USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 631 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 33 ASN : amide:sc= -0.0429 K(o=-0.68,f=-1.7!) USER MOD Set 1.2: A 54 ASN : amide:sc= -0.633 X(o=-0.68,f=-0.19) USER MOD Set 2.1: A 27 HIS : no HE2:sc= -12.8! C(o=-30!,f=-29!) USER MOD Set 2.2: A 28 ASN : amide:sc= -17.4! C(o=-30!,f=-26!) USER MOD Single : A 15 ASN : amide:sc= -1.94! C(o=-1.9!,f=-3.5!) USER MOD Single : A 17 GLN : amide:sc= -8.73! C(o=-8.7!,f=-7.8!) USER MOD Single : A 18 LYS NZ :NH3+ 134:sc= 1.42 (180deg=0.807) USER MOD Single : A 20 LYS NZ :NH3+ 179:sc= 0.0652 (180deg=0.065) USER MOD Single : A 22 THR OG1 : rot 73:sc= 0.588 USER MOD Single : A 24 TYR OH : rot -73:sc= -0.746 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot -90:sc= -0.361 USER MOD Single : A 36 THR OG1 : rot 150:sc= 0.00707 USER MOD Single : A 38 THR OG1 : rot -19:sc= 0.515 USER MOD Single : A 39 ASN : amide:sc= -0.211 K(o=-0.21,f=-2.2!) USER MOD Single : A 43 ASN : amide:sc= -0.6 K(o=-0.6,f=-3!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot -150:sc= -0.877 USER MOD Single : A 55 ASN : amide:sc= -0.665 K(o=-0.66,f=0.62) USER MOD Single : A 57 LYS NZ :NH3+ 166:sc= -0.039 (180deg=-0.289) USER MOD Single : A 58 ASN : amide:sc= -0.03 X(o=-0.03,f=-0.5) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -161:sc= -0.0874 (180deg=-0.585) USER MOD Single : A 68 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.237) USER MOD Single : A 71 SER OG : rot 180:sc=-0.00118 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 140:sc=-0.00974 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl 138:sc= -0.227 (180deg=-1.39!) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 85 LYS NZ :NH3+ 154:sc= 0.903 (180deg=0.467) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 11 N PHE A 13 -8.540 11.428 -12.652 1.00 0.00 N ATOM 12 CA PHE A 13 -9.095 11.399 -11.269 1.00 0.00 C ATOM 13 C PHE A 13 -8.476 10.224 -10.515 1.00 0.00 C ATOM 14 O PHE A 13 -8.561 10.133 -9.311 1.00 0.00 O ATOM 15 CB PHE A 13 -10.619 11.227 -11.335 1.00 0.00 C ATOM 16 CG PHE A 13 -10.963 9.855 -11.874 1.00 0.00 C ATOM 17 CD1 PHE A 13 -11.073 9.651 -13.255 1.00 0.00 C ATOM 18 CD2 PHE A 13 -11.175 8.789 -10.991 1.00 0.00 C ATOM 19 CE1 PHE A 13 -11.394 8.381 -13.752 1.00 0.00 C ATOM 20 CE2 PHE A 13 -11.494 7.519 -11.488 1.00 0.00 C ATOM 21 CZ PHE A 13 -11.603 7.315 -12.869 1.00 0.00 C ATOM 0 HA PHE A 13 -8.863 12.331 -10.753 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -11.051 11.355 -10.343 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -11.053 11.997 -11.973 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -10.910 10.473 -13.937 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -11.092 8.946 -9.926 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -11.480 8.224 -14.817 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -11.656 6.697 -10.806 1.00 0.00 H new ATOM 0 HZ PHE A 13 -11.848 6.336 -13.253 1.00 0.00 H new ATOM 31 N PHE A 14 -7.861 9.323 -11.233 1.00 0.00 N ATOM 32 CA PHE A 14 -7.225 8.131 -10.596 1.00 0.00 C ATOM 33 C PHE A 14 -6.153 8.596 -9.610 1.00 0.00 C ATOM 34 O PHE A 14 -5.857 7.935 -8.639 1.00 0.00 O ATOM 35 CB PHE A 14 -6.569 7.260 -11.676 1.00 0.00 C ATOM 36 CG PHE A 14 -7.631 6.597 -12.523 1.00 0.00 C ATOM 37 CD1 PHE A 14 -8.219 5.401 -12.092 1.00 0.00 C ATOM 38 CD2 PHE A 14 -8.025 7.171 -13.740 1.00 0.00 C ATOM 39 CE1 PHE A 14 -9.198 4.779 -12.876 1.00 0.00 C ATOM 40 CE2 PHE A 14 -9.006 6.547 -14.523 1.00 0.00 C ATOM 41 CZ PHE A 14 -9.592 5.353 -14.090 1.00 0.00 C ATOM 0 H PHE A 14 -7.771 9.362 -12.248 1.00 0.00 H new ATOM 0 HA PHE A 14 -7.985 7.553 -10.071 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -5.921 7.872 -12.304 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -5.939 6.502 -11.210 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -7.917 4.958 -11.154 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.573 8.093 -14.074 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -9.649 3.856 -12.544 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -9.309 6.988 -15.461 1.00 0.00 H new ATOM 0 HZ PHE A 14 -10.349 4.874 -14.693 1.00 0.00 H new ATOM 51 N ASN A 15 -5.557 9.727 -9.873 1.00 0.00 N ATOM 52 CA ASN A 15 -4.485 10.254 -8.979 1.00 0.00 C ATOM 53 C ASN A 15 -5.063 10.510 -7.585 1.00 0.00 C ATOM 54 O ASN A 15 -4.410 10.299 -6.586 1.00 0.00 O ATOM 55 CB ASN A 15 -3.953 11.575 -9.558 1.00 0.00 C ATOM 56 CG ASN A 15 -2.874 12.144 -8.634 1.00 0.00 C ATOM 57 OD1 ASN A 15 -2.645 11.625 -7.562 1.00 0.00 O ATOM 58 ND2 ASN A 15 -2.199 13.197 -9.007 1.00 0.00 N ATOM 0 H ASN A 15 -5.769 10.316 -10.679 1.00 0.00 H new ATOM 0 HA ASN A 15 -3.676 9.527 -8.909 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -3.542 11.408 -10.554 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.768 12.291 -9.666 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -1.479 13.584 -8.397 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -2.392 13.633 -9.909 1.00 0.00 H new ATOM 65 N GLU A 16 -6.276 10.985 -7.522 1.00 0.00 N ATOM 66 CA GLU A 16 -6.913 11.284 -6.203 1.00 0.00 C ATOM 67 C GLU A 16 -6.959 10.017 -5.346 1.00 0.00 C ATOM 68 O GLU A 16 -6.620 10.033 -4.181 1.00 0.00 O ATOM 69 CB GLU A 16 -8.346 11.786 -6.445 1.00 0.00 C ATOM 70 CG GLU A 16 -8.307 13.134 -7.174 1.00 0.00 C ATOM 71 CD GLU A 16 -7.663 14.193 -6.275 1.00 0.00 C ATOM 72 OE1 GLU A 16 -7.625 13.980 -5.074 1.00 0.00 O ATOM 73 OE2 GLU A 16 -7.215 15.196 -6.804 1.00 0.00 O ATOM 0 H GLU A 16 -6.861 11.182 -8.334 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.332 12.045 -5.683 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.901 11.058 -7.037 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.870 11.891 -5.495 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.743 13.040 -8.102 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.317 13.440 -7.445 1.00 0.00 H new ATOM 80 N GLN A 17 -7.376 8.923 -5.919 1.00 0.00 N ATOM 81 CA GLN A 17 -7.450 7.644 -5.153 1.00 0.00 C ATOM 82 C GLN A 17 -6.033 7.186 -4.799 1.00 0.00 C ATOM 83 O GLN A 17 -5.788 6.626 -3.750 1.00 0.00 O ATOM 84 CB GLN A 17 -8.137 6.570 -6.029 1.00 0.00 C ATOM 85 CG GLN A 17 -8.967 5.635 -5.144 1.00 0.00 C ATOM 86 CD GLN A 17 -8.081 5.058 -4.038 1.00 0.00 C ATOM 87 OE1 GLN A 17 -7.892 5.677 -3.011 1.00 0.00 O ATOM 88 NE2 GLN A 17 -7.527 3.890 -4.205 1.00 0.00 N ATOM 0 H GLN A 17 -7.672 8.858 -6.893 1.00 0.00 H new ATOM 0 HA GLN A 17 -8.023 7.791 -4.238 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.777 7.047 -6.771 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.387 5.998 -6.575 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -9.804 6.179 -4.707 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.389 4.829 -5.744 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -7.685 3.369 -5.068 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -6.935 3.497 -3.473 1.00 0.00 H new ATOM 97 N LYS A 18 -5.117 7.398 -5.699 1.00 0.00 N ATOM 98 CA LYS A 18 -3.707 6.974 -5.482 1.00 0.00 C ATOM 99 C LYS A 18 -3.130 7.721 -4.279 1.00 0.00 C ATOM 100 O LYS A 18 -2.426 7.163 -3.466 1.00 0.00 O ATOM 101 CB LYS A 18 -2.892 7.326 -6.740 1.00 0.00 C ATOM 102 CG LYS A 18 -1.639 6.435 -6.814 1.00 0.00 C ATOM 103 CD LYS A 18 -1.991 5.121 -7.542 1.00 0.00 C ATOM 104 CE LYS A 18 -1.836 5.308 -9.055 1.00 0.00 C ATOM 105 NZ LYS A 18 -0.403 5.140 -9.426 1.00 0.00 N ATOM 0 H LYS A 18 -5.289 7.856 -6.594 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.663 5.901 -5.293 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -3.503 7.185 -7.632 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.602 8.376 -6.715 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.840 6.954 -7.343 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.271 6.221 -5.811 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.340 4.318 -7.197 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.013 4.826 -7.306 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.449 4.581 -9.588 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.186 6.297 -9.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.331 4.525 -10.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.011 6.069 -9.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.113 4.708 -8.633 1.00 0.00 H new ATOM 119 N GLU A 19 -3.421 8.987 -4.187 1.00 0.00 N ATOM 120 CA GLU A 19 -2.901 9.813 -3.060 1.00 0.00 C ATOM 121 C GLU A 19 -3.503 9.304 -1.748 1.00 0.00 C ATOM 122 O GLU A 19 -2.837 9.228 -0.737 1.00 0.00 O ATOM 123 CB GLU A 19 -3.322 11.274 -3.281 1.00 0.00 C ATOM 124 CG GLU A 19 -2.755 12.149 -2.160 1.00 0.00 C ATOM 125 CD GLU A 19 -3.123 13.616 -2.407 1.00 0.00 C ATOM 126 OE1 GLU A 19 -3.515 13.931 -3.519 1.00 0.00 O ATOM 127 OE2 GLU A 19 -3.003 14.398 -1.478 1.00 0.00 O ATOM 0 H GLU A 19 -4.005 9.493 -4.853 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.814 9.744 -3.014 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.960 11.625 -4.248 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.409 11.350 -3.301 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.149 11.823 -1.198 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.671 12.040 -2.114 1.00 0.00 H new ATOM 134 N LYS A 20 -4.765 8.965 -1.771 1.00 0.00 N ATOM 135 CA LYS A 20 -5.449 8.462 -0.541 1.00 0.00 C ATOM 136 C LYS A 20 -4.822 7.139 -0.096 1.00 0.00 C ATOM 137 O LYS A 20 -4.638 6.892 1.076 1.00 0.00 O ATOM 138 CB LYS A 20 -6.931 8.230 -0.853 1.00 0.00 C ATOM 139 CG LYS A 20 -7.627 9.577 -1.067 1.00 0.00 C ATOM 140 CD LYS A 20 -9.073 9.348 -1.532 1.00 0.00 C ATOM 141 CE LYS A 20 -9.939 8.905 -0.350 1.00 0.00 C ATOM 142 NZ LYS A 20 -11.374 8.950 -0.739 1.00 0.00 N ATOM 0 H LYS A 20 -5.359 9.016 -2.599 1.00 0.00 H new ATOM 0 HA LYS A 20 -5.341 9.198 0.256 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.033 7.611 -1.744 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.405 7.690 -0.034 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.620 10.151 -0.141 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.085 10.163 -1.809 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.474 10.265 -1.964 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.096 8.590 -2.315 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.666 7.895 -0.044 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.763 9.556 0.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.960 8.633 0.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.634 9.924 -0.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.532 8.325 -1.555 1.00 0.00 H new ATOM 156 N VAL A 21 -4.512 6.284 -1.030 1.00 0.00 N ATOM 157 CA VAL A 21 -3.911 4.962 -0.688 1.00 0.00 C ATOM 158 C VAL A 21 -2.533 5.178 -0.052 1.00 0.00 C ATOM 159 O VAL A 21 -2.164 4.510 0.892 1.00 0.00 O ATOM 160 CB VAL A 21 -3.767 4.114 -1.964 1.00 0.00 C ATOM 161 CG1 VAL A 21 -3.005 2.827 -1.638 1.00 0.00 C ATOM 162 CG2 VAL A 21 -5.158 3.754 -2.499 1.00 0.00 C ATOM 0 H VAL A 21 -4.651 6.446 -2.028 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.557 4.440 0.018 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.221 4.683 -2.716 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.903 2.226 -2.542 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.016 3.077 -1.255 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.553 2.260 -0.885 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.056 3.153 -3.403 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.702 3.185 -1.745 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.706 4.667 -2.730 1.00 0.00 H new ATOM 172 N THR A 22 -1.765 6.092 -0.588 1.00 0.00 N ATOM 173 CA THR A 22 -0.393 6.354 -0.051 1.00 0.00 C ATOM 174 C THR A 22 -0.486 6.779 1.416 1.00 0.00 C ATOM 175 O THR A 22 0.250 6.305 2.255 1.00 0.00 O ATOM 176 CB THR A 22 0.255 7.495 -0.850 1.00 0.00 C ATOM 177 OG1 THR A 22 0.084 7.258 -2.241 1.00 0.00 O ATOM 178 CG2 THR A 22 1.750 7.558 -0.524 1.00 0.00 C ATOM 0 H THR A 22 -2.031 6.674 -1.382 1.00 0.00 H new ATOM 0 HA THR A 22 0.204 5.446 -0.137 1.00 0.00 H new ATOM 0 HB THR A 22 -0.218 8.440 -0.583 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.850 7.421 -2.488 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.212 8.367 -1.090 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.882 7.739 0.543 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.221 6.612 -0.792 1.00 0.00 H new ATOM 186 N LEU A 23 -1.382 7.675 1.719 1.00 0.00 N ATOM 187 CA LEU A 23 -1.534 8.151 3.123 1.00 0.00 C ATOM 188 C LEU A 23 -1.974 6.993 4.015 1.00 0.00 C ATOM 189 O LEU A 23 -1.537 6.870 5.146 1.00 0.00 O ATOM 190 CB LEU A 23 -2.590 9.269 3.174 1.00 0.00 C ATOM 191 CG LEU A 23 -2.720 9.797 4.612 1.00 0.00 C ATOM 192 CD1 LEU A 23 -1.375 10.379 5.081 1.00 0.00 C ATOM 193 CD2 LEU A 23 -3.797 10.883 4.660 1.00 0.00 C ATOM 0 H LEU A 23 -2.021 8.102 1.049 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.578 8.536 3.479 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.307 10.080 2.503 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.551 8.890 2.828 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.001 8.977 5.272 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.475 10.751 6.101 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.612 9.601 5.052 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.084 11.198 4.423 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.890 11.258 5.679 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.518 11.701 3.996 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.751 10.464 4.339 1.00 0.00 H new ATOM 205 N TYR A 24 -2.858 6.173 3.517 1.00 0.00 N ATOM 206 CA TYR A 24 -3.374 5.033 4.319 1.00 0.00 C ATOM 207 C TYR A 24 -2.214 4.133 4.732 1.00 0.00 C ATOM 208 O TYR A 24 -2.093 3.756 5.870 1.00 0.00 O ATOM 209 CB TYR A 24 -4.354 4.219 3.463 1.00 0.00 C ATOM 210 CG TYR A 24 -4.801 2.994 4.230 1.00 0.00 C ATOM 211 CD1 TYR A 24 -4.076 1.799 4.128 1.00 0.00 C ATOM 212 CD2 TYR A 24 -5.938 3.056 5.042 1.00 0.00 C ATOM 213 CE1 TYR A 24 -4.488 0.666 4.842 1.00 0.00 C ATOM 214 CE2 TYR A 24 -6.352 1.923 5.755 1.00 0.00 C ATOM 215 CZ TYR A 24 -5.626 0.729 5.657 1.00 0.00 C ATOM 216 OH TYR A 24 -6.028 -0.382 6.368 1.00 0.00 O ATOM 0 H TYR A 24 -3.248 6.247 2.577 1.00 0.00 H new ATOM 0 HA TYR A 24 -3.878 5.413 5.207 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -5.217 4.830 3.199 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -3.877 3.922 2.529 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -3.199 1.751 3.499 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -6.497 3.977 5.119 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -3.929 -0.255 4.764 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -7.231 1.970 6.380 1.00 0.00 H new ATOM 0 HH TYR A 24 -6.413 -1.042 5.754 1.00 0.00 H new ATOM 226 N LEU A 25 -1.370 3.786 3.806 1.00 0.00 N ATOM 227 CA LEU A 25 -0.222 2.888 4.120 1.00 0.00 C ATOM 228 C LEU A 25 0.719 3.568 5.106 1.00 0.00 C ATOM 229 O LEU A 25 1.259 2.944 5.995 1.00 0.00 O ATOM 230 CB LEU A 25 0.546 2.583 2.826 1.00 0.00 C ATOM 231 CG LEU A 25 -0.342 1.748 1.892 1.00 0.00 C ATOM 232 CD1 LEU A 25 0.285 1.703 0.492 1.00 0.00 C ATOM 233 CD2 LEU A 25 -0.489 0.314 2.440 1.00 0.00 C ATOM 0 H LEU A 25 -1.425 4.088 2.833 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.600 1.965 4.561 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.837 3.512 2.335 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.464 2.041 3.054 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.329 2.208 1.835 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.346 1.110 -0.170 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.372 2.716 0.100 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.275 1.251 0.551 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.121 -0.269 1.770 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.494 -0.152 2.509 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.944 0.348 3.430 1.00 0.00 H new ATOM 245 N LYS A 26 0.947 4.833 4.923 1.00 0.00 N ATOM 246 CA LYS A 26 1.885 5.570 5.812 1.00 0.00 C ATOM 247 C LYS A 26 1.566 5.319 7.282 1.00 0.00 C ATOM 248 O LYS A 26 2.391 4.831 8.026 1.00 0.00 O ATOM 249 CB LYS A 26 1.773 7.087 5.535 1.00 0.00 C ATOM 250 CG LYS A 26 2.598 7.456 4.300 1.00 0.00 C ATOM 251 CD LYS A 26 2.546 8.971 4.073 1.00 0.00 C ATOM 252 CE LYS A 26 3.424 9.336 2.874 1.00 0.00 C ATOM 253 NZ LYS A 26 3.393 10.811 2.659 1.00 0.00 N ATOM 0 H LYS A 26 0.520 5.396 4.188 1.00 0.00 H new ATOM 0 HA LYS A 26 2.894 5.215 5.605 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.729 7.361 5.380 1.00 0.00 H new ATOM 0 HB3 LYS A 26 2.125 7.650 6.399 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.631 7.134 4.432 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.211 6.935 3.424 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.518 9.288 3.895 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.892 9.495 4.964 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.448 9.005 3.047 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.069 8.821 1.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.991 11.056 1.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.415 11.115 2.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.751 11.293 3.508 1.00 0.00 H new ATOM 267 N HIS A 27 0.395 5.699 7.704 1.00 0.00 N ATOM 268 CA HIS A 27 0.022 5.538 9.139 1.00 0.00 C ATOM 269 C HIS A 27 -0.201 4.065 9.472 1.00 0.00 C ATOM 270 O HIS A 27 0.092 3.614 10.559 1.00 0.00 O ATOM 271 CB HIS A 27 -1.262 6.337 9.410 1.00 0.00 C ATOM 272 CG HIS A 27 -2.454 5.609 8.848 1.00 0.00 C ATOM 273 ND1 HIS A 27 -3.051 4.551 9.513 1.00 0.00 N ATOM 274 CD2 HIS A 27 -3.158 5.766 7.684 1.00 0.00 C ATOM 275 CE1 HIS A 27 -4.067 4.115 8.749 1.00 0.00 C ATOM 276 NE2 HIS A 27 -4.177 4.819 7.620 1.00 0.00 N ATOM 0 H HIS A 27 -0.326 6.117 7.115 1.00 0.00 H new ATOM 0 HA HIS A 27 0.831 5.911 9.767 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -1.388 6.484 10.483 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -1.185 7.327 8.960 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -2.771 4.172 10.418 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -2.954 6.511 6.930 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -4.716 3.294 9.016 1.00 0.00 H new ATOM 284 N ASN A 28 -0.747 3.332 8.546 1.00 0.00 N ATOM 285 CA ASN A 28 -1.024 1.889 8.789 1.00 0.00 C ATOM 286 C ASN A 28 0.288 1.153 8.986 1.00 0.00 C ATOM 287 O ASN A 28 0.395 0.286 9.828 1.00 0.00 O ATOM 288 CB ASN A 28 -1.756 1.296 7.572 1.00 0.00 C ATOM 289 CG ASN A 28 -3.251 1.590 7.678 1.00 0.00 C ATOM 290 OD1 ASN A 28 -3.901 1.128 8.591 1.00 0.00 O ATOM 291 ND2 ASN A 28 -3.829 2.340 6.785 1.00 0.00 N ATOM 0 H ASN A 28 -1.016 3.672 7.623 1.00 0.00 H new ATOM 0 HA ASN A 28 -1.645 1.783 9.679 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.356 1.722 6.652 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -1.590 0.220 7.524 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -4.827 2.538 6.854 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -3.284 2.730 6.016 1.00 0.00 H new ATOM 298 N ILE A 29 1.281 1.482 8.197 1.00 0.00 N ATOM 299 CA ILE A 29 2.596 0.796 8.310 1.00 0.00 C ATOM 300 C ILE A 29 3.721 1.839 8.466 1.00 0.00 C ATOM 301 O ILE A 29 3.985 2.611 7.563 1.00 0.00 O ATOM 302 CB ILE A 29 2.855 -0.045 7.069 1.00 0.00 C ATOM 303 CG1 ILE A 29 1.737 -1.085 6.934 1.00 0.00 C ATOM 304 CG2 ILE A 29 4.203 -0.760 7.226 1.00 0.00 C ATOM 305 CD1 ILE A 29 1.788 -1.714 5.543 1.00 0.00 C ATOM 0 H ILE A 29 1.232 2.202 7.476 1.00 0.00 H new ATOM 0 HA ILE A 29 2.579 0.148 9.186 1.00 0.00 H new ATOM 0 HB ILE A 29 2.877 0.588 6.182 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.849 -1.855 7.697 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.767 -0.614 7.096 1.00 0.00 H new ATOM 0 HG21 ILE A 29 4.399 -1.366 6.341 1.00 0.00 H new ATOM 0 HG22 ILE A 29 4.996 -0.021 7.342 1.00 0.00 H new ATOM 0 HG23 ILE A 29 4.174 -1.402 8.106 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.993 -2.453 5.449 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.655 -0.939 4.788 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.753 -2.199 5.398 1.00 0.00 H new ATOM 317 N PRO A 30 4.377 1.866 9.601 1.00 0.00 N ATOM 318 CA PRO A 30 5.484 2.826 9.866 1.00 0.00 C ATOM 319 C PRO A 30 6.740 2.446 9.084 1.00 0.00 C ATOM 320 O PRO A 30 7.658 3.223 8.944 1.00 0.00 O ATOM 321 CB PRO A 30 5.712 2.701 11.381 1.00 0.00 C ATOM 322 CG PRO A 30 5.255 1.321 11.733 1.00 0.00 C ATOM 323 CD PRO A 30 4.150 0.970 10.751 1.00 0.00 C ATOM 0 HA PRO A 30 5.247 3.844 9.557 1.00 0.00 H new ATOM 0 HB2 PRO A 30 6.762 2.845 11.634 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.146 3.455 11.928 1.00 0.00 H new ATOM 0 HG2 PRO A 30 6.078 0.610 11.662 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.889 1.283 12.759 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.201 -0.077 10.454 1.00 0.00 H new ATOM 0 HD3 PRO A 30 3.165 1.129 11.189 1.00 0.00 H new ATOM 331 N ASP A 31 6.781 1.240 8.591 1.00 0.00 N ATOM 332 CA ASP A 31 7.970 0.765 7.820 1.00 0.00 C ATOM 333 C ASP A 31 7.737 1.049 6.336 1.00 0.00 C ATOM 334 O ASP A 31 8.516 0.665 5.490 1.00 0.00 O ATOM 335 CB ASP A 31 8.147 -0.745 8.039 1.00 0.00 C ATOM 336 CG ASP A 31 8.544 -1.007 9.495 1.00 0.00 C ATOM 337 OD1 ASP A 31 8.949 -0.066 10.157 1.00 0.00 O ATOM 338 OD2 ASP A 31 8.437 -2.146 9.922 1.00 0.00 O ATOM 0 H ASP A 31 6.034 0.553 8.689 1.00 0.00 H new ATOM 0 HA ASP A 31 8.868 1.282 8.157 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.220 -1.268 7.804 1.00 0.00 H new ATOM 0 HB3 ASP A 31 8.912 -1.134 7.367 1.00 0.00 H new ATOM 343 N PHE A 32 6.649 1.706 6.023 1.00 0.00 N ATOM 344 CA PHE A 32 6.324 2.014 4.600 1.00 0.00 C ATOM 345 C PHE A 32 7.471 2.775 3.952 1.00 0.00 C ATOM 346 O PHE A 32 7.952 3.764 4.462 1.00 0.00 O ATOM 347 CB PHE A 32 5.049 2.861 4.547 1.00 0.00 C ATOM 348 CG PHE A 32 4.732 3.204 3.109 1.00 0.00 C ATOM 349 CD1 PHE A 32 4.299 2.202 2.235 1.00 0.00 C ATOM 350 CD2 PHE A 32 4.871 4.519 2.650 1.00 0.00 C ATOM 351 CE1 PHE A 32 4.004 2.511 0.905 1.00 0.00 C ATOM 352 CE2 PHE A 32 4.574 4.830 1.319 1.00 0.00 C ATOM 353 CZ PHE A 32 4.142 3.825 0.446 1.00 0.00 C ATOM 0 H PHE A 32 5.966 2.045 6.701 1.00 0.00 H new ATOM 0 HA PHE A 32 6.171 1.082 4.057 1.00 0.00 H new ATOM 0 HB2 PHE A 32 4.218 2.315 4.994 1.00 0.00 H new ATOM 0 HB3 PHE A 32 5.181 3.773 5.129 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.192 1.187 2.589 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.208 5.293 3.323 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.670 1.736 0.232 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.678 5.845 0.965 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.915 4.064 -0.582 1.00 0.00 H new ATOM 363 N ASN A 33 7.904 2.301 2.819 1.00 0.00 N ATOM 364 CA ASN A 33 9.025 2.954 2.082 1.00 0.00 C ATOM 365 C ASN A 33 8.518 3.429 0.724 1.00 0.00 C ATOM 366 O ASN A 33 8.571 4.598 0.403 1.00 0.00 O ATOM 367 CB ASN A 33 10.144 1.930 1.856 1.00 0.00 C ATOM 368 CG ASN A 33 10.860 1.648 3.178 1.00 0.00 C ATOM 369 OD1 ASN A 33 10.759 2.419 4.109 1.00 0.00 O ATOM 370 ND2 ASN A 33 11.582 0.567 3.300 1.00 0.00 N ATOM 0 H ASN A 33 7.522 1.473 2.362 1.00 0.00 H new ATOM 0 HA ASN A 33 9.401 3.798 2.660 1.00 0.00 H new ATOM 0 HB2 ASN A 33 9.729 1.007 1.452 1.00 0.00 H new ATOM 0 HB3 ASN A 33 10.854 2.309 1.121 1.00 0.00 H new ATOM 0 HD21 ASN A 33 12.061 0.370 4.179 1.00 0.00 H new ATOM 0 HD22 ASN A 33 11.667 -0.081 2.517 1.00 0.00 H new ATOM 377 N THR A 34 8.035 2.521 -0.084 1.00 0.00 N ATOM 378 CA THR A 34 7.535 2.897 -1.441 1.00 0.00 C ATOM 379 C THR A 34 6.360 2.005 -1.835 1.00 0.00 C ATOM 380 O THR A 34 6.081 1.001 -1.213 1.00 0.00 O ATOM 381 CB THR A 34 8.666 2.734 -2.460 1.00 0.00 C ATOM 382 OG1 THR A 34 8.159 2.961 -3.768 1.00 0.00 O ATOM 383 CG2 THR A 34 9.254 1.320 -2.378 1.00 0.00 C ATOM 0 H THR A 34 7.965 1.528 0.139 1.00 0.00 H new ATOM 0 HA THR A 34 7.201 3.934 -1.424 1.00 0.00 H new ATOM 0 HB THR A 34 9.451 3.457 -2.238 1.00 0.00 H new ATOM 0 HG1 THR A 34 7.844 2.115 -4.148 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.057 1.217 -3.108 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.649 1.148 -1.377 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.474 0.589 -2.591 1.00 0.00 H new ATOM 391 N VAL A 35 5.666 2.385 -2.874 1.00 0.00 N ATOM 392 CA VAL A 35 4.488 1.597 -3.348 1.00 0.00 C ATOM 393 C VAL A 35 4.579 1.400 -4.859 1.00 0.00 C ATOM 394 O VAL A 35 4.851 2.318 -5.605 1.00 0.00 O ATOM 395 CB VAL A 35 3.200 2.353 -2.995 1.00 0.00 C ATOM 396 CG1 VAL A 35 3.292 3.811 -3.463 1.00 0.00 C ATOM 397 CG2 VAL A 35 2.001 1.678 -3.670 1.00 0.00 C ATOM 0 H VAL A 35 5.868 3.220 -3.423 1.00 0.00 H new ATOM 0 HA VAL A 35 4.479 0.621 -2.863 1.00 0.00 H new ATOM 0 HB VAL A 35 3.070 2.334 -1.913 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.371 4.335 -3.206 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.135 4.298 -2.973 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.435 3.838 -4.543 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.089 2.218 -3.416 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.139 1.687 -4.751 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.921 0.648 -3.323 1.00 0.00 H new ATOM 407 N THR A 36 4.338 0.195 -5.306 1.00 0.00 N ATOM 408 CA THR A 36 4.389 -0.113 -6.769 1.00 0.00 C ATOM 409 C THR A 36 2.997 -0.519 -7.245 1.00 0.00 C ATOM 410 O THR A 36 2.517 -1.600 -6.968 1.00 0.00 O ATOM 411 CB THR A 36 5.376 -1.258 -7.013 1.00 0.00 C ATOM 412 OG1 THR A 36 6.685 -0.828 -6.667 1.00 0.00 O ATOM 413 CG2 THR A 36 5.342 -1.655 -8.491 1.00 0.00 C ATOM 0 H THR A 36 4.105 -0.601 -4.712 1.00 0.00 H new ATOM 0 HA THR A 36 4.718 0.767 -7.321 1.00 0.00 H new ATOM 0 HB THR A 36 5.099 -2.117 -6.402 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.210 -1.595 -6.357 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.045 -2.470 -8.665 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.336 -1.980 -8.757 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.621 -0.798 -9.104 1.00 0.00 H new ATOM 421 N PHE A 37 2.351 0.363 -7.954 1.00 0.00 N ATOM 422 CA PHE A 37 0.982 0.078 -8.467 1.00 0.00 C ATOM 423 C PHE A 37 1.071 -0.770 -9.726 1.00 0.00 C ATOM 424 O PHE A 37 1.926 -0.574 -10.563 1.00 0.00 O ATOM 425 CB PHE A 37 0.272 1.399 -8.776 1.00 0.00 C ATOM 426 CG PHE A 37 0.271 2.259 -7.534 1.00 0.00 C ATOM 427 CD1 PHE A 37 -0.541 1.913 -6.448 1.00 0.00 C ATOM 428 CD2 PHE A 37 1.086 3.396 -7.465 1.00 0.00 C ATOM 429 CE1 PHE A 37 -0.541 2.705 -5.294 1.00 0.00 C ATOM 430 CE2 PHE A 37 1.087 4.188 -6.308 1.00 0.00 C ATOM 431 CZ PHE A 37 0.273 3.841 -5.222 1.00 0.00 C ATOM 0 H PHE A 37 2.718 1.281 -8.203 1.00 0.00 H new ATOM 0 HA PHE A 37 0.416 -0.468 -7.712 1.00 0.00 H new ATOM 0 HB2 PHE A 37 0.777 1.916 -9.592 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.750 1.209 -9.104 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.168 1.035 -6.500 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.713 3.663 -8.303 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.170 2.439 -4.458 1.00 0.00 H new ATOM 0 HE2 PHE A 37 1.715 5.065 -6.254 1.00 0.00 H new ATOM 0 HZ PHE A 37 0.274 4.450 -4.330 1.00 0.00 H new ATOM 441 N THR A 38 0.184 -1.717 -9.854 1.00 0.00 N ATOM 442 CA THR A 38 0.178 -2.616 -11.049 1.00 0.00 C ATOM 443 C THR A 38 -1.161 -2.474 -11.775 1.00 0.00 C ATOM 444 O THR A 38 -1.233 -2.550 -12.982 1.00 0.00 O ATOM 445 CB THR A 38 0.370 -4.064 -10.578 1.00 0.00 C ATOM 446 OG1 THR A 38 -0.684 -4.438 -9.700 1.00 0.00 O ATOM 447 CG2 THR A 38 1.708 -4.184 -9.845 1.00 0.00 C ATOM 0 H THR A 38 -0.549 -1.911 -9.172 1.00 0.00 H new ATOM 0 HA THR A 38 0.984 -2.346 -11.731 1.00 0.00 H new ATOM 0 HB THR A 38 0.361 -4.725 -11.445 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.116 -3.633 -9.345 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.848 -5.211 -9.509 1.00 0.00 H new ATOM 0 HG22 THR A 38 2.519 -3.910 -10.520 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.712 -3.517 -8.983 1.00 0.00 H new ATOM 455 N ASN A 39 -2.222 -2.257 -11.038 1.00 0.00 N ATOM 456 CA ASN A 39 -3.569 -2.096 -11.664 1.00 0.00 C ATOM 457 C ASN A 39 -3.866 -3.289 -12.568 1.00 0.00 C ATOM 458 O ASN A 39 -3.696 -3.234 -13.766 1.00 0.00 O ATOM 459 CB ASN A 39 -3.612 -0.800 -12.474 1.00 0.00 C ATOM 460 CG ASN A 39 -3.538 0.399 -11.527 1.00 0.00 C ATOM 461 OD1 ASN A 39 -3.981 0.328 -10.397 1.00 0.00 O ATOM 462 ND2 ASN A 39 -2.991 1.507 -11.944 1.00 0.00 N ATOM 0 H ASN A 39 -2.211 -2.184 -10.021 1.00 0.00 H new ATOM 0 HA ASN A 39 -4.325 -2.049 -10.881 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -2.781 -0.772 -13.179 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.529 -0.756 -13.061 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -2.935 2.314 -11.322 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -2.619 1.567 -12.892 1.00 0.00 H new ATOM 469 N GLU A 40 -4.315 -4.369 -11.992 1.00 0.00 N ATOM 470 CA GLU A 40 -4.638 -5.587 -12.795 1.00 0.00 C ATOM 471 C GLU A 40 -5.854 -6.278 -12.181 1.00 0.00 C ATOM 472 O GLU A 40 -6.022 -7.475 -12.281 1.00 0.00 O ATOM 473 CB GLU A 40 -3.437 -6.533 -12.791 1.00 0.00 C ATOM 474 CG GLU A 40 -3.110 -6.966 -11.356 1.00 0.00 C ATOM 475 CD GLU A 40 -1.869 -7.861 -11.359 1.00 0.00 C ATOM 476 OE1 GLU A 40 -0.792 -7.350 -11.619 1.00 0.00 O ATOM 477 OE2 GLU A 40 -2.016 -9.044 -11.096 1.00 0.00 O ATOM 0 H GLU A 40 -4.474 -4.463 -10.989 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.863 -5.307 -13.824 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.652 -7.409 -13.403 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -2.573 -6.038 -13.235 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.937 -6.089 -10.732 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.956 -7.502 -10.926 1.00 0.00 H new ATOM 484 N GLU A 41 -6.710 -5.522 -11.550 1.00 0.00 N ATOM 485 CA GLU A 41 -7.929 -6.117 -10.932 1.00 0.00 C ATOM 486 C GLU A 41 -8.979 -5.032 -10.699 1.00 0.00 C ATOM 487 O GLU A 41 -8.690 -3.950 -10.229 1.00 0.00 O ATOM 488 CB GLU A 41 -7.568 -6.784 -9.605 1.00 0.00 C ATOM 489 CG GLU A 41 -8.817 -7.447 -9.015 1.00 0.00 C ATOM 490 CD GLU A 41 -8.449 -8.182 -7.725 1.00 0.00 C ATOM 491 OE1 GLU A 41 -7.360 -7.956 -7.226 1.00 0.00 O ATOM 492 OE2 GLU A 41 -9.265 -8.959 -7.260 1.00 0.00 O ATOM 0 H GLU A 41 -6.617 -4.513 -11.435 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.338 -6.868 -11.608 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -6.786 -7.528 -9.759 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.172 -6.045 -8.909 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -9.579 -6.694 -8.812 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.244 -8.146 -9.734 1.00 0.00 H new ATOM 499 N PHE A 42 -10.207 -5.337 -11.030 1.00 0.00 N ATOM 500 CA PHE A 42 -11.330 -4.365 -10.851 1.00 0.00 C ATOM 501 C PHE A 42 -12.423 -4.987 -9.987 1.00 0.00 C ATOM 502 O PHE A 42 -12.692 -6.172 -10.051 1.00 0.00 O ATOM 503 CB PHE A 42 -11.915 -3.993 -12.217 1.00 0.00 C ATOM 504 CG PHE A 42 -12.465 -5.224 -12.911 1.00 0.00 C ATOM 505 CD1 PHE A 42 -13.792 -5.625 -12.691 1.00 0.00 C ATOM 506 CD2 PHE A 42 -11.650 -5.960 -13.783 1.00 0.00 C ATOM 507 CE1 PHE A 42 -14.299 -6.760 -13.341 1.00 0.00 C ATOM 508 CE2 PHE A 42 -12.160 -7.094 -14.431 1.00 0.00 C ATOM 509 CZ PHE A 42 -13.483 -7.494 -14.210 1.00 0.00 C ATOM 0 H PHE A 42 -10.485 -6.236 -11.424 1.00 0.00 H new ATOM 0 HA PHE A 42 -10.948 -3.469 -10.361 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -12.707 -3.255 -12.091 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -11.145 -3.533 -12.836 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -14.423 -5.060 -12.021 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -10.629 -5.653 -13.956 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -15.320 -7.068 -13.171 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -11.531 -7.660 -15.102 1.00 0.00 H new ATOM 0 HZ PHE A 42 -13.874 -8.368 -14.709 1.00 0.00 H new ATOM 519 N ASN A 43 -13.055 -4.182 -9.173 1.00 0.00 N ATOM 520 CA ASN A 43 -14.138 -4.691 -8.285 1.00 0.00 C ATOM 521 C ASN A 43 -15.506 -4.395 -8.917 1.00 0.00 C ATOM 522 O ASN A 43 -15.672 -3.421 -9.627 1.00 0.00 O ATOM 523 CB ASN A 43 -14.054 -3.995 -6.912 1.00 0.00 C ATOM 524 CG ASN A 43 -12.959 -4.652 -6.068 1.00 0.00 C ATOM 525 OD1 ASN A 43 -12.451 -5.696 -6.420 1.00 0.00 O ATOM 526 ND2 ASN A 43 -12.576 -4.083 -4.960 1.00 0.00 N ATOM 0 H ASN A 43 -12.864 -3.184 -9.086 1.00 0.00 H new ATOM 0 HA ASN A 43 -14.018 -5.767 -8.157 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -13.839 -2.935 -7.043 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -15.013 -4.064 -6.399 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.850 -4.515 -4.389 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -13.003 -3.205 -4.663 1.00 0.00 H new ATOM 533 N PRO A 44 -16.476 -5.230 -8.651 1.00 0.00 N ATOM 534 CA PRO A 44 -17.857 -5.066 -9.191 1.00 0.00 C ATOM 535 C PRO A 44 -18.556 -3.850 -8.582 1.00 0.00 C ATOM 536 O PRO A 44 -19.510 -3.334 -9.121 1.00 0.00 O ATOM 537 CB PRO A 44 -18.562 -6.369 -8.771 1.00 0.00 C ATOM 538 CG PRO A 44 -17.812 -6.844 -7.569 1.00 0.00 C ATOM 539 CD PRO A 44 -16.368 -6.424 -7.791 1.00 0.00 C ATOM 0 HA PRO A 44 -17.868 -4.898 -10.268 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -19.612 -6.192 -8.537 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -18.534 -7.108 -9.571 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -18.213 -6.401 -6.657 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -17.893 -7.926 -7.460 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.869 -6.195 -6.849 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -15.792 -7.213 -8.273 1.00 0.00 H new ATOM 547 N ILE A 45 -18.086 -3.410 -7.446 1.00 0.00 N ATOM 548 CA ILE A 45 -18.705 -2.237 -6.758 1.00 0.00 C ATOM 549 C ILE A 45 -17.890 -0.983 -7.069 1.00 0.00 C ATOM 550 O ILE A 45 -18.254 0.112 -6.695 1.00 0.00 O ATOM 551 CB ILE A 45 -18.718 -2.489 -5.244 1.00 0.00 C ATOM 552 CG1 ILE A 45 -17.292 -2.767 -4.740 1.00 0.00 C ATOM 553 CG2 ILE A 45 -19.611 -3.693 -4.935 1.00 0.00 C ATOM 554 CD1 ILE A 45 -17.297 -2.855 -3.211 1.00 0.00 C ATOM 0 H ILE A 45 -17.289 -3.818 -6.958 1.00 0.00 H new ATOM 0 HA ILE A 45 -19.727 -2.097 -7.109 1.00 0.00 H new ATOM 0 HB ILE A 45 -19.106 -1.604 -4.741 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -16.919 -3.698 -5.167 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -16.619 -1.975 -5.067 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -19.621 -3.872 -3.860 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -20.626 -3.491 -5.278 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -19.224 -4.574 -5.446 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -16.286 -3.052 -2.855 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -17.652 -1.913 -2.793 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -17.957 -3.663 -2.895 1.00 0.00 H new ATOM 566 N GLY A 46 -16.787 -1.137 -7.753 1.00 0.00 N ATOM 567 CA GLY A 46 -15.946 0.050 -8.095 1.00 0.00 C ATOM 568 C GLY A 46 -14.571 -0.390 -8.604 1.00 0.00 C ATOM 569 O GLY A 46 -14.329 -1.546 -8.889 1.00 0.00 O ATOM 0 H GLY A 46 -16.432 -2.032 -8.090 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -16.446 0.649 -8.856 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -15.828 0.684 -7.216 1.00 0.00 H new ATOM 573 N ILE A 47 -13.672 0.551 -8.722 1.00 0.00 N ATOM 574 CA ILE A 47 -12.299 0.246 -9.212 1.00 0.00 C ATOM 575 C ILE A 47 -11.450 -0.300 -8.071 1.00 0.00 C ATOM 576 O ILE A 47 -11.721 -0.077 -6.903 1.00 0.00 O ATOM 577 CB ILE A 47 -11.650 1.520 -9.777 1.00 0.00 C ATOM 578 CG1 ILE A 47 -11.646 2.632 -8.716 1.00 0.00 C ATOM 579 CG2 ILE A 47 -12.431 1.990 -11.005 1.00 0.00 C ATOM 580 CD1 ILE A 47 -10.846 3.832 -9.236 1.00 0.00 C ATOM 0 H ILE A 47 -13.835 1.532 -8.496 1.00 0.00 H new ATOM 0 HA ILE A 47 -12.363 -0.504 -10.001 1.00 0.00 H new ATOM 0 HB ILE A 47 -10.621 1.296 -10.059 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -12.668 2.934 -8.487 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.207 2.263 -7.789 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -11.971 2.893 -11.405 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -12.418 1.209 -11.765 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -13.462 2.203 -10.721 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -10.843 4.621 -8.484 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -9.821 3.524 -9.443 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.304 4.206 -10.152 1.00 0.00 H new ATOM 592 N SER A 48 -10.420 -1.022 -8.416 1.00 0.00 N ATOM 593 CA SER A 48 -9.520 -1.614 -7.387 1.00 0.00 C ATOM 594 C SER A 48 -8.069 -1.479 -7.831 1.00 0.00 C ATOM 595 O SER A 48 -7.745 -1.611 -8.992 1.00 0.00 O ATOM 596 CB SER A 48 -9.865 -3.089 -7.203 1.00 0.00 C ATOM 597 OG SER A 48 -9.004 -3.650 -6.222 1.00 0.00 O ATOM 0 H SER A 48 -10.161 -1.230 -9.380 1.00 0.00 H new ATOM 0 HA SER A 48 -9.654 -1.087 -6.442 1.00 0.00 H new ATOM 0 HB2 SER A 48 -10.905 -3.196 -6.896 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.755 -3.621 -8.148 1.00 0.00 H new ATOM 0 HG SER A 48 -9.222 -4.597 -6.098 1.00 0.00 H new ATOM 603 N ILE A 49 -7.196 -1.207 -6.898 1.00 0.00 N ATOM 604 CA ILE A 49 -5.745 -1.042 -7.222 1.00 0.00 C ATOM 605 C ILE A 49 -4.941 -2.178 -6.602 1.00 0.00 C ATOM 606 O ILE A 49 -5.039 -2.466 -5.425 1.00 0.00 O ATOM 607 CB ILE A 49 -5.256 0.298 -6.667 1.00 0.00 C ATOM 608 CG1 ILE A 49 -6.003 1.431 -7.373 1.00 0.00 C ATOM 609 CG2 ILE A 49 -3.754 0.437 -6.927 1.00 0.00 C ATOM 610 CD1 ILE A 49 -5.743 2.754 -6.649 1.00 0.00 C ATOM 0 H ILE A 49 -7.428 -1.090 -5.912 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.610 -1.063 -8.303 1.00 0.00 H new ATOM 0 HB ILE A 49 -5.443 0.346 -5.594 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -5.676 1.503 -8.410 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.072 1.219 -7.390 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.403 1.391 -6.533 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.223 -0.377 -6.434 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.565 0.396 -8.000 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -6.277 3.557 -7.156 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.092 2.680 -5.619 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.674 2.968 -6.656 1.00 0.00 H new ATOM 622 N ASP A 50 -4.148 -2.828 -7.409 1.00 0.00 N ATOM 623 CA ASP A 50 -3.311 -3.967 -6.924 1.00 0.00 C ATOM 624 C ASP A 50 -1.831 -3.635 -7.089 1.00 0.00 C ATOM 625 O ASP A 50 -1.433 -2.886 -7.967 1.00 0.00 O ATOM 626 CB ASP A 50 -3.634 -5.223 -7.742 1.00 0.00 C ATOM 627 CG ASP A 50 -5.016 -5.748 -7.355 1.00 0.00 C ATOM 628 OD1 ASP A 50 -5.735 -5.027 -6.685 1.00 0.00 O ATOM 629 OD2 ASP A 50 -5.327 -6.864 -7.728 1.00 0.00 O ATOM 0 H ASP A 50 -4.042 -2.616 -8.401 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.528 -4.142 -5.870 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.607 -4.992 -8.807 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -2.880 -5.989 -7.563 1.00 0.00 H new ATOM 634 N GLY A 51 -1.019 -4.198 -6.237 1.00 0.00 N ATOM 635 CA GLY A 51 0.448 -3.951 -6.303 1.00 0.00 C ATOM 636 C GLY A 51 1.111 -4.406 -5.002 1.00 0.00 C ATOM 637 O GLY A 51 0.603 -5.240 -4.280 1.00 0.00 O ATOM 0 H GLY A 51 -1.314 -4.826 -5.489 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.878 -4.488 -7.148 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.640 -2.891 -6.468 1.00 0.00 H new ATOM 641 N TYR A 52 2.257 -3.856 -4.706 1.00 0.00 N ATOM 642 CA TYR A 52 2.985 -4.239 -3.460 1.00 0.00 C ATOM 643 C TYR A 52 3.818 -3.069 -2.942 1.00 0.00 C ATOM 644 O TYR A 52 4.022 -2.077 -3.613 1.00 0.00 O ATOM 645 CB TYR A 52 3.901 -5.430 -3.742 1.00 0.00 C ATOM 646 CG TYR A 52 4.725 -5.172 -4.983 1.00 0.00 C ATOM 647 CD1 TYR A 52 5.933 -4.468 -4.896 1.00 0.00 C ATOM 648 CD2 TYR A 52 4.280 -5.643 -6.225 1.00 0.00 C ATOM 649 CE1 TYR A 52 6.693 -4.236 -6.051 1.00 0.00 C ATOM 650 CE2 TYR A 52 5.041 -5.411 -7.378 1.00 0.00 C ATOM 651 CZ TYR A 52 6.247 -4.707 -7.291 1.00 0.00 C ATOM 652 OH TYR A 52 6.995 -4.477 -8.427 1.00 0.00 O ATOM 0 H TYR A 52 2.725 -3.152 -5.278 1.00 0.00 H new ATOM 0 HA TYR A 52 2.251 -4.511 -2.701 1.00 0.00 H new ATOM 0 HB2 TYR A 52 4.558 -5.603 -2.890 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.305 -6.333 -3.873 1.00 0.00 H new ATOM 0 HD1 TYR A 52 6.279 -4.104 -3.940 1.00 0.00 H new ATOM 0 HD2 TYR A 52 3.349 -6.186 -6.294 1.00 0.00 H new ATOM 0 HE1 TYR A 52 7.624 -3.693 -5.984 1.00 0.00 H new ATOM 0 HE2 TYR A 52 4.697 -5.776 -8.334 1.00 0.00 H new ATOM 0 HH TYR A 52 6.400 -4.415 -9.203 1.00 0.00 H new ATOM 662 N ILE A 53 4.284 -3.187 -1.727 1.00 0.00 N ATOM 663 CA ILE A 53 5.101 -2.100 -1.096 1.00 0.00 C ATOM 664 C ILE A 53 6.473 -2.637 -0.683 1.00 0.00 C ATOM 665 O ILE A 53 6.714 -3.825 -0.666 1.00 0.00 O ATOM 666 CB ILE A 53 4.374 -1.576 0.147 1.00 0.00 C ATOM 667 CG1 ILE A 53 4.186 -2.705 1.180 1.00 0.00 C ATOM 668 CG2 ILE A 53 3.001 -1.027 -0.252 1.00 0.00 C ATOM 669 CD1 ILE A 53 3.590 -2.132 2.472 1.00 0.00 C ATOM 0 H ILE A 53 4.132 -4.002 -1.133 1.00 0.00 H new ATOM 0 HA ILE A 53 5.236 -1.296 -1.819 1.00 0.00 H new ATOM 0 HB ILE A 53 4.976 -0.784 0.592 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.529 -3.475 0.776 1.00 0.00 H new ATOM 0 HG13 ILE A 53 5.144 -3.181 1.390 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.486 -0.655 0.634 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.128 -0.213 -0.966 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.410 -1.821 -0.708 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.459 -2.934 3.199 1.00 0.00 H new ATOM 0 HD12 ILE A 53 4.263 -1.378 2.880 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.624 -1.676 2.256 1.00 0.00 H new ATOM 681 N ASN A 54 7.362 -1.740 -0.351 1.00 0.00 N ATOM 682 CA ASN A 54 8.742 -2.119 0.078 1.00 0.00 C ATOM 683 C ASN A 54 9.429 -2.934 -1.026 1.00 0.00 C ATOM 684 O ASN A 54 10.227 -3.806 -0.764 1.00 0.00 O ATOM 685 CB ASN A 54 8.682 -2.926 1.377 1.00 0.00 C ATOM 686 CG ASN A 54 8.281 -2.006 2.535 1.00 0.00 C ATOM 687 OD1 ASN A 54 9.057 -1.179 2.966 1.00 0.00 O ATOM 688 ND2 ASN A 54 7.091 -2.120 3.061 1.00 0.00 N ATOM 0 H ASN A 54 7.186 -0.735 -0.359 1.00 0.00 H new ATOM 0 HA ASN A 54 9.322 -1.213 0.256 1.00 0.00 H new ATOM 0 HB2 ASN A 54 7.963 -3.739 1.279 1.00 0.00 H new ATOM 0 HB3 ASN A 54 9.652 -3.381 1.580 1.00 0.00 H new ATOM 0 HD21 ASN A 54 6.815 -1.514 3.834 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.438 -2.815 2.699 1.00 0.00 H new ATOM 695 N ASN A 55 9.124 -2.622 -2.260 1.00 0.00 N ATOM 696 CA ASN A 55 9.743 -3.329 -3.425 1.00 0.00 C ATOM 697 C ASN A 55 9.806 -4.828 -3.150 1.00 0.00 C ATOM 698 O ASN A 55 10.724 -5.499 -3.563 1.00 0.00 O ATOM 699 CB ASN A 55 11.150 -2.775 -3.676 1.00 0.00 C ATOM 700 CG ASN A 55 11.586 -3.097 -5.110 1.00 0.00 C ATOM 701 OD1 ASN A 55 11.925 -4.220 -5.416 1.00 0.00 O ATOM 702 ND2 ASN A 55 11.590 -2.147 -6.005 1.00 0.00 N ATOM 0 H ASN A 55 8.459 -1.892 -2.515 1.00 0.00 H new ATOM 0 HA ASN A 55 9.133 -3.163 -4.313 1.00 0.00 H new ATOM 0 HB2 ASN A 55 11.160 -1.697 -3.516 1.00 0.00 H new ATOM 0 HB3 ASN A 55 11.854 -3.209 -2.966 1.00 0.00 H new ATOM 0 HD21 ASN A 55 11.878 -2.349 -6.962 1.00 0.00 H new ATOM 0 HD22 ASN A 55 11.305 -1.202 -5.747 1.00 0.00 H new ATOM 709 N ASP A 56 8.829 -5.352 -2.458 1.00 0.00 N ATOM 710 CA ASP A 56 8.807 -6.819 -2.144 1.00 0.00 C ATOM 711 C ASP A 56 7.611 -7.476 -2.837 1.00 0.00 C ATOM 712 O ASP A 56 6.473 -7.295 -2.454 1.00 0.00 O ATOM 713 CB ASP A 56 8.704 -7.007 -0.632 1.00 0.00 C ATOM 714 CG ASP A 56 10.033 -6.614 0.013 1.00 0.00 C ATOM 715 OD1 ASP A 56 11.006 -6.480 -0.713 1.00 0.00 O ATOM 716 OD2 ASP A 56 10.057 -6.454 1.221 1.00 0.00 O ATOM 0 H ASP A 56 8.036 -4.825 -2.092 1.00 0.00 H new ATOM 0 HA ASP A 56 9.723 -7.286 -2.504 1.00 0.00 H new ATOM 0 HB2 ASP A 56 7.896 -6.395 -0.231 1.00 0.00 H new ATOM 0 HB3 ASP A 56 8.464 -8.044 -0.398 1.00 0.00 H new ATOM 721 N LYS A 57 7.881 -8.239 -3.858 1.00 0.00 N ATOM 722 CA LYS A 57 6.792 -8.921 -4.618 1.00 0.00 C ATOM 723 C LYS A 57 5.981 -9.827 -3.685 1.00 0.00 C ATOM 724 O LYS A 57 4.785 -9.957 -3.827 1.00 0.00 O ATOM 725 CB LYS A 57 7.412 -9.764 -5.743 1.00 0.00 C ATOM 726 CG LYS A 57 8.009 -8.837 -6.810 1.00 0.00 C ATOM 727 CD LYS A 57 8.619 -9.675 -7.940 1.00 0.00 C ATOM 728 CE LYS A 57 9.155 -8.758 -9.051 1.00 0.00 C ATOM 729 NZ LYS A 57 10.259 -7.903 -8.522 1.00 0.00 N ATOM 0 H LYS A 57 8.823 -8.423 -4.205 1.00 0.00 H new ATOM 0 HA LYS A 57 6.127 -8.169 -5.043 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.186 -10.416 -5.338 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.654 -10.408 -6.189 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.236 -8.180 -7.208 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.772 -8.198 -6.365 1.00 0.00 H new ATOM 0 HD2 LYS A 57 9.426 -10.294 -7.548 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.868 -10.351 -8.348 1.00 0.00 H new ATOM 0 HE2 LYS A 57 9.517 -9.358 -9.886 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.351 -8.131 -9.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.770 -7.465 -9.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 9.861 -7.159 -7.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 10.916 -8.488 -7.968 1.00 0.00 H new ATOM 743 N ASN A 58 6.624 -10.462 -2.743 1.00 0.00 N ATOM 744 CA ASN A 58 5.896 -11.374 -1.805 1.00 0.00 C ATOM 745 C ASN A 58 4.871 -10.574 -0.994 1.00 0.00 C ATOM 746 O ASN A 58 3.800 -11.056 -0.696 1.00 0.00 O ATOM 747 CB ASN A 58 6.900 -12.029 -0.841 1.00 0.00 C ATOM 748 CG ASN A 58 7.671 -13.129 -1.573 1.00 0.00 C ATOM 749 OD1 ASN A 58 7.085 -13.954 -2.243 1.00 0.00 O ATOM 750 ND2 ASN A 58 8.971 -13.177 -1.473 1.00 0.00 N ATOM 0 H ASN A 58 7.628 -10.390 -2.579 1.00 0.00 H new ATOM 0 HA ASN A 58 5.383 -12.143 -2.382 1.00 0.00 H new ATOM 0 HB2 ASN A 58 7.592 -11.280 -0.457 1.00 0.00 H new ATOM 0 HB3 ASN A 58 6.375 -12.448 0.017 1.00 0.00 H new ATOM 0 HD21 ASN A 58 9.493 -13.907 -1.958 1.00 0.00 H new ATOM 0 HD22 ASN A 58 9.465 -12.484 -0.910 1.00 0.00 H new ATOM 757 N LEU A 59 5.200 -9.364 -0.621 1.00 0.00 N ATOM 758 CA LEU A 59 4.254 -8.535 0.192 1.00 0.00 C ATOM 759 C LEU A 59 3.231 -7.869 -0.728 1.00 0.00 C ATOM 760 O LEU A 59 3.383 -6.733 -1.129 1.00 0.00 O ATOM 761 CB LEU A 59 5.039 -7.465 0.964 1.00 0.00 C ATOM 762 CG LEU A 59 6.152 -8.129 1.789 1.00 0.00 C ATOM 763 CD1 LEU A 59 6.914 -7.057 2.578 1.00 0.00 C ATOM 764 CD2 LEU A 59 5.543 -9.147 2.762 1.00 0.00 C ATOM 0 H LEU A 59 6.086 -8.911 -0.844 1.00 0.00 H new ATOM 0 HA LEU A 59 3.730 -9.175 0.902 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.470 -6.745 0.269 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.368 -6.912 1.621 1.00 0.00 H new ATOM 0 HG LEU A 59 6.839 -8.643 1.117 1.00 0.00 H new ATOM 0 HD11 LEU A 59 7.704 -7.528 3.163 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.355 -6.340 1.885 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.226 -6.540 3.247 1.00 0.00 H new ATOM 0 HD21 LEU A 59 6.337 -9.614 3.344 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.851 -8.639 3.434 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.007 -9.912 2.200 1.00 0.00 H new ATOM 776 N SER A 60 2.193 -8.585 -1.068 1.00 0.00 N ATOM 777 CA SER A 60 1.148 -8.027 -1.976 1.00 0.00 C ATOM 778 C SER A 60 0.195 -7.119 -1.206 1.00 0.00 C ATOM 779 O SER A 60 -0.124 -7.346 -0.052 1.00 0.00 O ATOM 780 CB SER A 60 0.351 -9.173 -2.604 1.00 0.00 C ATOM 781 OG SER A 60 -0.697 -8.633 -3.404 1.00 0.00 O ATOM 0 H SER A 60 2.023 -9.540 -0.753 1.00 0.00 H new ATOM 0 HA SER A 60 1.641 -7.444 -2.754 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.006 -9.796 -3.214 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.063 -9.813 -1.825 1.00 0.00 H new ATOM 0 HG SER A 60 -1.209 -9.364 -3.809 1.00 0.00 H new ATOM 787 N PHE A 61 -0.261 -6.087 -1.865 1.00 0.00 N ATOM 788 CA PHE A 61 -1.201 -5.114 -1.230 1.00 0.00 C ATOM 789 C PHE A 61 -2.267 -4.695 -2.240 1.00 0.00 C ATOM 790 O PHE A 61 -1.974 -4.306 -3.359 1.00 0.00 O ATOM 791 CB PHE A 61 -0.420 -3.872 -0.772 1.00 0.00 C ATOM 792 CG PHE A 61 -1.385 -2.790 -0.324 1.00 0.00 C ATOM 793 CD1 PHE A 61 -2.285 -3.040 0.723 1.00 0.00 C ATOM 794 CD2 PHE A 61 -1.381 -1.539 -0.952 1.00 0.00 C ATOM 795 CE1 PHE A 61 -3.175 -2.041 1.135 1.00 0.00 C ATOM 796 CE2 PHE A 61 -2.267 -0.546 -0.539 1.00 0.00 C ATOM 797 CZ PHE A 61 -3.167 -0.793 0.506 1.00 0.00 C ATOM 0 H PHE A 61 -0.018 -5.873 -2.832 1.00 0.00 H new ATOM 0 HA PHE A 61 -1.680 -5.584 -0.371 1.00 0.00 H new ATOM 0 HB2 PHE A 61 0.250 -4.135 0.046 1.00 0.00 H new ATOM 0 HB3 PHE A 61 0.202 -3.502 -1.587 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -2.291 -4.003 1.211 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -0.690 -1.343 -1.758 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -3.869 -2.235 1.940 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -2.260 0.418 -1.026 1.00 0.00 H new ATOM 0 HZ PHE A 61 -3.852 -0.021 0.824 1.00 0.00 H new ATOM 807 N THR A 62 -3.505 -4.760 -1.838 1.00 0.00 N ATOM 808 CA THR A 62 -4.627 -4.361 -2.740 1.00 0.00 C ATOM 809 C THR A 62 -5.623 -3.483 -1.983 1.00 0.00 C ATOM 810 O THR A 62 -5.988 -3.753 -0.857 1.00 0.00 O ATOM 811 CB THR A 62 -5.331 -5.610 -3.268 1.00 0.00 C ATOM 812 OG1 THR A 62 -4.444 -6.319 -4.119 1.00 0.00 O ATOM 813 CG2 THR A 62 -6.586 -5.202 -4.049 1.00 0.00 C ATOM 0 H THR A 62 -3.793 -5.076 -0.912 1.00 0.00 H new ATOM 0 HA THR A 62 -4.225 -3.793 -3.579 1.00 0.00 H new ATOM 0 HB THR A 62 -5.623 -6.248 -2.434 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.890 -7.122 -4.460 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.087 -6.094 -4.425 1.00 0.00 H new ATOM 0 HG22 THR A 62 -7.262 -4.656 -3.391 1.00 0.00 H new ATOM 0 HG23 THR A 62 -6.302 -4.565 -4.887 1.00 0.00 H new ATOM 821 N ALA A 63 -6.067 -2.429 -2.617 1.00 0.00 N ATOM 822 CA ALA A 63 -7.051 -1.497 -1.977 1.00 0.00 C ATOM 823 C ALA A 63 -8.174 -1.161 -2.965 1.00 0.00 C ATOM 824 O ALA A 63 -7.968 -1.043 -4.156 1.00 0.00 O ATOM 825 CB ALA A 63 -6.335 -0.209 -1.569 1.00 0.00 C ATOM 0 H ALA A 63 -5.788 -2.169 -3.563 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.480 -1.978 -1.098 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.048 0.472 -1.103 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -5.540 -0.443 -0.861 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.906 0.264 -2.452 1.00 0.00 H new ATOM 831 N GLY A 64 -9.371 -1.020 -2.457 1.00 0.00 N ATOM 832 CA GLY A 64 -10.551 -0.709 -3.321 1.00 0.00 C ATOM 833 C GLY A 64 -10.777 0.801 -3.421 1.00 0.00 C ATOM 834 O GLY A 64 -10.096 1.596 -2.797 1.00 0.00 O ATOM 0 H GLY A 64 -9.585 -1.109 -1.464 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -10.396 -1.123 -4.317 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -11.441 -1.187 -2.912 1.00 0.00 H new ATOM 838 N LYS A 65 -11.735 1.184 -4.223 1.00 0.00 N ATOM 839 CA LYS A 65 -12.051 2.630 -4.423 1.00 0.00 C ATOM 840 C LYS A 65 -12.299 3.325 -3.085 1.00 0.00 C ATOM 841 O LYS A 65 -13.016 2.836 -2.238 1.00 0.00 O ATOM 842 CB LYS A 65 -13.309 2.756 -5.299 1.00 0.00 C ATOM 843 CG LYS A 65 -13.534 4.229 -5.664 1.00 0.00 C ATOM 844 CD LYS A 65 -14.744 4.354 -6.597 1.00 0.00 C ATOM 845 CE LYS A 65 -14.936 5.821 -6.997 1.00 0.00 C ATOM 846 NZ LYS A 65 -15.146 6.649 -5.777 1.00 0.00 N ATOM 0 H LYS A 65 -12.323 0.544 -4.758 1.00 0.00 H new ATOM 0 HA LYS A 65 -11.201 3.107 -4.910 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -13.196 2.159 -6.204 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -14.176 2.366 -4.766 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -13.698 4.816 -4.760 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -12.646 4.633 -6.150 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -14.595 3.741 -7.486 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -15.640 3.982 -6.099 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -14.063 6.176 -7.544 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -15.792 5.917 -7.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -15.587 7.553 -6.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -15.768 6.142 -5.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -14.230 6.832 -5.319 1.00 0.00 H new ATOM 860 N ASP A 66 -11.698 4.473 -2.920 1.00 0.00 N ATOM 861 CA ASP A 66 -11.854 5.272 -1.668 1.00 0.00 C ATOM 862 C ASP A 66 -11.421 4.444 -0.456 1.00 0.00 C ATOM 863 O ASP A 66 -11.969 4.568 0.616 1.00 0.00 O ATOM 864 CB ASP A 66 -13.306 5.715 -1.509 1.00 0.00 C ATOM 865 CG ASP A 66 -13.626 6.805 -2.535 1.00 0.00 C ATOM 866 OD1 ASP A 66 -12.704 7.277 -3.182 1.00 0.00 O ATOM 867 OD2 ASP A 66 -14.789 7.149 -2.656 1.00 0.00 O ATOM 0 H ASP A 66 -11.090 4.901 -3.618 1.00 0.00 H new ATOM 0 HA ASP A 66 -11.220 6.156 -1.733 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -13.973 4.864 -1.647 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -13.474 6.091 -0.500 1.00 0.00 H new ATOM 872 N VAL A 67 -10.435 3.607 -0.638 1.00 0.00 N ATOM 873 CA VAL A 67 -9.924 2.749 0.471 1.00 0.00 C ATOM 874 C VAL A 67 -11.053 1.864 0.989 1.00 0.00 C ATOM 875 O VAL A 67 -11.128 0.701 0.662 1.00 0.00 O ATOM 876 CB VAL A 67 -9.397 3.613 1.625 1.00 0.00 C ATOM 877 CG1 VAL A 67 -8.769 2.702 2.683 1.00 0.00 C ATOM 878 CG2 VAL A 67 -8.336 4.589 1.103 1.00 0.00 C ATOM 0 H VAL A 67 -9.952 3.479 -1.527 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.109 2.135 0.087 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.221 4.179 2.060 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -8.392 3.308 3.507 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.521 2.007 3.058 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.947 2.141 2.239 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.966 5.199 1.927 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -7.509 4.028 0.667 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -8.777 5.234 0.343 1.00 0.00 H new ATOM 888 N LYS A 68 -11.922 2.422 1.792 1.00 0.00 N ATOM 889 CA LYS A 68 -13.064 1.647 2.361 1.00 0.00 C ATOM 890 C LYS A 68 -12.605 0.243 2.737 1.00 0.00 C ATOM 891 O LYS A 68 -12.163 -0.006 3.839 1.00 0.00 O ATOM 892 CB LYS A 68 -14.186 1.545 1.322 1.00 0.00 C ATOM 893 CG LYS A 68 -14.883 2.901 1.179 1.00 0.00 C ATOM 894 CD LYS A 68 -15.983 2.803 0.117 1.00 0.00 C ATOM 895 CE LYS A 68 -16.628 4.178 -0.094 1.00 0.00 C ATOM 896 NZ LYS A 68 -17.373 4.575 1.135 1.00 0.00 N ATOM 0 H LYS A 68 -11.887 3.399 2.082 1.00 0.00 H new ATOM 0 HA LYS A 68 -13.430 2.160 3.250 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -13.777 1.232 0.361 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -14.907 0.785 1.624 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -15.312 3.204 2.134 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -14.159 3.666 0.898 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -15.563 2.441 -0.821 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -16.738 2.081 0.428 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -15.862 4.919 -0.322 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -17.305 4.146 -0.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -17.985 5.389 0.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -17.957 3.778 1.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -16.697 4.835 1.882 1.00 0.00 H new ATOM 910 N ILE A 69 -12.698 -0.663 1.810 1.00 0.00 N ATOM 911 CA ILE A 69 -12.272 -2.070 2.058 1.00 0.00 C ATOM 912 C ILE A 69 -10.994 -2.354 1.279 1.00 0.00 C ATOM 913 O ILE A 69 -10.848 -1.982 0.133 1.00 0.00 O ATOM 914 CB ILE A 69 -13.369 -3.030 1.591 1.00 0.00 C ATOM 915 CG1 ILE A 69 -14.629 -2.819 2.435 1.00 0.00 C ATOM 916 CG2 ILE A 69 -12.876 -4.468 1.760 1.00 0.00 C ATOM 917 CD1 ILE A 69 -15.797 -3.594 1.820 1.00 0.00 C ATOM 0 H ILE A 69 -13.058 -0.487 0.872 1.00 0.00 H new ATOM 0 HA ILE A 69 -12.095 -2.211 3.124 1.00 0.00 H new ATOM 0 HB ILE A 69 -13.603 -2.840 0.543 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -14.455 -3.156 3.457 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -14.871 -1.757 2.486 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -13.651 -5.160 1.430 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -11.977 -4.617 1.161 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -12.648 -4.653 2.810 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -16.692 -3.442 2.423 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -15.977 -3.237 0.806 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -15.554 -4.656 1.792 1.00 0.00 H new ATOM 929 N PHE A 70 -10.063 -3.007 1.908 1.00 0.00 N ATOM 930 CA PHE A 70 -8.772 -3.331 1.235 1.00 0.00 C ATOM 931 C PHE A 70 -8.333 -4.739 1.609 1.00 0.00 C ATOM 932 O PHE A 70 -8.857 -5.358 2.513 1.00 0.00 O ATOM 933 CB PHE A 70 -7.693 -2.340 1.668 1.00 0.00 C ATOM 934 CG PHE A 70 -7.421 -2.494 3.145 1.00 0.00 C ATOM 935 CD1 PHE A 70 -8.189 -1.789 4.078 1.00 0.00 C ATOM 936 CD2 PHE A 70 -6.399 -3.348 3.583 1.00 0.00 C ATOM 937 CE1 PHE A 70 -7.937 -1.935 5.448 1.00 0.00 C ATOM 938 CE2 PHE A 70 -6.148 -3.495 4.952 1.00 0.00 C ATOM 939 CZ PHE A 70 -6.917 -2.789 5.885 1.00 0.00 C ATOM 0 H PHE A 70 -10.139 -3.335 2.871 1.00 0.00 H new ATOM 0 HA PHE A 70 -8.914 -3.266 0.156 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -6.779 -2.513 1.100 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.014 -1.321 1.452 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -8.977 -1.132 3.741 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.805 -3.893 2.864 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -8.529 -1.389 6.167 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -5.361 -4.153 5.289 1.00 0.00 H new ATOM 0 HZ PHE A 70 -6.724 -2.903 6.941 1.00 0.00 H new ATOM 949 N SER A 71 -7.367 -5.245 0.900 1.00 0.00 N ATOM 950 CA SER A 71 -6.854 -6.620 1.163 1.00 0.00 C ATOM 951 C SER A 71 -5.327 -6.604 1.185 1.00 0.00 C ATOM 952 O SER A 71 -4.682 -5.797 0.543 1.00 0.00 O ATOM 953 CB SER A 71 -7.344 -7.562 0.064 1.00 0.00 C ATOM 954 OG SER A 71 -6.693 -8.819 0.200 1.00 0.00 O ATOM 0 H SER A 71 -6.901 -4.757 0.135 1.00 0.00 H new ATOM 0 HA SER A 71 -7.221 -6.967 2.129 1.00 0.00 H new ATOM 0 HB2 SER A 71 -8.424 -7.689 0.133 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.135 -7.135 -0.917 1.00 0.00 H new ATOM 0 HG SER A 71 -7.006 -9.427 -0.502 1.00 0.00 H new ATOM 960 N SER A 72 -4.750 -7.497 1.938 1.00 0.00 N ATOM 961 CA SER A 72 -3.265 -7.567 2.041 1.00 0.00 C ATOM 962 C SER A 72 -2.825 -8.999 2.342 1.00 0.00 C ATOM 963 O SER A 72 -3.600 -9.827 2.784 1.00 0.00 O ATOM 964 CB SER A 72 -2.790 -6.648 3.165 1.00 0.00 C ATOM 965 OG SER A 72 -3.555 -6.898 4.337 1.00 0.00 O ATOM 0 H SER A 72 -5.250 -8.191 2.494 1.00 0.00 H new ATOM 0 HA SER A 72 -2.829 -7.250 1.094 1.00 0.00 H new ATOM 0 HB2 SER A 72 -1.732 -6.818 3.365 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.894 -5.605 2.865 1.00 0.00 H new ATOM 0 HG SER A 72 -3.249 -6.310 5.059 1.00 0.00 H new ATOM 971 N SER A 73 -1.580 -9.289 2.079 1.00 0.00 N ATOM 972 CA SER A 73 -1.047 -10.663 2.313 1.00 0.00 C ATOM 973 C SER A 73 -0.815 -10.906 3.800 1.00 0.00 C ATOM 974 O SER A 73 -0.799 -9.999 4.603 1.00 0.00 O ATOM 975 CB SER A 73 0.276 -10.829 1.562 1.00 0.00 C ATOM 976 OG SER A 73 1.142 -9.744 1.875 1.00 0.00 O ATOM 0 H SER A 73 -0.901 -8.625 1.707 1.00 0.00 H new ATOM 0 HA SER A 73 -1.777 -11.386 1.950 1.00 0.00 H new ATOM 0 HB2 SER A 73 0.746 -11.773 1.837 1.00 0.00 H new ATOM 0 HB3 SER A 73 0.094 -10.864 0.488 1.00 0.00 H new ATOM 0 HG SER A 73 2.058 -10.077 1.981 1.00 0.00 H new ATOM 982 N GLU A 74 -0.645 -12.144 4.156 1.00 0.00 N ATOM 983 CA GLU A 74 -0.420 -12.512 5.581 1.00 0.00 C ATOM 984 C GLU A 74 0.856 -11.844 6.086 1.00 0.00 C ATOM 985 O GLU A 74 0.901 -11.319 7.183 1.00 0.00 O ATOM 986 CB GLU A 74 -0.271 -14.039 5.687 1.00 0.00 C ATOM 987 CG GLU A 74 -1.605 -14.726 5.329 1.00 0.00 C ATOM 988 CD GLU A 74 -1.716 -14.913 3.810 1.00 0.00 C ATOM 989 OE1 GLU A 74 -0.852 -14.425 3.100 1.00 0.00 O ATOM 990 OE2 GLU A 74 -2.679 -15.526 3.383 1.00 0.00 O ATOM 0 H GLU A 74 -0.652 -12.933 3.509 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.265 -12.179 6.183 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.516 -14.383 5.016 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.029 -14.314 6.698 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.669 -15.693 5.827 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -2.440 -14.126 5.690 1.00 0.00 H new ATOM 997 N GLU A 75 1.888 -11.866 5.287 1.00 0.00 N ATOM 998 CA GLU A 75 3.181 -11.244 5.694 1.00 0.00 C ATOM 999 C GLU A 75 2.997 -9.731 5.817 1.00 0.00 C ATOM 1000 O GLU A 75 3.608 -9.086 6.640 1.00 0.00 O ATOM 1001 CB GLU A 75 4.253 -11.543 4.637 1.00 0.00 C ATOM 1002 CG GLU A 75 4.588 -13.038 4.658 1.00 0.00 C ATOM 1003 CD GLU A 75 5.607 -13.357 3.561 1.00 0.00 C ATOM 1004 OE1 GLU A 75 6.040 -12.434 2.892 1.00 0.00 O ATOM 1005 OE2 GLU A 75 5.937 -14.523 3.408 1.00 0.00 O ATOM 0 H GLU A 75 1.891 -12.293 4.360 1.00 0.00 H new ATOM 0 HA GLU A 75 3.495 -11.655 6.653 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.895 -11.253 3.649 1.00 0.00 H new ATOM 0 HB3 GLU A 75 5.149 -10.956 4.836 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.990 -13.316 5.632 1.00 0.00 H new ATOM 0 HG3 GLU A 75 3.682 -13.625 4.507 1.00 0.00 H new ATOM 1012 N LEU A 76 2.166 -9.164 4.992 1.00 0.00 N ATOM 1013 CA LEU A 76 1.927 -7.694 5.042 1.00 0.00 C ATOM 1014 C LEU A 76 0.909 -7.378 6.145 1.00 0.00 C ATOM 1015 O LEU A 76 0.870 -6.290 6.675 1.00 0.00 O ATOM 1016 CB LEU A 76 1.384 -7.235 3.679 1.00 0.00 C ATOM 1017 CG LEU A 76 0.990 -5.752 3.728 1.00 0.00 C ATOM 1018 CD1 LEU A 76 2.185 -4.905 4.169 1.00 0.00 C ATOM 1019 CD2 LEU A 76 0.545 -5.309 2.334 1.00 0.00 C ATOM 0 H LEU A 76 1.635 -9.660 4.276 1.00 0.00 H new ATOM 0 HA LEU A 76 2.858 -7.170 5.260 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.139 -7.391 2.909 1.00 0.00 H new ATOM 0 HB3 LEU A 76 0.519 -7.838 3.404 1.00 0.00 H new ATOM 0 HG LEU A 76 0.177 -5.619 4.442 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.895 -3.855 4.200 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.509 -5.222 5.160 1.00 0.00 H new ATOM 0 HD13 LEU A 76 3.004 -5.034 3.461 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.263 -4.256 2.359 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.365 -5.448 1.629 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.310 -5.906 2.018 1.00 0.00 H new ATOM 1031 N ASP A 77 0.066 -8.322 6.462 1.00 0.00 N ATOM 1032 CA ASP A 77 -0.980 -8.102 7.506 1.00 0.00 C ATOM 1033 C ASP A 77 -0.322 -7.923 8.877 1.00 0.00 C ATOM 1034 O ASP A 77 -0.704 -7.075 9.654 1.00 0.00 O ATOM 1035 CB ASP A 77 -1.904 -9.331 7.542 1.00 0.00 C ATOM 1036 CG ASP A 77 -3.013 -9.138 8.584 1.00 0.00 C ATOM 1037 OD1 ASP A 77 -2.974 -8.144 9.287 1.00 0.00 O ATOM 1038 OD2 ASP A 77 -3.885 -9.992 8.653 1.00 0.00 O ATOM 0 H ASP A 77 0.056 -9.249 6.037 1.00 0.00 H new ATOM 0 HA ASP A 77 -1.552 -7.205 7.268 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -2.345 -9.491 6.558 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -1.324 -10.223 7.780 1.00 0.00 H new ATOM 1043 N LYS A 78 0.647 -8.744 9.183 1.00 0.00 N ATOM 1044 CA LYS A 78 1.320 -8.662 10.519 1.00 0.00 C ATOM 1045 C LYS A 78 2.202 -7.411 10.606 1.00 0.00 C ATOM 1046 O LYS A 78 2.700 -7.076 11.658 1.00 0.00 O ATOM 1047 CB LYS A 78 2.182 -9.920 10.728 1.00 0.00 C ATOM 1048 CG LYS A 78 3.395 -9.906 9.788 1.00 0.00 C ATOM 1049 CD LYS A 78 4.182 -11.213 9.931 1.00 0.00 C ATOM 1050 CE LYS A 78 5.452 -11.145 9.076 1.00 0.00 C ATOM 1051 NZ LYS A 78 6.197 -12.433 9.183 1.00 0.00 N ATOM 0 H LYS A 78 1.005 -9.472 8.565 1.00 0.00 H new ATOM 0 HA LYS A 78 0.558 -8.600 11.296 1.00 0.00 H new ATOM 0 HB2 LYS A 78 2.518 -9.969 11.764 1.00 0.00 H new ATOM 0 HB3 LYS A 78 1.583 -10.812 10.545 1.00 0.00 H new ATOM 0 HG2 LYS A 78 3.065 -9.781 8.757 1.00 0.00 H new ATOM 0 HG3 LYS A 78 4.037 -9.057 10.022 1.00 0.00 H new ATOM 0 HD2 LYS A 78 4.444 -11.379 10.976 1.00 0.00 H new ATOM 0 HD3 LYS A 78 3.566 -12.056 9.619 1.00 0.00 H new ATOM 0 HE2 LYS A 78 5.192 -10.949 8.036 1.00 0.00 H new ATOM 0 HE3 LYS A 78 6.082 -10.320 9.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 7.058 -12.385 8.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 6.458 -12.602 10.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 5.595 -13.211 8.846 1.00 0.00 H new ATOM 1065 N MET A 79 2.409 -6.731 9.514 1.00 0.00 N ATOM 1066 CA MET A 79 3.267 -5.508 9.541 1.00 0.00 C ATOM 1067 C MET A 79 2.437 -4.317 10.021 1.00 0.00 C ATOM 1068 O MET A 79 2.957 -3.251 10.270 1.00 0.00 O ATOM 1069 CB MET A 79 3.811 -5.224 8.137 1.00 0.00 C ATOM 1070 CG MET A 79 4.884 -6.257 7.788 1.00 0.00 C ATOM 1071 SD MET A 79 5.484 -5.958 6.105 1.00 0.00 S ATOM 1072 CE MET A 79 6.236 -4.340 6.410 1.00 0.00 C ATOM 0 H MET A 79 2.022 -6.968 8.601 1.00 0.00 H new ATOM 0 HA MET A 79 4.103 -5.668 10.222 1.00 0.00 H new ATOM 0 HB2 MET A 79 3.002 -5.263 7.407 1.00 0.00 H new ATOM 0 HB3 MET A 79 4.231 -4.219 8.094 1.00 0.00 H new ATOM 0 HG2 MET A 79 5.710 -6.193 8.497 1.00 0.00 H new ATOM 0 HG3 MET A 79 4.474 -7.264 7.866 1.00 0.00 H new ATOM 0 HE1 MET A 79 7.196 -4.282 5.897 1.00 0.00 H new ATOM 0 HE2 MET A 79 5.577 -3.556 6.036 1.00 0.00 H new ATOM 0 HE3 MET A 79 6.388 -4.206 7.481 1.00 0.00 H new ATOM 1082 N PHE A 80 1.146 -4.490 10.146 1.00 0.00 N ATOM 1083 CA PHE A 80 0.276 -3.362 10.602 1.00 0.00 C ATOM 1084 C PHE A 80 0.583 -3.036 12.062 1.00 0.00 C ATOM 1085 O PHE A 80 0.732 -3.906 12.895 1.00 0.00 O ATOM 1086 CB PHE A 80 -1.210 -3.749 10.450 1.00 0.00 C ATOM 1087 CG PHE A 80 -1.676 -3.478 9.031 1.00 0.00 C ATOM 1088 CD1 PHE A 80 -1.303 -4.338 7.990 1.00 0.00 C ATOM 1089 CD2 PHE A 80 -2.493 -2.372 8.764 1.00 0.00 C ATOM 1090 CE1 PHE A 80 -1.746 -4.091 6.685 1.00 0.00 C ATOM 1091 CE2 PHE A 80 -2.934 -2.125 7.459 1.00 0.00 C ATOM 1092 CZ PHE A 80 -2.561 -2.984 6.419 1.00 0.00 C ATOM 0 H PHE A 80 0.656 -5.363 9.952 1.00 0.00 H new ATOM 0 HA PHE A 80 0.476 -2.484 9.989 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -1.346 -4.803 10.691 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -1.816 -3.180 11.155 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -0.674 -5.192 8.194 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -2.783 -1.709 9.566 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -1.459 -4.755 5.883 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.563 -1.271 7.254 1.00 0.00 H new ATOM 0 HZ PHE A 80 -2.902 -2.793 5.412 1.00 0.00 H new ATOM 1102 N GLN A 81 0.686 -1.772 12.359 1.00 0.00 N ATOM 1103 CA GLN A 81 0.998 -1.338 13.750 1.00 0.00 C ATOM 1104 C GLN A 81 -0.297 -1.093 14.518 1.00 0.00 C ATOM 1105 O GLN A 81 -0.676 -1.862 15.376 1.00 0.00 O ATOM 1106 CB GLN A 81 1.808 -0.035 13.701 1.00 0.00 C ATOM 1107 CG GLN A 81 2.242 0.338 15.122 1.00 0.00 C ATOM 1108 CD GLN A 81 3.051 1.635 15.098 1.00 0.00 C ATOM 1109 OE1 GLN A 81 2.683 2.582 14.435 1.00 0.00 O ATOM 1110 NE2 GLN A 81 4.144 1.719 15.806 1.00 0.00 N ATOM 0 H GLN A 81 0.566 -1.011 11.690 1.00 0.00 H new ATOM 0 HA GLN A 81 1.573 -2.117 14.251 1.00 0.00 H new ATOM 0 HB2 GLN A 81 2.682 -0.159 13.061 1.00 0.00 H new ATOM 0 HB3 GLN A 81 1.207 0.765 13.269 1.00 0.00 H new ATOM 0 HG2 GLN A 81 1.366 0.458 15.759 1.00 0.00 H new ATOM 0 HG3 GLN A 81 2.840 -0.466 15.551 1.00 0.00 H new ATOM 0 HE21 GLN A 81 4.453 0.923 16.363 1.00 0.00 H new ATOM 0 HE22 GLN A 81 4.689 2.581 15.802 1.00 0.00 H new ATOM 1119 N GLU A 82 -0.969 -0.007 14.228 1.00 0.00 N ATOM 1120 CA GLU A 82 -2.228 0.316 14.954 1.00 0.00 C ATOM 1121 C GLU A 82 -3.421 -0.324 14.233 1.00 0.00 C ATOM 1122 O GLU A 82 -3.374 -0.566 13.043 1.00 0.00 O ATOM 1123 CB GLU A 82 -2.415 1.847 15.002 1.00 0.00 C ATOM 1124 CG GLU A 82 -1.858 2.478 13.724 1.00 0.00 C ATOM 1125 CD GLU A 82 -2.386 3.909 13.582 1.00 0.00 C ATOM 1126 OE1 GLU A 82 -2.624 4.538 14.601 1.00 0.00 O ATOM 1127 OE2 GLU A 82 -2.542 4.352 12.456 1.00 0.00 O ATOM 0 H GLU A 82 -0.696 0.670 13.516 1.00 0.00 H new ATOM 0 HA GLU A 82 -2.170 -0.076 15.969 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.472 2.090 15.108 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -1.905 2.258 15.873 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -0.768 2.484 13.755 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.149 1.885 12.857 1.00 0.00 H new ATOM 1134 N PRO A 83 -4.492 -0.569 14.947 1.00 0.00 N ATOM 1135 CA PRO A 83 -5.720 -1.169 14.367 1.00 0.00 C ATOM 1136 C PRO A 83 -6.116 -0.532 13.034 1.00 0.00 C ATOM 1137 O PRO A 83 -5.622 0.510 12.657 1.00 0.00 O ATOM 1138 CB PRO A 83 -6.795 -0.899 15.429 1.00 0.00 C ATOM 1139 CG PRO A 83 -6.053 -0.803 16.726 1.00 0.00 C ATOM 1140 CD PRO A 83 -4.642 -0.314 16.395 1.00 0.00 C ATOM 0 HA PRO A 83 -5.580 -2.227 14.143 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -7.336 0.023 15.216 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -7.532 -1.702 15.456 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -6.552 -0.112 17.406 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -6.019 -1.772 17.224 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -4.525 0.745 16.626 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -3.890 -0.851 16.973 1.00 0.00 H new ATOM 1148 N ARG A 84 -6.993 -1.178 12.318 1.00 0.00 N ATOM 1149 CA ARG A 84 -7.430 -0.657 10.993 1.00 0.00 C ATOM 1150 C ARG A 84 -8.240 0.618 11.169 1.00 0.00 C ATOM 1151 O ARG A 84 -9.094 0.720 12.026 1.00 0.00 O ATOM 1152 CB ARG A 84 -8.289 -1.713 10.288 1.00 0.00 C ATOM 1153 CG ARG A 84 -7.419 -2.915 9.912 1.00 0.00 C ATOM 1154 CD ARG A 84 -8.277 -3.965 9.195 1.00 0.00 C ATOM 1155 NE ARG A 84 -7.423 -5.137 8.840 1.00 0.00 N ATOM 1156 CZ ARG A 84 -7.950 -6.214 8.312 1.00 0.00 C ATOM 1157 NH1 ARG A 84 -9.240 -6.291 8.090 1.00 0.00 N ATOM 1158 NH2 ARG A 84 -7.182 -7.222 8.009 1.00 0.00 N ATOM 0 H ARG A 84 -7.431 -2.056 12.598 1.00 0.00 H new ATOM 0 HA ARG A 84 -6.548 -0.436 10.391 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -9.102 -2.030 10.941 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -8.745 -1.288 9.394 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -6.600 -2.597 9.266 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -6.970 -3.346 10.807 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.099 -4.280 9.837 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -8.721 -3.537 8.296 1.00 0.00 H new ATOM 0 HE ARG A 84 -6.418 -5.099 9.010 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -9.846 -5.506 8.329 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -9.637 -7.136 7.678 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -6.178 -7.169 8.183 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -7.584 -8.064 7.598 1.00 0.00 H new ATOM 1172 N LYS A 85 -7.968 1.594 10.347 1.00 0.00 N ATOM 1173 CA LYS A 85 -8.700 2.893 10.425 1.00 0.00 C ATOM 1174 C LYS A 85 -9.106 3.347 9.022 1.00 0.00 C ATOM 1175 O LYS A 85 -8.369 3.211 8.067 1.00 0.00 O ATOM 1176 CB LYS A 85 -7.789 3.951 11.053 1.00 0.00 C ATOM 1177 CG LYS A 85 -7.502 3.585 12.512 1.00 0.00 C ATOM 1178 CD LYS A 85 -6.578 4.636 13.134 1.00 0.00 C ATOM 1179 CE LYS A 85 -6.282 4.262 14.589 1.00 0.00 C ATOM 1180 NZ LYS A 85 -5.381 5.285 15.194 1.00 0.00 N ATOM 0 H LYS A 85 -7.260 1.547 9.614 1.00 0.00 H new ATOM 0 HA LYS A 85 -9.594 2.764 11.035 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -6.855 4.019 10.495 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -8.264 4.931 11.000 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -8.435 3.528 13.073 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -7.037 2.600 12.566 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -5.649 4.699 12.568 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -7.046 5.619 13.089 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -7.211 4.200 15.156 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -5.815 3.278 14.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -5.522 5.306 16.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -4.391 5.043 14.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -5.600 6.220 14.795 1.00 0.00 H new ATOM 1194 N GLY A 86 -10.286 3.886 8.911 1.00 0.00 N ATOM 1195 CA GLY A 86 -10.793 4.369 7.595 1.00 0.00 C ATOM 1196 C GLY A 86 -10.046 5.633 7.178 1.00 0.00 C ATOM 1197 O GLY A 86 -9.357 6.256 7.966 1.00 0.00 O ATOM 0 H GLY A 86 -10.933 4.015 9.689 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -10.663 3.594 6.840 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -11.862 4.574 7.661 1.00 0.00 H new ATOM 1201 N TYR A 87 -10.180 6.003 5.935 1.00 0.00 N ATOM 1202 CA TYR A 87 -9.490 7.218 5.423 1.00 0.00 C ATOM 1203 C TYR A 87 -10.000 8.447 6.176 1.00 0.00 C ATOM 1204 O TYR A 87 -9.246 9.320 6.548 1.00 0.00 O ATOM 1205 CB TYR A 87 -9.786 7.379 3.926 1.00 0.00 C ATOM 1206 CG TYR A 87 -9.154 8.658 3.422 1.00 0.00 C ATOM 1207 CD1 TYR A 87 -7.764 8.732 3.258 1.00 0.00 C ATOM 1208 CD2 TYR A 87 -9.954 9.767 3.116 1.00 0.00 C ATOM 1209 CE1 TYR A 87 -7.176 9.915 2.790 1.00 0.00 C ATOM 1210 CE2 TYR A 87 -9.365 10.948 2.648 1.00 0.00 C ATOM 1211 CZ TYR A 87 -7.977 11.022 2.484 1.00 0.00 C ATOM 1212 OH TYR A 87 -7.397 12.185 2.021 1.00 0.00 O ATOM 0 H TYR A 87 -10.745 5.509 5.245 1.00 0.00 H new ATOM 0 HA TYR A 87 -8.415 7.118 5.574 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -9.395 6.525 3.373 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -10.863 7.402 3.758 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -7.146 7.878 3.492 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -11.025 9.711 3.241 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -6.105 9.973 2.665 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -9.982 11.803 2.413 1.00 0.00 H new ATOM 0 HH TYR A 87 -8.093 12.855 1.856 1.00 0.00 H new ATOM 1222 N ASP A 88 -11.287 8.519 6.384 1.00 0.00 N ATOM 1223 CA ASP A 88 -11.889 9.690 7.092 1.00 0.00 C ATOM 1224 C ASP A 88 -11.380 9.758 8.537 1.00 0.00 C ATOM 1225 O ASP A 88 -11.171 10.826 9.073 1.00 0.00 O ATOM 1226 CB ASP A 88 -13.428 9.540 7.100 1.00 0.00 C ATOM 1227 CG ASP A 88 -14.018 10.095 5.799 1.00 0.00 C ATOM 1228 OD1 ASP A 88 -13.252 10.365 4.889 1.00 0.00 O ATOM 1229 OD2 ASP A 88 -15.226 10.256 5.744 1.00 0.00 O ATOM 0 H ASP A 88 -11.957 7.808 6.090 1.00 0.00 H new ATOM 0 HA ASP A 88 -11.604 10.605 6.573 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -13.698 8.490 7.212 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -13.848 10.070 7.954 1.00 0.00 H new ATOM 1234 N GLU A 89 -11.214 8.632 9.176 1.00 0.00 N ATOM 1235 CA GLU A 89 -10.756 8.634 10.597 1.00 0.00 C ATOM 1236 C GLU A 89 -9.334 9.192 10.699 1.00 0.00 C ATOM 1237 O GLU A 89 -9.036 9.980 11.570 1.00 0.00 O ATOM 1238 CB GLU A 89 -10.770 7.197 11.142 1.00 0.00 C ATOM 1239 CG GLU A 89 -10.755 7.221 12.678 1.00 0.00 C ATOM 1240 CD GLU A 89 -9.407 7.753 13.181 1.00 0.00 C ATOM 1241 OE1 GLU A 89 -8.410 7.525 12.513 1.00 0.00 O ATOM 1242 OE2 GLU A 89 -9.400 8.389 14.221 1.00 0.00 O ATOM 0 H GLU A 89 -11.376 7.708 8.775 1.00 0.00 H new ATOM 0 HA GLU A 89 -11.429 9.262 11.180 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -11.657 6.672 10.786 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -9.905 6.649 10.770 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -11.565 7.850 13.048 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -10.928 6.218 13.067 1.00 0.00 H new ATOM 1249 N ILE A 90 -8.452 8.780 9.825 1.00 0.00 N ATOM 1250 CA ILE A 90 -7.043 9.280 9.888 1.00 0.00 C ATOM 1251 C ILE A 90 -6.973 10.738 9.425 1.00 0.00 C ATOM 1252 O ILE A 90 -6.154 11.500 9.887 1.00 0.00 O ATOM 1253 CB ILE A 90 -6.136 8.412 8.998 1.00 0.00 C ATOM 1254 CG1 ILE A 90 -6.660 8.395 7.557 1.00 0.00 C ATOM 1255 CG2 ILE A 90 -6.098 6.985 9.550 1.00 0.00 C ATOM 1256 CD1 ILE A 90 -5.652 7.679 6.647 1.00 0.00 C ATOM 0 H ILE A 90 -8.645 8.120 9.071 1.00 0.00 H new ATOM 0 HA ILE A 90 -6.700 9.220 10.921 1.00 0.00 H new ATOM 0 HB ILE A 90 -5.131 8.833 8.999 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.624 7.888 7.517 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.821 9.415 7.206 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -5.456 6.368 8.921 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -5.705 6.998 10.567 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -7.106 6.570 9.556 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.028 7.669 5.624 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -4.697 8.204 6.677 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.514 6.655 6.993 1.00 0.00 H new ATOM 1268 N LEU A 91 -7.814 11.128 8.506 1.00 0.00 N ATOM 1269 CA LEU A 91 -7.780 12.534 8.006 1.00 0.00 C ATOM 1270 C LEU A 91 -8.129 13.487 9.150 1.00 0.00 C ATOM 1271 O LEU A 91 -7.552 14.545 9.286 1.00 0.00 O ATOM 1272 CB LEU A 91 -8.792 12.708 6.854 1.00 0.00 C ATOM 1273 CG LEU A 91 -8.780 14.164 6.352 1.00 0.00 C ATOM 1274 CD1 LEU A 91 -7.374 14.542 5.862 1.00 0.00 C ATOM 1275 CD2 LEU A 91 -9.778 14.306 5.199 1.00 0.00 C ATOM 0 H LEU A 91 -8.524 10.534 8.079 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.781 12.761 7.635 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -8.543 12.032 6.036 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -9.792 12.441 7.195 1.00 0.00 H new ATOM 0 HG LEU A 91 -9.060 14.829 7.169 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.377 15.573 5.509 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.663 14.441 6.682 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.083 13.880 5.046 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -9.774 15.335 4.839 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -9.494 13.637 4.387 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -10.777 14.048 5.549 1.00 0.00 H new ATOM 1287 N GLU A 92 -9.087 13.118 9.958 1.00 0.00 N ATOM 1288 CA GLU A 92 -9.509 13.990 11.093 1.00 0.00 C ATOM 1289 C GLU A 92 -8.276 14.411 11.885 1.00 0.00 C ATOM 1290 O GLU A 92 -8.254 15.449 12.512 1.00 0.00 O ATOM 1291 CB GLU A 92 -10.451 13.200 12.014 1.00 0.00 C ATOM 1292 CG GLU A 92 -10.968 14.126 13.121 1.00 0.00 C ATOM 1293 CD GLU A 92 -11.962 13.380 14.021 1.00 0.00 C ATOM 1294 OE1 GLU A 92 -12.421 12.323 13.621 1.00 0.00 O ATOM 1295 OE2 GLU A 92 -12.251 13.888 15.093 1.00 0.00 O ATOM 0 H GLU A 92 -9.601 12.240 9.879 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.022 14.872 10.709 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -11.286 12.797 11.441 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -9.925 12.351 12.450 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -10.132 14.493 13.717 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -11.451 14.997 12.679 1.00 0.00 H new