USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 714 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 65 ASN : amide:sc= -0.281 K(o=-0.39,f=-3!) USER MOD Set 1.2: A 69 SER OG : rot 180:sc= -0.111 USER MOD Set 2.1: A 17 HIS : no HE2:sc= -13.4! C(o=-15!,f=-16!) USER MOD Set 2.2: A 30 TYR OH : rot 180:sc= -1.99! USER MOD Single : A 1 LYS N :NH3+ -154:sc= 0.112 (180deg=0.0492) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -0.0286 X(o=-0.029,f=0) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 55:sc= 1.02 USER MOD Single : A 18 GLN : amide:sc= -0.32 X(o=-0.32,f=-0.021) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -156:sc= -0.0176 (180deg=-0.614) USER MOD Single : A 29 TYR OH : rot 180:sc= -0.153 USER MOD Single : A 33 ASN : amide:sc= -1.56 X(o=-1.6,f=-1.7!) USER MOD Single : A 40 CYS SG : rot -74:sc= -2.4! USER MOD Single : A 42 THR OG1 : rot -129:sc= 1.14 USER MOD Single : A 47 TYR OH : rot -40:sc= -2.06! USER MOD Single : A 55 GLN : amide:sc= -2.38! C(o=-2.4!,f=-10!) USER MOD Single : A 58 GLN : amide:sc= -0.325 K(o=-0.32,f=-3.3!) USER MOD Single : A 59 SER OG : rot 41:sc= 0.819! USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -0.177 K(o=-0.18,f=-1.9!) USER MOD Single : A 63 THR OG1 : rot -39:sc= -2.54! USER MOD Single : A 72 GLN : amide:sc= -0.256 K(o=-0.26,f=-1.1) USER MOD Single : A 78 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.122) USER MOD Single : A 82 CYS SG : rot -119:sc= -1.33 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -8.661 4.583 8.284 1.00 0.00 N ATOM 2 CA LYS A 1 -7.522 4.489 9.240 1.00 0.00 C ATOM 3 C LYS A 1 -6.261 5.064 8.592 1.00 0.00 C ATOM 4 O LYS A 1 -6.307 5.649 7.526 1.00 0.00 O ATOM 5 CB LYS A 1 -7.284 3.023 9.610 1.00 0.00 C ATOM 6 CG LYS A 1 -7.158 2.894 11.130 1.00 0.00 C ATOM 7 CD LYS A 1 -8.537 2.623 11.736 1.00 0.00 C ATOM 8 CE LYS A 1 -8.704 3.447 13.015 1.00 0.00 C ATOM 9 NZ LYS A 1 -9.577 4.622 12.738 1.00 0.00 N ATOM 0 H1 LYS A 1 -9.556 4.623 8.813 1.00 0.00 H new ATOM 0 H2 LYS A 1 -8.561 5.443 7.708 1.00 0.00 H new ATOM 0 H3 LYS A 1 -8.663 3.749 7.663 1.00 0.00 H new ATOM 0 HA LYS A 1 -7.757 5.056 10.140 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -8.108 2.407 9.249 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -6.378 2.657 9.127 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -6.473 2.084 11.381 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -6.738 3.808 11.550 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -9.317 2.881 11.020 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -8.646 1.561 11.958 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -9.142 2.833 13.802 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -7.731 3.780 13.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -9.691 5.182 13.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -9.142 5.212 12.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -10.509 4.293 12.413 1.00 0.00 H new ATOM 25 N LYS A 2 -5.132 4.907 9.227 1.00 0.00 N ATOM 26 CA LYS A 2 -3.877 5.453 8.644 1.00 0.00 C ATOM 27 C LYS A 2 -2.936 4.302 8.265 1.00 0.00 C ATOM 28 O LYS A 2 -2.988 3.224 8.822 1.00 0.00 O ATOM 29 CB LYS A 2 -3.217 6.408 9.664 1.00 0.00 C ATOM 30 CG LYS A 2 -1.787 5.965 10.011 1.00 0.00 C ATOM 31 CD LYS A 2 -1.111 7.040 10.865 1.00 0.00 C ATOM 32 CE LYS A 2 -0.184 7.883 9.986 1.00 0.00 C ATOM 33 NZ LYS A 2 0.716 8.696 10.852 1.00 0.00 N ATOM 0 H LYS A 2 -5.026 4.426 10.120 1.00 0.00 H new ATOM 0 HA LYS A 2 -4.099 6.016 7.737 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -3.197 7.419 9.256 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -3.818 6.443 10.573 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -1.809 5.018 10.550 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -1.215 5.798 9.098 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -1.864 7.675 11.332 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -0.542 6.575 11.670 1.00 0.00 H new ATOM 0 HE2 LYS A 2 0.405 7.237 9.336 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -0.771 8.535 9.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 1.346 9.269 10.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 0.145 9.322 11.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 1.285 8.064 11.451 1.00 0.00 H new ATOM 47 N ALA A 3 -2.072 4.545 7.323 1.00 0.00 N ATOM 48 CA ALA A 3 -1.105 3.502 6.885 1.00 0.00 C ATOM 49 C ALA A 3 0.298 4.112 6.840 1.00 0.00 C ATOM 50 O ALA A 3 0.459 5.317 6.817 1.00 0.00 O ATOM 51 CB ALA A 3 -1.490 2.998 5.492 1.00 0.00 C ATOM 0 H ALA A 3 -1.993 5.435 6.830 1.00 0.00 H new ATOM 0 HA ALA A 3 -1.122 2.667 7.585 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -0.781 2.234 5.173 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -2.493 2.572 5.524 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -1.471 3.829 4.786 1.00 0.00 H new ATOM 57 N VAL A 4 1.316 3.296 6.832 1.00 0.00 N ATOM 58 CA VAL A 4 2.704 3.838 6.795 1.00 0.00 C ATOM 59 C VAL A 4 3.620 2.854 6.067 1.00 0.00 C ATOM 60 O VAL A 4 3.802 1.731 6.493 1.00 0.00 O ATOM 61 CB VAL A 4 3.208 4.031 8.226 1.00 0.00 C ATOM 62 CG1 VAL A 4 4.661 4.509 8.198 1.00 0.00 C ATOM 63 CG2 VAL A 4 2.339 5.073 8.933 1.00 0.00 C ATOM 0 H VAL A 4 1.247 2.278 6.849 1.00 0.00 H new ATOM 0 HA VAL A 4 2.707 4.793 6.270 1.00 0.00 H new ATOM 0 HB VAL A 4 3.151 3.084 8.763 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.019 4.646 9.218 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.279 3.766 7.694 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.722 5.456 7.662 1.00 0.00 H new ATOM 0 HG21 VAL A 4 2.696 5.213 9.953 1.00 0.00 H new ATOM 0 HG22 VAL A 4 2.396 6.020 8.396 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.305 4.730 8.954 1.00 0.00 H new ATOM 73 N ILE A 5 4.205 3.265 4.974 1.00 0.00 N ATOM 74 CA ILE A 5 5.113 2.344 4.234 1.00 0.00 C ATOM 75 C ILE A 5 6.563 2.668 4.581 1.00 0.00 C ATOM 76 O ILE A 5 7.164 3.561 4.016 1.00 0.00 O ATOM 77 CB ILE A 5 4.902 2.504 2.731 1.00 0.00 C ATOM 78 CG1 ILE A 5 3.388 2.442 2.438 1.00 0.00 C ATOM 79 CG2 ILE A 5 5.669 1.391 1.998 1.00 0.00 C ATOM 80 CD1 ILE A 5 3.064 1.395 1.363 1.00 0.00 C ATOM 0 H ILE A 5 4.094 4.192 4.564 1.00 0.00 H new ATOM 0 HA ILE A 5 4.890 1.316 4.521 1.00 0.00 H new ATOM 0 HB ILE A 5 5.282 3.463 2.380 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.849 2.202 3.354 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.040 3.421 2.110 1.00 0.00 H new ATOM 0 HG21 ILE A 5 5.524 1.497 0.923 1.00 0.00 H new ATOM 0 HG22 ILE A 5 6.731 1.467 2.231 1.00 0.00 H new ATOM 0 HG23 ILE A 5 5.296 0.419 2.320 1.00 0.00 H new ATOM 0 HD11 ILE A 5 1.989 1.379 1.183 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.583 1.649 0.439 1.00 0.00 H new ATOM 0 HD13 ILE A 5 3.389 0.412 1.703 1.00 0.00 H new ATOM 92 N ASN A 6 7.130 1.947 5.506 1.00 0.00 N ATOM 93 CA ASN A 6 8.540 2.202 5.891 1.00 0.00 C ATOM 94 C ASN A 6 9.462 1.428 4.946 1.00 0.00 C ATOM 95 O ASN A 6 9.715 0.255 5.135 1.00 0.00 O ATOM 96 CB ASN A 6 8.755 1.731 7.328 1.00 0.00 C ATOM 97 CG ASN A 6 8.109 2.724 8.295 1.00 0.00 C ATOM 98 OD1 ASN A 6 7.213 2.373 9.035 1.00 0.00 O ATOM 99 ND2 ASN A 6 8.529 3.959 8.319 1.00 0.00 N ATOM 0 H ASN A 6 6.673 1.189 6.013 1.00 0.00 H new ATOM 0 HA ASN A 6 8.764 3.267 5.822 1.00 0.00 H new ATOM 0 HB2 ASN A 6 8.322 0.740 7.465 1.00 0.00 H new ATOM 0 HB3 ASN A 6 9.821 1.645 7.538 1.00 0.00 H new ATOM 0 HD21 ASN A 6 8.104 4.630 8.960 1.00 0.00 H new ATOM 0 HD22 ASN A 6 9.282 4.254 7.697 1.00 0.00 H new ATOM 106 N GLY A 7 9.957 2.073 3.925 1.00 0.00 N ATOM 107 CA GLY A 7 10.855 1.373 2.963 1.00 0.00 C ATOM 108 C GLY A 7 12.071 0.813 3.704 1.00 0.00 C ATOM 109 O GLY A 7 12.473 -0.314 3.491 1.00 0.00 O ATOM 0 H GLY A 7 9.778 3.055 3.715 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.315 0.565 2.469 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.178 2.064 2.184 1.00 0.00 H new ATOM 113 N GLU A 8 12.660 1.591 4.570 1.00 0.00 N ATOM 114 CA GLU A 8 13.851 1.103 5.321 1.00 0.00 C ATOM 115 C GLU A 8 13.604 -0.331 5.796 1.00 0.00 C ATOM 116 O GLU A 8 14.523 -1.108 5.961 1.00 0.00 O ATOM 117 CB GLU A 8 14.094 2.005 6.532 1.00 0.00 C ATOM 118 CG GLU A 8 12.772 2.245 7.264 1.00 0.00 C ATOM 119 CD GLU A 8 13.037 2.402 8.762 1.00 0.00 C ATOM 120 OE1 GLU A 8 13.844 3.247 9.115 1.00 0.00 O ATOM 121 OE2 GLU A 8 12.430 1.675 9.531 1.00 0.00 O ATOM 0 H GLU A 8 12.368 2.543 4.790 1.00 0.00 H new ATOM 0 HA GLU A 8 14.724 1.124 4.669 1.00 0.00 H new ATOM 0 HB2 GLU A 8 14.815 1.542 7.205 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.522 2.955 6.211 1.00 0.00 H new ATOM 0 HG2 GLU A 8 12.286 3.140 6.875 1.00 0.00 H new ATOM 0 HG3 GLU A 8 12.092 1.411 7.090 1.00 0.00 H new ATOM 128 N GLN A 9 12.369 -0.684 6.025 1.00 0.00 N ATOM 129 CA GLN A 9 12.063 -2.061 6.497 1.00 0.00 C ATOM 130 C GLN A 9 11.714 -2.958 5.308 1.00 0.00 C ATOM 131 O GLN A 9 12.116 -4.103 5.247 1.00 0.00 O ATOM 132 CB GLN A 9 10.875 -2.004 7.456 1.00 0.00 C ATOM 133 CG GLN A 9 11.222 -1.102 8.641 1.00 0.00 C ATOM 134 CD GLN A 9 10.226 -1.343 9.776 1.00 0.00 C ATOM 135 OE1 GLN A 9 9.268 -0.611 9.925 1.00 0.00 O ATOM 136 NE2 GLN A 9 10.412 -2.347 10.589 1.00 0.00 N ATOM 0 H GLN A 9 11.559 -0.076 5.905 1.00 0.00 H new ATOM 0 HA GLN A 9 12.935 -2.472 7.006 1.00 0.00 H new ATOM 0 HB2 GLN A 9 9.995 -1.622 6.939 1.00 0.00 H new ATOM 0 HB3 GLN A 9 10.629 -3.006 7.807 1.00 0.00 H new ATOM 0 HG2 GLN A 9 12.236 -1.308 8.983 1.00 0.00 H new ATOM 0 HG3 GLN A 9 11.195 -0.056 8.335 1.00 0.00 H new ATOM 0 HE21 GLN A 9 11.216 -2.962 10.464 1.00 0.00 H new ATOM 0 HE22 GLN A 9 9.753 -2.517 11.349 1.00 0.00 H new ATOM 145 N ILE A 10 10.957 -2.455 4.372 1.00 0.00 N ATOM 146 CA ILE A 10 10.569 -3.285 3.199 1.00 0.00 C ATOM 147 C ILE A 10 11.761 -4.108 2.714 1.00 0.00 C ATOM 148 O ILE A 10 12.830 -3.592 2.457 1.00 0.00 O ATOM 149 CB ILE A 10 10.076 -2.392 2.058 1.00 0.00 C ATOM 150 CG1 ILE A 10 8.723 -1.802 2.433 1.00 0.00 C ATOM 151 CG2 ILE A 10 9.917 -3.233 0.789 1.00 0.00 C ATOM 152 CD1 ILE A 10 7.683 -2.913 2.440 1.00 0.00 C ATOM 0 H ILE A 10 10.590 -1.503 4.370 1.00 0.00 H new ATOM 0 HA ILE A 10 9.767 -3.957 3.506 1.00 0.00 H new ATOM 0 HB ILE A 10 10.795 -1.592 1.883 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.777 -1.330 3.414 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.440 -1.026 1.722 1.00 0.00 H new ATOM 0 HG21 ILE A 10 9.566 -2.600 -0.026 1.00 0.00 H new ATOM 0 HG22 ILE A 10 10.878 -3.671 0.520 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.193 -4.028 0.968 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.711 -2.499 2.708 1.00 0.00 H new ATOM 0 HD12 ILE A 10 7.625 -3.364 1.449 1.00 0.00 H new ATOM 0 HD13 ILE A 10 7.967 -3.673 3.168 1.00 0.00 H new ATOM 164 N ARG A 11 11.568 -5.387 2.581 1.00 0.00 N ATOM 165 CA ARG A 11 12.653 -6.273 2.105 1.00 0.00 C ATOM 166 C ARG A 11 12.272 -6.816 0.725 1.00 0.00 C ATOM 167 O ARG A 11 13.056 -7.464 0.060 1.00 0.00 O ATOM 168 CB ARG A 11 12.803 -7.431 3.087 1.00 0.00 C ATOM 169 CG ARG A 11 13.373 -6.912 4.408 1.00 0.00 C ATOM 170 CD ARG A 11 14.129 -8.035 5.122 1.00 0.00 C ATOM 171 NE ARG A 11 13.497 -9.346 4.803 1.00 0.00 N ATOM 172 CZ ARG A 11 14.137 -10.456 5.053 1.00 0.00 C ATOM 173 NH1 ARG A 11 14.919 -10.537 6.094 1.00 0.00 N ATOM 174 NH2 ARG A 11 13.994 -11.484 4.262 1.00 0.00 N ATOM 0 H ARG A 11 10.688 -5.861 2.786 1.00 0.00 H new ATOM 0 HA ARG A 11 13.593 -5.726 2.037 1.00 0.00 H new ATOM 0 HB2 ARG A 11 11.836 -7.904 3.257 1.00 0.00 H new ATOM 0 HB3 ARG A 11 13.461 -8.193 2.669 1.00 0.00 H new ATOM 0 HG2 ARG A 11 14.042 -6.072 4.221 1.00 0.00 H new ATOM 0 HG3 ARG A 11 12.567 -6.543 5.042 1.00 0.00 H new ATOM 0 HD2 ARG A 11 15.174 -8.038 4.811 1.00 0.00 H new ATOM 0 HD3 ARG A 11 14.118 -7.867 6.199 1.00 0.00 H new ATOM 0 HE ARG A 11 12.565 -9.376 4.390 1.00 0.00 H new ATOM 0 HH11 ARG A 11 15.030 -9.733 6.712 1.00 0.00 H new ATOM 0 HH12 ARG A 11 15.419 -11.404 6.290 1.00 0.00 H new ATOM 0 HH21 ARG A 11 13.382 -11.420 3.448 1.00 0.00 H new ATOM 0 HH22 ARG A 11 14.494 -12.351 4.457 1.00 0.00 H new ATOM 188 N SER A 12 11.066 -6.553 0.294 1.00 0.00 N ATOM 189 CA SER A 12 10.615 -7.046 -1.036 1.00 0.00 C ATOM 190 C SER A 12 9.174 -6.588 -1.279 1.00 0.00 C ATOM 191 O SER A 12 8.536 -6.009 -0.415 1.00 0.00 O ATOM 192 CB SER A 12 10.678 -8.574 -1.063 1.00 0.00 C ATOM 193 OG SER A 12 10.017 -9.091 0.084 1.00 0.00 O ATOM 0 H SER A 12 10.372 -6.014 0.811 1.00 0.00 H new ATOM 0 HA SER A 12 11.263 -6.645 -1.815 1.00 0.00 H new ATOM 0 HB2 SER A 12 10.207 -8.953 -1.970 1.00 0.00 H new ATOM 0 HB3 SER A 12 11.716 -8.907 -1.080 1.00 0.00 H new ATOM 0 HG SER A 12 10.054 -10.070 0.069 1.00 0.00 H new ATOM 199 N ILE A 13 8.649 -6.845 -2.444 1.00 0.00 N ATOM 200 CA ILE A 13 7.252 -6.422 -2.725 1.00 0.00 C ATOM 201 C ILE A 13 6.339 -7.077 -1.690 1.00 0.00 C ATOM 202 O ILE A 13 5.486 -6.440 -1.105 1.00 0.00 O ATOM 203 CB ILE A 13 6.860 -6.850 -4.154 1.00 0.00 C ATOM 204 CG1 ILE A 13 5.708 -5.986 -4.718 1.00 0.00 C ATOM 205 CG2 ILE A 13 6.419 -8.317 -4.152 1.00 0.00 C ATOM 206 CD1 ILE A 13 5.606 -4.627 -4.003 1.00 0.00 C ATOM 0 H ILE A 13 9.124 -7.326 -3.208 1.00 0.00 H new ATOM 0 HA ILE A 13 7.156 -5.338 -2.659 1.00 0.00 H new ATOM 0 HB ILE A 13 7.736 -6.713 -4.788 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.864 -5.824 -5.785 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.766 -6.524 -4.612 1.00 0.00 H new ATOM 0 HG21 ILE A 13 6.143 -8.615 -5.163 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.239 -8.943 -3.800 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.561 -8.438 -3.491 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.784 -4.052 -4.430 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.423 -4.788 -2.941 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.539 -4.077 -4.131 1.00 0.00 H new ATOM 218 N SER A 14 6.534 -8.343 -1.439 1.00 0.00 N ATOM 219 CA SER A 14 5.701 -9.029 -0.419 1.00 0.00 C ATOM 220 C SER A 14 5.723 -8.180 0.847 1.00 0.00 C ATOM 221 O SER A 14 4.714 -7.956 1.481 1.00 0.00 O ATOM 222 CB SER A 14 6.294 -10.404 -0.118 1.00 0.00 C ATOM 223 OG SER A 14 5.260 -11.279 0.313 1.00 0.00 O ATOM 0 H SER A 14 7.233 -8.928 -1.896 1.00 0.00 H new ATOM 0 HA SER A 14 4.680 -9.155 -0.780 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.779 -10.806 -1.008 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.060 -10.321 0.653 1.00 0.00 H new ATOM 0 HG SER A 14 4.544 -11.294 -0.356 1.00 0.00 H new ATOM 229 N ASP A 15 6.881 -7.694 1.203 1.00 0.00 N ATOM 230 CA ASP A 15 7.003 -6.841 2.409 1.00 0.00 C ATOM 231 C ASP A 15 6.103 -5.618 2.250 1.00 0.00 C ATOM 232 O ASP A 15 5.396 -5.233 3.157 1.00 0.00 O ATOM 233 CB ASP A 15 8.451 -6.389 2.564 1.00 0.00 C ATOM 234 CG ASP A 15 8.990 -6.862 3.915 1.00 0.00 C ATOM 235 OD1 ASP A 15 8.860 -8.041 4.203 1.00 0.00 O ATOM 236 OD2 ASP A 15 9.522 -6.038 4.640 1.00 0.00 O ATOM 0 H ASP A 15 7.754 -7.856 0.701 1.00 0.00 H new ATOM 0 HA ASP A 15 6.703 -7.406 3.292 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.059 -6.795 1.755 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.514 -5.303 2.495 1.00 0.00 H new ATOM 241 N LEU A 16 6.119 -5.012 1.097 1.00 0.00 N ATOM 242 CA LEU A 16 5.250 -3.824 0.869 1.00 0.00 C ATOM 243 C LEU A 16 3.816 -4.202 1.222 1.00 0.00 C ATOM 244 O LEU A 16 3.149 -3.541 1.997 1.00 0.00 O ATOM 245 CB LEU A 16 5.330 -3.429 -0.606 1.00 0.00 C ATOM 246 CG LEU A 16 4.710 -2.045 -0.814 1.00 0.00 C ATOM 247 CD1 LEU A 16 5.232 -1.078 0.251 1.00 0.00 C ATOM 248 CD2 LEU A 16 5.095 -1.526 -2.199 1.00 0.00 C ATOM 0 H LEU A 16 6.696 -5.287 0.302 1.00 0.00 H new ATOM 0 HA LEU A 16 5.575 -2.986 1.486 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.370 -3.423 -0.933 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.808 -4.166 -1.217 1.00 0.00 H new ATOM 0 HG LEU A 16 3.625 -2.118 -0.733 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.788 -0.094 0.098 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.964 -1.448 1.241 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.317 -1.002 0.173 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.656 -0.540 -2.353 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.180 -1.456 -2.272 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.724 -2.212 -2.961 1.00 0.00 H new ATOM 260 N HIS A 17 3.351 -5.275 0.661 1.00 0.00 N ATOM 261 CA HIS A 17 1.974 -5.743 0.943 1.00 0.00 C ATOM 262 C HIS A 17 1.882 -6.190 2.405 1.00 0.00 C ATOM 263 O HIS A 17 0.818 -6.244 2.988 1.00 0.00 O ATOM 264 CB HIS A 17 1.677 -6.911 0.007 1.00 0.00 C ATOM 265 CG HIS A 17 2.068 -6.520 -1.391 1.00 0.00 C ATOM 266 ND1 HIS A 17 1.478 -5.450 -2.049 1.00 0.00 N ATOM 267 CD2 HIS A 17 2.993 -7.033 -2.266 1.00 0.00 C ATOM 268 CE1 HIS A 17 2.050 -5.356 -3.263 1.00 0.00 C ATOM 269 NE2 HIS A 17 2.978 -6.296 -3.446 1.00 0.00 N ATOM 0 H HIS A 17 3.876 -5.857 0.008 1.00 0.00 H new ATOM 0 HA HIS A 17 1.248 -4.946 0.781 1.00 0.00 H new ATOM 0 HB2 HIS A 17 2.230 -7.796 0.320 1.00 0.00 H new ATOM 0 HB3 HIS A 17 0.618 -7.166 0.046 1.00 0.00 H new ATOM 0 HD1 HIS A 17 0.744 -4.845 -1.680 1.00 0.00 H new ATOM 0 HD2 HIS A 17 3.634 -7.879 -2.069 1.00 0.00 H new ATOM 0 HE1 HIS A 17 1.789 -4.610 -3.999 1.00 0.00 H new ATOM 277 N GLN A 18 2.995 -6.499 3.008 1.00 0.00 N ATOM 278 CA GLN A 18 2.978 -6.928 4.425 1.00 0.00 C ATOM 279 C GLN A 18 2.582 -5.737 5.295 1.00 0.00 C ATOM 280 O GLN A 18 1.612 -5.780 6.027 1.00 0.00 O ATOM 281 CB GLN A 18 4.372 -7.413 4.828 1.00 0.00 C ATOM 282 CG GLN A 18 4.348 -7.890 6.282 1.00 0.00 C ATOM 283 CD GLN A 18 5.779 -7.973 6.816 1.00 0.00 C ATOM 284 OE1 GLN A 18 6.185 -8.989 7.343 1.00 0.00 O ATOM 285 NE2 GLN A 18 6.566 -6.938 6.702 1.00 0.00 N ATOM 0 H GLN A 18 3.918 -6.471 2.575 1.00 0.00 H new ATOM 0 HA GLN A 18 2.263 -7.740 4.559 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.689 -8.225 4.173 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.097 -6.607 4.711 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.761 -7.203 6.891 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.867 -8.866 6.348 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.225 -6.085 6.259 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.522 -6.983 7.055 1.00 0.00 H new ATOM 294 N THR A 19 3.326 -4.669 5.213 1.00 0.00 N ATOM 295 CA THR A 19 2.996 -3.475 6.024 1.00 0.00 C ATOM 296 C THR A 19 1.604 -2.986 5.616 1.00 0.00 C ATOM 297 O THR A 19 0.792 -2.635 6.443 1.00 0.00 O ATOM 298 CB THR A 19 4.069 -2.385 5.797 1.00 0.00 C ATOM 299 OG1 THR A 19 4.711 -2.104 7.033 1.00 0.00 O ATOM 300 CG2 THR A 19 3.443 -1.090 5.262 1.00 0.00 C ATOM 0 H THR A 19 4.149 -4.576 4.617 1.00 0.00 H new ATOM 0 HA THR A 19 2.988 -3.716 7.087 1.00 0.00 H new ATOM 0 HB THR A 19 4.784 -2.755 5.062 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.394 -1.415 6.897 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.223 -0.343 5.113 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.947 -1.291 4.313 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.714 -0.715 5.980 1.00 0.00 H new ATOM 308 N LEU A 20 1.324 -2.970 4.342 1.00 0.00 N ATOM 309 CA LEU A 20 -0.005 -2.519 3.880 1.00 0.00 C ATOM 310 C LEU A 20 -1.068 -3.413 4.513 1.00 0.00 C ATOM 311 O LEU A 20 -2.155 -2.994 4.821 1.00 0.00 O ATOM 312 CB LEU A 20 -0.063 -2.654 2.363 1.00 0.00 C ATOM 313 CG LEU A 20 0.834 -1.595 1.719 1.00 0.00 C ATOM 314 CD1 LEU A 20 0.800 -1.757 0.201 1.00 0.00 C ATOM 315 CD2 LEU A 20 0.334 -0.196 2.094 1.00 0.00 C ATOM 0 H LEU A 20 1.967 -3.253 3.602 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.180 -1.481 4.164 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.261 -3.651 2.064 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.090 -2.535 2.016 1.00 0.00 H new ATOM 0 HG LEU A 20 1.856 -1.720 2.078 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.439 -1.003 -0.260 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.160 -2.750 -0.067 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.223 -1.633 -0.155 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.976 0.555 1.633 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.688 -0.068 1.738 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.359 -0.079 3.177 1.00 0.00 H new ATOM 327 N LYS A 21 -0.737 -4.649 4.698 1.00 0.00 N ATOM 328 CA LYS A 21 -1.688 -5.622 5.307 1.00 0.00 C ATOM 329 C LYS A 21 -1.903 -5.285 6.781 1.00 0.00 C ATOM 330 O LYS A 21 -3.008 -5.318 7.278 1.00 0.00 O ATOM 331 CB LYS A 21 -1.100 -7.029 5.197 1.00 0.00 C ATOM 332 CG LYS A 21 -2.049 -8.036 5.849 1.00 0.00 C ATOM 333 CD LYS A 21 -1.854 -9.411 5.206 1.00 0.00 C ATOM 334 CE LYS A 21 -2.270 -10.502 6.194 1.00 0.00 C ATOM 335 NZ LYS A 21 -1.493 -11.744 5.918 1.00 0.00 N ATOM 0 H LYS A 21 0.171 -5.042 4.450 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.642 -5.571 4.783 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.943 -7.287 4.150 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.125 -7.065 5.683 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.856 -8.093 6.920 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.082 -7.709 5.728 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.448 -9.485 4.295 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.811 -9.545 4.918 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.092 -10.169 7.216 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.338 -10.701 6.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.775 -12.486 6.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.684 -12.064 4.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.477 -11.549 6.025 1.00 0.00 H new ATOM 349 N LYS A 22 -0.856 -4.969 7.487 1.00 0.00 N ATOM 350 CA LYS A 22 -1.003 -4.635 8.925 1.00 0.00 C ATOM 351 C LYS A 22 -1.855 -3.380 9.062 1.00 0.00 C ATOM 352 O LYS A 22 -2.850 -3.353 9.759 1.00 0.00 O ATOM 353 CB LYS A 22 0.375 -4.361 9.519 1.00 0.00 C ATOM 354 CG LYS A 22 0.937 -5.646 10.130 1.00 0.00 C ATOM 355 CD LYS A 22 1.864 -6.329 9.123 1.00 0.00 C ATOM 356 CE LYS A 22 2.114 -7.775 9.557 1.00 0.00 C ATOM 357 NZ LYS A 22 2.363 -7.815 11.026 1.00 0.00 N ATOM 0 H LYS A 22 0.098 -4.928 7.127 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.476 -5.466 9.448 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.048 -3.990 8.746 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.306 -3.585 10.281 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.483 -5.417 11.045 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.123 -6.317 10.404 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.417 -6.309 8.129 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.809 -5.789 9.058 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.254 -8.396 9.306 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.970 -8.184 9.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.914 -8.665 11.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.894 -6.968 11.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.454 -7.840 11.532 1.00 0.00 H new ATOM 371 N GLU A 23 -1.458 -2.340 8.393 1.00 0.00 N ATOM 372 CA GLU A 23 -2.203 -1.066 8.450 1.00 0.00 C ATOM 373 C GLU A 23 -3.614 -1.291 7.918 1.00 0.00 C ATOM 374 O GLU A 23 -4.593 -1.185 8.629 1.00 0.00 O ATOM 375 CB GLU A 23 -1.472 -0.059 7.569 1.00 0.00 C ATOM 376 CG GLU A 23 -0.138 0.305 8.224 1.00 0.00 C ATOM 377 CD GLU A 23 -0.372 1.334 9.332 1.00 0.00 C ATOM 378 OE1 GLU A 23 -1.402 1.253 9.981 1.00 0.00 O ATOM 379 OE2 GLU A 23 0.483 2.186 9.512 1.00 0.00 O ATOM 0 H GLU A 23 -0.630 -2.323 7.797 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.265 -0.695 9.473 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.302 -0.480 6.578 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.081 0.835 7.435 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.331 -0.588 8.637 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.546 0.709 7.478 1.00 0.00 H new ATOM 386 N LEU A 24 -3.709 -1.614 6.665 1.00 0.00 N ATOM 387 CA LEU A 24 -5.027 -1.872 6.039 1.00 0.00 C ATOM 388 C LEU A 24 -5.714 -3.035 6.752 1.00 0.00 C ATOM 389 O LEU A 24 -6.885 -3.291 6.549 1.00 0.00 O ATOM 390 CB LEU A 24 -4.799 -2.258 4.579 1.00 0.00 C ATOM 391 CG LEU A 24 -4.099 -1.117 3.845 1.00 0.00 C ATOM 392 CD1 LEU A 24 -3.117 -1.705 2.830 1.00 0.00 C ATOM 393 CD2 LEU A 24 -5.138 -0.263 3.116 1.00 0.00 C ATOM 0 H LEU A 24 -2.912 -1.712 6.036 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.651 -0.981 6.110 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.195 -3.163 4.523 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.752 -2.481 4.099 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.561 -0.495 4.560 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.613 -0.896 2.301 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.378 -2.315 3.350 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.660 -2.323 2.115 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.637 0.551 2.592 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.676 -0.880 2.397 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.842 0.149 3.839 1.00 0.00 H new ATOM 405 N ALA A 25 -4.998 -3.759 7.571 1.00 0.00 N ATOM 406 CA ALA A 25 -5.621 -4.911 8.264 1.00 0.00 C ATOM 407 C ALA A 25 -6.276 -5.810 7.217 1.00 0.00 C ATOM 408 O ALA A 25 -7.412 -6.220 7.350 1.00 0.00 O ATOM 409 CB ALA A 25 -6.663 -4.390 9.244 1.00 0.00 C ATOM 0 H ALA A 25 -4.014 -3.599 7.786 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.874 -5.484 8.813 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.129 -5.229 9.760 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.183 -3.737 9.973 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.425 -3.830 8.702 1.00 0.00 H new ATOM 415 N LEU A 26 -5.557 -6.111 6.169 1.00 0.00 N ATOM 416 CA LEU A 26 -6.116 -6.978 5.094 1.00 0.00 C ATOM 417 C LEU A 26 -6.375 -8.379 5.653 1.00 0.00 C ATOM 418 O LEU A 26 -5.811 -8.754 6.662 1.00 0.00 O ATOM 419 CB LEU A 26 -5.112 -7.060 3.940 1.00 0.00 C ATOM 420 CG LEU A 26 -4.703 -5.647 3.518 1.00 0.00 C ATOM 421 CD1 LEU A 26 -3.549 -5.722 2.521 1.00 0.00 C ATOM 422 CD2 LEU A 26 -5.896 -4.945 2.865 1.00 0.00 C ATOM 0 H LEU A 26 -4.601 -5.791 6.011 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.054 -6.557 4.731 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.234 -7.628 4.248 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.554 -7.589 3.096 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.385 -5.086 4.396 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.260 -4.714 2.222 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.698 -6.221 2.986 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.864 -6.285 1.642 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.606 -3.938 2.564 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.214 -5.508 1.988 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.719 -4.888 3.577 1.00 0.00 H new ATOM 434 N PRO A 27 -7.223 -9.114 4.980 1.00 0.00 N ATOM 435 CA PRO A 27 -7.573 -10.482 5.396 1.00 0.00 C ATOM 436 C PRO A 27 -6.317 -11.353 5.448 1.00 0.00 C ATOM 437 O PRO A 27 -5.224 -10.900 5.173 1.00 0.00 O ATOM 438 CB PRO A 27 -8.537 -10.987 4.314 1.00 0.00 C ATOM 439 CG PRO A 27 -8.780 -9.823 3.319 1.00 0.00 C ATOM 440 CD PRO A 27 -7.898 -8.645 3.755 1.00 0.00 C ATOM 0 HA PRO A 27 -8.022 -10.514 6.389 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -8.115 -11.849 3.798 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -9.477 -11.311 4.760 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -8.533 -10.130 2.303 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.831 -9.534 3.318 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.176 -8.383 2.981 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.495 -7.754 3.949 1.00 0.00 H new ATOM 448 N GLU A 28 -6.465 -12.600 5.796 1.00 0.00 N ATOM 449 CA GLU A 28 -5.280 -13.497 5.859 1.00 0.00 C ATOM 450 C GLU A 28 -4.927 -13.955 4.446 1.00 0.00 C ATOM 451 O GLU A 28 -3.836 -14.421 4.185 1.00 0.00 O ATOM 452 CB GLU A 28 -5.609 -14.716 6.720 1.00 0.00 C ATOM 453 CG GLU A 28 -5.881 -14.269 8.158 1.00 0.00 C ATOM 454 CD GLU A 28 -4.637 -13.581 8.724 1.00 0.00 C ATOM 455 OE1 GLU A 28 -3.554 -14.110 8.533 1.00 0.00 O ATOM 456 OE2 GLU A 28 -4.787 -12.538 9.337 1.00 0.00 O ATOM 0 H GLU A 28 -7.354 -13.036 6.039 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.436 -12.963 6.296 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.480 -15.233 6.318 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.780 -15.424 6.699 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -6.730 -13.586 8.183 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.145 -15.129 8.773 1.00 0.00 H new ATOM 463 N TYR A 29 -5.845 -13.821 3.529 1.00 0.00 N ATOM 464 CA TYR A 29 -5.567 -14.244 2.130 1.00 0.00 C ATOM 465 C TYR A 29 -5.121 -13.031 1.313 1.00 0.00 C ATOM 466 O TYR A 29 -5.089 -13.071 0.099 1.00 0.00 O ATOM 467 CB TYR A 29 -6.835 -14.839 1.513 1.00 0.00 C ATOM 468 CG TYR A 29 -8.002 -13.915 1.769 1.00 0.00 C ATOM 469 CD1 TYR A 29 -8.240 -12.834 0.911 1.00 0.00 C ATOM 470 CD2 TYR A 29 -8.846 -14.139 2.863 1.00 0.00 C ATOM 471 CE1 TYR A 29 -9.321 -11.978 1.148 1.00 0.00 C ATOM 472 CE2 TYR A 29 -9.928 -13.283 3.100 1.00 0.00 C ATOM 473 CZ TYR A 29 -10.165 -12.202 2.242 1.00 0.00 C ATOM 474 OH TYR A 29 -11.231 -11.357 2.476 1.00 0.00 O ATOM 0 H TYR A 29 -6.776 -13.436 3.689 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.778 -14.996 2.127 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -6.698 -14.981 0.441 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -7.034 -15.821 1.942 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.589 -12.661 0.067 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.662 -14.973 3.525 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -9.504 -11.144 0.487 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -10.579 -13.456 3.944 1.00 0.00 H new ATOM 0 HH TYR A 29 -11.715 -11.655 3.274 1.00 0.00 H new ATOM 484 N TYR A 30 -4.778 -11.951 1.970 1.00 0.00 N ATOM 485 CA TYR A 30 -4.332 -10.734 1.227 1.00 0.00 C ATOM 486 C TYR A 30 -3.419 -11.153 0.074 1.00 0.00 C ATOM 487 O TYR A 30 -2.235 -11.362 0.252 1.00 0.00 O ATOM 488 CB TYR A 30 -3.564 -9.800 2.171 1.00 0.00 C ATOM 489 CG TYR A 30 -3.035 -8.616 1.391 1.00 0.00 C ATOM 490 CD1 TYR A 30 -3.711 -8.176 0.248 1.00 0.00 C ATOM 491 CD2 TYR A 30 -1.868 -7.960 1.809 1.00 0.00 C ATOM 492 CE1 TYR A 30 -3.223 -7.082 -0.477 1.00 0.00 C ATOM 493 CE2 TYR A 30 -1.378 -6.863 1.082 1.00 0.00 C ATOM 494 CZ TYR A 30 -2.057 -6.427 -0.061 1.00 0.00 C ATOM 495 OH TYR A 30 -1.577 -5.349 -0.776 1.00 0.00 O ATOM 0 H TYR A 30 -4.788 -11.860 2.986 1.00 0.00 H new ATOM 0 HA TYR A 30 -5.204 -10.210 0.836 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -4.218 -9.458 2.973 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.740 -10.337 2.640 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.610 -8.680 -0.075 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.345 -8.299 2.691 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.747 -6.743 -1.359 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -0.480 -6.357 1.404 1.00 0.00 H new ATOM 0 HH TYR A 30 -0.761 -5.011 -0.351 1.00 0.00 H new ATOM 505 N GLY A 31 -3.962 -11.283 -1.106 1.00 0.00 N ATOM 506 CA GLY A 31 -3.129 -11.695 -2.272 1.00 0.00 C ATOM 507 C GLY A 31 -1.803 -10.936 -2.243 1.00 0.00 C ATOM 508 O GLY A 31 -0.773 -11.458 -2.616 1.00 0.00 O ATOM 0 H GLY A 31 -4.948 -11.122 -1.313 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.946 -12.769 -2.241 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.658 -11.488 -3.202 1.00 0.00 H new ATOM 512 N GLU A 32 -1.831 -9.706 -1.802 1.00 0.00 N ATOM 513 CA GLU A 32 -0.584 -8.887 -1.738 1.00 0.00 C ATOM 514 C GLU A 32 -0.309 -8.255 -3.109 1.00 0.00 C ATOM 515 O GLU A 32 0.465 -7.332 -3.227 1.00 0.00 O ATOM 516 CB GLU A 32 0.600 -9.770 -1.286 1.00 0.00 C ATOM 517 CG GLU A 32 1.455 -10.209 -2.485 1.00 0.00 C ATOM 518 CD GLU A 32 2.126 -11.546 -2.170 1.00 0.00 C ATOM 519 OE1 GLU A 32 3.005 -11.561 -1.324 1.00 0.00 O ATOM 520 OE2 GLU A 32 1.752 -12.533 -2.782 1.00 0.00 O ATOM 0 H GLU A 32 -2.673 -9.229 -1.480 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.709 -8.086 -1.010 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.218 -9.219 -0.577 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.223 -10.649 -0.764 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.832 -10.303 -3.374 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.210 -9.454 -2.703 1.00 0.00 H new ATOM 527 N ASN A 33 -0.937 -8.741 -4.143 1.00 0.00 N ATOM 528 CA ASN A 33 -0.697 -8.150 -5.495 1.00 0.00 C ATOM 529 C ASN A 33 -1.531 -6.875 -5.653 1.00 0.00 C ATOM 530 O ASN A 33 -2.144 -6.402 -4.718 1.00 0.00 O ATOM 531 CB ASN A 33 -1.070 -9.149 -6.603 1.00 0.00 C ATOM 532 CG ASN A 33 -2.096 -10.163 -6.093 1.00 0.00 C ATOM 533 OD1 ASN A 33 -1.753 -11.084 -5.379 1.00 0.00 O ATOM 534 ND2 ASN A 33 -3.348 -10.034 -6.431 1.00 0.00 N ATOM 0 H ASN A 33 -1.601 -9.515 -4.115 1.00 0.00 H new ATOM 0 HA ASN A 33 0.363 -7.912 -5.585 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.476 -8.613 -7.461 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -0.176 -9.670 -6.946 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -4.039 -10.706 -6.096 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -3.637 -9.261 -7.030 1.00 0.00 H new ATOM 541 N LEU A 34 -1.553 -6.317 -6.832 1.00 0.00 N ATOM 542 CA LEU A 34 -2.343 -5.073 -7.064 1.00 0.00 C ATOM 543 C LEU A 34 -3.818 -5.427 -7.198 1.00 0.00 C ATOM 544 O LEU A 34 -4.688 -4.719 -6.748 1.00 0.00 O ATOM 545 CB LEU A 34 -1.888 -4.430 -8.365 1.00 0.00 C ATOM 546 CG LEU A 34 -0.511 -3.799 -8.175 1.00 0.00 C ATOM 547 CD1 LEU A 34 -0.142 -3.006 -9.429 1.00 0.00 C ATOM 548 CD2 LEU A 34 -0.545 -2.861 -6.968 1.00 0.00 C ATOM 0 H LEU A 34 -1.055 -6.670 -7.649 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.195 -4.390 -6.228 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.849 -5.178 -9.157 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.606 -3.672 -8.677 1.00 0.00 H new ATOM 0 HG LEU A 34 0.231 -4.580 -8.006 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.841 -2.554 -9.297 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.121 -3.675 -10.289 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.882 -2.223 -9.595 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.437 -2.409 -6.830 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.284 -2.078 -7.137 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.813 -3.426 -6.075 1.00 0.00 H new ATOM 560 N ASP A 35 -4.093 -6.515 -7.836 1.00 0.00 N ATOM 561 CA ASP A 35 -5.501 -6.946 -8.027 1.00 0.00 C ATOM 562 C ASP A 35 -6.143 -7.219 -6.668 1.00 0.00 C ATOM 563 O ASP A 35 -7.303 -6.929 -6.445 1.00 0.00 O ATOM 564 CB ASP A 35 -5.503 -8.237 -8.832 1.00 0.00 C ATOM 565 CG ASP A 35 -5.142 -7.938 -10.288 1.00 0.00 C ATOM 566 OD1 ASP A 35 -3.961 -7.855 -10.581 1.00 0.00 O ATOM 567 OD2 ASP A 35 -6.054 -7.797 -11.086 1.00 0.00 O ATOM 0 H ASP A 35 -3.395 -7.138 -8.242 1.00 0.00 H new ATOM 0 HA ASP A 35 -6.059 -6.166 -8.545 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -4.789 -8.942 -8.408 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.485 -8.708 -8.780 1.00 0.00 H new ATOM 572 N ALA A 36 -5.395 -7.777 -5.760 1.00 0.00 N ATOM 573 CA ALA A 36 -5.961 -8.077 -4.412 1.00 0.00 C ATOM 574 C ALA A 36 -5.945 -6.809 -3.583 1.00 0.00 C ATOM 575 O ALA A 36 -6.957 -6.361 -3.087 1.00 0.00 O ATOM 576 CB ALA A 36 -5.117 -9.137 -3.712 1.00 0.00 C ATOM 0 H ALA A 36 -4.418 -8.039 -5.890 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.980 -8.447 -4.523 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.539 -9.348 -2.729 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.111 -10.050 -4.308 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.096 -8.772 -3.597 1.00 0.00 H new ATOM 582 N LEU A 37 -4.794 -6.221 -3.449 1.00 0.00 N ATOM 583 CA LEU A 37 -4.680 -4.959 -2.675 1.00 0.00 C ATOM 584 C LEU A 37 -5.848 -4.065 -3.072 1.00 0.00 C ATOM 585 O LEU A 37 -6.613 -3.588 -2.255 1.00 0.00 O ATOM 586 CB LEU A 37 -3.364 -4.278 -3.050 1.00 0.00 C ATOM 587 CG LEU A 37 -3.430 -2.794 -2.688 1.00 0.00 C ATOM 588 CD1 LEU A 37 -3.576 -2.643 -1.173 1.00 0.00 C ATOM 589 CD2 LEU A 37 -2.150 -2.096 -3.151 1.00 0.00 C ATOM 0 H LEU A 37 -3.919 -6.564 -3.846 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.698 -5.150 -1.602 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.535 -4.754 -2.526 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.175 -4.394 -4.117 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.289 -2.339 -3.182 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.623 -1.585 -0.916 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.490 -3.137 -0.845 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.719 -3.099 -0.678 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.198 -1.038 -2.892 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.290 -2.551 -2.660 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.049 -2.201 -4.231 1.00 0.00 H new ATOM 601 N TRP A 38 -5.982 -3.858 -4.341 1.00 0.00 N ATOM 602 CA TRP A 38 -7.080 -3.027 -4.860 1.00 0.00 C ATOM 603 C TRP A 38 -8.393 -3.624 -4.414 1.00 0.00 C ATOM 604 O TRP A 38 -9.201 -2.984 -3.775 1.00 0.00 O ATOM 605 CB TRP A 38 -7.045 -3.039 -6.383 1.00 0.00 C ATOM 606 CG TRP A 38 -8.164 -2.205 -6.889 1.00 0.00 C ATOM 607 CD1 TRP A 38 -9.404 -2.654 -7.120 1.00 0.00 C ATOM 608 CD2 TRP A 38 -8.169 -0.794 -7.205 1.00 0.00 C ATOM 609 NE1 TRP A 38 -10.185 -1.603 -7.575 1.00 0.00 N ATOM 610 CE2 TRP A 38 -9.459 -0.430 -7.643 1.00 0.00 C ATOM 611 CE3 TRP A 38 -7.183 0.190 -7.155 1.00 0.00 C ATOM 612 CZ2 TRP A 38 -9.753 0.881 -8.021 1.00 0.00 C ATOM 613 CZ3 TRP A 38 -7.462 1.498 -7.523 1.00 0.00 C ATOM 614 CH2 TRP A 38 -8.748 1.854 -7.959 1.00 0.00 C ATOM 0 H TRP A 38 -5.361 -4.240 -5.055 1.00 0.00 H new ATOM 0 HA TRP A 38 -6.974 -2.007 -4.490 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.092 -2.652 -6.743 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -7.135 -4.059 -6.755 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -9.741 -3.670 -6.975 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -11.170 -1.685 -7.827 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -6.188 -0.070 -6.825 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -10.745 1.142 -8.358 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -6.685 2.247 -7.474 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -8.961 2.873 -8.245 1.00 0.00 H new ATOM 625 N ASP A 39 -8.604 -4.856 -4.753 1.00 0.00 N ATOM 626 CA ASP A 39 -9.864 -5.529 -4.358 1.00 0.00 C ATOM 627 C ASP A 39 -10.174 -5.170 -2.906 1.00 0.00 C ATOM 628 O ASP A 39 -11.314 -5.151 -2.488 1.00 0.00 O ATOM 629 CB ASP A 39 -9.699 -7.040 -4.491 1.00 0.00 C ATOM 630 CG ASP A 39 -10.232 -7.496 -5.851 1.00 0.00 C ATOM 631 OD1 ASP A 39 -9.967 -6.815 -6.828 1.00 0.00 O ATOM 632 OD2 ASP A 39 -10.896 -8.518 -5.892 1.00 0.00 O ATOM 0 H ASP A 39 -7.955 -5.431 -5.290 1.00 0.00 H new ATOM 0 HA ASP A 39 -10.680 -5.204 -5.003 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.648 -7.312 -4.391 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -10.237 -7.547 -3.690 1.00 0.00 H new ATOM 637 N CYS A 40 -9.160 -4.874 -2.138 1.00 0.00 N ATOM 638 CA CYS A 40 -9.392 -4.503 -0.716 1.00 0.00 C ATOM 639 C CYS A 40 -9.800 -3.028 -0.630 1.00 0.00 C ATOM 640 O CYS A 40 -10.773 -2.681 0.010 1.00 0.00 O ATOM 641 CB CYS A 40 -8.112 -4.733 0.091 1.00 0.00 C ATOM 642 SG CYS A 40 -8.092 -6.430 0.718 1.00 0.00 S ATOM 0 H CYS A 40 -8.184 -4.874 -2.435 1.00 0.00 H new ATOM 0 HA CYS A 40 -10.190 -5.122 -0.306 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -7.238 -4.555 -0.535 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -8.060 -4.027 0.920 1.00 0.00 H new ATOM 0 HG CYS A 40 -8.941 -6.541 1.696 1.00 0.00 H new ATOM 648 N LEU A 41 -9.065 -2.153 -1.265 1.00 0.00 N ATOM 649 CA LEU A 41 -9.405 -0.714 -1.211 1.00 0.00 C ATOM 650 C LEU A 41 -10.833 -0.490 -1.714 1.00 0.00 C ATOM 651 O LEU A 41 -11.651 0.117 -1.052 1.00 0.00 O ATOM 652 CB LEU A 41 -8.431 0.050 -2.105 1.00 0.00 C ATOM 653 CG LEU A 41 -7.010 -0.478 -1.890 1.00 0.00 C ATOM 654 CD1 LEU A 41 -6.020 0.449 -2.579 1.00 0.00 C ATOM 655 CD2 LEU A 41 -6.705 -0.535 -0.392 1.00 0.00 C ATOM 0 H LEU A 41 -8.240 -2.382 -1.820 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.334 -0.361 -0.182 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.717 -0.063 -3.151 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.472 1.115 -1.877 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.925 -1.480 -2.311 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.007 0.076 -2.428 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.238 0.486 -3.646 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.105 1.450 -2.157 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.693 -0.911 -0.241 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.788 0.465 0.035 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.416 -1.199 0.099 1.00 0.00 H new ATOM 667 N THR A 42 -11.128 -0.958 -2.894 1.00 0.00 N ATOM 668 CA THR A 42 -12.480 -0.763 -3.469 1.00 0.00 C ATOM 669 C THR A 42 -13.529 -1.549 -2.676 1.00 0.00 C ATOM 670 O THR A 42 -14.713 -1.420 -2.918 1.00 0.00 O ATOM 671 CB THR A 42 -12.480 -1.235 -4.924 1.00 0.00 C ATOM 672 OG1 THR A 42 -11.809 -2.485 -5.015 1.00 0.00 O ATOM 673 CG2 THR A 42 -11.760 -0.201 -5.792 1.00 0.00 C ATOM 0 H THR A 42 -10.479 -1.473 -3.489 1.00 0.00 H new ATOM 0 HA THR A 42 -12.733 0.296 -3.418 1.00 0.00 H new ATOM 0 HB THR A 42 -13.506 -1.349 -5.272 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.128 -2.440 -5.719 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.758 -0.535 -6.830 1.00 0.00 H new ATOM 0 HG22 THR A 42 -12.275 0.757 -5.720 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.733 -0.087 -5.446 1.00 0.00 H new ATOM 681 N GLY A 43 -13.126 -2.365 -1.737 1.00 0.00 N ATOM 682 CA GLY A 43 -14.148 -3.136 -0.967 1.00 0.00 C ATOM 683 C GLY A 43 -13.527 -3.837 0.248 1.00 0.00 C ATOM 684 O GLY A 43 -13.553 -5.047 0.351 1.00 0.00 O ATOM 0 H GLY A 43 -12.155 -2.530 -1.473 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -14.939 -2.463 -0.635 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -14.612 -3.877 -1.618 1.00 0.00 H new ATOM 688 N TRP A 44 -12.990 -3.096 1.180 1.00 0.00 N ATOM 689 CA TRP A 44 -12.401 -3.737 2.388 1.00 0.00 C ATOM 690 C TRP A 44 -11.791 -2.672 3.299 1.00 0.00 C ATOM 691 O TRP A 44 -12.260 -2.434 4.394 1.00 0.00 O ATOM 692 CB TRP A 44 -11.316 -4.724 1.968 1.00 0.00 C ATOM 693 CG TRP A 44 -10.721 -5.345 3.191 1.00 0.00 C ATOM 694 CD1 TRP A 44 -9.624 -4.886 3.835 1.00 0.00 C ATOM 695 CD2 TRP A 44 -11.169 -6.518 3.930 1.00 0.00 C ATOM 696 NE1 TRP A 44 -9.369 -5.703 4.921 1.00 0.00 N ATOM 697 CE2 TRP A 44 -10.293 -6.723 5.023 1.00 0.00 C ATOM 698 CE3 TRP A 44 -12.239 -7.416 3.761 1.00 0.00 C ATOM 699 CZ2 TRP A 44 -10.472 -7.780 5.915 1.00 0.00 C ATOM 700 CZ3 TRP A 44 -12.422 -8.481 4.659 1.00 0.00 C ATOM 701 CH2 TRP A 44 -11.540 -8.663 5.733 1.00 0.00 C ATOM 0 H TRP A 44 -12.934 -2.078 1.156 1.00 0.00 H new ATOM 0 HA TRP A 44 -13.187 -4.265 2.928 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -11.738 -5.494 1.322 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -10.544 -4.213 1.392 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -9.042 -4.023 3.548 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -8.592 -5.568 5.568 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -12.924 -7.286 2.936 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -9.790 -7.915 6.741 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -13.247 -9.164 4.521 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -11.685 -9.484 6.419 1.00 0.00 H new ATOM 712 N VAL A 45 -10.743 -2.037 2.859 1.00 0.00 N ATOM 713 CA VAL A 45 -10.093 -0.997 3.697 1.00 0.00 C ATOM 714 C VAL A 45 -11.118 0.066 4.094 1.00 0.00 C ATOM 715 O VAL A 45 -11.966 0.448 3.311 1.00 0.00 O ATOM 716 CB VAL A 45 -8.959 -0.344 2.907 1.00 0.00 C ATOM 717 CG1 VAL A 45 -8.147 0.563 3.833 1.00 0.00 C ATOM 718 CG2 VAL A 45 -8.048 -1.432 2.333 1.00 0.00 C ATOM 0 H VAL A 45 -10.307 -2.195 1.950 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.691 -1.460 4.598 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.377 0.249 2.094 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.339 1.028 3.269 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.795 1.337 4.244 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.728 -0.029 4.647 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.238 -0.969 1.769 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.630 -2.024 3.147 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.626 -2.079 1.673 1.00 0.00 H new ATOM 728 N GLU A 46 -11.045 0.553 5.303 1.00 0.00 N ATOM 729 CA GLU A 46 -12.014 1.597 5.743 1.00 0.00 C ATOM 730 C GLU A 46 -11.420 2.981 5.476 1.00 0.00 C ATOM 731 O GLU A 46 -10.283 3.256 5.805 1.00 0.00 O ATOM 732 CB GLU A 46 -12.313 1.444 7.237 1.00 0.00 C ATOM 733 CG GLU A 46 -11.041 1.034 7.983 1.00 0.00 C ATOM 734 CD GLU A 46 -11.208 1.327 9.475 1.00 0.00 C ATOM 735 OE1 GLU A 46 -11.451 2.475 9.809 1.00 0.00 O ATOM 736 OE2 GLU A 46 -11.090 0.399 10.258 1.00 0.00 O ATOM 0 H GLU A 46 -10.358 0.274 6.003 1.00 0.00 H new ATOM 0 HA GLU A 46 -12.943 1.482 5.185 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -12.694 2.383 7.639 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -13.090 0.695 7.386 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.843 -0.027 7.830 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.183 1.579 7.588 1.00 0.00 H new ATOM 743 N TYR A 47 -12.183 3.849 4.874 1.00 0.00 N ATOM 744 CA TYR A 47 -11.678 5.217 4.565 1.00 0.00 C ATOM 745 C TYR A 47 -12.524 6.243 5.334 1.00 0.00 C ATOM 746 O TYR A 47 -13.539 5.883 5.896 1.00 0.00 O ATOM 747 CB TYR A 47 -11.796 5.434 3.051 1.00 0.00 C ATOM 748 CG TYR A 47 -10.784 4.567 2.325 1.00 0.00 C ATOM 749 CD1 TYR A 47 -9.702 3.998 3.013 1.00 0.00 C ATOM 750 CD2 TYR A 47 -10.930 4.331 0.955 1.00 0.00 C ATOM 751 CE1 TYR A 47 -8.779 3.199 2.332 1.00 0.00 C ATOM 752 CE2 TYR A 47 -10.004 3.535 0.278 1.00 0.00 C ATOM 753 CZ TYR A 47 -8.928 2.969 0.965 1.00 0.00 C ATOM 754 OH TYR A 47 -8.017 2.178 0.295 1.00 0.00 O ATOM 0 H TYR A 47 -13.143 3.669 4.580 1.00 0.00 H new ATOM 0 HA TYR A 47 -10.637 5.334 4.866 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -12.804 5.189 2.717 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -11.627 6.484 2.811 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -9.582 4.178 4.071 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -11.761 4.765 0.419 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.949 2.759 2.866 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -10.120 3.356 -0.781 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.113 2.371 0.622 1.00 0.00 H new ATOM 764 N PRO A 48 -12.093 7.491 5.364 1.00 0.00 N ATOM 765 CA PRO A 48 -10.859 7.974 4.692 1.00 0.00 C ATOM 766 C PRO A 48 -9.606 7.275 5.221 1.00 0.00 C ATOM 767 O PRO A 48 -9.465 7.032 6.403 1.00 0.00 O ATOM 768 CB PRO A 48 -10.796 9.472 5.022 1.00 0.00 C ATOM 769 CG PRO A 48 -12.026 9.819 5.894 1.00 0.00 C ATOM 770 CD PRO A 48 -12.837 8.531 6.095 1.00 0.00 C ATOM 0 HA PRO A 48 -10.891 7.770 3.622 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -9.873 9.707 5.553 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -10.797 10.065 4.107 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -11.711 10.226 6.855 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -12.635 10.582 5.409 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.926 8.282 7.152 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -13.850 8.638 5.706 1.00 0.00 H new ATOM 778 N LEU A 49 -8.691 6.958 4.344 1.00 0.00 N ATOM 779 CA LEU A 49 -7.437 6.282 4.777 1.00 0.00 C ATOM 780 C LEU A 49 -6.250 7.197 4.490 1.00 0.00 C ATOM 781 O LEU A 49 -6.279 8.007 3.588 1.00 0.00 O ATOM 782 CB LEU A 49 -7.266 4.973 3.982 1.00 0.00 C ATOM 783 CG LEU A 49 -5.783 4.586 3.865 1.00 0.00 C ATOM 784 CD1 LEU A 49 -5.265 4.104 5.221 1.00 0.00 C ATOM 785 CD2 LEU A 49 -5.623 3.471 2.828 1.00 0.00 C ATOM 0 H LEU A 49 -8.760 7.140 3.343 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.487 6.063 5.844 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.817 4.171 4.473 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.694 5.090 2.986 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.209 5.458 3.551 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.213 3.831 5.133 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.372 4.902 5.956 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.840 3.235 5.542 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.571 3.198 2.747 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.201 2.600 3.138 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.983 3.820 1.860 1.00 0.00 H new ATOM 797 N VAL A 50 -5.188 7.029 5.217 1.00 0.00 N ATOM 798 CA VAL A 50 -3.975 7.839 4.952 1.00 0.00 C ATOM 799 C VAL A 50 -2.881 6.874 4.493 1.00 0.00 C ATOM 800 O VAL A 50 -2.717 5.809 5.044 1.00 0.00 O ATOM 801 CB VAL A 50 -3.545 8.596 6.234 1.00 0.00 C ATOM 802 CG1 VAL A 50 -2.125 8.205 6.671 1.00 0.00 C ATOM 803 CG2 VAL A 50 -3.562 10.099 5.962 1.00 0.00 C ATOM 0 H VAL A 50 -5.107 6.364 5.986 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.165 8.589 4.184 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.244 8.331 7.027 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.857 8.755 7.573 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.089 7.135 6.875 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.420 8.447 5.876 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.260 10.635 6.862 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.870 10.330 5.152 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.568 10.406 5.677 1.00 0.00 H new ATOM 813 N LEU A 51 -2.112 7.234 3.518 1.00 0.00 N ATOM 814 CA LEU A 51 -1.022 6.326 3.091 1.00 0.00 C ATOM 815 C LEU A 51 0.284 7.081 3.255 1.00 0.00 C ATOM 816 O LEU A 51 0.784 7.696 2.333 1.00 0.00 O ATOM 817 CB LEU A 51 -1.195 5.878 1.637 1.00 0.00 C ATOM 818 CG LEU A 51 -0.061 4.912 1.287 1.00 0.00 C ATOM 819 CD1 LEU A 51 -0.243 3.614 2.071 1.00 0.00 C ATOM 820 CD2 LEU A 51 -0.084 4.589 -0.204 1.00 0.00 C ATOM 0 H LEU A 51 -2.187 8.109 3.000 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.035 5.423 3.702 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.161 5.392 1.503 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.177 6.740 0.970 1.00 0.00 H new ATOM 0 HG LEU A 51 0.890 5.379 1.542 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.563 2.924 1.824 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.222 3.828 3.140 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.200 3.162 1.810 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.728 3.901 -0.440 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.037 4.127 -0.462 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.041 5.508 -0.777 1.00 0.00 H new ATOM 832 N GLU A 52 0.827 7.053 4.438 1.00 0.00 N ATOM 833 CA GLU A 52 2.093 7.778 4.693 1.00 0.00 C ATOM 834 C GLU A 52 3.248 6.950 4.140 1.00 0.00 C ATOM 835 O GLU A 52 3.939 6.249 4.855 1.00 0.00 O ATOM 836 CB GLU A 52 2.250 7.993 6.199 1.00 0.00 C ATOM 837 CG GLU A 52 3.686 8.414 6.513 1.00 0.00 C ATOM 838 CD GLU A 52 3.742 9.033 7.911 1.00 0.00 C ATOM 839 OE1 GLU A 52 2.892 9.857 8.207 1.00 0.00 O ATOM 840 OE2 GLU A 52 4.634 8.673 8.661 1.00 0.00 O ATOM 0 H GLU A 52 0.444 6.555 5.242 1.00 0.00 H new ATOM 0 HA GLU A 52 2.087 8.751 4.202 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.553 8.758 6.541 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.004 7.076 6.735 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.349 7.551 6.459 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.036 9.132 5.771 1.00 0.00 H new ATOM 847 N TRP A 53 3.445 7.026 2.855 1.00 0.00 N ATOM 848 CA TRP A 53 4.535 6.258 2.207 1.00 0.00 C ATOM 849 C TRP A 53 5.867 6.966 2.459 1.00 0.00 C ATOM 850 O TRP A 53 6.101 8.055 1.971 1.00 0.00 O ATOM 851 CB TRP A 53 4.265 6.190 0.704 1.00 0.00 C ATOM 852 CG TRP A 53 4.944 4.992 0.135 1.00 0.00 C ATOM 853 CD1 TRP A 53 6.266 4.729 0.246 1.00 0.00 C ATOM 854 CD2 TRP A 53 4.367 3.892 -0.628 1.00 0.00 C ATOM 855 NE1 TRP A 53 6.540 3.540 -0.400 1.00 0.00 N ATOM 856 CE2 TRP A 53 5.404 2.987 -0.955 1.00 0.00 C ATOM 857 CE3 TRP A 53 3.060 3.593 -1.065 1.00 0.00 C ATOM 858 CZ2 TRP A 53 5.159 1.830 -1.687 1.00 0.00 C ATOM 859 CZ3 TRP A 53 2.812 2.423 -1.807 1.00 0.00 C ATOM 860 CH2 TRP A 53 3.862 1.546 -2.116 1.00 0.00 C ATOM 0 H TRP A 53 2.887 7.597 2.220 1.00 0.00 H new ATOM 0 HA TRP A 53 4.579 5.249 2.618 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.192 6.137 0.518 1.00 0.00 H new ATOM 0 HB3 TRP A 53 4.629 7.094 0.216 1.00 0.00 H new ATOM 0 HD1 TRP A 53 6.989 5.348 0.756 1.00 0.00 H new ATOM 0 HE1 TRP A 53 7.468 3.122 -0.460 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.247 4.264 -0.830 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 5.969 1.155 -1.922 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.809 2.200 -2.140 1.00 0.00 H new ATOM 0 HH2 TRP A 53 3.666 0.650 -2.686 1.00 0.00 H new ATOM 871 N ARG A 54 6.741 6.366 3.219 1.00 0.00 N ATOM 872 CA ARG A 54 8.049 7.020 3.498 1.00 0.00 C ATOM 873 C ARG A 54 9.069 6.604 2.430 1.00 0.00 C ATOM 874 O ARG A 54 8.976 7.010 1.289 1.00 0.00 O ATOM 875 CB ARG A 54 8.536 6.606 4.889 1.00 0.00 C ATOM 876 CG ARG A 54 7.515 7.048 5.939 1.00 0.00 C ATOM 877 CD ARG A 54 7.881 8.441 6.453 1.00 0.00 C ATOM 878 NE ARG A 54 8.462 8.329 7.820 1.00 0.00 N ATOM 879 CZ ARG A 54 9.118 9.333 8.334 1.00 0.00 C ATOM 880 NH1 ARG A 54 10.373 9.519 8.027 1.00 0.00 N ATOM 881 NH2 ARG A 54 8.519 10.152 9.156 1.00 0.00 N ATOM 0 H ARG A 54 6.606 5.455 3.657 1.00 0.00 H new ATOM 0 HA ARG A 54 7.934 8.104 3.470 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.673 5.525 4.931 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.506 7.058 5.096 1.00 0.00 H new ATOM 0 HG2 ARG A 54 6.515 7.060 5.506 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.497 6.337 6.765 1.00 0.00 H new ATOM 0 HD2 ARG A 54 8.597 8.912 5.780 1.00 0.00 H new ATOM 0 HD3 ARG A 54 6.996 9.077 6.473 1.00 0.00 H new ATOM 0 HE ARG A 54 8.347 7.468 8.354 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.841 8.879 7.385 1.00 0.00 H new ATOM 0 HH12 ARG A 54 10.885 10.304 8.429 1.00 0.00 H new ATOM 0 HH21 ARG A 54 7.538 10.007 9.396 1.00 0.00 H new ATOM 0 HH22 ARG A 54 9.032 10.937 9.558 1.00 0.00 H new ATOM 895 N GLN A 55 10.042 5.802 2.779 1.00 0.00 N ATOM 896 CA GLN A 55 11.049 5.379 1.768 1.00 0.00 C ATOM 897 C GLN A 55 10.335 4.739 0.576 1.00 0.00 C ATOM 898 O GLN A 55 9.724 3.696 0.693 1.00 0.00 O ATOM 899 CB GLN A 55 12.006 4.365 2.396 1.00 0.00 C ATOM 900 CG GLN A 55 13.331 5.053 2.734 1.00 0.00 C ATOM 901 CD GLN A 55 13.119 6.026 3.895 1.00 0.00 C ATOM 902 OE1 GLN A 55 12.076 6.640 4.006 1.00 0.00 O ATOM 903 NE2 GLN A 55 14.072 6.195 4.771 1.00 0.00 N ATOM 0 H GLN A 55 10.180 5.425 3.717 1.00 0.00 H new ATOM 0 HA GLN A 55 11.613 6.248 1.429 1.00 0.00 H new ATOM 0 HB2 GLN A 55 11.564 3.942 3.298 1.00 0.00 H new ATOM 0 HB3 GLN A 55 12.179 3.538 1.708 1.00 0.00 H new ATOM 0 HG2 GLN A 55 14.081 4.309 3.001 1.00 0.00 H new ATOM 0 HG3 GLN A 55 13.708 5.587 1.862 1.00 0.00 H new ATOM 0 HE21 GLN A 55 14.947 5.680 4.678 1.00 0.00 H new ATOM 0 HE22 GLN A 55 13.941 6.842 5.548 1.00 0.00 H new ATOM 912 N PHE A 56 10.407 5.356 -0.572 1.00 0.00 N ATOM 913 CA PHE A 56 9.731 4.783 -1.770 1.00 0.00 C ATOM 914 C PHE A 56 10.769 4.099 -2.663 1.00 0.00 C ATOM 915 O PHE A 56 10.658 2.931 -2.976 1.00 0.00 O ATOM 916 CB PHE A 56 9.041 5.903 -2.550 1.00 0.00 C ATOM 917 CG PHE A 56 7.949 5.318 -3.416 1.00 0.00 C ATOM 918 CD1 PHE A 56 8.273 4.722 -4.640 1.00 0.00 C ATOM 919 CD2 PHE A 56 6.614 5.373 -2.995 1.00 0.00 C ATOM 920 CE1 PHE A 56 7.263 4.181 -5.445 1.00 0.00 C ATOM 921 CE2 PHE A 56 5.604 4.832 -3.800 1.00 0.00 C ATOM 922 CZ PHE A 56 5.929 4.236 -5.025 1.00 0.00 C ATOM 0 H PHE A 56 10.905 6.232 -0.732 1.00 0.00 H new ATOM 0 HA PHE A 56 8.988 4.051 -1.454 1.00 0.00 H new ATOM 0 HB2 PHE A 56 8.620 6.634 -1.860 1.00 0.00 H new ATOM 0 HB3 PHE A 56 9.767 6.430 -3.169 1.00 0.00 H new ATOM 0 HD1 PHE A 56 9.302 4.679 -4.964 1.00 0.00 H new ATOM 0 HD2 PHE A 56 6.364 5.832 -2.050 1.00 0.00 H new ATOM 0 HE1 PHE A 56 7.513 3.721 -6.390 1.00 0.00 H new ATOM 0 HE2 PHE A 56 4.575 4.874 -3.476 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.150 3.819 -5.646 1.00 0.00 H new ATOM 932 N GLU A 57 11.779 4.817 -3.075 1.00 0.00 N ATOM 933 CA GLU A 57 12.821 4.203 -3.946 1.00 0.00 C ATOM 934 C GLU A 57 13.449 3.014 -3.219 1.00 0.00 C ATOM 935 O GLU A 57 13.736 1.992 -3.811 1.00 0.00 O ATOM 936 CB GLU A 57 13.903 5.237 -4.258 1.00 0.00 C ATOM 937 CG GLU A 57 13.321 6.335 -5.150 1.00 0.00 C ATOM 938 CD GLU A 57 13.808 6.138 -6.586 1.00 0.00 C ATOM 939 OE1 GLU A 57 14.352 5.082 -6.867 1.00 0.00 O ATOM 940 OE2 GLU A 57 13.630 7.046 -7.381 1.00 0.00 O ATOM 0 H GLU A 57 11.927 5.800 -2.846 1.00 0.00 H new ATOM 0 HA GLU A 57 12.365 3.865 -4.877 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.284 5.670 -3.333 1.00 0.00 H new ATOM 0 HB3 GLU A 57 14.745 4.758 -4.757 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.232 6.306 -5.117 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.625 7.315 -4.783 1.00 0.00 H new ATOM 947 N GLN A 58 13.667 3.140 -1.939 1.00 0.00 N ATOM 948 CA GLN A 58 14.272 2.022 -1.174 1.00 0.00 C ATOM 949 C GLN A 58 13.328 0.821 -1.213 1.00 0.00 C ATOM 950 O GLN A 58 13.753 -0.314 -1.299 1.00 0.00 O ATOM 951 CB GLN A 58 14.492 2.453 0.278 1.00 0.00 C ATOM 952 CG GLN A 58 15.575 3.531 0.334 1.00 0.00 C ATOM 953 CD GLN A 58 16.809 2.979 1.049 1.00 0.00 C ATOM 954 OE1 GLN A 58 16.906 1.791 1.288 1.00 0.00 O ATOM 955 NE2 GLN A 58 17.762 3.795 1.404 1.00 0.00 N ATOM 0 H GLN A 58 13.450 3.973 -1.391 1.00 0.00 H new ATOM 0 HA GLN A 58 15.230 1.751 -1.617 1.00 0.00 H new ATOM 0 HB2 GLN A 58 13.562 2.835 0.700 1.00 0.00 H new ATOM 0 HB3 GLN A 58 14.787 1.595 0.882 1.00 0.00 H new ATOM 0 HG2 GLN A 58 15.838 3.849 -0.675 1.00 0.00 H new ATOM 0 HG3 GLN A 58 15.201 4.410 0.858 1.00 0.00 H new ATOM 0 HE21 GLN A 58 17.681 4.792 1.204 1.00 0.00 H new ATOM 0 HE22 GLN A 58 18.589 3.437 1.882 1.00 0.00 H new ATOM 964 N SER A 59 12.047 1.064 -1.152 1.00 0.00 N ATOM 965 CA SER A 59 11.075 -0.063 -1.189 1.00 0.00 C ATOM 966 C SER A 59 10.662 -0.329 -2.641 1.00 0.00 C ATOM 967 O SER A 59 9.801 -1.143 -2.912 1.00 0.00 O ATOM 968 CB SER A 59 9.838 0.299 -0.364 1.00 0.00 C ATOM 969 OG SER A 59 8.669 -0.137 -1.047 1.00 0.00 O ATOM 0 H SER A 59 11.633 1.993 -1.078 1.00 0.00 H new ATOM 0 HA SER A 59 11.538 -0.957 -0.771 1.00 0.00 H new ATOM 0 HB2 SER A 59 9.894 -0.169 0.619 1.00 0.00 H new ATOM 0 HB3 SER A 59 9.798 1.376 -0.203 1.00 0.00 H new ATOM 0 HG SER A 59 8.830 -1.020 -1.441 1.00 0.00 H new ATOM 975 N LYS A 60 11.270 0.351 -3.577 1.00 0.00 N ATOM 976 CA LYS A 60 10.913 0.136 -5.008 1.00 0.00 C ATOM 977 C LYS A 60 12.044 -0.620 -5.709 1.00 0.00 C ATOM 978 O LYS A 60 11.870 -1.163 -6.782 1.00 0.00 O ATOM 979 CB LYS A 60 10.711 1.491 -5.689 1.00 0.00 C ATOM 980 CG LYS A 60 9.618 1.371 -6.752 1.00 0.00 C ATOM 981 CD LYS A 60 9.482 2.701 -7.496 1.00 0.00 C ATOM 982 CE LYS A 60 10.674 2.884 -8.438 1.00 0.00 C ATOM 983 NZ LYS A 60 11.083 4.317 -8.448 1.00 0.00 N ATOM 0 H LYS A 60 11.998 1.046 -3.411 1.00 0.00 H new ATOM 0 HA LYS A 60 9.994 -0.446 -5.070 1.00 0.00 H new ATOM 0 HB2 LYS A 60 10.434 2.243 -4.950 1.00 0.00 H new ATOM 0 HB3 LYS A 60 11.643 1.822 -6.147 1.00 0.00 H new ATOM 0 HG2 LYS A 60 9.864 0.573 -7.453 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.670 1.104 -6.285 1.00 0.00 H new ATOM 0 HD2 LYS A 60 8.551 2.719 -8.063 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.438 3.525 -6.784 1.00 0.00 H new ATOM 0 HE2 LYS A 60 11.506 2.259 -8.114 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.408 2.564 -9.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 11.893 4.442 -9.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.289 4.902 -8.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 11.353 4.608 -7.487 1.00 0.00 H new ATOM 997 N GLN A 61 13.203 -0.660 -5.110 1.00 0.00 N ATOM 998 CA GLN A 61 14.340 -1.369 -5.721 1.00 0.00 C ATOM 999 C GLN A 61 14.245 -2.845 -5.343 1.00 0.00 C ATOM 1000 O GLN A 61 14.131 -3.716 -6.182 1.00 0.00 O ATOM 1001 CB GLN A 61 15.627 -0.736 -5.164 1.00 0.00 C ATOM 1002 CG GLN A 61 16.574 -1.796 -4.606 1.00 0.00 C ATOM 1003 CD GLN A 61 17.994 -1.231 -4.529 1.00 0.00 C ATOM 1004 OE1 GLN A 61 18.382 -0.421 -5.347 1.00 0.00 O ATOM 1005 NE2 GLN A 61 18.790 -1.626 -3.573 1.00 0.00 N ATOM 0 H GLN A 61 13.403 -0.222 -4.211 1.00 0.00 H new ATOM 0 HA GLN A 61 14.338 -1.290 -6.808 1.00 0.00 H new ATOM 0 HB2 GLN A 61 16.130 -0.176 -5.953 1.00 0.00 H new ATOM 0 HB3 GLN A 61 15.373 -0.023 -4.379 1.00 0.00 H new ATOM 0 HG2 GLN A 61 16.243 -2.108 -3.616 1.00 0.00 H new ATOM 0 HG3 GLN A 61 16.559 -2.682 -5.241 1.00 0.00 H new ATOM 0 HE21 GLN A 61 18.464 -2.306 -2.886 1.00 0.00 H new ATOM 0 HE22 GLN A 61 19.738 -1.255 -3.513 1.00 0.00 H new ATOM 1014 N LEU A 62 14.308 -3.106 -4.069 1.00 0.00 N ATOM 1015 CA LEU A 62 14.240 -4.519 -3.568 1.00 0.00 C ATOM 1016 C LEU A 62 13.239 -5.302 -4.420 1.00 0.00 C ATOM 1017 O LEU A 62 13.365 -6.496 -4.607 1.00 0.00 O ATOM 1018 CB LEU A 62 13.763 -4.579 -2.102 1.00 0.00 C ATOM 1019 CG LEU A 62 13.413 -3.192 -1.570 1.00 0.00 C ATOM 1020 CD1 LEU A 62 12.203 -2.659 -2.337 1.00 0.00 C ATOM 1021 CD2 LEU A 62 13.069 -3.297 -0.083 1.00 0.00 C ATOM 0 H LEU A 62 14.405 -2.398 -3.341 1.00 0.00 H new ATOM 0 HA LEU A 62 15.241 -4.945 -3.633 1.00 0.00 H new ATOM 0 HB2 LEU A 62 12.891 -5.229 -2.028 1.00 0.00 H new ATOM 0 HB3 LEU A 62 14.543 -5.021 -1.482 1.00 0.00 H new ATOM 0 HG LEU A 62 14.259 -2.517 -1.701 1.00 0.00 H new ATOM 0 HD11 LEU A 62 11.944 -1.668 -1.965 1.00 0.00 H new ATOM 0 HD12 LEU A 62 12.444 -2.597 -3.398 1.00 0.00 H new ATOM 0 HD13 LEU A 62 11.357 -3.332 -2.196 1.00 0.00 H new ATOM 0 HD21 LEU A 62 12.818 -2.309 0.303 1.00 0.00 H new ATOM 0 HD22 LEU A 62 12.217 -3.965 0.047 1.00 0.00 H new ATOM 0 HD23 LEU A 62 13.926 -3.692 0.462 1.00 0.00 H new ATOM 1033 N THR A 63 12.245 -4.633 -4.938 1.00 0.00 N ATOM 1034 CA THR A 63 11.232 -5.322 -5.778 1.00 0.00 C ATOM 1035 C THR A 63 10.994 -4.481 -7.040 1.00 0.00 C ATOM 1036 O THR A 63 9.910 -4.001 -7.283 1.00 0.00 O ATOM 1037 CB THR A 63 9.925 -5.508 -4.973 1.00 0.00 C ATOM 1038 OG1 THR A 63 8.802 -5.271 -5.808 1.00 0.00 O ATOM 1039 CG2 THR A 63 9.885 -4.547 -3.771 1.00 0.00 C ATOM 0 H THR A 63 12.093 -3.632 -4.813 1.00 0.00 H new ATOM 0 HA THR A 63 11.585 -6.311 -6.071 1.00 0.00 H new ATOM 0 HB THR A 63 9.893 -6.533 -4.604 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.991 -4.516 -6.404 1.00 0.00 H new ATOM 0 HG21 THR A 63 8.957 -4.694 -3.218 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.733 -4.748 -3.116 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.936 -3.518 -4.126 1.00 0.00 H new ATOM 1047 N GLU A 64 12.033 -4.315 -7.833 1.00 0.00 N ATOM 1048 CA GLU A 64 11.964 -3.519 -9.105 1.00 0.00 C ATOM 1049 C GLU A 64 10.707 -2.640 -9.165 1.00 0.00 C ATOM 1050 O GLU A 64 10.759 -1.457 -8.895 1.00 0.00 O ATOM 1051 CB GLU A 64 11.997 -4.483 -10.290 1.00 0.00 C ATOM 1052 CG GLU A 64 12.594 -3.776 -11.509 1.00 0.00 C ATOM 1053 CD GLU A 64 12.713 -4.766 -12.668 1.00 0.00 C ATOM 1054 OE1 GLU A 64 12.819 -5.952 -12.400 1.00 0.00 O ATOM 1055 OE2 GLU A 64 12.695 -4.323 -13.805 1.00 0.00 O ATOM 0 H GLU A 64 12.953 -4.712 -7.643 1.00 0.00 H new ATOM 0 HA GLU A 64 12.822 -2.847 -9.142 1.00 0.00 H new ATOM 0 HB2 GLU A 64 12.590 -5.363 -10.040 1.00 0.00 H new ATOM 0 HB3 GLU A 64 10.989 -4.832 -10.516 1.00 0.00 H new ATOM 0 HG2 GLU A 64 11.964 -2.935 -11.799 1.00 0.00 H new ATOM 0 HG3 GLU A 64 13.575 -3.370 -11.262 1.00 0.00 H new ATOM 1062 N ASN A 65 9.578 -3.201 -9.512 1.00 0.00 N ATOM 1063 CA ASN A 65 8.334 -2.385 -9.579 1.00 0.00 C ATOM 1064 C ASN A 65 7.416 -2.773 -8.419 1.00 0.00 C ATOM 1065 O ASN A 65 6.302 -3.215 -8.617 1.00 0.00 O ATOM 1066 CB ASN A 65 7.621 -2.650 -10.907 1.00 0.00 C ATOM 1067 CG ASN A 65 6.608 -1.536 -11.175 1.00 0.00 C ATOM 1068 OD1 ASN A 65 6.872 -0.381 -10.904 1.00 0.00 O ATOM 1069 ND2 ASN A 65 5.452 -1.834 -11.701 1.00 0.00 N ATOM 0 H ASN A 65 9.466 -4.186 -9.751 1.00 0.00 H new ATOM 0 HA ASN A 65 8.585 -1.327 -9.509 1.00 0.00 H new ATOM 0 HB2 ASN A 65 8.347 -2.698 -11.718 1.00 0.00 H new ATOM 0 HB3 ASN A 65 7.116 -3.615 -10.874 1.00 0.00 H new ATOM 0 HD21 ASN A 65 4.770 -1.098 -11.885 1.00 0.00 H new ATOM 0 HD22 ASN A 65 5.230 -2.803 -11.929 1.00 0.00 H new ATOM 1076 N GLY A 66 7.878 -2.617 -7.208 1.00 0.00 N ATOM 1077 CA GLY A 66 7.035 -2.984 -6.038 1.00 0.00 C ATOM 1078 C GLY A 66 6.145 -1.805 -5.646 1.00 0.00 C ATOM 1079 O GLY A 66 4.947 -1.819 -5.847 1.00 0.00 O ATOM 0 H GLY A 66 8.802 -2.251 -6.980 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.420 -3.850 -6.280 1.00 0.00 H new ATOM 0 HA3 GLY A 66 7.668 -3.268 -5.197 1.00 0.00 H new ATOM 1083 N ALA A 67 6.727 -0.795 -5.069 1.00 0.00 N ATOM 1084 CA ALA A 67 5.941 0.386 -4.633 1.00 0.00 C ATOM 1085 C ALA A 67 5.191 1.014 -5.811 1.00 0.00 C ATOM 1086 O ALA A 67 3.982 1.056 -5.824 1.00 0.00 O ATOM 1087 CB ALA A 67 6.896 1.412 -4.030 1.00 0.00 C ATOM 0 H ALA A 67 7.727 -0.738 -4.879 1.00 0.00 H new ATOM 0 HA ALA A 67 5.205 0.069 -3.894 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.332 2.286 -3.705 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.410 0.973 -3.175 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.629 1.711 -4.779 1.00 0.00 H new ATOM 1093 N GLU A 68 5.905 1.525 -6.780 1.00 0.00 N ATOM 1094 CA GLU A 68 5.259 2.184 -7.956 1.00 0.00 C ATOM 1095 C GLU A 68 3.901 1.549 -8.285 1.00 0.00 C ATOM 1096 O GLU A 68 2.988 2.218 -8.727 1.00 0.00 O ATOM 1097 CB GLU A 68 6.181 2.041 -9.164 1.00 0.00 C ATOM 1098 CG GLU A 68 6.589 3.428 -9.649 1.00 0.00 C ATOM 1099 CD GLU A 68 6.398 3.521 -11.164 1.00 0.00 C ATOM 1100 OE1 GLU A 68 5.512 2.853 -11.671 1.00 0.00 O ATOM 1101 OE2 GLU A 68 7.141 4.258 -11.791 1.00 0.00 O ATOM 0 H GLU A 68 6.925 1.514 -6.807 1.00 0.00 H new ATOM 0 HA GLU A 68 5.091 3.233 -7.714 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.065 1.462 -8.896 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.674 1.498 -9.962 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.990 4.189 -9.150 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.630 3.622 -9.391 1.00 0.00 H new ATOM 1108 N SER A 69 3.763 0.268 -8.095 1.00 0.00 N ATOM 1109 CA SER A 69 2.468 -0.400 -8.423 1.00 0.00 C ATOM 1110 C SER A 69 1.439 -0.199 -7.299 1.00 0.00 C ATOM 1111 O SER A 69 0.355 0.316 -7.518 1.00 0.00 O ATOM 1112 CB SER A 69 2.711 -1.896 -8.619 1.00 0.00 C ATOM 1113 OG SER A 69 2.984 -2.152 -9.990 1.00 0.00 O ATOM 0 H SER A 69 4.488 -0.348 -7.727 1.00 0.00 H new ATOM 0 HA SER A 69 2.072 0.045 -9.336 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.548 -2.224 -8.002 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.837 -2.463 -8.298 1.00 0.00 H new ATOM 0 HG SER A 69 3.142 -3.111 -10.119 1.00 0.00 H new ATOM 1119 N VAL A 70 1.755 -0.616 -6.102 1.00 0.00 N ATOM 1120 CA VAL A 70 0.785 -0.467 -4.984 1.00 0.00 C ATOM 1121 C VAL A 70 0.321 0.978 -4.922 1.00 0.00 C ATOM 1122 O VAL A 70 -0.852 1.261 -4.814 1.00 0.00 O ATOM 1123 CB VAL A 70 1.456 -0.842 -3.667 1.00 0.00 C ATOM 1124 CG1 VAL A 70 0.480 -0.606 -2.516 1.00 0.00 C ATOM 1125 CG2 VAL A 70 1.858 -2.316 -3.702 1.00 0.00 C ATOM 0 H VAL A 70 2.642 -1.053 -5.852 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.069 -1.124 -5.150 1.00 0.00 H new ATOM 0 HB VAL A 70 2.345 -0.228 -3.522 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.958 -0.873 -1.573 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.193 0.445 -2.492 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.408 -1.221 -2.660 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.338 -2.585 -2.761 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.970 -2.932 -3.846 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.553 -2.484 -4.525 1.00 0.00 H new ATOM 1135 N LEU A 71 1.238 1.892 -5.000 1.00 0.00 N ATOM 1136 CA LEU A 71 0.860 3.328 -4.959 1.00 0.00 C ATOM 1137 C LEU A 71 -0.141 3.599 -6.074 1.00 0.00 C ATOM 1138 O LEU A 71 -1.150 4.223 -5.867 1.00 0.00 O ATOM 1139 CB LEU A 71 2.093 4.190 -5.186 1.00 0.00 C ATOM 1140 CG LEU A 71 1.674 5.658 -5.281 1.00 0.00 C ATOM 1141 CD1 LEU A 71 1.311 6.178 -3.889 1.00 0.00 C ATOM 1142 CD2 LEU A 71 2.832 6.484 -5.846 1.00 0.00 C ATOM 0 H LEU A 71 2.237 1.708 -5.091 1.00 0.00 H new ATOM 0 HA LEU A 71 0.425 3.565 -3.988 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.801 4.054 -4.368 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.600 3.885 -6.101 1.00 0.00 H new ATOM 0 HG LEU A 71 0.809 5.745 -5.938 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.013 7.224 -3.958 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.486 5.591 -3.485 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.175 6.090 -3.231 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.534 7.530 -5.914 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.697 6.395 -5.189 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.091 6.116 -6.839 1.00 0.00 H new ATOM 1154 N GLN A 72 0.134 3.128 -7.257 1.00 0.00 N ATOM 1155 CA GLN A 72 -0.811 3.353 -8.385 1.00 0.00 C ATOM 1156 C GLN A 72 -2.193 2.867 -7.971 1.00 0.00 C ATOM 1157 O GLN A 72 -3.202 3.432 -8.332 1.00 0.00 O ATOM 1158 CB GLN A 72 -0.306 2.578 -9.623 1.00 0.00 C ATOM 1159 CG GLN A 72 -1.322 1.522 -10.088 1.00 0.00 C ATOM 1160 CD GLN A 72 -0.879 0.944 -11.432 1.00 0.00 C ATOM 1161 OE1 GLN A 72 -0.353 1.652 -12.268 1.00 0.00 O ATOM 1162 NE2 GLN A 72 -1.072 -0.323 -11.678 1.00 0.00 N ATOM 0 H GLN A 72 0.972 2.597 -7.492 1.00 0.00 H new ATOM 0 HA GLN A 72 -0.870 4.413 -8.634 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -0.111 3.278 -10.436 1.00 0.00 H new ATOM 0 HB3 GLN A 72 0.641 2.092 -9.387 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -1.401 0.727 -9.347 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -2.311 1.970 -10.181 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -1.513 -0.917 -10.976 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -0.781 -0.719 -12.572 1.00 0.00 H new ATOM 1171 N VAL A 73 -2.234 1.804 -7.237 1.00 0.00 N ATOM 1172 CA VAL A 73 -3.530 1.247 -6.805 1.00 0.00 C ATOM 1173 C VAL A 73 -4.121 2.101 -5.681 1.00 0.00 C ATOM 1174 O VAL A 73 -5.322 2.188 -5.528 1.00 0.00 O ATOM 1175 CB VAL A 73 -3.286 -0.177 -6.327 1.00 0.00 C ATOM 1176 CG1 VAL A 73 -4.513 -0.715 -5.594 1.00 0.00 C ATOM 1177 CG2 VAL A 73 -2.964 -1.046 -7.547 1.00 0.00 C ATOM 0 H VAL A 73 -1.414 1.291 -6.914 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.242 1.247 -7.630 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.450 -0.195 -5.628 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.319 -1.734 -5.260 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.727 -0.085 -4.731 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.370 -0.711 -6.267 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.785 -2.072 -7.226 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.804 -1.024 -8.241 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.073 -0.661 -8.043 1.00 0.00 H new ATOM 1187 N PHE A 74 -3.298 2.727 -4.890 1.00 0.00 N ATOM 1188 CA PHE A 74 -3.841 3.567 -3.782 1.00 0.00 C ATOM 1189 C PHE A 74 -4.385 4.884 -4.351 1.00 0.00 C ATOM 1190 O PHE A 74 -5.417 5.375 -3.933 1.00 0.00 O ATOM 1191 CB PHE A 74 -2.734 3.858 -2.766 1.00 0.00 C ATOM 1192 CG PHE A 74 -2.788 2.827 -1.668 1.00 0.00 C ATOM 1193 CD1 PHE A 74 -3.699 2.975 -0.617 1.00 0.00 C ATOM 1194 CD2 PHE A 74 -1.932 1.721 -1.704 1.00 0.00 C ATOM 1195 CE1 PHE A 74 -3.754 2.016 0.400 1.00 0.00 C ATOM 1196 CE2 PHE A 74 -1.987 0.762 -0.687 1.00 0.00 C ATOM 1197 CZ PHE A 74 -2.898 0.909 0.365 1.00 0.00 C ATOM 0 H PHE A 74 -2.281 2.696 -4.959 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.650 3.031 -3.286 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.760 3.836 -3.255 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.859 4.858 -2.350 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.360 3.829 -0.591 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -1.229 1.608 -2.516 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.457 2.130 1.212 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -1.326 -0.092 -0.714 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.941 0.168 1.150 1.00 0.00 H new ATOM 1207 N ARG A 75 -3.710 5.448 -5.311 1.00 0.00 N ATOM 1208 CA ARG A 75 -4.181 6.712 -5.919 1.00 0.00 C ATOM 1209 C ARG A 75 -5.356 6.393 -6.825 1.00 0.00 C ATOM 1210 O ARG A 75 -6.330 7.110 -6.878 1.00 0.00 O ATOM 1211 CB ARG A 75 -3.062 7.320 -6.753 1.00 0.00 C ATOM 1212 CG ARG A 75 -1.936 7.801 -5.836 1.00 0.00 C ATOM 1213 CD ARG A 75 -1.541 9.229 -6.216 1.00 0.00 C ATOM 1214 NE ARG A 75 -1.067 9.254 -7.628 1.00 0.00 N ATOM 1215 CZ ARG A 75 -0.961 10.391 -8.261 1.00 0.00 C ATOM 1216 NH1 ARG A 75 -0.073 11.269 -7.880 1.00 0.00 N ATOM 1217 NH2 ARG A 75 -1.742 10.649 -9.273 1.00 0.00 N ATOM 0 H ARG A 75 -2.843 5.080 -5.702 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.477 7.416 -5.142 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.679 6.582 -7.458 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.446 8.154 -7.341 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.260 7.767 -4.796 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.074 7.139 -5.923 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.393 9.898 -6.095 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.756 9.590 -5.551 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.825 8.383 -8.100 1.00 0.00 H new ATOM 0 HH11 ARG A 75 0.537 11.066 -7.088 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.010 12.157 -8.374 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.436 9.963 -9.570 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.659 11.537 -9.768 1.00 0.00 H new ATOM 1231 N GLU A 76 -5.260 5.302 -7.527 1.00 0.00 N ATOM 1232 CA GLU A 76 -6.361 4.879 -8.429 1.00 0.00 C ATOM 1233 C GLU A 76 -7.601 4.659 -7.571 1.00 0.00 C ATOM 1234 O GLU A 76 -8.682 5.106 -7.894 1.00 0.00 O ATOM 1235 CB GLU A 76 -5.963 3.571 -9.100 1.00 0.00 C ATOM 1236 CG GLU A 76 -5.300 3.845 -10.449 1.00 0.00 C ATOM 1237 CD GLU A 76 -6.356 4.304 -11.456 1.00 0.00 C ATOM 1238 OE1 GLU A 76 -7.235 3.516 -11.764 1.00 0.00 O ATOM 1239 OE2 GLU A 76 -6.269 5.437 -11.902 1.00 0.00 O ATOM 0 H GLU A 76 -4.454 4.677 -7.513 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.559 5.631 -9.193 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.278 3.018 -8.457 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.844 2.944 -9.241 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.531 4.610 -10.339 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -4.804 2.944 -10.812 1.00 0.00 H new ATOM 1246 N ALA A 77 -7.441 3.990 -6.457 1.00 0.00 N ATOM 1247 CA ALA A 77 -8.593 3.774 -5.558 1.00 0.00 C ATOM 1248 C ALA A 77 -9.045 5.152 -5.104 1.00 0.00 C ATOM 1249 O ALA A 77 -10.220 5.438 -4.999 1.00 0.00 O ATOM 1250 CB ALA A 77 -8.176 2.929 -4.351 1.00 0.00 C ATOM 0 H ALA A 77 -6.559 3.588 -6.139 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.396 3.241 -6.067 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.036 2.778 -3.698 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.807 1.962 -4.694 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.388 3.444 -3.801 1.00 0.00 H new ATOM 1256 N LYS A 78 -8.105 6.032 -4.881 1.00 0.00 N ATOM 1257 CA LYS A 78 -8.474 7.413 -4.493 1.00 0.00 C ATOM 1258 C LYS A 78 -9.337 7.971 -5.615 1.00 0.00 C ATOM 1259 O LYS A 78 -10.236 8.763 -5.412 1.00 0.00 O ATOM 1260 CB LYS A 78 -7.207 8.252 -4.386 1.00 0.00 C ATOM 1261 CG LYS A 78 -7.297 9.177 -3.171 1.00 0.00 C ATOM 1262 CD LYS A 78 -7.744 10.569 -3.620 1.00 0.00 C ATOM 1263 CE LYS A 78 -6.622 11.233 -4.421 1.00 0.00 C ATOM 1264 NZ LYS A 78 -5.561 11.708 -3.489 1.00 0.00 N ATOM 0 H LYS A 78 -7.104 5.850 -4.952 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.001 7.428 -3.539 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.337 7.602 -4.296 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.072 8.841 -5.293 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.003 8.773 -2.445 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.329 9.237 -2.674 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.645 10.494 -4.229 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.996 11.179 -2.752 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -6.203 10.525 -5.136 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -7.017 12.070 -4.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -4.924 12.359 -3.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -6.000 12.204 -2.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.018 10.894 -3.137 1.00 0.00 H new ATOM 1278 N ALA A 79 -9.047 7.536 -6.808 1.00 0.00 N ATOM 1279 CA ALA A 79 -9.800 7.984 -7.997 1.00 0.00 C ATOM 1280 C ALA A 79 -11.185 7.342 -7.977 1.00 0.00 C ATOM 1281 O ALA A 79 -12.160 7.910 -8.430 1.00 0.00 O ATOM 1282 CB ALA A 79 -9.038 7.529 -9.240 1.00 0.00 C ATOM 0 H ALA A 79 -8.299 6.872 -7.007 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.908 9.069 -8.002 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.575 7.848 -10.133 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.042 7.971 -9.238 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.953 6.442 -9.237 1.00 0.00 H new ATOM 1288 N GLU A 80 -11.268 6.155 -7.448 1.00 0.00 N ATOM 1289 CA GLU A 80 -12.566 5.441 -7.375 1.00 0.00 C ATOM 1290 C GLU A 80 -13.567 6.262 -6.559 1.00 0.00 C ATOM 1291 O GLU A 80 -14.749 5.980 -6.540 1.00 0.00 O ATOM 1292 CB GLU A 80 -12.341 4.088 -6.694 1.00 0.00 C ATOM 1293 CG GLU A 80 -11.953 3.046 -7.739 1.00 0.00 C ATOM 1294 CD GLU A 80 -13.014 3.002 -8.841 1.00 0.00 C ATOM 1295 OE1 GLU A 80 -14.172 2.804 -8.514 1.00 0.00 O ATOM 1296 OE2 GLU A 80 -12.649 3.169 -9.994 1.00 0.00 O ATOM 0 H GLU A 80 -10.477 5.643 -7.057 1.00 0.00 H new ATOM 0 HA GLU A 80 -12.964 5.296 -8.379 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.556 4.174 -5.943 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.247 3.776 -6.174 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -10.980 3.290 -8.167 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -11.859 2.066 -7.272 1.00 0.00 H new ATOM 1303 N GLY A 81 -13.100 7.267 -5.870 1.00 0.00 N ATOM 1304 CA GLY A 81 -14.016 8.095 -5.039 1.00 0.00 C ATOM 1305 C GLY A 81 -13.667 7.883 -3.566 1.00 0.00 C ATOM 1306 O GLY A 81 -14.288 8.436 -2.681 1.00 0.00 O ATOM 0 H GLY A 81 -12.120 7.550 -5.847 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -13.918 9.148 -5.303 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -15.053 7.815 -5.226 1.00 0.00 H new ATOM 1310 N CYS A 82 -12.670 7.080 -3.301 1.00 0.00 N ATOM 1311 CA CYS A 82 -12.266 6.819 -1.898 1.00 0.00 C ATOM 1312 C CYS A 82 -11.493 8.022 -1.356 1.00 0.00 C ATOM 1313 O CYS A 82 -11.032 8.863 -2.102 1.00 0.00 O ATOM 1314 CB CYS A 82 -11.368 5.583 -1.867 1.00 0.00 C ATOM 1315 SG CYS A 82 -12.391 4.090 -1.904 1.00 0.00 S ATOM 0 H CYS A 82 -12.117 6.592 -4.006 1.00 0.00 H new ATOM 0 HA CYS A 82 -13.150 6.653 -1.283 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -10.689 5.592 -2.720 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -10.751 5.591 -0.968 1.00 0.00 H new ATOM 0 HG CYS A 82 -12.181 3.393 -0.827 1.00 0.00 H new ATOM 1321 N ASP A 83 -11.348 8.112 -0.064 1.00 0.00 N ATOM 1322 CA ASP A 83 -10.605 9.259 0.523 1.00 0.00 C ATOM 1323 C ASP A 83 -9.265 8.770 1.078 1.00 0.00 C ATOM 1324 O ASP A 83 -8.988 8.885 2.256 1.00 0.00 O ATOM 1325 CB ASP A 83 -11.439 9.870 1.647 1.00 0.00 C ATOM 1326 CG ASP A 83 -10.913 11.268 1.977 1.00 0.00 C ATOM 1327 OD1 ASP A 83 -9.707 11.415 2.089 1.00 0.00 O ATOM 1328 OD2 ASP A 83 -11.725 12.169 2.111 1.00 0.00 O ATOM 0 H ASP A 83 -11.713 7.440 0.611 1.00 0.00 H new ATOM 0 HA ASP A 83 -10.420 10.011 -0.244 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.486 9.926 1.347 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.394 9.236 2.532 1.00 0.00 H new ATOM 1333 N ILE A 84 -8.431 8.223 0.235 1.00 0.00 N ATOM 1334 CA ILE A 84 -7.106 7.725 0.703 1.00 0.00 C ATOM 1335 C ILE A 84 -6.063 8.837 0.553 1.00 0.00 C ATOM 1336 O ILE A 84 -5.375 8.918 -0.446 1.00 0.00 O ATOM 1337 CB ILE A 84 -6.680 6.539 -0.154 1.00 0.00 C ATOM 1338 CG1 ILE A 84 -7.567 5.343 0.148 1.00 0.00 C ATOM 1339 CG2 ILE A 84 -5.225 6.186 0.151 1.00 0.00 C ATOM 1340 CD1 ILE A 84 -8.021 4.736 -1.172 1.00 0.00 C ATOM 0 H ILE A 84 -8.611 8.099 -0.761 1.00 0.00 H new ATOM 0 HA ILE A 84 -7.183 7.423 1.748 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.777 6.802 -1.207 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -7.022 4.605 0.737 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -8.429 5.650 0.741 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.920 5.338 -0.462 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.588 7.042 -0.072 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -5.127 5.926 1.205 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.660 3.875 -0.976 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -8.579 5.479 -1.742 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -7.150 4.419 -1.745 1.00 0.00 H new ATOM 1352 N THR A 85 -5.933 9.689 1.528 1.00 0.00 N ATOM 1353 CA THR A 85 -4.926 10.784 1.424 1.00 0.00 C ATOM 1354 C THR A 85 -3.566 10.181 1.065 1.00 0.00 C ATOM 1355 O THR A 85 -2.861 9.668 1.912 1.00 0.00 O ATOM 1356 CB THR A 85 -4.827 11.516 2.765 1.00 0.00 C ATOM 1357 OG1 THR A 85 -5.976 12.333 2.942 1.00 0.00 O ATOM 1358 CG2 THR A 85 -3.570 12.390 2.786 1.00 0.00 C ATOM 0 H THR A 85 -6.477 9.677 2.391 1.00 0.00 H new ATOM 0 HA THR A 85 -5.228 11.491 0.651 1.00 0.00 H new ATOM 0 HB THR A 85 -4.770 10.786 3.572 1.00 0.00 H new ATOM 0 HG1 THR A 85 -5.915 12.801 3.801 1.00 0.00 H new ATOM 0 HG21 THR A 85 -3.504 12.909 3.742 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.689 11.763 2.652 1.00 0.00 H new ATOM 0 HG23 THR A 85 -3.622 13.121 1.979 1.00 0.00 H new ATOM 1366 N ILE A 86 -3.192 10.232 -0.185 1.00 0.00 N ATOM 1367 CA ILE A 86 -1.881 9.655 -0.591 1.00 0.00 C ATOM 1368 C ILE A 86 -0.748 10.561 -0.096 1.00 0.00 C ATOM 1369 O ILE A 86 -0.675 11.724 -0.441 1.00 0.00 O ATOM 1370 CB ILE A 86 -1.844 9.506 -2.128 1.00 0.00 C ATOM 1371 CG1 ILE A 86 -1.288 8.128 -2.481 1.00 0.00 C ATOM 1372 CG2 ILE A 86 -0.967 10.583 -2.778 1.00 0.00 C ATOM 1373 CD1 ILE A 86 -2.417 7.102 -2.419 1.00 0.00 C ATOM 0 H ILE A 86 -3.737 10.648 -0.940 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.750 8.669 -0.145 1.00 0.00 H new ATOM 0 HB ILE A 86 -2.860 9.621 -2.507 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.849 8.144 -3.479 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.493 7.854 -1.787 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.965 10.447 -3.859 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.364 11.569 -2.537 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.052 10.500 -2.400 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.027 6.116 -2.670 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.835 7.081 -1.413 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -3.197 7.375 -3.130 1.00 0.00 H new ATOM 1385 N ILE A 87 0.136 10.037 0.704 1.00 0.00 N ATOM 1386 CA ILE A 87 1.261 10.868 1.212 1.00 0.00 C ATOM 1387 C ILE A 87 2.584 10.254 0.750 1.00 0.00 C ATOM 1388 O ILE A 87 2.812 9.070 0.892 1.00 0.00 O ATOM 1389 CB ILE A 87 1.211 10.907 2.739 1.00 0.00 C ATOM 1390 CG1 ILE A 87 -0.011 11.713 3.187 1.00 0.00 C ATOM 1391 CG2 ILE A 87 2.480 11.567 3.278 1.00 0.00 C ATOM 1392 CD1 ILE A 87 -0.571 11.116 4.479 1.00 0.00 C ATOM 0 H ILE A 87 0.128 9.070 1.028 1.00 0.00 H new ATOM 0 HA ILE A 87 1.178 11.884 0.825 1.00 0.00 H new ATOM 0 HB ILE A 87 1.140 9.890 3.125 1.00 0.00 H new ATOM 0 HG12 ILE A 87 0.266 12.755 3.346 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -0.773 11.701 2.408 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.442 11.594 4.367 1.00 0.00 H new ATOM 0 HG22 ILE A 87 3.351 10.995 2.959 1.00 0.00 H new ATOM 0 HG23 ILE A 87 2.553 12.584 2.893 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -1.441 11.690 4.798 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.863 10.081 4.305 1.00 0.00 H new ATOM 0 HD13 ILE A 87 0.192 11.151 5.257 1.00 0.00 H new ATOM 1404 N LEU A 88 3.455 11.046 0.190 1.00 0.00 N ATOM 1405 CA LEU A 88 4.756 10.499 -0.287 1.00 0.00 C ATOM 1406 C LEU A 88 5.899 11.381 0.219 1.00 0.00 C ATOM 1407 O LEU A 88 5.979 12.552 -0.097 1.00 0.00 O ATOM 1408 CB LEU A 88 4.765 10.475 -1.816 1.00 0.00 C ATOM 1409 CG LEU A 88 4.410 9.069 -2.301 1.00 0.00 C ATOM 1410 CD1 LEU A 88 2.942 9.027 -2.731 1.00 0.00 C ATOM 1411 CD2 LEU A 88 5.301 8.704 -3.489 1.00 0.00 C ATOM 0 H LEU A 88 3.323 12.047 0.042 1.00 0.00 H new ATOM 0 HA LEU A 88 4.887 9.486 0.094 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.049 11.198 -2.207 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.747 10.764 -2.190 1.00 0.00 H new ATOM 0 HG LEU A 88 4.568 8.356 -1.492 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.693 8.024 -3.076 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.307 9.288 -1.884 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.779 9.740 -3.540 1.00 0.00 H new ATOM 0 HD21 LEU A 88 5.051 7.702 -3.837 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.142 9.419 -4.296 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.346 8.730 -3.181 1.00 0.00 H new ATOM 1423 N SER A 89 6.784 10.829 1.004 1.00 0.00 N ATOM 1424 CA SER A 89 7.920 11.636 1.530 1.00 0.00 C ATOM 1425 C SER A 89 9.187 11.313 0.735 1.00 0.00 C ATOM 1426 O SER A 89 10.229 11.163 1.352 1.00 0.00 O ATOM 1427 CB SER A 89 8.144 11.299 3.005 1.00 0.00 C ATOM 1428 OG SER A 89 7.637 12.356 3.810 1.00 0.00 O ATOM 1429 OXT SER A 89 9.094 11.221 -0.478 1.00 0.00 O ATOM 0 H SER A 89 6.769 9.854 1.303 1.00 0.00 H new ATOM 0 HA SER A 89 7.689 12.697 1.430 1.00 0.00 H new ATOM 0 HB2 SER A 89 7.645 10.363 3.256 1.00 0.00 H new ATOM 0 HB3 SER A 89 9.207 11.155 3.200 1.00 0.00 H new ATOM 0 HG SER A 89 7.777 12.143 4.756 1.00 0.00 H new TER 1435 SER A 89