USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 408 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 6 SER OG : rot 128:sc= 0 USER MOD Set 1.2: A 48 MET CE :methyl 167:sc= -3.14! (180deg=-4.29!) USER MOD Set 2.1: A 32 TYR OH : rot 39:sc= -0.971! USER MOD Set 2.2: A 65 HIS : no HD1:sc= -3.64! C(o=-4.6!,f=-7.5!) USER MOD Set 3.1: A 20 TYR OH : rot 172:sc= 0.267 USER MOD Set 3.2: A 62 ASN : amide:sc= 0.248 X(o=0.51,f=0.22) USER MOD Set 4.1: A 9 THR OG1 : rot -101:sc= 0.528 USER MOD Set 4.2: A 11 ASN : amide:sc= -4.69! C(o=-4.2!,f=-16!) USER MOD Single : A 3 THR OG1 : rot 36:sc= 0.0829 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 90:sc= -0.604! USER MOD Single : A 25 GLN : amide:sc= -0.253 X(o=-0.25,f=-0.26) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -3.86! C(o=-3.9!,f=-10!) USER MOD Single : A 51 LYS NZ :NH3+ -162:sc= -0.0335 (180deg=-0.46) USER MOD Single : A 54 GLN : amide:sc= -5.02! C(o=-5!,f=-4.7!) USER MOD Single : A 56 LYS NZ :NH3+ 162:sc= -0.0431 (180deg=-0.442) USER MOD Single : A 64 SER OG : rot -43:sc= 0.864 USER MOD ----------------------------------------------------------------- ATOM 30 N THR A 3 3.913 -5.893 -4.530 1.00 0.00 N ATOM 31 CA THR A 3 3.987 -6.281 -5.932 1.00 0.00 C ATOM 32 C THR A 3 3.644 -7.752 -6.095 1.00 0.00 C ATOM 33 O THR A 3 4.216 -8.609 -5.425 1.00 0.00 O ATOM 34 CB THR A 3 5.396 -6.019 -6.469 1.00 0.00 C ATOM 35 OG1 THR A 3 5.689 -4.634 -6.378 1.00 0.00 O ATOM 36 CG2 THR A 3 5.484 -6.474 -7.926 1.00 0.00 C ATOM 0 HA THR A 3 3.267 -5.688 -6.496 1.00 0.00 H new ATOM 0 HB THR A 3 6.120 -6.578 -5.876 1.00 0.00 H new ATOM 0 HG1 THR A 3 5.290 -4.268 -5.561 1.00 0.00 H new ATOM 0 HG21 THR A 3 6.488 -6.286 -8.306 1.00 0.00 H new ATOM 0 HG22 THR A 3 5.266 -7.540 -7.988 1.00 0.00 H new ATOM 0 HG23 THR A 3 4.760 -5.920 -8.524 1.00 0.00 H new ATOM 44 N PHE A 4 2.704 -8.037 -6.989 1.00 0.00 N ATOM 45 CA PHE A 4 2.286 -9.409 -7.230 1.00 0.00 C ATOM 46 C PHE A 4 2.998 -9.970 -8.460 1.00 0.00 C ATOM 47 O PHE A 4 3.085 -9.308 -9.494 1.00 0.00 O ATOM 48 CB PHE A 4 0.772 -9.444 -7.437 1.00 0.00 C ATOM 49 CG PHE A 4 0.074 -9.094 -6.142 1.00 0.00 C ATOM 50 CD1 PHE A 4 -0.356 -10.109 -5.276 1.00 0.00 C ATOM 51 CD2 PHE A 4 -0.139 -7.752 -5.804 1.00 0.00 C ATOM 52 CE1 PHE A 4 -0.998 -9.780 -4.077 1.00 0.00 C ATOM 53 CE2 PHE A 4 -0.782 -7.425 -4.603 1.00 0.00 C ATOM 54 CZ PHE A 4 -1.212 -8.439 -3.741 1.00 0.00 C ATOM 0 H PHE A 4 2.221 -7.339 -7.555 1.00 0.00 H new ATOM 0 HA PHE A 4 2.549 -10.024 -6.369 1.00 0.00 H new ATOM 0 HB2 PHE A 4 0.485 -8.740 -8.218 1.00 0.00 H new ATOM 0 HB3 PHE A 4 0.464 -10.434 -7.772 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -0.192 -11.145 -5.534 1.00 0.00 H new ATOM 0 HD2 PHE A 4 0.193 -6.969 -6.469 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -1.329 -10.562 -3.410 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -0.946 -6.390 -4.343 1.00 0.00 H new ATOM 0 HZ PHE A 4 -1.709 -8.187 -2.816 1.00 0.00 H new ATOM 64 N THR A 5 3.515 -11.189 -8.334 1.00 0.00 N ATOM 65 CA THR A 5 4.232 -11.824 -9.436 1.00 0.00 C ATOM 66 C THR A 5 3.626 -13.186 -9.772 1.00 0.00 C ATOM 67 O THR A 5 3.339 -13.986 -8.882 1.00 0.00 O ATOM 68 CB THR A 5 5.707 -12.001 -9.065 1.00 0.00 C ATOM 69 OG1 THR A 5 6.282 -10.731 -8.799 1.00 0.00 O ATOM 70 CG2 THR A 5 6.450 -12.669 -10.224 1.00 0.00 C ATOM 0 H THR A 5 3.452 -11.753 -7.487 1.00 0.00 H new ATOM 0 HA THR A 5 4.147 -11.180 -10.311 1.00 0.00 H new ATOM 0 HB THR A 5 5.786 -12.628 -8.177 1.00 0.00 H new ATOM 0 HG1 THR A 5 7.226 -10.843 -8.560 1.00 0.00 H new ATOM 0 HG21 THR A 5 7.500 -12.795 -9.959 1.00 0.00 H new ATOM 0 HG22 THR A 5 6.008 -13.644 -10.426 1.00 0.00 H new ATOM 0 HG23 THR A 5 6.373 -12.044 -11.114 1.00 0.00 H new ATOM 78 N SER A 6 3.438 -13.443 -11.065 1.00 0.00 N ATOM 79 CA SER A 6 2.872 -14.714 -11.506 1.00 0.00 C ATOM 80 C SER A 6 3.545 -15.183 -12.794 1.00 0.00 C ATOM 81 O SER A 6 4.123 -14.383 -13.530 1.00 0.00 O ATOM 82 CB SER A 6 1.369 -14.557 -11.744 1.00 0.00 C ATOM 83 OG SER A 6 1.155 -13.649 -12.817 1.00 0.00 O ATOM 0 H SER A 6 3.667 -12.795 -11.818 1.00 0.00 H new ATOM 0 HA SER A 6 3.044 -15.458 -10.728 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.923 -15.524 -11.977 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.882 -14.191 -10.840 1.00 0.00 H new ATOM 0 HG SER A 6 0.562 -14.060 -13.480 1.00 0.00 H new ATOM 89 N ILE A 7 3.466 -16.484 -13.060 1.00 0.00 N ATOM 90 CA ILE A 7 4.068 -17.061 -14.257 1.00 0.00 C ATOM 91 C ILE A 7 3.270 -18.290 -14.687 1.00 0.00 C ATOM 92 O ILE A 7 2.547 -18.874 -13.881 1.00 0.00 O ATOM 93 CB ILE A 7 5.517 -17.459 -13.976 1.00 0.00 C ATOM 94 CG1 ILE A 7 6.219 -17.791 -15.294 1.00 0.00 C ATOM 95 CG2 ILE A 7 5.541 -18.687 -13.063 1.00 0.00 C ATOM 96 CD1 ILE A 7 6.276 -16.540 -16.170 1.00 0.00 C ATOM 0 H ILE A 7 2.990 -17.159 -12.461 1.00 0.00 H new ATOM 0 HA ILE A 7 4.054 -16.320 -15.057 1.00 0.00 H new ATOM 0 HB ILE A 7 6.032 -16.632 -13.487 1.00 0.00 H new ATOM 0 HG12 ILE A 7 7.227 -18.158 -15.099 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.685 -18.587 -15.813 1.00 0.00 H new ATOM 0 HG21 ILE A 7 6.574 -18.971 -12.862 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.040 -18.452 -12.124 1.00 0.00 H new ATOM 0 HG23 ILE A 7 5.026 -19.514 -13.552 1.00 0.00 H new ATOM 0 HD11 ILE A 7 6.776 -16.776 -17.109 1.00 0.00 H new ATOM 0 HD12 ILE A 7 5.263 -16.193 -16.375 1.00 0.00 H new ATOM 0 HD13 ILE A 7 6.829 -15.757 -15.651 1.00 0.00 H new ATOM 108 N VAL A 8 3.388 -18.681 -15.954 1.00 0.00 N ATOM 109 CA VAL A 8 2.646 -19.840 -16.434 1.00 0.00 C ATOM 110 C VAL A 8 3.508 -21.102 -16.417 1.00 0.00 C ATOM 111 O VAL A 8 4.363 -21.303 -17.279 1.00 0.00 O ATOM 112 CB VAL A 8 2.148 -19.584 -17.858 1.00 0.00 C ATOM 113 CG1 VAL A 8 1.379 -20.809 -18.359 1.00 0.00 C ATOM 114 CG2 VAL A 8 1.222 -18.366 -17.862 1.00 0.00 C ATOM 0 H VAL A 8 3.976 -18.224 -16.651 1.00 0.00 H new ATOM 0 HA VAL A 8 1.799 -19.995 -15.765 1.00 0.00 H new ATOM 0 HB VAL A 8 3.000 -19.397 -18.512 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.024 -20.626 -19.373 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.037 -21.678 -18.356 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.527 -20.996 -17.705 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.867 -18.183 -18.876 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.371 -18.554 -17.208 1.00 0.00 H new ATOM 0 HG23 VAL A 8 1.768 -17.493 -17.505 1.00 0.00 H new ATOM 124 N THR A 9 3.237 -21.958 -15.438 1.00 0.00 N ATOM 125 CA THR A 9 3.937 -23.232 -15.291 1.00 0.00 C ATOM 126 C THR A 9 3.015 -24.198 -14.570 1.00 0.00 C ATOM 127 O THR A 9 2.128 -23.758 -13.838 1.00 0.00 O ATOM 128 CB THR A 9 5.211 -23.058 -14.463 1.00 0.00 C ATOM 129 OG1 THR A 9 6.061 -24.179 -14.669 1.00 0.00 O ATOM 130 CG2 THR A 9 4.838 -22.979 -12.981 1.00 0.00 C ATOM 0 H THR A 9 2.528 -21.790 -14.724 1.00 0.00 H new ATOM 0 HA THR A 9 4.210 -23.608 -16.277 1.00 0.00 H new ATOM 0 HB THR A 9 5.725 -22.146 -14.766 1.00 0.00 H new ATOM 0 HG1 THR A 9 5.984 -24.792 -13.908 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.742 -22.855 -12.384 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.176 -22.129 -12.817 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.331 -23.897 -12.684 1.00 0.00 H new ATOM 138 N THR A 10 3.210 -25.502 -14.723 1.00 0.00 N ATOM 139 CA THR A 10 2.341 -26.411 -13.996 1.00 0.00 C ATOM 140 C THR A 10 3.136 -27.417 -13.177 1.00 0.00 C ATOM 141 O THR A 10 3.517 -28.480 -13.669 1.00 0.00 O ATOM 142 CB THR A 10 1.450 -27.163 -14.980 1.00 0.00 C ATOM 143 OG1 THR A 10 1.078 -28.414 -14.420 1.00 0.00 O ATOM 144 CG2 THR A 10 2.212 -27.388 -16.288 1.00 0.00 C ATOM 0 H THR A 10 3.922 -25.935 -15.311 1.00 0.00 H new ATOM 0 HA THR A 10 1.736 -25.816 -13.312 1.00 0.00 H new ATOM 0 HB THR A 10 0.553 -26.578 -15.182 1.00 0.00 H new ATOM 0 HG1 THR A 10 0.246 -28.311 -13.913 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.576 -27.925 -16.992 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.494 -26.426 -16.715 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.110 -27.974 -16.090 1.00 0.00 H new ATOM 152 N ASN A 11 3.385 -27.061 -11.923 1.00 0.00 N ATOM 153 CA ASN A 11 4.140 -27.918 -11.021 1.00 0.00 C ATOM 154 C ASN A 11 3.780 -27.618 -9.578 1.00 0.00 C ATOM 155 O ASN A 11 4.646 -27.310 -8.758 1.00 0.00 O ATOM 156 CB ASN A 11 5.636 -27.702 -11.236 1.00 0.00 C ATOM 157 CG ASN A 11 5.922 -26.211 -11.359 1.00 0.00 C ATOM 158 OD1 ASN A 11 5.306 -25.525 -12.174 1.00 0.00 O ATOM 159 ND2 ASN A 11 6.817 -25.661 -10.586 1.00 0.00 N ATOM 0 H ASN A 11 3.074 -26.183 -11.508 1.00 0.00 H new ATOM 0 HA ASN A 11 3.889 -28.957 -11.234 1.00 0.00 H new ATOM 0 HB2 ASN A 11 6.198 -28.123 -10.403 1.00 0.00 H new ATOM 0 HB3 ASN A 11 5.963 -28.221 -12.137 1.00 0.00 H new ATOM 0 HD21 ASN A 11 7.007 -24.661 -10.657 1.00 0.00 H new ATOM 0 HD22 ASN A 11 7.327 -26.231 -9.911 1.00 0.00 H new ATOM 246 N GLU A 18 3.042 -21.385 -2.014 1.00 0.00 N ATOM 247 CA GLU A 18 2.667 -21.219 -3.412 1.00 0.00 C ATOM 248 C GLU A 18 1.213 -21.615 -3.643 1.00 0.00 C ATOM 249 O GLU A 18 0.738 -22.618 -3.112 1.00 0.00 O ATOM 250 CB GLU A 18 3.573 -22.066 -4.304 1.00 0.00 C ATOM 251 CG GLU A 18 4.981 -21.468 -4.318 1.00 0.00 C ATOM 252 CD GLU A 18 5.933 -22.397 -5.063 1.00 0.00 C ATOM 253 OE1 GLU A 18 5.548 -23.526 -5.321 1.00 0.00 O ATOM 254 OE2 GLU A 18 7.034 -21.966 -5.364 1.00 0.00 O ATOM 0 HA GLU A 18 2.784 -20.166 -3.666 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.606 -23.092 -3.937 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.172 -22.103 -5.317 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.965 -20.489 -4.798 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.331 -21.317 -3.297 1.00 0.00 H new ATOM 261 N PHE A 19 0.516 -20.819 -4.444 1.00 0.00 N ATOM 262 CA PHE A 19 -0.883 -21.088 -4.750 1.00 0.00 C ATOM 263 C PHE A 19 -1.098 -21.124 -6.260 1.00 0.00 C ATOM 264 O PHE A 19 -0.642 -20.236 -6.981 1.00 0.00 O ATOM 265 CB PHE A 19 -1.767 -20.005 -4.137 1.00 0.00 C ATOM 266 CG PHE A 19 -3.203 -20.248 -4.538 1.00 0.00 C ATOM 267 CD1 PHE A 19 -3.963 -21.212 -3.866 1.00 0.00 C ATOM 268 CD2 PHE A 19 -3.771 -19.513 -5.585 1.00 0.00 C ATOM 269 CE1 PHE A 19 -5.292 -21.440 -4.241 1.00 0.00 C ATOM 270 CE2 PHE A 19 -5.099 -19.740 -5.959 1.00 0.00 C ATOM 271 CZ PHE A 19 -5.861 -20.704 -5.288 1.00 0.00 C ATOM 0 H PHE A 19 0.895 -19.985 -4.892 1.00 0.00 H new ATOM 0 HA PHE A 19 -1.150 -22.057 -4.329 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.674 -20.015 -3.051 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -1.444 -19.021 -4.476 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.524 -21.780 -3.059 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.183 -18.770 -6.104 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.879 -22.184 -3.723 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.537 -19.171 -6.766 1.00 0.00 H new ATOM 0 HZ PHE A 19 -6.887 -20.880 -5.577 1.00 0.00 H new ATOM 281 N TYR A 20 -1.791 -22.152 -6.733 1.00 0.00 N ATOM 282 CA TYR A 20 -2.054 -22.283 -8.162 1.00 0.00 C ATOM 283 C TYR A 20 -3.549 -22.407 -8.431 1.00 0.00 C ATOM 284 O TYR A 20 -4.275 -23.053 -7.676 1.00 0.00 O ATOM 285 CB TYR A 20 -1.335 -23.516 -8.711 1.00 0.00 C ATOM 286 CG TYR A 20 0.156 -23.354 -8.533 1.00 0.00 C ATOM 287 CD1 TYR A 20 0.913 -22.706 -9.517 1.00 0.00 C ATOM 288 CD2 TYR A 20 0.783 -23.852 -7.384 1.00 0.00 C ATOM 289 CE1 TYR A 20 2.294 -22.555 -9.352 1.00 0.00 C ATOM 290 CE2 TYR A 20 2.164 -23.703 -7.219 1.00 0.00 C ATOM 291 CZ TYR A 20 2.921 -23.054 -8.203 1.00 0.00 C ATOM 292 OH TYR A 20 4.283 -22.906 -8.040 1.00 0.00 O ATOM 0 H TYR A 20 -2.178 -22.900 -6.157 1.00 0.00 H new ATOM 0 HA TYR A 20 -1.683 -21.387 -8.660 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -1.678 -24.411 -8.192 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -1.573 -23.649 -9.766 1.00 0.00 H new ATOM 0 HD1 TYR A 20 0.430 -22.323 -10.404 1.00 0.00 H new ATOM 0 HD2 TYR A 20 0.200 -24.352 -6.625 1.00 0.00 H new ATOM 0 HE1 TYR A 20 2.877 -22.054 -10.111 1.00 0.00 H new ATOM 0 HE2 TYR A 20 2.647 -24.088 -6.333 1.00 0.00 H new ATOM 0 HH TYR A 20 4.537 -23.186 -7.136 1.00 0.00 H new ATOM 302 N VAL A 21 -4.005 -21.776 -9.510 1.00 0.00 N ATOM 303 CA VAL A 21 -5.417 -21.816 -9.869 1.00 0.00 C ATOM 304 C VAL A 21 -5.666 -22.824 -10.986 1.00 0.00 C ATOM 305 O VAL A 21 -5.098 -22.713 -12.073 1.00 0.00 O ATOM 306 CB VAL A 21 -5.878 -20.433 -10.340 1.00 0.00 C ATOM 307 CG1 VAL A 21 -7.343 -20.506 -10.774 1.00 0.00 C ATOM 308 CG2 VAL A 21 -5.743 -19.423 -9.199 1.00 0.00 C ATOM 0 H VAL A 21 -3.420 -21.234 -10.147 1.00 0.00 H new ATOM 0 HA VAL A 21 -5.979 -22.116 -8.985 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.258 -20.117 -11.179 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.673 -19.523 -11.109 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.445 -21.221 -11.590 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.956 -20.826 -9.932 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.072 -18.442 -9.541 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.359 -19.740 -8.358 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.701 -19.367 -8.884 1.00 0.00 H new ATOM 318 N GLU A 22 -6.530 -23.794 -10.717 1.00 0.00 N ATOM 319 CA GLU A 22 -6.864 -24.804 -11.713 1.00 0.00 C ATOM 320 C GLU A 22 -7.625 -24.165 -12.866 1.00 0.00 C ATOM 321 O GLU A 22 -8.471 -23.297 -12.652 1.00 0.00 O ATOM 322 CB GLU A 22 -7.716 -25.909 -11.083 1.00 0.00 C ATOM 323 CG GLU A 22 -8.127 -26.909 -12.164 1.00 0.00 C ATOM 324 CD GLU A 22 -6.889 -27.551 -12.780 1.00 0.00 C ATOM 325 OE1 GLU A 22 -7.002 -28.077 -13.876 1.00 0.00 O ATOM 326 OE2 GLU A 22 -5.847 -27.510 -12.149 1.00 0.00 O ATOM 0 H GLU A 22 -7.010 -23.903 -9.823 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.939 -25.241 -12.090 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.153 -26.415 -10.298 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.601 -25.479 -10.614 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.769 -27.678 -11.734 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.707 -26.404 -12.936 1.00 0.00 H new ATOM 333 N ALA A 23 -7.320 -24.582 -14.090 1.00 0.00 N ATOM 334 CA ALA A 23 -7.993 -24.014 -15.249 1.00 0.00 C ATOM 335 C ALA A 23 -9.496 -23.983 -15.015 1.00 0.00 C ATOM 336 O ALA A 23 -10.104 -24.996 -14.670 1.00 0.00 O ATOM 337 CB ALA A 23 -7.685 -24.842 -16.498 1.00 0.00 C ATOM 0 H ALA A 23 -6.625 -25.297 -14.302 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.631 -22.997 -15.398 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.194 -24.407 -17.358 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.610 -24.845 -16.676 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.031 -25.865 -16.351 1.00 0.00 H new ATOM 343 N GLY A 24 -10.086 -22.809 -15.199 1.00 0.00 N ATOM 344 CA GLY A 24 -11.520 -22.646 -14.999 1.00 0.00 C ATOM 345 C GLY A 24 -11.854 -22.621 -13.511 1.00 0.00 C ATOM 346 O GLY A 24 -13.019 -22.714 -13.125 1.00 0.00 O ATOM 0 H GLY A 24 -9.597 -21.960 -15.485 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.855 -21.721 -15.468 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -12.056 -23.462 -15.484 1.00 0.00 H new ATOM 350 N GLN A 25 -10.822 -22.502 -12.678 1.00 0.00 N ATOM 351 CA GLN A 25 -11.015 -22.472 -11.232 1.00 0.00 C ATOM 352 C GLN A 25 -10.816 -21.061 -10.693 1.00 0.00 C ATOM 353 O GLN A 25 -9.841 -20.390 -11.027 1.00 0.00 O ATOM 354 CB GLN A 25 -10.025 -23.422 -10.552 1.00 0.00 C ATOM 355 CG GLN A 25 -10.354 -23.517 -9.061 1.00 0.00 C ATOM 356 CD GLN A 25 -11.753 -24.095 -8.873 1.00 0.00 C ATOM 357 OE1 GLN A 25 -12.036 -25.200 -9.338 1.00 0.00 O ATOM 358 NE2 GLN A 25 -12.652 -23.412 -8.218 1.00 0.00 N ATOM 0 H GLN A 25 -9.850 -22.425 -12.978 1.00 0.00 H new ATOM 0 HA GLN A 25 -12.034 -22.792 -11.015 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -10.078 -24.409 -11.011 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -9.006 -23.061 -10.688 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -9.620 -24.147 -8.557 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -10.295 -22.530 -8.603 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.417 -22.497 -7.833 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -13.590 -23.793 -8.091 1.00 0.00 H new ATOM 367 N GLN A 26 -11.750 -20.613 -9.861 1.00 0.00 N ATOM 368 CA GLN A 26 -11.667 -19.276 -9.286 1.00 0.00 C ATOM 369 C GLN A 26 -10.501 -19.185 -8.306 1.00 0.00 C ATOM 370 O GLN A 26 -10.141 -20.169 -7.658 1.00 0.00 O ATOM 371 CB GLN A 26 -12.971 -18.940 -8.564 1.00 0.00 C ATOM 372 CG GLN A 26 -14.109 -18.836 -9.582 1.00 0.00 C ATOM 373 CD GLN A 26 -15.414 -18.497 -8.871 1.00 0.00 C ATOM 374 OE1 GLN A 26 -15.434 -17.656 -7.972 1.00 0.00 O ATOM 375 NE2 GLN A 26 -16.513 -19.108 -9.219 1.00 0.00 N ATOM 0 H GLN A 26 -12.567 -21.151 -9.572 1.00 0.00 H new ATOM 0 HA GLN A 26 -11.503 -18.562 -10.093 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -13.199 -19.709 -7.826 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -12.867 -18.000 -8.022 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -13.878 -18.069 -10.321 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -14.213 -19.777 -10.121 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -16.495 -19.805 -9.964 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -17.390 -18.889 -8.746 1.00 0.00 H new ATOM 384 N PHE A 27 -9.913 -17.997 -8.206 1.00 0.00 N ATOM 385 CA PHE A 27 -8.784 -17.786 -7.305 1.00 0.00 C ATOM 386 C PHE A 27 -9.259 -17.605 -5.873 1.00 0.00 C ATOM 387 O PHE A 27 -9.976 -16.657 -5.559 1.00 0.00 O ATOM 388 CB PHE A 27 -7.997 -16.545 -7.731 1.00 0.00 C ATOM 389 CG PHE A 27 -6.829 -16.338 -6.795 1.00 0.00 C ATOM 390 CD1 PHE A 27 -6.963 -15.498 -5.684 1.00 0.00 C ATOM 391 CD2 PHE A 27 -5.609 -16.976 -7.044 1.00 0.00 C ATOM 392 CE1 PHE A 27 -5.879 -15.297 -4.821 1.00 0.00 C ATOM 393 CE2 PHE A 27 -4.525 -16.777 -6.180 1.00 0.00 C ATOM 394 CZ PHE A 27 -4.659 -15.939 -5.070 1.00 0.00 C ATOM 0 H PHE A 27 -10.196 -17.171 -8.733 1.00 0.00 H new ATOM 0 HA PHE A 27 -8.143 -18.666 -7.357 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.640 -16.662 -8.754 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -8.645 -15.669 -7.718 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.904 -15.004 -5.492 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.503 -17.622 -7.903 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -5.983 -14.648 -3.964 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.584 -17.272 -6.372 1.00 0.00 H new ATOM 0 HZ PHE A 27 -3.822 -15.786 -4.404 1.00 0.00 H new ATOM 404 N ASP A 28 -8.846 -18.521 -5.009 1.00 0.00 N ATOM 405 CA ASP A 28 -9.224 -18.455 -3.609 1.00 0.00 C ATOM 406 C ASP A 28 -8.510 -17.293 -2.932 1.00 0.00 C ATOM 407 O ASP A 28 -7.497 -17.478 -2.259 1.00 0.00 O ATOM 408 CB ASP A 28 -8.862 -19.764 -2.911 1.00 0.00 C ATOM 409 CG ASP A 28 -7.351 -19.969 -2.928 1.00 0.00 C ATOM 410 OD1 ASP A 28 -6.665 -19.134 -3.494 1.00 0.00 O ATOM 411 OD2 ASP A 28 -6.901 -20.957 -2.371 1.00 0.00 O ATOM 0 H ASP A 28 -8.252 -19.314 -5.253 1.00 0.00 H new ATOM 0 HA ASP A 28 -10.301 -18.300 -3.539 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.223 -19.748 -1.883 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.355 -20.599 -3.409 1.00 0.00 H new ATOM 416 N ASP A 29 -9.040 -16.091 -3.126 1.00 0.00 N ATOM 417 CA ASP A 29 -8.439 -14.901 -2.541 1.00 0.00 C ATOM 418 C ASP A 29 -8.411 -14.996 -1.020 1.00 0.00 C ATOM 419 O ASP A 29 -7.454 -14.558 -0.383 1.00 0.00 O ATOM 420 CB ASP A 29 -9.219 -13.655 -2.968 1.00 0.00 C ATOM 421 CG ASP A 29 -10.677 -13.769 -2.531 1.00 0.00 C ATOM 422 OD1 ASP A 29 -11.415 -12.823 -2.753 1.00 0.00 O ATOM 423 OD2 ASP A 29 -11.034 -14.800 -1.987 1.00 0.00 O ATOM 0 H ASP A 29 -9.879 -15.916 -3.680 1.00 0.00 H new ATOM 0 HA ASP A 29 -7.413 -14.826 -2.901 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -8.768 -12.766 -2.527 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -9.165 -13.536 -4.050 1.00 0.00 H new ATOM 428 N SER A 30 -9.456 -15.578 -0.439 1.00 0.00 N ATOM 429 CA SER A 30 -9.512 -15.724 1.010 1.00 0.00 C ATOM 430 C SER A 30 -8.377 -16.620 1.497 1.00 0.00 C ATOM 431 O SER A 30 -7.662 -16.277 2.438 1.00 0.00 O ATOM 432 CB SER A 30 -10.854 -16.327 1.423 1.00 0.00 C ATOM 433 OG SER A 30 -10.888 -16.474 2.836 1.00 0.00 O ATOM 0 H SER A 30 -10.263 -15.950 -0.940 1.00 0.00 H new ATOM 0 HA SER A 30 -9.405 -14.738 1.463 1.00 0.00 H new ATOM 0 HB2 SER A 30 -11.671 -15.685 1.093 1.00 0.00 H new ATOM 0 HB3 SER A 30 -10.994 -17.295 0.942 1.00 0.00 H new ATOM 0 HG SER A 30 -11.748 -16.859 3.104 1.00 0.00 H new ATOM 439 N ALA A 31 -8.217 -17.771 0.849 1.00 0.00 N ATOM 440 CA ALA A 31 -7.166 -18.710 1.220 1.00 0.00 C ATOM 441 C ALA A 31 -5.785 -18.110 0.976 1.00 0.00 C ATOM 442 O ALA A 31 -4.872 -18.276 1.784 1.00 0.00 O ATOM 443 CB ALA A 31 -7.310 -20.001 0.411 1.00 0.00 C ATOM 0 H ALA A 31 -8.799 -18.074 0.068 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.268 -18.929 2.283 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.521 -20.698 0.694 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.282 -20.451 0.614 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.230 -19.775 -0.652 1.00 0.00 H new ATOM 449 N TYR A 32 -5.636 -17.419 -0.152 1.00 0.00 N ATOM 450 CA TYR A 32 -4.358 -16.808 -0.498 1.00 0.00 C ATOM 451 C TYR A 32 -3.942 -15.793 0.557 1.00 0.00 C ATOM 452 O TYR A 32 -2.810 -15.813 1.040 1.00 0.00 O ATOM 453 CB TYR A 32 -4.458 -16.113 -1.857 1.00 0.00 C ATOM 454 CG TYR A 32 -3.122 -15.497 -2.202 1.00 0.00 C ATOM 455 CD1 TYR A 32 -2.864 -14.158 -1.888 1.00 0.00 C ATOM 456 CD2 TYR A 32 -2.143 -16.267 -2.841 1.00 0.00 C ATOM 457 CE1 TYR A 32 -1.628 -13.588 -2.211 1.00 0.00 C ATOM 458 CE2 TYR A 32 -0.905 -15.698 -3.164 1.00 0.00 C ATOM 459 CZ TYR A 32 -0.647 -14.358 -2.849 1.00 0.00 C ATOM 460 OH TYR A 32 0.572 -13.797 -3.169 1.00 0.00 O ATOM 0 H TYR A 32 -6.378 -17.270 -0.836 1.00 0.00 H new ATOM 0 HA TYR A 32 -3.607 -17.597 -0.545 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -4.750 -16.830 -2.624 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -5.230 -15.344 -1.829 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.620 -13.564 -1.396 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -2.343 -17.300 -3.085 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.430 -12.554 -1.968 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -0.149 -16.292 -3.656 1.00 0.00 H new ATOM 0 HH TYR A 32 0.854 -13.195 -2.449 1.00 0.00 H new ATOM 470 N GLU A 33 -4.865 -14.911 0.922 1.00 0.00 N ATOM 471 CA GLU A 33 -4.570 -13.905 1.933 1.00 0.00 C ATOM 472 C GLU A 33 -4.384 -14.572 3.289 1.00 0.00 C ATOM 473 O GLU A 33 -3.645 -14.083 4.138 1.00 0.00 O ATOM 474 CB GLU A 33 -5.704 -12.879 2.008 1.00 0.00 C ATOM 475 CG GLU A 33 -6.975 -13.553 2.524 1.00 0.00 C ATOM 476 CD GLU A 33 -8.120 -12.547 2.566 1.00 0.00 C ATOM 477 OE1 GLU A 33 -7.892 -11.403 2.205 1.00 0.00 O ATOM 478 OE2 GLU A 33 -9.208 -12.933 2.958 1.00 0.00 O ATOM 0 H GLU A 33 -5.810 -14.872 0.540 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.649 -13.391 1.658 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.422 -12.059 2.668 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.883 -12.448 1.023 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -7.240 -14.391 1.879 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -6.802 -13.960 3.520 1.00 0.00 H new ATOM 485 N GLU A 34 -5.079 -15.685 3.489 1.00 0.00 N ATOM 486 CA GLU A 34 -4.991 -16.403 4.757 1.00 0.00 C ATOM 487 C GLU A 34 -3.563 -16.880 5.025 1.00 0.00 C ATOM 488 O GLU A 34 -3.022 -16.651 6.106 1.00 0.00 O ATOM 489 CB GLU A 34 -5.936 -17.606 4.738 1.00 0.00 C ATOM 490 CG GLU A 34 -5.855 -18.340 6.077 1.00 0.00 C ATOM 491 CD GLU A 34 -6.822 -19.519 6.085 1.00 0.00 C ATOM 492 OE1 GLU A 34 -7.494 -19.714 5.086 1.00 0.00 O ATOM 493 OE2 GLU A 34 -6.876 -20.209 7.090 1.00 0.00 O ATOM 0 H GLU A 34 -5.702 -16.107 2.800 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.280 -15.718 5.554 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.958 -17.276 4.554 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.667 -18.280 3.925 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.838 -18.692 6.247 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.096 -17.656 6.891 1.00 0.00 H new ATOM 500 N ALA A 35 -2.952 -17.542 4.041 1.00 0.00 N ATOM 501 CA ALA A 35 -1.583 -18.035 4.208 1.00 0.00 C ATOM 502 C ALA A 35 -0.584 -16.881 4.218 1.00 0.00 C ATOM 503 O ALA A 35 0.314 -16.827 5.058 1.00 0.00 O ATOM 504 CB ALA A 35 -1.237 -19.003 3.075 1.00 0.00 C ATOM 0 H ALA A 35 -3.374 -17.747 3.135 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.522 -18.554 5.165 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.217 -19.366 3.205 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.927 -19.846 3.093 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.319 -18.487 2.118 1.00 0.00 H new ATOM 510 N TYR A 36 -0.747 -15.968 3.265 1.00 0.00 N ATOM 511 CA TYR A 36 0.147 -14.819 3.153 1.00 0.00 C ATOM 512 C TYR A 36 -0.169 -13.783 4.226 1.00 0.00 C ATOM 513 O TYR A 36 0.691 -12.993 4.613 1.00 0.00 O ATOM 514 CB TYR A 36 0.026 -14.188 1.766 1.00 0.00 C ATOM 515 CG TYR A 36 0.671 -15.097 0.744 1.00 0.00 C ATOM 516 CD1 TYR A 36 -0.119 -15.942 -0.045 1.00 0.00 C ATOM 517 CD2 TYR A 36 2.063 -15.097 0.589 1.00 0.00 C ATOM 518 CE1 TYR A 36 0.482 -16.784 -0.988 1.00 0.00 C ATOM 519 CE2 TYR A 36 2.663 -15.938 -0.355 1.00 0.00 C ATOM 520 CZ TYR A 36 1.873 -16.782 -1.143 1.00 0.00 C ATOM 521 OH TYR A 36 2.465 -17.614 -2.072 1.00 0.00 O ATOM 0 H TYR A 36 -1.486 -16.000 2.562 1.00 0.00 H new ATOM 0 HA TYR A 36 1.170 -15.167 3.297 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.023 -14.029 1.517 1.00 0.00 H new ATOM 0 HB3 TYR A 36 0.508 -13.210 1.756 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.192 -15.944 0.074 1.00 0.00 H new ATOM 0 HD2 TYR A 36 2.674 -14.447 1.198 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -0.128 -17.435 -1.596 1.00 0.00 H new ATOM 0 HE2 TYR A 36 3.736 -15.936 -0.475 1.00 0.00 H new ATOM 0 HH TYR A 36 3.437 -17.488 -2.052 1.00 0.00 H new ATOM 531 N GLY A 37 -1.405 -13.798 4.702 1.00 0.00 N ATOM 532 CA GLY A 37 -1.830 -12.861 5.733 1.00 0.00 C ATOM 533 C GLY A 37 -2.122 -11.486 5.142 1.00 0.00 C ATOM 534 O GLY A 37 -2.221 -10.499 5.871 1.00 0.00 O ATOM 0 H GLY A 37 -2.130 -14.446 4.393 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.722 -13.243 6.230 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.053 -12.776 6.493 1.00 0.00 H new ATOM 538 N VAL A 38 -2.261 -11.421 3.820 1.00 0.00 N ATOM 539 CA VAL A 38 -2.544 -10.147 3.167 1.00 0.00 C ATOM 540 C VAL A 38 -3.731 -10.265 2.213 1.00 0.00 C ATOM 541 O VAL A 38 -3.866 -11.245 1.482 1.00 0.00 O ATOM 542 CB VAL A 38 -1.312 -9.679 2.393 1.00 0.00 C ATOM 543 CG1 VAL A 38 -0.154 -9.442 3.365 1.00 0.00 C ATOM 544 CG2 VAL A 38 -0.912 -10.749 1.377 1.00 0.00 C ATOM 0 H VAL A 38 -2.184 -12.220 3.190 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.796 -9.420 3.939 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.544 -8.750 1.872 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.723 -9.108 2.811 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.438 -8.679 4.090 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.078 -10.370 3.888 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.033 -10.416 0.825 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.682 -11.678 1.899 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.735 -10.917 0.682 1.00 0.00 H new ATOM 554 N SER A 39 -4.591 -9.252 2.244 1.00 0.00 N ATOM 555 CA SER A 39 -5.780 -9.230 1.398 1.00 0.00 C ATOM 556 C SER A 39 -5.406 -9.189 -0.080 1.00 0.00 C ATOM 557 O SER A 39 -4.400 -8.592 -0.464 1.00 0.00 O ATOM 558 CB SER A 39 -6.638 -8.011 1.739 1.00 0.00 C ATOM 559 OG SER A 39 -7.089 -8.115 3.083 1.00 0.00 O ATOM 0 H SER A 39 -4.487 -8.435 2.846 1.00 0.00 H new ATOM 0 HA SER A 39 -6.344 -10.144 1.586 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.060 -7.097 1.607 1.00 0.00 H new ATOM 0 HB3 SER A 39 -7.489 -7.950 1.061 1.00 0.00 H new ATOM 0 HG SER A 39 -7.638 -7.334 3.305 1.00 0.00 H new ATOM 565 N VAL A 40 -6.234 -9.824 -0.903 1.00 0.00 N ATOM 566 CA VAL A 40 -6.004 -9.859 -2.344 1.00 0.00 C ATOM 567 C VAL A 40 -6.997 -8.949 -3.062 1.00 0.00 C ATOM 568 O VAL A 40 -8.204 -9.190 -3.031 1.00 0.00 O ATOM 569 CB VAL A 40 -6.164 -11.288 -2.865 1.00 0.00 C ATOM 570 CG1 VAL A 40 -5.916 -11.314 -4.374 1.00 0.00 C ATOM 571 CG2 VAL A 40 -5.155 -12.201 -2.169 1.00 0.00 C ATOM 0 H VAL A 40 -7.070 -10.321 -0.597 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.990 -9.510 -2.540 1.00 0.00 H new ATOM 0 HB VAL A 40 -7.175 -11.637 -2.657 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -6.030 -12.333 -4.744 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -6.635 -10.664 -4.872 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -4.905 -10.963 -4.583 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.269 -13.219 -2.540 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.144 -11.850 -2.376 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.331 -12.185 -1.093 1.00 0.00 H new ATOM 581 N PRO A 41 -6.518 -7.917 -3.699 1.00 0.00 N ATOM 582 CA PRO A 41 -7.385 -6.953 -4.437 1.00 0.00 C ATOM 583 C PRO A 41 -8.027 -7.589 -5.668 1.00 0.00 C ATOM 584 O PRO A 41 -7.469 -8.509 -6.266 1.00 0.00 O ATOM 585 CB PRO A 41 -6.422 -5.831 -4.834 1.00 0.00 C ATOM 586 CG PRO A 41 -5.074 -6.469 -4.865 1.00 0.00 C ATOM 587 CD PRO A 41 -5.095 -7.553 -3.790 1.00 0.00 C ATOM 0 HA PRO A 41 -8.222 -6.604 -3.832 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -6.683 -5.413 -5.806 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -6.454 -5.012 -4.116 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -4.868 -6.897 -5.846 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.291 -5.737 -4.665 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.479 -8.408 -4.069 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.714 -7.183 -2.839 1.00 0.00 H new ATOM 595 N SER A 42 -9.215 -7.109 -6.024 1.00 0.00 N ATOM 596 CA SER A 42 -9.943 -7.653 -7.164 1.00 0.00 C ATOM 597 C SER A 42 -9.142 -7.520 -8.456 1.00 0.00 C ATOM 598 O SER A 42 -9.152 -8.422 -9.293 1.00 0.00 O ATOM 599 CB SER A 42 -11.279 -6.926 -7.319 1.00 0.00 C ATOM 600 OG SER A 42 -12.106 -7.218 -6.199 1.00 0.00 O ATOM 0 H SER A 42 -9.692 -6.347 -5.541 1.00 0.00 H new ATOM 0 HA SER A 42 -10.113 -8.713 -6.976 1.00 0.00 H new ATOM 0 HB2 SER A 42 -11.115 -5.851 -7.394 1.00 0.00 H new ATOM 0 HB3 SER A 42 -11.771 -7.238 -8.240 1.00 0.00 H new ATOM 0 HG SER A 42 -12.963 -6.752 -6.295 1.00 0.00 H new ATOM 606 N ALA A 43 -8.459 -6.396 -8.626 1.00 0.00 N ATOM 607 CA ALA A 43 -7.674 -6.181 -9.835 1.00 0.00 C ATOM 608 C ALA A 43 -6.584 -7.242 -9.971 1.00 0.00 C ATOM 609 O ALA A 43 -6.344 -7.759 -11.062 1.00 0.00 O ATOM 610 CB ALA A 43 -7.034 -4.793 -9.801 1.00 0.00 C ATOM 0 H ALA A 43 -8.432 -5.629 -7.954 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.342 -6.255 -10.693 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.449 -4.640 -10.708 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.814 -4.034 -9.740 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.382 -4.714 -8.931 1.00 0.00 H new ATOM 616 N VAL A 44 -5.927 -7.566 -8.860 1.00 0.00 N ATOM 617 CA VAL A 44 -4.872 -8.575 -8.876 1.00 0.00 C ATOM 618 C VAL A 44 -5.447 -9.979 -9.070 1.00 0.00 C ATOM 619 O VAL A 44 -4.925 -10.774 -9.852 1.00 0.00 O ATOM 620 CB VAL A 44 -4.086 -8.523 -7.566 1.00 0.00 C ATOM 621 CG1 VAL A 44 -3.114 -9.703 -7.504 1.00 0.00 C ATOM 622 CG2 VAL A 44 -3.296 -7.214 -7.499 1.00 0.00 C ATOM 0 H VAL A 44 -6.104 -7.149 -7.946 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.211 -8.357 -9.715 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.779 -8.577 -6.726 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.554 -9.665 -6.569 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.673 -10.638 -7.554 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.422 -9.649 -8.344 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.735 -7.175 -6.565 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.605 -7.163 -8.340 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.985 -6.371 -7.544 1.00 0.00 H new ATOM 632 N VAL A 45 -6.514 -10.279 -8.336 1.00 0.00 N ATOM 633 CA VAL A 45 -7.150 -11.595 -8.406 1.00 0.00 C ATOM 634 C VAL A 45 -7.902 -11.795 -9.717 1.00 0.00 C ATOM 635 O VAL A 45 -7.941 -12.905 -10.250 1.00 0.00 O ATOM 636 CB VAL A 45 -8.126 -11.754 -7.240 1.00 0.00 C ATOM 637 CG1 VAL A 45 -9.332 -10.841 -7.458 1.00 0.00 C ATOM 638 CG2 VAL A 45 -8.597 -13.205 -7.160 1.00 0.00 C ATOM 0 H VAL A 45 -6.958 -9.631 -7.686 1.00 0.00 H new ATOM 0 HA VAL A 45 -6.362 -12.346 -8.350 1.00 0.00 H new ATOM 0 HB VAL A 45 -7.626 -11.483 -6.310 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.029 -10.954 -6.627 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.998 -9.805 -7.514 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -9.830 -11.112 -8.389 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -9.293 -13.316 -6.328 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -9.097 -13.477 -8.090 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.738 -13.858 -7.005 1.00 0.00 H new ATOM 648 N GLU A 46 -8.514 -10.733 -10.234 1.00 0.00 N ATOM 649 CA GLU A 46 -9.267 -10.856 -11.475 1.00 0.00 C ATOM 650 C GLU A 46 -8.350 -11.272 -12.618 1.00 0.00 C ATOM 651 O GLU A 46 -8.703 -12.133 -13.423 1.00 0.00 O ATOM 652 CB GLU A 46 -9.955 -9.532 -11.819 1.00 0.00 C ATOM 653 CG GLU A 46 -8.901 -8.459 -12.088 1.00 0.00 C ATOM 654 CD GLU A 46 -9.580 -7.135 -12.423 1.00 0.00 C ATOM 655 OE1 GLU A 46 -8.870 -6.173 -12.670 1.00 0.00 O ATOM 656 OE2 GLU A 46 -10.800 -7.102 -12.427 1.00 0.00 O ATOM 0 H GLU A 46 -8.504 -9.799 -9.824 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.028 -11.624 -11.335 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.591 -9.658 -12.695 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.601 -9.223 -10.998 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -8.261 -8.338 -11.214 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -8.259 -8.767 -12.913 1.00 0.00 H new ATOM 663 N GLU A 47 -7.174 -10.656 -12.692 1.00 0.00 N ATOM 664 CA GLU A 47 -6.230 -10.978 -13.754 1.00 0.00 C ATOM 665 C GLU A 47 -5.820 -12.444 -13.673 1.00 0.00 C ATOM 666 O GLU A 47 -5.711 -13.123 -14.694 1.00 0.00 O ATOM 667 CB GLU A 47 -4.989 -10.091 -13.638 1.00 0.00 C ATOM 668 CG GLU A 47 -5.352 -8.653 -14.011 1.00 0.00 C ATOM 669 CD GLU A 47 -4.173 -7.728 -13.731 1.00 0.00 C ATOM 670 OE1 GLU A 47 -4.213 -6.595 -14.182 1.00 0.00 O ATOM 671 OE2 GLU A 47 -3.246 -8.166 -13.067 1.00 0.00 O ATOM 0 H GLU A 47 -6.856 -9.941 -12.038 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.714 -10.798 -14.714 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.598 -10.126 -12.621 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.202 -10.461 -14.295 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.624 -8.600 -15.065 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -6.222 -8.329 -13.440 1.00 0.00 H new ATOM 678 N MET A 48 -5.608 -12.934 -12.456 1.00 0.00 N ATOM 679 CA MET A 48 -5.228 -14.328 -12.268 1.00 0.00 C ATOM 680 C MET A 48 -6.355 -15.242 -12.735 1.00 0.00 C ATOM 681 O MET A 48 -6.115 -16.267 -13.373 1.00 0.00 O ATOM 682 CB MET A 48 -4.929 -14.595 -10.791 1.00 0.00 C ATOM 683 CG MET A 48 -3.657 -13.849 -10.383 1.00 0.00 C ATOM 684 SD MET A 48 -2.268 -14.426 -11.392 1.00 0.00 S ATOM 685 CE MET A 48 -2.254 -13.050 -12.567 1.00 0.00 C ATOM 0 H MET A 48 -5.692 -12.394 -11.595 1.00 0.00 H new ATOM 0 HA MET A 48 -4.333 -14.531 -12.857 1.00 0.00 H new ATOM 0 HB2 MET A 48 -5.767 -14.269 -10.175 1.00 0.00 H new ATOM 0 HB3 MET A 48 -4.806 -15.665 -10.622 1.00 0.00 H new ATOM 0 HG2 MET A 48 -3.794 -12.776 -10.514 1.00 0.00 H new ATOM 0 HG3 MET A 48 -3.447 -14.017 -9.327 1.00 0.00 H new ATOM 0 HE1 MET A 48 -1.331 -13.076 -13.147 1.00 0.00 H new ATOM 0 HE2 MET A 48 -3.108 -13.137 -13.239 1.00 0.00 H new ATOM 0 HE3 MET A 48 -2.315 -12.107 -12.024 1.00 0.00 H new ATOM 695 N ASN A 49 -7.587 -14.848 -12.425 1.00 0.00 N ATOM 696 CA ASN A 49 -8.752 -15.624 -12.830 1.00 0.00 C ATOM 697 C ASN A 49 -8.879 -15.637 -14.348 1.00 0.00 C ATOM 698 O ASN A 49 -9.219 -16.658 -14.945 1.00 0.00 O ATOM 699 CB ASN A 49 -10.021 -15.033 -12.213 1.00 0.00 C ATOM 700 CG ASN A 49 -10.073 -15.354 -10.725 1.00 0.00 C ATOM 701 OD1 ASN A 49 -10.400 -16.478 -10.343 1.00 0.00 O ATOM 702 ND2 ASN A 49 -9.770 -14.431 -9.856 1.00 0.00 N ATOM 0 H ASN A 49 -7.802 -14.002 -11.898 1.00 0.00 H new ATOM 0 HA ASN A 49 -8.625 -16.647 -12.476 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -10.039 -13.953 -12.362 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -10.901 -15.438 -12.712 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -9.804 -14.639 -8.858 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -9.499 -13.500 -10.174 1.00 0.00 H new ATOM 709 N ALA A 50 -8.598 -14.494 -14.965 1.00 0.00 N ATOM 710 CA ALA A 50 -8.681 -14.386 -16.414 1.00 0.00 C ATOM 711 C ALA A 50 -7.695 -15.342 -17.071 1.00 0.00 C ATOM 712 O ALA A 50 -8.022 -16.009 -18.051 1.00 0.00 O ATOM 713 CB ALA A 50 -8.373 -12.951 -16.851 1.00 0.00 C ATOM 0 H ALA A 50 -8.314 -13.638 -14.489 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.692 -14.648 -16.725 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.437 -12.880 -17.937 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -9.094 -12.270 -16.399 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.368 -12.680 -16.529 1.00 0.00 H new ATOM 719 N LYS A 51 -6.487 -15.407 -16.522 1.00 0.00 N ATOM 720 CA LYS A 51 -5.457 -16.281 -17.061 1.00 0.00 C ATOM 721 C LYS A 51 -5.912 -17.734 -17.001 1.00 0.00 C ATOM 722 O LYS A 51 -5.685 -18.501 -17.934 1.00 0.00 O ATOM 723 CB LYS A 51 -4.175 -16.108 -16.254 1.00 0.00 C ATOM 724 CG LYS A 51 -3.604 -14.717 -16.527 1.00 0.00 C ATOM 725 CD LYS A 51 -2.357 -14.499 -15.674 1.00 0.00 C ATOM 726 CE LYS A 51 -1.824 -13.090 -15.918 1.00 0.00 C ATOM 727 NZ LYS A 51 -1.367 -12.968 -17.331 1.00 0.00 N ATOM 0 H LYS A 51 -6.200 -14.866 -15.707 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.273 -16.016 -18.102 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.380 -16.230 -15.190 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.450 -16.874 -16.529 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.356 -14.615 -17.584 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.350 -13.956 -16.300 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.595 -14.633 -14.619 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.596 -15.238 -15.925 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.602 -12.355 -15.712 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -0.998 -12.880 -15.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.739 -12.144 -17.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -0.851 -13.829 -17.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.191 -12.846 -17.953 1.00 0.00 H new ATOM 741 N ALA A 52 -6.568 -18.100 -15.906 1.00 0.00 N ATOM 742 CA ALA A 52 -7.064 -19.461 -15.741 1.00 0.00 C ATOM 743 C ALA A 52 -8.046 -19.800 -16.855 1.00 0.00 C ATOM 744 O ALA A 52 -8.101 -20.936 -17.326 1.00 0.00 O ATOM 745 CB ALA A 52 -7.756 -19.604 -14.385 1.00 0.00 C ATOM 0 H ALA A 52 -6.768 -17.477 -15.123 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.220 -20.149 -15.788 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -8.124 -20.624 -14.270 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.045 -19.382 -13.589 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -8.593 -18.908 -14.328 1.00 0.00 H new ATOM 751 N ALA A 53 -8.812 -18.801 -17.276 1.00 0.00 N ATOM 752 CA ALA A 53 -9.790 -18.991 -18.341 1.00 0.00 C ATOM 753 C ALA A 53 -9.101 -19.420 -19.634 1.00 0.00 C ATOM 754 O ALA A 53 -9.615 -20.258 -20.373 1.00 0.00 O ATOM 755 CB ALA A 53 -10.561 -17.692 -18.579 1.00 0.00 C ATOM 0 H ALA A 53 -8.776 -17.854 -16.898 1.00 0.00 H new ATOM 0 HA ALA A 53 -10.483 -19.775 -18.035 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -11.289 -17.842 -19.376 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -11.078 -17.403 -17.664 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -9.866 -16.904 -18.867 1.00 0.00 H new ATOM 761 N GLN A 54 -7.927 -18.848 -19.898 1.00 0.00 N ATOM 762 CA GLN A 54 -7.179 -19.194 -21.102 1.00 0.00 C ATOM 763 C GLN A 54 -6.282 -20.402 -20.851 1.00 0.00 C ATOM 764 O GLN A 54 -5.738 -20.987 -21.789 1.00 0.00 O ATOM 765 CB GLN A 54 -6.326 -18.007 -21.562 1.00 0.00 C ATOM 766 CG GLN A 54 -7.233 -16.915 -22.136 1.00 0.00 C ATOM 767 CD GLN A 54 -7.905 -16.146 -21.008 1.00 0.00 C ATOM 768 OE1 GLN A 54 -7.234 -15.692 -20.084 1.00 0.00 O ATOM 769 NE2 GLN A 54 -9.200 -15.975 -21.026 1.00 0.00 N ATOM 0 H GLN A 54 -7.479 -18.152 -19.302 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.896 -19.443 -21.884 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -5.751 -17.613 -20.724 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.609 -18.332 -22.316 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -6.648 -16.233 -22.753 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.988 -17.362 -22.782 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -9.754 -16.353 -21.795 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.657 -15.463 -20.271 1.00 0.00 H new ATOM 778 N LEU A 55 -6.131 -20.773 -19.583 1.00 0.00 N ATOM 779 CA LEU A 55 -5.294 -21.917 -19.230 1.00 0.00 C ATOM 780 C LEU A 55 -6.027 -23.233 -19.465 1.00 0.00 C ATOM 781 O LEU A 55 -7.210 -23.368 -19.154 1.00 0.00 O ATOM 782 CB LEU A 55 -4.867 -21.828 -17.762 1.00 0.00 C ATOM 783 CG LEU A 55 -3.828 -20.721 -17.597 1.00 0.00 C ATOM 784 CD1 LEU A 55 -3.603 -20.451 -16.109 1.00 0.00 C ATOM 785 CD2 LEU A 55 -2.510 -21.164 -18.236 1.00 0.00 C ATOM 0 H LEU A 55 -6.571 -20.305 -18.791 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.412 -21.892 -19.870 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.733 -21.624 -17.133 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.452 -22.782 -17.435 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.184 -19.812 -18.082 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.861 -19.661 -15.991 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.541 -20.140 -15.650 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.246 -21.360 -15.624 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.766 -20.376 -18.120 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.156 -22.072 -17.748 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.668 -21.360 -19.296 1.00 0.00 H new ATOM 797 N LYS A 56 -5.302 -24.199 -20.019 1.00 0.00 N ATOM 798 CA LYS A 56 -5.872 -25.509 -20.302 1.00 0.00 C ATOM 799 C LYS A 56 -5.414 -26.523 -19.259 1.00 0.00 C ATOM 800 O LYS A 56 -4.617 -26.203 -18.376 1.00 0.00 O ATOM 801 CB LYS A 56 -5.447 -25.977 -21.696 1.00 0.00 C ATOM 802 CG LYS A 56 -3.929 -26.167 -21.730 1.00 0.00 C ATOM 803 CD LYS A 56 -3.503 -26.602 -23.134 1.00 0.00 C ATOM 804 CE LYS A 56 -1.981 -26.736 -23.190 1.00 0.00 C ATOM 805 NZ LYS A 56 -1.542 -27.802 -22.246 1.00 0.00 N ATOM 0 H LYS A 56 -4.321 -24.099 -20.280 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.958 -25.429 -20.266 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -5.947 -26.913 -21.945 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.749 -25.245 -22.445 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -3.429 -25.238 -21.458 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -3.629 -26.917 -20.998 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -3.971 -27.553 -23.389 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.841 -25.873 -23.870 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -1.664 -26.980 -24.204 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -1.512 -25.788 -22.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.579 -28.108 -22.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -1.551 -27.431 -21.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -2.190 -28.613 -22.312 1.00 0.00 H new ATOM 819 N ASP A 57 -5.923 -27.745 -19.365 1.00 0.00 N ATOM 820 CA ASP A 57 -5.562 -28.799 -18.424 1.00 0.00 C ATOM 821 C ASP A 57 -4.052 -29.013 -18.410 1.00 0.00 C ATOM 822 O ASP A 57 -3.394 -28.931 -19.447 1.00 0.00 O ATOM 823 CB ASP A 57 -6.260 -30.104 -18.809 1.00 0.00 C ATOM 824 CG ASP A 57 -5.999 -31.167 -17.749 1.00 0.00 C ATOM 825 OD1 ASP A 57 -5.173 -30.924 -16.883 1.00 0.00 O ATOM 826 OD2 ASP A 57 -6.628 -32.210 -17.815 1.00 0.00 O ATOM 0 H ASP A 57 -6.583 -28.030 -20.089 1.00 0.00 H new ATOM 0 HA ASP A 57 -5.883 -28.495 -17.428 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.332 -29.936 -18.911 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.897 -30.448 -19.778 1.00 0.00 H new ATOM 831 N GLY A 58 -3.511 -29.289 -17.229 1.00 0.00 N ATOM 832 CA GLY A 58 -2.078 -29.518 -17.091 1.00 0.00 C ATOM 833 C GLY A 58 -1.321 -28.206 -16.908 1.00 0.00 C ATOM 834 O GLY A 58 -0.092 -28.194 -16.877 1.00 0.00 O ATOM 0 H GLY A 58 -4.039 -29.359 -16.359 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.892 -30.169 -16.237 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -1.704 -30.036 -17.974 1.00 0.00 H new ATOM 838 N GLU A 59 -2.056 -27.106 -16.781 1.00 0.00 N ATOM 839 CA GLU A 59 -1.424 -25.803 -16.596 1.00 0.00 C ATOM 840 C GLU A 59 -1.842 -25.182 -15.268 1.00 0.00 C ATOM 841 O GLU A 59 -2.997 -25.291 -14.854 1.00 0.00 O ATOM 842 CB GLU A 59 -1.804 -24.864 -17.737 1.00 0.00 C ATOM 843 CG GLU A 59 -1.169 -25.362 -19.036 1.00 0.00 C ATOM 844 CD GLU A 59 -1.618 -24.490 -20.204 1.00 0.00 C ATOM 845 OE1 GLU A 59 -1.065 -24.647 -21.279 1.00 0.00 O ATOM 846 OE2 GLU A 59 -2.507 -23.679 -20.004 1.00 0.00 O ATOM 0 H GLU A 59 -3.076 -27.088 -16.802 1.00 0.00 H new ATOM 0 HA GLU A 59 -0.344 -25.950 -16.592 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.888 -24.821 -17.842 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -1.465 -23.852 -17.518 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -0.083 -25.339 -18.951 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.453 -26.399 -19.215 1.00 0.00 H new ATOM 853 N TRP A 60 -0.895 -24.524 -14.606 1.00 0.00 N ATOM 854 CA TRP A 60 -1.169 -23.881 -13.329 1.00 0.00 C ATOM 855 C TRP A 60 -0.633 -22.456 -13.326 1.00 0.00 C ATOM 856 O TRP A 60 0.440 -22.185 -13.864 1.00 0.00 O ATOM 857 CB TRP A 60 -0.517 -24.665 -12.191 1.00 0.00 C ATOM 858 CG TRP A 60 -1.180 -25.996 -12.041 1.00 0.00 C ATOM 859 CD1 TRP A 60 -0.758 -27.146 -12.612 1.00 0.00 C ATOM 860 CD2 TRP A 60 -2.370 -26.332 -11.273 1.00 0.00 C ATOM 861 NE1 TRP A 60 -1.616 -28.169 -12.243 1.00 0.00 N ATOM 862 CE2 TRP A 60 -2.626 -27.716 -11.417 1.00 0.00 C ATOM 863 CE3 TRP A 60 -3.242 -25.575 -10.473 1.00 0.00 C ATOM 864 CZ2 TRP A 60 -3.711 -28.327 -10.788 1.00 0.00 C ATOM 865 CZ3 TRP A 60 -4.335 -26.187 -9.839 1.00 0.00 C ATOM 866 CH2 TRP A 60 -4.569 -27.560 -9.996 1.00 0.00 C ATOM 0 H TRP A 60 0.066 -24.423 -14.933 1.00 0.00 H new ATOM 0 HA TRP A 60 -2.249 -23.860 -13.183 1.00 0.00 H new ATOM 0 HB2 TRP A 60 0.546 -24.800 -12.393 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -0.596 -24.104 -11.260 1.00 0.00 H new ATOM 0 HD1 TRP A 60 0.106 -27.250 -13.251 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -1.514 -29.138 -12.544 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -3.071 -24.516 -10.345 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -3.886 -29.385 -10.912 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -5.000 -25.596 -9.226 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -5.412 -28.024 -9.505 1.00 0.00 H new ATOM 877 N LEU A 61 -1.378 -21.554 -12.704 1.00 0.00 N ATOM 878 CA LEU A 61 -0.964 -20.161 -12.617 1.00 0.00 C ATOM 879 C LEU A 61 -0.336 -19.913 -11.251 1.00 0.00 C ATOM 880 O LEU A 61 -0.834 -20.404 -10.239 1.00 0.00 O ATOM 881 CB LEU A 61 -2.171 -19.244 -12.820 1.00 0.00 C ATOM 882 CG LEU A 61 -1.714 -17.789 -12.787 1.00 0.00 C ATOM 883 CD1 LEU A 61 -0.706 -17.556 -13.914 1.00 0.00 C ATOM 884 CD2 LEU A 61 -2.926 -16.873 -12.985 1.00 0.00 C ATOM 0 H LEU A 61 -2.269 -21.760 -12.253 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.232 -19.946 -13.396 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.652 -19.464 -13.773 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.912 -19.422 -12.040 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.247 -17.569 -11.827 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.375 -16.518 -13.897 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.153 -18.213 -13.776 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.177 -17.771 -14.873 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.603 -15.832 -12.962 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.391 -17.087 -13.947 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.648 -17.047 -12.187 1.00 0.00 H new ATOM 896 N ASN A 62 0.761 -19.161 -11.211 1.00 0.00 N ATOM 897 CA ASN A 62 1.430 -18.884 -9.946 1.00 0.00 C ATOM 898 C ASN A 62 1.104 -17.478 -9.455 1.00 0.00 C ATOM 899 O ASN A 62 1.357 -16.495 -10.149 1.00 0.00 O ATOM 900 CB ASN A 62 2.944 -19.030 -10.113 1.00 0.00 C ATOM 901 CG ASN A 62 3.647 -18.713 -8.797 1.00 0.00 C ATOM 902 OD1 ASN A 62 4.115 -17.595 -8.595 1.00 0.00 O ATOM 903 ND2 ASN A 62 3.748 -19.642 -7.884 1.00 0.00 N ATOM 0 H ASN A 62 1.200 -18.738 -12.029 1.00 0.00 H new ATOM 0 HA ASN A 62 1.073 -19.602 -9.208 1.00 0.00 H new ATOM 0 HB2 ASN A 62 3.187 -20.044 -10.430 1.00 0.00 H new ATOM 0 HB3 ASN A 62 3.298 -18.358 -10.895 1.00 0.00 H new ATOM 0 HD21 ASN A 62 4.216 -19.440 -7.001 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.358 -20.569 -8.055 1.00 0.00 H new ATOM 910 N VAL A 63 0.548 -17.387 -8.250 1.00 0.00 N ATOM 911 CA VAL A 63 0.202 -16.093 -7.675 1.00 0.00 C ATOM 912 C VAL A 63 1.018 -15.842 -6.411 1.00 0.00 C ATOM 913 O VAL A 63 1.020 -16.660 -5.492 1.00 0.00 O ATOM 914 CB VAL A 63 -1.290 -16.050 -7.341 1.00 0.00 C ATOM 915 CG1 VAL A 63 -1.634 -14.699 -6.710 1.00 0.00 C ATOM 916 CG2 VAL A 63 -2.106 -16.235 -8.622 1.00 0.00 C ATOM 0 H VAL A 63 0.329 -18.188 -7.658 1.00 0.00 H new ATOM 0 HA VAL A 63 0.429 -15.316 -8.405 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.527 -16.850 -6.640 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.697 -14.669 -6.472 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.054 -14.566 -5.797 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.396 -13.899 -7.411 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.169 -16.204 -8.384 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.868 -15.435 -9.324 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.863 -17.197 -9.073 1.00 0.00 H new ATOM 926 N SER A 64 1.713 -14.711 -6.376 1.00 0.00 N ATOM 927 CA SER A 64 2.536 -14.358 -5.225 1.00 0.00 C ATOM 928 C SER A 64 2.732 -12.845 -5.175 1.00 0.00 C ATOM 929 O SER A 64 2.346 -12.137 -6.104 1.00 0.00 O ATOM 930 CB SER A 64 3.897 -15.050 -5.321 1.00 0.00 C ATOM 931 OG SER A 64 4.619 -14.513 -6.422 1.00 0.00 O ATOM 0 H SER A 64 1.723 -14.024 -7.130 1.00 0.00 H new ATOM 0 HA SER A 64 2.033 -14.687 -4.316 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.458 -14.905 -4.398 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.764 -16.124 -5.448 1.00 0.00 H new ATOM 0 HG SER A 64 4.018 -14.414 -7.190 1.00 0.00 H new ATOM 937 N HIS A 65 3.329 -12.352 -4.095 1.00 0.00 N ATOM 938 CA HIS A 65 3.557 -10.918 -3.964 1.00 0.00 C ATOM 939 C HIS A 65 4.863 -10.647 -3.225 1.00 0.00 C ATOM 940 O HIS A 65 5.396 -11.526 -2.548 1.00 0.00 O ATOM 941 CB HIS A 65 2.398 -10.266 -3.208 1.00 0.00 C ATOM 942 CG HIS A 65 2.414 -10.724 -1.774 1.00 0.00 C ATOM 943 ND1 HIS A 65 1.928 -11.963 -1.387 1.00 0.00 N ATOM 944 CD2 HIS A 65 2.853 -10.117 -0.624 1.00 0.00 C ATOM 945 CE1 HIS A 65 2.085 -12.062 -0.054 1.00 0.00 C ATOM 946 NE2 HIS A 65 2.645 -10.963 0.461 1.00 0.00 N ATOM 0 H HIS A 65 3.659 -12.913 -3.310 1.00 0.00 H new ATOM 0 HA HIS A 65 3.622 -10.491 -4.965 1.00 0.00 H new ATOM 0 HB2 HIS A 65 2.484 -9.180 -3.255 1.00 0.00 H new ATOM 0 HB3 HIS A 65 1.450 -10.531 -3.675 1.00 0.00 H new ATOM 0 HD2 HIS A 65 3.293 -9.132 -0.569 1.00 0.00 H new ATOM 0 HE1 HIS A 65 1.794 -12.924 0.528 1.00 0.00 H new ATOM 0 HE2 HIS A 65 2.871 -10.783 1.439 1.00 0.00 H new ATOM 954 N GLU A 66 5.378 -9.429 -3.364 1.00 0.00 N ATOM 955 CA GLU A 66 6.625 -9.056 -2.710 1.00 0.00 C ATOM 956 C GLU A 66 6.346 -8.413 -1.355 1.00 0.00 C ATOM 957 O GLU A 66 5.535 -7.492 -1.249 1.00 0.00 O ATOM 958 CB GLU A 66 7.401 -8.077 -3.591 1.00 0.00 C ATOM 959 CG GLU A 66 8.699 -7.673 -2.888 1.00 0.00 C ATOM 960 CD GLU A 66 9.592 -8.894 -2.699 1.00 0.00 C ATOM 961 OE1 GLU A 66 10.477 -8.832 -1.863 1.00 0.00 O ATOM 962 OE2 GLU A 66 9.376 -9.873 -3.395 1.00 0.00 O ATOM 0 H GLU A 66 4.953 -8.688 -3.921 1.00 0.00 H new ATOM 0 HA GLU A 66 7.219 -9.957 -2.557 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.625 -8.537 -4.554 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.795 -7.194 -3.793 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.221 -6.918 -3.476 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.474 -7.224 -1.921 1.00 0.00 H new