USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 679 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 71 GLN : amide:sc= 0.00542 K(o=-1.9,f=-6.3!) USER MOD Set 1.2: A 75 ASN :FLIP amide:sc= -1.92! C(o=-4.8!,f=-1.9!) USER MOD Set 2.1: A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 55 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 6 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 8 LYS NZ :NH3+ -112:sc= 0.155 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 137:sc= 0.00831 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 24:sc= 0.458 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -158:sc= -1.11 (180deg=-2!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.112 X(o=-0.11,f=0) USER MOD Single : A 18 SER OG : rot -63:sc= 1.18 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 171:sc= -3.69! (180deg=-4.16!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS :FLIP no HE2:sc= -5.85! C(o=-9.4!,f=-5.8!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc=-0.00761 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -2.45 X(o=-2.5,f=-2.8!) USER MOD Single : A 42 MET CE :methyl -152:sc= -0.0165 (180deg=-0.718) USER MOD Single : A 44 SER OG : rot 58:sc= 1.04 USER MOD Single : A 46 LYS NZ :NH3+ -119:sc= -0.0499 (180deg=-1.75!) USER MOD Single : A 47 THR OG1 : rot -67:sc= -0.367 USER MOD Single : A 48 ASN : amide:sc= -0.841 K(o=-0.84,f=-1.8) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 ASN : amide:sc= -1.95 K(o=-1.9,f=-3!) USER MOD Single : A 60 ASN : amide:sc= 0.275 K(o=0.28,f=-1.9!) USER MOD Single : A 69 MET CE :methyl -165:sc= -1.15 (180deg=-1.6!) USER MOD Single : A 72 GLN : amide:sc= -0.257 X(o=-0.26,f=-0.26) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.120 -17.491 -27.502 1.00 0.00 N ATOM 2 CA GLY A 1 4.356 -17.796 -26.307 1.00 0.00 C ATOM 3 C GLY A 1 5.134 -17.519 -25.035 1.00 0.00 C ATOM 4 O GLY A 1 6.330 -17.798 -24.958 1.00 0.00 O ATOM 0 H1 GLY A 1 4.985 -18.247 -28.203 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.795 -16.587 -27.901 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.129 -17.419 -27.260 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.440 -17.206 -26.305 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.059 -18.845 -26.327 1.00 0.00 H new ATOM 8 N SER A 2 4.453 -16.967 -24.036 1.00 0.00 N ATOM 9 CA SER A 2 5.089 -16.647 -22.763 1.00 0.00 C ATOM 10 C SER A 2 4.258 -17.168 -21.594 1.00 0.00 C ATOM 11 O SER A 2 4.754 -17.914 -20.750 1.00 0.00 O ATOM 12 CB SER A 2 5.282 -15.135 -22.632 1.00 0.00 C ATOM 13 OG SER A 2 6.496 -14.721 -23.235 1.00 0.00 O ATOM 0 H SER A 2 3.462 -16.732 -24.083 1.00 0.00 H new ATOM 0 HA SER A 2 6.064 -17.135 -22.739 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.445 -14.617 -23.100 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.282 -14.855 -21.579 1.00 0.00 H new ATOM 0 HG SER A 2 6.595 -13.751 -23.139 1.00 0.00 H new ATOM 19 N SER A 3 2.991 -16.770 -21.553 1.00 0.00 N ATOM 20 CA SER A 3 2.091 -17.193 -20.487 1.00 0.00 C ATOM 21 C SER A 3 0.640 -17.165 -20.957 1.00 0.00 C ATOM 22 O SER A 3 0.348 -16.760 -22.081 1.00 0.00 O ATOM 23 CB SER A 3 2.259 -16.293 -19.261 1.00 0.00 C ATOM 24 OG SER A 3 3.358 -16.710 -18.469 1.00 0.00 O ATOM 0 H SER A 3 2.564 -16.155 -22.246 1.00 0.00 H new ATOM 0 HA SER A 3 2.347 -18.217 -20.215 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.408 -15.262 -19.581 1.00 0.00 H new ATOM 0 HB3 SER A 3 1.348 -16.313 -18.663 1.00 0.00 H new ATOM 0 HG SER A 3 3.989 -17.214 -19.024 1.00 0.00 H new ATOM 30 N GLY A 4 -0.267 -17.599 -20.086 1.00 0.00 N ATOM 31 CA GLY A 4 -1.677 -17.615 -20.430 1.00 0.00 C ATOM 32 C GLY A 4 -2.474 -16.582 -19.658 1.00 0.00 C ATOM 33 O GLY A 4 -2.041 -15.440 -19.508 1.00 0.00 O ATOM 0 H GLY A 4 -0.050 -17.939 -19.149 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.789 -17.432 -21.499 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.085 -18.606 -20.232 1.00 0.00 H new ATOM 37 N SER A 5 -3.642 -16.984 -19.167 1.00 0.00 N ATOM 38 CA SER A 5 -4.504 -16.083 -18.411 1.00 0.00 C ATOM 39 C SER A 5 -5.718 -16.827 -17.862 1.00 0.00 C ATOM 40 O SER A 5 -5.956 -17.985 -18.202 1.00 0.00 O ATOM 41 CB SER A 5 -4.960 -14.920 -19.294 1.00 0.00 C ATOM 42 OG SER A 5 -5.905 -15.351 -20.258 1.00 0.00 O ATOM 0 H SER A 5 -4.013 -17.927 -19.279 1.00 0.00 H new ATOM 0 HA SER A 5 -3.931 -15.689 -17.572 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.399 -14.139 -18.674 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.098 -14.481 -19.796 1.00 0.00 H new ATOM 0 HG SER A 5 -6.182 -14.589 -20.808 1.00 0.00 H new ATOM 48 N SER A 6 -6.482 -16.151 -17.010 1.00 0.00 N ATOM 49 CA SER A 6 -7.669 -16.747 -16.409 1.00 0.00 C ATOM 50 C SER A 6 -8.621 -15.668 -15.900 1.00 0.00 C ATOM 51 O SER A 6 -8.282 -14.486 -15.878 1.00 0.00 O ATOM 52 CB SER A 6 -7.274 -17.677 -15.261 1.00 0.00 C ATOM 53 OG SER A 6 -6.662 -16.954 -14.207 1.00 0.00 O ATOM 0 H SER A 6 -6.300 -15.190 -16.720 1.00 0.00 H new ATOM 0 HA SER A 6 -8.182 -17.327 -17.177 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.158 -18.194 -14.887 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.589 -18.442 -15.627 1.00 0.00 H new ATOM 0 HG SER A 6 -6.420 -17.571 -13.485 1.00 0.00 H new ATOM 59 N GLY A 7 -9.815 -16.086 -15.492 1.00 0.00 N ATOM 60 CA GLY A 7 -10.798 -15.144 -14.988 1.00 0.00 C ATOM 61 C GLY A 7 -11.121 -15.370 -13.524 1.00 0.00 C ATOM 62 O GLY A 7 -11.015 -16.489 -13.023 1.00 0.00 O ATOM 0 H GLY A 7 -10.119 -17.059 -15.501 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.425 -14.128 -15.122 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.712 -15.228 -15.576 1.00 0.00 H new ATOM 66 N LYS A 8 -11.514 -14.304 -12.836 1.00 0.00 N ATOM 67 CA LYS A 8 -11.853 -14.389 -11.420 1.00 0.00 C ATOM 68 C LYS A 8 -12.464 -13.081 -10.928 1.00 0.00 C ATOM 69 O LYS A 8 -11.980 -11.997 -11.251 1.00 0.00 O ATOM 70 CB LYS A 8 -10.608 -14.725 -10.596 1.00 0.00 C ATOM 71 CG LYS A 8 -9.483 -13.716 -10.755 1.00 0.00 C ATOM 72 CD LYS A 8 -8.665 -13.987 -12.007 1.00 0.00 C ATOM 73 CE LYS A 8 -7.414 -13.123 -12.052 1.00 0.00 C ATOM 74 NZ LYS A 8 -6.783 -13.130 -13.401 1.00 0.00 N ATOM 0 H LYS A 8 -11.606 -13.370 -13.236 1.00 0.00 H new ATOM 0 HA LYS A 8 -12.589 -15.183 -11.295 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -10.885 -14.785 -9.543 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -10.245 -15.711 -10.887 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -9.899 -12.710 -10.802 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -8.834 -13.752 -9.880 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -8.383 -15.039 -12.038 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -9.274 -13.794 -12.890 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -7.669 -12.100 -11.776 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -6.697 -13.483 -11.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -5.869 -13.624 -13.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -7.407 -13.620 -14.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -6.632 -12.151 -13.719 1.00 0.00 H new ATOM 88 N LYS A 9 -13.531 -13.191 -10.142 1.00 0.00 N ATOM 89 CA LYS A 9 -14.207 -12.018 -9.602 1.00 0.00 C ATOM 90 C LYS A 9 -14.864 -12.337 -8.263 1.00 0.00 C ATOM 91 O LYS A 9 -15.870 -13.045 -8.207 1.00 0.00 O ATOM 92 CB LYS A 9 -15.260 -11.511 -10.590 1.00 0.00 C ATOM 93 CG LYS A 9 -14.677 -11.027 -11.906 1.00 0.00 C ATOM 94 CD LYS A 9 -14.568 -12.156 -12.917 1.00 0.00 C ATOM 95 CE LYS A 9 -15.864 -12.338 -13.691 1.00 0.00 C ATOM 96 NZ LYS A 9 -16.921 -12.979 -12.859 1.00 0.00 N ATOM 0 H LYS A 9 -13.945 -14.081 -9.865 1.00 0.00 H new ATOM 0 HA LYS A 9 -13.460 -11.240 -9.444 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -15.973 -12.311 -10.791 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -15.817 -10.696 -10.128 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -15.304 -10.233 -12.312 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -13.691 -10.597 -11.732 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -13.755 -11.946 -13.612 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -14.317 -13.084 -12.403 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -16.217 -11.368 -14.042 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -15.677 -12.948 -14.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -17.630 -13.420 -13.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -16.492 -13.706 -12.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -17.380 -12.259 -12.265 1.00 0.00 H new ATOM 110 N ARG A 10 -14.289 -11.810 -7.187 1.00 0.00 N ATOM 111 CA ARG A 10 -14.819 -12.039 -5.848 1.00 0.00 C ATOM 112 C ARG A 10 -14.918 -10.730 -5.071 1.00 0.00 C ATOM 113 O ARG A 10 -14.179 -9.781 -5.335 1.00 0.00 O ATOM 114 CB ARG A 10 -13.934 -13.030 -5.088 1.00 0.00 C ATOM 115 CG ARG A 10 -14.317 -14.484 -5.312 1.00 0.00 C ATOM 116 CD ARG A 10 -15.486 -14.893 -4.430 1.00 0.00 C ATOM 117 NE ARG A 10 -16.772 -14.613 -5.062 1.00 0.00 N ATOM 118 CZ ARG A 10 -17.277 -15.335 -6.056 1.00 0.00 C ATOM 119 NH1 ARG A 10 -16.606 -16.377 -6.528 1.00 0.00 N ATOM 120 NH2 ARG A 10 -18.454 -15.017 -6.579 1.00 0.00 N ATOM 0 H ARG A 10 -13.456 -11.222 -7.216 1.00 0.00 H new ATOM 0 HA ARG A 10 -15.820 -12.459 -5.948 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -12.897 -12.885 -5.392 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -13.988 -12.809 -4.022 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -14.579 -14.635 -6.359 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -13.460 -15.124 -5.102 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -15.416 -15.957 -4.206 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -15.426 -14.363 -3.480 1.00 0.00 H new ATOM 0 HE ARG A 10 -17.313 -13.818 -4.721 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -15.701 -16.625 -6.128 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -16.995 -16.931 -7.291 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -18.973 -14.217 -6.218 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -18.840 -15.573 -7.342 1.00 0.00 H new ATOM 134 N LYS A 11 -15.837 -10.685 -4.112 1.00 0.00 N ATOM 135 CA LYS A 11 -16.033 -9.493 -3.295 1.00 0.00 C ATOM 136 C LYS A 11 -15.448 -9.687 -1.900 1.00 0.00 C ATOM 137 O LYS A 11 -15.276 -10.815 -1.440 1.00 0.00 O ATOM 138 CB LYS A 11 -17.523 -9.160 -3.193 1.00 0.00 C ATOM 139 CG LYS A 11 -17.798 -7.719 -2.797 1.00 0.00 C ATOM 140 CD LYS A 11 -19.144 -7.245 -3.321 1.00 0.00 C ATOM 141 CE LYS A 11 -20.266 -7.565 -2.346 1.00 0.00 C ATOM 142 NZ LYS A 11 -21.608 -7.381 -2.965 1.00 0.00 N ATOM 0 H LYS A 11 -16.458 -11.461 -3.881 1.00 0.00 H new ATOM 0 HA LYS A 11 -15.513 -8.664 -3.775 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -17.998 -9.361 -4.153 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -17.986 -9.824 -2.463 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -17.777 -7.629 -1.711 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -17.008 -7.076 -3.186 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -19.109 -6.170 -3.497 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -19.349 -7.718 -4.281 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -20.164 -8.593 -2.000 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -20.179 -6.923 -1.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -22.346 -7.609 -2.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -21.716 -6.393 -3.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -21.701 -8.012 -3.787 1.00 0.00 H new ATOM 156 N GLY A 12 -15.145 -8.579 -1.230 1.00 0.00 N ATOM 157 CA GLY A 12 -14.585 -8.650 0.106 1.00 0.00 C ATOM 158 C GLY A 12 -13.529 -7.589 0.349 1.00 0.00 C ATOM 159 O GLY A 12 -12.820 -7.187 -0.573 1.00 0.00 O ATOM 0 H GLY A 12 -15.278 -7.634 -1.589 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -15.384 -8.537 0.838 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -14.147 -9.636 0.261 1.00 0.00 H new ATOM 163 N ASN A 13 -13.424 -7.134 1.593 1.00 0.00 N ATOM 164 CA ASN A 13 -12.448 -6.112 1.953 1.00 0.00 C ATOM 165 C ASN A 13 -11.470 -6.638 2.999 1.00 0.00 C ATOM 166 O ASN A 13 -11.781 -7.570 3.742 1.00 0.00 O ATOM 167 CB ASN A 13 -13.158 -4.865 2.484 1.00 0.00 C ATOM 168 CG ASN A 13 -13.934 -4.137 1.404 1.00 0.00 C ATOM 169 OD1 ASN A 13 -15.139 -3.918 1.530 1.00 0.00 O ATOM 170 ND2 ASN A 13 -13.244 -3.758 0.334 1.00 0.00 N ATOM 0 H ASN A 13 -14.003 -7.457 2.369 1.00 0.00 H new ATOM 0 HA ASN A 13 -11.887 -5.849 1.057 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -13.838 -5.152 3.286 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -12.422 -4.188 2.917 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -13.712 -3.264 -0.426 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -12.246 -3.961 0.272 1.00 0.00 H new ATOM 177 N LEU A 14 -10.288 -6.035 3.052 1.00 0.00 N ATOM 178 CA LEU A 14 -9.263 -6.442 4.007 1.00 0.00 C ATOM 179 C LEU A 14 -9.226 -5.495 5.202 1.00 0.00 C ATOM 180 O LEU A 14 -9.567 -4.316 5.102 1.00 0.00 O ATOM 181 CB LEU A 14 -7.892 -6.480 3.329 1.00 0.00 C ATOM 182 CG LEU A 14 -7.863 -7.039 1.907 1.00 0.00 C ATOM 183 CD1 LEU A 14 -6.709 -6.436 1.120 1.00 0.00 C ATOM 184 CD2 LEU A 14 -7.757 -8.557 1.932 1.00 0.00 C ATOM 0 H LEU A 14 -10.015 -5.262 2.445 1.00 0.00 H new ATOM 0 HA LEU A 14 -9.512 -7.441 4.366 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -7.491 -5.467 3.308 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.220 -7.076 3.946 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.795 -6.768 1.412 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.704 -6.846 0.110 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.828 -5.354 1.072 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.767 -6.676 1.613 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.738 -8.937 0.911 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.841 -8.849 2.445 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.616 -8.973 2.458 1.00 0.00 H new ATOM 196 N PRO A 15 -8.800 -6.020 6.361 1.00 0.00 N ATOM 197 CA PRO A 15 -8.705 -5.237 7.597 1.00 0.00 C ATOM 198 C PRO A 15 -7.588 -4.201 7.543 1.00 0.00 C ATOM 199 O PRO A 15 -6.472 -4.500 7.120 1.00 0.00 O ATOM 200 CB PRO A 15 -8.404 -6.293 8.663 1.00 0.00 C ATOM 201 CG PRO A 15 -7.750 -7.406 7.919 1.00 0.00 C ATOM 202 CD PRO A 15 -8.378 -7.417 6.553 1.00 0.00 C ATOM 0 HA PRO A 15 -9.613 -4.665 7.788 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -7.749 -5.897 9.439 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -9.316 -6.629 9.156 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -6.673 -7.251 7.852 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -7.904 -8.358 8.427 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -7.669 -7.732 5.787 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -9.224 -8.103 6.505 1.00 0.00 H new ATOM 210 N ALA A 16 -7.896 -2.982 7.974 1.00 0.00 N ATOM 211 CA ALA A 16 -6.917 -1.902 7.977 1.00 0.00 C ATOM 212 C ALA A 16 -5.519 -2.430 8.282 1.00 0.00 C ATOM 213 O ALA A 16 -4.613 -2.326 7.455 1.00 0.00 O ATOM 214 CB ALA A 16 -7.312 -0.834 8.986 1.00 0.00 C ATOM 0 H ALA A 16 -8.816 -2.718 8.326 1.00 0.00 H new ATOM 0 HA ALA A 16 -6.900 -1.457 6.982 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.572 -0.034 8.977 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -8.289 -0.428 8.722 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -7.359 -1.274 9.982 1.00 0.00 H new ATOM 220 N GLU A 17 -5.352 -2.995 9.473 1.00 0.00 N ATOM 221 CA GLU A 17 -4.063 -3.537 9.886 1.00 0.00 C ATOM 222 C GLU A 17 -3.332 -4.165 8.703 1.00 0.00 C ATOM 223 O GLU A 17 -2.184 -3.823 8.417 1.00 0.00 O ATOM 224 CB GLU A 17 -4.253 -4.578 10.992 1.00 0.00 C ATOM 225 CG GLU A 17 -3.077 -4.670 11.950 1.00 0.00 C ATOM 226 CD GLU A 17 -3.181 -5.856 12.889 1.00 0.00 C ATOM 227 OE1 GLU A 17 -3.519 -6.961 12.416 1.00 0.00 O ATOM 228 OE2 GLU A 17 -2.924 -5.678 14.098 1.00 0.00 O ATOM 0 H GLU A 17 -6.092 -3.089 10.168 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.459 -2.715 10.270 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.153 -4.335 11.557 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.417 -5.554 10.536 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.152 -4.744 11.378 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.017 -3.752 12.535 1.00 0.00 H new ATOM 235 N SER A 18 -4.005 -5.084 8.018 1.00 0.00 N ATOM 236 CA SER A 18 -3.419 -5.763 6.868 1.00 0.00 C ATOM 237 C SER A 18 -3.186 -4.784 5.721 1.00 0.00 C ATOM 238 O SER A 18 -2.175 -4.858 5.022 1.00 0.00 O ATOM 239 CB SER A 18 -4.327 -6.903 6.405 1.00 0.00 C ATOM 240 OG SER A 18 -5.350 -6.425 5.549 1.00 0.00 O ATOM 0 H SER A 18 -4.957 -5.376 8.240 1.00 0.00 H new ATOM 0 HA SER A 18 -2.457 -6.176 7.172 1.00 0.00 H new ATOM 0 HB2 SER A 18 -3.735 -7.655 5.884 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.772 -7.392 7.271 1.00 0.00 H new ATOM 0 HG SER A 18 -5.926 -5.804 6.042 1.00 0.00 H new ATOM 246 N VAL A 19 -4.130 -3.867 5.533 1.00 0.00 N ATOM 247 CA VAL A 19 -4.029 -2.873 4.471 1.00 0.00 C ATOM 248 C VAL A 19 -2.742 -2.064 4.597 1.00 0.00 C ATOM 249 O VAL A 19 -1.973 -1.949 3.642 1.00 0.00 O ATOM 250 CB VAL A 19 -5.231 -1.910 4.488 1.00 0.00 C ATOM 251 CG1 VAL A 19 -5.087 -0.857 3.400 1.00 0.00 C ATOM 252 CG2 VAL A 19 -6.532 -2.681 4.326 1.00 0.00 C ATOM 0 H VAL A 19 -4.973 -3.792 6.102 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.022 -3.417 3.527 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.254 -1.401 5.452 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -5.945 -0.186 3.427 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.174 -0.285 3.566 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -5.038 -1.344 2.426 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -7.371 -1.986 4.340 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -6.521 -3.217 3.377 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -6.637 -3.393 5.144 1.00 0.00 H new ATOM 262 N LYS A 20 -2.514 -1.506 5.780 1.00 0.00 N ATOM 263 CA LYS A 20 -1.319 -0.709 6.033 1.00 0.00 C ATOM 264 C LYS A 20 -0.098 -1.330 5.363 1.00 0.00 C ATOM 265 O LYS A 20 0.730 -0.626 4.785 1.00 0.00 O ATOM 266 CB LYS A 20 -1.077 -0.579 7.539 1.00 0.00 C ATOM 267 CG LYS A 20 0.274 0.019 7.888 1.00 0.00 C ATOM 268 CD LYS A 20 0.244 0.716 9.238 1.00 0.00 C ATOM 269 CE LYS A 20 -0.446 2.069 9.151 1.00 0.00 C ATOM 270 NZ LYS A 20 -0.509 2.745 10.476 1.00 0.00 N ATOM 0 H LYS A 20 -3.141 -1.591 6.580 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.478 0.283 5.610 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.862 0.040 7.973 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.158 -1.564 7.998 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.029 -0.767 7.900 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.568 0.731 7.117 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.275 0.088 9.962 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.262 0.848 9.603 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.088 2.704 8.444 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.456 1.938 8.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.986 3.664 10.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.040 2.151 11.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.455 2.894 10.836 1.00 0.00 H new ATOM 284 N ILE A 21 0.006 -2.653 5.443 1.00 0.00 N ATOM 285 CA ILE A 21 1.124 -3.368 4.842 1.00 0.00 C ATOM 286 C ILE A 21 1.141 -3.189 3.328 1.00 0.00 C ATOM 287 O ILE A 21 2.185 -2.915 2.735 1.00 0.00 O ATOM 288 CB ILE A 21 1.072 -4.872 5.170 1.00 0.00 C ATOM 289 CG1 ILE A 21 1.366 -5.103 6.653 1.00 0.00 C ATOM 290 CG2 ILE A 21 2.060 -5.638 4.303 1.00 0.00 C ATOM 291 CD1 ILE A 21 0.129 -5.087 7.524 1.00 0.00 C ATOM 0 H ILE A 21 -0.671 -3.250 5.918 1.00 0.00 H new ATOM 0 HA ILE A 21 2.034 -2.944 5.265 1.00 0.00 H new ATOM 0 HB ILE A 21 0.069 -5.241 4.956 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.870 -6.062 6.770 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.056 -4.335 7.002 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.011 -6.699 4.547 1.00 0.00 H new ATOM 0 HG22 ILE A 21 1.809 -5.495 3.252 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.069 -5.269 4.488 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.413 -5.257 8.562 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.365 -4.119 7.437 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.554 -5.873 7.201 1.00 0.00 H new ATOM 303 N LEU A 22 -0.023 -3.345 2.706 1.00 0.00 N ATOM 304 CA LEU A 22 -0.144 -3.199 1.260 1.00 0.00 C ATOM 305 C LEU A 22 0.010 -1.739 0.845 1.00 0.00 C ATOM 306 O LEU A 22 0.852 -1.406 0.011 1.00 0.00 O ATOM 307 CB LEU A 22 -1.494 -3.737 0.784 1.00 0.00 C ATOM 308 CG LEU A 22 -1.706 -5.244 0.929 1.00 0.00 C ATOM 309 CD1 LEU A 22 -3.072 -5.645 0.397 1.00 0.00 C ATOM 310 CD2 LEU A 22 -0.605 -6.008 0.207 1.00 0.00 C ATOM 0 H LEU A 22 -0.896 -3.573 3.181 1.00 0.00 H new ATOM 0 HA LEU A 22 0.654 -3.776 0.794 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.282 -3.225 1.337 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.618 -3.473 -0.266 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.664 -5.498 1.988 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.204 -6.721 0.509 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.848 -5.124 0.957 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.145 -5.378 -0.657 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.771 -7.079 0.320 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.616 -5.749 -0.852 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.362 -5.744 0.635 1.00 0.00 H new ATOM 322 N ARG A 23 -0.807 -0.873 1.435 1.00 0.00 N ATOM 323 CA ARG A 23 -0.760 0.552 1.128 1.00 0.00 C ATOM 324 C ARG A 23 0.672 1.074 1.184 1.00 0.00 C ATOM 325 O ARG A 23 1.204 1.564 0.188 1.00 0.00 O ATOM 326 CB ARG A 23 -1.639 1.335 2.105 1.00 0.00 C ATOM 327 CG ARG A 23 -3.100 1.403 1.691 1.00 0.00 C ATOM 328 CD ARG A 23 -3.889 2.346 2.586 1.00 0.00 C ATOM 329 NE ARG A 23 -3.361 3.707 2.547 1.00 0.00 N ATOM 330 CZ ARG A 23 -2.371 4.133 3.323 1.00 0.00 C ATOM 331 NH1 ARG A 23 -1.803 3.308 4.193 1.00 0.00 N ATOM 332 NH2 ARG A 23 -1.945 5.386 3.230 1.00 0.00 N ATOM 0 H ARG A 23 -1.509 -1.133 2.128 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.139 0.693 0.116 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.571 0.875 3.091 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.249 2.349 2.199 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.171 1.737 0.656 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.539 0.406 1.735 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -4.933 2.353 2.274 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -3.865 1.977 3.611 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.775 4.366 1.888 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.126 2.343 4.267 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -1.043 3.638 4.788 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.378 6.024 2.562 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.185 5.712 3.827 1.00 0.00 H new ATOM 346 N ASP A 24 1.290 0.965 2.355 1.00 0.00 N ATOM 347 CA ASP A 24 2.661 1.426 2.541 1.00 0.00 C ATOM 348 C ASP A 24 3.502 1.147 1.299 1.00 0.00 C ATOM 349 O ASP A 24 4.237 2.014 0.827 1.00 0.00 O ATOM 350 CB ASP A 24 3.289 0.747 3.760 1.00 0.00 C ATOM 351 CG ASP A 24 4.417 1.563 4.360 1.00 0.00 C ATOM 352 OD1 ASP A 24 4.126 2.551 5.066 1.00 0.00 O ATOM 353 OD2 ASP A 24 5.592 1.212 4.123 1.00 0.00 O ATOM 0 H ASP A 24 0.864 0.562 3.189 1.00 0.00 H new ATOM 0 HA ASP A 24 2.636 2.503 2.707 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.521 0.582 4.516 1.00 0.00 H new ATOM 0 HB3 ASP A 24 3.667 -0.234 3.471 1.00 0.00 H new ATOM 358 N TRP A 25 3.389 -0.069 0.776 1.00 0.00 N ATOM 359 CA TRP A 25 4.140 -0.462 -0.411 1.00 0.00 C ATOM 360 C TRP A 25 3.574 0.206 -1.659 1.00 0.00 C ATOM 361 O TRP A 25 4.323 0.665 -2.521 1.00 0.00 O ATOM 362 CB TRP A 25 4.114 -1.983 -0.575 1.00 0.00 C ATOM 363 CG TRP A 25 4.735 -2.453 -1.855 1.00 0.00 C ATOM 364 CD1 TRP A 25 5.988 -2.971 -2.016 1.00 0.00 C ATOM 365 CD2 TRP A 25 4.133 -2.445 -3.154 1.00 0.00 C ATOM 366 NE1 TRP A 25 6.201 -3.286 -3.337 1.00 0.00 N ATOM 367 CE2 TRP A 25 5.077 -2.974 -4.055 1.00 0.00 C ATOM 368 CE3 TRP A 25 2.886 -2.044 -3.643 1.00 0.00 C ATOM 369 CZ2 TRP A 25 4.813 -3.110 -5.415 1.00 0.00 C ATOM 370 CZ3 TRP A 25 2.625 -2.180 -4.993 1.00 0.00 C ATOM 371 CH2 TRP A 25 3.584 -2.710 -5.867 1.00 0.00 C ATOM 0 H TRP A 25 2.785 -0.799 1.155 1.00 0.00 H new ATOM 0 HA TRP A 25 5.172 -0.135 -0.283 1.00 0.00 H new ATOM 0 HB2 TRP A 25 4.638 -2.441 0.264 1.00 0.00 H new ATOM 0 HB3 TRP A 25 3.081 -2.328 -0.532 1.00 0.00 H new ATOM 0 HD1 TRP A 25 6.706 -3.112 -1.222 1.00 0.00 H new ATOM 0 HE1 TRP A 25 7.057 -3.687 -3.720 1.00 0.00 H new ATOM 0 HE3 TRP A 25 2.140 -1.635 -2.977 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 5.552 -3.517 -6.090 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 1.665 -1.873 -5.382 1.00 0.00 H new ATOM 0 HH2 TRP A 25 3.349 -2.805 -6.917 1.00 0.00 H new ATOM 382 N MET A 26 2.249 0.257 -1.749 1.00 0.00 N ATOM 383 CA MET A 26 1.584 0.871 -2.893 1.00 0.00 C ATOM 384 C MET A 26 1.962 2.344 -3.015 1.00 0.00 C ATOM 385 O MET A 26 1.917 2.918 -4.103 1.00 0.00 O ATOM 386 CB MET A 26 0.067 0.730 -2.763 1.00 0.00 C ATOM 387 CG MET A 26 -0.708 1.526 -3.801 1.00 0.00 C ATOM 388 SD MET A 26 -2.457 1.685 -3.391 1.00 0.00 S ATOM 389 CE MET A 26 -3.210 0.897 -4.812 1.00 0.00 C ATOM 0 H MET A 26 1.615 -0.119 -1.044 1.00 0.00 H new ATOM 0 HA MET A 26 1.913 0.354 -3.794 1.00 0.00 H new ATOM 0 HB2 MET A 26 -0.201 -0.323 -2.850 1.00 0.00 H new ATOM 0 HB3 MET A 26 -0.236 1.055 -1.768 1.00 0.00 H new ATOM 0 HG2 MET A 26 -0.269 2.519 -3.894 1.00 0.00 H new ATOM 0 HG3 MET A 26 -0.609 1.042 -4.773 1.00 0.00 H new ATOM 0 HE1 MET A 26 -4.278 0.772 -4.635 1.00 0.00 H new ATOM 0 HE2 MET A 26 -3.058 1.518 -5.695 1.00 0.00 H new ATOM 0 HE3 MET A 26 -2.752 -0.079 -4.972 1.00 0.00 H new ATOM 399 N TYR A 27 2.333 2.949 -1.892 1.00 0.00 N ATOM 400 CA TYR A 27 2.715 4.356 -1.874 1.00 0.00 C ATOM 401 C TYR A 27 4.032 4.573 -2.612 1.00 0.00 C ATOM 402 O TYR A 27 4.130 5.425 -3.496 1.00 0.00 O ATOM 403 CB TYR A 27 2.838 4.854 -0.432 1.00 0.00 C ATOM 404 CG TYR A 27 3.051 6.347 -0.323 1.00 0.00 C ATOM 405 CD1 TYR A 27 2.036 7.239 -0.647 1.00 0.00 C ATOM 406 CD2 TYR A 27 4.267 6.865 0.105 1.00 0.00 C ATOM 407 CE1 TYR A 27 2.227 8.604 -0.550 1.00 0.00 C ATOM 408 CE2 TYR A 27 4.466 8.229 0.207 1.00 0.00 C ATOM 409 CZ TYR A 27 3.444 9.093 -0.122 1.00 0.00 C ATOM 410 OH TYR A 27 3.637 10.452 -0.023 1.00 0.00 O ATOM 0 H TYR A 27 2.377 2.488 -0.983 1.00 0.00 H new ATOM 0 HA TYR A 27 1.936 4.924 -2.383 1.00 0.00 H new ATOM 0 HB2 TYR A 27 1.935 4.583 0.115 1.00 0.00 H new ATOM 0 HB3 TYR A 27 3.669 4.341 0.051 1.00 0.00 H new ATOM 0 HD1 TYR A 27 1.082 6.859 -0.980 1.00 0.00 H new ATOM 0 HD2 TYR A 27 5.070 6.191 0.362 1.00 0.00 H new ATOM 0 HE1 TYR A 27 1.428 9.284 -0.808 1.00 0.00 H new ATOM 0 HE2 TYR A 27 5.417 8.615 0.543 1.00 0.00 H new ATOM 0 HH TYR A 27 4.547 10.631 0.294 1.00 0.00 H new ATOM 420 N LYS A 28 5.044 3.794 -2.245 1.00 0.00 N ATOM 421 CA LYS A 28 6.356 3.896 -2.872 1.00 0.00 C ATOM 422 C LYS A 28 6.274 3.577 -4.362 1.00 0.00 C ATOM 423 O LYS A 28 6.831 4.296 -5.192 1.00 0.00 O ATOM 424 CB LYS A 28 7.346 2.948 -2.191 1.00 0.00 C ATOM 425 CG LYS A 28 7.759 3.397 -0.800 1.00 0.00 C ATOM 426 CD LYS A 28 8.963 2.619 -0.298 1.00 0.00 C ATOM 427 CE LYS A 28 9.105 2.724 1.213 1.00 0.00 C ATOM 428 NZ LYS A 28 9.617 4.059 1.630 1.00 0.00 N ATOM 0 H LYS A 28 4.980 3.084 -1.515 1.00 0.00 H new ATOM 0 HA LYS A 28 6.706 4.922 -2.756 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.900 1.956 -2.126 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.236 2.857 -2.814 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.993 4.462 -0.815 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.925 3.263 -0.111 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.865 1.572 -0.583 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.867 2.997 -0.776 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.138 2.543 1.682 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.782 1.948 1.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.700 4.091 2.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.551 4.221 1.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.958 4.798 1.313 1.00 0.00 H new ATOM 442 N HIS A 29 5.574 2.497 -4.693 1.00 0.00 N ATOM 443 CA HIS A 29 5.417 2.085 -6.083 1.00 0.00 C ATOM 444 C HIS A 29 4.153 2.687 -6.689 1.00 0.00 C ATOM 445 O HIS A 29 3.809 2.406 -7.838 1.00 0.00 O ATOM 446 CB HIS A 29 5.368 0.560 -6.183 1.00 0.00 C ATOM 447 CG HIS A 29 6.488 -0.124 -5.460 1.00 0.00 C ATOM 448 ND1 HIS A 29 6.543 -0.662 -4.219 1.00 0.00 N flip ATOM 449 CD2 HIS A 29 7.736 -0.315 -6.015 1.00 0.00 C flip ATOM 450 CE1 HIS A 29 7.810 -1.164 -4.049 1.00 0.00 C flip ATOM 451 NE2 HIS A 29 8.510 -0.942 -5.147 1.00 0.00 N flip ATOM 0 H HIS A 29 5.107 1.892 -4.018 1.00 0.00 H new ATOM 0 HA HIS A 29 6.277 2.451 -6.644 1.00 0.00 H new ATOM 0 HB2 HIS A 29 4.418 0.208 -5.781 1.00 0.00 H new ATOM 0 HB3 HIS A 29 5.395 0.272 -7.234 1.00 0.00 H new ATOM 0 HD1 HIS A 29 5.785 -0.689 -3.537 1.00 0.00 H new ATOM 0 HD2 HIS A 29 8.034 -0.001 -7.004 1.00 0.00 H new ATOM 0 HE1 HIS A 29 8.175 -1.660 -3.162 1.00 0.00 H new ATOM 460 N ARG A 30 3.465 3.514 -5.909 1.00 0.00 N ATOM 461 CA ARG A 30 2.238 4.154 -6.368 1.00 0.00 C ATOM 462 C ARG A 30 2.339 4.526 -7.845 1.00 0.00 C ATOM 463 O ARG A 30 1.385 4.356 -8.605 1.00 0.00 O ATOM 464 CB ARG A 30 1.947 5.403 -5.535 1.00 0.00 C ATOM 465 CG ARG A 30 2.916 6.545 -5.790 1.00 0.00 C ATOM 466 CD ARG A 30 2.684 7.699 -4.827 1.00 0.00 C ATOM 467 NE ARG A 30 3.050 8.985 -5.415 1.00 0.00 N ATOM 468 CZ ARG A 30 4.285 9.473 -5.404 1.00 0.00 C ATOM 469 NH1 ARG A 30 5.268 8.786 -4.838 1.00 0.00 N ATOM 470 NH2 ARG A 30 4.540 10.651 -5.959 1.00 0.00 N ATOM 0 H ARG A 30 3.736 3.757 -4.956 1.00 0.00 H new ATOM 0 HA ARG A 30 1.419 3.445 -6.245 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.934 5.743 -5.748 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.979 5.140 -4.478 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.940 6.185 -5.688 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.803 6.897 -6.815 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.635 7.720 -4.533 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.266 7.537 -3.920 1.00 0.00 H new ATOM 0 HE ARG A 30 2.317 9.539 -5.858 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.076 7.880 -4.410 1.00 0.00 H new ATOM 0 HH12 ARG A 30 6.216 9.163 -4.831 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.787 11.183 -6.395 1.00 0.00 H new ATOM 0 HH22 ARG A 30 5.489 11.024 -5.950 1.00 0.00 H new ATOM 484 N PHE A 31 3.499 5.035 -8.244 1.00 0.00 N ATOM 485 CA PHE A 31 3.724 5.433 -9.629 1.00 0.00 C ATOM 486 C PHE A 31 3.048 4.460 -10.590 1.00 0.00 C ATOM 487 O PHE A 31 2.381 4.871 -11.540 1.00 0.00 O ATOM 488 CB PHE A 31 5.224 5.501 -9.925 1.00 0.00 C ATOM 489 CG PHE A 31 5.826 6.851 -9.662 1.00 0.00 C ATOM 490 CD1 PHE A 31 5.515 7.550 -8.507 1.00 0.00 C ATOM 491 CD2 PHE A 31 6.704 7.421 -10.570 1.00 0.00 C ATOM 492 CE1 PHE A 31 6.068 8.793 -8.263 1.00 0.00 C ATOM 493 CE2 PHE A 31 7.260 8.664 -10.331 1.00 0.00 C ATOM 494 CZ PHE A 31 6.942 9.350 -9.176 1.00 0.00 C ATOM 0 H PHE A 31 4.299 5.182 -7.628 1.00 0.00 H new ATOM 0 HA PHE A 31 3.287 6.421 -9.773 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.740 4.757 -9.318 1.00 0.00 H new ATOM 0 HB3 PHE A 31 5.393 5.234 -10.968 1.00 0.00 H new ATOM 0 HD1 PHE A 31 4.833 7.119 -7.789 1.00 0.00 H new ATOM 0 HD2 PHE A 31 6.957 6.888 -11.475 1.00 0.00 H new ATOM 0 HE1 PHE A 31 5.817 9.328 -7.359 1.00 0.00 H new ATOM 0 HE2 PHE A 31 7.942 9.098 -11.047 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.376 10.321 -8.987 1.00 0.00 H new ATOM 504 N LYS A 32 3.225 3.168 -10.338 1.00 0.00 N ATOM 505 CA LYS A 32 2.632 2.135 -11.179 1.00 0.00 C ATOM 506 C LYS A 32 1.429 1.498 -10.492 1.00 0.00 C ATOM 507 O LYS A 32 0.467 1.099 -11.148 1.00 0.00 O ATOM 508 CB LYS A 32 3.671 1.061 -11.511 1.00 0.00 C ATOM 509 CG LYS A 32 4.184 0.314 -10.292 1.00 0.00 C ATOM 510 CD LYS A 32 5.259 -0.692 -10.667 1.00 0.00 C ATOM 511 CE LYS A 32 6.641 -0.056 -10.672 1.00 0.00 C ATOM 512 NZ LYS A 32 7.689 -1.008 -11.132 1.00 0.00 N ATOM 0 H LYS A 32 3.775 2.811 -9.557 1.00 0.00 H new ATOM 0 HA LYS A 32 2.294 2.604 -12.103 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.232 0.346 -12.207 1.00 0.00 H new ATOM 0 HB3 LYS A 32 4.513 1.528 -12.022 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.586 1.025 -9.570 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.356 -0.201 -9.805 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.243 -1.523 -9.962 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.044 -1.105 -11.652 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.635 0.819 -11.322 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.883 0.293 -9.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.616 -0.536 -11.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.712 -1.832 -10.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.472 -1.322 -12.099 1.00 0.00 H new ATOM 526 N ALA A 33 1.488 1.408 -9.167 1.00 0.00 N ATOM 527 CA ALA A 33 0.402 0.823 -8.392 1.00 0.00 C ATOM 528 C ALA A 33 0.122 -0.610 -8.832 1.00 0.00 C ATOM 529 O ALA A 33 -1.024 -0.978 -9.092 1.00 0.00 O ATOM 530 CB ALA A 33 -0.855 1.671 -8.521 1.00 0.00 C ATOM 0 H ALA A 33 2.277 1.733 -8.608 1.00 0.00 H new ATOM 0 HA ALA A 33 0.707 0.801 -7.346 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -1.658 1.222 -7.937 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.655 2.676 -8.151 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.153 1.723 -9.568 1.00 0.00 H new ATOM 536 N TYR A 34 1.176 -1.415 -8.915 1.00 0.00 N ATOM 537 CA TYR A 34 1.045 -2.807 -9.327 1.00 0.00 C ATOM 538 C TYR A 34 2.260 -3.621 -8.894 1.00 0.00 C ATOM 539 O TYR A 34 3.341 -3.527 -9.476 1.00 0.00 O ATOM 540 CB TYR A 34 0.870 -2.897 -10.844 1.00 0.00 C ATOM 541 CG TYR A 34 -0.502 -2.478 -11.322 1.00 0.00 C ATOM 542 CD1 TYR A 34 -1.633 -3.203 -10.968 1.00 0.00 C ATOM 543 CD2 TYR A 34 -0.666 -1.358 -12.127 1.00 0.00 C ATOM 544 CE1 TYR A 34 -2.889 -2.825 -11.403 1.00 0.00 C ATOM 545 CE2 TYR A 34 -1.918 -0.971 -12.565 1.00 0.00 C ATOM 546 CZ TYR A 34 -3.026 -1.708 -12.201 1.00 0.00 C ATOM 547 OH TYR A 34 -4.274 -1.326 -12.636 1.00 0.00 O ATOM 0 H TYR A 34 2.131 -1.127 -8.702 1.00 0.00 H new ATOM 0 HA TYR A 34 0.162 -3.222 -8.841 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.620 -2.270 -11.326 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.059 -3.922 -11.163 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -1.529 -4.077 -10.342 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.200 -0.780 -12.415 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -3.758 -3.400 -11.120 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -2.029 -0.096 -13.189 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.196 -0.519 -13.187 1.00 0.00 H new ATOM 557 N PRO A 35 2.081 -4.439 -7.847 1.00 0.00 N ATOM 558 CA PRO A 35 3.150 -5.287 -7.312 1.00 0.00 C ATOM 559 C PRO A 35 3.520 -6.422 -8.261 1.00 0.00 C ATOM 560 O PRO A 35 2.869 -6.623 -9.286 1.00 0.00 O ATOM 561 CB PRO A 35 2.549 -5.845 -6.020 1.00 0.00 C ATOM 562 CG PRO A 35 1.076 -5.804 -6.240 1.00 0.00 C ATOM 563 CD PRO A 35 0.819 -4.601 -7.105 1.00 0.00 C ATOM 0 HA PRO A 35 4.075 -4.730 -7.162 1.00 0.00 H new ATOM 0 HB2 PRO A 35 2.893 -6.862 -5.830 1.00 0.00 H new ATOM 0 HB3 PRO A 35 2.837 -5.244 -5.157 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.729 -6.716 -6.726 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.542 -5.725 -5.293 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.024 -4.762 -7.777 1.00 0.00 H new ATOM 0 HD3 PRO A 35 0.588 -3.719 -6.508 1.00 0.00 H new ATOM 571 N SER A 36 4.569 -7.161 -7.913 1.00 0.00 N ATOM 572 CA SER A 36 5.027 -8.274 -8.736 1.00 0.00 C ATOM 573 C SER A 36 4.807 -9.604 -8.022 1.00 0.00 C ATOM 574 O SER A 36 4.810 -9.668 -6.793 1.00 0.00 O ATOM 575 CB SER A 36 6.508 -8.106 -9.080 1.00 0.00 C ATOM 576 OG SER A 36 6.822 -8.743 -10.306 1.00 0.00 O ATOM 0 H SER A 36 5.118 -7.009 -7.067 1.00 0.00 H new ATOM 0 HA SER A 36 4.445 -8.276 -9.658 1.00 0.00 H new ATOM 0 HB2 SER A 36 6.752 -7.046 -9.145 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.120 -8.525 -8.281 1.00 0.00 H new ATOM 0 HG SER A 36 7.774 -8.620 -10.504 1.00 0.00 H new ATOM 582 N GLU A 37 4.617 -10.663 -8.802 1.00 0.00 N ATOM 583 CA GLU A 37 4.395 -11.992 -8.244 1.00 0.00 C ATOM 584 C GLU A 37 5.192 -12.182 -6.957 1.00 0.00 C ATOM 585 O GLU A 37 4.754 -12.877 -6.041 1.00 0.00 O ATOM 586 CB GLU A 37 4.783 -13.068 -9.261 1.00 0.00 C ATOM 587 CG GLU A 37 4.139 -14.418 -8.995 1.00 0.00 C ATOM 588 CD GLU A 37 4.597 -15.485 -9.970 1.00 0.00 C ATOM 589 OE1 GLU A 37 4.715 -15.178 -11.174 1.00 0.00 O ATOM 590 OE2 GLU A 37 4.838 -16.628 -9.527 1.00 0.00 O ATOM 0 H GLU A 37 4.612 -10.627 -9.821 1.00 0.00 H new ATOM 0 HA GLU A 37 3.334 -12.088 -8.011 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.502 -12.731 -10.259 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.867 -13.185 -9.258 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.374 -14.735 -7.979 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.055 -14.318 -9.055 1.00 0.00 H new ATOM 597 N GLU A 38 6.365 -11.559 -6.897 1.00 0.00 N ATOM 598 CA GLU A 38 7.223 -11.661 -5.722 1.00 0.00 C ATOM 599 C GLU A 38 6.699 -10.786 -4.588 1.00 0.00 C ATOM 600 O GLU A 38 6.555 -11.243 -3.454 1.00 0.00 O ATOM 601 CB GLU A 38 8.656 -11.255 -6.074 1.00 0.00 C ATOM 602 CG GLU A 38 9.437 -12.341 -6.794 1.00 0.00 C ATOM 603 CD GLU A 38 9.239 -13.711 -6.174 1.00 0.00 C ATOM 604 OE1 GLU A 38 9.965 -14.037 -5.211 1.00 0.00 O ATOM 605 OE2 GLU A 38 8.358 -14.456 -6.651 1.00 0.00 O ATOM 0 H GLU A 38 6.742 -10.979 -7.647 1.00 0.00 H new ATOM 0 HA GLU A 38 7.218 -12.699 -5.389 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.629 -10.363 -6.700 1.00 0.00 H new ATOM 0 HB3 GLU A 38 9.184 -10.986 -5.159 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.130 -12.372 -7.839 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.498 -12.090 -6.781 1.00 0.00 H new ATOM 612 N GLU A 39 6.416 -9.526 -4.902 1.00 0.00 N ATOM 613 CA GLU A 39 5.910 -8.586 -3.909 1.00 0.00 C ATOM 614 C GLU A 39 4.669 -9.143 -3.216 1.00 0.00 C ATOM 615 O GLU A 39 4.606 -9.209 -1.988 1.00 0.00 O ATOM 616 CB GLU A 39 5.581 -7.243 -4.565 1.00 0.00 C ATOM 617 CG GLU A 39 6.744 -6.642 -5.336 1.00 0.00 C ATOM 618 CD GLU A 39 7.866 -6.175 -4.429 1.00 0.00 C ATOM 619 OE1 GLU A 39 8.422 -7.016 -3.691 1.00 0.00 O ATOM 620 OE2 GLU A 39 8.189 -4.969 -4.458 1.00 0.00 O ATOM 0 H GLU A 39 6.529 -9.133 -5.836 1.00 0.00 H new ATOM 0 HA GLU A 39 6.687 -8.435 -3.160 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.737 -7.376 -5.242 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.264 -6.540 -3.795 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.132 -7.382 -6.036 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.386 -5.800 -5.928 1.00 0.00 H new ATOM 627 N LYS A 40 3.684 -9.543 -4.012 1.00 0.00 N ATOM 628 CA LYS A 40 2.445 -10.096 -3.478 1.00 0.00 C ATOM 629 C LYS A 40 2.729 -11.272 -2.550 1.00 0.00 C ATOM 630 O LYS A 40 2.357 -11.252 -1.377 1.00 0.00 O ATOM 631 CB LYS A 40 1.528 -10.543 -4.619 1.00 0.00 C ATOM 632 CG LYS A 40 1.744 -9.772 -5.910 1.00 0.00 C ATOM 633 CD LYS A 40 0.551 -9.900 -6.842 1.00 0.00 C ATOM 634 CE LYS A 40 0.863 -9.349 -8.226 1.00 0.00 C ATOM 635 NZ LYS A 40 -0.246 -9.605 -9.187 1.00 0.00 N ATOM 0 H LYS A 40 3.719 -9.495 -5.030 1.00 0.00 H new ATOM 0 HA LYS A 40 1.946 -9.315 -2.904 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.688 -11.604 -4.808 1.00 0.00 H new ATOM 0 HB3 LYS A 40 0.490 -10.428 -4.306 1.00 0.00 H new ATOM 0 HG2 LYS A 40 1.918 -8.720 -5.682 1.00 0.00 H new ATOM 0 HG3 LYS A 40 2.639 -10.142 -6.410 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.262 -10.948 -6.923 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.301 -9.366 -6.420 1.00 0.00 H new ATOM 0 HE2 LYS A 40 1.044 -8.276 -8.158 1.00 0.00 H new ATOM 0 HE3 LYS A 40 1.780 -9.804 -8.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.004 -9.215 -10.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.402 -10.630 -9.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -1.115 -9.149 -8.843 1.00 0.00 H new ATOM 649 N GLN A 41 3.390 -12.295 -3.083 1.00 0.00 N ATOM 650 CA GLN A 41 3.724 -13.479 -2.301 1.00 0.00 C ATOM 651 C GLN A 41 4.395 -13.092 -0.987 1.00 0.00 C ATOM 652 O GLN A 41 4.238 -13.774 0.025 1.00 0.00 O ATOM 653 CB GLN A 41 4.642 -14.404 -3.103 1.00 0.00 C ATOM 654 CG GLN A 41 4.738 -15.809 -2.533 1.00 0.00 C ATOM 655 CD GLN A 41 3.379 -16.419 -2.251 1.00 0.00 C ATOM 656 OE1 GLN A 41 2.841 -17.169 -3.066 1.00 0.00 O ATOM 657 NE2 GLN A 41 2.816 -16.100 -1.091 1.00 0.00 N ATOM 0 H GLN A 41 3.704 -12.327 -4.053 1.00 0.00 H new ATOM 0 HA GLN A 41 2.798 -14.006 -2.073 1.00 0.00 H new ATOM 0 HB2 GLN A 41 4.279 -14.461 -4.129 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.640 -13.968 -3.141 1.00 0.00 H new ATOM 0 HG2 GLN A 41 5.279 -16.445 -3.234 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.319 -15.784 -1.611 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.298 -15.474 -0.445 1.00 0.00 H new ATOM 0 HE22 GLN A 41 1.902 -16.481 -0.846 1.00 0.00 H new ATOM 666 N MET A 42 5.143 -11.994 -1.011 1.00 0.00 N ATOM 667 CA MET A 42 5.837 -11.517 0.179 1.00 0.00 C ATOM 668 C MET A 42 4.861 -10.864 1.152 1.00 0.00 C ATOM 669 O MET A 42 4.814 -11.217 2.331 1.00 0.00 O ATOM 670 CB MET A 42 6.932 -10.521 -0.208 1.00 0.00 C ATOM 671 CG MET A 42 7.279 -9.538 0.898 1.00 0.00 C ATOM 672 SD MET A 42 8.423 -8.255 0.355 1.00 0.00 S ATOM 673 CE MET A 42 7.300 -7.124 -0.464 1.00 0.00 C ATOM 0 H MET A 42 5.284 -11.418 -1.841 1.00 0.00 H new ATOM 0 HA MET A 42 6.294 -12.375 0.671 1.00 0.00 H new ATOM 0 HB2 MET A 42 7.830 -11.072 -0.488 1.00 0.00 H new ATOM 0 HB3 MET A 42 6.611 -9.965 -1.089 1.00 0.00 H new ATOM 0 HG2 MET A 42 6.364 -9.072 1.264 1.00 0.00 H new ATOM 0 HG3 MET A 42 7.718 -10.080 1.736 1.00 0.00 H new ATOM 0 HE1 MET A 42 7.834 -6.582 -1.245 1.00 0.00 H new ATOM 0 HE2 MET A 42 6.479 -7.685 -0.909 1.00 0.00 H new ATOM 0 HE3 MET A 42 6.903 -6.415 0.263 1.00 0.00 H new ATOM 683 N LEU A 43 4.083 -9.910 0.653 1.00 0.00 N ATOM 684 CA LEU A 43 3.108 -9.207 1.479 1.00 0.00 C ATOM 685 C LEU A 43 2.119 -10.185 2.105 1.00 0.00 C ATOM 686 O LEU A 43 1.799 -10.086 3.290 1.00 0.00 O ATOM 687 CB LEU A 43 2.356 -8.170 0.643 1.00 0.00 C ATOM 688 CG LEU A 43 3.221 -7.155 -0.105 1.00 0.00 C ATOM 689 CD1 LEU A 43 2.507 -6.663 -1.355 1.00 0.00 C ATOM 690 CD2 LEU A 43 3.579 -5.987 0.802 1.00 0.00 C ATOM 0 H LEU A 43 4.108 -9.605 -0.320 1.00 0.00 H new ATOM 0 HA LEU A 43 3.646 -8.699 2.280 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.739 -8.698 -0.085 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.678 -7.625 1.300 1.00 0.00 H new ATOM 0 HG LEU A 43 4.144 -7.648 -0.409 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.138 -5.941 -1.874 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.303 -7.507 -2.014 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.567 -6.187 -1.074 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.195 -5.275 0.252 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.667 -5.494 1.138 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.132 -6.354 1.666 1.00 0.00 H new ATOM 702 N SER A 44 1.642 -11.131 1.303 1.00 0.00 N ATOM 703 CA SER A 44 0.689 -12.127 1.779 1.00 0.00 C ATOM 704 C SER A 44 1.148 -12.730 3.103 1.00 0.00 C ATOM 705 O SER A 44 0.337 -13.221 3.887 1.00 0.00 O ATOM 706 CB SER A 44 0.512 -13.233 0.736 1.00 0.00 C ATOM 707 OG SER A 44 0.211 -14.473 1.354 1.00 0.00 O ATOM 0 H SER A 44 1.900 -11.229 0.321 1.00 0.00 H new ATOM 0 HA SER A 44 -0.268 -11.631 1.939 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.288 -12.963 0.047 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.423 -13.329 0.145 1.00 0.00 H new ATOM 0 HG SER A 44 -0.598 -14.379 1.899 1.00 0.00 H new ATOM 713 N GLU A 45 2.455 -12.688 3.344 1.00 0.00 N ATOM 714 CA GLU A 45 3.022 -13.230 4.573 1.00 0.00 C ATOM 715 C GLU A 45 2.769 -12.292 5.749 1.00 0.00 C ATOM 716 O GLU A 45 2.482 -12.736 6.861 1.00 0.00 O ATOM 717 CB GLU A 45 4.525 -13.464 4.407 1.00 0.00 C ATOM 718 CG GLU A 45 4.866 -14.517 3.367 1.00 0.00 C ATOM 719 CD GLU A 45 6.305 -14.988 3.463 1.00 0.00 C ATOM 720 OE1 GLU A 45 7.190 -14.142 3.708 1.00 0.00 O ATOM 721 OE2 GLU A 45 6.545 -16.201 3.293 1.00 0.00 O ATOM 0 H GLU A 45 3.140 -12.285 2.705 1.00 0.00 H new ATOM 0 HA GLU A 45 2.534 -14.182 4.779 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.002 -12.524 4.130 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.946 -13.764 5.367 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.199 -15.371 3.488 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.686 -14.111 2.372 1.00 0.00 H new ATOM 728 N LYS A 46 2.877 -10.992 5.496 1.00 0.00 N ATOM 729 CA LYS A 46 2.660 -9.990 6.532 1.00 0.00 C ATOM 730 C LYS A 46 1.170 -9.750 6.753 1.00 0.00 C ATOM 731 O LYS A 46 0.717 -9.586 7.886 1.00 0.00 O ATOM 732 CB LYS A 46 3.348 -8.676 6.152 1.00 0.00 C ATOM 733 CG LYS A 46 4.831 -8.829 5.863 1.00 0.00 C ATOM 734 CD LYS A 46 5.304 -7.820 4.830 1.00 0.00 C ATOM 735 CE LYS A 46 5.779 -6.532 5.485 1.00 0.00 C ATOM 736 NZ LYS A 46 5.716 -5.377 4.547 1.00 0.00 N ATOM 0 H LYS A 46 3.114 -10.608 4.581 1.00 0.00 H new ATOM 0 HA LYS A 46 3.092 -10.364 7.460 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.856 -8.259 5.273 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.216 -7.959 6.962 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.398 -8.700 6.785 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.031 -9.839 5.505 1.00 0.00 H new ATOM 0 HD2 LYS A 46 6.115 -8.251 4.243 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.492 -7.599 4.137 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.165 -6.322 6.361 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.803 -6.659 5.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.671 -4.987 4.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.339 -5.694 3.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.095 -4.643 4.942 1.00 0.00 H new ATOM 750 N THR A 47 0.410 -9.731 5.662 1.00 0.00 N ATOM 751 CA THR A 47 -1.029 -9.511 5.736 1.00 0.00 C ATOM 752 C THR A 47 -1.776 -10.825 5.936 1.00 0.00 C ATOM 753 O THR A 47 -2.946 -10.833 6.317 1.00 0.00 O ATOM 754 CB THR A 47 -1.559 -8.821 4.466 1.00 0.00 C ATOM 755 OG1 THR A 47 -1.318 -9.648 3.322 1.00 0.00 O ATOM 756 CG2 THR A 47 -0.893 -7.467 4.268 1.00 0.00 C ATOM 0 H THR A 47 0.768 -9.865 4.716 1.00 0.00 H new ATOM 0 HA THR A 47 -1.205 -8.861 6.593 1.00 0.00 H new ATOM 0 HB THR A 47 -2.632 -8.667 4.583 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.353 -9.710 3.160 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.283 -6.998 3.365 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.102 -6.830 5.127 1.00 0.00 H new ATOM 0 HG23 THR A 47 0.184 -7.602 4.170 1.00 0.00 H new ATOM 764 N ASN A 48 -1.092 -11.935 5.676 1.00 0.00 N ATOM 765 CA ASN A 48 -1.692 -13.255 5.827 1.00 0.00 C ATOM 766 C ASN A 48 -2.834 -13.451 4.835 1.00 0.00 C ATOM 767 O ASN A 48 -3.783 -14.189 5.102 1.00 0.00 O ATOM 768 CB ASN A 48 -2.205 -13.445 7.257 1.00 0.00 C ATOM 769 CG ASN A 48 -2.769 -14.833 7.489 1.00 0.00 C ATOM 770 OD1 ASN A 48 -2.393 -15.789 6.811 1.00 0.00 O ATOM 771 ND2 ASN A 48 -3.677 -14.949 8.451 1.00 0.00 N ATOM 0 H ASN A 48 -0.122 -11.946 5.360 1.00 0.00 H new ATOM 0 HA ASN A 48 -0.924 -14.001 5.621 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -1.391 -13.265 7.959 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -2.976 -12.703 7.465 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.093 -15.858 8.653 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.959 -14.129 8.988 1.00 0.00 H new ATOM 778 N LEU A 49 -2.735 -12.786 3.690 1.00 0.00 N ATOM 779 CA LEU A 49 -3.760 -12.887 2.656 1.00 0.00 C ATOM 780 C LEU A 49 -3.299 -13.793 1.519 1.00 0.00 C ATOM 781 O LEU A 49 -2.223 -14.388 1.584 1.00 0.00 O ATOM 782 CB LEU A 49 -4.100 -11.499 2.111 1.00 0.00 C ATOM 783 CG LEU A 49 -4.302 -10.399 3.154 1.00 0.00 C ATOM 784 CD1 LEU A 49 -4.193 -9.025 2.509 1.00 0.00 C ATOM 785 CD2 LEU A 49 -5.647 -10.560 3.846 1.00 0.00 C ATOM 0 H LEU A 49 -1.956 -12.171 3.453 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.652 -13.324 3.105 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.302 -11.190 1.436 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -5.009 -11.578 1.514 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.517 -10.489 3.905 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.339 -8.255 3.266 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.206 -8.911 2.061 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.956 -8.924 1.737 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.773 -9.769 4.585 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.446 -10.498 3.107 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.687 -11.529 4.343 1.00 0.00 H new ATOM 797 N SER A 50 -4.119 -13.891 0.477 1.00 0.00 N ATOM 798 CA SER A 50 -3.796 -14.725 -0.674 1.00 0.00 C ATOM 799 C SER A 50 -3.622 -13.876 -1.929 1.00 0.00 C ATOM 800 O SER A 50 -4.402 -12.959 -2.186 1.00 0.00 O ATOM 801 CB SER A 50 -4.893 -15.768 -0.898 1.00 0.00 C ATOM 802 OG SER A 50 -5.032 -16.613 0.231 1.00 0.00 O ATOM 0 H SER A 50 -5.012 -13.403 0.407 1.00 0.00 H new ATOM 0 HA SER A 50 -2.855 -15.235 -0.469 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.840 -15.267 -1.100 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.656 -16.367 -1.777 1.00 0.00 H new ATOM 0 HG SER A 50 -5.740 -17.269 0.063 1.00 0.00 H new ATOM 808 N LEU A 51 -2.592 -14.188 -2.709 1.00 0.00 N ATOM 809 CA LEU A 51 -2.313 -13.454 -3.938 1.00 0.00 C ATOM 810 C LEU A 51 -3.607 -12.988 -4.599 1.00 0.00 C ATOM 811 O LEU A 51 -3.691 -11.866 -5.101 1.00 0.00 O ATOM 812 CB LEU A 51 -1.519 -14.330 -4.909 1.00 0.00 C ATOM 813 CG LEU A 51 -0.044 -14.544 -4.565 1.00 0.00 C ATOM 814 CD1 LEU A 51 0.096 -15.502 -3.392 1.00 0.00 C ATOM 815 CD2 LEU A 51 0.715 -15.066 -5.776 1.00 0.00 C ATOM 0 H LEU A 51 -1.937 -14.944 -2.512 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.720 -12.576 -3.681 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.003 -15.305 -4.967 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.579 -13.884 -5.902 1.00 0.00 H new ATOM 0 HG LEU A 51 0.386 -13.585 -4.278 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.152 -15.643 -3.161 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.414 -15.089 -2.522 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.350 -16.462 -3.651 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.763 -15.213 -5.513 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.284 -16.016 -6.094 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.642 -14.344 -6.590 1.00 0.00 H new ATOM 827 N LEU A 52 -4.613 -13.855 -4.594 1.00 0.00 N ATOM 828 CA LEU A 52 -5.905 -13.531 -5.191 1.00 0.00 C ATOM 829 C LEU A 52 -6.491 -12.267 -4.569 1.00 0.00 C ATOM 830 O LEU A 52 -6.904 -11.350 -5.278 1.00 0.00 O ATOM 831 CB LEU A 52 -6.877 -14.698 -5.014 1.00 0.00 C ATOM 832 CG LEU A 52 -8.347 -14.399 -5.314 1.00 0.00 C ATOM 833 CD1 LEU A 52 -8.521 -13.987 -6.767 1.00 0.00 C ATOM 834 CD2 LEU A 52 -9.213 -15.608 -4.993 1.00 0.00 C ATOM 0 H LEU A 52 -4.560 -14.787 -4.184 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.751 -13.352 -6.255 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.554 -15.515 -5.660 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.802 -15.055 -3.987 1.00 0.00 H new ATOM 0 HG LEU A 52 -8.666 -13.570 -4.682 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.573 -13.778 -6.963 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.931 -13.092 -6.965 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.185 -14.795 -7.417 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -10.255 -15.377 -5.212 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.894 -16.456 -5.599 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -9.111 -15.858 -3.937 1.00 0.00 H new ATOM 846 N GLN A 53 -6.521 -12.227 -3.241 1.00 0.00 N ATOM 847 CA GLN A 53 -7.055 -11.075 -2.524 1.00 0.00 C ATOM 848 C GLN A 53 -6.104 -9.886 -2.618 1.00 0.00 C ATOM 849 O GLN A 53 -6.530 -8.732 -2.565 1.00 0.00 O ATOM 850 CB GLN A 53 -7.302 -11.430 -1.057 1.00 0.00 C ATOM 851 CG GLN A 53 -8.511 -12.328 -0.844 1.00 0.00 C ATOM 852 CD GLN A 53 -9.132 -12.154 0.528 1.00 0.00 C ATOM 853 OE1 GLN A 53 -10.287 -11.745 0.652 1.00 0.00 O ATOM 854 NE2 GLN A 53 -8.367 -12.464 1.568 1.00 0.00 N ATOM 0 H GLN A 53 -6.182 -12.978 -2.640 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.002 -10.798 -2.988 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.417 -11.925 -0.658 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.437 -10.511 -0.487 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -9.259 -12.112 -1.607 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.214 -13.368 -0.975 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -7.415 -12.799 1.419 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -8.731 -12.367 2.516 1.00 0.00 H new ATOM 863 N ILE A 54 -4.814 -10.176 -2.758 1.00 0.00 N ATOM 864 CA ILE A 54 -3.804 -9.131 -2.861 1.00 0.00 C ATOM 865 C ILE A 54 -4.009 -8.289 -4.115 1.00 0.00 C ATOM 866 O ILE A 54 -4.372 -7.115 -4.035 1.00 0.00 O ATOM 867 CB ILE A 54 -2.382 -9.723 -2.880 1.00 0.00 C ATOM 868 CG1 ILE A 54 -2.120 -10.519 -1.600 1.00 0.00 C ATOM 869 CG2 ILE A 54 -1.350 -8.617 -3.044 1.00 0.00 C ATOM 870 CD1 ILE A 54 -2.265 -9.698 -0.338 1.00 0.00 C ATOM 0 H ILE A 54 -4.445 -11.126 -2.803 1.00 0.00 H new ATOM 0 HA ILE A 54 -3.914 -8.498 -1.980 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.298 -10.400 -3.730 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.811 -11.361 -1.557 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.113 -10.935 -1.640 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.350 -9.051 -3.056 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.528 -8.090 -3.981 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.432 -7.917 -2.213 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.065 -10.326 0.530 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.555 -8.871 -0.358 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.279 -9.304 -0.275 1.00 0.00 H new ATOM 882 N SER A 55 -3.776 -8.897 -5.274 1.00 0.00 N ATOM 883 CA SER A 55 -3.933 -8.202 -6.547 1.00 0.00 C ATOM 884 C SER A 55 -5.324 -7.587 -6.661 1.00 0.00 C ATOM 885 O SER A 55 -5.469 -6.409 -6.984 1.00 0.00 O ATOM 886 CB SER A 55 -3.691 -9.165 -7.711 1.00 0.00 C ATOM 887 OG SER A 55 -3.552 -8.463 -8.933 1.00 0.00 O ATOM 0 H SER A 55 -3.478 -9.869 -5.358 1.00 0.00 H new ATOM 0 HA SER A 55 -3.196 -7.400 -6.589 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.792 -9.752 -7.521 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.521 -9.868 -7.784 1.00 0.00 H new ATOM 0 HG SER A 55 -3.397 -9.101 -9.661 1.00 0.00 H new ATOM 893 N ASN A 56 -6.345 -8.394 -6.394 1.00 0.00 N ATOM 894 CA ASN A 56 -7.726 -7.931 -6.468 1.00 0.00 C ATOM 895 C ASN A 56 -7.900 -6.618 -5.711 1.00 0.00 C ATOM 896 O ASN A 56 -8.496 -5.669 -6.222 1.00 0.00 O ATOM 897 CB ASN A 56 -8.673 -8.990 -5.899 1.00 0.00 C ATOM 898 CG ASN A 56 -9.141 -9.973 -6.954 1.00 0.00 C ATOM 899 OD1 ASN A 56 -9.198 -9.648 -8.140 1.00 0.00 O ATOM 900 ND2 ASN A 56 -9.480 -11.183 -6.525 1.00 0.00 N ATOM 0 H ASN A 56 -6.242 -9.372 -6.124 1.00 0.00 H new ATOM 0 HA ASN A 56 -7.970 -7.761 -7.517 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -8.169 -9.532 -5.099 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -9.539 -8.499 -5.455 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -9.803 -11.887 -7.188 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -9.417 -11.408 -5.532 1.00 0.00 H new ATOM 907 N TRP A 57 -7.375 -6.570 -4.492 1.00 0.00 N ATOM 908 CA TRP A 57 -7.472 -5.373 -3.664 1.00 0.00 C ATOM 909 C TRP A 57 -6.826 -4.178 -4.358 1.00 0.00 C ATOM 910 O TRP A 57 -7.399 -3.090 -4.401 1.00 0.00 O ATOM 911 CB TRP A 57 -6.807 -5.611 -2.308 1.00 0.00 C ATOM 912 CG TRP A 57 -6.605 -4.354 -1.516 1.00 0.00 C ATOM 913 CD1 TRP A 57 -7.505 -3.760 -0.678 1.00 0.00 C ATOM 914 CD2 TRP A 57 -5.430 -3.537 -1.491 1.00 0.00 C ATOM 915 NE1 TRP A 57 -6.961 -2.623 -0.133 1.00 0.00 N ATOM 916 CE2 TRP A 57 -5.688 -2.464 -0.615 1.00 0.00 C ATOM 917 CE3 TRP A 57 -4.185 -3.607 -2.120 1.00 0.00 C ATOM 918 CZ2 TRP A 57 -4.746 -1.472 -0.357 1.00 0.00 C ATOM 919 CZ3 TRP A 57 -3.251 -2.622 -1.863 1.00 0.00 C ATOM 920 CH2 TRP A 57 -3.536 -1.566 -0.987 1.00 0.00 C ATOM 0 H TRP A 57 -6.878 -7.346 -4.055 1.00 0.00 H new ATOM 0 HA TRP A 57 -8.528 -5.153 -3.509 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -7.418 -6.303 -1.728 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -5.842 -6.092 -2.464 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -8.499 -4.130 -0.474 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -7.428 -1.998 0.524 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -3.956 -4.418 -2.796 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -4.963 -0.657 0.317 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -2.286 -2.667 -2.345 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -2.785 -0.811 -0.806 1.00 0.00 H new ATOM 931 N PHE A 58 -5.631 -4.389 -4.900 1.00 0.00 N ATOM 932 CA PHE A 58 -4.908 -3.328 -5.591 1.00 0.00 C ATOM 933 C PHE A 58 -5.780 -2.687 -6.667 1.00 0.00 C ATOM 934 O PHE A 58 -5.649 -1.498 -6.959 1.00 0.00 O ATOM 935 CB PHE A 58 -3.627 -3.881 -6.219 1.00 0.00 C ATOM 936 CG PHE A 58 -2.434 -3.810 -5.310 1.00 0.00 C ATOM 937 CD1 PHE A 58 -1.683 -2.648 -5.219 1.00 0.00 C ATOM 938 CD2 PHE A 58 -2.063 -4.904 -4.544 1.00 0.00 C ATOM 939 CE1 PHE A 58 -0.585 -2.581 -4.383 1.00 0.00 C ATOM 940 CE2 PHE A 58 -0.966 -4.842 -3.706 1.00 0.00 C ATOM 941 CZ PHE A 58 -0.226 -3.678 -3.625 1.00 0.00 C ATOM 0 H PHE A 58 -5.143 -5.284 -4.874 1.00 0.00 H new ATOM 0 HA PHE A 58 -4.645 -2.564 -4.859 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.792 -4.919 -6.508 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.411 -3.327 -7.132 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.959 -1.786 -5.808 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -2.638 -5.816 -4.603 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.007 -1.670 -4.322 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.687 -5.702 -3.115 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.631 -3.626 -2.970 1.00 0.00 H new ATOM 951 N ILE A 59 -6.668 -3.483 -7.252 1.00 0.00 N ATOM 952 CA ILE A 59 -7.561 -2.994 -8.295 1.00 0.00 C ATOM 953 C ILE A 59 -8.438 -1.858 -7.779 1.00 0.00 C ATOM 954 O ILE A 59 -8.241 -0.697 -8.137 1.00 0.00 O ATOM 955 CB ILE A 59 -8.463 -4.119 -8.836 1.00 0.00 C ATOM 956 CG1 ILE A 59 -7.613 -5.248 -9.421 1.00 0.00 C ATOM 957 CG2 ILE A 59 -9.420 -3.571 -9.885 1.00 0.00 C ATOM 958 CD1 ILE A 59 -8.373 -6.543 -9.607 1.00 0.00 C ATOM 0 H ILE A 59 -6.788 -4.469 -7.022 1.00 0.00 H new ATOM 0 HA ILE A 59 -6.930 -2.624 -9.104 1.00 0.00 H new ATOM 0 HB ILE A 59 -9.050 -4.523 -8.011 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -7.213 -4.929 -10.384 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.761 -5.427 -8.765 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -10.051 -4.377 -10.258 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -10.045 -2.798 -9.439 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -8.850 -3.145 -10.710 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.708 -7.298 -10.025 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -8.750 -6.885 -8.643 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -9.209 -6.380 -10.287 1.00 0.00 H new ATOM 970 N ASN A 60 -9.405 -2.201 -6.936 1.00 0.00 N ATOM 971 CA ASN A 60 -10.312 -1.209 -6.369 1.00 0.00 C ATOM 972 C ASN A 60 -9.565 -0.256 -5.441 1.00 0.00 C ATOM 973 O ASN A 60 -10.004 0.870 -5.207 1.00 0.00 O ATOM 974 CB ASN A 60 -11.444 -1.900 -5.604 1.00 0.00 C ATOM 975 CG ASN A 60 -12.005 -3.091 -6.355 1.00 0.00 C ATOM 976 OD1 ASN A 60 -11.383 -4.152 -6.414 1.00 0.00 O ATOM 977 ND2 ASN A 60 -13.188 -2.922 -6.935 1.00 0.00 N ATOM 0 H ASN A 60 -9.581 -3.158 -6.630 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.737 -0.631 -7.190 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -11.075 -2.228 -4.632 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -12.243 -1.183 -5.416 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -13.615 -3.689 -7.454 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -13.669 -2.026 -6.861 1.00 0.00 H new ATOM 984 N ALA A 61 -8.433 -0.715 -4.917 1.00 0.00 N ATOM 985 CA ALA A 61 -7.623 0.098 -4.018 1.00 0.00 C ATOM 986 C ALA A 61 -6.767 1.091 -4.796 1.00 0.00 C ATOM 987 O ALA A 61 -6.417 2.155 -4.286 1.00 0.00 O ATOM 988 CB ALA A 61 -6.746 -0.792 -3.149 1.00 0.00 C ATOM 0 H ALA A 61 -8.056 -1.645 -5.100 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.296 0.666 -3.375 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.146 -0.172 -2.482 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -7.375 -1.457 -2.558 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.087 -1.385 -3.784 1.00 0.00 H new ATOM 994 N ARG A 62 -6.433 0.736 -6.032 1.00 0.00 N ATOM 995 CA ARG A 62 -5.616 1.595 -6.880 1.00 0.00 C ATOM 996 C ARG A 62 -6.456 2.713 -7.491 1.00 0.00 C ATOM 997 O ARG A 62 -5.922 3.664 -8.061 1.00 0.00 O ATOM 998 CB ARG A 62 -4.955 0.775 -7.989 1.00 0.00 C ATOM 999 CG ARG A 62 -4.293 1.623 -9.063 1.00 0.00 C ATOM 1000 CD ARG A 62 -3.715 0.763 -10.175 1.00 0.00 C ATOM 1001 NE ARG A 62 -2.654 1.452 -10.905 1.00 0.00 N ATOM 1002 CZ ARG A 62 -2.879 2.400 -11.807 1.00 0.00 C ATOM 1003 NH1 ARG A 62 -4.121 2.770 -12.090 1.00 0.00 N ATOM 1004 NH2 ARG A 62 -1.861 2.980 -12.429 1.00 0.00 N ATOM 0 H ARG A 62 -6.716 -0.141 -6.469 1.00 0.00 H new ATOM 0 HA ARG A 62 -4.841 2.044 -6.259 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.208 0.117 -7.546 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.706 0.137 -8.454 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.022 2.317 -9.480 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.500 2.223 -8.617 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -3.322 -0.161 -9.751 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.509 0.484 -10.867 1.00 0.00 H new ATOM 0 HE ARG A 62 -1.687 1.191 -10.711 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -4.906 2.326 -11.614 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -4.291 3.499 -12.783 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -0.905 2.698 -12.214 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -2.035 3.708 -13.122 1.00 0.00 H new ATOM 1018 N ARG A 63 -7.774 2.590 -7.370 1.00 0.00 N ATOM 1019 CA ARG A 63 -8.688 3.588 -7.912 1.00 0.00 C ATOM 1020 C ARG A 63 -9.270 4.454 -6.798 1.00 0.00 C ATOM 1021 O ARG A 63 -9.968 5.433 -7.061 1.00 0.00 O ATOM 1022 CB ARG A 63 -9.818 2.908 -8.687 1.00 0.00 C ATOM 1023 CG ARG A 63 -10.672 1.984 -7.834 1.00 0.00 C ATOM 1024 CD ARG A 63 -11.747 1.297 -8.662 1.00 0.00 C ATOM 1025 NE ARG A 63 -11.190 0.264 -9.532 1.00 0.00 N ATOM 1026 CZ ARG A 63 -11.830 -0.232 -10.585 1.00 0.00 C ATOM 1027 NH1 ARG A 63 -13.041 0.207 -10.897 1.00 0.00 N ATOM 1028 NH2 ARG A 63 -11.257 -1.170 -11.329 1.00 0.00 N ATOM 0 H ARG A 63 -8.233 1.809 -6.901 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.125 4.229 -8.591 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -10.456 3.673 -9.129 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -9.390 2.336 -9.510 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -10.038 1.233 -7.363 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -11.139 2.556 -7.032 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -12.487 0.851 -7.997 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -12.268 2.039 -9.267 1.00 0.00 H new ATOM 0 HE ARG A 63 -10.260 -0.096 -9.319 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -13.484 0.928 -10.328 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -13.530 -0.176 -11.706 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -10.325 -1.510 -11.092 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -11.749 -1.551 -12.138 1.00 0.00 H new ATOM 1042 N ARG A 64 -8.978 4.085 -5.555 1.00 0.00 N ATOM 1043 CA ARG A 64 -9.474 4.827 -4.402 1.00 0.00 C ATOM 1044 C ARG A 64 -8.324 5.246 -3.490 1.00 0.00 C ATOM 1045 O ARG A 64 -8.284 6.377 -3.006 1.00 0.00 O ATOM 1046 CB ARG A 64 -10.478 3.980 -3.618 1.00 0.00 C ATOM 1047 CG ARG A 64 -11.280 4.775 -2.600 1.00 0.00 C ATOM 1048 CD ARG A 64 -12.426 3.953 -2.029 1.00 0.00 C ATOM 1049 NE ARG A 64 -12.019 3.191 -0.852 1.00 0.00 N ATOM 1050 CZ ARG A 64 -12.688 2.141 -0.389 1.00 0.00 C ATOM 1051 NH1 ARG A 64 -13.789 1.730 -1.002 1.00 0.00 N ATOM 1052 NH2 ARG A 64 -12.255 1.499 0.689 1.00 0.00 N ATOM 0 H ARG A 64 -8.401 3.277 -5.321 1.00 0.00 H new ATOM 0 HA ARG A 64 -9.972 5.725 -4.766 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -11.165 3.505 -4.318 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -9.944 3.181 -3.104 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -10.625 5.099 -1.791 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -11.675 5.676 -3.070 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -13.251 4.615 -1.765 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -12.798 3.270 -2.793 1.00 0.00 H new ATOM 0 HE ARG A 64 -11.175 3.481 -0.358 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -14.124 2.220 -1.831 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -14.301 0.923 -0.645 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.408 1.812 1.163 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -12.770 0.693 1.044 1.00 0.00 H new ATOM 1066 N ILE A 65 -7.392 4.327 -3.261 1.00 0.00 N ATOM 1067 CA ILE A 65 -6.243 4.601 -2.409 1.00 0.00 C ATOM 1068 C ILE A 65 -5.179 5.395 -3.159 1.00 0.00 C ATOM 1069 O ILE A 65 -4.862 6.528 -2.796 1.00 0.00 O ATOM 1070 CB ILE A 65 -5.615 3.301 -1.874 1.00 0.00 C ATOM 1071 CG1 ILE A 65 -6.702 2.365 -1.341 1.00 0.00 C ATOM 1072 CG2 ILE A 65 -4.597 3.612 -0.787 1.00 0.00 C ATOM 1073 CD1 ILE A 65 -6.178 1.303 -0.400 1.00 0.00 C ATOM 0 H ILE A 65 -7.411 3.386 -3.654 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.608 5.191 -1.568 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.100 2.800 -2.694 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.457 2.956 -0.824 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -7.197 1.881 -2.182 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.162 2.683 -0.419 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.809 4.244 -1.196 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.089 4.132 0.035 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -7.004 0.677 -0.062 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.444 0.687 -0.919 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.708 1.779 0.461 1.00 0.00 H new ATOM 1085 N LEU A 66 -4.631 4.793 -4.209 1.00 0.00 N ATOM 1086 CA LEU A 66 -3.603 5.444 -5.014 1.00 0.00 C ATOM 1087 C LEU A 66 -3.952 6.908 -5.263 1.00 0.00 C ATOM 1088 O LEU A 66 -3.155 7.813 -5.012 1.00 0.00 O ATOM 1089 CB LEU A 66 -3.433 4.715 -6.348 1.00 0.00 C ATOM 1090 CG LEU A 66 -2.707 5.489 -7.449 1.00 0.00 C ATOM 1091 CD1 LEU A 66 -1.244 5.688 -7.085 1.00 0.00 C ATOM 1092 CD2 LEU A 66 -2.833 4.765 -8.781 1.00 0.00 C ATOM 0 H LEU A 66 -4.881 3.855 -4.523 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.664 5.402 -4.462 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.890 3.787 -6.166 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -4.421 4.439 -6.717 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.173 6.470 -7.546 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.743 6.241 -7.880 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.174 6.249 -6.153 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.765 4.717 -6.961 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.311 5.330 -9.553 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.393 3.771 -8.698 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.886 4.674 -9.048 1.00 0.00 H new ATOM 1104 N PRO A 67 -5.171 7.149 -5.766 1.00 0.00 N ATOM 1105 CA PRO A 67 -5.655 8.502 -6.056 1.00 0.00 C ATOM 1106 C PRO A 67 -5.910 9.311 -4.789 1.00 0.00 C ATOM 1107 O PRO A 67 -6.005 10.537 -4.833 1.00 0.00 O ATOM 1108 CB PRO A 67 -6.966 8.256 -6.808 1.00 0.00 C ATOM 1109 CG PRO A 67 -7.422 6.915 -6.345 1.00 0.00 C ATOM 1110 CD PRO A 67 -6.173 6.119 -6.089 1.00 0.00 C ATOM 0 HA PRO A 67 -4.926 9.083 -6.621 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -7.704 9.025 -6.580 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.812 8.271 -7.887 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -8.024 6.998 -5.440 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.045 6.433 -7.099 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -6.306 5.416 -5.267 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -5.882 5.536 -6.963 1.00 0.00 H new ATOM 1118 N ASP A 68 -6.021 8.616 -3.662 1.00 0.00 N ATOM 1119 CA ASP A 68 -6.264 9.271 -2.382 1.00 0.00 C ATOM 1120 C ASP A 68 -4.953 9.708 -1.737 1.00 0.00 C ATOM 1121 O ASP A 68 -4.887 10.750 -1.087 1.00 0.00 O ATOM 1122 CB ASP A 68 -7.022 8.333 -1.441 1.00 0.00 C ATOM 1123 CG ASP A 68 -8.526 8.472 -1.572 1.00 0.00 C ATOM 1124 OD1 ASP A 68 -8.995 8.834 -2.672 1.00 0.00 O ATOM 1125 OD2 ASP A 68 -9.234 8.219 -0.575 1.00 0.00 O ATOM 0 H ASP A 68 -5.947 7.600 -3.609 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.871 10.158 -2.565 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.736 7.303 -1.652 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.729 8.541 -0.412 1.00 0.00 H new ATOM 1130 N MET A 69 -3.912 8.903 -1.922 1.00 0.00 N ATOM 1131 CA MET A 69 -2.602 9.207 -1.358 1.00 0.00 C ATOM 1132 C MET A 69 -1.943 10.361 -2.106 1.00 0.00 C ATOM 1133 O MET A 69 -1.363 11.260 -1.494 1.00 0.00 O ATOM 1134 CB MET A 69 -1.702 7.971 -1.409 1.00 0.00 C ATOM 1135 CG MET A 69 -1.722 7.259 -2.752 1.00 0.00 C ATOM 1136 SD MET A 69 -0.475 5.962 -2.870 1.00 0.00 S ATOM 1137 CE MET A 69 -1.138 4.750 -1.731 1.00 0.00 C ATOM 0 H MET A 69 -3.950 8.036 -2.458 1.00 0.00 H new ATOM 0 HA MET A 69 -2.741 9.503 -0.318 1.00 0.00 H new ATOM 0 HB2 MET A 69 -0.678 8.267 -1.179 1.00 0.00 H new ATOM 0 HB3 MET A 69 -2.013 7.273 -0.632 1.00 0.00 H new ATOM 0 HG2 MET A 69 -2.709 6.825 -2.914 1.00 0.00 H new ATOM 0 HG3 MET A 69 -1.560 7.987 -3.547 1.00 0.00 H new ATOM 0 HE1 MET A 69 -0.367 4.019 -1.488 1.00 0.00 H new ATOM 0 HE2 MET A 69 -1.465 5.249 -0.819 1.00 0.00 H new ATOM 0 HE3 MET A 69 -1.986 4.244 -2.192 1.00 0.00 H new ATOM 1147 N LEU A 70 -2.035 10.332 -3.431 1.00 0.00 N ATOM 1148 CA LEU A 70 -1.447 11.376 -4.262 1.00 0.00 C ATOM 1149 C LEU A 70 -2.094 12.728 -3.977 1.00 0.00 C ATOM 1150 O LEU A 70 -1.407 13.741 -3.853 1.00 0.00 O ATOM 1151 CB LEU A 70 -1.603 11.025 -5.743 1.00 0.00 C ATOM 1152 CG LEU A 70 -0.424 10.294 -6.387 1.00 0.00 C ATOM 1153 CD1 LEU A 70 -0.554 8.792 -6.189 1.00 0.00 C ATOM 1154 CD2 LEU A 70 -0.332 10.632 -7.868 1.00 0.00 C ATOM 0 H LEU A 70 -2.511 9.596 -3.953 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.386 11.444 -4.021 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.494 10.408 -5.858 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.780 11.946 -6.298 1.00 0.00 H new ATOM 0 HG LEU A 70 0.493 10.626 -5.901 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.294 8.289 -6.654 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.570 8.566 -5.123 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.479 8.443 -6.648 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.512 10.103 -8.310 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.252 10.329 -8.368 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.190 11.706 -7.988 1.00 0.00 H new ATOM 1166 N GLN A 71 -3.419 12.733 -3.874 1.00 0.00 N ATOM 1167 CA GLN A 71 -4.158 13.960 -3.602 1.00 0.00 C ATOM 1168 C GLN A 71 -3.938 14.985 -4.710 1.00 0.00 C ATOM 1169 O GLN A 71 -3.818 16.181 -4.446 1.00 0.00 O ATOM 1170 CB GLN A 71 -3.734 14.549 -2.255 1.00 0.00 C ATOM 1171 CG GLN A 71 -4.367 13.853 -1.061 1.00 0.00 C ATOM 1172 CD GLN A 71 -4.365 14.716 0.185 1.00 0.00 C ATOM 1173 OE1 GLN A 71 -3.722 15.765 0.227 1.00 0.00 O ATOM 1174 NE2 GLN A 71 -5.087 14.278 1.210 1.00 0.00 N ATOM 0 H GLN A 71 -4.002 11.902 -3.975 1.00 0.00 H new ATOM 0 HA GLN A 71 -5.219 13.714 -3.565 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.649 14.489 -2.167 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -3.998 15.606 -2.231 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -5.393 13.579 -1.307 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -3.829 12.927 -0.858 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -5.605 13.403 1.132 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -5.124 14.817 2.075 1.00 0.00 H new ATOM 1183 N GLN A 72 -3.887 14.508 -5.949 1.00 0.00 N ATOM 1184 CA GLN A 72 -3.680 15.383 -7.097 1.00 0.00 C ATOM 1185 C GLN A 72 -4.801 16.412 -7.205 1.00 0.00 C ATOM 1186 O GLN A 72 -5.851 16.142 -7.788 1.00 0.00 O ATOM 1187 CB GLN A 72 -3.601 14.561 -8.385 1.00 0.00 C ATOM 1188 CG GLN A 72 -2.245 13.911 -8.608 1.00 0.00 C ATOM 1189 CD GLN A 72 -1.117 14.922 -8.674 1.00 0.00 C ATOM 1190 OE1 GLN A 72 -0.311 15.031 -7.749 1.00 0.00 O ATOM 1191 NE2 GLN A 72 -1.053 15.668 -9.770 1.00 0.00 N ATOM 0 H GLN A 72 -3.986 13.520 -6.184 1.00 0.00 H new ATOM 0 HA GLN A 72 -2.738 15.912 -6.954 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -4.367 13.786 -8.359 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -3.829 15.207 -9.233 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -2.048 13.205 -7.802 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -2.269 13.338 -9.535 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -1.742 15.544 -10.512 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -0.315 16.365 -9.870 1.00 0.00 H new ATOM 1200 N ARG A 73 -4.570 17.593 -6.639 1.00 0.00 N ATOM 1201 CA ARG A 73 -5.561 18.662 -6.671 1.00 0.00 C ATOM 1202 C ARG A 73 -6.973 18.098 -6.544 1.00 0.00 C ATOM 1203 O ARG A 73 -7.897 18.555 -7.217 1.00 0.00 O ATOM 1204 CB ARG A 73 -5.435 19.464 -7.967 1.00 0.00 C ATOM 1205 CG ARG A 73 -5.704 18.646 -9.219 1.00 0.00 C ATOM 1206 CD ARG A 73 -6.097 19.532 -10.390 1.00 0.00 C ATOM 1207 NE ARG A 73 -7.453 20.056 -10.250 1.00 0.00 N ATOM 1208 CZ ARG A 73 -8.150 20.569 -11.258 1.00 0.00 C ATOM 1209 NH1 ARG A 73 -7.621 20.628 -12.472 1.00 0.00 N ATOM 1210 NH2 ARG A 73 -9.379 21.025 -11.052 1.00 0.00 N ATOM 0 H ARG A 73 -3.706 17.833 -6.153 1.00 0.00 H new ATOM 0 HA ARG A 73 -5.375 19.322 -5.824 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -6.131 20.302 -7.935 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -4.432 19.885 -8.027 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -4.814 18.072 -9.478 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -6.500 17.928 -9.022 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.394 20.362 -10.468 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -6.022 18.962 -11.316 1.00 0.00 H new ATOM 0 HE ARG A 73 -7.889 20.027 -9.328 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -6.676 20.279 -12.634 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -8.159 21.022 -13.244 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -9.789 20.982 -10.119 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -9.913 21.419 -11.826 1.00 0.00 H new ATOM 1224 N ARG A 74 -7.132 17.103 -5.677 1.00 0.00 N ATOM 1225 CA ARG A 74 -8.431 16.476 -5.464 1.00 0.00 C ATOM 1226 C ARG A 74 -9.128 17.072 -4.244 1.00 0.00 C ATOM 1227 O ARG A 74 -10.318 17.378 -4.285 1.00 0.00 O ATOM 1228 CB ARG A 74 -8.268 14.966 -5.285 1.00 0.00 C ATOM 1229 CG ARG A 74 -9.507 14.171 -5.665 1.00 0.00 C ATOM 1230 CD ARG A 74 -9.658 14.062 -7.174 1.00 0.00 C ATOM 1231 NE ARG A 74 -11.046 13.840 -7.571 1.00 0.00 N ATOM 1232 CZ ARG A 74 -11.513 14.102 -8.786 1.00 0.00 C ATOM 1233 NH1 ARG A 74 -10.708 14.592 -9.719 1.00 0.00 N ATOM 1234 NH2 ARG A 74 -12.789 13.873 -9.071 1.00 0.00 N ATOM 0 H ARG A 74 -6.378 16.714 -5.111 1.00 0.00 H new ATOM 0 HA ARG A 74 -9.048 16.666 -6.342 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -7.428 14.625 -5.890 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.017 14.757 -4.245 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -9.447 13.173 -5.231 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -10.391 14.649 -5.243 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -9.289 14.975 -7.642 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -9.040 13.243 -7.542 1.00 0.00 H new ATOM 0 HE ARG A 74 -11.692 13.463 -6.877 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -9.727 14.769 -9.504 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -11.070 14.792 -10.651 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -13.411 13.496 -8.356 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -13.147 14.074 -10.005 1.00 0.00 H new ATOM 1248 N ASN A 75 -8.377 17.231 -3.159 1.00 0.00 N ATOM 1249 CA ASN A 75 -8.923 17.789 -1.927 1.00 0.00 C ATOM 1250 C ASN A 75 -9.748 19.040 -2.215 1.00 0.00 C ATOM 1251 O ASN A 75 -9.200 20.117 -2.449 1.00 0.00 O ATOM 1252 CB ASN A 75 -7.794 18.123 -0.950 1.00 0.00 C ATOM 1253 CG ASN A 75 -6.695 17.078 -0.956 1.00 0.00 C ATOM 1254 OD1 ASN A 75 -7.071 15.823 -0.737 1.00 0.00 O flip ATOM 1255 ND2 ASN A 75 -5.523 17.395 -1.156 1.00 0.00 N flip ATOM 0 H ASN A 75 -7.389 16.982 -3.108 1.00 0.00 H new ATOM 0 HA ASN A 75 -9.575 17.041 -1.476 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -7.370 19.094 -1.207 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.203 18.211 0.057 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -5.280 18.372 -1.320 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -4.795 16.681 -1.158 1.00 0.00 H new ATOM 1262 N ASP A 76 -11.068 18.888 -2.195 1.00 0.00 N ATOM 1263 CA ASP A 76 -11.969 20.005 -2.452 1.00 0.00 C ATOM 1264 C ASP A 76 -12.823 20.307 -1.224 1.00 0.00 C ATOM 1265 O ASP A 76 -13.232 19.411 -0.486 1.00 0.00 O ATOM 1266 CB ASP A 76 -12.868 19.698 -3.650 1.00 0.00 C ATOM 1267 CG ASP A 76 -12.216 20.058 -4.971 1.00 0.00 C ATOM 1268 OD1 ASP A 76 -10.978 19.924 -5.077 1.00 0.00 O ATOM 1269 OD2 ASP A 76 -12.942 20.472 -5.897 1.00 0.00 O ATOM 0 H ASP A 76 -11.537 18.003 -2.004 1.00 0.00 H new ATOM 0 HA ASP A 76 -11.364 20.883 -2.678 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -13.119 18.637 -3.649 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -13.804 20.247 -3.548 1.00 0.00 H new ATOM 1274 N PRO A 77 -13.099 21.601 -0.999 1.00 0.00 N ATOM 1275 CA PRO A 77 -13.906 22.051 0.139 1.00 0.00 C ATOM 1276 C PRO A 77 -15.374 21.662 -0.001 1.00 0.00 C ATOM 1277 O PRO A 77 -16.074 22.153 -0.886 1.00 0.00 O ATOM 1278 CB PRO A 77 -13.751 23.574 0.103 1.00 0.00 C ATOM 1279 CG PRO A 77 -13.439 23.889 -1.319 1.00 0.00 C ATOM 1280 CD PRO A 77 -12.644 22.722 -1.837 1.00 0.00 C ATOM 0 HA PRO A 77 -13.580 21.597 1.075 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -14.664 24.073 0.428 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -12.953 23.907 0.767 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -14.352 24.027 -1.898 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -12.869 24.815 -1.398 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -12.840 22.539 -2.894 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -11.572 22.890 -1.736 1.00 0.00 H new ATOM 1288 N SER A 78 -15.833 20.777 0.878 1.00 0.00 N ATOM 1289 CA SER A 78 -17.217 20.319 0.850 1.00 0.00 C ATOM 1290 C SER A 78 -18.076 21.127 1.818 1.00 0.00 C ATOM 1291 O SER A 78 -17.600 21.581 2.857 1.00 0.00 O ATOM 1292 CB SER A 78 -17.292 18.832 1.202 1.00 0.00 C ATOM 1293 OG SER A 78 -18.632 18.428 1.425 1.00 0.00 O ATOM 0 H SER A 78 -15.267 20.363 1.618 1.00 0.00 H new ATOM 0 HA SER A 78 -17.602 20.465 -0.159 1.00 0.00 H new ATOM 0 HB2 SER A 78 -16.860 18.241 0.394 1.00 0.00 H new ATOM 0 HB3 SER A 78 -16.696 18.636 2.093 1.00 0.00 H new ATOM 0 HG SER A 78 -18.653 17.474 1.647 1.00 0.00 H new ATOM 1299 N GLY A 79 -19.347 21.301 1.467 1.00 0.00 N ATOM 1300 CA GLY A 79 -20.253 22.054 2.314 1.00 0.00 C ATOM 1301 C GLY A 79 -20.766 21.238 3.485 1.00 0.00 C ATOM 1302 O GLY A 79 -21.110 20.065 3.347 1.00 0.00 O ATOM 0 H GLY A 79 -19.765 20.934 0.612 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -19.742 22.941 2.689 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -21.098 22.401 1.719 1.00 0.00 H new ATOM 1306 N PRO A 80 -20.819 21.865 4.669 1.00 0.00 N ATOM 1307 CA PRO A 80 -21.290 21.207 5.892 1.00 0.00 C ATOM 1308 C PRO A 80 -22.790 20.931 5.860 1.00 0.00 C ATOM 1309 O PRO A 80 -23.576 21.770 5.423 1.00 0.00 O ATOM 1310 CB PRO A 80 -20.957 22.220 6.990 1.00 0.00 C ATOM 1311 CG PRO A 80 -20.930 23.537 6.296 1.00 0.00 C ATOM 1312 CD PRO A 80 -20.424 23.263 4.907 1.00 0.00 C ATOM 0 HA PRO A 80 -20.824 20.232 6.036 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -21.706 22.205 7.782 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -19.997 21.998 7.455 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -21.924 23.984 6.268 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -20.279 24.239 6.817 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -20.871 23.937 4.176 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -19.344 23.392 4.840 1.00 0.00 H new ATOM 1320 N SER A 81 -23.179 19.748 6.327 1.00 0.00 N ATOM 1321 CA SER A 81 -24.584 19.360 6.348 1.00 0.00 C ATOM 1322 C SER A 81 -25.001 18.907 7.744 1.00 0.00 C ATOM 1323 O SER A 81 -24.174 18.451 8.534 1.00 0.00 O ATOM 1324 CB SER A 81 -24.841 18.240 5.338 1.00 0.00 C ATOM 1325 OG SER A 81 -24.831 18.737 4.011 1.00 0.00 O ATOM 0 H SER A 81 -22.541 19.043 6.695 1.00 0.00 H new ATOM 0 HA SER A 81 -25.180 20.230 6.074 1.00 0.00 H new ATOM 0 HB2 SER A 81 -24.080 17.467 5.446 1.00 0.00 H new ATOM 0 HB3 SER A 81 -25.803 17.771 5.547 1.00 0.00 H new ATOM 0 HG SER A 81 -24.996 18.001 3.385 1.00 0.00 H new ATOM 1331 N SER A 82 -26.290 19.036 8.041 1.00 0.00 N ATOM 1332 CA SER A 82 -26.818 18.645 9.343 1.00 0.00 C ATOM 1333 C SER A 82 -28.317 18.374 9.262 1.00 0.00 C ATOM 1334 O SER A 82 -29.002 18.870 8.368 1.00 0.00 O ATOM 1335 CB SER A 82 -26.540 19.736 10.379 1.00 0.00 C ATOM 1336 OG SER A 82 -27.030 20.991 9.941 1.00 0.00 O ATOM 0 H SER A 82 -26.988 19.408 7.397 1.00 0.00 H new ATOM 0 HA SER A 82 -26.317 17.727 9.650 1.00 0.00 H new ATOM 0 HB2 SER A 82 -27.008 19.470 11.327 1.00 0.00 H new ATOM 0 HB3 SER A 82 -25.468 19.804 10.561 1.00 0.00 H new ATOM 0 HG SER A 82 -26.842 21.671 10.621 1.00 0.00 H new ATOM 1342 N GLY A 83 -28.821 17.582 10.203 1.00 0.00 N ATOM 1343 CA GLY A 83 -30.235 17.257 10.222 1.00 0.00 C ATOM 1344 C GLY A 83 -30.529 15.908 9.597 1.00 0.00 C ATOM 1345 O GLY A 83 -30.826 14.943 10.300 1.00 0.00 O ATOM 0 H GLY A 83 -28.275 17.159 10.953 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -30.592 17.262 11.252 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -30.789 18.029 9.689 1.00 0.00 H new TER 1349 GLY A 83