USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 741 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 Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc=-0.00546 X(o=-0.0055,f=-0.33) USER MOD Single : A 13 SER OG : rot 50:sc= 0.399 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -6.95! C(o=-7!,f=-21!) USER MOD Single : A 19 TYR OH : rot 180:sc= -3.81! USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc=-0.00901 X(o=-0.009,f=0) USER MOD Single : A 30 ASN : amide:sc= -0.0127 X(o=-0.013,f=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -83:sc= 0.3 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 76:sc= 1.04 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot -173:sc= 0.154 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.0426 X(o=-0.043,f=0) USER MOD Single : A 82 CYS SG : rot 150:sc= -1.2 USER MOD Single : A 84 GLN : amide:sc= -0.363 K(o=-0.36,f=-2.9!) USER MOD Single : A 85 ASN : amide:sc= -0.0331 X(o=-0.033,f=-0.32) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot -140:sc= 0 USER MOD Single : A 95 SER OG : rot -60:sc= 0.787 USER MOD Single : A 104 HIS : no HD1:sc= -4.63! C(o=-4.6!,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 31 N LEU A 9 -1.515 -0.473 -5.243 1.00 0.00 N ATOM 32 CA LEU A 9 -2.828 -1.079 -5.098 1.00 0.00 C ATOM 33 C LEU A 9 -2.696 -2.600 -5.196 1.00 0.00 C ATOM 34 O LEU A 9 -3.415 -3.333 -4.520 1.00 0.00 O ATOM 35 CB LEU A 9 -3.809 -0.480 -6.108 1.00 0.00 C ATOM 36 CG LEU A 9 -3.977 1.040 -6.060 1.00 0.00 C ATOM 37 CD1 LEU A 9 -5.407 1.445 -6.422 1.00 0.00 C ATOM 38 CD2 LEU A 9 -3.549 1.596 -4.701 1.00 0.00 C ATOM 0 HA LEU A 9 -3.244 -0.857 -4.115 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.483 -0.758 -7.110 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.785 -0.939 -5.952 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.319 1.481 -6.809 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.499 2.530 -6.380 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.639 1.100 -7.429 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.103 0.994 -5.715 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.678 2.678 -4.694 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.162 1.152 -3.917 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.501 1.355 -4.523 1.00 0.00 H new ATOM 50 N THR A 10 -1.773 -3.028 -6.044 1.00 0.00 N ATOM 51 CA THR A 10 -1.537 -4.449 -6.239 1.00 0.00 C ATOM 52 C THR A 10 -1.161 -5.114 -4.914 1.00 0.00 C ATOM 53 O THR A 10 -1.701 -6.162 -4.565 1.00 0.00 O ATOM 54 CB THR A 10 -0.470 -4.607 -7.323 1.00 0.00 C ATOM 55 OG1 THR A 10 -1.128 -4.202 -8.521 1.00 0.00 O ATOM 56 CG2 THR A 10 -0.104 -6.071 -7.576 1.00 0.00 C ATOM 0 H THR A 10 -1.179 -2.416 -6.604 1.00 0.00 H new ATOM 0 HA THR A 10 -2.440 -4.957 -6.576 1.00 0.00 H new ATOM 0 HB THR A 10 0.424 -4.054 -7.035 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.506 -4.272 -9.275 1.00 0.00 H new ATOM 0 HG21 THR A 10 0.657 -6.126 -8.354 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.283 -6.513 -6.658 1.00 0.00 H new ATOM 0 HG23 THR A 10 -0.991 -6.618 -7.896 1.00 0.00 H new ATOM 64 N GLN A 11 -0.235 -4.477 -4.211 1.00 0.00 N ATOM 65 CA GLN A 11 0.220 -4.994 -2.932 1.00 0.00 C ATOM 66 C GLN A 11 -0.816 -4.707 -1.843 1.00 0.00 C ATOM 67 O GLN A 11 -0.977 -5.493 -0.911 1.00 0.00 O ATOM 68 CB GLN A 11 1.584 -4.409 -2.558 1.00 0.00 C ATOM 69 CG GLN A 11 2.652 -5.503 -2.502 1.00 0.00 C ATOM 70 CD GLN A 11 2.836 -6.017 -1.072 1.00 0.00 C ATOM 71 OE1 GLN A 11 1.924 -6.013 -0.262 1.00 0.00 O ATOM 72 NE2 GLN A 11 4.063 -6.458 -0.810 1.00 0.00 N ATOM 0 H GLN A 11 0.212 -3.608 -4.503 1.00 0.00 H new ATOM 0 HA GLN A 11 0.336 -6.074 -3.020 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.872 -3.652 -3.288 1.00 0.00 H new ATOM 0 HB3 GLN A 11 1.517 -3.911 -1.591 1.00 0.00 H new ATOM 0 HG2 GLN A 11 2.367 -6.328 -3.155 1.00 0.00 H new ATOM 0 HG3 GLN A 11 3.598 -5.112 -2.876 1.00 0.00 H new ATOM 0 HE21 GLN A 11 4.780 -6.433 -1.535 1.00 0.00 H new ATOM 0 HE22 GLN A 11 4.287 -6.822 0.116 1.00 0.00 H new ATOM 81 N LEU A 12 -1.493 -3.578 -1.999 1.00 0.00 N ATOM 82 CA LEU A 12 -2.510 -3.178 -1.041 1.00 0.00 C ATOM 83 C LEU A 12 -3.435 -4.363 -0.759 1.00 0.00 C ATOM 84 O LEU A 12 -3.782 -4.625 0.391 1.00 0.00 O ATOM 85 CB LEU A 12 -3.244 -1.928 -1.530 1.00 0.00 C ATOM 86 CG LEU A 12 -3.633 -0.913 -0.453 1.00 0.00 C ATOM 87 CD1 LEU A 12 -4.707 -1.484 0.475 1.00 0.00 C ATOM 88 CD2 LEU A 12 -2.402 -0.436 0.321 1.00 0.00 C ATOM 0 H LEU A 12 -1.357 -2.929 -2.774 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.051 -2.900 -0.092 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.614 -1.425 -2.264 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.150 -2.242 -2.049 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.062 -0.040 -0.945 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.966 -0.743 1.231 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.594 -1.734 -0.106 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.327 -2.382 0.962 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.706 0.285 1.080 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.922 -1.288 0.801 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.700 0.036 -0.367 1.00 0.00 H new ATOM 100 N SER A 13 -3.808 -5.049 -1.830 1.00 0.00 N ATOM 101 CA SER A 13 -4.686 -6.201 -1.713 1.00 0.00 C ATOM 102 C SER A 13 -4.743 -6.953 -3.044 1.00 0.00 C ATOM 103 O SER A 13 -5.822 -7.158 -3.599 1.00 0.00 O ATOM 104 CB SER A 13 -6.092 -5.780 -1.280 1.00 0.00 C ATOM 105 OG SER A 13 -6.310 -6.000 0.111 1.00 0.00 O ATOM 0 H SER A 13 -3.518 -4.829 -2.783 1.00 0.00 H new ATOM 0 HA SER A 13 -4.282 -6.863 -0.947 1.00 0.00 H new ATOM 0 HB2 SER A 13 -6.241 -4.725 -1.508 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.831 -6.338 -1.856 1.00 0.00 H new ATOM 0 HG SER A 13 -5.570 -5.612 0.623 1.00 0.00 H new ATOM 111 N SER A 14 -3.569 -7.343 -3.517 1.00 0.00 N ATOM 112 CA SER A 14 -3.472 -8.068 -4.773 1.00 0.00 C ATOM 113 C SER A 14 -4.093 -7.244 -5.902 1.00 0.00 C ATOM 114 O SER A 14 -4.390 -7.774 -6.972 1.00 0.00 O ATOM 115 CB SER A 14 -4.156 -9.434 -4.675 1.00 0.00 C ATOM 116 OG SER A 14 -3.259 -10.502 -4.965 1.00 0.00 O ATOM 0 H SER A 14 -2.677 -7.171 -3.054 1.00 0.00 H new ATOM 0 HA SER A 14 -2.417 -8.235 -4.991 1.00 0.00 H new ATOM 0 HB2 SER A 14 -4.563 -9.565 -3.672 1.00 0.00 H new ATOM 0 HB3 SER A 14 -4.997 -9.469 -5.367 1.00 0.00 H new ATOM 0 HG SER A 14 -3.733 -11.357 -4.890 1.00 0.00 H new ATOM 122 N GLY A 15 -4.271 -5.960 -5.626 1.00 0.00 N ATOM 123 CA GLY A 15 -4.851 -5.057 -6.606 1.00 0.00 C ATOM 124 C GLY A 15 -6.370 -5.225 -6.674 1.00 0.00 C ATOM 125 O GLY A 15 -6.931 -5.400 -7.755 1.00 0.00 O ATOM 0 H GLY A 15 -4.024 -5.524 -4.738 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.607 -4.027 -6.346 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.416 -5.250 -7.586 1.00 0.00 H new ATOM 129 N ASN A 16 -6.993 -5.166 -5.506 1.00 0.00 N ATOM 130 CA ASN A 16 -8.436 -5.309 -5.419 1.00 0.00 C ATOM 131 C ASN A 16 -9.096 -3.957 -5.701 1.00 0.00 C ATOM 132 O ASN A 16 -8.846 -2.981 -4.995 1.00 0.00 O ATOM 133 CB ASN A 16 -8.862 -5.760 -4.021 1.00 0.00 C ATOM 134 CG ASN A 16 -10.297 -6.291 -4.030 1.00 0.00 C ATOM 135 OD1 ASN A 16 -11.117 -5.924 -4.855 1.00 0.00 O ATOM 136 ND2 ASN A 16 -10.554 -7.172 -3.067 1.00 0.00 N ATOM 0 H ASN A 16 -6.524 -5.021 -4.612 1.00 0.00 H new ATOM 0 HA ASN A 16 -8.745 -6.057 -6.149 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -8.185 -6.536 -3.663 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -8.784 -4.924 -3.326 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -11.484 -7.584 -2.987 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -9.821 -7.436 -2.408 1.00 0.00 H new ATOM 143 N PRO A 17 -9.947 -3.943 -6.761 1.00 0.00 N ATOM 144 CA PRO A 17 -10.645 -2.727 -7.145 1.00 0.00 C ATOM 145 C PRO A 17 -11.790 -2.424 -6.177 1.00 0.00 C ATOM 146 O PRO A 17 -12.321 -1.314 -6.166 1.00 0.00 O ATOM 147 CB PRO A 17 -11.120 -2.978 -8.567 1.00 0.00 C ATOM 148 CG PRO A 17 -11.078 -4.485 -8.761 1.00 0.00 C ATOM 149 CD PRO A 17 -10.267 -5.080 -7.620 1.00 0.00 C ATOM 0 HA PRO A 17 -10.007 -1.844 -7.103 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -12.129 -2.593 -8.715 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -10.477 -2.473 -9.288 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -12.087 -4.897 -8.768 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -10.626 -4.734 -9.721 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -10.838 -5.836 -7.080 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -9.363 -5.565 -7.988 1.00 0.00 H new ATOM 157 N VAL A 18 -12.138 -3.430 -5.387 1.00 0.00 N ATOM 158 CA VAL A 18 -13.210 -3.285 -4.418 1.00 0.00 C ATOM 159 C VAL A 18 -13.073 -1.935 -3.710 1.00 0.00 C ATOM 160 O VAL A 18 -14.072 -1.286 -3.404 1.00 0.00 O ATOM 161 CB VAL A 18 -13.206 -4.470 -3.451 1.00 0.00 C ATOM 162 CG1 VAL A 18 -11.962 -4.447 -2.561 1.00 0.00 C ATOM 163 CG2 VAL A 18 -14.483 -4.496 -2.609 1.00 0.00 C ATOM 0 H VAL A 18 -11.696 -4.349 -5.399 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.179 -3.294 -4.917 1.00 0.00 H new ATOM 0 HB VAL A 18 -13.177 -5.385 -4.043 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -11.984 -5.300 -1.883 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.069 -4.501 -3.183 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -11.946 -3.524 -1.982 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -14.454 -5.348 -1.930 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -14.557 -3.575 -2.031 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -15.349 -4.584 -3.265 1.00 0.00 H new ATOM 173 N TYR A 19 -11.827 -1.553 -3.471 1.00 0.00 N ATOM 174 CA TYR A 19 -11.546 -0.293 -2.804 1.00 0.00 C ATOM 175 C TYR A 19 -11.951 0.894 -3.682 1.00 0.00 C ATOM 176 O TYR A 19 -12.523 1.866 -3.192 1.00 0.00 O ATOM 177 CB TYR A 19 -10.031 -0.259 -2.588 1.00 0.00 C ATOM 178 CG TYR A 19 -9.570 -0.950 -1.304 1.00 0.00 C ATOM 179 CD1 TYR A 19 -10.197 -0.670 -0.106 1.00 0.00 C ATOM 180 CD2 TYR A 19 -8.528 -1.854 -1.343 1.00 0.00 C ATOM 181 CE1 TYR A 19 -9.763 -1.321 1.103 1.00 0.00 C ATOM 182 CE2 TYR A 19 -8.094 -2.505 -0.134 1.00 0.00 C ATOM 183 CZ TYR A 19 -8.733 -2.207 1.029 1.00 0.00 C ATOM 184 OH TYR A 19 -8.323 -2.821 2.171 1.00 0.00 O ATOM 0 H TYR A 19 -11.001 -2.094 -3.727 1.00 0.00 H new ATOM 0 HA TYR A 19 -12.103 -0.220 -1.870 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -9.542 -0.733 -3.439 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -9.700 0.779 -2.568 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -11.013 0.037 -0.076 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -8.038 -2.073 -2.280 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -10.244 -1.111 2.047 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -7.279 -3.214 -0.150 1.00 0.00 H new ATOM 0 HH TYR A 19 -7.581 -3.428 1.968 1.00 0.00 H new ATOM 194 N GLU A 20 -11.637 0.775 -4.964 1.00 0.00 N ATOM 195 CA GLU A 20 -11.961 1.825 -5.914 1.00 0.00 C ATOM 196 C GLU A 20 -13.422 2.253 -5.754 1.00 0.00 C ATOM 197 O GLU A 20 -13.745 3.433 -5.889 1.00 0.00 O ATOM 198 CB GLU A 20 -11.676 1.374 -7.348 1.00 0.00 C ATOM 199 CG GLU A 20 -10.648 2.290 -8.016 1.00 0.00 C ATOM 200 CD GLU A 20 -11.322 3.234 -9.015 1.00 0.00 C ATOM 201 OE1 GLU A 20 -12.402 2.917 -9.535 1.00 0.00 O ATOM 202 OE2 GLU A 20 -10.684 4.331 -9.243 1.00 0.00 O ATOM 0 H GLU A 20 -11.162 -0.033 -5.367 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.325 2.686 -5.706 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -11.307 0.349 -7.344 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.601 1.377 -7.925 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.126 2.871 -7.256 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.898 1.688 -8.528 1.00 0.00 H new ATOM 210 N LYS A 21 -14.265 1.272 -5.468 1.00 0.00 N ATOM 211 CA LYS A 21 -15.683 1.533 -5.289 1.00 0.00 C ATOM 212 C LYS A 21 -15.864 2.677 -4.289 1.00 0.00 C ATOM 213 O LYS A 21 -16.352 3.748 -4.648 1.00 0.00 O ATOM 214 CB LYS A 21 -16.418 0.250 -4.895 1.00 0.00 C ATOM 215 CG LYS A 21 -17.524 -0.079 -5.899 1.00 0.00 C ATOM 216 CD LYS A 21 -18.281 -1.343 -5.487 1.00 0.00 C ATOM 217 CE LYS A 21 -17.789 -2.557 -6.278 1.00 0.00 C ATOM 218 NZ LYS A 21 -17.679 -3.741 -5.396 1.00 0.00 N ATOM 0 H LYS A 21 -13.993 0.295 -5.356 1.00 0.00 H new ATOM 0 HA LYS A 21 -16.133 1.855 -6.228 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -15.710 -0.578 -4.844 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -16.848 0.364 -3.900 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -18.218 0.759 -5.968 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -17.091 -0.217 -6.890 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -18.147 -1.521 -4.420 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -19.349 -1.203 -5.655 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -18.477 -2.769 -7.096 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -16.819 -2.338 -6.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -17.344 -4.556 -5.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -17.005 -3.542 -4.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -18.611 -3.959 -4.989 1.00 0.00 H new ATOM 229 N TYR A 22 -15.462 2.412 -3.055 1.00 0.00 N ATOM 230 CA TYR A 22 -15.574 3.406 -2.001 1.00 0.00 C ATOM 231 C TYR A 22 -14.842 4.694 -2.383 1.00 0.00 C ATOM 232 O TYR A 22 -15.373 5.790 -2.205 1.00 0.00 O ATOM 233 CB TYR A 22 -14.899 2.795 -0.772 1.00 0.00 C ATOM 234 CG TYR A 22 -15.344 1.364 -0.464 1.00 0.00 C ATOM 235 CD1 TYR A 22 -16.687 1.046 -0.456 1.00 0.00 C ATOM 236 CD2 TYR A 22 -14.402 0.391 -0.194 1.00 0.00 C ATOM 237 CE1 TYR A 22 -17.106 -0.301 -0.166 1.00 0.00 C ATOM 238 CE2 TYR A 22 -14.821 -0.956 0.096 1.00 0.00 C ATOM 239 CZ TYR A 22 -16.152 -1.235 0.096 1.00 0.00 C ATOM 240 OH TYR A 22 -16.548 -2.507 0.369 1.00 0.00 O ATOM 0 H TYR A 22 -15.058 1.523 -2.761 1.00 0.00 H new ATOM 0 HA TYR A 22 -16.619 3.659 -1.821 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -13.819 2.805 -0.921 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -15.107 3.423 0.094 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -17.424 1.807 -0.667 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -13.351 0.640 -0.200 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -18.154 -0.564 -0.157 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -14.095 -1.727 0.309 1.00 0.00 H new ATOM 0 HH TYR A 22 -15.761 -3.066 0.535 1.00 0.00 H new ATOM 250 N TYR A 23 -13.635 4.520 -2.901 1.00 0.00 N ATOM 251 CA TYR A 23 -12.825 5.655 -3.309 1.00 0.00 C ATOM 252 C TYR A 23 -13.586 6.545 -4.295 1.00 0.00 C ATOM 253 O TYR A 23 -13.349 7.751 -4.358 1.00 0.00 O ATOM 254 CB TYR A 23 -11.600 5.068 -4.012 1.00 0.00 C ATOM 255 CG TYR A 23 -10.852 6.067 -4.897 1.00 0.00 C ATOM 256 CD1 TYR A 23 -11.317 6.348 -6.166 1.00 0.00 C ATOM 257 CD2 TYR A 23 -9.712 6.686 -4.427 1.00 0.00 C ATOM 258 CE1 TYR A 23 -10.612 7.289 -6.998 1.00 0.00 C ATOM 259 CE2 TYR A 23 -9.007 7.627 -5.259 1.00 0.00 C ATOM 260 CZ TYR A 23 -9.492 7.881 -6.504 1.00 0.00 C ATOM 261 OH TYR A 23 -8.827 8.769 -7.291 1.00 0.00 O ATOM 0 H TYR A 23 -13.198 3.610 -3.047 1.00 0.00 H new ATOM 0 HA TYR A 23 -12.559 6.267 -2.447 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -10.913 4.680 -3.260 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -11.915 4.222 -4.623 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -12.209 5.863 -6.535 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -9.348 6.465 -3.435 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -10.965 7.519 -7.992 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -8.114 8.119 -4.903 1.00 0.00 H new ATOM 0 HH TYR A 23 -8.047 9.114 -6.808 1.00 0.00 H new ATOM 271 N ARG A 24 -14.483 5.916 -5.039 1.00 0.00 N ATOM 272 CA ARG A 24 -15.280 6.636 -6.018 1.00 0.00 C ATOM 273 C ARG A 24 -16.529 7.223 -5.358 1.00 0.00 C ATOM 274 O ARG A 24 -17.113 8.179 -5.866 1.00 0.00 O ATOM 275 CB ARG A 24 -15.702 5.718 -7.167 1.00 0.00 C ATOM 276 CG ARG A 24 -16.036 6.528 -8.422 1.00 0.00 C ATOM 277 CD ARG A 24 -14.763 6.980 -9.138 1.00 0.00 C ATOM 278 NE ARG A 24 -14.940 6.871 -10.604 1.00 0.00 N ATOM 279 CZ ARG A 24 -14.143 7.475 -11.510 1.00 0.00 C ATOM 280 NH1 ARG A 24 -13.105 8.239 -11.108 1.00 0.00 N ATOM 281 NH2 ARG A 24 -14.394 7.309 -12.795 1.00 0.00 N ATOM 0 H ARG A 24 -14.676 4.916 -4.984 1.00 0.00 H new ATOM 0 HA ARG A 24 -14.665 7.441 -6.419 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -14.900 5.013 -7.387 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -16.570 5.130 -6.868 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -16.643 5.925 -9.098 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -16.633 7.399 -8.149 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -14.530 8.010 -8.867 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -13.920 6.368 -8.819 1.00 0.00 H new ATOM 0 HE ARG A 24 -15.713 6.303 -10.951 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.918 8.363 -10.113 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.507 8.692 -11.799 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -15.181 6.731 -13.090 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.801 7.759 -13.493 1.00 0.00 H new ATOM 294 N GLN A 25 -16.903 6.625 -4.236 1.00 0.00 N ATOM 295 CA GLN A 25 -18.072 7.077 -3.501 1.00 0.00 C ATOM 296 C GLN A 25 -17.833 8.476 -2.931 1.00 0.00 C ATOM 297 O GLN A 25 -18.769 9.263 -2.794 1.00 0.00 O ATOM 298 CB GLN A 25 -18.439 6.088 -2.393 1.00 0.00 C ATOM 299 CG GLN A 25 -19.406 5.021 -2.908 1.00 0.00 C ATOM 300 CD GLN A 25 -20.730 5.065 -2.142 1.00 0.00 C ATOM 301 OE1 GLN A 25 -21.770 5.425 -2.668 1.00 0.00 O ATOM 302 NE2 GLN A 25 -20.633 4.679 -0.872 1.00 0.00 N ATOM 0 H GLN A 25 -16.417 5.831 -3.818 1.00 0.00 H new ATOM 0 HA GLN A 25 -18.914 7.127 -4.191 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -17.536 5.612 -2.012 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -18.893 6.623 -1.559 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -19.591 5.176 -3.971 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -18.954 4.035 -2.804 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -19.731 4.389 -0.494 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -21.461 4.673 -0.276 1.00 0.00 H new ATOM 311 N VAL A 26 -16.575 8.744 -2.612 1.00 0.00 N ATOM 312 CA VAL A 26 -16.201 10.034 -2.059 1.00 0.00 C ATOM 313 C VAL A 26 -15.882 11.000 -3.202 1.00 0.00 C ATOM 314 O VAL A 26 -16.090 12.206 -3.076 1.00 0.00 O ATOM 315 CB VAL A 26 -15.041 9.866 -1.076 1.00 0.00 C ATOM 316 CG1 VAL A 26 -15.118 8.515 -0.363 1.00 0.00 C ATOM 317 CG2 VAL A 26 -13.695 10.037 -1.783 1.00 0.00 C ATOM 0 H VAL A 26 -15.802 8.089 -2.726 1.00 0.00 H new ATOM 0 HA VAL A 26 -17.029 10.462 -1.493 1.00 0.00 H new ATOM 0 HB VAL A 26 -15.125 10.648 -0.321 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -14.282 8.421 0.330 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -16.056 8.448 0.189 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -15.071 7.712 -1.099 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -12.887 9.913 -1.062 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -13.599 9.287 -2.569 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -13.639 11.033 -2.223 1.00 0.00 H new ATOM 327 N GLU A 27 -15.381 10.435 -4.290 1.00 0.00 N ATOM 328 CA GLU A 27 -15.030 11.231 -5.454 1.00 0.00 C ATOM 329 C GLU A 27 -16.182 12.169 -5.821 1.00 0.00 C ATOM 330 O GLU A 27 -17.350 11.808 -5.683 1.00 0.00 O ATOM 331 CB GLU A 27 -14.653 10.337 -6.637 1.00 0.00 C ATOM 332 CG GLU A 27 -14.269 11.175 -7.857 1.00 0.00 C ATOM 333 CD GLU A 27 -15.300 11.018 -8.977 1.00 0.00 C ATOM 334 OE1 GLU A 27 -15.541 9.895 -9.445 1.00 0.00 O ATOM 335 OE2 GLU A 27 -15.861 12.115 -9.360 1.00 0.00 O ATOM 0 H GLU A 27 -15.209 9.435 -4.390 1.00 0.00 H new ATOM 0 HA GLU A 27 -14.158 11.836 -5.207 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -13.820 9.691 -6.358 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -15.491 9.687 -6.887 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -14.193 12.224 -7.572 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.286 10.870 -8.217 1.00 0.00 H new ATOM 343 N ALA A 28 -15.813 13.355 -6.281 1.00 0.00 N ATOM 344 CA ALA A 28 -16.800 14.348 -6.669 1.00 0.00 C ATOM 345 C ALA A 28 -16.317 15.079 -7.924 1.00 0.00 C ATOM 346 O ALA A 28 -15.158 14.947 -8.315 1.00 0.00 O ATOM 347 CB ALA A 28 -17.052 15.302 -5.500 1.00 0.00 C ATOM 0 H ALA A 28 -14.843 13.651 -6.394 1.00 0.00 H new ATOM 0 HA ALA A 28 -17.749 13.870 -6.911 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -17.792 16.047 -5.791 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -17.422 14.738 -4.644 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -16.121 15.802 -5.231 1.00 0.00 H new ATOM 353 N GLY A 29 -17.229 15.833 -8.519 1.00 0.00 N ATOM 354 CA GLY A 29 -16.910 16.585 -9.721 1.00 0.00 C ATOM 355 C GLY A 29 -16.524 15.648 -10.867 1.00 0.00 C ATOM 356 O GLY A 29 -16.368 14.445 -10.665 1.00 0.00 O ATOM 0 H GLY A 29 -18.189 15.940 -8.191 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.768 17.190 -10.014 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.090 17.273 -9.517 1.00 0.00 H new ATOM 360 N ASN A 30 -16.381 16.236 -12.046 1.00 0.00 N ATOM 361 CA ASN A 30 -16.016 15.469 -13.225 1.00 0.00 C ATOM 362 C ASN A 30 -14.494 15.480 -13.385 1.00 0.00 C ATOM 363 O ASN A 30 -13.980 15.267 -14.482 1.00 0.00 O ATOM 364 CB ASN A 30 -16.628 16.076 -14.489 1.00 0.00 C ATOM 365 CG ASN A 30 -18.027 15.511 -14.746 1.00 0.00 C ATOM 366 OD1 ASN A 30 -18.965 15.745 -14.002 1.00 0.00 O ATOM 367 ND2 ASN A 30 -18.114 14.757 -15.838 1.00 0.00 N ATOM 0 H ASN A 30 -16.511 17.234 -12.210 1.00 0.00 H new ATOM 0 HA ASN A 30 -16.390 14.454 -13.095 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -16.683 17.160 -14.387 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -15.985 15.869 -15.344 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -19.006 14.334 -16.096 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -17.289 14.601 -16.417 1.00 0.00 H new ATOM 374 N THR A 31 -13.816 15.731 -12.274 1.00 0.00 N ATOM 375 CA THR A 31 -12.364 15.773 -12.277 1.00 0.00 C ATOM 376 C THR A 31 -11.790 14.358 -12.381 1.00 0.00 C ATOM 377 O THR A 31 -10.708 14.163 -12.932 1.00 0.00 O ATOM 378 CB THR A 31 -11.910 16.522 -11.023 1.00 0.00 C ATOM 379 OG1 THR A 31 -10.506 16.283 -10.965 1.00 0.00 O ATOM 380 CG2 THR A 31 -12.449 15.892 -9.737 1.00 0.00 C ATOM 0 H THR A 31 -14.246 15.907 -11.366 1.00 0.00 H new ATOM 0 HA THR A 31 -11.986 16.309 -13.148 1.00 0.00 H new ATOM 0 HB THR A 31 -12.236 17.560 -11.083 1.00 0.00 H new ATOM 0 HG1 THR A 31 -10.129 16.735 -10.181 1.00 0.00 H new ATOM 0 HG21 THR A 31 -12.097 16.462 -8.877 1.00 0.00 H new ATOM 0 HG22 THR A 31 -13.539 15.901 -9.757 1.00 0.00 H new ATOM 0 HG23 THR A 31 -12.096 14.864 -9.660 1.00 0.00 H new ATOM 388 N GLY A 32 -12.540 13.408 -11.842 1.00 0.00 N ATOM 389 CA GLY A 32 -12.120 12.018 -11.867 1.00 0.00 C ATOM 390 C GLY A 32 -11.196 11.703 -10.689 1.00 0.00 C ATOM 391 O GLY A 32 -10.628 10.615 -10.614 1.00 0.00 O ATOM 0 H GLY A 32 -13.437 13.574 -11.385 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -12.995 11.369 -11.831 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -11.605 11.807 -12.804 1.00 0.00 H new ATOM 395 N ARG A 33 -11.075 12.676 -9.797 1.00 0.00 N ATOM 396 CA ARG A 33 -10.230 12.516 -8.626 1.00 0.00 C ATOM 397 C ARG A 33 -11.040 12.756 -7.350 1.00 0.00 C ATOM 398 O ARG A 33 -12.189 13.189 -7.413 1.00 0.00 O ATOM 399 CB ARG A 33 -9.049 13.489 -8.662 1.00 0.00 C ATOM 400 CG ARG A 33 -7.904 12.930 -9.509 1.00 0.00 C ATOM 401 CD ARG A 33 -6.681 13.848 -9.452 1.00 0.00 C ATOM 402 NE ARG A 33 -6.305 14.276 -10.817 1.00 0.00 N ATOM 403 CZ ARG A 33 -5.084 14.743 -11.155 1.00 0.00 C ATOM 404 NH1 ARG A 33 -4.109 14.845 -10.227 1.00 0.00 N ATOM 405 NH2 ARG A 33 -4.858 15.097 -12.406 1.00 0.00 N ATOM 0 H ARG A 33 -11.548 13.577 -9.862 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.846 11.496 -8.631 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -9.374 14.446 -9.070 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -8.697 13.678 -7.648 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -7.634 11.936 -9.152 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -8.232 12.819 -10.543 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -6.899 14.720 -8.836 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -5.847 13.327 -8.983 1.00 0.00 H new ATOM 0 HE ARG A 33 -7.013 14.214 -11.549 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -4.292 14.568 -9.262 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -3.189 15.199 -10.490 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -5.600 15.016 -13.101 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -3.941 15.452 -12.678 1.00 0.00 H new ATOM 418 N VAL A 34 -10.409 12.463 -6.223 1.00 0.00 N ATOM 419 CA VAL A 34 -11.057 12.641 -4.934 1.00 0.00 C ATOM 420 C VAL A 34 -10.877 14.088 -4.474 1.00 0.00 C ATOM 421 O VAL A 34 -9.752 14.547 -4.280 1.00 0.00 O ATOM 422 CB VAL A 34 -10.514 11.622 -3.931 1.00 0.00 C ATOM 423 CG1 VAL A 34 -11.056 11.894 -2.526 1.00 0.00 C ATOM 424 CG2 VAL A 34 -10.832 10.192 -4.374 1.00 0.00 C ATOM 0 H VAL A 34 -9.456 12.103 -6.175 1.00 0.00 H new ATOM 0 HA VAL A 34 -12.128 12.457 -5.016 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.430 11.729 -3.899 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -10.655 11.156 -1.832 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -10.756 12.892 -2.207 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -12.144 11.828 -2.537 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -10.435 9.488 -3.643 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -11.912 10.066 -4.449 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -10.376 10.002 -5.346 1.00 0.00 H new ATOM 434 N LEU A 35 -12.002 14.768 -4.311 1.00 0.00 N ATOM 435 CA LEU A 35 -11.983 16.155 -3.876 1.00 0.00 C ATOM 436 C LEU A 35 -11.376 16.237 -2.474 1.00 0.00 C ATOM 437 O LEU A 35 -11.076 17.325 -1.986 1.00 0.00 O ATOM 438 CB LEU A 35 -13.381 16.768 -3.978 1.00 0.00 C ATOM 439 CG LEU A 35 -13.562 17.852 -5.042 1.00 0.00 C ATOM 440 CD1 LEU A 35 -15.018 18.318 -5.108 1.00 0.00 C ATOM 441 CD2 LEU A 35 -12.597 19.017 -4.808 1.00 0.00 C ATOM 0 H LEU A 35 -12.933 14.385 -4.472 1.00 0.00 H new ATOM 0 HA LEU A 35 -11.350 16.752 -4.533 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -14.093 15.968 -4.178 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -13.642 17.192 -3.008 1.00 0.00 H new ATOM 0 HG LEU A 35 -13.317 17.422 -6.013 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -15.119 19.089 -5.872 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -15.660 17.473 -5.358 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -15.314 18.725 -4.141 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -12.747 19.774 -5.578 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -12.786 19.455 -3.828 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -11.570 18.653 -4.851 1.00 0.00 H new ATOM 453 N ALA A 36 -11.214 15.071 -1.865 1.00 0.00 N ATOM 454 CA ALA A 36 -10.648 14.997 -0.529 1.00 0.00 C ATOM 455 C ALA A 36 -11.736 15.317 0.499 1.00 0.00 C ATOM 456 O ALA A 36 -11.988 14.526 1.407 1.00 0.00 O ATOM 457 CB ALA A 36 -9.453 15.947 -0.427 1.00 0.00 C ATOM 0 H ALA A 36 -11.465 14.170 -2.272 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.283 13.991 -0.322 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -9.028 15.891 0.575 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -8.697 15.660 -1.158 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -9.781 16.967 -0.626 1.00 0.00 H new ATOM 463 N LEU A 37 -12.351 16.477 0.321 1.00 0.00 N ATOM 464 CA LEU A 37 -13.405 16.911 1.222 1.00 0.00 C ATOM 465 C LEU A 37 -14.351 15.739 1.494 1.00 0.00 C ATOM 466 O LEU A 37 -14.653 15.436 2.648 1.00 0.00 O ATOM 467 CB LEU A 37 -14.108 18.151 0.666 1.00 0.00 C ATOM 468 CG LEU A 37 -13.462 19.496 1.005 1.00 0.00 C ATOM 469 CD1 LEU A 37 -13.748 19.891 2.455 1.00 0.00 C ATOM 470 CD2 LEU A 37 -11.962 19.476 0.702 1.00 0.00 C ATOM 0 H LEU A 37 -12.140 17.130 -0.434 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.986 17.213 2.182 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -14.161 18.059 -0.419 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -15.133 18.159 1.035 1.00 0.00 H new ATOM 0 HG LEU A 37 -13.909 20.260 0.369 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -13.278 20.850 2.670 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -14.825 19.973 2.604 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -13.346 19.131 3.125 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -11.527 20.444 0.952 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -11.481 18.698 1.295 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -11.808 19.272 -0.357 1.00 0.00 H new ATOM 482 N ASP A 38 -14.791 15.112 0.414 1.00 0.00 N ATOM 483 CA ASP A 38 -15.696 13.980 0.522 1.00 0.00 C ATOM 484 C ASP A 38 -14.965 12.809 1.182 1.00 0.00 C ATOM 485 O ASP A 38 -15.555 12.067 1.966 1.00 0.00 O ATOM 486 CB ASP A 38 -16.173 13.522 -0.858 1.00 0.00 C ATOM 487 CG ASP A 38 -17.543 14.058 -1.279 1.00 0.00 C ATOM 488 OD1 ASP A 38 -18.403 13.304 -1.759 1.00 0.00 O ATOM 489 OD2 ASP A 38 -17.715 15.323 -1.094 1.00 0.00 O ATOM 0 H ASP A 38 -14.538 15.366 -0.541 1.00 0.00 H new ATOM 0 HA ASP A 38 -16.556 14.291 1.116 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -15.436 13.828 -1.601 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -16.206 12.433 -0.871 1.00 0.00 H new ATOM 495 N ALA A 39 -13.692 12.680 0.841 1.00 0.00 N ATOM 496 CA ALA A 39 -12.874 11.613 1.390 1.00 0.00 C ATOM 497 C ALA A 39 -13.014 11.601 2.914 1.00 0.00 C ATOM 498 O ALA A 39 -13.214 10.546 3.515 1.00 0.00 O ATOM 499 CB ALA A 39 -11.423 11.797 0.940 1.00 0.00 C ATOM 0 H ALA A 39 -13.206 13.298 0.190 1.00 0.00 H new ATOM 0 HA ALA A 39 -13.210 10.644 1.020 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -10.810 10.996 1.352 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -11.373 11.768 -0.148 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -11.051 12.758 1.295 1.00 0.00 H new ATOM 505 N ALA A 40 -12.904 12.787 3.495 1.00 0.00 N ATOM 506 CA ALA A 40 -13.016 12.926 4.937 1.00 0.00 C ATOM 507 C ALA A 40 -14.430 12.537 5.374 1.00 0.00 C ATOM 508 O ALA A 40 -14.629 12.062 6.491 1.00 0.00 O ATOM 509 CB ALA A 40 -12.654 14.357 5.341 1.00 0.00 C ATOM 0 H ALA A 40 -12.739 13.660 2.994 1.00 0.00 H new ATOM 0 HA ALA A 40 -12.319 12.258 5.443 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -12.738 14.462 6.423 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -11.631 14.574 5.034 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -13.335 15.056 4.855 1.00 0.00 H new ATOM 515 N ALA A 41 -15.375 12.753 4.471 1.00 0.00 N ATOM 516 CA ALA A 41 -16.764 12.430 4.750 1.00 0.00 C ATOM 517 C ALA A 41 -16.900 10.921 4.960 1.00 0.00 C ATOM 518 O ALA A 41 -17.315 10.474 6.029 1.00 0.00 O ATOM 519 CB ALA A 41 -17.646 12.942 3.609 1.00 0.00 C ATOM 0 H ALA A 41 -15.206 13.148 3.546 1.00 0.00 H new ATOM 0 HA ALA A 41 -17.096 12.921 5.665 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -18.688 12.700 3.818 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -17.535 14.023 3.520 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -17.344 12.469 2.675 1.00 0.00 H new ATOM 525 N PHE A 42 -16.544 10.176 3.924 1.00 0.00 N ATOM 526 CA PHE A 42 -16.621 8.727 3.982 1.00 0.00 C ATOM 527 C PHE A 42 -15.624 8.164 4.997 1.00 0.00 C ATOM 528 O PHE A 42 -15.989 7.354 5.847 1.00 0.00 O ATOM 529 CB PHE A 42 -16.263 8.204 2.589 1.00 0.00 C ATOM 530 CG PHE A 42 -15.984 6.700 2.542 1.00 0.00 C ATOM 531 CD1 PHE A 42 -17.016 5.815 2.589 1.00 0.00 C ATOM 532 CD2 PHE A 42 -14.704 6.249 2.454 1.00 0.00 C ATOM 533 CE1 PHE A 42 -16.756 4.420 2.545 1.00 0.00 C ATOM 534 CE2 PHE A 42 -14.445 4.853 2.410 1.00 0.00 C ATOM 535 CZ PHE A 42 -15.477 3.968 2.457 1.00 0.00 C ATOM 0 H PHE A 42 -16.201 10.550 3.039 1.00 0.00 H new ATOM 0 HA PHE A 42 -17.621 8.420 4.288 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -17.080 8.433 1.905 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -15.385 8.738 2.226 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -18.032 6.173 2.660 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -13.885 6.952 2.418 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -17.575 3.717 2.581 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -13.429 4.494 2.339 1.00 0.00 H new ATOM 0 HZ PHE A 42 -15.280 2.907 2.424 1.00 0.00 H new ATOM 545 N LEU A 43 -14.385 8.617 4.874 1.00 0.00 N ATOM 546 CA LEU A 43 -13.332 8.170 5.770 1.00 0.00 C ATOM 547 C LEU A 43 -13.815 8.289 7.217 1.00 0.00 C ATOM 548 O LEU A 43 -13.640 7.366 8.012 1.00 0.00 O ATOM 549 CB LEU A 43 -12.033 8.928 5.491 1.00 0.00 C ATOM 550 CG LEU A 43 -11.315 8.571 4.188 1.00 0.00 C ATOM 551 CD1 LEU A 43 -10.166 9.543 3.912 1.00 0.00 C ATOM 552 CD2 LEU A 43 -10.843 7.115 4.203 1.00 0.00 C ATOM 0 H LEU A 43 -14.087 9.289 4.167 1.00 0.00 H new ATOM 0 HA LEU A 43 -13.104 7.119 5.595 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.254 9.995 5.480 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.348 8.752 6.320 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.026 8.671 3.368 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -9.672 9.267 2.980 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.559 10.556 3.828 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -9.447 9.499 4.730 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -10.336 6.887 3.265 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.154 6.964 5.034 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -11.703 6.455 4.320 1.00 0.00 H new ATOM 564 N LYS A 44 -14.415 9.432 7.515 1.00 0.00 N ATOM 565 CA LYS A 44 -14.924 9.684 8.852 1.00 0.00 C ATOM 566 C LYS A 44 -15.857 8.542 9.261 1.00 0.00 C ATOM 567 O LYS A 44 -16.070 8.304 10.449 1.00 0.00 O ATOM 568 CB LYS A 44 -15.575 11.066 8.926 1.00 0.00 C ATOM 569 CG LYS A 44 -14.527 12.153 9.173 1.00 0.00 C ATOM 570 CD LYS A 44 -14.582 12.649 10.620 1.00 0.00 C ATOM 571 CE LYS A 44 -14.436 14.171 10.683 1.00 0.00 C ATOM 572 NZ LYS A 44 -15.651 14.784 11.266 1.00 0.00 N ATOM 0 H LYS A 44 -14.560 10.194 6.853 1.00 0.00 H new ATOM 0 HA LYS A 44 -14.107 9.703 9.573 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -16.106 11.272 7.997 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -16.315 11.081 9.726 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -13.533 11.761 8.957 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -14.696 12.987 8.492 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -15.527 12.351 11.075 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -13.787 12.179 11.200 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -13.565 14.434 11.283 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -14.266 14.568 9.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -15.536 15.817 11.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -16.475 14.548 10.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -15.796 14.418 12.229 1.00 0.00 H new ATOM 583 N LYS A 45 -16.389 7.866 8.253 1.00 0.00 N ATOM 584 CA LYS A 45 -17.295 6.755 8.493 1.00 0.00 C ATOM 585 C LYS A 45 -16.488 5.529 8.925 1.00 0.00 C ATOM 586 O LYS A 45 -17.056 4.475 9.206 1.00 0.00 O ATOM 587 CB LYS A 45 -18.177 6.509 7.268 1.00 0.00 C ATOM 588 CG LYS A 45 -18.759 7.822 6.738 1.00 0.00 C ATOM 589 CD LYS A 45 -19.901 7.559 5.755 1.00 0.00 C ATOM 590 CE LYS A 45 -20.420 8.867 5.155 1.00 0.00 C ATOM 591 NZ LYS A 45 -21.580 9.367 5.927 1.00 0.00 N ATOM 0 H LYS A 45 -16.210 8.066 7.269 1.00 0.00 H new ATOM 0 HA LYS A 45 -17.979 6.991 9.308 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -17.592 6.024 6.486 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -18.987 5.828 7.529 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -19.123 8.425 7.570 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -17.976 8.398 6.245 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -19.555 6.901 4.958 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -20.713 7.041 6.266 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -19.626 9.614 5.155 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -20.708 8.708 4.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -21.920 10.255 5.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -22.342 8.660 5.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -21.294 9.538 6.912 1.00 0.00 H new ATOM 602 N SER A 46 -15.175 5.708 8.965 1.00 0.00 N ATOM 603 CA SER A 46 -14.285 4.630 9.358 1.00 0.00 C ATOM 604 C SER A 46 -14.614 4.171 10.780 1.00 0.00 C ATOM 605 O SER A 46 -15.131 3.073 10.978 1.00 0.00 O ATOM 606 CB SER A 46 -12.820 5.064 9.266 1.00 0.00 C ATOM 607 OG SER A 46 -12.511 6.098 10.196 1.00 0.00 O ATOM 0 H SER A 46 -14.707 6.584 8.732 1.00 0.00 H new ATOM 0 HA SER A 46 -14.433 3.797 8.671 1.00 0.00 H new ATOM 0 HB2 SER A 46 -12.175 4.205 9.451 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.607 5.410 8.255 1.00 0.00 H new ATOM 0 HG SER A 46 -12.774 6.964 9.821 1.00 0.00 H new ATOM 613 N GLY A 47 -14.301 5.036 11.734 1.00 0.00 N ATOM 614 CA GLY A 47 -14.557 4.733 13.132 1.00 0.00 C ATOM 615 C GLY A 47 -13.622 5.528 14.045 1.00 0.00 C ATOM 616 O GLY A 47 -13.935 5.756 15.213 1.00 0.00 O ATOM 0 H GLY A 47 -13.873 5.946 11.566 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -15.594 4.967 13.375 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -14.422 3.666 13.307 1.00 0.00 H new ATOM 620 N LEU A 48 -12.493 5.929 13.479 1.00 0.00 N ATOM 621 CA LEU A 48 -11.511 6.693 14.227 1.00 0.00 C ATOM 622 C LEU A 48 -12.027 8.119 14.430 1.00 0.00 C ATOM 623 O LEU A 48 -12.908 8.574 13.702 1.00 0.00 O ATOM 624 CB LEU A 48 -10.144 6.626 13.542 1.00 0.00 C ATOM 625 CG LEU A 48 -9.391 5.301 13.677 1.00 0.00 C ATOM 626 CD1 LEU A 48 -8.274 5.197 12.637 1.00 0.00 C ATOM 627 CD2 LEU A 48 -8.868 5.110 15.102 1.00 0.00 C ATOM 0 H LEU A 48 -12.237 5.739 12.510 1.00 0.00 H new ATOM 0 HA LEU A 48 -11.367 6.261 15.217 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -10.280 6.837 12.481 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -9.517 7.420 13.947 1.00 0.00 H new ATOM 0 HG LEU A 48 -10.091 4.489 13.480 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.755 4.246 12.755 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.702 5.255 11.636 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.568 6.016 12.778 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.337 4.161 15.170 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.189 5.925 15.353 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.705 5.108 15.800 1.00 0.00 H new ATOM 639 N PRO A 49 -11.441 8.803 15.450 1.00 0.00 N ATOM 640 CA PRO A 49 -11.833 10.168 15.758 1.00 0.00 C ATOM 641 C PRO A 49 -11.264 11.147 14.729 1.00 0.00 C ATOM 642 O PRO A 49 -10.761 10.733 13.685 1.00 0.00 O ATOM 643 CB PRO A 49 -11.315 10.418 17.165 1.00 0.00 C ATOM 644 CG PRO A 49 -10.255 9.357 17.413 1.00 0.00 C ATOM 645 CD PRO A 49 -10.395 8.297 16.333 1.00 0.00 C ATOM 0 HA PRO A 49 -12.912 10.316 15.713 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -10.894 11.419 17.254 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -12.120 10.345 17.896 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.259 9.799 17.387 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -10.382 8.914 18.401 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -9.458 8.154 15.795 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -10.669 7.332 16.759 1.00 0.00 H new ATOM 653 N ASP A 50 -11.364 12.426 15.058 1.00 0.00 N ATOM 654 CA ASP A 50 -10.866 13.468 14.175 1.00 0.00 C ATOM 655 C ASP A 50 -9.382 13.705 14.460 1.00 0.00 C ATOM 656 O ASP A 50 -8.606 13.976 13.545 1.00 0.00 O ATOM 657 CB ASP A 50 -11.609 14.786 14.404 1.00 0.00 C ATOM 658 CG ASP A 50 -10.910 16.027 13.846 1.00 0.00 C ATOM 659 OD1 ASP A 50 -9.967 16.556 14.453 1.00 0.00 O ATOM 660 OD2 ASP A 50 -11.378 16.457 12.723 1.00 0.00 O ATOM 0 H ASP A 50 -11.783 12.765 15.924 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.021 13.142 13.147 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.599 14.711 13.953 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.756 14.921 15.475 1.00 0.00 H new ATOM 666 N LEU A 51 -9.032 13.595 15.734 1.00 0.00 N ATOM 667 CA LEU A 51 -7.654 13.795 16.151 1.00 0.00 C ATOM 668 C LEU A 51 -6.757 12.785 15.432 1.00 0.00 C ATOM 669 O LEU A 51 -5.937 13.163 14.596 1.00 0.00 O ATOM 670 CB LEU A 51 -7.543 13.740 17.676 1.00 0.00 C ATOM 671 CG LEU A 51 -6.354 12.956 18.234 1.00 0.00 C ATOM 672 CD1 LEU A 51 -5.049 13.387 17.561 1.00 0.00 C ATOM 673 CD2 LEU A 51 -6.282 13.080 19.757 1.00 0.00 C ATOM 0 H LEU A 51 -9.678 13.370 16.490 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.309 14.789 15.865 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.489 14.761 18.054 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -8.459 13.302 18.072 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.502 11.901 18.004 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.219 12.814 17.976 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.115 13.205 16.488 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.881 14.449 17.739 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.428 12.513 20.128 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.169 14.129 20.032 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.198 12.686 20.198 1.00 0.00 H new ATOM 685 N ILE A 52 -6.942 11.521 15.784 1.00 0.00 N ATOM 686 CA ILE A 52 -6.160 10.455 15.183 1.00 0.00 C ATOM 687 C ILE A 52 -6.244 10.562 13.659 1.00 0.00 C ATOM 688 O ILE A 52 -5.264 10.309 12.960 1.00 0.00 O ATOM 689 CB ILE A 52 -6.600 9.095 15.729 1.00 0.00 C ATOM 690 CG1 ILE A 52 -6.435 9.034 17.249 1.00 0.00 C ATOM 691 CG2 ILE A 52 -5.858 7.956 15.026 1.00 0.00 C ATOM 692 CD1 ILE A 52 -4.980 8.756 17.631 1.00 0.00 C ATOM 0 H ILE A 52 -7.622 11.212 16.478 1.00 0.00 H new ATOM 0 HA ILE A 52 -5.109 10.556 15.452 1.00 0.00 H new ATOM 0 HB ILE A 52 -7.661 8.969 15.515 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -6.757 9.976 17.692 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -7.077 8.254 17.657 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.189 7.000 15.433 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -6.070 7.989 13.957 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.786 8.067 15.187 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.890 8.718 18.717 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.669 7.801 17.207 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.343 9.551 17.242 1.00 0.00 H new ATOM 704 N LEU A 53 -7.425 10.938 13.189 1.00 0.00 N ATOM 705 CA LEU A 53 -7.650 11.082 11.761 1.00 0.00 C ATOM 706 C LEU A 53 -6.700 12.145 11.204 1.00 0.00 C ATOM 707 O LEU A 53 -5.991 11.899 10.230 1.00 0.00 O ATOM 708 CB LEU A 53 -9.126 11.368 11.477 1.00 0.00 C ATOM 709 CG LEU A 53 -10.013 10.143 11.245 1.00 0.00 C ATOM 710 CD1 LEU A 53 -11.490 10.538 11.194 1.00 0.00 C ATOM 711 CD2 LEU A 53 -9.580 9.382 9.990 1.00 0.00 C ATOM 0 H LEU A 53 -8.235 11.147 13.772 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.424 10.149 11.244 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.534 11.934 12.315 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.189 12.009 10.598 1.00 0.00 H new ATOM 0 HG LEU A 53 -9.889 9.466 12.091 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -12.099 9.649 11.028 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -11.775 11.002 12.138 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -11.650 11.244 10.379 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -10.227 8.516 9.848 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -9.656 10.038 9.123 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -8.548 9.049 10.104 1.00 0.00 H new ATOM 723 N GLY A 54 -6.717 13.303 11.847 1.00 0.00 N ATOM 724 CA GLY A 54 -5.866 14.404 11.428 1.00 0.00 C ATOM 725 C GLY A 54 -4.481 13.901 11.018 1.00 0.00 C ATOM 726 O GLY A 54 -3.942 14.321 9.995 1.00 0.00 O ATOM 0 H GLY A 54 -7.307 13.503 12.655 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.329 14.928 10.592 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.770 15.124 12.241 1.00 0.00 H new ATOM 730 N LYS A 55 -3.944 13.009 11.837 1.00 0.00 N ATOM 731 CA LYS A 55 -2.632 12.444 11.572 1.00 0.00 C ATOM 732 C LYS A 55 -2.672 11.667 10.255 1.00 0.00 C ATOM 733 O LYS A 55 -1.768 11.791 9.430 1.00 0.00 O ATOM 734 CB LYS A 55 -2.158 11.610 12.764 1.00 0.00 C ATOM 735 CG LYS A 55 -1.413 12.478 13.780 1.00 0.00 C ATOM 736 CD LYS A 55 0.053 12.054 13.894 1.00 0.00 C ATOM 737 CE LYS A 55 0.548 12.179 15.336 1.00 0.00 C ATOM 738 NZ LYS A 55 1.852 12.877 15.377 1.00 0.00 N ATOM 0 H LYS A 55 -4.394 12.663 12.685 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.893 13.236 11.452 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.014 11.136 13.244 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.505 10.810 12.416 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.470 13.525 13.481 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.895 12.398 14.754 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.165 11.024 13.555 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.667 12.673 13.240 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.183 12.726 15.932 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.645 11.189 15.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.174 12.954 16.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.551 12.340 14.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.749 13.829 14.972 1.00 0.00 H new ATOM 749 N ILE A 56 -3.729 10.884 10.099 1.00 0.00 N ATOM 750 CA ILE A 56 -3.898 10.087 8.895 1.00 0.00 C ATOM 751 C ILE A 56 -3.798 10.996 7.669 1.00 0.00 C ATOM 752 O ILE A 56 -2.984 10.755 6.778 1.00 0.00 O ATOM 753 CB ILE A 56 -5.200 9.286 8.962 1.00 0.00 C ATOM 754 CG1 ILE A 56 -5.167 8.280 10.114 1.00 0.00 C ATOM 755 CG2 ILE A 56 -5.499 8.613 7.621 1.00 0.00 C ATOM 756 CD1 ILE A 56 -6.397 7.371 10.085 1.00 0.00 C ATOM 0 H ILE A 56 -4.477 10.784 10.785 1.00 0.00 H new ATOM 0 HA ILE A 56 -3.100 9.349 8.811 1.00 0.00 H new ATOM 0 HB ILE A 56 -6.017 9.979 9.164 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.262 7.676 10.048 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -5.126 8.812 11.065 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -6.429 8.050 7.696 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.596 9.373 6.846 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.685 7.935 7.364 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -6.348 6.666 10.915 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -7.299 7.976 10.176 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -6.422 6.822 9.143 1.00 0.00 H new ATOM 768 N TRP A 57 -4.636 12.022 7.662 1.00 0.00 N ATOM 769 CA TRP A 57 -4.652 12.968 6.559 1.00 0.00 C ATOM 770 C TRP A 57 -3.234 13.517 6.387 1.00 0.00 C ATOM 771 O TRP A 57 -2.651 13.413 5.309 1.00 0.00 O ATOM 772 CB TRP A 57 -5.693 14.064 6.792 1.00 0.00 C ATOM 773 CG TRP A 57 -6.028 14.880 5.542 1.00 0.00 C ATOM 774 CD1 TRP A 57 -5.240 15.742 4.884 1.00 0.00 C ATOM 775 CD2 TRP A 57 -7.278 14.876 4.821 1.00 0.00 C ATOM 776 NE1 TRP A 57 -5.889 16.291 3.797 1.00 0.00 N ATOM 777 CE2 TRP A 57 -7.168 15.748 3.757 1.00 0.00 C ATOM 778 CE3 TRP A 57 -8.464 14.159 5.061 1.00 0.00 C ATOM 779 CZ2 TRP A 57 -8.206 15.984 2.849 1.00 0.00 C ATOM 780 CZ3 TRP A 57 -9.492 14.406 4.144 1.00 0.00 C ATOM 781 CH2 TRP A 57 -9.397 15.280 3.068 1.00 0.00 C ATOM 0 H TRP A 57 -5.309 12.219 8.403 1.00 0.00 H new ATOM 0 HA TRP A 57 -4.950 12.476 5.633 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -6.607 13.608 7.171 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -5.328 14.738 7.567 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -4.225 15.977 5.169 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -5.501 16.971 3.143 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -8.573 13.472 5.887 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -8.095 16.672 2.024 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -10.425 13.880 4.282 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -10.238 15.416 2.404 1.00 0.00 H new ATOM 792 N ASP A 58 -2.720 14.089 7.466 1.00 0.00 N ATOM 793 CA ASP A 58 -1.382 14.655 7.448 1.00 0.00 C ATOM 794 C ASP A 58 -0.423 13.664 6.784 1.00 0.00 C ATOM 795 O ASP A 58 0.449 14.060 6.013 1.00 0.00 O ATOM 796 CB ASP A 58 -0.878 14.922 8.867 1.00 0.00 C ATOM 797 CG ASP A 58 0.131 16.066 8.991 1.00 0.00 C ATOM 798 OD1 ASP A 58 1.255 15.984 8.474 1.00 0.00 O ATOM 799 OD2 ASP A 58 -0.283 17.088 9.660 1.00 0.00 O ATOM 0 H ASP A 58 -3.206 14.173 8.359 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.420 15.594 6.896 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.734 15.142 9.505 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.420 14.011 9.251 1.00 0.00 H new ATOM 805 N LEU A 59 -0.617 12.394 7.109 1.00 0.00 N ATOM 806 CA LEU A 59 0.219 11.344 6.554 1.00 0.00 C ATOM 807 C LEU A 59 -0.197 11.078 5.106 1.00 0.00 C ATOM 808 O LEU A 59 0.636 10.724 4.272 1.00 0.00 O ATOM 809 CB LEU A 59 0.178 10.099 7.443 1.00 0.00 C ATOM 810 CG LEU A 59 0.896 8.862 6.901 1.00 0.00 C ATOM 811 CD1 LEU A 59 0.017 8.114 5.897 1.00 0.00 C ATOM 812 CD2 LEU A 59 2.256 9.235 6.306 1.00 0.00 C ATOM 0 H LEU A 59 -1.341 12.069 7.750 1.00 0.00 H new ATOM 0 HA LEU A 59 1.262 11.660 6.534 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.614 10.353 8.409 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.865 9.839 7.622 1.00 0.00 H new ATOM 0 HG LEU A 59 1.083 8.183 7.733 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.551 7.239 5.527 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.904 7.797 6.385 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.223 8.772 5.062 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.746 8.338 5.928 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.114 9.943 5.489 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.878 9.690 7.077 1.00 0.00 H new ATOM 824 N ALA A 60 -1.484 11.259 4.850 1.00 0.00 N ATOM 825 CA ALA A 60 -2.020 11.044 3.517 1.00 0.00 C ATOM 826 C ALA A 60 -1.458 12.105 2.569 1.00 0.00 C ATOM 827 O ALA A 60 -0.772 11.777 1.602 1.00 0.00 O ATOM 828 CB ALA A 60 -3.549 11.062 3.572 1.00 0.00 C ATOM 0 H ALA A 60 -2.172 11.552 5.544 1.00 0.00 H new ATOM 0 HA ALA A 60 -1.719 10.068 3.135 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.951 10.901 2.572 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.899 10.271 4.235 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.888 12.027 3.948 1.00 0.00 H new ATOM 834 N ASP A 61 -1.771 13.355 2.878 1.00 0.00 N ATOM 835 CA ASP A 61 -1.305 14.466 2.065 1.00 0.00 C ATOM 836 C ASP A 61 0.130 14.194 1.611 1.00 0.00 C ATOM 837 O ASP A 61 1.004 13.923 2.433 1.00 0.00 O ATOM 838 CB ASP A 61 -1.309 15.771 2.863 1.00 0.00 C ATOM 839 CG ASP A 61 -0.547 16.928 2.213 1.00 0.00 C ATOM 840 OD1 ASP A 61 -0.708 17.207 1.016 1.00 0.00 O ATOM 841 OD2 ASP A 61 0.252 17.564 3.001 1.00 0.00 O ATOM 0 H ASP A 61 -2.341 13.623 3.680 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.975 14.563 1.211 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.342 16.080 3.021 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.879 15.580 3.846 1.00 0.00 H new ATOM 847 N THR A 62 0.328 14.275 0.303 1.00 0.00 N ATOM 848 CA THR A 62 1.643 14.041 -0.270 1.00 0.00 C ATOM 849 C THR A 62 1.630 14.334 -1.771 1.00 0.00 C ATOM 850 O THR A 62 2.472 15.079 -2.269 1.00 0.00 O ATOM 851 CB THR A 62 2.056 12.606 0.065 1.00 0.00 C ATOM 852 OG1 THR A 62 2.768 12.727 1.293 1.00 0.00 O ATOM 853 CG2 THR A 62 3.093 12.052 -0.914 1.00 0.00 C ATOM 0 H THR A 62 -0.400 14.499 -0.376 1.00 0.00 H new ATOM 0 HA THR A 62 2.386 14.716 0.155 1.00 0.00 H new ATOM 0 HB THR A 62 1.175 11.965 0.062 1.00 0.00 H new ATOM 0 HG1 THR A 62 2.133 12.859 2.028 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.352 11.032 -0.631 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.680 12.055 -1.923 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.988 12.674 -0.887 1.00 0.00 H new ATOM 861 N ASP A 63 0.664 13.734 -2.451 1.00 0.00 N ATOM 862 CA ASP A 63 0.530 13.922 -3.886 1.00 0.00 C ATOM 863 C ASP A 63 0.040 15.344 -4.166 1.00 0.00 C ATOM 864 O ASP A 63 0.745 16.136 -4.788 1.00 0.00 O ATOM 865 CB ASP A 63 -0.490 12.946 -4.476 1.00 0.00 C ATOM 866 CG ASP A 63 -0.067 12.286 -5.790 1.00 0.00 C ATOM 867 OD1 ASP A 63 1.119 12.284 -6.151 1.00 0.00 O ATOM 868 OD2 ASP A 63 -1.027 11.749 -6.464 1.00 0.00 O ATOM 0 H ASP A 63 -0.034 13.117 -2.035 1.00 0.00 H new ATOM 0 HA ASP A 63 1.504 13.745 -4.342 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.690 12.165 -3.742 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.427 13.478 -4.639 1.00 0.00 H new ATOM 874 N GLY A 64 -1.166 15.625 -3.692 1.00 0.00 N ATOM 875 CA GLY A 64 -1.758 16.937 -3.884 1.00 0.00 C ATOM 876 C GLY A 64 -1.854 17.694 -2.558 1.00 0.00 C ATOM 877 O GLY A 64 -0.880 17.773 -1.811 1.00 0.00 O ATOM 0 H GLY A 64 -1.748 14.966 -3.176 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -1.159 17.510 -4.592 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.752 16.831 -4.319 1.00 0.00 H new ATOM 881 N LYS A 65 -3.039 18.232 -2.305 1.00 0.00 N ATOM 882 CA LYS A 65 -3.275 18.980 -1.082 1.00 0.00 C ATOM 883 C LYS A 65 -4.768 18.949 -0.751 1.00 0.00 C ATOM 884 O LYS A 65 -5.152 18.642 0.377 1.00 0.00 O ATOM 885 CB LYS A 65 -2.701 20.394 -1.198 1.00 0.00 C ATOM 886 CG LYS A 65 -3.205 21.088 -2.465 1.00 0.00 C ATOM 887 CD LYS A 65 -4.385 22.010 -2.152 1.00 0.00 C ATOM 888 CE LYS A 65 -3.898 23.367 -1.639 1.00 0.00 C ATOM 889 NZ LYS A 65 -4.958 24.032 -0.848 1.00 0.00 N ATOM 0 H LYS A 65 -3.845 18.164 -2.926 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.752 18.516 -0.246 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.984 20.978 -0.322 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -1.612 20.348 -1.213 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -2.397 21.665 -2.914 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -3.508 20.340 -3.198 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.989 22.151 -3.048 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.028 21.544 -1.405 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -3.008 23.232 -1.025 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -3.612 23.999 -2.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -4.612 24.952 -0.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -5.797 24.178 -1.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -5.211 23.435 -0.035 1.00 0.00 H new ATOM 900 N GLY A 66 -5.571 19.271 -1.754 1.00 0.00 N ATOM 901 CA GLY A 66 -7.014 19.284 -1.584 1.00 0.00 C ATOM 902 C GLY A 66 -7.668 18.137 -2.356 1.00 0.00 C ATOM 903 O GLY A 66 -8.887 18.108 -2.518 1.00 0.00 O ATOM 0 H GLY A 66 -5.250 19.525 -2.688 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.260 19.201 -0.525 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -7.416 20.236 -1.931 1.00 0.00 H new ATOM 907 N VAL A 67 -6.828 17.219 -2.813 1.00 0.00 N ATOM 908 CA VAL A 67 -7.309 16.073 -3.565 1.00 0.00 C ATOM 909 C VAL A 67 -6.494 14.836 -3.178 1.00 0.00 C ATOM 910 O VAL A 67 -5.302 14.938 -2.894 1.00 0.00 O ATOM 911 CB VAL A 67 -7.263 16.373 -5.064 1.00 0.00 C ATOM 912 CG1 VAL A 67 -7.868 15.224 -5.873 1.00 0.00 C ATOM 913 CG2 VAL A 67 -7.964 17.696 -5.380 1.00 0.00 C ATOM 0 H VAL A 67 -5.818 17.246 -2.677 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.351 15.866 -3.320 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.217 16.471 -5.354 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.822 15.464 -6.935 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.306 14.310 -5.683 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.907 15.079 -5.578 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.917 17.886 -6.452 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.007 17.639 -5.067 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.469 18.507 -4.846 1.00 0.00 H new ATOM 923 N LEU A 68 -7.171 13.697 -3.178 1.00 0.00 N ATOM 924 CA LEU A 68 -6.525 12.443 -2.830 1.00 0.00 C ATOM 925 C LEU A 68 -6.210 11.665 -4.109 1.00 0.00 C ATOM 926 O LEU A 68 -6.292 12.211 -5.208 1.00 0.00 O ATOM 927 CB LEU A 68 -7.378 11.661 -1.829 1.00 0.00 C ATOM 928 CG LEU A 68 -7.838 12.434 -0.592 1.00 0.00 C ATOM 929 CD1 LEU A 68 -8.579 11.517 0.384 1.00 0.00 C ATOM 930 CD2 LEU A 68 -6.663 13.151 0.076 1.00 0.00 C ATOM 0 H LEU A 68 -8.160 13.616 -3.413 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.576 12.630 -2.328 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.260 11.287 -2.348 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.810 10.791 -1.499 1.00 0.00 H new ATOM 0 HG LEU A 68 -8.543 13.201 -0.912 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.895 12.092 1.255 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -9.454 11.093 -0.108 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.916 10.712 0.702 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.018 13.693 0.953 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.915 12.419 0.380 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.217 13.853 -0.628 1.00 0.00 H new ATOM 942 N SER A 69 -5.855 10.402 -3.923 1.00 0.00 N ATOM 943 CA SER A 69 -5.527 9.544 -5.049 1.00 0.00 C ATOM 944 C SER A 69 -5.721 8.076 -4.662 1.00 0.00 C ATOM 945 O SER A 69 -6.009 7.768 -3.506 1.00 0.00 O ATOM 946 CB SER A 69 -4.092 9.782 -5.523 1.00 0.00 C ATOM 947 OG SER A 69 -3.676 11.129 -5.311 1.00 0.00 O ATOM 0 H SER A 69 -5.787 9.952 -3.010 1.00 0.00 H new ATOM 0 HA SER A 69 -6.198 9.788 -5.872 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.419 9.107 -4.994 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.016 9.542 -6.583 1.00 0.00 H new ATOM 0 HG SER A 69 -2.801 11.271 -5.729 1.00 0.00 H new ATOM 953 N LYS A 70 -5.555 7.210 -5.650 1.00 0.00 N ATOM 954 CA LYS A 70 -5.709 5.782 -5.428 1.00 0.00 C ATOM 955 C LYS A 70 -4.947 5.383 -4.162 1.00 0.00 C ATOM 956 O LYS A 70 -5.503 5.408 -3.065 1.00 0.00 O ATOM 957 CB LYS A 70 -5.287 4.998 -6.672 1.00 0.00 C ATOM 958 CG LYS A 70 -4.075 5.645 -7.344 1.00 0.00 C ATOM 959 CD LYS A 70 -4.476 6.336 -8.649 1.00 0.00 C ATOM 960 CE LYS A 70 -3.339 7.213 -9.177 1.00 0.00 C ATOM 961 NZ LYS A 70 -3.257 7.124 -10.652 1.00 0.00 N ATOM 0 H LYS A 70 -5.315 7.469 -6.607 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.757 5.533 -5.263 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.048 3.971 -6.395 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -6.117 4.953 -7.377 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.624 6.371 -6.668 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.319 4.886 -7.547 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.739 5.587 -9.396 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.364 6.946 -8.484 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.502 8.248 -8.878 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.394 6.898 -8.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.480 7.725 -10.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -3.080 6.138 -10.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.153 7.446 -11.070 1.00 0.00 H new ATOM 972 N GLN A 71 -3.687 5.024 -4.356 1.00 0.00 N ATOM 973 CA GLN A 71 -2.843 4.621 -3.244 1.00 0.00 C ATOM 974 C GLN A 71 -3.131 5.488 -2.017 1.00 0.00 C ATOM 975 O GLN A 71 -3.409 4.969 -0.937 1.00 0.00 O ATOM 976 CB GLN A 71 -1.363 4.686 -3.627 1.00 0.00 C ATOM 977 CG GLN A 71 -0.669 3.348 -3.363 1.00 0.00 C ATOM 978 CD GLN A 71 0.510 3.522 -2.403 1.00 0.00 C ATOM 979 OE1 GLN A 71 1.542 4.077 -2.741 1.00 0.00 O ATOM 980 NE2 GLN A 71 0.299 3.017 -1.190 1.00 0.00 N ATOM 0 H GLN A 71 -3.230 5.004 -5.267 1.00 0.00 H new ATOM 0 HA GLN A 71 -3.074 3.585 -2.995 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.268 4.948 -4.681 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.870 5.474 -3.057 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.384 2.640 -2.943 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.317 2.925 -4.304 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.589 2.565 -0.973 1.00 0.00 H new ATOM 0 HE22 GLN A 71 1.025 3.082 -0.477 1.00 0.00 H new ATOM 989 N GLU A 72 -3.055 6.795 -2.225 1.00 0.00 N ATOM 990 CA GLU A 72 -3.304 7.739 -1.149 1.00 0.00 C ATOM 991 C GLU A 72 -4.504 7.288 -0.314 1.00 0.00 C ATOM 992 O GLU A 72 -4.337 6.771 0.790 1.00 0.00 O ATOM 993 CB GLU A 72 -3.519 9.151 -1.698 1.00 0.00 C ATOM 994 CG GLU A 72 -2.181 9.842 -1.973 1.00 0.00 C ATOM 995 CD GLU A 72 -1.701 10.614 -0.743 1.00 0.00 C ATOM 996 OE1 GLU A 72 -2.087 11.777 -0.551 1.00 0.00 O ATOM 997 OE2 GLU A 72 -0.897 9.965 0.029 1.00 0.00 O ATOM 0 H GLU A 72 -2.825 7.222 -3.122 1.00 0.00 H new ATOM 0 HA GLU A 72 -2.426 7.764 -0.504 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -4.103 9.103 -2.617 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -4.096 9.739 -0.984 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.435 9.099 -2.255 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -2.286 10.524 -2.817 1.00 0.00 H new ATOM 1005 N PHE A 73 -5.687 7.499 -0.872 1.00 0.00 N ATOM 1006 CA PHE A 73 -6.914 7.120 -0.192 1.00 0.00 C ATOM 1007 C PHE A 73 -6.874 5.651 0.232 1.00 0.00 C ATOM 1008 O PHE A 73 -7.431 5.284 1.266 1.00 0.00 O ATOM 1009 CB PHE A 73 -8.057 7.321 -1.189 1.00 0.00 C ATOM 1010 CG PHE A 73 -9.372 6.661 -0.767 1.00 0.00 C ATOM 1011 CD1 PHE A 73 -10.173 7.267 0.150 1.00 0.00 C ATOM 1012 CD2 PHE A 73 -9.740 5.470 -1.311 1.00 0.00 C ATOM 1013 CE1 PHE A 73 -11.394 6.655 0.541 1.00 0.00 C ATOM 1014 CE2 PHE A 73 -10.961 4.858 -0.920 1.00 0.00 C ATOM 1015 CZ PHE A 73 -11.762 5.464 -0.002 1.00 0.00 C ATOM 0 H PHE A 73 -5.822 7.928 -1.788 1.00 0.00 H new ATOM 0 HA PHE A 73 -7.045 7.725 0.705 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -8.225 8.390 -1.323 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -7.756 6.921 -2.157 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -9.881 8.213 0.581 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -9.104 4.990 -2.040 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -12.030 7.136 1.270 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -11.253 3.912 -1.351 1.00 0.00 H new ATOM 0 HZ PHE A 73 -12.690 4.999 0.295 1.00 0.00 H new ATOM 1025 N PHE A 74 -6.211 4.849 -0.588 1.00 0.00 N ATOM 1026 CA PHE A 74 -6.092 3.427 -0.311 1.00 0.00 C ATOM 1027 C PHE A 74 -5.237 3.182 0.934 1.00 0.00 C ATOM 1028 O PHE A 74 -5.322 2.120 1.550 1.00 0.00 O ATOM 1029 CB PHE A 74 -5.404 2.792 -1.521 1.00 0.00 C ATOM 1030 CG PHE A 74 -6.365 2.111 -2.496 1.00 0.00 C ATOM 1031 CD1 PHE A 74 -7.432 2.795 -2.989 1.00 0.00 C ATOM 1032 CD2 PHE A 74 -6.152 0.821 -2.871 1.00 0.00 C ATOM 1033 CE1 PHE A 74 -8.324 2.162 -3.895 1.00 0.00 C ATOM 1034 CE2 PHE A 74 -7.044 0.188 -3.777 1.00 0.00 C ATOM 1035 CZ PHE A 74 -8.111 0.872 -4.270 1.00 0.00 C ATOM 0 H PHE A 74 -5.750 5.157 -1.445 1.00 0.00 H new ATOM 0 HA PHE A 74 -7.078 2.998 -0.132 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -4.846 3.562 -2.054 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -4.678 2.058 -1.170 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.601 3.819 -2.692 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -5.304 0.278 -2.480 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -9.172 2.705 -4.286 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -6.875 -0.836 -4.074 1.00 0.00 H new ATOM 0 HZ PHE A 74 -8.789 0.391 -4.959 1.00 0.00 H new ATOM 1045 N VAL A 75 -4.434 4.181 1.268 1.00 0.00 N ATOM 1046 CA VAL A 75 -3.565 4.086 2.429 1.00 0.00 C ATOM 1047 C VAL A 75 -4.347 4.490 3.680 1.00 0.00 C ATOM 1048 O VAL A 75 -4.580 3.667 4.563 1.00 0.00 O ATOM 1049 CB VAL A 75 -2.307 4.930 2.211 1.00 0.00 C ATOM 1050 CG1 VAL A 75 -1.824 5.544 3.527 1.00 0.00 C ATOM 1051 CG2 VAL A 75 -1.200 4.105 1.553 1.00 0.00 C ATOM 0 H VAL A 75 -4.367 5.060 0.755 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.230 3.059 2.573 1.00 0.00 H new ATOM 0 HB VAL A 75 -2.564 5.745 1.535 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -0.929 6.139 3.344 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.606 6.182 3.939 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.593 4.749 4.236 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -0.318 4.729 1.410 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.947 3.260 2.193 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -1.546 3.738 0.587 1.00 0.00 H new ATOM 1061 N ALA A 76 -4.729 5.758 3.716 1.00 0.00 N ATOM 1062 CA ALA A 76 -5.480 6.282 4.845 1.00 0.00 C ATOM 1063 C ALA A 76 -6.564 5.277 5.240 1.00 0.00 C ATOM 1064 O ALA A 76 -6.963 5.215 6.402 1.00 0.00 O ATOM 1065 CB ALA A 76 -6.058 7.651 4.483 1.00 0.00 C ATOM 0 H ALA A 76 -4.533 6.438 2.982 1.00 0.00 H new ATOM 0 HA ALA A 76 -4.829 6.422 5.708 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.621 8.044 5.330 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.246 8.336 4.238 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.720 7.551 3.623 1.00 0.00 H new ATOM 1071 N LEU A 77 -7.011 4.517 4.251 1.00 0.00 N ATOM 1072 CA LEU A 77 -8.041 3.518 4.481 1.00 0.00 C ATOM 1073 C LEU A 77 -7.519 2.471 5.467 1.00 0.00 C ATOM 1074 O LEU A 77 -7.819 2.531 6.658 1.00 0.00 O ATOM 1075 CB LEU A 77 -8.522 2.929 3.154 1.00 0.00 C ATOM 1076 CG LEU A 77 -10.028 2.996 2.896 1.00 0.00 C ATOM 1077 CD1 LEU A 77 -10.335 2.879 1.402 1.00 0.00 C ATOM 1078 CD2 LEU A 77 -10.773 1.942 3.718 1.00 0.00 C ATOM 0 H LEU A 77 -6.679 4.573 3.288 1.00 0.00 H new ATOM 0 HA LEU A 77 -8.920 3.974 4.937 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -8.011 3.448 2.343 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.212 1.885 3.109 1.00 0.00 H new ATOM 0 HG LEU A 77 -10.387 3.972 3.223 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -11.413 2.930 1.247 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.853 3.697 0.866 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -9.959 1.927 1.027 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -11.842 2.012 3.516 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -10.416 0.949 3.445 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -10.593 2.114 4.779 1.00 0.00 H new ATOM 1090 N ARG A 78 -6.748 1.535 4.933 1.00 0.00 N ATOM 1091 CA ARG A 78 -6.182 0.476 5.751 1.00 0.00 C ATOM 1092 C ARG A 78 -5.433 1.070 6.945 1.00 0.00 C ATOM 1093 O ARG A 78 -5.238 0.397 7.957 1.00 0.00 O ATOM 1094 CB ARG A 78 -5.221 -0.394 4.937 1.00 0.00 C ATOM 1095 CG ARG A 78 -5.986 -1.289 3.960 1.00 0.00 C ATOM 1096 CD ARG A 78 -7.022 -2.142 4.694 1.00 0.00 C ATOM 1097 NE ARG A 78 -8.379 -1.594 4.471 1.00 0.00 N ATOM 1098 CZ ARG A 78 -9.501 -2.344 4.430 1.00 0.00 C ATOM 1099 NH1 ARG A 78 -9.437 -3.682 4.596 1.00 0.00 N ATOM 1100 NH2 ARG A 78 -10.661 -1.749 4.224 1.00 0.00 N ATOM 0 H ARG A 78 -6.502 1.488 3.944 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.005 -0.144 6.106 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -4.527 0.241 4.387 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.624 -1.010 5.609 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -6.482 -0.673 3.210 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.287 -1.936 3.430 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -6.974 -3.172 4.340 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.799 -2.161 5.761 1.00 0.00 H new ATOM 0 HE ARG A 78 -8.472 -0.587 4.340 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -8.536 -4.134 4.754 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -10.289 -4.241 4.564 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -10.700 -0.737 4.099 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -11.518 -2.301 4.190 1.00 0.00 H new ATOM 1113 N LEU A 79 -5.035 2.324 6.790 1.00 0.00 N ATOM 1114 CA LEU A 79 -4.313 3.016 7.843 1.00 0.00 C ATOM 1115 C LEU A 79 -5.187 3.081 9.097 1.00 0.00 C ATOM 1116 O LEU A 79 -4.694 2.908 10.211 1.00 0.00 O ATOM 1117 CB LEU A 79 -3.835 4.385 7.355 1.00 0.00 C ATOM 1118 CG LEU A 79 -2.742 5.052 8.192 1.00 0.00 C ATOM 1119 CD1 LEU A 79 -2.500 6.491 7.732 1.00 0.00 C ATOM 1120 CD2 LEU A 79 -3.071 4.976 9.685 1.00 0.00 C ATOM 0 H LEU A 79 -5.199 2.879 5.950 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.411 2.466 8.111 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.468 4.277 6.334 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.694 5.055 7.316 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.812 4.504 8.038 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.718 6.942 8.344 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.189 6.492 6.687 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.420 7.066 7.837 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.278 5.457 10.257 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.016 5.485 9.876 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.154 3.932 9.987 1.00 0.00 H new ATOM 1132 N VAL A 80 -6.469 3.331 8.874 1.00 0.00 N ATOM 1133 CA VAL A 80 -7.416 3.421 9.972 1.00 0.00 C ATOM 1134 C VAL A 80 -7.366 2.128 10.790 1.00 0.00 C ATOM 1135 O VAL A 80 -7.376 2.166 12.019 1.00 0.00 O ATOM 1136 CB VAL A 80 -8.813 3.734 9.434 1.00 0.00 C ATOM 1137 CG1 VAL A 80 -9.870 3.579 10.529 1.00 0.00 C ATOM 1138 CG2 VAL A 80 -8.862 5.135 8.819 1.00 0.00 C ATOM 0 H VAL A 80 -6.874 3.474 7.949 1.00 0.00 H new ATOM 0 HA VAL A 80 -7.149 4.240 10.640 1.00 0.00 H new ATOM 0 HB VAL A 80 -9.038 3.014 8.647 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -10.854 3.807 10.120 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -9.861 2.555 10.901 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -9.649 4.264 11.347 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -9.866 5.333 8.444 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -8.606 5.875 9.578 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -8.149 5.197 7.997 1.00 0.00 H new ATOM 1148 N ALA A 81 -7.315 1.014 10.074 1.00 0.00 N ATOM 1149 CA ALA A 81 -7.264 -0.287 10.717 1.00 0.00 C ATOM 1150 C ALA A 81 -6.062 -0.338 11.662 1.00 0.00 C ATOM 1151 O ALA A 81 -6.000 -1.187 12.550 1.00 0.00 O ATOM 1152 CB ALA A 81 -7.213 -1.383 9.651 1.00 0.00 C ATOM 0 H ALA A 81 -7.308 0.986 9.054 1.00 0.00 H new ATOM 0 HA ALA A 81 -8.161 -0.454 11.314 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.175 -2.359 10.134 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -8.103 -1.323 9.025 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -6.325 -1.249 9.033 1.00 0.00 H new ATOM 1158 N CYS A 82 -5.136 0.583 11.439 1.00 0.00 N ATOM 1159 CA CYS A 82 -3.939 0.654 12.260 1.00 0.00 C ATOM 1160 C CYS A 82 -4.331 1.196 13.636 1.00 0.00 C ATOM 1161 O CYS A 82 -4.281 0.472 14.629 1.00 0.00 O ATOM 1162 CB CYS A 82 -2.851 1.505 11.601 1.00 0.00 C ATOM 1163 SG CYS A 82 -1.197 0.923 12.126 1.00 0.00 S ATOM 0 H CYS A 82 -5.190 1.286 10.702 1.00 0.00 H new ATOM 0 HA CYS A 82 -3.512 -0.343 12.371 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -2.939 1.446 10.516 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -2.981 2.552 11.875 1.00 0.00 H new ATOM 0 HG CYS A 82 -0.335 1.156 11.181 1.00 0.00 H new ATOM 1169 N ALA A 83 -4.712 2.465 13.651 1.00 0.00 N ATOM 1170 CA ALA A 83 -5.113 3.112 14.889 1.00 0.00 C ATOM 1171 C ALA A 83 -6.289 2.348 15.500 1.00 0.00 C ATOM 1172 O ALA A 83 -6.524 2.424 16.705 1.00 0.00 O ATOM 1173 CB ALA A 83 -5.449 4.578 14.613 1.00 0.00 C ATOM 0 H ALA A 83 -4.752 3.063 12.825 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.298 3.096 15.613 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -5.750 5.063 15.541 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -4.572 5.082 14.208 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -6.265 4.635 13.893 1.00 0.00 H new ATOM 1179 N GLN A 84 -6.998 1.631 14.641 1.00 0.00 N ATOM 1180 CA GLN A 84 -8.145 0.855 15.082 1.00 0.00 C ATOM 1181 C GLN A 84 -7.749 -0.069 16.235 1.00 0.00 C ATOM 1182 O GLN A 84 -8.578 -0.404 17.080 1.00 0.00 O ATOM 1183 CB GLN A 84 -8.746 0.058 13.922 1.00 0.00 C ATOM 1184 CG GLN A 84 -9.734 0.911 13.124 1.00 0.00 C ATOM 1185 CD GLN A 84 -11.176 0.475 13.393 1.00 0.00 C ATOM 1186 OE1 GLN A 84 -11.445 -0.421 14.175 1.00 0.00 O ATOM 1187 NE2 GLN A 84 -12.085 1.158 12.702 1.00 0.00 N ATOM 0 H GLN A 84 -6.801 1.571 13.642 1.00 0.00 H new ATOM 0 HA GLN A 84 -8.909 1.544 15.441 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -7.949 -0.292 13.265 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -9.253 -0.826 14.308 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -9.612 1.961 13.391 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -9.517 0.825 12.059 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -11.791 1.897 12.063 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -13.076 0.943 12.811 1.00 0.00 H new ATOM 1196 N ASN A 85 -6.481 -0.455 16.233 1.00 0.00 N ATOM 1197 CA ASN A 85 -5.965 -1.334 17.269 1.00 0.00 C ATOM 1198 C ASN A 85 -5.221 -0.501 18.314 1.00 0.00 C ATOM 1199 O ASN A 85 -4.998 -0.959 19.434 1.00 0.00 O ATOM 1200 CB ASN A 85 -4.982 -2.352 16.688 1.00 0.00 C ATOM 1201 CG ASN A 85 -4.854 -3.573 17.601 1.00 0.00 C ATOM 1202 OD1 ASN A 85 -5.830 -4.145 18.057 1.00 0.00 O ATOM 1203 ND2 ASN A 85 -3.598 -3.939 17.841 1.00 0.00 N ATOM 0 H ASN A 85 -5.796 -0.175 15.531 1.00 0.00 H new ATOM 0 HA ASN A 85 -6.808 -1.861 17.715 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -5.319 -2.666 15.700 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -4.005 -1.886 16.558 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -3.406 -4.743 18.439 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -2.826 -3.416 17.427 1.00 0.00 H new ATOM 1210 N GLY A 86 -4.857 0.708 17.912 1.00 0.00 N ATOM 1211 CA GLY A 86 -4.142 1.609 18.800 1.00 0.00 C ATOM 1212 C GLY A 86 -2.695 1.798 18.340 1.00 0.00 C ATOM 1213 O GLY A 86 -1.877 2.359 19.068 1.00 0.00 O ATOM 0 H GLY A 86 -5.044 1.085 16.983 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.647 2.574 18.828 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -4.156 1.212 19.815 1.00 0.00 H new ATOM 1217 N LEU A 87 -2.423 1.320 17.134 1.00 0.00 N ATOM 1218 CA LEU A 87 -1.089 1.429 16.569 1.00 0.00 C ATOM 1219 C LEU A 87 -0.874 2.854 16.054 1.00 0.00 C ATOM 1220 O LEU A 87 -1.768 3.694 16.148 1.00 0.00 O ATOM 1221 CB LEU A 87 -0.868 0.351 15.506 1.00 0.00 C ATOM 1222 CG LEU A 87 -1.088 -1.093 15.960 1.00 0.00 C ATOM 1223 CD1 LEU A 87 -1.413 -1.998 14.770 1.00 0.00 C ATOM 1224 CD2 LEU A 87 0.112 -1.606 16.759 1.00 0.00 C ATOM 0 H LEU A 87 -3.104 0.856 16.533 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.334 1.248 17.334 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -1.535 0.553 14.668 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.152 0.442 15.131 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.951 -1.114 16.626 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.565 -3.019 15.120 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.320 -1.644 14.280 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.586 -1.977 14.060 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -0.071 -2.635 17.070 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.006 -1.568 16.137 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.256 -0.981 17.640 1.00 0.00 H new ATOM 1236 N GLU A 88 0.318 3.083 15.522 1.00 0.00 N ATOM 1237 CA GLU A 88 0.662 4.391 14.992 1.00 0.00 C ATOM 1238 C GLU A 88 -0.328 4.799 13.899 1.00 0.00 C ATOM 1239 O GLU A 88 -1.148 3.990 13.467 1.00 0.00 O ATOM 1240 CB GLU A 88 2.098 4.409 14.465 1.00 0.00 C ATOM 1241 CG GLU A 88 2.820 5.692 14.882 1.00 0.00 C ATOM 1242 CD GLU A 88 4.252 5.715 14.344 1.00 0.00 C ATOM 1243 OE1 GLU A 88 4.468 5.477 13.147 1.00 0.00 O ATOM 1244 OE2 GLU A 88 5.158 5.994 15.218 1.00 0.00 O ATOM 0 H GLU A 88 1.057 2.384 15.447 1.00 0.00 H new ATOM 0 HA GLU A 88 0.598 5.117 15.802 1.00 0.00 H new ATOM 0 HB2 GLU A 88 2.639 3.543 14.845 1.00 0.00 H new ATOM 0 HB3 GLU A 88 2.091 4.328 13.378 1.00 0.00 H new ATOM 0 HG2 GLU A 88 2.274 6.558 14.509 1.00 0.00 H new ATOM 0 HG3 GLU A 88 2.835 5.768 15.969 1.00 0.00 H new ATOM 1252 N VAL A 89 -0.219 6.052 13.484 1.00 0.00 N ATOM 1253 CA VAL A 89 -1.095 6.577 12.450 1.00 0.00 C ATOM 1254 C VAL A 89 -0.261 6.947 11.222 1.00 0.00 C ATOM 1255 O VAL A 89 -0.807 7.350 10.196 1.00 0.00 O ATOM 1256 CB VAL A 89 -1.907 7.752 12.999 1.00 0.00 C ATOM 1257 CG1 VAL A 89 -3.118 8.043 12.110 1.00 0.00 C ATOM 1258 CG2 VAL A 89 -2.336 7.495 14.444 1.00 0.00 C ATOM 0 H VAL A 89 0.463 6.719 13.845 1.00 0.00 H new ATOM 0 HA VAL A 89 -1.815 5.821 12.138 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.267 8.634 12.993 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.678 8.882 12.522 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.780 8.291 11.104 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.760 7.163 12.070 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.911 8.346 14.809 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.951 6.596 14.487 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -1.452 7.360 15.067 1.00 0.00 H new ATOM 1268 N SER A 90 1.047 6.798 11.367 1.00 0.00 N ATOM 1269 CA SER A 90 1.961 7.112 10.282 1.00 0.00 C ATOM 1270 C SER A 90 2.276 5.847 9.481 1.00 0.00 C ATOM 1271 O SER A 90 2.241 4.742 10.019 1.00 0.00 O ATOM 1272 CB SER A 90 3.252 7.738 10.814 1.00 0.00 C ATOM 1273 OG SER A 90 3.041 9.057 11.310 1.00 0.00 O ATOM 0 H SER A 90 1.496 6.464 12.220 1.00 0.00 H new ATOM 0 HA SER A 90 1.479 7.838 9.628 1.00 0.00 H new ATOM 0 HB2 SER A 90 3.657 7.112 11.609 1.00 0.00 H new ATOM 0 HB3 SER A 90 3.997 7.765 10.018 1.00 0.00 H new ATOM 0 HG SER A 90 3.888 9.421 11.642 1.00 0.00 H new ATOM 1279 N LEU A 91 2.575 6.052 8.206 1.00 0.00 N ATOM 1280 CA LEU A 91 2.895 4.943 7.325 1.00 0.00 C ATOM 1281 C LEU A 91 4.113 4.196 7.874 1.00 0.00 C ATOM 1282 O LEU A 91 4.332 3.032 7.543 1.00 0.00 O ATOM 1283 CB LEU A 91 3.072 5.434 5.887 1.00 0.00 C ATOM 1284 CG LEU A 91 1.881 5.215 4.952 1.00 0.00 C ATOM 1285 CD1 LEU A 91 2.097 5.924 3.614 1.00 0.00 C ATOM 1286 CD2 LEU A 91 1.593 3.724 4.770 1.00 0.00 C ATOM 0 H LEU A 91 2.602 6.970 7.763 1.00 0.00 H new ATOM 0 HA LEU A 91 2.070 4.231 7.295 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.297 6.500 5.913 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.941 4.936 5.458 1.00 0.00 H new ATOM 0 HG LEU A 91 0.999 5.659 5.413 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.236 5.752 2.968 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.215 6.994 3.784 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.994 5.532 3.135 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.742 3.597 4.101 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.468 3.234 4.342 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.364 3.277 5.737 1.00 0.00 H new ATOM 1298 N SER A 92 4.873 4.897 8.703 1.00 0.00 N ATOM 1299 CA SER A 92 6.062 4.315 9.300 1.00 0.00 C ATOM 1300 C SER A 92 5.679 3.111 10.164 1.00 0.00 C ATOM 1301 O SER A 92 6.539 2.324 10.555 1.00 0.00 O ATOM 1302 CB SER A 92 6.820 5.348 10.137 1.00 0.00 C ATOM 1303 OG SER A 92 8.203 5.027 10.256 1.00 0.00 O ATOM 0 H SER A 92 4.688 5.863 8.975 1.00 0.00 H new ATOM 0 HA SER A 92 6.720 3.983 8.497 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.714 6.332 9.681 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.375 5.407 11.130 1.00 0.00 H new ATOM 0 HG SER A 92 8.652 5.711 10.796 1.00 0.00 H new ATOM 1309 N SER A 93 4.386 3.006 10.436 1.00 0.00 N ATOM 1310 CA SER A 93 3.879 1.912 11.246 1.00 0.00 C ATOM 1311 C SER A 93 2.724 1.217 10.522 1.00 0.00 C ATOM 1312 O SER A 93 1.798 0.718 11.159 1.00 0.00 O ATOM 1313 CB SER A 93 3.422 2.409 12.619 1.00 0.00 C ATOM 1314 OG SER A 93 3.921 1.593 13.675 1.00 0.00 O ATOM 0 H SER A 93 3.675 3.661 10.110 1.00 0.00 H new ATOM 0 HA SER A 93 4.687 1.197 11.399 1.00 0.00 H new ATOM 0 HB2 SER A 93 3.759 3.435 12.764 1.00 0.00 H new ATOM 0 HB3 SER A 93 2.333 2.423 12.655 1.00 0.00 H new ATOM 0 HG SER A 93 3.225 1.476 14.355 1.00 0.00 H new ATOM 1320 N LEU A 94 2.816 1.208 9.200 1.00 0.00 N ATOM 1321 CA LEU A 94 1.790 0.583 8.382 1.00 0.00 C ATOM 1322 C LEU A 94 2.358 -0.685 7.741 1.00 0.00 C ATOM 1323 O LEU A 94 3.506 -1.049 7.988 1.00 0.00 O ATOM 1324 CB LEU A 94 1.227 1.584 7.372 1.00 0.00 C ATOM 1325 CG LEU A 94 0.005 2.384 7.829 1.00 0.00 C ATOM 1326 CD1 LEU A 94 -1.191 1.463 8.077 1.00 0.00 C ATOM 1327 CD2 LEU A 94 0.337 3.236 9.056 1.00 0.00 C ATOM 0 H LEU A 94 3.585 1.624 8.675 1.00 0.00 H new ATOM 0 HA LEU A 94 0.944 0.278 8.998 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.018 2.286 7.107 1.00 0.00 H new ATOM 0 HB3 LEU A 94 0.963 1.043 6.463 1.00 0.00 H new ATOM 0 HG LEU A 94 -0.276 3.068 7.028 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.046 2.056 8.401 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -1.442 0.937 7.156 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.938 0.739 8.851 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -0.548 3.795 9.361 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.657 2.589 9.873 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.139 3.932 8.809 1.00 0.00 H new ATOM 1339 N SER A 95 1.526 -1.323 6.931 1.00 0.00 N ATOM 1340 CA SER A 95 1.931 -2.543 6.252 1.00 0.00 C ATOM 1341 C SER A 95 2.163 -3.657 7.274 1.00 0.00 C ATOM 1342 O SER A 95 3.077 -4.465 7.120 1.00 0.00 O ATOM 1343 CB SER A 95 3.193 -2.316 5.418 1.00 0.00 C ATOM 1344 OG SER A 95 4.379 -2.451 6.197 1.00 0.00 O ATOM 0 H SER A 95 0.574 -1.019 6.729 1.00 0.00 H new ATOM 0 HA SER A 95 1.130 -2.840 5.575 1.00 0.00 H new ATOM 0 HB2 SER A 95 3.217 -3.030 4.595 1.00 0.00 H new ATOM 0 HB3 SER A 95 3.161 -1.320 4.976 1.00 0.00 H new ATOM 0 HG SER A 95 4.372 -1.791 6.921 1.00 0.00 H new ATOM 1350 N LEU A 96 1.318 -3.666 8.295 1.00 0.00 N ATOM 1351 CA LEU A 96 1.420 -4.668 9.342 1.00 0.00 C ATOM 1352 C LEU A 96 0.279 -5.676 9.189 1.00 0.00 C ATOM 1353 O LEU A 96 -0.271 -5.836 8.101 1.00 0.00 O ATOM 1354 CB LEU A 96 1.472 -4.002 10.719 1.00 0.00 C ATOM 1355 CG LEU A 96 2.375 -2.772 10.835 1.00 0.00 C ATOM 1356 CD1 LEU A 96 1.951 -1.890 12.011 1.00 0.00 C ATOM 1357 CD2 LEU A 96 3.847 -3.180 10.925 1.00 0.00 C ATOM 0 H LEU A 96 0.560 -2.995 8.419 1.00 0.00 H new ATOM 0 HA LEU A 96 2.353 -5.224 9.248 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.459 -3.712 10.999 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.805 -4.742 11.447 1.00 0.00 H new ATOM 0 HG LEU A 96 2.261 -2.177 9.929 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.609 -1.023 12.071 1.00 0.00 H new ATOM 0 HD12 LEU A 96 0.924 -1.557 11.864 1.00 0.00 H new ATOM 0 HD13 LEU A 96 2.018 -2.461 12.937 1.00 0.00 H new ATOM 0 HD21 LEU A 96 4.468 -2.288 11.007 1.00 0.00 H new ATOM 0 HD22 LEU A 96 3.997 -3.808 11.803 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.126 -3.735 10.030 1.00 0.00 H new ATOM 1369 N ALA A 97 -0.042 -6.330 10.296 1.00 0.00 N ATOM 1370 CA ALA A 97 -1.108 -7.318 10.299 1.00 0.00 C ATOM 1371 C ALA A 97 -2.313 -6.760 11.059 1.00 0.00 C ATOM 1372 O ALA A 97 -2.755 -7.347 12.045 1.00 0.00 O ATOM 1373 CB ALA A 97 -0.590 -8.625 10.904 1.00 0.00 C ATOM 0 H ALA A 97 0.417 -6.195 11.197 1.00 0.00 H new ATOM 0 HA ALA A 97 -1.433 -7.536 9.282 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -1.389 -9.366 10.907 1.00 0.00 H new ATOM 0 HB2 ALA A 97 0.246 -8.995 10.310 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -0.258 -8.446 11.927 1.00 0.00 H new ATOM 1379 N VAL A 98 -2.810 -5.633 10.571 1.00 0.00 N ATOM 1380 CA VAL A 98 -3.955 -4.990 11.192 1.00 0.00 C ATOM 1381 C VAL A 98 -5.227 -5.759 10.826 1.00 0.00 C ATOM 1382 O VAL A 98 -5.261 -6.466 9.821 1.00 0.00 O ATOM 1383 CB VAL A 98 -4.011 -3.516 10.786 1.00 0.00 C ATOM 1384 CG1 VAL A 98 -2.703 -2.802 11.135 1.00 0.00 C ATOM 1385 CG2 VAL A 98 -4.337 -3.368 9.299 1.00 0.00 C ATOM 0 H VAL A 98 -2.441 -5.149 9.753 1.00 0.00 H new ATOM 0 HA VAL A 98 -3.863 -5.011 12.278 1.00 0.00 H new ATOM 0 HB VAL A 98 -4.813 -3.043 11.352 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.769 -1.756 10.836 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.531 -2.862 12.210 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -1.876 -3.279 10.608 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -4.371 -2.310 9.037 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -3.568 -3.864 8.707 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -5.305 -3.824 9.092 1.00 0.00 H new ATOM 1395 N PRO A 99 -6.267 -5.590 11.685 1.00 0.00 N ATOM 1396 CA PRO A 99 -7.538 -6.259 11.463 1.00 0.00 C ATOM 1397 C PRO A 99 -8.319 -5.590 10.330 1.00 0.00 C ATOM 1398 O PRO A 99 -7.903 -4.556 9.810 1.00 0.00 O ATOM 1399 CB PRO A 99 -8.257 -6.193 12.801 1.00 0.00 C ATOM 1400 CG PRO A 99 -7.569 -5.090 13.589 1.00 0.00 C ATOM 1401 CD PRO A 99 -6.262 -4.760 12.887 1.00 0.00 C ATOM 0 HA PRO A 99 -7.418 -7.294 11.142 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -9.316 -5.974 12.665 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -8.194 -7.146 13.326 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -8.206 -4.207 13.645 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -7.381 -5.413 14.613 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -6.203 -3.701 12.637 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -5.404 -4.986 13.521 1.00 0.00 H new ATOM 1409 N PRO A 100 -9.468 -6.224 9.972 1.00 0.00 N ATOM 1410 CA PRO A 100 -10.311 -5.702 8.911 1.00 0.00 C ATOM 1411 C PRO A 100 -11.095 -4.476 9.386 1.00 0.00 C ATOM 1412 O PRO A 100 -11.955 -4.585 10.258 1.00 0.00 O ATOM 1413 CB PRO A 100 -11.208 -6.863 8.513 1.00 0.00 C ATOM 1414 CG PRO A 100 -11.157 -7.845 9.672 1.00 0.00 C ATOM 1415 CD PRO A 100 -9.992 -7.450 10.566 1.00 0.00 C ATOM 0 HA PRO A 100 -9.737 -5.348 8.054 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -12.228 -6.524 8.333 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -10.859 -7.328 7.591 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -12.092 -7.824 10.232 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -11.028 -8.863 9.305 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -10.319 -7.284 11.592 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -9.233 -8.232 10.596 1.00 0.00 H new ATOM 1423 N PRO A 101 -10.760 -3.308 8.775 1.00 0.00 N ATOM 1424 CA PRO A 101 -11.422 -2.064 9.127 1.00 0.00 C ATOM 1425 C PRO A 101 -12.833 -2.008 8.537 1.00 0.00 C ATOM 1426 O PRO A 101 -13.097 -2.602 7.493 1.00 0.00 O ATOM 1427 CB PRO A 101 -10.512 -0.969 8.594 1.00 0.00 C ATOM 1428 CG PRO A 101 -9.616 -1.637 7.563 1.00 0.00 C ATOM 1429 CD PRO A 101 -9.746 -3.142 7.738 1.00 0.00 C ATOM 0 HA PRO A 101 -11.567 -1.955 10.202 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -11.092 -0.164 8.144 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -9.922 -0.527 9.396 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -9.909 -1.343 6.555 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -8.580 -1.325 7.698 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -10.048 -3.624 6.808 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -8.798 -3.589 8.036 1.00 0.00 H new ATOM 1437 N ARG A 102 -13.702 -1.288 9.231 1.00 0.00 N ATOM 1438 CA ARG A 102 -15.079 -1.147 8.789 1.00 0.00 C ATOM 1439 C ARG A 102 -15.270 0.188 8.066 1.00 0.00 C ATOM 1440 O ARG A 102 -14.403 1.059 8.124 1.00 0.00 O ATOM 1441 CB ARG A 102 -16.047 -1.222 9.972 1.00 0.00 C ATOM 1442 CG ARG A 102 -16.562 -2.649 10.169 1.00 0.00 C ATOM 1443 CD ARG A 102 -17.944 -2.825 9.536 1.00 0.00 C ATOM 1444 NE ARG A 102 -18.227 -4.264 9.330 1.00 0.00 N ATOM 1445 CZ ARG A 102 -19.465 -4.776 9.170 1.00 0.00 C ATOM 1446 NH1 ARG A 102 -20.548 -3.971 9.190 1.00 0.00 N ATOM 1447 NH2 ARG A 102 -19.601 -6.077 8.993 1.00 0.00 N ATOM 0 H ARG A 102 -13.479 -0.796 10.096 1.00 0.00 H new ATOM 0 HA ARG A 102 -15.294 -1.968 8.105 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -15.546 -0.884 10.879 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -16.887 -0.548 9.802 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -15.862 -3.357 9.725 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -16.614 -2.877 11.234 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -18.706 -2.384 10.179 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -17.987 -2.297 8.583 1.00 0.00 H new ATOM 0 HE ARG A 102 -17.437 -4.908 9.308 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -20.434 -2.967 9.327 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -21.480 -4.367 9.068 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -18.777 -6.679 8.979 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -20.530 -6.481 8.870 1.00 0.00 H new ATOM 1460 N PHE A 103 -16.411 0.307 7.402 1.00 0.00 N ATOM 1461 CA PHE A 103 -16.727 1.521 6.669 1.00 0.00 C ATOM 1462 C PHE A 103 -18.191 1.528 6.225 1.00 0.00 C ATOM 1463 O PHE A 103 -18.927 0.578 6.487 1.00 0.00 O ATOM 1464 CB PHE A 103 -15.830 1.541 5.429 1.00 0.00 C ATOM 1465 CG PHE A 103 -14.383 1.947 5.714 1.00 0.00 C ATOM 1466 CD1 PHE A 103 -14.066 3.259 5.882 1.00 0.00 C ATOM 1467 CD2 PHE A 103 -13.414 0.997 5.800 1.00 0.00 C ATOM 1468 CE1 PHE A 103 -12.723 3.636 6.146 1.00 0.00 C ATOM 1469 CE2 PHE A 103 -12.071 1.374 6.065 1.00 0.00 C ATOM 1470 CZ PHE A 103 -11.754 2.686 6.232 1.00 0.00 C ATOM 0 H PHE A 103 -17.128 -0.417 7.357 1.00 0.00 H new ATOM 0 HA PHE A 103 -16.564 2.392 7.304 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -15.836 0.551 4.973 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -16.253 2.231 4.698 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -14.836 4.014 5.815 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -13.666 -0.045 5.667 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -12.471 4.678 6.279 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -11.302 0.619 6.134 1.00 0.00 H new ATOM 0 HZ PHE A 103 -10.732 2.973 6.433 1.00 0.00 H new ATOM 1480 N HIS A 104 -18.569 2.610 5.560 1.00 0.00 N ATOM 1481 CA HIS A 104 -19.932 2.753 5.077 1.00 0.00 C ATOM 1482 C HIS A 104 -20.090 2.000 3.755 1.00 0.00 C ATOM 1483 O HIS A 104 -19.103 1.564 3.163 1.00 0.00 O ATOM 1484 CB HIS A 104 -20.318 4.229 4.969 1.00 0.00 C ATOM 1485 CG HIS A 104 -21.230 4.709 6.073 1.00 0.00 C ATOM 1486 ND1 HIS A 104 -22.461 5.292 5.828 1.00 0.00 N ATOM 1487 CD2 HIS A 104 -21.078 4.684 7.428 1.00 0.00 C ATOM 1488 CE1 HIS A 104 -23.016 5.601 6.991 1.00 0.00 C ATOM 1489 NE2 HIS A 104 -22.157 5.224 7.981 1.00 0.00 N ATOM 0 H HIS A 104 -17.955 3.396 5.344 1.00 0.00 H new ATOM 0 HA HIS A 104 -20.624 2.308 5.793 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -19.410 4.832 4.974 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -20.807 4.397 4.009 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -20.224 4.291 7.961 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -23.979 6.069 7.130 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -22.317 5.338 8.982 1.00 0.00 H new ATOM 1497 N ASP A 105 -21.338 1.871 3.329 1.00 0.00 N ATOM 1498 CA ASP A 105 -21.637 1.179 2.087 1.00 0.00 C ATOM 1499 C ASP A 105 -20.747 -0.060 1.971 1.00 0.00 C ATOM 1500 O ASP A 105 -20.918 -1.024 2.715 1.00 0.00 O ATOM 1501 CB ASP A 105 -21.362 2.074 0.878 1.00 0.00 C ATOM 1502 CG ASP A 105 -21.052 1.328 -0.422 1.00 0.00 C ATOM 1503 OD1 ASP A 105 -21.890 1.257 -1.333 1.00 0.00 O ATOM 1504 OD2 ASP A 105 -19.878 0.798 -0.479 1.00 0.00 O ATOM 0 H ASP A 105 -22.154 2.234 3.822 1.00 0.00 H new ATOM 0 HA ASP A 105 -22.692 0.905 2.100 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -22.229 2.714 0.714 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -20.522 2.728 1.113 1.00 0.00 H new