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= -4.88! C(o=-5!,f=-12!) USER MOD Set 1.2: A 108 GLN : amide:sc= -0.0826 K(o=-5,f=-7.1!) USER MOD Set 2.1: A 34 GLN : amide:sc= -1.98! C(o=-1.8!,f=-1.4!) USER MOD Set 2.2: A 74 GLN : amide:sc= -0.314! X(o=-1.8!,f=-1.7) USER MOD Set 2.3: A 76 THR OG1 : rot -2:sc= 0.515 USER MOD Set 3.1: A 18 ASN :FLIP amide:sc= -0.255 F(o=-4.1,f=-2) USER MOD Set 3.2: A 43 ASN :FLIP amide:sc= -1.77! C(o=-2.2!,f=-2!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 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 :FLIP amide:sc= -0.0858 F(o=-1.1,f=-0.086) USER MOD Single : A 45 SER OG : rot 50:sc= 0.0319 USER MOD Single : A 48 THR OG1 : rot -63:sc= 0.917 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 -155:sc= -0.847 (180deg=-2.9!) USER MOD Single : A 59 HIS : no HE2:sc= -2.82! C(o=-2.8!,f=-7.9!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HE2:sc= -0.26 K(o=-0.26,f=-2.3!) USER MOD Single : A 66 HIS :FLIP no HE2:sc= -5.03! C(o=-7.2!,f=-5!) USER MOD Single : A 67 GLN : amide:sc= -1.44 K(o=-1.4,f=-4.9!) USER MOD Single : A 68 THR OG1 : rot 180:sc=-0.00657 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 75 THR OG1 : rot 180:sc= -0.116 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 SER OG : rot 180:sc= -0.67 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot -119:sc= -3.89! USER MOD Single : A 88 SER OG : rot -104:sc= 0.262 USER MOD Single : A 92 MET CE :methyl -145:sc= -6.55! (180deg=-7.2!) USER MOD Single : A 95 ASN : amide:sc= -13.3! C(o=-13!,f=-26!) 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 -172:sc= 1.21 USER MOD Single : A 103 SER OG : rot 89:sc= -0.677 USER MOD Single : A 106 SER OG : rot 180:sc= -1.01 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 132 N VAL A 13 -27.581 -10.367 -6.780 1.00 0.00 N ATOM 133 CA VAL A 13 -27.464 -8.929 -6.603 1.00 0.00 C ATOM 134 C VAL A 13 -25.991 -8.560 -6.416 1.00 0.00 C ATOM 135 O VAL A 13 -25.516 -8.440 -5.288 1.00 0.00 O ATOM 136 CB VAL A 13 -28.347 -8.473 -5.439 1.00 0.00 C ATOM 137 CG1 VAL A 13 -27.992 -9.224 -4.154 1.00 0.00 C ATOM 138 CG2 VAL A 13 -28.246 -6.960 -5.235 1.00 0.00 C ATOM 0 HA VAL A 13 -27.820 -8.404 -7.490 1.00 0.00 H new ATOM 0 HB VAL A 13 -29.381 -8.709 -5.690 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -28.634 -8.881 -3.343 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -28.139 -10.293 -4.305 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -26.950 -9.033 -3.897 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -28.883 -6.662 -4.402 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -27.213 -6.691 -5.016 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -28.570 -6.448 -6.141 1.00 0.00 H new ATOM 148 N TYR A 14 -25.310 -8.390 -7.540 1.00 0.00 N ATOM 149 CA TYR A 14 -23.901 -8.038 -7.515 1.00 0.00 C ATOM 150 C TYR A 14 -23.702 -6.611 -6.998 1.00 0.00 C ATOM 151 O TYR A 14 -24.646 -5.982 -6.523 1.00 0.00 O ATOM 152 CB TYR A 14 -23.422 -8.113 -8.966 1.00 0.00 C ATOM 153 CG TYR A 14 -23.652 -9.473 -9.628 1.00 0.00 C ATOM 154 CD1 TYR A 14 -22.750 -10.499 -9.428 1.00 0.00 C ATOM 155 CD2 TYR A 14 -24.761 -9.674 -10.424 1.00 0.00 C ATOM 156 CE1 TYR A 14 -22.967 -11.779 -10.051 1.00 0.00 C ATOM 157 CE2 TYR A 14 -24.977 -10.954 -11.047 1.00 0.00 C ATOM 158 CZ TYR A 14 -24.070 -11.944 -10.829 1.00 0.00 C ATOM 159 OH TYR A 14 -24.274 -13.153 -11.418 1.00 0.00 O ATOM 0 H TYR A 14 -25.708 -8.490 -8.474 1.00 0.00 H new ATOM 0 HA TYR A 14 -23.349 -8.709 -6.857 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -23.935 -7.346 -9.547 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -22.358 -7.880 -8.999 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -21.882 -10.342 -8.805 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -25.467 -8.871 -10.580 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -22.269 -12.590 -9.904 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -25.840 -11.124 -11.674 1.00 0.00 H new ATOM 0 HH TYR A 14 -25.101 -13.126 -11.943 1.00 0.00 H new ATOM 169 N ASP A 15 -22.467 -6.143 -7.107 1.00 0.00 N ATOM 170 CA ASP A 15 -22.132 -4.803 -6.657 1.00 0.00 C ATOM 171 C ASP A 15 -20.626 -4.717 -6.402 1.00 0.00 C ATOM 172 O ASP A 15 -20.198 -4.264 -5.342 1.00 0.00 O ATOM 173 CB ASP A 15 -22.853 -4.465 -5.350 1.00 0.00 C ATOM 174 CG ASP A 15 -24.146 -3.664 -5.514 1.00 0.00 C ATOM 175 OD1 ASP A 15 -24.277 -3.006 -6.568 1.00 0.00 O ATOM 176 OD2 ASP A 15 -24.975 -3.728 -4.580 1.00 0.00 O ATOM 0 H ASP A 15 -21.686 -6.668 -7.501 1.00 0.00 H new ATOM 0 HA ASP A 15 -22.440 -4.100 -7.431 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -23.082 -5.394 -4.828 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -22.172 -3.901 -4.712 1.00 0.00 H new ATOM 181 N VAL A 16 -19.865 -5.158 -7.392 1.00 0.00 N ATOM 182 CA VAL A 16 -18.416 -5.137 -7.289 1.00 0.00 C ATOM 183 C VAL A 16 -17.995 -5.756 -5.954 1.00 0.00 C ATOM 184 O VAL A 16 -18.809 -5.886 -5.042 1.00 0.00 O ATOM 185 CB VAL A 16 -17.899 -3.709 -7.474 1.00 0.00 C ATOM 186 CG1 VAL A 16 -18.142 -3.219 -8.904 1.00 0.00 C ATOM 187 CG2 VAL A 16 -18.532 -2.760 -6.455 1.00 0.00 C ATOM 0 H VAL A 16 -20.225 -5.532 -8.270 1.00 0.00 H new ATOM 0 HA VAL A 16 -17.968 -5.736 -8.082 1.00 0.00 H new ATOM 0 HB VAL A 16 -16.823 -3.717 -7.300 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -17.765 -2.202 -9.009 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -17.623 -3.872 -9.606 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -19.211 -3.234 -9.117 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -18.147 -1.752 -6.609 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -19.615 -2.759 -6.583 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -18.286 -3.092 -5.446 1.00 0.00 H new ATOM 197 N PRO A 17 -16.689 -6.130 -5.881 1.00 0.00 N ATOM 198 CA PRO A 17 -16.151 -6.733 -4.673 1.00 0.00 C ATOM 199 C PRO A 17 -15.946 -5.681 -3.580 1.00 0.00 C ATOM 200 O PRO A 17 -15.183 -4.734 -3.760 1.00 0.00 O ATOM 201 CB PRO A 17 -14.854 -7.396 -5.109 1.00 0.00 C ATOM 202 CG PRO A 17 -14.481 -6.750 -6.433 1.00 0.00 C ATOM 203 CD PRO A 17 -15.696 -5.991 -6.941 1.00 0.00 C ATOM 0 HA PRO A 17 -16.828 -7.464 -4.230 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -14.070 -7.246 -4.367 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -14.984 -8.472 -5.222 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -13.636 -6.074 -6.303 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -14.175 -7.508 -7.155 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -15.459 -4.943 -7.127 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -16.059 -6.408 -7.881 1.00 0.00 H new ATOM 211 N ASN A 18 -16.643 -5.884 -2.471 1.00 0.00 N ATOM 212 CA ASN A 18 -16.548 -4.966 -1.349 1.00 0.00 C ATOM 213 C ASN A 18 -15.089 -4.540 -1.167 1.00 0.00 C ATOM 214 O ASN A 18 -14.177 -5.222 -1.632 1.00 0.00 O ATOM 215 CB ASN A 18 -17.012 -5.631 -0.052 1.00 0.00 C ATOM 216 CG ASN A 18 -18.500 -5.371 0.194 1.00 0.00 C ATOM 217 OD1 ASN A 18 -19.267 -5.567 -0.874 1.00 0.00 O flip ATOM 218 ND2 ASN A 18 -18.923 -5.017 1.283 1.00 0.00 N flip ATOM 0 H ASN A 18 -17.276 -6.671 -2.326 1.00 0.00 H new ATOM 0 HA ASN A 18 -17.185 -4.107 -1.561 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -16.830 -6.704 -0.104 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -16.429 -5.249 0.786 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -18.278 -4.885 2.062 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -19.921 -4.853 1.414 1.00 0.00 H new ATOM 225 N PRO A 19 -14.910 -3.386 -0.470 1.00 0.00 N ATOM 226 CA PRO A 19 -13.578 -2.862 -0.220 1.00 0.00 C ATOM 227 C PRO A 19 -12.867 -3.669 0.868 1.00 0.00 C ATOM 228 O PRO A 19 -13.510 -4.210 1.766 1.00 0.00 O ATOM 229 CB PRO A 19 -13.794 -1.407 0.166 1.00 0.00 C ATOM 230 CG PRO A 19 -15.256 -1.295 0.568 1.00 0.00 C ATOM 231 CD PRO A 19 -15.967 -2.553 0.096 1.00 0.00 C ATOM 0 HA PRO A 19 -12.926 -2.937 -1.090 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.140 -1.120 0.989 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -13.566 -0.744 -0.668 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -15.348 -1.188 1.649 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -15.708 -0.410 0.120 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -16.469 -3.057 0.922 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -16.730 -2.321 -0.648 1.00 0.00 H new ATOM 239 N PRO A 20 -11.513 -3.727 0.748 1.00 0.00 N ATOM 240 CA PRO A 20 -10.707 -4.460 1.709 1.00 0.00 C ATOM 241 C PRO A 20 -10.592 -3.690 3.027 1.00 0.00 C ATOM 242 O PRO A 20 -10.875 -2.494 3.078 1.00 0.00 O ATOM 243 CB PRO A 20 -9.367 -4.666 1.023 1.00 0.00 C ATOM 244 CG PRO A 20 -9.314 -3.647 -0.103 1.00 0.00 C ATOM 245 CD PRO A 20 -10.717 -3.099 -0.303 1.00 0.00 C ATOM 0 HA PRO A 20 -11.149 -5.417 1.986 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -8.544 -4.519 1.722 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -9.279 -5.681 0.636 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -8.621 -2.842 0.143 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -8.951 -4.110 -1.020 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -10.734 -2.013 -0.217 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -11.102 -3.346 -1.292 1.00 0.00 H new ATOM 253 N PHE A 21 -10.175 -4.408 4.060 1.00 0.00 N ATOM 254 CA PHE A 21 -10.019 -3.807 5.374 1.00 0.00 C ATOM 255 C PHE A 21 -8.834 -4.423 6.120 1.00 0.00 C ATOM 256 O PHE A 21 -8.139 -5.285 5.585 1.00 0.00 O ATOM 257 CB PHE A 21 -11.303 -4.097 6.153 1.00 0.00 C ATOM 258 CG PHE A 21 -11.689 -5.577 6.189 1.00 0.00 C ATOM 259 CD1 PHE A 21 -12.468 -6.101 5.205 1.00 0.00 C ATOM 260 CD2 PHE A 21 -11.253 -6.369 7.205 1.00 0.00 C ATOM 261 CE1 PHE A 21 -12.826 -7.475 5.239 1.00 0.00 C ATOM 262 CE2 PHE A 21 -11.611 -7.743 7.239 1.00 0.00 C ATOM 263 CZ PHE A 21 -12.390 -8.267 6.255 1.00 0.00 C ATOM 0 H PHE A 21 -9.941 -5.400 4.014 1.00 0.00 H new ATOM 0 HA PHE A 21 -9.836 -2.737 5.275 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -11.184 -3.738 7.175 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -12.121 -3.530 5.709 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -12.814 -5.472 4.398 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -10.634 -5.953 7.986 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -13.445 -7.891 4.458 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -11.265 -8.372 8.046 1.00 0.00 H new ATOM 0 HZ PHE A 21 -12.662 -9.312 6.280 1.00 0.00 H new ATOM 273 N ASP A 22 -8.639 -3.955 7.344 1.00 0.00 N ATOM 274 CA ASP A 22 -7.550 -4.448 8.170 1.00 0.00 C ATOM 275 C ASP A 22 -6.216 -4.134 7.488 1.00 0.00 C ATOM 276 O ASP A 22 -5.181 -4.684 7.859 1.00 0.00 O ATOM 277 CB ASP A 22 -7.641 -5.964 8.353 1.00 0.00 C ATOM 278 CG ASP A 22 -7.565 -6.446 9.803 1.00 0.00 C ATOM 279 OD1 ASP A 22 -8.354 -5.919 10.618 1.00 0.00 O ATOM 280 OD2 ASP A 22 -6.721 -7.330 10.065 1.00 0.00 O ATOM 0 H ASP A 22 -9.217 -3.239 7.784 1.00 0.00 H new ATOM 0 HA ASP A 22 -7.618 -3.962 9.143 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.579 -6.312 7.919 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -6.835 -6.432 7.788 1.00 0.00 H new ATOM 285 N LEU A 23 -6.286 -3.251 6.503 1.00 0.00 N ATOM 286 CA LEU A 23 -5.097 -2.857 5.766 1.00 0.00 C ATOM 287 C LEU A 23 -3.926 -2.707 6.739 1.00 0.00 C ATOM 288 O LEU A 23 -4.009 -1.951 7.705 1.00 0.00 O ATOM 289 CB LEU A 23 -5.372 -1.600 4.937 1.00 0.00 C ATOM 290 CG LEU A 23 -5.272 -1.763 3.419 1.00 0.00 C ATOM 291 CD1 LEU A 23 -6.477 -2.528 2.869 1.00 0.00 C ATOM 292 CD2 LEU A 23 -5.092 -0.407 2.734 1.00 0.00 C ATOM 0 H LEU A 23 -7.147 -2.797 6.198 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.820 -3.630 5.049 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.372 -1.241 5.179 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.671 -0.824 5.246 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.386 -2.357 3.196 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.381 -2.630 1.788 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.519 -3.517 3.324 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.391 -1.983 3.102 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.024 -0.550 1.656 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.945 0.232 2.962 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.179 0.065 3.096 1.00 0.00 H new ATOM 304 N GLU A 24 -2.860 -3.440 6.449 1.00 0.00 N ATOM 305 CA GLU A 24 -1.674 -3.399 7.287 1.00 0.00 C ATOM 306 C GLU A 24 -0.414 -3.348 6.419 1.00 0.00 C ATOM 307 O GLU A 24 -0.477 -3.576 5.213 1.00 0.00 O ATOM 308 CB GLU A 24 -1.634 -4.594 8.241 1.00 0.00 C ATOM 309 CG GLU A 24 -1.557 -4.130 9.697 1.00 0.00 C ATOM 310 CD GLU A 24 -2.933 -4.187 10.364 1.00 0.00 C ATOM 311 OE1 GLU A 24 -3.285 -5.286 10.845 1.00 0.00 O ATOM 312 OE2 GLU A 24 -3.601 -3.131 10.378 1.00 0.00 O ATOM 0 H GLU A 24 -2.794 -4.065 5.646 1.00 0.00 H new ATOM 0 HA GLU A 24 -1.712 -2.494 7.893 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.523 -5.208 8.098 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -0.773 -5.221 8.009 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.856 -4.759 10.246 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.171 -3.111 9.738 1.00 0.00 H new ATOM 319 N LEU A 25 0.701 -3.046 7.069 1.00 0.00 N ATOM 320 CA LEU A 25 1.973 -2.962 6.372 1.00 0.00 C ATOM 321 C LEU A 25 3.027 -3.755 7.146 1.00 0.00 C ATOM 322 O LEU A 25 3.379 -3.396 8.269 1.00 0.00 O ATOM 323 CB LEU A 25 2.357 -1.500 6.133 1.00 0.00 C ATOM 324 CG LEU A 25 1.666 -0.809 4.956 1.00 0.00 C ATOM 325 CD1 LEU A 25 1.209 0.600 5.339 1.00 0.00 C ATOM 326 CD2 LEU A 25 2.565 -0.804 3.718 1.00 0.00 C ATOM 0 H LEU A 25 0.750 -2.857 8.070 1.00 0.00 H new ATOM 0 HA LEU A 25 1.896 -3.414 5.383 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.139 -0.935 7.039 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.435 -1.449 5.977 1.00 0.00 H new ATOM 0 HG LEU A 25 0.772 -1.379 4.702 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.721 1.069 4.485 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.507 0.541 6.171 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.073 1.195 5.635 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.050 -0.307 2.896 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.489 -0.271 3.942 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.797 -1.830 3.433 1.00 0.00 H new ATOM 445 N VAL A 33 8.366 -2.956 0.498 1.00 0.00 N ATOM 446 CA VAL A 33 7.470 -3.332 1.579 1.00 0.00 C ATOM 447 C VAL A 33 6.284 -4.109 1.005 1.00 0.00 C ATOM 448 O VAL A 33 5.872 -3.872 -0.130 1.00 0.00 O ATOM 449 CB VAL A 33 7.047 -2.089 2.364 1.00 0.00 C ATOM 450 CG1 VAL A 33 6.188 -1.162 1.501 1.00 0.00 C ATOM 451 CG2 VAL A 33 6.315 -2.476 3.650 1.00 0.00 C ATOM 0 HA VAL A 33 7.978 -3.989 2.285 1.00 0.00 H new ATOM 0 HB VAL A 33 7.950 -1.545 2.643 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.901 -0.286 2.083 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.758 -0.846 0.627 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.292 -1.692 1.177 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.025 -1.574 4.189 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.424 -3.053 3.402 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.974 -3.078 4.277 1.00 0.00 H new ATOM 461 N GLN A 34 5.768 -5.022 1.814 1.00 0.00 N ATOM 462 CA GLN A 34 4.638 -5.836 1.401 1.00 0.00 C ATOM 463 C GLN A 34 3.346 -5.308 2.029 1.00 0.00 C ATOM 464 O GLN A 34 3.238 -5.214 3.251 1.00 0.00 O ATOM 465 CB GLN A 34 4.860 -7.306 1.760 1.00 0.00 C ATOM 466 CG GLN A 34 3.637 -8.151 1.397 1.00 0.00 C ATOM 467 CD GLN A 34 4.023 -9.617 1.193 1.00 0.00 C ATOM 468 OE1 GLN A 34 4.409 -10.318 2.114 1.00 0.00 O ATOM 469 NE2 GLN A 34 3.900 -10.039 -0.062 1.00 0.00 N ATOM 0 H GLN A 34 6.112 -5.216 2.754 1.00 0.00 H new ATOM 0 HA GLN A 34 4.546 -5.771 0.317 1.00 0.00 H new ATOM 0 HB2 GLN A 34 5.737 -7.684 1.234 1.00 0.00 H new ATOM 0 HB3 GLN A 34 5.065 -7.396 2.827 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.890 -8.075 2.188 1.00 0.00 H new ATOM 0 HG3 GLN A 34 3.179 -7.762 0.488 1.00 0.00 H new ATOM 0 HE21 GLN A 34 3.571 -9.399 -0.785 1.00 0.00 H new ATOM 0 HE22 GLN A 34 4.135 -11.002 -0.301 1.00 0.00 H new ATOM 478 N LEU A 35 2.398 -4.976 1.164 1.00 0.00 N ATOM 479 CA LEU A 35 1.118 -4.460 1.619 1.00 0.00 C ATOM 480 C LEU A 35 0.105 -5.605 1.684 1.00 0.00 C ATOM 481 O LEU A 35 -0.300 -6.139 0.653 1.00 0.00 O ATOM 482 CB LEU A 35 0.669 -3.291 0.739 1.00 0.00 C ATOM 483 CG LEU A 35 -0.737 -2.752 1.006 1.00 0.00 C ATOM 484 CD1 LEU A 35 -0.773 -1.927 2.294 1.00 0.00 C ATOM 485 CD2 LEU A 35 -1.260 -1.963 -0.195 1.00 0.00 C ATOM 0 H LEU A 35 2.491 -5.054 0.151 1.00 0.00 H new ATOM 0 HA LEU A 35 1.207 -4.055 2.627 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.380 -2.474 0.864 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.724 -3.605 -0.303 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.406 -3.601 1.149 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.784 -1.556 2.460 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.473 -2.552 3.135 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.087 -1.084 2.206 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.261 -1.591 0.022 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.596 -1.122 -0.395 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.296 -2.613 -1.069 1.00 0.00 H new ATOM 497 N SER A 36 -0.274 -5.948 2.906 1.00 0.00 N ATOM 498 CA SER A 36 -1.232 -7.020 3.119 1.00 0.00 C ATOM 499 C SER A 36 -2.633 -6.438 3.317 1.00 0.00 C ATOM 500 O SER A 36 -2.880 -5.720 4.286 1.00 0.00 O ATOM 501 CB SER A 36 -0.839 -7.878 4.323 1.00 0.00 C ATOM 502 OG SER A 36 0.557 -8.164 4.342 1.00 0.00 O ATOM 0 H SER A 36 0.065 -5.503 3.759 1.00 0.00 H new ATOM 0 HA SER A 36 -1.232 -7.659 2.236 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.116 -7.361 5.242 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.400 -8.812 4.301 1.00 0.00 H new ATOM 0 HG SER A 36 0.768 -8.712 5.127 1.00 0.00 H new ATOM 508 N TRP A 37 -3.513 -6.768 2.385 1.00 0.00 N ATOM 509 CA TRP A 37 -4.883 -6.288 2.444 1.00 0.00 C ATOM 510 C TRP A 37 -5.802 -7.498 2.626 1.00 0.00 C ATOM 511 O TRP A 37 -5.392 -8.633 2.389 1.00 0.00 O ATOM 512 CB TRP A 37 -5.227 -5.456 1.207 1.00 0.00 C ATOM 513 CG TRP A 37 -5.099 -6.221 -0.112 1.00 0.00 C ATOM 514 CD1 TRP A 37 -6.044 -6.918 -0.757 1.00 0.00 C ATOM 515 CD2 TRP A 37 -3.912 -6.338 -0.926 1.00 0.00 C ATOM 516 NE1 TRP A 37 -5.556 -7.474 -1.922 1.00 0.00 N ATOM 517 CE2 TRP A 37 -4.219 -7.109 -2.028 1.00 0.00 C ATOM 518 CE3 TRP A 37 -2.623 -5.809 -0.737 1.00 0.00 C ATOM 519 CZ2 TRP A 37 -3.289 -7.422 -3.027 1.00 0.00 C ATOM 520 CZ3 TRP A 37 -1.706 -6.130 -1.744 1.00 0.00 C ATOM 521 CH2 TRP A 37 -1.998 -6.906 -2.860 1.00 0.00 C ATOM 0 H TRP A 37 -3.304 -7.363 1.583 1.00 0.00 H new ATOM 0 HA TRP A 37 -5.020 -5.617 3.292 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -6.248 -5.086 1.303 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -4.573 -4.584 1.175 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -7.060 -7.031 -0.409 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -6.080 -8.047 -2.583 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -2.361 -5.203 0.118 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -3.553 -8.029 -3.880 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -0.700 -5.748 -1.647 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -1.233 -7.110 -3.594 1.00 0.00 H new ATOM 532 N THR A 38 -7.027 -7.214 3.043 1.00 0.00 N ATOM 533 CA THR A 38 -8.006 -8.265 3.259 1.00 0.00 C ATOM 534 C THR A 38 -9.226 -8.049 2.362 1.00 0.00 C ATOM 535 O THR A 38 -10.000 -7.116 2.574 1.00 0.00 O ATOM 536 CB THR A 38 -8.347 -8.295 4.750 1.00 0.00 C ATOM 537 OG1 THR A 38 -7.123 -8.667 5.378 1.00 0.00 O ATOM 538 CG2 THR A 38 -9.309 -9.430 5.108 1.00 0.00 C ATOM 0 H THR A 38 -7.364 -6.271 3.237 1.00 0.00 H new ATOM 0 HA THR A 38 -7.606 -9.241 2.983 1.00 0.00 H new ATOM 0 HB THR A 38 -8.787 -7.341 5.041 1.00 0.00 H new ATOM 0 HG1 THR A 38 -7.253 -8.709 6.348 1.00 0.00 H new ATOM 0 HG21 THR A 38 -9.518 -9.406 6.177 1.00 0.00 H new ATOM 0 HG22 THR A 38 -10.239 -9.307 4.554 1.00 0.00 H new ATOM 0 HG23 THR A 38 -8.856 -10.387 4.848 1.00 0.00 H new ATOM 546 N PRO A 39 -9.364 -8.949 1.352 1.00 0.00 N ATOM 547 CA PRO A 39 -10.477 -8.866 0.421 1.00 0.00 C ATOM 548 C PRO A 39 -11.774 -9.348 1.074 1.00 0.00 C ATOM 549 O PRO A 39 -11.956 -10.545 1.292 1.00 0.00 O ATOM 550 CB PRO A 39 -10.059 -9.715 -0.768 1.00 0.00 C ATOM 551 CG PRO A 39 -8.939 -10.613 -0.267 1.00 0.00 C ATOM 552 CD PRO A 39 -8.467 -10.066 1.070 1.00 0.00 C ATOM 0 HA PRO A 39 -10.689 -7.844 0.108 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -10.896 -10.306 -1.140 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -9.719 -9.090 -1.594 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -9.292 -11.638 -0.157 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -8.117 -10.634 -0.983 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -8.523 -10.825 1.850 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.429 -9.737 1.019 1.00 0.00 H new ATOM 560 N GLY A 40 -12.643 -8.391 1.366 1.00 0.00 N ATOM 561 CA GLY A 40 -13.918 -8.703 1.989 1.00 0.00 C ATOM 562 C GLY A 40 -14.804 -9.518 1.045 1.00 0.00 C ATOM 563 O GLY A 40 -14.303 -10.275 0.216 1.00 0.00 O ATOM 0 H GLY A 40 -12.489 -7.399 1.183 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -13.750 -9.262 2.909 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -14.427 -7.780 2.265 1.00 0.00 H new ATOM 567 N ASP A 41 -16.107 -9.335 1.203 1.00 0.00 N ATOM 568 CA ASP A 41 -17.068 -10.044 0.376 1.00 0.00 C ATOM 569 C ASP A 41 -16.768 -9.766 -1.098 1.00 0.00 C ATOM 570 O ASP A 41 -16.027 -8.839 -1.421 1.00 0.00 O ATOM 571 CB ASP A 41 -18.495 -9.576 0.665 1.00 0.00 C ATOM 572 CG ASP A 41 -18.880 -9.548 2.146 1.00 0.00 C ATOM 573 OD1 ASP A 41 -18.016 -9.933 2.963 1.00 0.00 O ATOM 574 OD2 ASP A 41 -20.028 -9.141 2.426 1.00 0.00 O ATOM 0 H ASP A 41 -16.519 -8.706 1.892 1.00 0.00 H new ATOM 0 HA ASP A 41 -16.986 -11.108 0.600 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -18.623 -8.575 0.253 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -19.189 -10.230 0.137 1.00 0.00 H new ATOM 579 N ASP A 42 -17.361 -10.586 -1.955 1.00 0.00 N ATOM 580 CA ASP A 42 -17.167 -10.439 -3.387 1.00 0.00 C ATOM 581 C ASP A 42 -18.483 -10.006 -4.034 1.00 0.00 C ATOM 582 O ASP A 42 -18.493 -9.515 -5.162 1.00 0.00 O ATOM 583 CB ASP A 42 -16.741 -11.764 -4.023 1.00 0.00 C ATOM 584 CG ASP A 42 -15.888 -12.666 -3.129 1.00 0.00 C ATOM 585 OD1 ASP A 42 -15.060 -12.104 -2.380 1.00 0.00 O ATOM 586 OD2 ASP A 42 -16.084 -13.898 -3.214 1.00 0.00 O ATOM 0 H ASP A 42 -17.976 -11.354 -1.684 1.00 0.00 H new ATOM 0 HA ASP A 42 -16.387 -9.694 -3.547 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -17.636 -12.312 -4.318 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -16.183 -11.549 -4.935 1.00 0.00 H new ATOM 591 N ASN A 43 -19.563 -10.203 -3.292 1.00 0.00 N ATOM 592 CA ASN A 43 -20.883 -9.838 -3.780 1.00 0.00 C ATOM 593 C ASN A 43 -21.192 -10.637 -5.048 1.00 0.00 C ATOM 594 O ASN A 43 -21.274 -10.072 -6.137 1.00 0.00 O ATOM 595 CB ASN A 43 -20.949 -8.351 -4.131 1.00 0.00 C ATOM 596 CG ASN A 43 -21.085 -7.496 -2.869 1.00 0.00 C ATOM 597 OD1 ASN A 43 -20.217 -7.805 -1.910 1.00 0.00 O flip ATOM 598 ND2 ASN A 43 -21.922 -6.614 -2.773 1.00 0.00 N flip ATOM 0 H ASN A 43 -19.551 -10.610 -2.357 1.00 0.00 H new ATOM 0 HA ASN A 43 -21.605 -10.055 -2.993 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -20.050 -8.062 -4.676 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -21.796 -8.167 -4.793 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -22.559 -6.428 -3.548 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -21.985 -6.062 -1.918 1.00 0.00 H new ATOM 605 N ASN A 44 -21.355 -11.939 -4.864 1.00 0.00 N ATOM 606 CA ASN A 44 -21.653 -12.821 -5.979 1.00 0.00 C ATOM 607 C ASN A 44 -20.436 -12.896 -6.904 1.00 0.00 C ATOM 608 O ASN A 44 -19.868 -13.969 -7.103 1.00 0.00 O ATOM 609 CB ASN A 44 -22.836 -12.296 -6.796 1.00 0.00 C ATOM 610 CG ASN A 44 -24.127 -12.332 -5.976 1.00 0.00 C ATOM 611 OD1 ASN A 44 -24.605 -11.130 -5.666 1.00 0.00 O flip ATOM 612 ND2 ASN A 44 -24.655 -13.382 -5.646 1.00 0.00 N flip ATOM 0 H ASN A 44 -21.286 -12.404 -3.959 1.00 0.00 H new ATOM 0 HA ASN A 44 -21.901 -13.803 -5.575 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -22.635 -11.275 -7.119 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -22.956 -12.898 -7.697 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -24.235 -14.271 -5.917 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -25.516 -13.370 -5.099 1.00 0.00 H new ATOM 619 N SER A 45 -20.072 -11.743 -7.445 1.00 0.00 N ATOM 620 CA SER A 45 -18.934 -11.664 -8.344 1.00 0.00 C ATOM 621 C SER A 45 -17.632 -11.814 -7.554 1.00 0.00 C ATOM 622 O SER A 45 -17.308 -10.971 -6.719 1.00 0.00 O ATOM 623 CB SER A 45 -18.934 -10.345 -9.120 1.00 0.00 C ATOM 624 OG SER A 45 -19.801 -10.391 -10.250 1.00 0.00 O ATOM 0 H SER A 45 -20.546 -10.855 -7.278 1.00 0.00 H new ATOM 0 HA SER A 45 -19.011 -12.478 -9.065 1.00 0.00 H new ATOM 0 HB2 SER A 45 -19.243 -9.535 -8.459 1.00 0.00 H new ATOM 0 HB3 SER A 45 -17.920 -10.118 -9.450 1.00 0.00 H new ATOM 0 HG SER A 45 -20.678 -10.731 -9.976 1.00 0.00 H new ATOM 630 N PRO A 46 -16.902 -12.922 -7.854 1.00 0.00 N ATOM 631 CA PRO A 46 -15.643 -13.193 -7.181 1.00 0.00 C ATOM 632 C PRO A 46 -14.534 -12.279 -7.704 1.00 0.00 C ATOM 633 O PRO A 46 -14.502 -11.952 -8.890 1.00 0.00 O ATOM 634 CB PRO A 46 -15.369 -14.666 -7.438 1.00 0.00 C ATOM 635 CG PRO A 46 -16.237 -15.051 -8.625 1.00 0.00 C ATOM 636 CD PRO A 46 -17.255 -13.942 -8.837 1.00 0.00 C ATOM 0 HA PRO A 46 -15.686 -12.990 -6.111 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.314 -14.835 -7.655 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -15.615 -15.267 -6.563 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -15.626 -15.184 -9.518 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -16.740 -16.000 -8.439 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -17.205 -13.548 -9.852 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -18.272 -14.304 -8.685 1.00 0.00 H new ATOM 644 N ILE A 47 -13.651 -11.892 -6.795 1.00 0.00 N ATOM 645 CA ILE A 47 -12.543 -11.022 -7.150 1.00 0.00 C ATOM 646 C ILE A 47 -11.689 -11.702 -8.222 1.00 0.00 C ATOM 647 O ILE A 47 -11.561 -12.925 -8.234 1.00 0.00 O ATOM 648 CB ILE A 47 -11.757 -10.619 -5.901 1.00 0.00 C ATOM 649 CG1 ILE A 47 -11.750 -9.100 -5.723 1.00 0.00 C ATOM 650 CG2 ILE A 47 -10.341 -11.199 -5.934 1.00 0.00 C ATOM 651 CD1 ILE A 47 -11.160 -8.406 -6.953 1.00 0.00 C ATOM 0 H ILE A 47 -13.681 -12.165 -5.813 1.00 0.00 H new ATOM 0 HA ILE A 47 -12.912 -10.091 -7.580 1.00 0.00 H new ATOM 0 HB ILE A 47 -12.259 -11.042 -5.031 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -12.767 -8.745 -5.554 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.169 -8.837 -4.839 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -9.803 -10.898 -5.035 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -10.394 -12.287 -5.978 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -9.815 -10.826 -6.813 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -11.167 -7.327 -6.800 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -10.135 -8.744 -7.105 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.757 -8.652 -7.831 1.00 0.00 H new ATOM 663 N THR A 48 -11.127 -10.880 -9.095 1.00 0.00 N ATOM 664 CA THR A 48 -10.288 -11.386 -10.168 1.00 0.00 C ATOM 665 C THR A 48 -8.925 -10.692 -10.153 1.00 0.00 C ATOM 666 O THR A 48 -7.918 -11.286 -10.535 1.00 0.00 O ATOM 667 CB THR A 48 -11.047 -11.208 -11.485 1.00 0.00 C ATOM 668 OG1 THR A 48 -11.171 -9.796 -11.625 1.00 0.00 O ATOM 669 CG2 THR A 48 -12.492 -11.703 -11.399 1.00 0.00 C ATOM 0 H THR A 48 -11.236 -9.866 -9.081 1.00 0.00 H new ATOM 0 HA THR A 48 -10.077 -12.448 -10.038 1.00 0.00 H new ATOM 0 HB THR A 48 -10.527 -11.743 -12.279 1.00 0.00 H new ATOM 0 HG1 THR A 48 -11.711 -9.440 -10.889 1.00 0.00 H new ATOM 0 HG21 THR A 48 -12.985 -11.554 -12.359 1.00 0.00 H new ATOM 0 HG22 THR A 48 -12.499 -12.764 -11.148 1.00 0.00 H new ATOM 0 HG23 THR A 48 -13.023 -11.145 -10.628 1.00 0.00 H new ATOM 677 N LYS A 49 -8.937 -9.444 -9.708 1.00 0.00 N ATOM 678 CA LYS A 49 -7.714 -8.663 -9.639 1.00 0.00 C ATOM 679 C LYS A 49 -7.810 -7.676 -8.473 1.00 0.00 C ATOM 680 O LYS A 49 -8.906 -7.356 -8.015 1.00 0.00 O ATOM 681 CB LYS A 49 -7.427 -7.997 -10.986 1.00 0.00 C ATOM 682 CG LYS A 49 -6.823 -6.604 -10.791 1.00 0.00 C ATOM 683 CD LYS A 49 -6.427 -5.986 -12.133 1.00 0.00 C ATOM 684 CE LYS A 49 -7.660 -5.701 -12.991 1.00 0.00 C ATOM 685 NZ LYS A 49 -7.494 -6.274 -14.346 1.00 0.00 N ATOM 0 H LYS A 49 -9.774 -8.955 -9.392 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.859 -9.310 -9.441 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.741 -8.617 -11.564 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.349 -7.920 -11.562 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.543 -5.959 -10.288 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -5.948 -6.670 -10.145 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -5.876 -5.061 -11.963 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.758 -6.662 -12.665 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -8.546 -6.124 -12.517 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -7.820 -4.625 -13.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -8.341 -6.071 -14.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -6.661 -5.851 -14.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.364 -7.303 -14.274 1.00 0.00 H new ATOM 699 N PHE A 50 -6.648 -7.223 -8.026 1.00 0.00 N ATOM 700 CA PHE A 50 -6.587 -6.280 -6.922 1.00 0.00 C ATOM 701 C PHE A 50 -5.599 -5.150 -7.221 1.00 0.00 C ATOM 702 O PHE A 50 -4.387 -5.345 -7.147 1.00 0.00 O ATOM 703 CB PHE A 50 -6.101 -7.056 -5.697 1.00 0.00 C ATOM 704 CG PHE A 50 -7.186 -7.900 -5.025 1.00 0.00 C ATOM 705 CD1 PHE A 50 -8.245 -7.294 -4.425 1.00 0.00 C ATOM 706 CD2 PHE A 50 -7.091 -9.257 -5.027 1.00 0.00 C ATOM 707 CE1 PHE A 50 -9.252 -8.078 -3.801 1.00 0.00 C ATOM 708 CE2 PHE A 50 -8.097 -10.040 -4.404 1.00 0.00 C ATOM 709 CZ PHE A 50 -9.157 -9.434 -3.804 1.00 0.00 C ATOM 0 H PHE A 50 -5.741 -7.491 -8.408 1.00 0.00 H new ATOM 0 HA PHE A 50 -7.568 -5.835 -6.758 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -5.280 -7.708 -5.995 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -5.700 -6.351 -4.969 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -8.321 -6.217 -4.423 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -6.250 -9.739 -5.503 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -10.093 -7.597 -3.324 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -8.021 -11.117 -4.406 1.00 0.00 H new ATOM 0 HZ PHE A 50 -9.923 -10.030 -3.330 1.00 0.00 H new ATOM 719 N ILE A 51 -6.154 -3.993 -7.551 1.00 0.00 N ATOM 720 CA ILE A 51 -5.337 -2.833 -7.861 1.00 0.00 C ATOM 721 C ILE A 51 -5.054 -2.056 -6.573 1.00 0.00 C ATOM 722 O ILE A 51 -5.804 -2.159 -5.604 1.00 0.00 O ATOM 723 CB ILE A 51 -5.996 -1.990 -8.955 1.00 0.00 C ATOM 724 CG1 ILE A 51 -6.280 -2.833 -10.200 1.00 0.00 C ATOM 725 CG2 ILE A 51 -5.152 -0.756 -9.279 1.00 0.00 C ATOM 726 CD1 ILE A 51 -7.782 -2.900 -10.486 1.00 0.00 C ATOM 0 H ILE A 51 -7.160 -3.834 -7.610 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.374 -3.143 -8.266 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.956 -1.634 -8.581 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.761 -2.406 -11.059 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.888 -3.840 -10.059 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.643 -0.174 -10.059 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -5.044 -0.144 -8.384 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -4.167 -1.069 -9.625 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -7.956 -3.505 -11.376 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -8.295 -3.349 -9.635 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -8.166 -1.893 -10.651 1.00 0.00 H new ATOM 738 N ILE A 52 -3.969 -1.295 -6.605 1.00 0.00 N ATOM 739 CA ILE A 52 -3.578 -0.502 -5.453 1.00 0.00 C ATOM 740 C ILE A 52 -3.291 0.933 -5.901 1.00 0.00 C ATOM 741 O ILE A 52 -2.687 1.151 -6.950 1.00 0.00 O ATOM 742 CB ILE A 52 -2.408 -1.162 -4.720 1.00 0.00 C ATOM 743 CG1 ILE A 52 -2.854 -2.450 -4.025 1.00 0.00 C ATOM 744 CG2 ILE A 52 -1.750 -0.183 -3.745 1.00 0.00 C ATOM 745 CD1 ILE A 52 -2.133 -3.666 -4.611 1.00 0.00 C ATOM 0 H ILE A 52 -3.349 -1.211 -7.411 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.392 -0.455 -4.729 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.654 -1.438 -5.457 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.649 -2.381 -2.957 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.931 -2.573 -4.136 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.922 -0.677 -3.237 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.376 0.681 -4.294 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.483 0.145 -3.008 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.468 -4.569 -4.100 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.360 -3.746 -5.674 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.057 -3.551 -4.477 1.00 0.00 H new ATOM 757 N GLU A 53 -3.739 1.875 -5.084 1.00 0.00 N ATOM 758 CA GLU A 53 -3.538 3.283 -5.383 1.00 0.00 C ATOM 759 C GLU A 53 -3.002 4.016 -4.151 1.00 0.00 C ATOM 760 O GLU A 53 -3.310 3.643 -3.020 1.00 0.00 O ATOM 761 CB GLU A 53 -4.832 3.926 -5.884 1.00 0.00 C ATOM 762 CG GLU A 53 -5.256 3.331 -7.228 1.00 0.00 C ATOM 763 CD GLU A 53 -6.029 4.355 -8.062 1.00 0.00 C ATOM 764 OE1 GLU A 53 -7.241 4.505 -7.797 1.00 0.00 O ATOM 765 OE2 GLU A 53 -5.389 4.965 -8.946 1.00 0.00 O ATOM 0 H GLU A 53 -4.241 1.691 -4.215 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.798 3.364 -6.180 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.624 3.777 -5.150 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.691 5.002 -5.987 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.375 3.000 -7.777 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.876 2.451 -7.060 1.00 0.00 H new ATOM 772 N TYR A 54 -2.210 5.045 -4.413 1.00 0.00 N ATOM 773 CA TYR A 54 -1.628 5.833 -3.341 1.00 0.00 C ATOM 774 C TYR A 54 -1.742 7.330 -3.636 1.00 0.00 C ATOM 775 O TYR A 54 -1.844 7.732 -4.795 1.00 0.00 O ATOM 776 CB TYR A 54 -0.148 5.447 -3.288 1.00 0.00 C ATOM 777 CG TYR A 54 0.712 6.132 -4.352 1.00 0.00 C ATOM 778 CD1 TYR A 54 1.293 7.356 -4.087 1.00 0.00 C ATOM 779 CD2 TYR A 54 0.907 5.526 -5.577 1.00 0.00 C ATOM 780 CE1 TYR A 54 2.102 8.000 -5.089 1.00 0.00 C ATOM 781 CE2 TYR A 54 1.716 6.171 -6.578 1.00 0.00 C ATOM 782 CZ TYR A 54 2.274 7.376 -6.285 1.00 0.00 C ATOM 783 OH TYR A 54 3.038 7.985 -7.231 1.00 0.00 O ATOM 0 H TYR A 54 -1.958 5.351 -5.353 1.00 0.00 H new ATOM 0 HA TYR A 54 -2.144 5.640 -2.400 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.246 5.694 -2.302 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.060 4.367 -3.405 1.00 0.00 H new ATOM 0 HD1 TYR A 54 1.141 7.830 -3.129 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.453 4.568 -5.784 1.00 0.00 H new ATOM 0 HE1 TYR A 54 2.562 8.958 -4.895 1.00 0.00 H new ATOM 0 HE2 TYR A 54 1.876 5.708 -7.540 1.00 0.00 H new ATOM 0 HH TYR A 54 3.074 7.424 -8.034 1.00 0.00 H new ATOM 793 N GLU A 55 -1.721 8.115 -2.569 1.00 0.00 N ATOM 794 CA GLU A 55 -1.821 9.559 -2.700 1.00 0.00 C ATOM 795 C GLU A 55 -0.713 10.242 -1.895 1.00 0.00 C ATOM 796 O GLU A 55 -0.341 9.772 -0.821 1.00 0.00 O ATOM 797 CB GLU A 55 -3.201 10.054 -2.264 1.00 0.00 C ATOM 798 CG GLU A 55 -3.465 9.720 -0.794 1.00 0.00 C ATOM 799 CD GLU A 55 -3.675 10.993 0.028 1.00 0.00 C ATOM 800 OE1 GLU A 55 -2.659 11.673 0.291 1.00 0.00 O ATOM 801 OE2 GLU A 55 -4.846 11.257 0.376 1.00 0.00 O ATOM 0 H GLU A 55 -1.636 7.779 -1.610 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.693 9.820 -3.751 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.269 11.132 -2.413 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.969 9.597 -2.888 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -4.345 9.082 -0.715 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.625 9.156 -0.389 1.00 0.00 H new ATOM 808 N ASP A 56 -0.218 11.341 -2.446 1.00 0.00 N ATOM 809 CA ASP A 56 0.840 12.094 -1.793 1.00 0.00 C ATOM 810 C ASP A 56 0.219 13.212 -0.952 1.00 0.00 C ATOM 811 O ASP A 56 -0.456 14.091 -1.484 1.00 0.00 O ATOM 812 CB ASP A 56 1.773 12.737 -2.820 1.00 0.00 C ATOM 813 CG ASP A 56 3.066 13.318 -2.245 1.00 0.00 C ATOM 814 OD1 ASP A 56 2.955 14.089 -1.267 1.00 0.00 O ATOM 815 OD2 ASP A 56 4.135 12.979 -2.795 1.00 0.00 O ATOM 0 H ASP A 56 -0.530 11.728 -3.337 1.00 0.00 H new ATOM 0 HA ASP A 56 1.410 11.405 -1.171 1.00 0.00 H new ATOM 0 HB2 ASP A 56 2.031 11.991 -3.572 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.232 13.532 -3.333 1.00 0.00 H new ATOM 820 N ALA A 57 0.471 13.141 0.346 1.00 0.00 N ATOM 821 CA ALA A 57 -0.054 14.137 1.266 1.00 0.00 C ATOM 822 C ALA A 57 0.975 15.256 1.441 1.00 0.00 C ATOM 823 O ALA A 57 0.679 16.287 2.043 1.00 0.00 O ATOM 824 CB ALA A 57 -0.417 13.466 2.592 1.00 0.00 C ATOM 0 H ALA A 57 1.032 12.410 0.783 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.964 14.586 0.868 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -0.811 14.213 3.282 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.172 12.700 2.417 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.473 13.007 3.023 1.00 0.00 H new ATOM 830 N MET A 58 2.161 15.015 0.903 1.00 0.00 N ATOM 831 CA MET A 58 3.235 15.990 0.992 1.00 0.00 C ATOM 832 C MET A 58 3.233 16.921 -0.222 1.00 0.00 C ATOM 833 O MET A 58 3.924 17.938 -0.230 1.00 0.00 O ATOM 834 CB MET A 58 4.579 15.263 1.075 1.00 0.00 C ATOM 835 CG MET A 58 5.737 16.216 0.775 1.00 0.00 C ATOM 836 SD MET A 58 7.295 15.367 0.976 1.00 0.00 S ATOM 837 CE MET A 58 7.023 14.593 2.562 1.00 0.00 C ATOM 0 H MET A 58 2.402 14.159 0.404 1.00 0.00 H new ATOM 0 HA MET A 58 3.081 16.591 1.888 1.00 0.00 H new ATOM 0 HB2 MET A 58 4.704 14.835 2.070 1.00 0.00 H new ATOM 0 HB3 MET A 58 4.593 14.434 0.367 1.00 0.00 H new ATOM 0 HG2 MET A 58 5.650 16.598 -0.242 1.00 0.00 H new ATOM 0 HG3 MET A 58 5.693 17.076 1.443 1.00 0.00 H new ATOM 0 HE1 MET A 58 7.982 14.406 3.045 1.00 0.00 H new ATOM 0 HE2 MET A 58 6.423 15.251 3.190 1.00 0.00 H new ATOM 0 HE3 MET A 58 6.498 13.648 2.421 1.00 0.00 H new ATOM 847 N HIS A 59 2.447 16.540 -1.218 1.00 0.00 N ATOM 848 CA HIS A 59 2.345 17.328 -2.435 1.00 0.00 C ATOM 849 C HIS A 59 0.872 17.585 -2.758 1.00 0.00 C ATOM 850 O HIS A 59 0.357 18.671 -2.501 1.00 0.00 O ATOM 851 CB HIS A 59 3.096 16.652 -3.584 1.00 0.00 C ATOM 852 CG HIS A 59 4.575 16.481 -3.335 1.00 0.00 C ATOM 853 ND1 HIS A 59 5.079 15.636 -2.362 1.00 0.00 N ATOM 854 CD2 HIS A 59 5.654 17.054 -3.943 1.00 0.00 C ATOM 855 CE1 HIS A 59 6.402 15.706 -2.391 1.00 0.00 C ATOM 856 NE2 HIS A 59 6.756 16.586 -3.371 1.00 0.00 N ATOM 0 H HIS A 59 1.875 15.696 -1.207 1.00 0.00 H new ATOM 0 HA HIS A 59 2.822 18.297 -2.287 1.00 0.00 H new ATOM 0 HB2 HIS A 59 2.653 15.673 -3.767 1.00 0.00 H new ATOM 0 HB3 HIS A 59 2.956 17.240 -4.491 1.00 0.00 H new ATOM 0 HD1 HIS A 59 4.526 15.057 -1.730 1.00 0.00 H new ATOM 0 HD2 HIS A 59 5.617 17.768 -4.753 1.00 0.00 H new ATOM 0 HE1 HIS A 59 7.081 15.162 -1.751 1.00 0.00 H new ATOM 864 N LYS A 60 0.236 16.566 -3.318 1.00 0.00 N ATOM 865 CA LYS A 60 -1.167 16.667 -3.679 1.00 0.00 C ATOM 866 C LYS A 60 -1.968 15.626 -2.895 1.00 0.00 C ATOM 867 O LYS A 60 -2.078 14.476 -3.317 1.00 0.00 O ATOM 868 CB LYS A 60 -1.339 16.561 -5.196 1.00 0.00 C ATOM 869 CG LYS A 60 -0.831 17.823 -5.895 1.00 0.00 C ATOM 870 CD LYS A 60 -1.948 18.493 -6.698 1.00 0.00 C ATOM 871 CE LYS A 60 -2.019 17.926 -8.117 1.00 0.00 C ATOM 872 NZ LYS A 60 -3.392 18.049 -8.656 1.00 0.00 N ATOM 0 H LYS A 60 0.667 15.666 -3.530 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.561 17.645 -3.404 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.796 15.692 -5.567 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.391 16.406 -5.436 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.442 18.521 -5.154 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.004 17.568 -6.558 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.903 18.343 -6.194 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -1.775 19.568 -6.740 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.320 18.457 -8.763 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.716 16.879 -8.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -3.423 17.659 -9.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -4.052 17.523 -8.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -3.667 19.052 -8.679 1.00 0.00 H new ATOM 886 N PRO A 61 -2.522 16.078 -1.738 1.00 0.00 N ATOM 887 CA PRO A 61 -3.309 15.199 -0.891 1.00 0.00 C ATOM 888 C PRO A 61 -4.692 14.949 -1.496 1.00 0.00 C ATOM 889 O PRO A 61 -5.319 15.868 -2.021 1.00 0.00 O ATOM 890 CB PRO A 61 -3.367 15.899 0.457 1.00 0.00 C ATOM 891 CG PRO A 61 -3.011 17.352 0.187 1.00 0.00 C ATOM 892 CD PRO A 61 -2.413 17.434 -1.207 1.00 0.00 C ATOM 0 HA PRO A 61 -2.869 14.207 -0.790 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -4.360 15.816 0.898 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -2.667 15.450 1.161 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.898 17.982 0.260 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -2.300 17.715 0.929 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -2.954 18.147 -1.829 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -1.375 17.764 -1.174 1.00 0.00 H new ATOM 900 N GLY A 62 -5.128 13.702 -1.402 1.00 0.00 N ATOM 901 CA GLY A 62 -6.425 13.320 -1.933 1.00 0.00 C ATOM 902 C GLY A 62 -6.302 12.818 -3.373 1.00 0.00 C ATOM 903 O GLY A 62 -7.263 12.297 -3.937 1.00 0.00 O ATOM 0 H GLY A 62 -4.606 12.942 -0.966 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.862 12.541 -1.309 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.102 14.174 -1.898 1.00 0.00 H new ATOM 907 N LEU A 63 -5.112 12.994 -3.927 1.00 0.00 N ATOM 908 CA LEU A 63 -4.851 12.566 -5.291 1.00 0.00 C ATOM 909 C LEU A 63 -4.252 11.159 -5.273 1.00 0.00 C ATOM 910 O LEU A 63 -3.071 10.986 -4.974 1.00 0.00 O ATOM 911 CB LEU A 63 -3.983 13.595 -6.018 1.00 0.00 C ATOM 912 CG LEU A 63 -3.996 13.523 -7.547 1.00 0.00 C ATOM 913 CD1 LEU A 63 -5.374 13.888 -8.101 1.00 0.00 C ATOM 914 CD2 LEU A 63 -2.888 14.392 -8.146 1.00 0.00 C ATOM 0 H LEU A 63 -4.317 13.427 -3.456 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.780 12.510 -5.858 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.307 14.591 -5.718 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.954 13.479 -5.677 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.793 12.494 -7.843 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.356 13.829 -9.189 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.118 13.193 -7.712 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.631 14.903 -7.797 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.919 14.323 -9.233 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.035 15.429 -7.844 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.919 14.044 -7.788 1.00 0.00 H new ATOM 926 N TRP A 64 -5.093 10.188 -5.598 1.00 0.00 N ATOM 927 CA TRP A 64 -4.661 8.801 -5.623 1.00 0.00 C ATOM 928 C TRP A 64 -4.276 8.452 -7.062 1.00 0.00 C ATOM 929 O TRP A 64 -4.956 8.854 -8.006 1.00 0.00 O ATOM 930 CB TRP A 64 -5.742 7.880 -5.053 1.00 0.00 C ATOM 931 CG TRP A 64 -6.205 8.260 -3.646 1.00 0.00 C ATOM 932 CD1 TRP A 64 -7.006 9.272 -3.286 1.00 0.00 C ATOM 933 CD2 TRP A 64 -5.859 7.588 -2.416 1.00 0.00 C ATOM 934 NE1 TRP A 64 -7.202 9.302 -1.920 1.00 0.00 N ATOM 935 CE2 TRP A 64 -6.482 8.245 -1.374 1.00 0.00 C ATOM 936 CE3 TRP A 64 -5.048 6.462 -2.192 1.00 0.00 C ATOM 937 CZ2 TRP A 64 -6.358 7.851 -0.037 1.00 0.00 C ATOM 938 CZ3 TRP A 64 -4.934 6.082 -0.849 1.00 0.00 C ATOM 939 CH2 TRP A 64 -5.554 6.732 0.211 1.00 0.00 C ATOM 0 H TRP A 64 -6.071 10.335 -5.846 1.00 0.00 H new ATOM 0 HA TRP A 64 -3.789 8.657 -4.985 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -6.602 7.889 -5.722 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -5.362 6.858 -5.036 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -7.444 9.976 -3.978 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -7.770 9.975 -1.406 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -4.552 5.932 -2.992 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -6.856 8.382 0.761 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -4.321 5.223 -0.621 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -5.416 6.376 1.221 1.00 0.00 H new ATOM 950 N HIS A 65 -3.187 7.707 -7.186 1.00 0.00 N ATOM 951 CA HIS A 65 -2.704 7.299 -8.494 1.00 0.00 C ATOM 952 C HIS A 65 -2.645 5.772 -8.566 1.00 0.00 C ATOM 953 O HIS A 65 -2.947 5.089 -7.589 1.00 0.00 O ATOM 954 CB HIS A 65 -1.359 7.960 -8.806 1.00 0.00 C ATOM 955 CG HIS A 65 -1.388 9.468 -8.749 1.00 0.00 C ATOM 956 ND1 HIS A 65 -1.623 10.256 -9.863 1.00 0.00 N ATOM 957 CD2 HIS A 65 -1.211 10.325 -7.703 1.00 0.00 C ATOM 958 CE1 HIS A 65 -1.585 11.527 -9.492 1.00 0.00 C ATOM 959 NE2 HIS A 65 -1.329 11.568 -8.153 1.00 0.00 N ATOM 0 H HIS A 65 -2.626 7.375 -6.402 1.00 0.00 H new ATOM 0 HA HIS A 65 -3.397 7.637 -9.264 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -0.614 7.594 -8.100 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -1.036 7.650 -9.800 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -1.796 9.916 -10.809 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -1.009 10.040 -6.681 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -1.731 12.381 -10.137 1.00 0.00 H new ATOM 967 N HIS A 66 -2.254 5.282 -9.733 1.00 0.00 N ATOM 968 CA HIS A 66 -2.153 3.848 -9.946 1.00 0.00 C ATOM 969 C HIS A 66 -0.782 3.356 -9.478 1.00 0.00 C ATOM 970 O HIS A 66 0.248 3.870 -9.911 1.00 0.00 O ATOM 971 CB HIS A 66 -2.443 3.493 -11.406 1.00 0.00 C ATOM 972 CG HIS A 66 -3.404 2.342 -11.578 1.00 0.00 C ATOM 973 ND1 HIS A 66 -4.748 2.330 -11.812 1.00 0.00 N flip ATOM 974 CD2 HIS A 66 -3.007 1.017 -11.514 1.00 0.00 C flip ATOM 975 CE1 HIS A 66 -5.150 1.067 -11.888 1.00 0.00 C flip ATOM 976 NE2 HIS A 66 -4.072 0.252 -11.704 1.00 0.00 N flip ATOM 0 H HIS A 66 -2.003 5.852 -10.541 1.00 0.00 H new ATOM 0 HA HIS A 66 -2.908 3.334 -9.351 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -2.849 4.371 -11.909 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -1.505 3.247 -11.903 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -5.343 3.152 -11.912 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -2.000 0.667 -11.339 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -6.163 0.739 -12.066 1.00 0.00 H new ATOM 984 N GLN A 67 -0.813 2.365 -8.598 1.00 0.00 N ATOM 985 CA GLN A 67 0.415 1.798 -8.067 1.00 0.00 C ATOM 986 C GLN A 67 0.722 0.463 -8.749 1.00 0.00 C ATOM 987 O GLN A 67 1.620 0.382 -9.585 1.00 0.00 O ATOM 988 CB GLN A 67 0.328 1.630 -6.548 1.00 0.00 C ATOM 989 CG GLN A 67 1.569 0.920 -6.004 1.00 0.00 C ATOM 990 CD GLN A 67 2.416 1.870 -5.154 1.00 0.00 C ATOM 991 OE1 GLN A 67 2.061 3.012 -4.913 1.00 0.00 O ATOM 992 NE2 GLN A 67 3.552 1.336 -4.714 1.00 0.00 N ATOM 0 H GLN A 67 -1.669 1.941 -8.240 1.00 0.00 H new ATOM 0 HA GLN A 67 1.232 2.488 -8.278 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.227 2.607 -6.075 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.564 1.058 -6.292 1.00 0.00 H new ATOM 0 HG2 GLN A 67 1.267 0.061 -5.405 1.00 0.00 H new ATOM 0 HG3 GLN A 67 2.166 0.537 -6.832 1.00 0.00 H new ATOM 0 HE21 GLN A 67 3.789 0.373 -4.953 1.00 0.00 H new ATOM 0 HE22 GLN A 67 4.186 1.889 -4.138 1.00 0.00 H new ATOM 1001 N THR A 68 -0.041 -0.550 -8.367 1.00 0.00 N ATOM 1002 CA THR A 68 0.138 -1.877 -8.932 1.00 0.00 C ATOM 1003 C THR A 68 -1.085 -2.749 -8.643 1.00 0.00 C ATOM 1004 O THR A 68 -1.810 -2.509 -7.679 1.00 0.00 O ATOM 1005 CB THR A 68 1.442 -2.454 -8.377 1.00 0.00 C ATOM 1006 OG1 THR A 68 1.600 -3.686 -9.075 1.00 0.00 O ATOM 1007 CG2 THR A 68 1.321 -2.870 -6.910 1.00 0.00 C ATOM 0 H THR A 68 -0.785 -0.479 -7.673 1.00 0.00 H new ATOM 0 HA THR A 68 0.219 -1.838 -10.018 1.00 0.00 H new ATOM 0 HB THR A 68 2.238 -1.717 -8.480 1.00 0.00 H new ATOM 0 HG1 THR A 68 2.423 -4.127 -8.778 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.274 -3.273 -6.566 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.055 -2.002 -6.307 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.548 -3.632 -6.810 1.00 0.00 H new ATOM 1015 N GLU A 69 -1.276 -3.745 -9.495 1.00 0.00 N ATOM 1016 CA GLU A 69 -2.399 -4.655 -9.343 1.00 0.00 C ATOM 1017 C GLU A 69 -1.929 -6.105 -9.482 1.00 0.00 C ATOM 1018 O GLU A 69 -0.944 -6.380 -10.165 1.00 0.00 O ATOM 1019 CB GLU A 69 -3.502 -4.338 -10.354 1.00 0.00 C ATOM 1020 CG GLU A 69 -2.945 -4.289 -11.778 1.00 0.00 C ATOM 1021 CD GLU A 69 -3.318 -2.975 -12.468 1.00 0.00 C ATOM 1022 OE1 GLU A 69 -4.491 -2.867 -12.885 1.00 0.00 O ATOM 1023 OE2 GLU A 69 -2.421 -2.109 -12.563 1.00 0.00 O ATOM 0 H GLU A 69 -0.672 -3.942 -10.293 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.817 -4.522 -8.345 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.285 -5.094 -10.292 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.962 -3.381 -10.107 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.860 -4.395 -11.752 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.334 -5.129 -12.353 1.00 0.00 H new ATOM 1030 N VAL A 70 -2.657 -6.994 -8.821 1.00 0.00 N ATOM 1031 CA VAL A 70 -2.327 -8.409 -8.862 1.00 0.00 C ATOM 1032 C VAL A 70 -3.591 -9.214 -9.171 1.00 0.00 C ATOM 1033 O VAL A 70 -4.650 -8.641 -9.420 1.00 0.00 O ATOM 1034 CB VAL A 70 -1.657 -8.828 -7.552 1.00 0.00 C ATOM 1035 CG1 VAL A 70 -0.164 -8.496 -7.569 1.00 0.00 C ATOM 1036 CG2 VAL A 70 -2.349 -8.179 -6.351 1.00 0.00 C ATOM 0 H VAL A 70 -3.473 -6.762 -8.255 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.610 -8.611 -9.658 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.759 -9.909 -7.454 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.288 -8.804 -6.626 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.317 -9.025 -8.392 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.032 -7.422 -7.701 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.854 -8.493 -5.432 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.293 -7.094 -6.441 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.394 -8.487 -6.323 1.00 0.00 H new ATOM 1046 N SER A 71 -3.437 -10.529 -9.146 1.00 0.00 N ATOM 1047 CA SER A 71 -4.553 -11.419 -9.420 1.00 0.00 C ATOM 1048 C SER A 71 -5.646 -11.228 -8.367 1.00 0.00 C ATOM 1049 O SER A 71 -5.494 -10.425 -7.448 1.00 0.00 O ATOM 1050 CB SER A 71 -4.097 -12.879 -9.454 1.00 0.00 C ATOM 1051 OG SER A 71 -4.754 -13.620 -10.479 1.00 0.00 O ATOM 0 H SER A 71 -2.556 -11.000 -8.940 1.00 0.00 H new ATOM 0 HA SER A 71 -4.956 -11.170 -10.401 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.019 -12.919 -9.612 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.295 -13.343 -8.488 1.00 0.00 H new ATOM 0 HG SER A 71 -4.434 -14.546 -10.469 1.00 0.00 H new ATOM 1057 N GLY A 72 -6.723 -11.980 -8.536 1.00 0.00 N ATOM 1058 CA GLY A 72 -7.842 -11.904 -7.611 1.00 0.00 C ATOM 1059 C GLY A 72 -7.687 -12.920 -6.478 1.00 0.00 C ATOM 1060 O GLY A 72 -8.595 -13.095 -5.668 1.00 0.00 O ATOM 0 H GLY A 72 -6.845 -12.645 -9.300 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.908 -10.898 -7.196 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.774 -12.090 -8.146 1.00 0.00 H new ATOM 1064 N THR A 73 -6.528 -13.564 -6.458 1.00 0.00 N ATOM 1065 CA THR A 73 -6.243 -14.558 -5.438 1.00 0.00 C ATOM 1066 C THR A 73 -5.108 -14.080 -4.530 1.00 0.00 C ATOM 1067 O THR A 73 -4.816 -14.706 -3.512 1.00 0.00 O ATOM 1068 CB THR A 73 -5.941 -15.883 -6.140 1.00 0.00 C ATOM 1069 OG1 THR A 73 -7.118 -16.661 -5.934 1.00 0.00 O ATOM 1070 CG2 THR A 73 -4.840 -16.681 -5.439 1.00 0.00 C ATOM 0 H THR A 73 -5.777 -13.416 -7.132 1.00 0.00 H new ATOM 0 HA THR A 73 -7.101 -14.709 -4.783 1.00 0.00 H new ATOM 0 HB THR A 73 -5.646 -15.688 -7.171 1.00 0.00 H new ATOM 0 HG1 THR A 73 -7.009 -17.537 -6.359 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.666 -17.612 -5.978 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.921 -16.095 -5.421 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.148 -16.906 -4.418 1.00 0.00 H new ATOM 1078 N GLN A 74 -4.498 -12.974 -4.931 1.00 0.00 N ATOM 1079 CA GLN A 74 -3.402 -12.404 -4.166 1.00 0.00 C ATOM 1080 C GLN A 74 -3.942 -11.490 -3.064 1.00 0.00 C ATOM 1081 O GLN A 74 -5.073 -11.015 -3.146 1.00 0.00 O ATOM 1082 CB GLN A 74 -2.431 -11.650 -5.077 1.00 0.00 C ATOM 1083 CG GLN A 74 -1.101 -12.396 -5.197 1.00 0.00 C ATOM 1084 CD GLN A 74 -0.052 -11.802 -4.254 1.00 0.00 C ATOM 1085 OE1 GLN A 74 -0.052 -12.037 -3.057 1.00 0.00 O ATOM 1086 NE2 GLN A 74 0.838 -11.021 -4.859 1.00 0.00 N ATOM 0 H GLN A 74 -4.742 -12.457 -5.776 1.00 0.00 H new ATOM 0 HA GLN A 74 -2.850 -13.219 -3.697 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -2.874 -11.528 -6.065 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.257 -10.650 -4.680 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -1.249 -13.450 -4.964 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -0.742 -12.344 -6.225 1.00 0.00 H new ATOM 0 HE21 GLN A 74 0.780 -10.866 -5.866 1.00 0.00 H new ATOM 0 HE22 GLN A 74 1.579 -10.576 -4.317 1.00 0.00 H new ATOM 1095 N THR A 75 -3.107 -11.272 -2.059 1.00 0.00 N ATOM 1096 CA THR A 75 -3.486 -10.423 -0.942 1.00 0.00 C ATOM 1097 C THR A 75 -2.268 -9.666 -0.410 1.00 0.00 C ATOM 1098 O THR A 75 -2.312 -9.101 0.682 1.00 0.00 O ATOM 1099 CB THR A 75 -4.163 -11.302 0.112 1.00 0.00 C ATOM 1100 OG1 THR A 75 -3.088 -12.033 0.696 1.00 0.00 O ATOM 1101 CG2 THR A 75 -5.052 -12.381 -0.510 1.00 0.00 C ATOM 0 H THR A 75 -2.169 -11.668 -1.995 1.00 0.00 H new ATOM 0 HA THR A 75 -4.196 -9.656 -1.252 1.00 0.00 H new ATOM 0 HB THR A 75 -4.760 -10.678 0.777 1.00 0.00 H new ATOM 0 HG1 THR A 75 -3.437 -12.628 1.392 1.00 0.00 H new ATOM 0 HG21 THR A 75 -5.508 -12.977 0.281 1.00 0.00 H new ATOM 0 HG22 THR A 75 -5.833 -11.910 -1.106 1.00 0.00 H new ATOM 0 HG23 THR A 75 -4.448 -13.026 -1.148 1.00 0.00 H new ATOM 1109 N THR A 76 -1.209 -9.678 -1.207 1.00 0.00 N ATOM 1110 CA THR A 76 0.019 -8.999 -0.830 1.00 0.00 C ATOM 1111 C THR A 76 0.803 -8.584 -2.076 1.00 0.00 C ATOM 1112 O THR A 76 0.992 -9.385 -2.990 1.00 0.00 O ATOM 1113 CB THR A 76 0.804 -9.924 0.102 1.00 0.00 C ATOM 1114 OG1 THR A 76 0.999 -11.108 -0.668 1.00 0.00 O ATOM 1115 CG2 THR A 76 -0.027 -10.391 1.299 1.00 0.00 C ATOM 0 H THR A 76 -1.176 -10.147 -2.112 1.00 0.00 H new ATOM 0 HA THR A 76 -0.190 -8.074 -0.293 1.00 0.00 H new ATOM 0 HB THR A 76 1.696 -9.409 0.458 1.00 0.00 H new ATOM 0 HG1 THR A 76 0.564 -11.006 -1.540 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.577 -11.045 1.928 1.00 0.00 H new ATOM 0 HG22 THR A 76 -0.349 -9.526 1.878 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.902 -10.936 0.944 1.00 0.00 H new ATOM 1123 N ALA A 77 1.239 -7.333 -2.073 1.00 0.00 N ATOM 1124 CA ALA A 77 1.999 -6.802 -3.192 1.00 0.00 C ATOM 1125 C ALA A 77 3.064 -5.837 -2.668 1.00 0.00 C ATOM 1126 O ALA A 77 2.832 -5.118 -1.698 1.00 0.00 O ATOM 1127 CB ALA A 77 1.046 -6.134 -4.185 1.00 0.00 C ATOM 0 H ALA A 77 1.080 -6.671 -1.313 1.00 0.00 H new ATOM 0 HA ALA A 77 2.513 -7.604 -3.722 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.616 -5.736 -5.024 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.328 -6.868 -4.550 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.515 -5.322 -3.689 1.00 0.00 H new ATOM 1133 N GLN A 78 4.210 -5.854 -3.333 1.00 0.00 N ATOM 1134 CA GLN A 78 5.312 -4.989 -2.946 1.00 0.00 C ATOM 1135 C GLN A 78 5.017 -3.542 -3.345 1.00 0.00 C ATOM 1136 O GLN A 78 4.559 -3.282 -4.457 1.00 0.00 O ATOM 1137 CB GLN A 78 6.628 -5.470 -3.561 1.00 0.00 C ATOM 1138 CG GLN A 78 7.400 -6.354 -2.581 1.00 0.00 C ATOM 1139 CD GLN A 78 8.260 -7.378 -3.326 1.00 0.00 C ATOM 1140 OE1 GLN A 78 9.396 -7.124 -3.692 1.00 0.00 O ATOM 1141 NE2 GLN A 78 7.657 -8.545 -3.529 1.00 0.00 N ATOM 0 H GLN A 78 4.399 -6.453 -4.137 1.00 0.00 H new ATOM 0 HA GLN A 78 5.418 -5.032 -1.862 1.00 0.00 H new ATOM 0 HB2 GLN A 78 6.424 -6.027 -4.476 1.00 0.00 H new ATOM 0 HB3 GLN A 78 7.238 -4.611 -3.840 1.00 0.00 H new ATOM 0 HG2 GLN A 78 8.034 -5.733 -1.948 1.00 0.00 H new ATOM 0 HG3 GLN A 78 6.701 -6.871 -1.923 1.00 0.00 H new ATOM 0 HE21 GLN A 78 6.704 -8.691 -3.196 1.00 0.00 H new ATOM 0 HE22 GLN A 78 8.147 -9.294 -4.018 1.00 0.00 H new ATOM 1150 N LEU A 79 5.291 -2.638 -2.416 1.00 0.00 N ATOM 1151 CA LEU A 79 5.060 -1.224 -2.657 1.00 0.00 C ATOM 1152 C LEU A 79 6.402 -0.490 -2.684 1.00 0.00 C ATOM 1153 O LEU A 79 7.174 -0.564 -1.729 1.00 0.00 O ATOM 1154 CB LEU A 79 4.072 -0.660 -1.634 1.00 0.00 C ATOM 1155 CG LEU A 79 2.698 -1.332 -1.588 1.00 0.00 C ATOM 1156 CD1 LEU A 79 1.649 -0.395 -0.988 1.00 0.00 C ATOM 1157 CD2 LEU A 79 2.289 -1.840 -2.972 1.00 0.00 C ATOM 0 H LEU A 79 5.671 -2.857 -1.495 1.00 0.00 H new ATOM 0 HA LEU A 79 4.594 -1.075 -3.631 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.523 -0.732 -0.644 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.929 0.400 -1.843 1.00 0.00 H new ATOM 0 HG LEU A 79 2.765 -2.201 -0.933 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.682 -0.897 -0.967 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.940 -0.126 0.027 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.576 0.507 -1.596 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.309 -2.313 -2.911 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.245 -1.003 -3.669 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.021 -2.567 -3.324 1.00 0.00 H new ATOM 1169 N ASN A 80 6.640 0.202 -3.789 1.00 0.00 N ATOM 1170 CA ASN A 80 7.876 0.948 -3.953 1.00 0.00 C ATOM 1171 C ASN A 80 7.767 2.277 -3.202 1.00 0.00 C ATOM 1172 O ASN A 80 7.039 3.175 -3.623 1.00 0.00 O ATOM 1173 CB ASN A 80 8.140 1.259 -5.428 1.00 0.00 C ATOM 1174 CG ASN A 80 9.642 1.317 -5.715 1.00 0.00 C ATOM 1175 OD1 ASN A 80 10.271 2.361 -5.660 1.00 0.00 O ATOM 1176 ND2 ASN A 80 10.179 0.141 -6.024 1.00 0.00 N ATOM 0 H ASN A 80 5.998 0.262 -4.579 1.00 0.00 H new ATOM 0 HA ASN A 80 8.692 0.340 -3.561 1.00 0.00 H new ATOM 0 HB2 ASN A 80 7.676 0.496 -6.053 1.00 0.00 H new ATOM 0 HB3 ASN A 80 7.679 2.211 -5.691 1.00 0.00 H new ATOM 0 HD21 ASN A 80 11.175 0.074 -6.233 1.00 0.00 H new ATOM 0 HD22 ASN A 80 9.595 -0.695 -6.052 1.00 0.00 H new ATOM 1183 N LEU A 81 8.503 2.361 -2.103 1.00 0.00 N ATOM 1184 CA LEU A 81 8.498 3.565 -1.290 1.00 0.00 C ATOM 1185 C LEU A 81 9.824 4.306 -1.476 1.00 0.00 C ATOM 1186 O LEU A 81 10.860 3.684 -1.704 1.00 0.00 O ATOM 1187 CB LEU A 81 8.183 3.225 0.168 1.00 0.00 C ATOM 1188 CG LEU A 81 6.990 2.296 0.398 1.00 0.00 C ATOM 1189 CD1 LEU A 81 6.608 2.250 1.879 1.00 0.00 C ATOM 1190 CD2 LEU A 81 5.807 2.693 -0.487 1.00 0.00 C ATOM 0 H LEU A 81 9.106 1.615 -1.757 1.00 0.00 H new ATOM 0 HA LEU A 81 7.706 4.241 -1.614 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.066 2.766 0.612 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.002 4.155 0.706 1.00 0.00 H new ATOM 0 HG LEU A 81 7.283 1.286 0.110 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.757 1.582 2.015 1.00 0.00 H new ATOM 0 HD12 LEU A 81 7.453 1.884 2.462 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.341 3.251 2.217 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.972 2.016 -0.304 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.505 3.714 -0.254 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.100 2.632 -1.535 1.00 0.00 H new ATOM 1202 N SER A 82 9.747 5.625 -1.373 1.00 0.00 N ATOM 1203 CA SER A 82 10.928 6.457 -1.527 1.00 0.00 C ATOM 1204 C SER A 82 11.291 7.104 -0.189 1.00 0.00 C ATOM 1205 O SER A 82 10.604 6.899 0.810 1.00 0.00 O ATOM 1206 CB SER A 82 10.708 7.532 -2.594 1.00 0.00 C ATOM 1207 OG SER A 82 11.663 7.442 -3.647 1.00 0.00 O ATOM 0 H SER A 82 8.885 6.138 -1.185 1.00 0.00 H new ATOM 0 HA SER A 82 11.753 5.823 -1.852 1.00 0.00 H new ATOM 0 HB2 SER A 82 9.704 7.434 -3.006 1.00 0.00 H new ATOM 0 HB3 SER A 82 10.768 8.518 -2.133 1.00 0.00 H new ATOM 0 HG SER A 82 11.488 8.144 -4.308 1.00 0.00 H new ATOM 1213 N PRO A 83 12.400 7.891 -0.213 1.00 0.00 N ATOM 1214 CA PRO A 83 12.863 8.569 0.986 1.00 0.00 C ATOM 1215 C PRO A 83 11.974 9.770 1.314 1.00 0.00 C ATOM 1216 O PRO A 83 11.027 9.652 2.091 1.00 0.00 O ATOM 1217 CB PRO A 83 14.301 8.958 0.687 1.00 0.00 C ATOM 1218 CG PRO A 83 14.443 8.900 -0.825 1.00 0.00 C ATOM 1219 CD PRO A 83 13.239 8.157 -1.378 1.00 0.00 C ATOM 0 HA PRO A 83 12.812 7.938 1.873 1.00 0.00 H new ATOM 0 HB2 PRO A 83 14.521 9.958 1.062 1.00 0.00 H new ATOM 0 HB3 PRO A 83 14.999 8.275 1.171 1.00 0.00 H new ATOM 0 HG2 PRO A 83 14.496 9.906 -1.242 1.00 0.00 H new ATOM 0 HG3 PRO A 83 15.366 8.391 -1.102 1.00 0.00 H new ATOM 0 HD2 PRO A 83 12.710 8.757 -2.119 1.00 0.00 H new ATOM 0 HD3 PRO A 83 13.537 7.232 -1.871 1.00 0.00 H new ATOM 1227 N TYR A 84 12.311 10.898 0.707 1.00 0.00 N ATOM 1228 CA TYR A 84 11.555 12.120 0.925 1.00 0.00 C ATOM 1229 C TYR A 84 10.246 12.105 0.133 1.00 0.00 C ATOM 1230 O TYR A 84 10.201 12.565 -1.007 1.00 0.00 O ATOM 1231 CB TYR A 84 12.436 13.259 0.409 1.00 0.00 C ATOM 1232 CG TYR A 84 13.908 13.137 0.808 1.00 0.00 C ATOM 1233 CD1 TYR A 84 14.346 13.669 2.004 1.00 0.00 C ATOM 1234 CD2 TYR A 84 14.799 12.494 -0.028 1.00 0.00 C ATOM 1235 CE1 TYR A 84 15.731 13.554 2.380 1.00 0.00 C ATOM 1236 CE2 TYR A 84 16.184 12.379 0.348 1.00 0.00 C ATOM 1237 CZ TYR A 84 16.582 12.914 1.533 1.00 0.00 C ATOM 1238 OH TYR A 84 17.890 12.806 1.888 1.00 0.00 O ATOM 0 H TYR A 84 13.097 10.992 0.064 1.00 0.00 H new ATOM 0 HA TYR A 84 11.303 12.231 1.980 1.00 0.00 H new ATOM 0 HB2 TYR A 84 12.367 13.294 -0.678 1.00 0.00 H new ATOM 0 HB3 TYR A 84 12.046 14.205 0.784 1.00 0.00 H new ATOM 0 HD1 TYR A 84 13.649 14.172 2.658 1.00 0.00 H new ATOM 0 HD2 TYR A 84 14.457 12.077 -0.964 1.00 0.00 H new ATOM 0 HE1 TYR A 84 16.086 13.966 3.313 1.00 0.00 H new ATOM 0 HE2 TYR A 84 16.891 11.879 -0.297 1.00 0.00 H new ATOM 0 HH TYR A 84 18.380 12.325 1.189 1.00 0.00 H new ATOM 1248 N VAL A 85 9.213 11.570 0.768 1.00 0.00 N ATOM 1249 CA VAL A 85 7.907 11.489 0.136 1.00 0.00 C ATOM 1250 C VAL A 85 6.899 10.912 1.132 1.00 0.00 C ATOM 1251 O VAL A 85 7.216 9.985 1.875 1.00 0.00 O ATOM 1252 CB VAL A 85 8.001 10.677 -1.158 1.00 0.00 C ATOM 1253 CG1 VAL A 85 8.922 9.468 -0.980 1.00 0.00 C ATOM 1254 CG2 VAL A 85 6.614 10.244 -1.635 1.00 0.00 C ATOM 0 H VAL A 85 9.254 11.189 1.713 1.00 0.00 H new ATOM 0 HA VAL A 85 7.556 12.482 -0.144 1.00 0.00 H new ATOM 0 HB VAL A 85 8.434 11.318 -1.926 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.972 8.908 -1.914 1.00 0.00 H new ATOM 0 HG12 VAL A 85 9.921 9.809 -0.708 1.00 0.00 H new ATOM 0 HG13 VAL A 85 8.530 8.825 -0.192 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.709 9.669 -2.556 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.142 9.628 -0.870 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.001 11.126 -1.820 1.00 0.00 H new ATOM 1264 N ASN A 86 5.705 11.485 1.115 1.00 0.00 N ATOM 1265 CA ASN A 86 4.648 11.039 2.007 1.00 0.00 C ATOM 1266 C ASN A 86 3.420 10.651 1.182 1.00 0.00 C ATOM 1267 O ASN A 86 3.161 11.239 0.133 1.00 0.00 O ATOM 1268 CB ASN A 86 4.236 12.152 2.972 1.00 0.00 C ATOM 1269 CG ASN A 86 3.076 11.704 3.864 1.00 0.00 C ATOM 1270 OD1 ASN A 86 2.807 10.526 4.030 1.00 0.00 O ATOM 1271 ND2 ASN A 86 2.407 12.707 4.425 1.00 0.00 N ATOM 0 H ASN A 86 5.446 12.254 0.498 1.00 0.00 H new ATOM 0 HA ASN A 86 5.024 10.189 2.576 1.00 0.00 H new ATOM 0 HB2 ASN A 86 5.087 12.435 3.591 1.00 0.00 H new ATOM 0 HB3 ASN A 86 3.944 13.038 2.408 1.00 0.00 H new ATOM 0 HD21 ASN A 86 1.615 12.512 5.037 1.00 0.00 H new ATOM 0 HD22 ASN A 86 2.686 13.671 4.243 1.00 0.00 H new ATOM 1278 N TYR A 87 2.695 9.663 1.687 1.00 0.00 N ATOM 1279 CA TYR A 87 1.500 9.189 1.009 1.00 0.00 C ATOM 1280 C TYR A 87 0.866 8.022 1.768 1.00 0.00 C ATOM 1281 O TYR A 87 1.316 7.667 2.856 1.00 0.00 O ATOM 1282 CB TYR A 87 1.961 8.699 -0.365 1.00 0.00 C ATOM 1283 CG TYR A 87 3.243 7.865 -0.330 1.00 0.00 C ATOM 1284 CD1 TYR A 87 3.273 6.674 0.366 1.00 0.00 C ATOM 1285 CD2 TYR A 87 4.370 8.304 -0.995 1.00 0.00 C ATOM 1286 CE1 TYR A 87 4.480 5.889 0.398 1.00 0.00 C ATOM 1287 CE2 TYR A 87 5.577 7.520 -0.963 1.00 0.00 C ATOM 1288 CZ TYR A 87 5.573 6.351 -0.268 1.00 0.00 C ATOM 1289 OH TYR A 87 6.713 5.610 -0.237 1.00 0.00 O ATOM 0 H TYR A 87 2.912 9.178 2.558 1.00 0.00 H new ATOM 0 HA TYR A 87 0.756 9.983 0.941 1.00 0.00 H new ATOM 0 HB2 TYR A 87 1.165 8.104 -0.813 1.00 0.00 H new ATOM 0 HB3 TYR A 87 2.118 9.561 -1.013 1.00 0.00 H new ATOM 0 HD1 TYR A 87 2.391 6.330 0.887 1.00 0.00 H new ATOM 0 HD2 TYR A 87 4.346 9.236 -1.540 1.00 0.00 H new ATOM 0 HE1 TYR A 87 4.517 4.955 0.938 1.00 0.00 H new ATOM 0 HE2 TYR A 87 6.465 7.853 -1.479 1.00 0.00 H new ATOM 0 HH TYR A 87 7.431 6.132 0.179 1.00 0.00 H new ATOM 1299 N SER A 88 -0.168 7.457 1.164 1.00 0.00 N ATOM 1300 CA SER A 88 -0.869 6.337 1.769 1.00 0.00 C ATOM 1301 C SER A 88 -0.926 5.164 0.788 1.00 0.00 C ATOM 1302 O SER A 88 -0.377 5.241 -0.310 1.00 0.00 O ATOM 1303 CB SER A 88 -2.281 6.738 2.199 1.00 0.00 C ATOM 1304 OG SER A 88 -3.281 5.998 1.505 1.00 0.00 O ATOM 0 H SER A 88 -0.538 7.754 0.261 1.00 0.00 H new ATOM 0 HA SER A 88 -0.320 6.031 2.660 1.00 0.00 H new ATOM 0 HB2 SER A 88 -2.392 6.580 3.272 1.00 0.00 H new ATOM 0 HB3 SER A 88 -2.427 7.803 2.017 1.00 0.00 H new ATOM 0 HG SER A 88 -3.687 6.564 0.815 1.00 0.00 H new ATOM 1310 N PHE A 89 -1.595 4.105 1.220 1.00 0.00 N ATOM 1311 CA PHE A 89 -1.730 2.917 0.394 1.00 0.00 C ATOM 1312 C PHE A 89 -3.190 2.464 0.321 1.00 0.00 C ATOM 1313 O PHE A 89 -3.811 2.191 1.347 1.00 0.00 O ATOM 1314 CB PHE A 89 -0.899 1.816 1.054 1.00 0.00 C ATOM 1315 CG PHE A 89 0.594 2.136 1.150 1.00 0.00 C ATOM 1316 CD1 PHE A 89 1.239 2.699 0.093 1.00 0.00 C ATOM 1317 CD2 PHE A 89 1.277 1.858 2.293 1.00 0.00 C ATOM 1318 CE1 PHE A 89 2.624 2.996 0.183 1.00 0.00 C ATOM 1319 CE2 PHE A 89 2.662 2.156 2.383 1.00 0.00 C ATOM 1320 CZ PHE A 89 3.307 2.718 1.326 1.00 0.00 C ATOM 0 H PHE A 89 -2.049 4.045 2.131 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.392 3.128 -0.620 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.286 1.634 2.057 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.026 0.892 0.491 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.697 2.920 -0.815 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.765 1.410 3.132 1.00 0.00 H new ATOM 0 HE1 PHE A 89 3.136 3.443 -0.656 1.00 0.00 H new ATOM 0 HE2 PHE A 89 3.204 1.936 3.291 1.00 0.00 H new ATOM 0 HZ PHE A 89 4.361 2.944 1.394 1.00 0.00 H new ATOM 1330 N ARG A 90 -3.695 2.398 -0.902 1.00 0.00 N ATOM 1331 CA ARG A 90 -5.070 1.982 -1.122 1.00 0.00 C ATOM 1332 C ARG A 90 -5.108 0.645 -1.865 1.00 0.00 C ATOM 1333 O ARG A 90 -4.138 0.267 -2.520 1.00 0.00 O ATOM 1334 CB ARG A 90 -5.839 3.029 -1.931 1.00 0.00 C ATOM 1335 CG ARG A 90 -7.297 3.112 -1.475 1.00 0.00 C ATOM 1336 CD ARG A 90 -7.705 4.561 -1.203 1.00 0.00 C ATOM 1337 NE ARG A 90 -7.789 5.311 -2.476 1.00 0.00 N ATOM 1338 CZ ARG A 90 -8.556 6.394 -2.661 1.00 0.00 C ATOM 1339 NH1 ARG A 90 -9.309 6.861 -1.657 1.00 0.00 N ATOM 1340 NH2 ARG A 90 -8.569 7.010 -3.851 1.00 0.00 N ATOM 0 H ARG A 90 -3.177 2.625 -1.751 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.544 1.873 -0.146 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -5.363 4.003 -1.818 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.799 2.776 -2.991 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -7.946 2.685 -2.240 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -7.434 2.516 -0.572 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -8.668 4.587 -0.692 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -6.980 5.033 -0.540 1.00 0.00 H new ATOM 0 HE ARG A 90 -7.228 4.983 -3.262 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -9.299 6.392 -0.751 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -9.893 7.685 -1.798 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -7.995 6.654 -4.616 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -9.153 7.834 -3.992 1.00 0.00 H new ATOM 1354 N VAL A 91 -6.238 -0.034 -1.737 1.00 0.00 N ATOM 1355 CA VAL A 91 -6.415 -1.321 -2.388 1.00 0.00 C ATOM 1356 C VAL A 91 -7.814 -1.388 -3.005 1.00 0.00 C ATOM 1357 O VAL A 91 -8.795 -1.002 -2.372 1.00 0.00 O ATOM 1358 CB VAL A 91 -6.147 -2.452 -1.393 1.00 0.00 C ATOM 1359 CG1 VAL A 91 -6.446 -3.816 -2.019 1.00 0.00 C ATOM 1360 CG2 VAL A 91 -4.711 -2.392 -0.869 1.00 0.00 C ATOM 0 H VAL A 91 -7.040 0.283 -1.192 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.696 -1.441 -3.198 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.819 -2.318 -0.545 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -6.247 -4.602 -1.291 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -7.493 -3.857 -2.320 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.811 -3.962 -2.893 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.547 -3.207 -0.164 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.015 -2.488 -1.703 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.546 -1.439 -0.367 1.00 0.00 H new ATOM 1370 N MET A 92 -7.860 -1.880 -4.235 1.00 0.00 N ATOM 1371 CA MET A 92 -9.122 -2.001 -4.945 1.00 0.00 C ATOM 1372 C MET A 92 -9.343 -3.436 -5.427 1.00 0.00 C ATOM 1373 O MET A 92 -8.386 -4.183 -5.626 1.00 0.00 O ATOM 1374 CB MET A 92 -9.126 -1.053 -6.145 1.00 0.00 C ATOM 1375 CG MET A 92 -9.438 0.381 -5.710 1.00 0.00 C ATOM 1376 SD MET A 92 -8.152 1.483 -6.271 1.00 0.00 S ATOM 1377 CE MET A 92 -6.791 0.907 -5.270 1.00 0.00 C ATOM 0 H MET A 92 -7.044 -2.199 -4.757 1.00 0.00 H new ATOM 0 HA MET A 92 -9.929 -1.738 -4.261 1.00 0.00 H new ATOM 0 HB2 MET A 92 -8.156 -1.084 -6.640 1.00 0.00 H new ATOM 0 HB3 MET A 92 -9.866 -1.385 -6.873 1.00 0.00 H new ATOM 0 HG2 MET A 92 -10.399 0.693 -6.119 1.00 0.00 H new ATOM 0 HG3 MET A 92 -9.522 0.430 -4.624 1.00 0.00 H new ATOM 0 HE1 MET A 92 -6.157 1.751 -4.997 1.00 0.00 H new ATOM 0 HE2 MET A 92 -7.178 0.436 -4.366 1.00 0.00 H new ATOM 0 HE3 MET A 92 -6.205 0.182 -5.835 1.00 0.00 H new ATOM 1387 N ALA A 93 -10.611 -3.779 -5.602 1.00 0.00 N ATOM 1388 CA ALA A 93 -10.970 -5.111 -6.057 1.00 0.00 C ATOM 1389 C ALA A 93 -11.798 -5.001 -7.339 1.00 0.00 C ATOM 1390 O ALA A 93 -12.727 -4.199 -7.415 1.00 0.00 O ATOM 1391 CB ALA A 93 -11.716 -5.848 -4.942 1.00 0.00 C ATOM 0 H ALA A 93 -11.402 -3.157 -5.437 1.00 0.00 H new ATOM 0 HA ALA A 93 -10.077 -5.691 -6.290 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -11.985 -6.847 -5.283 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -11.074 -5.925 -4.064 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -12.620 -5.297 -4.683 1.00 0.00 H new ATOM 1397 N VAL A 94 -11.432 -5.820 -8.314 1.00 0.00 N ATOM 1398 CA VAL A 94 -12.129 -5.825 -9.589 1.00 0.00 C ATOM 1399 C VAL A 94 -12.617 -7.243 -9.893 1.00 0.00 C ATOM 1400 O VAL A 94 -11.847 -8.199 -9.814 1.00 0.00 O ATOM 1401 CB VAL A 94 -11.222 -5.258 -10.683 1.00 0.00 C ATOM 1402 CG1 VAL A 94 -12.047 -4.724 -11.856 1.00 0.00 C ATOM 1403 CG2 VAL A 94 -10.299 -4.174 -10.123 1.00 0.00 C ATOM 0 H VAL A 94 -10.662 -6.485 -8.247 1.00 0.00 H new ATOM 0 HA VAL A 94 -13.007 -5.181 -9.547 1.00 0.00 H new ATOM 0 HB VAL A 94 -10.597 -6.070 -11.055 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -11.379 -4.327 -12.620 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -12.643 -5.533 -12.280 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -12.708 -3.932 -11.505 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -9.665 -3.788 -10.921 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -10.899 -3.362 -9.711 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -9.674 -4.598 -9.337 1.00 0.00 H new ATOM 1413 N ASN A 95 -13.894 -7.334 -10.233 1.00 0.00 N ATOM 1414 CA ASN A 95 -14.495 -8.619 -10.549 1.00 0.00 C ATOM 1415 C ASN A 95 -15.286 -8.500 -11.853 1.00 0.00 C ATOM 1416 O ASN A 95 -15.163 -7.508 -12.570 1.00 0.00 O ATOM 1417 CB ASN A 95 -15.461 -9.061 -9.448 1.00 0.00 C ATOM 1418 CG ASN A 95 -16.657 -8.111 -9.355 1.00 0.00 C ATOM 1419 OD1 ASN A 95 -16.910 -7.301 -10.231 1.00 0.00 O ATOM 1420 ND2 ASN A 95 -17.376 -8.256 -8.245 1.00 0.00 N ATOM 0 H ASN A 95 -14.530 -6.539 -10.297 1.00 0.00 H new ATOM 0 HA ASN A 95 -13.694 -9.353 -10.641 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -15.811 -10.073 -9.651 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -14.939 -9.090 -8.491 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -18.195 -7.669 -8.088 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -17.108 -8.954 -7.552 1.00 0.00 H new ATOM 1427 N SER A 96 -16.082 -9.525 -12.121 1.00 0.00 N ATOM 1428 CA SER A 96 -16.894 -9.549 -13.326 1.00 0.00 C ATOM 1429 C SER A 96 -17.633 -8.218 -13.484 1.00 0.00 C ATOM 1430 O SER A 96 -17.750 -7.698 -14.592 1.00 0.00 O ATOM 1431 CB SER A 96 -17.890 -10.709 -13.297 1.00 0.00 C ATOM 1432 OG SER A 96 -17.586 -11.698 -14.277 1.00 0.00 O ATOM 0 H SER A 96 -16.182 -10.346 -11.524 1.00 0.00 H new ATOM 0 HA SER A 96 -16.234 -9.695 -14.181 1.00 0.00 H new ATOM 0 HB2 SER A 96 -17.886 -11.166 -12.307 1.00 0.00 H new ATOM 0 HB3 SER A 96 -18.897 -10.327 -13.467 1.00 0.00 H new ATOM 0 HG SER A 96 -18.244 -12.423 -14.225 1.00 0.00 H new ATOM 1438 N ILE A 97 -18.112 -7.707 -12.360 1.00 0.00 N ATOM 1439 CA ILE A 97 -18.837 -6.448 -12.360 1.00 0.00 C ATOM 1440 C ILE A 97 -17.888 -5.318 -12.764 1.00 0.00 C ATOM 1441 O ILE A 97 -17.823 -4.945 -13.934 1.00 0.00 O ATOM 1442 CB ILE A 97 -19.522 -6.223 -11.010 1.00 0.00 C ATOM 1443 CG1 ILE A 97 -20.411 -7.412 -10.642 1.00 0.00 C ATOM 1444 CG2 ILE A 97 -20.295 -4.903 -11.000 1.00 0.00 C ATOM 1445 CD1 ILE A 97 -21.807 -7.261 -11.249 1.00 0.00 C ATOM 0 H ILE A 97 -18.012 -8.142 -11.443 1.00 0.00 H new ATOM 0 HA ILE A 97 -19.639 -6.471 -13.098 1.00 0.00 H new ATOM 0 HB ILE A 97 -18.751 -6.149 -10.243 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -19.954 -8.336 -10.997 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -20.489 -7.491 -9.558 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -20.772 -4.768 -10.029 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -19.608 -4.077 -11.185 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -21.057 -4.922 -11.779 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -22.419 -8.120 -10.972 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -22.270 -6.349 -10.873 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -21.728 -7.207 -12.335 1.00 0.00 H new ATOM 1457 N GLY A 98 -17.175 -4.804 -11.772 1.00 0.00 N ATOM 1458 CA GLY A 98 -16.232 -3.724 -12.009 1.00 0.00 C ATOM 1459 C GLY A 98 -15.261 -3.577 -10.836 1.00 0.00 C ATOM 1460 O GLY A 98 -15.008 -4.537 -10.111 1.00 0.00 O ATOM 0 H GLY A 98 -17.232 -5.116 -10.802 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -15.674 -3.918 -12.925 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -16.773 -2.790 -12.157 1.00 0.00 H new ATOM 1464 N LYS A 99 -14.743 -2.367 -10.687 1.00 0.00 N ATOM 1465 CA LYS A 99 -13.805 -2.081 -9.615 1.00 0.00 C ATOM 1466 C LYS A 99 -14.539 -1.367 -8.478 1.00 0.00 C ATOM 1467 O LYS A 99 -15.081 -0.279 -8.671 1.00 0.00 O ATOM 1468 CB LYS A 99 -12.598 -1.308 -10.150 1.00 0.00 C ATOM 1469 CG LYS A 99 -11.602 -1.002 -9.030 1.00 0.00 C ATOM 1470 CD LYS A 99 -10.857 0.307 -9.301 1.00 0.00 C ATOM 1471 CE LYS A 99 -9.970 0.186 -10.541 1.00 0.00 C ATOM 1472 NZ LYS A 99 -9.414 1.507 -10.912 1.00 0.00 N ATOM 0 H LYS A 99 -14.955 -1.573 -11.291 1.00 0.00 H new ATOM 0 HA LYS A 99 -13.403 -3.007 -9.203 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -12.106 -1.889 -10.930 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -12.932 -0.377 -10.609 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -12.129 -0.934 -8.078 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -10.887 -1.820 -8.941 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -11.574 1.116 -9.440 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -10.246 0.568 -8.437 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -9.158 -0.515 -10.348 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -10.549 -0.218 -11.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.814 1.407 -11.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -10.192 2.166 -11.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -8.845 1.878 -10.125 1.00 0.00 H new ATOM 1486 N SER A 100 -14.532 -2.006 -7.318 1.00 0.00 N ATOM 1487 CA SER A 100 -15.190 -1.446 -6.150 1.00 0.00 C ATOM 1488 C SER A 100 -14.444 -0.196 -5.678 1.00 0.00 C ATOM 1489 O SER A 100 -13.330 0.072 -6.127 1.00 0.00 O ATOM 1490 CB SER A 100 -15.275 -2.472 -5.019 1.00 0.00 C ATOM 1491 OG SER A 100 -14.023 -2.647 -4.362 1.00 0.00 O ATOM 0 H SER A 100 -14.081 -2.907 -7.162 1.00 0.00 H new ATOM 0 HA SER A 100 -16.207 -1.171 -6.430 1.00 0.00 H new ATOM 0 HB2 SER A 100 -16.023 -2.151 -4.294 1.00 0.00 H new ATOM 0 HB3 SER A 100 -15.610 -3.428 -5.421 1.00 0.00 H new ATOM 0 HG SER A 100 -14.086 -3.395 -3.732 1.00 0.00 H new ATOM 1497 N LEU A 101 -15.086 0.534 -4.779 1.00 0.00 N ATOM 1498 CA LEU A 101 -14.497 1.748 -4.241 1.00 0.00 C ATOM 1499 C LEU A 101 -13.114 1.429 -3.669 1.00 0.00 C ATOM 1500 O LEU A 101 -12.792 0.267 -3.426 1.00 0.00 O ATOM 1501 CB LEU A 101 -15.443 2.402 -3.232 1.00 0.00 C ATOM 1502 CG LEU A 101 -16.548 3.281 -3.821 1.00 0.00 C ATOM 1503 CD1 LEU A 101 -17.623 3.584 -2.776 1.00 0.00 C ATOM 1504 CD2 LEU A 101 -15.965 4.558 -4.431 1.00 0.00 C ATOM 0 H LEU A 101 -16.009 0.308 -4.409 1.00 0.00 H new ATOM 0 HA LEU A 101 -14.354 2.484 -5.032 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -15.909 1.616 -2.638 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -14.850 3.008 -2.548 1.00 0.00 H new ATOM 0 HG LEU A 101 -17.030 2.729 -4.628 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -18.396 4.210 -3.221 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -18.067 2.651 -2.429 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -17.173 4.107 -1.932 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -16.771 5.165 -4.843 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -15.442 5.124 -3.660 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -15.266 4.296 -5.225 1.00 0.00 H new ATOM 1516 N PRO A 102 -12.312 2.508 -3.467 1.00 0.00 N ATOM 1517 CA PRO A 102 -10.971 2.355 -2.929 1.00 0.00 C ATOM 1518 C PRO A 102 -11.014 2.061 -1.428 1.00 0.00 C ATOM 1519 O PRO A 102 -11.879 2.569 -0.716 1.00 0.00 O ATOM 1520 CB PRO A 102 -10.263 3.658 -3.259 1.00 0.00 C ATOM 1521 CG PRO A 102 -11.362 4.667 -3.554 1.00 0.00 C ATOM 1522 CD PRO A 102 -12.660 3.899 -3.744 1.00 0.00 C ATOM 0 HA PRO A 102 -10.438 1.508 -3.361 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -9.644 3.988 -2.425 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -9.603 3.537 -4.118 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -11.456 5.379 -2.734 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -11.123 5.241 -4.449 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -13.434 4.256 -3.065 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -13.045 4.017 -4.757 1.00 0.00 H new ATOM 1530 N SER A 103 -10.068 1.242 -0.991 1.00 0.00 N ATOM 1531 CA SER A 103 -9.986 0.875 0.413 1.00 0.00 C ATOM 1532 C SER A 103 -9.897 2.133 1.279 1.00 0.00 C ATOM 1533 O SER A 103 -9.409 3.168 0.827 1.00 0.00 O ATOM 1534 CB SER A 103 -8.785 -0.036 0.675 1.00 0.00 C ATOM 1535 OG SER A 103 -7.552 0.676 0.616 1.00 0.00 O ATOM 0 H SER A 103 -9.352 0.822 -1.584 1.00 0.00 H new ATOM 0 HA SER A 103 -10.889 0.325 0.676 1.00 0.00 H new ATOM 0 HB2 SER A 103 -8.889 -0.500 1.656 1.00 0.00 H new ATOM 0 HB3 SER A 103 -8.774 -0.842 -0.059 1.00 0.00 H new ATOM 0 HG SER A 103 -7.338 1.034 1.503 1.00 0.00 H new ATOM 1541 N GLU A 104 -10.375 2.003 2.507 1.00 0.00 N ATOM 1542 CA GLU A 104 -10.356 3.116 3.440 1.00 0.00 C ATOM 1543 C GLU A 104 -9.070 3.928 3.271 1.00 0.00 C ATOM 1544 O GLU A 104 -9.075 4.978 2.630 1.00 0.00 O ATOM 1545 CB GLU A 104 -10.509 2.627 4.882 1.00 0.00 C ATOM 1546 CG GLU A 104 -11.821 1.862 5.065 1.00 0.00 C ATOM 1547 CD GLU A 104 -12.315 1.958 6.510 1.00 0.00 C ATOM 1548 OE1 GLU A 104 -11.457 1.842 7.411 1.00 0.00 O ATOM 1549 OE2 GLU A 104 -13.539 2.145 6.680 1.00 0.00 O ATOM 0 H GLU A 104 -10.778 1.143 2.878 1.00 0.00 H new ATOM 0 HA GLU A 104 -11.204 3.764 3.219 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -9.669 1.983 5.142 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -10.482 3.478 5.563 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -12.577 2.264 4.391 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -11.677 0.816 4.795 1.00 0.00 H new ATOM 1556 N ALA A 105 -8.000 3.411 3.856 1.00 0.00 N ATOM 1557 CA ALA A 105 -6.710 4.075 3.778 1.00 0.00 C ATOM 1558 C ALA A 105 -5.804 3.553 4.895 1.00 0.00 C ATOM 1559 O ALA A 105 -6.040 3.828 6.070 1.00 0.00 O ATOM 1560 CB ALA A 105 -6.910 5.590 3.850 1.00 0.00 C ATOM 0 H ALA A 105 -8.000 2.540 4.386 1.00 0.00 H new ATOM 0 HA ALA A 105 -6.222 3.855 2.828 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -5.942 6.088 3.791 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -7.536 5.914 3.019 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -7.395 5.849 4.791 1.00 0.00 H new ATOM 1566 N SER A 106 -4.786 2.808 4.489 1.00 0.00 N ATOM 1567 CA SER A 106 -3.844 2.245 5.440 1.00 0.00 C ATOM 1568 C SER A 106 -3.052 3.365 6.118 1.00 0.00 C ATOM 1569 O SER A 106 -3.109 4.517 5.690 1.00 0.00 O ATOM 1570 CB SER A 106 -2.892 1.261 4.757 1.00 0.00 C ATOM 1571 OG SER A 106 -2.664 0.100 5.551 1.00 0.00 O ATOM 0 H SER A 106 -4.593 2.581 3.513 1.00 0.00 H new ATOM 0 HA SER A 106 -4.408 1.698 6.196 1.00 0.00 H new ATOM 0 HB2 SER A 106 -3.307 0.965 3.793 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.942 1.756 4.557 1.00 0.00 H new ATOM 0 HG SER A 106 -2.053 -0.504 5.080 1.00 0.00 H new ATOM 1577 N GLU A 107 -2.331 2.988 7.164 1.00 0.00 N ATOM 1578 CA GLU A 107 -1.529 3.946 7.905 1.00 0.00 C ATOM 1579 C GLU A 107 -0.597 4.704 6.957 1.00 0.00 C ATOM 1580 O GLU A 107 -0.327 4.245 5.848 1.00 0.00 O ATOM 1581 CB GLU A 107 -0.736 3.255 9.016 1.00 0.00 C ATOM 1582 CG GLU A 107 -0.123 1.945 8.518 1.00 0.00 C ATOM 1583 CD GLU A 107 1.075 1.538 9.379 1.00 0.00 C ATOM 1584 OE1 GLU A 107 2.155 2.130 9.166 1.00 0.00 O ATOM 1585 OE2 GLU A 107 0.883 0.644 10.232 1.00 0.00 O ATOM 0 H GLU A 107 -2.286 2.032 7.516 1.00 0.00 H new ATOM 0 HA GLU A 107 -2.200 4.664 8.376 1.00 0.00 H new ATOM 0 HB2 GLU A 107 0.053 3.918 9.371 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -1.390 3.055 9.865 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -0.875 1.156 8.539 1.00 0.00 H new ATOM 0 HG3 GLU A 107 0.192 2.058 7.481 1.00 0.00 H new ATOM 1592 N GLN A 108 -0.132 5.851 7.427 1.00 0.00 N ATOM 1593 CA GLN A 108 0.764 6.677 6.635 1.00 0.00 C ATOM 1594 C GLN A 108 2.205 6.183 6.777 1.00 0.00 C ATOM 1595 O GLN A 108 2.897 6.539 7.730 1.00 0.00 O ATOM 1596 CB GLN A 108 0.648 8.150 7.033 1.00 0.00 C ATOM 1597 CG GLN A 108 -0.226 8.919 6.040 1.00 0.00 C ATOM 1598 CD GLN A 108 0.019 10.425 6.147 1.00 0.00 C ATOM 1599 OE1 GLN A 108 0.999 10.883 6.711 1.00 0.00 O ATOM 1600 NE2 GLN A 108 -0.924 11.168 5.575 1.00 0.00 N ATOM 0 H GLN A 108 -0.359 6.229 8.347 1.00 0.00 H new ATOM 0 HA GLN A 108 0.473 6.594 5.588 1.00 0.00 H new ATOM 0 HB2 GLN A 108 0.222 8.228 8.034 1.00 0.00 H new ATOM 0 HB3 GLN A 108 1.640 8.599 7.073 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -0.012 8.583 5.025 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -1.277 8.703 6.232 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -1.719 10.721 5.119 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -0.852 12.185 5.592 1.00 0.00 H new ATOM 1609 N TYR A 109 2.616 5.371 5.813 1.00 0.00 N ATOM 1610 CA TYR A 109 3.962 4.825 5.818 1.00 0.00 C ATOM 1611 C TYR A 109 4.975 5.858 5.322 1.00 0.00 C ATOM 1612 O TYR A 109 4.848 6.375 4.213 1.00 0.00 O ATOM 1613 CB TYR A 109 3.941 3.642 4.848 1.00 0.00 C ATOM 1614 CG TYR A 109 5.171 2.737 4.942 1.00 0.00 C ATOM 1615 CD1 TYR A 109 6.429 3.257 4.715 1.00 0.00 C ATOM 1616 CD2 TYR A 109 5.023 1.402 5.255 1.00 0.00 C ATOM 1617 CE1 TYR A 109 7.587 2.406 4.804 1.00 0.00 C ATOM 1618 CE2 TYR A 109 6.180 0.550 5.344 1.00 0.00 C ATOM 1619 CZ TYR A 109 7.405 1.094 5.115 1.00 0.00 C ATOM 1620 OH TYR A 109 8.499 0.289 5.199 1.00 0.00 O ATOM 0 H TYR A 109 2.040 5.079 5.024 1.00 0.00 H new ATOM 0 HA TYR A 109 4.254 4.533 6.827 1.00 0.00 H new ATOM 0 HB2 TYR A 109 3.049 3.046 5.038 1.00 0.00 H new ATOM 0 HB3 TYR A 109 3.859 4.022 3.830 1.00 0.00 H new ATOM 0 HD1 TYR A 109 6.545 4.303 4.471 1.00 0.00 H new ATOM 0 HD2 TYR A 109 4.038 0.995 5.433 1.00 0.00 H new ATOM 0 HE1 TYR A 109 8.577 2.800 4.628 1.00 0.00 H new ATOM 0 HE2 TYR A 109 6.077 -0.497 5.587 1.00 0.00 H new ATOM 0 HH TYR A 109 8.218 -0.621 5.430 1.00 0.00 H new ATOM 1630 N LEU A 110 5.959 6.129 6.168 1.00 0.00 N ATOM 1631 CA LEU A 110 6.993 7.092 5.829 1.00 0.00 C ATOM 1632 C LEU A 110 8.367 6.463 6.069 1.00 0.00 C ATOM 1633 O LEU A 110 8.638 5.951 7.154 1.00 0.00 O ATOM 1634 CB LEU A 110 6.775 8.402 6.588 1.00 0.00 C ATOM 1635 CG LEU A 110 6.616 9.657 5.728 1.00 0.00 C ATOM 1636 CD1 LEU A 110 7.690 9.715 4.639 1.00 0.00 C ATOM 1637 CD2 LEU A 110 5.204 9.748 5.146 1.00 0.00 C ATOM 0 H LEU A 110 6.062 5.698 7.087 1.00 0.00 H new ATOM 0 HA LEU A 110 6.941 7.351 4.772 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.885 8.296 7.208 1.00 0.00 H new ATOM 0 HB3 LEU A 110 7.618 8.552 7.263 1.00 0.00 H new ATOM 0 HG LEU A 110 6.757 10.529 6.367 1.00 0.00 H new ATOM 0 HD11 LEU A 110 7.554 10.617 4.042 1.00 0.00 H new ATOM 0 HD12 LEU A 110 8.677 9.731 5.102 1.00 0.00 H new ATOM 0 HD13 LEU A 110 7.605 8.838 3.997 1.00 0.00 H new ATOM 0 HD21 LEU A 110 5.118 10.649 4.539 1.00 0.00 H new ATOM 0 HD22 LEU A 110 5.009 8.873 4.526 1.00 0.00 H new ATOM 0 HD23 LEU A 110 4.478 9.787 5.958 1.00 0.00 H new