USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=16 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 Set 1.1: A 21 LYS NZ :NH3+ 145:sc= 0.847 (180deg=0.159) USER MOD Set 1.2: A 22 TYR OH : rot -140:sc= 0.254 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.102 K(o=-0.1,f=-0.7) USER MOD Single : A 13 SER OG : rot 48:sc= 0.556 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -6.77! C(o=-6.8!,f=-13!) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.449 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.545 X(o=-0.55,f=-0.096) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.229 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= 0.161! USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 2:sc= 0.93 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -4.73! C(o=-4.7!,f=-7.5!) USER MOD Single : A 82 CYS SG : rot -140:sc= -1.87 USER MOD Single : A 84 GLN : amide:sc= -0.728 K(o=-0.73,f=-3.1!) USER MOD Single : A 85 ASN : amide:sc= -2.66! C(o=-2.7!,f=-4.4!) 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 -150:sc= 0 USER MOD Single : A 95 SER OG : rot -70:sc= 0.766 USER MOD Single : A 104 HIS : no HD1:sc= -0.0175 X(o=-0.017,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 31 N LEU A 9 0.554 -4.744 -4.165 1.00 0.00 N ATOM 32 CA LEU A 9 0.021 -6.006 -3.682 1.00 0.00 C ATOM 33 C LEU A 9 1.077 -6.706 -2.823 1.00 0.00 C ATOM 34 O LEU A 9 0.744 -7.376 -1.847 1.00 0.00 O ATOM 35 CB LEU A 9 -0.483 -6.857 -4.850 1.00 0.00 C ATOM 36 CG LEU A 9 -1.512 -6.192 -5.768 1.00 0.00 C ATOM 37 CD1 LEU A 9 -1.320 -6.638 -7.219 1.00 0.00 C ATOM 38 CD2 LEU A 9 -2.936 -6.450 -5.272 1.00 0.00 C ATOM 0 HA LEU A 9 -0.846 -5.834 -3.045 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.374 -7.155 -5.453 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.921 -7.770 -4.446 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.352 -5.114 -5.739 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.063 -6.151 -7.851 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.321 -6.361 -7.555 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.439 -7.719 -7.286 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.648 -5.967 -5.942 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.126 -7.523 -5.254 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.050 -6.044 -4.267 1.00 0.00 H new ATOM 50 N THR A 10 2.329 -6.525 -3.218 1.00 0.00 N ATOM 51 CA THR A 10 3.436 -7.130 -2.497 1.00 0.00 C ATOM 52 C THR A 10 3.300 -6.868 -0.995 1.00 0.00 C ATOM 53 O THR A 10 3.424 -7.788 -0.188 1.00 0.00 O ATOM 54 CB THR A 10 4.738 -6.593 -3.093 1.00 0.00 C ATOM 55 OG1 THR A 10 4.843 -7.253 -4.351 1.00 0.00 O ATOM 56 CG2 THR A 10 5.973 -7.064 -2.321 1.00 0.00 C ATOM 0 H THR A 10 2.601 -5.968 -4.028 1.00 0.00 H new ATOM 0 HA THR A 10 3.435 -8.214 -2.607 1.00 0.00 H new ATOM 0 HB THR A 10 4.710 -5.503 -3.104 1.00 0.00 H new ATOM 0 HG1 THR A 10 5.660 -6.961 -4.806 1.00 0.00 H new ATOM 0 HG21 THR A 10 6.870 -6.655 -2.785 1.00 0.00 H new ATOM 0 HG22 THR A 10 5.910 -6.720 -1.289 1.00 0.00 H new ATOM 0 HG23 THR A 10 6.020 -8.153 -2.339 1.00 0.00 H new ATOM 64 N GLN A 11 3.048 -5.610 -0.667 1.00 0.00 N ATOM 65 CA GLN A 11 2.895 -5.215 0.723 1.00 0.00 C ATOM 66 C GLN A 11 1.526 -5.648 1.250 1.00 0.00 C ATOM 67 O GLN A 11 1.389 -5.998 2.421 1.00 0.00 O ATOM 68 CB GLN A 11 3.095 -3.708 0.890 1.00 0.00 C ATOM 69 CG GLN A 11 4.399 -3.407 1.632 1.00 0.00 C ATOM 70 CD GLN A 11 4.129 -3.048 3.094 1.00 0.00 C ATOM 71 OE1 GLN A 11 3.196 -2.334 3.423 1.00 0.00 O ATOM 72 NE2 GLN A 11 4.994 -3.583 3.951 1.00 0.00 N ATOM 0 H GLN A 11 2.946 -4.850 -1.340 1.00 0.00 H new ATOM 0 HA GLN A 11 3.664 -5.717 1.310 1.00 0.00 H new ATOM 0 HB2 GLN A 11 3.110 -3.229 -0.089 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.254 -3.284 1.439 1.00 0.00 H new ATOM 0 HG2 GLN A 11 5.058 -4.274 1.583 1.00 0.00 H new ATOM 0 HG3 GLN A 11 4.918 -2.584 1.142 1.00 0.00 H new ATOM 0 HE21 GLN A 11 5.753 -4.172 3.609 1.00 0.00 H new ATOM 0 HE22 GLN A 11 4.898 -3.404 4.951 1.00 0.00 H new ATOM 81 N LEU A 12 0.546 -5.611 0.359 1.00 0.00 N ATOM 82 CA LEU A 12 -0.808 -5.996 0.719 1.00 0.00 C ATOM 83 C LEU A 12 -0.770 -7.310 1.501 1.00 0.00 C ATOM 84 O LEU A 12 -1.449 -7.453 2.517 1.00 0.00 O ATOM 85 CB LEU A 12 -1.700 -6.045 -0.523 1.00 0.00 C ATOM 86 CG LEU A 12 -3.188 -6.295 -0.271 1.00 0.00 C ATOM 87 CD1 LEU A 12 -3.430 -7.730 0.203 1.00 0.00 C ATOM 88 CD2 LEU A 12 -3.760 -5.265 0.705 1.00 0.00 C ATOM 0 H LEU A 12 0.663 -5.320 -0.612 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.254 -5.248 1.374 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.596 -5.101 -1.058 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.327 -6.828 -1.183 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.719 -6.173 -1.215 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.496 -7.882 0.375 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.082 -8.428 -0.558 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.885 -7.904 1.131 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.819 -5.466 0.867 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.229 -5.330 1.655 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.640 -4.264 0.290 1.00 0.00 H new ATOM 100 N SER A 13 0.031 -8.238 0.998 1.00 0.00 N ATOM 101 CA SER A 13 0.167 -9.536 1.636 1.00 0.00 C ATOM 102 C SER A 13 1.320 -10.314 0.999 1.00 0.00 C ATOM 103 O SER A 13 1.126 -11.424 0.505 1.00 0.00 O ATOM 104 CB SER A 13 -1.132 -10.337 1.538 1.00 0.00 C ATOM 105 OG SER A 13 -1.906 -10.249 2.731 1.00 0.00 O ATOM 0 H SER A 13 0.593 -8.116 0.155 1.00 0.00 H new ATOM 0 HA SER A 13 0.384 -9.377 2.692 1.00 0.00 H new ATOM 0 HB2 SER A 13 -1.720 -9.971 0.697 1.00 0.00 H new ATOM 0 HB3 SER A 13 -0.899 -11.382 1.334 1.00 0.00 H new ATOM 0 HG SER A 13 -1.978 -9.311 3.006 1.00 0.00 H new ATOM 111 N SER A 14 2.495 -9.702 1.032 1.00 0.00 N ATOM 112 CA SER A 14 3.679 -10.324 0.463 1.00 0.00 C ATOM 113 C SER A 14 3.452 -10.622 -1.020 1.00 0.00 C ATOM 114 O SER A 14 4.196 -11.395 -1.622 1.00 0.00 O ATOM 115 CB SER A 14 4.041 -11.607 1.214 1.00 0.00 C ATOM 116 OG SER A 14 5.318 -11.517 1.840 1.00 0.00 O ATOM 0 H SER A 14 2.652 -8.782 1.444 1.00 0.00 H new ATOM 0 HA SER A 14 4.513 -9.629 0.563 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.281 -11.812 1.968 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.036 -12.447 0.520 1.00 0.00 H new ATOM 0 HG SER A 14 5.512 -12.355 2.310 1.00 0.00 H new ATOM 122 N GLY A 15 2.422 -9.994 -1.567 1.00 0.00 N ATOM 123 CA GLY A 15 2.088 -10.182 -2.968 1.00 0.00 C ATOM 124 C GLY A 15 1.414 -11.537 -3.194 1.00 0.00 C ATOM 125 O GLY A 15 1.573 -12.146 -4.251 1.00 0.00 O ATOM 0 H GLY A 15 1.807 -9.354 -1.065 1.00 0.00 H new ATOM 0 HA2 GLY A 15 1.425 -9.382 -3.298 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.992 -10.116 -3.573 1.00 0.00 H new ATOM 129 N ASN A 16 0.674 -11.969 -2.183 1.00 0.00 N ATOM 130 CA ASN A 16 -0.025 -13.241 -2.258 1.00 0.00 C ATOM 131 C ASN A 16 -0.819 -13.305 -3.564 1.00 0.00 C ATOM 132 O ASN A 16 -1.714 -12.492 -3.791 1.00 0.00 O ATOM 133 CB ASN A 16 -1.011 -13.396 -1.097 1.00 0.00 C ATOM 134 CG ASN A 16 -1.169 -14.867 -0.706 1.00 0.00 C ATOM 135 OD1 ASN A 16 -1.114 -15.765 -1.530 1.00 0.00 O ATOM 136 ND2 ASN A 16 -1.368 -15.061 0.595 1.00 0.00 N ATOM 0 H ASN A 16 0.543 -11.461 -1.308 1.00 0.00 H new ATOM 0 HA ASN A 16 0.717 -14.038 -2.210 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -0.661 -12.823 -0.238 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -1.980 -12.985 -1.380 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -1.485 -16.007 0.957 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -1.403 -14.264 1.230 1.00 0.00 H new ATOM 143 N PRO A 17 -0.454 -14.305 -4.410 1.00 0.00 N ATOM 144 CA PRO A 17 -1.122 -14.486 -5.688 1.00 0.00 C ATOM 145 C PRO A 17 -2.508 -15.106 -5.499 1.00 0.00 C ATOM 146 O PRO A 17 -3.384 -14.947 -6.347 1.00 0.00 O ATOM 147 CB PRO A 17 -0.184 -15.363 -6.501 1.00 0.00 C ATOM 148 CG PRO A 17 0.747 -16.022 -5.496 1.00 0.00 C ATOM 149 CD PRO A 17 0.602 -15.286 -4.174 1.00 0.00 C ATOM 0 HA PRO A 17 -1.310 -13.543 -6.202 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -0.740 -16.111 -7.066 1.00 0.00 H new ATOM 0 HB3 PRO A 17 0.377 -14.770 -7.223 1.00 0.00 H new ATOM 0 HG2 PRO A 17 0.495 -17.076 -5.376 1.00 0.00 H new ATOM 0 HG3 PRO A 17 1.778 -15.979 -5.846 1.00 0.00 H new ATOM 0 HD2 PRO A 17 0.335 -15.969 -3.368 1.00 0.00 H new ATOM 0 HD3 PRO A 17 1.535 -14.802 -3.886 1.00 0.00 H new ATOM 157 N VAL A 18 -2.663 -15.800 -4.381 1.00 0.00 N ATOM 158 CA VAL A 18 -3.927 -16.445 -4.070 1.00 0.00 C ATOM 159 C VAL A 18 -5.077 -15.502 -4.429 1.00 0.00 C ATOM 160 O VAL A 18 -6.013 -15.896 -5.124 1.00 0.00 O ATOM 161 CB VAL A 18 -3.946 -16.879 -2.603 1.00 0.00 C ATOM 162 CG1 VAL A 18 -3.830 -15.670 -1.672 1.00 0.00 C ATOM 163 CG2 VAL A 18 -5.201 -17.695 -2.289 1.00 0.00 C ATOM 0 H VAL A 18 -1.934 -15.930 -3.679 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.051 -17.350 -4.665 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.080 -17.518 -2.431 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.846 -16.006 -0.635 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.894 -15.147 -1.870 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -4.667 -14.994 -1.847 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.190 -17.991 -1.240 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -6.087 -17.091 -2.486 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -5.222 -18.586 -2.917 1.00 0.00 H new ATOM 173 N TYR A 19 -4.970 -14.276 -3.940 1.00 0.00 N ATOM 174 CA TYR A 19 -5.990 -13.274 -4.201 1.00 0.00 C ATOM 175 C TYR A 19 -6.045 -12.923 -5.689 1.00 0.00 C ATOM 176 O TYR A 19 -7.116 -12.645 -6.225 1.00 0.00 O ATOM 177 CB TYR A 19 -5.572 -12.032 -3.411 1.00 0.00 C ATOM 178 CG TYR A 19 -6.001 -12.055 -1.942 1.00 0.00 C ATOM 179 CD1 TYR A 19 -7.257 -12.511 -1.597 1.00 0.00 C ATOM 180 CD2 TYR A 19 -5.131 -11.621 -0.963 1.00 0.00 C ATOM 181 CE1 TYR A 19 -7.661 -12.532 -0.215 1.00 0.00 C ATOM 182 CE2 TYR A 19 -5.535 -11.643 0.419 1.00 0.00 C ATOM 183 CZ TYR A 19 -6.780 -12.098 0.725 1.00 0.00 C ATOM 184 OH TYR A 19 -7.161 -12.118 2.030 1.00 0.00 O ATOM 0 H TYR A 19 -4.192 -13.953 -3.364 1.00 0.00 H new ATOM 0 HA TYR A 19 -6.974 -13.643 -3.911 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -4.488 -11.930 -3.461 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.997 -11.150 -3.889 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -7.937 -12.852 -2.364 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.148 -11.265 -1.233 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -8.642 -12.885 0.068 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -4.864 -11.306 1.195 1.00 0.00 H new ATOM 0 HH TYR A 19 -6.430 -11.781 2.589 1.00 0.00 H new ATOM 194 N GLU A 20 -4.877 -12.947 -6.314 1.00 0.00 N ATOM 195 CA GLU A 20 -4.779 -12.635 -7.729 1.00 0.00 C ATOM 196 C GLU A 20 -5.715 -13.535 -8.538 1.00 0.00 C ATOM 197 O GLU A 20 -6.287 -13.103 -9.538 1.00 0.00 O ATOM 198 CB GLU A 20 -3.335 -12.763 -8.221 1.00 0.00 C ATOM 199 CG GLU A 20 -2.790 -11.410 -8.681 1.00 0.00 C ATOM 200 CD GLU A 20 -2.813 -11.300 -10.207 1.00 0.00 C ATOM 201 OE1 GLU A 20 -3.687 -11.892 -10.858 1.00 0.00 O ATOM 202 OE2 GLU A 20 -1.881 -10.567 -10.715 1.00 0.00 O ATOM 0 H GLU A 20 -3.990 -13.178 -5.866 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.087 -11.600 -7.874 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.708 -13.158 -7.422 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.289 -13.476 -9.044 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.385 -10.607 -8.246 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.770 -11.283 -8.319 1.00 0.00 H new ATOM 210 N LYS A 21 -5.844 -14.770 -8.074 1.00 0.00 N ATOM 211 CA LYS A 21 -6.701 -15.734 -8.741 1.00 0.00 C ATOM 212 C LYS A 21 -8.125 -15.180 -8.813 1.00 0.00 C ATOM 213 O LYS A 21 -8.784 -15.282 -9.847 1.00 0.00 O ATOM 214 CB LYS A 21 -6.606 -17.099 -8.057 1.00 0.00 C ATOM 215 CG LYS A 21 -7.981 -17.571 -7.580 1.00 0.00 C ATOM 216 CD LYS A 21 -7.933 -19.032 -7.128 1.00 0.00 C ATOM 217 CE LYS A 21 -7.344 -19.151 -5.721 1.00 0.00 C ATOM 218 NZ LYS A 21 -8.259 -19.909 -4.838 1.00 0.00 N ATOM 0 H LYS A 21 -5.369 -15.124 -7.244 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.368 -15.894 -9.767 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.188 -17.829 -8.750 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -5.924 -17.038 -7.209 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.319 -16.943 -6.756 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.707 -17.459 -8.385 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.938 -19.454 -7.142 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.333 -19.613 -7.828 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -6.376 -19.651 -5.767 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.171 -18.157 -5.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.703 -20.479 -4.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.861 -19.245 -4.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.856 -20.536 -5.414 1.00 0.00 H new ATOM 229 N TYR A 22 -8.560 -14.607 -7.700 1.00 0.00 N ATOM 230 CA TYR A 22 -9.894 -14.037 -7.624 1.00 0.00 C ATOM 231 C TYR A 22 -9.969 -12.711 -8.384 1.00 0.00 C ATOM 232 O TYR A 22 -10.894 -12.490 -9.164 1.00 0.00 O ATOM 233 CB TYR A 22 -10.156 -13.775 -6.139 1.00 0.00 C ATOM 234 CG TYR A 22 -10.141 -15.036 -5.273 1.00 0.00 C ATOM 235 CD1 TYR A 22 -8.950 -15.505 -4.757 1.00 0.00 C ATOM 236 CD2 TYR A 22 -11.319 -15.704 -5.006 1.00 0.00 C ATOM 237 CE1 TYR A 22 -8.935 -16.691 -3.942 1.00 0.00 C ATOM 238 CE2 TYR A 22 -11.304 -16.891 -4.191 1.00 0.00 C ATOM 239 CZ TYR A 22 -10.113 -17.326 -3.699 1.00 0.00 C ATOM 240 OH TYR A 22 -10.100 -18.447 -2.928 1.00 0.00 O ATOM 0 H TYR A 22 -8.012 -14.525 -6.844 1.00 0.00 H new ATOM 0 HA TYR A 22 -10.626 -14.713 -8.066 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -9.404 -13.081 -5.765 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -11.124 -13.285 -6.032 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -8.029 -14.982 -4.965 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -12.252 -15.337 -5.408 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -8.009 -17.068 -3.533 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -12.218 -17.424 -3.975 1.00 0.00 H new ATOM 0 HH TYR A 22 -10.720 -19.108 -3.301 1.00 0.00 H new ATOM 250 N TYR A 23 -8.982 -11.864 -8.131 1.00 0.00 N ATOM 251 CA TYR A 23 -8.924 -10.567 -8.781 1.00 0.00 C ATOM 252 C TYR A 23 -8.981 -10.713 -10.303 1.00 0.00 C ATOM 253 O TYR A 23 -9.344 -9.773 -11.008 1.00 0.00 O ATOM 254 CB TYR A 23 -7.576 -9.958 -8.390 1.00 0.00 C ATOM 255 CG TYR A 23 -7.035 -8.943 -9.398 1.00 0.00 C ATOM 256 CD1 TYR A 23 -6.291 -9.372 -10.479 1.00 0.00 C ATOM 257 CD2 TYR A 23 -7.291 -7.597 -9.228 1.00 0.00 C ATOM 258 CE1 TYR A 23 -5.782 -8.417 -11.428 1.00 0.00 C ATOM 259 CE2 TYR A 23 -6.781 -6.642 -10.177 1.00 0.00 C ATOM 260 CZ TYR A 23 -6.052 -7.099 -11.230 1.00 0.00 C ATOM 261 OH TYR A 23 -5.571 -6.196 -12.127 1.00 0.00 O ATOM 0 H TYR A 23 -8.216 -12.051 -7.484 1.00 0.00 H new ATOM 0 HA TYR A 23 -9.767 -9.947 -8.475 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -7.676 -9.472 -7.419 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.848 -10.760 -8.271 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -6.091 -10.425 -10.613 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -7.874 -7.261 -8.383 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -5.199 -8.740 -12.278 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.973 -5.586 -10.055 1.00 0.00 H new ATOM 0 HH TYR A 23 -5.842 -5.293 -11.860 1.00 0.00 H new ATOM 271 N ARG A 24 -8.616 -11.901 -10.765 1.00 0.00 N ATOM 272 CA ARG A 24 -8.621 -12.183 -12.191 1.00 0.00 C ATOM 273 C ARG A 24 -9.958 -12.801 -12.605 1.00 0.00 C ATOM 274 O ARG A 24 -10.345 -12.728 -13.770 1.00 0.00 O ATOM 275 CB ARG A 24 -7.487 -13.138 -12.567 1.00 0.00 C ATOM 276 CG ARG A 24 -7.401 -13.317 -14.084 1.00 0.00 C ATOM 277 CD ARG A 24 -6.074 -12.781 -14.625 1.00 0.00 C ATOM 278 NE ARG A 24 -5.077 -13.873 -14.694 1.00 0.00 N ATOM 279 CZ ARG A 24 -5.117 -14.878 -15.594 1.00 0.00 C ATOM 280 NH1 ARG A 24 -6.106 -14.938 -16.511 1.00 0.00 N ATOM 281 NH2 ARG A 24 -4.174 -15.801 -15.565 1.00 0.00 N ATOM 0 H ARG A 24 -8.315 -12.679 -10.177 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.475 -11.239 -12.717 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.541 -12.751 -12.189 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.649 -14.105 -12.092 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.500 -14.373 -14.335 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.230 -12.796 -14.563 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -6.223 -12.350 -15.615 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -5.706 -11.982 -13.982 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.312 -13.865 -14.019 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.831 -14.220 -16.527 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.129 -15.701 -17.188 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -3.430 -15.748 -14.869 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -4.190 -16.567 -16.238 1.00 0.00 H new ATOM 294 N GLN A 25 -10.627 -13.395 -11.628 1.00 0.00 N ATOM 295 CA GLN A 25 -11.912 -14.026 -11.876 1.00 0.00 C ATOM 296 C GLN A 25 -12.926 -12.990 -12.366 1.00 0.00 C ATOM 297 O GLN A 25 -13.739 -13.278 -13.242 1.00 0.00 O ATOM 298 CB GLN A 25 -12.422 -14.743 -10.624 1.00 0.00 C ATOM 299 CG GLN A 25 -11.825 -16.147 -10.515 1.00 0.00 C ATOM 300 CD GLN A 25 -12.724 -17.062 -9.682 1.00 0.00 C ATOM 301 OE1 GLN A 25 -12.301 -17.685 -8.722 1.00 0.00 O ATOM 302 NE2 GLN A 25 -13.985 -17.109 -10.101 1.00 0.00 N ATOM 0 H GLN A 25 -10.303 -13.453 -10.663 1.00 0.00 H new ATOM 0 HA GLN A 25 -11.782 -14.776 -12.656 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -12.163 -14.164 -9.738 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -13.510 -14.808 -10.655 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -11.694 -16.569 -11.512 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -10.836 -16.091 -10.060 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -14.274 -16.562 -10.912 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -14.664 -17.692 -9.611 1.00 0.00 H new ATOM 311 N VAL A 26 -12.844 -11.805 -11.778 1.00 0.00 N ATOM 312 CA VAL A 26 -13.744 -10.724 -12.143 1.00 0.00 C ATOM 313 C VAL A 26 -13.305 -10.132 -13.484 1.00 0.00 C ATOM 314 O VAL A 26 -14.138 -9.847 -14.343 1.00 0.00 O ATOM 315 CB VAL A 26 -13.798 -9.686 -11.021 1.00 0.00 C ATOM 316 CG1 VAL A 26 -13.640 -10.351 -9.652 1.00 0.00 C ATOM 317 CG2 VAL A 26 -12.743 -8.598 -11.228 1.00 0.00 C ATOM 0 H VAL A 26 -12.168 -11.570 -11.051 1.00 0.00 H new ATOM 0 HA VAL A 26 -14.760 -11.099 -12.269 1.00 0.00 H new ATOM 0 HB VAL A 26 -14.778 -9.210 -11.051 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -13.682 -9.591 -8.871 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -14.445 -11.070 -9.502 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -12.680 -10.866 -9.606 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -12.804 -7.873 -10.416 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.751 -9.050 -11.238 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -12.921 -8.094 -12.178 1.00 0.00 H new ATOM 327 N GLU A 27 -11.998 -9.965 -13.621 1.00 0.00 N ATOM 328 CA GLU A 27 -11.438 -9.411 -14.843 1.00 0.00 C ATOM 329 C GLU A 27 -12.172 -9.970 -16.063 1.00 0.00 C ATOM 330 O GLU A 27 -12.563 -11.136 -16.077 1.00 0.00 O ATOM 331 CB GLU A 27 -9.936 -9.688 -14.932 1.00 0.00 C ATOM 332 CG GLU A 27 -9.349 -9.115 -16.223 1.00 0.00 C ATOM 333 CD GLU A 27 -8.804 -10.229 -17.120 1.00 0.00 C ATOM 334 OE1 GLU A 27 -7.619 -10.209 -17.483 1.00 0.00 O ATOM 335 OE2 GLU A 27 -9.661 -11.139 -17.439 1.00 0.00 O ATOM 0 H GLU A 27 -11.310 -10.203 -12.906 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.574 -8.330 -14.825 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -9.430 -9.249 -14.072 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -9.758 -10.763 -14.893 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.116 -8.555 -16.758 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.550 -8.413 -15.983 1.00 0.00 H new ATOM 343 N ALA A 28 -12.337 -9.112 -17.059 1.00 0.00 N ATOM 344 CA ALA A 28 -13.017 -9.505 -18.281 1.00 0.00 C ATOM 345 C ALA A 28 -12.016 -9.509 -19.438 1.00 0.00 C ATOM 346 O ALA A 28 -11.256 -8.557 -19.610 1.00 0.00 O ATOM 347 CB ALA A 28 -14.197 -8.564 -18.535 1.00 0.00 C ATOM 0 H ALA A 28 -12.011 -8.146 -17.044 1.00 0.00 H new ATOM 0 HA ALA A 28 -13.419 -10.514 -18.188 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -14.707 -8.859 -19.452 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -14.893 -8.620 -17.698 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -13.832 -7.542 -18.636 1.00 0.00 H new ATOM 353 N GLY A 29 -12.047 -10.592 -20.201 1.00 0.00 N ATOM 354 CA GLY A 29 -11.151 -10.733 -21.337 1.00 0.00 C ATOM 355 C GLY A 29 -9.796 -11.293 -20.901 1.00 0.00 C ATOM 356 O GLY A 29 -9.640 -11.733 -19.763 1.00 0.00 O ATOM 0 H GLY A 29 -12.678 -11.380 -20.055 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -11.600 -11.394 -22.079 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -11.011 -9.764 -21.816 1.00 0.00 H new ATOM 360 N ASN A 30 -8.851 -11.259 -21.829 1.00 0.00 N ATOM 361 CA ASN A 30 -7.514 -11.758 -21.554 1.00 0.00 C ATOM 362 C ASN A 30 -6.512 -10.608 -21.666 1.00 0.00 C ATOM 363 O ASN A 30 -5.464 -10.751 -22.294 1.00 0.00 O ATOM 364 CB ASN A 30 -7.111 -12.836 -22.562 1.00 0.00 C ATOM 365 CG ASN A 30 -7.563 -14.221 -22.094 1.00 0.00 C ATOM 366 OD1 ASN A 30 -8.742 -14.519 -21.999 1.00 0.00 O ATOM 367 ND2 ASN A 30 -6.562 -15.048 -21.807 1.00 0.00 N ATOM 0 H ASN A 30 -8.984 -10.894 -22.772 1.00 0.00 H new ATOM 0 HA ASN A 30 -7.513 -12.184 -20.550 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -7.553 -12.614 -23.533 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -6.029 -12.828 -22.695 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -6.760 -15.996 -21.486 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -5.597 -14.735 -21.908 1.00 0.00 H new ATOM 374 N THR A 31 -6.869 -9.492 -21.047 1.00 0.00 N ATOM 375 CA THR A 31 -6.014 -8.317 -21.069 1.00 0.00 C ATOM 376 C THR A 31 -5.324 -8.134 -19.716 1.00 0.00 C ATOM 377 O THR A 31 -4.306 -7.450 -19.621 1.00 0.00 O ATOM 378 CB THR A 31 -6.869 -7.118 -21.482 1.00 0.00 C ATOM 379 OG1 THR A 31 -7.602 -6.792 -20.304 1.00 0.00 O ATOM 380 CG2 THR A 31 -7.947 -7.491 -22.501 1.00 0.00 C ATOM 0 H THR A 31 -7.739 -9.377 -20.527 1.00 0.00 H new ATOM 0 HA THR A 31 -5.210 -8.427 -21.796 1.00 0.00 H new ATOM 0 HB THR A 31 -6.228 -6.342 -21.900 1.00 0.00 H new ATOM 0 HG1 THR A 31 -8.182 -6.022 -20.482 1.00 0.00 H new ATOM 0 HG21 THR A 31 -8.525 -6.604 -22.760 1.00 0.00 H new ATOM 0 HG22 THR A 31 -7.476 -7.892 -23.398 1.00 0.00 H new ATOM 0 HG23 THR A 31 -8.609 -8.243 -22.072 1.00 0.00 H new ATOM 388 N GLY A 32 -5.905 -8.759 -18.702 1.00 0.00 N ATOM 389 CA GLY A 32 -5.359 -8.673 -17.358 1.00 0.00 C ATOM 390 C GLY A 32 -5.871 -7.425 -16.636 1.00 0.00 C ATOM 391 O GLY A 32 -5.454 -7.137 -15.515 1.00 0.00 O ATOM 0 H GLY A 32 -6.748 -9.327 -18.784 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.634 -9.563 -16.792 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.270 -8.649 -17.405 1.00 0.00 H new ATOM 395 N ARG A 33 -6.768 -6.718 -17.308 1.00 0.00 N ATOM 396 CA ARG A 33 -7.341 -5.508 -16.745 1.00 0.00 C ATOM 397 C ARG A 33 -8.743 -5.789 -16.200 1.00 0.00 C ATOM 398 O ARG A 33 -9.575 -6.376 -16.889 1.00 0.00 O ATOM 399 CB ARG A 33 -7.422 -4.397 -17.794 1.00 0.00 C ATOM 400 CG ARG A 33 -6.044 -3.786 -18.053 1.00 0.00 C ATOM 401 CD ARG A 33 -6.142 -2.271 -18.241 1.00 0.00 C ATOM 402 NE ARG A 33 -4.825 -1.643 -17.990 1.00 0.00 N ATOM 403 CZ ARG A 33 -3.787 -1.692 -18.851 1.00 0.00 C ATOM 404 NH1 ARG A 33 -3.903 -2.341 -20.029 1.00 0.00 N ATOM 405 NH2 ARG A 33 -2.656 -1.096 -18.523 1.00 0.00 N ATOM 0 H ARG A 33 -7.112 -6.960 -18.237 1.00 0.00 H new ATOM 0 HA ARG A 33 -6.691 -5.179 -15.934 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.826 -4.798 -18.723 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -8.110 -3.622 -17.456 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.380 -4.010 -17.218 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -5.603 -4.238 -18.941 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -6.476 -2.043 -19.253 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -6.886 -1.859 -17.559 1.00 0.00 H new ATOM 0 HE ARG A 33 -4.694 -1.142 -17.111 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -4.780 -2.799 -20.274 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -3.113 -2.373 -20.674 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -2.577 -0.608 -17.631 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -1.861 -1.123 -19.162 1.00 0.00 H new ATOM 418 N VAL A 34 -8.962 -5.355 -14.967 1.00 0.00 N ATOM 419 CA VAL A 34 -10.248 -5.553 -14.321 1.00 0.00 C ATOM 420 C VAL A 34 -11.198 -4.426 -14.732 1.00 0.00 C ATOM 421 O VAL A 34 -11.051 -3.290 -14.282 1.00 0.00 O ATOM 422 CB VAL A 34 -10.063 -5.657 -12.806 1.00 0.00 C ATOM 423 CG1 VAL A 34 -11.414 -5.756 -12.094 1.00 0.00 C ATOM 424 CG2 VAL A 34 -9.164 -6.840 -12.444 1.00 0.00 C ATOM 0 H VAL A 34 -8.270 -4.867 -14.398 1.00 0.00 H new ATOM 0 HA VAL A 34 -10.698 -6.492 -14.644 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.571 -4.746 -12.465 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -11.254 -5.829 -11.018 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -12.007 -4.868 -12.313 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -11.945 -6.642 -12.443 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -9.049 -6.891 -11.361 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -9.616 -7.764 -12.805 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.186 -6.709 -12.907 1.00 0.00 H new ATOM 434 N LEU A 35 -12.152 -4.778 -15.581 1.00 0.00 N ATOM 435 CA LEU A 35 -13.126 -3.811 -16.057 1.00 0.00 C ATOM 436 C LEU A 35 -13.827 -3.168 -14.858 1.00 0.00 C ATOM 437 O LEU A 35 -14.452 -2.117 -14.991 1.00 0.00 O ATOM 438 CB LEU A 35 -14.086 -4.462 -17.054 1.00 0.00 C ATOM 439 CG LEU A 35 -13.995 -3.963 -18.497 1.00 0.00 C ATOM 440 CD1 LEU A 35 -14.783 -4.872 -19.443 1.00 0.00 C ATOM 441 CD2 LEU A 35 -14.441 -2.503 -18.601 1.00 0.00 C ATOM 0 H LEU A 35 -12.271 -5.721 -15.952 1.00 0.00 H new ATOM 0 HA LEU A 35 -12.630 -3.010 -16.605 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -13.908 -5.537 -17.051 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -15.105 -4.307 -16.701 1.00 0.00 H new ATOM 0 HG LEU A 35 -12.951 -4.004 -18.807 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -14.702 -4.494 -20.462 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -14.378 -5.883 -19.397 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -15.831 -4.887 -19.144 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -14.367 -2.173 -19.637 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -15.474 -2.413 -18.265 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -13.800 -1.881 -17.975 1.00 0.00 H new ATOM 453 N ALA A 36 -13.700 -3.826 -13.716 1.00 0.00 N ATOM 454 CA ALA A 36 -14.313 -3.332 -12.495 1.00 0.00 C ATOM 455 C ALA A 36 -15.763 -3.815 -12.426 1.00 0.00 C ATOM 456 O ALA A 36 -16.184 -4.388 -11.422 1.00 0.00 O ATOM 457 CB ALA A 36 -14.205 -1.806 -12.450 1.00 0.00 C ATOM 0 H ALA A 36 -13.181 -4.698 -13.610 1.00 0.00 H new ATOM 0 HA ALA A 36 -13.793 -3.722 -11.620 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -14.665 -1.436 -11.534 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -13.155 -1.515 -12.472 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -14.718 -1.379 -13.312 1.00 0.00 H new ATOM 463 N LEU A 37 -16.488 -3.567 -13.507 1.00 0.00 N ATOM 464 CA LEU A 37 -17.882 -3.969 -13.582 1.00 0.00 C ATOM 465 C LEU A 37 -18.044 -5.353 -12.949 1.00 0.00 C ATOM 466 O LEU A 37 -18.918 -5.556 -12.108 1.00 0.00 O ATOM 467 CB LEU A 37 -18.386 -3.890 -15.025 1.00 0.00 C ATOM 468 CG LEU A 37 -19.181 -2.635 -15.390 1.00 0.00 C ATOM 469 CD1 LEU A 37 -18.245 -1.474 -15.733 1.00 0.00 C ATOM 470 CD2 LEU A 37 -20.173 -2.924 -16.518 1.00 0.00 C ATOM 0 H LEU A 37 -16.136 -3.092 -14.338 1.00 0.00 H new ATOM 0 HA LEU A 37 -18.508 -3.282 -13.012 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -17.527 -3.959 -15.693 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -19.012 -4.761 -15.219 1.00 0.00 H new ATOM 0 HG LEU A 37 -19.763 -2.333 -14.519 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -18.835 -0.594 -15.989 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -17.613 -1.250 -14.873 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -17.619 -1.750 -16.581 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -20.725 -2.016 -16.758 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -19.631 -3.264 -17.401 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -20.870 -3.699 -16.200 1.00 0.00 H new ATOM 482 N ASP A 38 -17.187 -6.268 -13.378 1.00 0.00 N ATOM 483 CA ASP A 38 -17.224 -7.627 -12.864 1.00 0.00 C ATOM 484 C ASP A 38 -16.817 -7.620 -11.389 1.00 0.00 C ATOM 485 O ASP A 38 -17.424 -8.309 -10.571 1.00 0.00 O ATOM 486 CB ASP A 38 -16.247 -8.529 -13.620 1.00 0.00 C ATOM 487 CG ASP A 38 -16.897 -9.655 -14.426 1.00 0.00 C ATOM 488 OD1 ASP A 38 -17.734 -10.410 -13.908 1.00 0.00 O ATOM 489 OD2 ASP A 38 -16.508 -9.743 -15.652 1.00 0.00 O ATOM 0 H ASP A 38 -16.463 -6.095 -14.075 1.00 0.00 H new ATOM 0 HA ASP A 38 -18.237 -8.008 -12.990 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -15.656 -7.912 -14.297 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -15.554 -8.969 -12.903 1.00 0.00 H new ATOM 495 N ALA A 39 -15.792 -6.834 -11.094 1.00 0.00 N ATOM 496 CA ALA A 39 -15.296 -6.729 -9.733 1.00 0.00 C ATOM 497 C ALA A 39 -16.477 -6.543 -8.778 1.00 0.00 C ATOM 498 O ALA A 39 -16.606 -7.272 -7.795 1.00 0.00 O ATOM 499 CB ALA A 39 -14.289 -5.581 -9.643 1.00 0.00 C ATOM 0 H ALA A 39 -15.291 -6.263 -11.775 1.00 0.00 H new ATOM 0 HA ALA A 39 -14.776 -7.642 -9.443 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -13.917 -5.503 -8.621 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -13.456 -5.774 -10.319 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -14.776 -4.647 -9.925 1.00 0.00 H new ATOM 505 N ALA A 40 -17.310 -5.565 -9.100 1.00 0.00 N ATOM 506 CA ALA A 40 -18.476 -5.275 -8.283 1.00 0.00 C ATOM 507 C ALA A 40 -19.375 -6.512 -8.227 1.00 0.00 C ATOM 508 O ALA A 40 -20.070 -6.734 -7.237 1.00 0.00 O ATOM 509 CB ALA A 40 -19.203 -4.052 -8.847 1.00 0.00 C ATOM 0 H ALA A 40 -17.201 -4.963 -9.916 1.00 0.00 H new ATOM 0 HA ALA A 40 -18.179 -5.036 -7.262 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -20.078 -3.834 -8.234 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -18.531 -3.194 -8.839 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -19.518 -4.256 -9.870 1.00 0.00 H new ATOM 515 N ALA A 41 -19.330 -7.285 -9.302 1.00 0.00 N ATOM 516 CA ALA A 41 -20.132 -8.494 -9.387 1.00 0.00 C ATOM 517 C ALA A 41 -19.639 -9.502 -8.346 1.00 0.00 C ATOM 518 O ALA A 41 -20.426 -10.011 -7.549 1.00 0.00 O ATOM 519 CB ALA A 41 -20.069 -9.050 -10.811 1.00 0.00 C ATOM 0 H ALA A 41 -18.751 -7.098 -10.121 1.00 0.00 H new ATOM 0 HA ALA A 41 -21.177 -8.277 -9.168 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -20.671 -9.957 -10.874 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -20.457 -8.308 -11.509 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -19.035 -9.282 -11.066 1.00 0.00 H new ATOM 525 N PHE A 42 -18.340 -9.760 -8.388 1.00 0.00 N ATOM 526 CA PHE A 42 -17.734 -10.698 -7.458 1.00 0.00 C ATOM 527 C PHE A 42 -17.826 -10.182 -6.021 1.00 0.00 C ATOM 528 O PHE A 42 -18.037 -10.959 -5.091 1.00 0.00 O ATOM 529 CB PHE A 42 -16.260 -10.824 -7.848 1.00 0.00 C ATOM 530 CG PHE A 42 -15.439 -11.705 -6.904 1.00 0.00 C ATOM 531 CD1 PHE A 42 -15.824 -12.987 -6.664 1.00 0.00 C ATOM 532 CD2 PHE A 42 -14.326 -11.205 -6.304 1.00 0.00 C ATOM 533 CE1 PHE A 42 -15.062 -13.805 -5.788 1.00 0.00 C ATOM 534 CE2 PHE A 42 -13.564 -12.023 -5.427 1.00 0.00 C ATOM 535 CZ PHE A 42 -13.949 -13.305 -5.188 1.00 0.00 C ATOM 0 H PHE A 42 -17.691 -9.336 -9.051 1.00 0.00 H new ATOM 0 HA PHE A 42 -18.251 -11.656 -7.505 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -16.195 -11.232 -8.857 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -15.816 -9.829 -7.877 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -16.709 -13.383 -7.139 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -14.021 -10.186 -6.494 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -15.366 -14.824 -5.599 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -12.680 -11.627 -4.951 1.00 0.00 H new ATOM 0 HZ PHE A 42 -13.370 -13.927 -4.521 1.00 0.00 H new ATOM 545 N LEU A 43 -17.663 -8.874 -5.883 1.00 0.00 N ATOM 546 CA LEU A 43 -17.725 -8.245 -4.575 1.00 0.00 C ATOM 547 C LEU A 43 -19.061 -8.587 -3.913 1.00 0.00 C ATOM 548 O LEU A 43 -19.096 -9.014 -2.760 1.00 0.00 O ATOM 549 CB LEU A 43 -17.462 -6.742 -4.690 1.00 0.00 C ATOM 550 CG LEU A 43 -16.023 -6.336 -5.014 1.00 0.00 C ATOM 551 CD1 LEU A 43 -15.958 -4.886 -5.496 1.00 0.00 C ATOM 552 CD2 LEU A 43 -15.100 -6.586 -3.820 1.00 0.00 C ATOM 0 H LEU A 43 -17.488 -8.232 -6.656 1.00 0.00 H new ATOM 0 HA LEU A 43 -16.939 -8.634 -3.927 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -18.116 -6.337 -5.463 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -17.749 -6.270 -3.750 1.00 0.00 H new ATOM 0 HG LEU A 43 -15.667 -6.963 -5.832 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -14.924 -4.623 -5.719 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -16.563 -4.774 -6.395 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -16.340 -4.226 -4.717 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -14.083 -6.289 -4.077 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -15.443 -6.002 -2.966 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -15.115 -7.646 -3.564 1.00 0.00 H new ATOM 564 N LYS A 44 -20.129 -8.385 -4.670 1.00 0.00 N ATOM 565 CA LYS A 44 -21.465 -8.666 -4.171 1.00 0.00 C ATOM 566 C LYS A 44 -21.483 -10.055 -3.530 1.00 0.00 C ATOM 567 O LYS A 44 -22.327 -10.340 -2.682 1.00 0.00 O ATOM 568 CB LYS A 44 -22.501 -8.489 -5.283 1.00 0.00 C ATOM 569 CG LYS A 44 -22.846 -7.012 -5.481 1.00 0.00 C ATOM 570 CD LYS A 44 -24.361 -6.797 -5.476 1.00 0.00 C ATOM 571 CE LYS A 44 -24.903 -6.682 -6.902 1.00 0.00 C ATOM 572 NZ LYS A 44 -24.995 -5.261 -7.308 1.00 0.00 N ATOM 0 H LYS A 44 -20.097 -8.030 -5.626 1.00 0.00 H new ATOM 0 HA LYS A 44 -21.740 -7.952 -3.395 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -22.115 -8.904 -6.214 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -23.404 -9.047 -5.036 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -22.388 -6.419 -4.689 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -22.428 -6.661 -6.425 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -24.848 -7.627 -4.964 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -24.602 -5.892 -4.918 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -24.252 -7.222 -7.590 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -25.886 -7.148 -6.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -25.365 -5.200 -8.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -25.634 -4.756 -6.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -24.051 -4.827 -7.270 1.00 0.00 H new ATOM 583 N LYS A 45 -20.541 -10.882 -3.959 1.00 0.00 N ATOM 584 CA LYS A 45 -20.438 -12.234 -3.437 1.00 0.00 C ATOM 585 C LYS A 45 -19.695 -12.205 -2.100 1.00 0.00 C ATOM 586 O LYS A 45 -19.114 -13.207 -1.686 1.00 0.00 O ATOM 587 CB LYS A 45 -19.802 -13.162 -4.473 1.00 0.00 C ATOM 588 CG LYS A 45 -20.423 -12.948 -5.855 1.00 0.00 C ATOM 589 CD LYS A 45 -20.081 -14.105 -6.795 1.00 0.00 C ATOM 590 CE LYS A 45 -20.703 -13.891 -8.177 1.00 0.00 C ATOM 591 NZ LYS A 45 -22.024 -14.553 -8.259 1.00 0.00 N ATOM 0 H LYS A 45 -19.842 -10.642 -4.662 1.00 0.00 H new ATOM 0 HA LYS A 45 -21.429 -12.643 -3.243 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -18.729 -12.979 -4.520 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -19.935 -14.200 -4.167 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -21.505 -12.859 -5.761 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -20.061 -12.011 -6.279 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -18.999 -14.194 -6.889 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -20.442 -15.042 -6.371 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -20.812 -12.824 -8.372 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -20.041 -14.290 -8.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -22.432 -14.398 -9.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -21.912 -15.574 -8.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -22.658 -14.153 -7.538 1.00 0.00 H new ATOM 602 N SER A 46 -19.739 -11.045 -1.460 1.00 0.00 N ATOM 603 CA SER A 46 -19.077 -10.872 -0.178 1.00 0.00 C ATOM 604 C SER A 46 -20.057 -11.161 0.960 1.00 0.00 C ATOM 605 O SER A 46 -20.006 -12.226 1.572 1.00 0.00 O ATOM 606 CB SER A 46 -18.504 -9.460 -0.041 1.00 0.00 C ATOM 607 OG SER A 46 -19.529 -8.475 0.057 1.00 0.00 O ATOM 0 H SER A 46 -20.223 -10.216 -1.806 1.00 0.00 H new ATOM 0 HA SER A 46 -18.248 -11.578 -0.122 1.00 0.00 H new ATOM 0 HB2 SER A 46 -17.868 -9.411 0.843 1.00 0.00 H new ATOM 0 HB3 SER A 46 -17.871 -9.240 -0.901 1.00 0.00 H new ATOM 0 HG SER A 46 -19.841 -8.237 -0.841 1.00 0.00 H new ATOM 613 N GLY A 47 -20.926 -10.192 1.209 1.00 0.00 N ATOM 614 CA GLY A 47 -21.917 -10.329 2.264 1.00 0.00 C ATOM 615 C GLY A 47 -22.475 -8.965 2.672 1.00 0.00 C ATOM 616 O GLY A 47 -23.616 -8.865 3.121 1.00 0.00 O ATOM 0 H GLY A 47 -20.965 -9.309 0.699 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -22.729 -10.971 1.924 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -21.467 -10.816 3.129 1.00 0.00 H new ATOM 620 N LEU A 48 -21.644 -7.946 2.503 1.00 0.00 N ATOM 621 CA LEU A 48 -22.040 -6.592 2.849 1.00 0.00 C ATOM 622 C LEU A 48 -23.146 -6.130 1.898 1.00 0.00 C ATOM 623 O LEU A 48 -23.333 -6.709 0.829 1.00 0.00 O ATOM 624 CB LEU A 48 -20.822 -5.666 2.870 1.00 0.00 C ATOM 625 CG LEU A 48 -20.003 -5.664 4.162 1.00 0.00 C ATOM 626 CD1 LEU A 48 -18.579 -5.166 3.908 1.00 0.00 C ATOM 627 CD2 LEU A 48 -20.706 -4.858 5.255 1.00 0.00 C ATOM 0 H LEU A 48 -20.698 -8.032 2.131 1.00 0.00 H new ATOM 0 HA LEU A 48 -22.452 -6.562 3.858 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -20.164 -5.945 2.047 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -21.161 -4.648 2.677 1.00 0.00 H new ATOM 0 HG LEU A 48 -19.925 -6.691 4.519 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -18.018 -5.175 4.843 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -18.089 -5.818 3.185 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -18.614 -4.150 3.515 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -20.103 -4.873 6.163 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -20.835 -3.828 4.922 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -21.682 -5.298 5.461 1.00 0.00 H new ATOM 639 N PRO A 49 -23.871 -5.065 2.334 1.00 0.00 N ATOM 640 CA PRO A 49 -24.954 -4.519 1.534 1.00 0.00 C ATOM 641 C PRO A 49 -24.410 -3.711 0.353 1.00 0.00 C ATOM 642 O PRO A 49 -23.214 -3.435 0.283 1.00 0.00 O ATOM 643 CB PRO A 49 -25.773 -3.679 2.501 1.00 0.00 C ATOM 644 CG PRO A 49 -24.865 -3.409 3.690 1.00 0.00 C ATOM 645 CD PRO A 49 -23.678 -4.354 3.594 1.00 0.00 C ATOM 0 HA PRO A 49 -25.571 -5.293 1.078 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -26.093 -2.747 2.035 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -26.675 -4.207 2.810 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -24.529 -2.372 3.686 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -25.403 -3.566 4.625 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -22.735 -3.807 3.600 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -23.652 -5.044 4.438 1.00 0.00 H new ATOM 653 N ASP A 50 -25.316 -3.355 -0.545 1.00 0.00 N ATOM 654 CA ASP A 50 -24.943 -2.584 -1.719 1.00 0.00 C ATOM 655 C ASP A 50 -24.678 -1.134 -1.310 1.00 0.00 C ATOM 656 O ASP A 50 -23.790 -0.483 -1.858 1.00 0.00 O ATOM 657 CB ASP A 50 -26.066 -2.584 -2.758 1.00 0.00 C ATOM 658 CG ASP A 50 -27.307 -1.778 -2.370 1.00 0.00 C ATOM 659 OD1 ASP A 50 -27.920 -2.015 -1.318 1.00 0.00 O ATOM 660 OD2 ASP A 50 -27.644 -0.858 -3.209 1.00 0.00 O ATOM 0 H ASP A 50 -26.308 -3.586 -0.484 1.00 0.00 H new ATOM 0 HA ASP A 50 -24.052 -3.039 -2.151 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -25.673 -2.189 -3.695 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -26.365 -3.615 -2.947 1.00 0.00 H new ATOM 666 N LEU A 51 -25.465 -0.671 -0.349 1.00 0.00 N ATOM 667 CA LEU A 51 -25.326 0.690 0.140 1.00 0.00 C ATOM 668 C LEU A 51 -23.916 0.885 0.701 1.00 0.00 C ATOM 669 O LEU A 51 -23.148 1.699 0.190 1.00 0.00 O ATOM 670 CB LEU A 51 -26.436 1.014 1.142 1.00 0.00 C ATOM 671 CG LEU A 51 -26.004 1.771 2.400 1.00 0.00 C ATOM 672 CD1 LEU A 51 -25.386 3.124 2.040 1.00 0.00 C ATOM 673 CD2 LEU A 51 -27.170 1.917 3.380 1.00 0.00 C ATOM 0 H LEU A 51 -26.200 -1.214 0.103 1.00 0.00 H new ATOM 0 HA LEU A 51 -25.446 1.402 -0.676 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -27.198 1.603 0.632 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -26.906 0.079 1.448 1.00 0.00 H new ATOM 0 HG LEU A 51 -25.233 1.187 2.902 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -25.088 3.642 2.952 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -24.511 2.968 1.408 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -26.118 3.727 1.503 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -26.836 2.458 4.265 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -27.980 2.468 2.902 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -27.526 0.929 3.672 1.00 0.00 H new ATOM 685 N ILE A 52 -23.617 0.124 1.743 1.00 0.00 N ATOM 686 CA ILE A 52 -22.313 0.202 2.378 1.00 0.00 C ATOM 687 C ILE A 52 -21.226 -0.069 1.336 1.00 0.00 C ATOM 688 O ILE A 52 -20.151 0.527 1.385 1.00 0.00 O ATOM 689 CB ILE A 52 -22.249 -0.729 3.590 1.00 0.00 C ATOM 690 CG1 ILE A 52 -23.325 -0.367 4.617 1.00 0.00 C ATOM 691 CG2 ILE A 52 -20.848 -0.735 4.205 1.00 0.00 C ATOM 692 CD1 ILE A 52 -22.857 0.775 5.521 1.00 0.00 C ATOM 0 H ILE A 52 -24.256 -0.550 2.164 1.00 0.00 H new ATOM 0 HA ILE A 52 -22.139 1.205 2.767 1.00 0.00 H new ATOM 0 HB ILE A 52 -22.455 -1.744 3.251 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -24.241 -0.076 4.102 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -23.563 -1.241 5.223 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -20.831 -1.405 5.065 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -20.127 -1.078 3.463 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -20.587 0.274 4.526 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -23.640 1.013 6.241 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -21.955 0.472 6.052 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -22.643 1.655 4.914 1.00 0.00 H new ATOM 704 N LEU A 53 -21.543 -0.970 0.418 1.00 0.00 N ATOM 705 CA LEU A 53 -20.607 -1.328 -0.634 1.00 0.00 C ATOM 706 C LEU A 53 -20.310 -0.094 -1.488 1.00 0.00 C ATOM 707 O LEU A 53 -19.149 0.244 -1.714 1.00 0.00 O ATOM 708 CB LEU A 53 -21.134 -2.519 -1.437 1.00 0.00 C ATOM 709 CG LEU A 53 -20.707 -3.903 -0.943 1.00 0.00 C ATOM 710 CD1 LEU A 53 -21.464 -5.007 -1.684 1.00 0.00 C ATOM 711 CD2 LEU A 53 -19.191 -4.078 -1.045 1.00 0.00 C ATOM 0 H LEU A 53 -22.435 -1.463 0.381 1.00 0.00 H new ATOM 0 HA LEU A 53 -19.660 -1.655 -0.206 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -22.223 -2.476 -1.440 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -20.808 -2.408 -2.471 1.00 0.00 H new ATOM 0 HG LEU A 53 -20.969 -3.986 0.112 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -21.142 -5.980 -1.314 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -22.535 -4.891 -1.515 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -21.256 -4.938 -2.752 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -18.914 -5.070 -0.688 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -18.881 -3.967 -2.084 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -18.696 -3.322 -0.436 1.00 0.00 H new ATOM 723 N GLY A 54 -21.379 0.546 -1.939 1.00 0.00 N ATOM 724 CA GLY A 54 -21.247 1.735 -2.763 1.00 0.00 C ATOM 725 C GLY A 54 -20.170 2.670 -2.208 1.00 0.00 C ATOM 726 O GLY A 54 -19.426 3.287 -2.969 1.00 0.00 O ATOM 0 H GLY A 54 -22.340 0.263 -1.749 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -20.994 1.448 -3.784 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -22.202 2.259 -2.807 1.00 0.00 H new ATOM 730 N LYS A 55 -20.122 2.745 -0.886 1.00 0.00 N ATOM 731 CA LYS A 55 -19.149 3.594 -0.221 1.00 0.00 C ATOM 732 C LYS A 55 -17.741 3.056 -0.487 1.00 0.00 C ATOM 733 O LYS A 55 -16.814 3.827 -0.730 1.00 0.00 O ATOM 734 CB LYS A 55 -19.484 3.730 1.266 1.00 0.00 C ATOM 735 CG LYS A 55 -20.491 4.858 1.501 1.00 0.00 C ATOM 736 CD LYS A 55 -19.815 6.073 2.139 1.00 0.00 C ATOM 737 CE LYS A 55 -20.280 6.262 3.584 1.00 0.00 C ATOM 738 NZ LYS A 55 -20.958 7.568 3.743 1.00 0.00 N ATOM 0 H LYS A 55 -20.741 2.232 -0.258 1.00 0.00 H new ATOM 0 HA LYS A 55 -19.186 4.605 -0.627 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -19.892 2.790 1.638 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -18.573 3.928 1.831 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -20.947 5.147 0.554 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -21.295 4.504 2.147 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -18.733 5.946 2.115 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -20.044 6.967 1.559 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -20.960 5.456 3.862 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -19.425 6.205 4.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -21.267 7.681 4.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -20.298 8.334 3.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -21.785 7.609 3.114 1.00 0.00 H new ATOM 749 N ILE A 56 -17.627 1.737 -0.433 1.00 0.00 N ATOM 750 CA ILE A 56 -16.348 1.087 -0.665 1.00 0.00 C ATOM 751 C ILE A 56 -15.816 1.495 -2.040 1.00 0.00 C ATOM 752 O ILE A 56 -14.708 2.018 -2.151 1.00 0.00 O ATOM 753 CB ILE A 56 -16.475 -0.426 -0.480 1.00 0.00 C ATOM 754 CG1 ILE A 56 -16.736 -0.779 0.986 1.00 0.00 C ATOM 755 CG2 ILE A 56 -15.248 -1.152 -1.034 1.00 0.00 C ATOM 756 CD1 ILE A 56 -16.753 -2.295 1.191 1.00 0.00 C ATOM 0 H ILE A 56 -18.399 1.101 -0.232 1.00 0.00 H new ATOM 0 HA ILE A 56 -15.615 1.415 0.072 1.00 0.00 H new ATOM 0 HB ILE A 56 -17.337 -0.768 -1.053 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -15.965 -0.332 1.614 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -17.689 -0.355 1.302 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -15.365 -2.226 -0.889 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -15.148 -0.938 -2.098 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -14.356 -0.810 -0.510 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -16.940 -2.518 2.241 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -17.541 -2.736 0.580 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -15.790 -2.713 0.898 1.00 0.00 H new ATOM 768 N TRP A 57 -16.630 1.241 -3.054 1.00 0.00 N ATOM 769 CA TRP A 57 -16.255 1.575 -4.418 1.00 0.00 C ATOM 770 C TRP A 57 -15.915 3.066 -4.462 1.00 0.00 C ATOM 771 O TRP A 57 -14.820 3.444 -4.875 1.00 0.00 O ATOM 772 CB TRP A 57 -17.359 1.184 -5.402 1.00 0.00 C ATOM 773 CG TRP A 57 -16.920 1.196 -6.867 1.00 0.00 C ATOM 774 CD1 TRP A 57 -16.749 2.256 -7.669 1.00 0.00 C ATOM 775 CD2 TRP A 57 -16.600 0.046 -7.678 1.00 0.00 C ATOM 776 NE1 TRP A 57 -16.344 1.875 -8.932 1.00 0.00 N ATOM 777 CE2 TRP A 57 -16.250 0.488 -8.938 1.00 0.00 C ATOM 778 CE3 TRP A 57 -16.605 -1.323 -7.358 1.00 0.00 C ATOM 779 CZ2 TRP A 57 -15.881 -0.373 -9.978 1.00 0.00 C ATOM 780 CZ3 TRP A 57 -16.233 -2.171 -8.408 1.00 0.00 C ATOM 781 CH2 TRP A 57 -15.879 -1.741 -9.682 1.00 0.00 C ATOM 0 H TRP A 57 -17.548 0.808 -2.958 1.00 0.00 H new ATOM 0 HA TRP A 57 -15.377 1.008 -4.727 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -17.720 0.187 -5.150 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -18.199 1.867 -5.280 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -16.908 3.280 -7.365 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -16.149 2.497 -9.717 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -16.875 -1.691 -6.379 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -15.612 -0.002 -10.956 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -16.220 -3.234 -8.215 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -15.604 -2.459 -10.440 1.00 0.00 H new ATOM 792 N ASP A 58 -16.874 3.872 -4.031 1.00 0.00 N ATOM 793 CA ASP A 58 -16.690 5.313 -4.017 1.00 0.00 C ATOM 794 C ASP A 58 -15.339 5.644 -3.380 1.00 0.00 C ATOM 795 O ASP A 58 -14.704 6.634 -3.740 1.00 0.00 O ATOM 796 CB ASP A 58 -17.781 6.000 -3.193 1.00 0.00 C ATOM 797 CG ASP A 58 -18.259 7.344 -3.746 1.00 0.00 C ATOM 798 OD1 ASP A 58 -17.547 8.009 -4.513 1.00 0.00 O ATOM 799 OD2 ASP A 58 -19.432 7.710 -3.352 1.00 0.00 O ATOM 0 H ASP A 58 -17.781 3.554 -3.689 1.00 0.00 H new ATOM 0 HA ASP A 58 -16.737 5.669 -5.046 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -18.637 5.329 -3.120 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -17.408 6.153 -2.180 1.00 0.00 H new ATOM 805 N LEU A 59 -14.938 4.796 -2.444 1.00 0.00 N ATOM 806 CA LEU A 59 -13.674 4.986 -1.753 1.00 0.00 C ATOM 807 C LEU A 59 -12.554 4.324 -2.558 1.00 0.00 C ATOM 808 O LEU A 59 -11.406 4.764 -2.511 1.00 0.00 O ATOM 809 CB LEU A 59 -13.772 4.488 -0.310 1.00 0.00 C ATOM 810 CG LEU A 59 -12.486 4.570 0.516 1.00 0.00 C ATOM 811 CD1 LEU A 59 -11.595 3.353 0.264 1.00 0.00 C ATOM 812 CD2 LEU A 59 -11.749 5.885 0.254 1.00 0.00 C ATOM 0 H LEU A 59 -15.467 3.975 -2.148 1.00 0.00 H new ATOM 0 HA LEU A 59 -13.433 6.047 -1.683 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -14.545 5.062 0.200 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -14.104 3.450 -0.326 1.00 0.00 H new ATOM 0 HG LEU A 59 -12.756 4.558 1.572 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -10.688 3.436 0.863 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -12.131 2.446 0.542 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -11.330 3.309 -0.792 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -10.839 5.918 0.853 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -11.490 5.953 -0.803 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -12.392 6.723 0.525 1.00 0.00 H new ATOM 824 N ALA A 60 -12.926 3.276 -3.278 1.00 0.00 N ATOM 825 CA ALA A 60 -11.967 2.548 -4.092 1.00 0.00 C ATOM 826 C ALA A 60 -11.654 3.359 -5.351 1.00 0.00 C ATOM 827 O ALA A 60 -10.516 3.779 -5.555 1.00 0.00 O ATOM 828 CB ALA A 60 -12.522 1.160 -4.416 1.00 0.00 C ATOM 0 H ALA A 60 -13.879 2.913 -3.315 1.00 0.00 H new ATOM 0 HA ALA A 60 -11.032 2.407 -3.550 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -11.803 0.614 -5.027 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -12.700 0.614 -3.490 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -13.459 1.262 -4.963 1.00 0.00 H new ATOM 834 N ASP A 61 -12.683 3.555 -6.162 1.00 0.00 N ATOM 835 CA ASP A 61 -12.532 4.308 -7.395 1.00 0.00 C ATOM 836 C ASP A 61 -11.564 5.470 -7.162 1.00 0.00 C ATOM 837 O ASP A 61 -11.765 6.278 -6.257 1.00 0.00 O ATOM 838 CB ASP A 61 -13.870 4.892 -7.851 1.00 0.00 C ATOM 839 CG ASP A 61 -13.837 5.605 -9.205 1.00 0.00 C ATOM 840 OD1 ASP A 61 -13.941 6.838 -9.280 1.00 0.00 O ATOM 841 OD2 ASP A 61 -13.696 4.829 -10.226 1.00 0.00 O ATOM 0 H ASP A 61 -13.625 3.205 -5.989 1.00 0.00 H new ATOM 0 HA ASP A 61 -12.155 3.630 -8.160 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -14.603 4.087 -7.899 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -14.219 5.596 -7.095 1.00 0.00 H new ATOM 847 N THR A 62 -10.534 5.516 -7.995 1.00 0.00 N ATOM 848 CA THR A 62 -9.534 6.565 -7.891 1.00 0.00 C ATOM 849 C THR A 62 -8.883 6.818 -9.252 1.00 0.00 C ATOM 850 O THR A 62 -8.705 7.966 -9.656 1.00 0.00 O ATOM 851 CB THR A 62 -8.535 6.161 -6.805 1.00 0.00 C ATOM 852 OG1 THR A 62 -9.208 6.460 -5.585 1.00 0.00 O ATOM 853 CG2 THR A 62 -7.300 7.064 -6.780 1.00 0.00 C ATOM 0 H THR A 62 -10.371 4.844 -8.745 1.00 0.00 H new ATOM 0 HA THR A 62 -9.985 7.514 -7.600 1.00 0.00 H new ATOM 0 HB THR A 62 -8.226 5.128 -6.963 1.00 0.00 H new ATOM 0 HG1 THR A 62 -10.108 6.795 -5.781 1.00 0.00 H new ATOM 0 HG21 THR A 62 -6.624 6.734 -5.992 1.00 0.00 H new ATOM 0 HG22 THR A 62 -6.790 7.010 -7.742 1.00 0.00 H new ATOM 0 HG23 THR A 62 -7.605 8.093 -6.589 1.00 0.00 H new ATOM 861 N ASP A 63 -8.546 5.726 -9.923 1.00 0.00 N ATOM 862 CA ASP A 63 -7.918 5.815 -11.230 1.00 0.00 C ATOM 863 C ASP A 63 -8.869 6.518 -12.201 1.00 0.00 C ATOM 864 O ASP A 63 -8.451 7.383 -12.968 1.00 0.00 O ATOM 865 CB ASP A 63 -7.613 4.424 -11.790 1.00 0.00 C ATOM 866 CG ASP A 63 -6.470 4.372 -12.806 1.00 0.00 C ATOM 867 OD1 ASP A 63 -5.619 5.273 -12.855 1.00 0.00 O ATOM 868 OD2 ASP A 63 -6.474 3.340 -13.579 1.00 0.00 O ATOM 0 H ASP A 63 -8.696 4.775 -9.586 1.00 0.00 H new ATOM 0 HA ASP A 63 -6.987 6.372 -11.120 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.372 3.760 -10.960 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.515 4.032 -12.260 1.00 0.00 H new ATOM 874 N GLY A 64 -10.131 6.119 -12.136 1.00 0.00 N ATOM 875 CA GLY A 64 -11.145 6.700 -12.999 1.00 0.00 C ATOM 876 C GLY A 64 -11.577 5.708 -14.082 1.00 0.00 C ATOM 877 O GLY A 64 -11.041 4.604 -14.167 1.00 0.00 O ATOM 0 H GLY A 64 -10.474 5.400 -11.499 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -12.010 6.993 -12.404 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -10.756 7.606 -13.464 1.00 0.00 H new ATOM 881 N LYS A 65 -12.541 6.138 -14.882 1.00 0.00 N ATOM 882 CA LYS A 65 -13.051 5.302 -15.956 1.00 0.00 C ATOM 883 C LYS A 65 -13.939 4.206 -15.364 1.00 0.00 C ATOM 884 O LYS A 65 -15.133 4.145 -15.655 1.00 0.00 O ATOM 885 CB LYS A 65 -11.900 4.767 -16.810 1.00 0.00 C ATOM 886 CG LYS A 65 -12.408 4.274 -18.167 1.00 0.00 C ATOM 887 CD LYS A 65 -11.475 3.210 -18.748 1.00 0.00 C ATOM 888 CE LYS A 65 -10.778 3.723 -20.010 1.00 0.00 C ATOM 889 NZ LYS A 65 -9.946 2.656 -20.612 1.00 0.00 N ATOM 0 H LYS A 65 -12.983 7.054 -14.808 1.00 0.00 H new ATOM 0 HA LYS A 65 -13.674 5.887 -16.633 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -11.157 5.551 -16.958 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -11.402 3.951 -16.286 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -13.411 3.862 -18.056 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -12.483 5.114 -18.858 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -10.729 2.930 -18.004 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -12.044 2.311 -18.983 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -11.522 4.063 -20.731 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.155 4.583 -19.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.480 3.020 -21.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.225 2.351 -19.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.548 1.847 -20.864 1.00 0.00 H new ATOM 900 N GLY A 66 -13.323 3.366 -14.546 1.00 0.00 N ATOM 901 CA GLY A 66 -14.043 2.275 -13.911 1.00 0.00 C ATOM 902 C GLY A 66 -13.103 1.111 -13.590 1.00 0.00 C ATOM 903 O GLY A 66 -13.088 0.613 -12.466 1.00 0.00 O ATOM 0 H GLY A 66 -12.333 3.419 -14.308 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -14.514 2.630 -12.994 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -14.842 1.931 -14.568 1.00 0.00 H new ATOM 907 N VAL A 67 -12.342 0.712 -14.599 1.00 0.00 N ATOM 908 CA VAL A 67 -11.401 -0.384 -14.438 1.00 0.00 C ATOM 909 C VAL A 67 -10.737 -0.283 -13.064 1.00 0.00 C ATOM 910 O VAL A 67 -10.587 0.811 -12.522 1.00 0.00 O ATOM 911 CB VAL A 67 -10.395 -0.383 -15.591 1.00 0.00 C ATOM 912 CG1 VAL A 67 -9.536 -1.649 -15.570 1.00 0.00 C ATOM 913 CG2 VAL A 67 -11.103 -0.223 -16.937 1.00 0.00 C ATOM 0 H VAL A 67 -12.358 1.128 -15.530 1.00 0.00 H new ATOM 0 HA VAL A 67 -11.919 -1.342 -14.478 1.00 0.00 H new ATOM 0 HB VAL A 67 -9.734 0.473 -15.457 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -8.830 -1.623 -16.400 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.989 -1.702 -14.629 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -10.177 -2.525 -15.666 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -10.365 -0.226 -17.739 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -11.799 -1.049 -17.082 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -11.650 0.720 -16.951 1.00 0.00 H new ATOM 923 N LEU A 68 -10.356 -1.439 -12.540 1.00 0.00 N ATOM 924 CA LEU A 68 -9.710 -1.494 -11.239 1.00 0.00 C ATOM 925 C LEU A 68 -8.203 -1.673 -11.430 1.00 0.00 C ATOM 926 O LEU A 68 -7.751 -2.051 -12.509 1.00 0.00 O ATOM 927 CB LEU A 68 -10.353 -2.575 -10.368 1.00 0.00 C ATOM 928 CG LEU A 68 -11.841 -2.393 -10.062 1.00 0.00 C ATOM 929 CD1 LEU A 68 -12.355 -3.513 -9.155 1.00 0.00 C ATOM 930 CD2 LEU A 68 -12.114 -1.008 -9.473 1.00 0.00 C ATOM 0 H LEU A 68 -10.482 -2.344 -12.992 1.00 0.00 H new ATOM 0 HA LEU A 68 -9.854 -0.557 -10.702 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -10.219 -3.538 -10.861 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -9.811 -2.622 -9.423 1.00 0.00 H new ATOM 0 HG LEU A 68 -12.393 -2.459 -10.999 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -13.415 -3.360 -8.953 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -12.215 -4.474 -9.649 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -11.802 -3.504 -8.216 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -13.179 -0.905 -9.265 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -11.550 -0.888 -8.548 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -11.808 -0.243 -10.186 1.00 0.00 H new ATOM 942 N SER A 69 -7.467 -1.394 -10.364 1.00 0.00 N ATOM 943 CA SER A 69 -6.020 -1.520 -10.401 1.00 0.00 C ATOM 944 C SER A 69 -5.577 -2.714 -9.553 1.00 0.00 C ATOM 945 O SER A 69 -6.379 -3.594 -9.247 1.00 0.00 O ATOM 946 CB SER A 69 -5.343 -0.239 -9.908 1.00 0.00 C ATOM 947 OG SER A 69 -6.041 0.930 -10.330 1.00 0.00 O ATOM 0 H SER A 69 -7.846 -1.081 -9.470 1.00 0.00 H new ATOM 0 HA SER A 69 -5.717 -1.684 -11.435 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.287 -0.255 -8.820 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.319 -0.204 -10.280 1.00 0.00 H new ATOM 0 HG SER A 69 -5.579 1.726 -9.994 1.00 0.00 H new ATOM 953 N LYS A 70 -4.300 -2.705 -9.197 1.00 0.00 N ATOM 954 CA LYS A 70 -3.741 -3.776 -8.391 1.00 0.00 C ATOM 955 C LYS A 70 -4.329 -3.707 -6.980 1.00 0.00 C ATOM 956 O LYS A 70 -5.438 -4.182 -6.741 1.00 0.00 O ATOM 957 CB LYS A 70 -2.212 -3.729 -8.423 1.00 0.00 C ATOM 958 CG LYS A 70 -1.705 -2.290 -8.306 1.00 0.00 C ATOM 959 CD LYS A 70 -1.196 -1.777 -9.655 1.00 0.00 C ATOM 960 CE LYS A 70 -0.784 -0.307 -9.562 1.00 0.00 C ATOM 961 NZ LYS A 70 0.628 -0.138 -9.973 1.00 0.00 N ATOM 0 H LYS A 70 -3.637 -1.973 -9.452 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.016 -4.747 -8.804 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.809 -4.328 -7.606 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.850 -4.171 -9.351 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.508 -1.646 -7.947 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.904 -2.242 -7.569 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -0.346 -2.377 -9.979 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.974 -1.893 -10.409 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -1.429 0.299 -10.198 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -0.917 0.050 -8.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.892 0.866 -9.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.241 -0.701 -9.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 0.745 -0.460 -10.955 1.00 0.00 H new ATOM 972 N GLN A 71 -3.559 -3.111 -6.081 1.00 0.00 N ATOM 973 CA GLN A 71 -3.989 -2.974 -4.700 1.00 0.00 C ATOM 974 C GLN A 71 -5.442 -2.497 -4.642 1.00 0.00 C ATOM 975 O GLN A 71 -6.189 -2.878 -3.742 1.00 0.00 O ATOM 976 CB GLN A 71 -3.069 -2.024 -3.931 1.00 0.00 C ATOM 977 CG GLN A 71 -1.911 -2.786 -3.283 1.00 0.00 C ATOM 978 CD GLN A 71 -2.089 -2.867 -1.766 1.00 0.00 C ATOM 979 OE1 GLN A 71 -3.179 -3.053 -1.251 1.00 0.00 O ATOM 980 NE2 GLN A 71 -0.959 -2.718 -1.080 1.00 0.00 N ATOM 0 H GLN A 71 -2.640 -2.718 -6.282 1.00 0.00 H new ATOM 0 HA GLN A 71 -3.928 -3.952 -4.222 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.676 -1.265 -4.608 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -3.640 -1.501 -3.163 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.854 -3.791 -3.700 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.969 -2.290 -3.516 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.079 -2.565 -1.573 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -0.972 -2.757 -0.061 1.00 0.00 H new ATOM 989 N GLU A 72 -5.798 -1.669 -5.613 1.00 0.00 N ATOM 990 CA GLU A 72 -7.148 -1.135 -5.683 1.00 0.00 C ATOM 991 C GLU A 72 -8.166 -2.218 -5.319 1.00 0.00 C ATOM 992 O GLU A 72 -8.780 -2.164 -4.254 1.00 0.00 O ATOM 993 CB GLU A 72 -7.437 -0.555 -7.070 1.00 0.00 C ATOM 994 CG GLU A 72 -7.173 0.951 -7.099 1.00 0.00 C ATOM 995 CD GLU A 72 -8.287 1.688 -7.846 1.00 0.00 C ATOM 996 OE1 GLU A 72 -9.472 1.374 -7.659 1.00 0.00 O ATOM 997 OE2 GLU A 72 -7.886 2.619 -8.643 1.00 0.00 O ATOM 0 H GLU A 72 -5.176 -1.355 -6.358 1.00 0.00 H new ATOM 0 HA GLU A 72 -7.235 -0.324 -4.960 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.813 -1.052 -7.813 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -8.474 -0.752 -7.342 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -7.100 1.331 -6.080 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -6.215 1.147 -7.581 1.00 0.00 H new ATOM 1005 N PHE A 73 -8.314 -3.175 -6.223 1.00 0.00 N ATOM 1006 CA PHE A 73 -9.247 -4.268 -6.011 1.00 0.00 C ATOM 1007 C PHE A 73 -8.926 -5.019 -4.717 1.00 0.00 C ATOM 1008 O PHE A 73 -9.814 -5.270 -3.904 1.00 0.00 O ATOM 1009 CB PHE A 73 -9.092 -5.225 -7.194 1.00 0.00 C ATOM 1010 CG PHE A 73 -9.697 -6.610 -6.957 1.00 0.00 C ATOM 1011 CD1 PHE A 73 -8.984 -7.560 -6.295 1.00 0.00 C ATOM 1012 CD2 PHE A 73 -10.949 -6.892 -7.409 1.00 0.00 C ATOM 1013 CE1 PHE A 73 -9.545 -8.845 -6.076 1.00 0.00 C ATOM 1014 CE2 PHE A 73 -11.510 -8.177 -7.190 1.00 0.00 C ATOM 1015 CZ PHE A 73 -10.797 -9.127 -6.528 1.00 0.00 C ATOM 0 H PHE A 73 -7.803 -3.216 -7.105 1.00 0.00 H new ATOM 0 HA PHE A 73 -10.263 -3.880 -5.932 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -9.561 -4.780 -8.072 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -8.032 -5.337 -7.421 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -7.990 -7.336 -5.936 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -11.516 -6.138 -7.935 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -8.978 -9.599 -5.550 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -12.504 -8.401 -7.549 1.00 0.00 H new ATOM 0 HZ PHE A 73 -11.224 -10.105 -6.361 1.00 0.00 H new ATOM 1025 N PHE A 74 -7.653 -5.357 -4.567 1.00 0.00 N ATOM 1026 CA PHE A 74 -7.204 -6.074 -3.386 1.00 0.00 C ATOM 1027 C PHE A 74 -7.605 -5.334 -2.109 1.00 0.00 C ATOM 1028 O PHE A 74 -7.758 -5.947 -1.054 1.00 0.00 O ATOM 1029 CB PHE A 74 -5.677 -6.147 -3.461 1.00 0.00 C ATOM 1030 CG PHE A 74 -5.140 -7.506 -3.914 1.00 0.00 C ATOM 1031 CD1 PHE A 74 -5.384 -7.948 -5.177 1.00 0.00 C ATOM 1032 CD2 PHE A 74 -4.419 -8.273 -3.052 1.00 0.00 C ATOM 1033 CE1 PHE A 74 -4.885 -9.209 -5.596 1.00 0.00 C ATOM 1034 CE2 PHE A 74 -3.921 -9.535 -3.472 1.00 0.00 C ATOM 1035 CZ PHE A 74 -4.164 -9.976 -4.735 1.00 0.00 C ATOM 0 H PHE A 74 -6.919 -5.147 -5.244 1.00 0.00 H new ATOM 0 HA PHE A 74 -7.658 -7.064 -3.357 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.320 -5.380 -4.148 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -5.264 -5.913 -2.480 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -5.957 -7.340 -5.861 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -4.226 -7.922 -2.049 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.078 -9.560 -6.599 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -3.349 -10.145 -2.788 1.00 0.00 H new ATOM 0 HZ PHE A 74 -3.784 -10.935 -5.054 1.00 0.00 H new ATOM 1045 N VAL A 75 -7.765 -4.026 -2.247 1.00 0.00 N ATOM 1046 CA VAL A 75 -8.146 -3.196 -1.117 1.00 0.00 C ATOM 1047 C VAL A 75 -9.633 -3.397 -0.820 1.00 0.00 C ATOM 1048 O VAL A 75 -10.001 -3.793 0.285 1.00 0.00 O ATOM 1049 CB VAL A 75 -7.784 -1.735 -1.395 1.00 0.00 C ATOM 1050 CG1 VAL A 75 -8.914 -0.799 -0.962 1.00 0.00 C ATOM 1051 CG2 VAL A 75 -6.467 -1.357 -0.715 1.00 0.00 C ATOM 0 H VAL A 75 -7.638 -3.521 -3.124 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.594 -3.490 -0.224 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.649 -1.622 -2.471 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.632 0.233 -1.170 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.822 -1.045 -1.513 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -9.095 -0.917 0.106 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.233 -0.314 -0.929 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.561 -1.494 0.362 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.667 -1.993 -1.093 1.00 0.00 H new ATOM 1061 N ALA A 76 -10.448 -3.116 -1.826 1.00 0.00 N ATOM 1062 CA ALA A 76 -11.887 -3.261 -1.686 1.00 0.00 C ATOM 1063 C ALA A 76 -12.198 -4.607 -1.028 1.00 0.00 C ATOM 1064 O ALA A 76 -13.224 -4.756 -0.366 1.00 0.00 O ATOM 1065 CB ALA A 76 -12.551 -3.116 -3.057 1.00 0.00 C ATOM 0 H ALA A 76 -10.139 -2.789 -2.741 1.00 0.00 H new ATOM 0 HA ALA A 76 -12.290 -2.478 -1.044 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -13.630 -3.225 -2.952 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -12.324 -2.133 -3.469 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -12.172 -3.887 -3.728 1.00 0.00 H new ATOM 1071 N LEU A 77 -11.293 -5.553 -1.233 1.00 0.00 N ATOM 1072 CA LEU A 77 -11.458 -6.881 -0.668 1.00 0.00 C ATOM 1073 C LEU A 77 -11.444 -6.787 0.859 1.00 0.00 C ATOM 1074 O LEU A 77 -12.494 -6.847 1.498 1.00 0.00 O ATOM 1075 CB LEU A 77 -10.407 -7.838 -1.234 1.00 0.00 C ATOM 1076 CG LEU A 77 -10.919 -8.887 -2.224 1.00 0.00 C ATOM 1077 CD1 LEU A 77 -9.758 -9.556 -2.963 1.00 0.00 C ATOM 1078 CD2 LEU A 77 -11.817 -9.909 -1.524 1.00 0.00 C ATOM 0 H LEU A 77 -10.443 -5.426 -1.783 1.00 0.00 H new ATOM 0 HA LEU A 77 -12.424 -7.299 -0.953 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -9.635 -7.248 -1.728 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -9.929 -8.355 -0.402 1.00 0.00 H new ATOM 0 HG LEU A 77 -11.529 -8.381 -2.973 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -10.149 -10.297 -3.660 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.194 -8.802 -3.513 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -9.102 -10.046 -2.243 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -12.167 -10.643 -2.250 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -11.252 -10.414 -0.741 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -12.673 -9.399 -1.082 1.00 0.00 H new ATOM 1090 N ARG A 78 -10.244 -6.640 1.401 1.00 0.00 N ATOM 1091 CA ARG A 78 -10.080 -6.536 2.841 1.00 0.00 C ATOM 1092 C ARG A 78 -11.042 -5.491 3.410 1.00 0.00 C ATOM 1093 O ARG A 78 -11.597 -5.677 4.492 1.00 0.00 O ATOM 1094 CB ARG A 78 -8.645 -6.151 3.205 1.00 0.00 C ATOM 1095 CG ARG A 78 -7.677 -7.297 2.904 1.00 0.00 C ATOM 1096 CD ARG A 78 -8.197 -8.618 3.473 1.00 0.00 C ATOM 1097 NE ARG A 78 -8.987 -9.335 2.447 1.00 0.00 N ATOM 1098 CZ ARG A 78 -8.494 -9.737 1.257 1.00 0.00 C ATOM 1099 NH1 ARG A 78 -7.206 -9.497 0.932 1.00 0.00 N ATOM 1100 NH2 ARG A 78 -9.290 -10.370 0.415 1.00 0.00 N ATOM 0 H ARG A 78 -9.375 -6.590 0.868 1.00 0.00 H new ATOM 0 HA ARG A 78 -10.302 -7.512 3.272 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -8.349 -5.264 2.645 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.591 -5.893 4.263 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -7.541 -7.390 1.826 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.699 -7.073 3.330 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.361 -9.237 3.799 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -8.814 -8.427 4.351 1.00 0.00 H new ATOM 0 HE ARG A 78 -9.965 -9.538 2.652 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -6.597 -9.008 1.588 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -6.842 -9.804 0.030 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -10.262 -10.548 0.668 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -8.933 -10.681 -0.489 1.00 0.00 H new ATOM 1113 N LEU A 79 -11.209 -4.414 2.657 1.00 0.00 N ATOM 1114 CA LEU A 79 -12.094 -3.339 3.073 1.00 0.00 C ATOM 1115 C LEU A 79 -13.417 -3.933 3.560 1.00 0.00 C ATOM 1116 O LEU A 79 -13.884 -3.607 4.650 1.00 0.00 O ATOM 1117 CB LEU A 79 -12.257 -2.314 1.949 1.00 0.00 C ATOM 1118 CG LEU A 79 -12.337 -0.849 2.384 1.00 0.00 C ATOM 1119 CD1 LEU A 79 -11.933 0.085 1.242 1.00 0.00 C ATOM 1120 CD2 LEU A 79 -13.726 -0.516 2.933 1.00 0.00 C ATOM 0 H LEU A 79 -10.746 -4.262 1.761 1.00 0.00 H new ATOM 0 HA LEU A 79 -11.662 -2.793 3.911 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -11.419 -2.423 1.261 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -13.161 -2.557 1.391 1.00 0.00 H new ATOM 0 HG LEU A 79 -11.624 -0.693 3.194 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -11.999 1.120 1.578 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -10.909 -0.134 0.938 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -12.603 -0.065 0.395 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -13.756 0.531 3.235 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -14.474 -0.693 2.161 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -13.938 -1.149 3.795 1.00 0.00 H new ATOM 1132 N VAL A 80 -13.983 -4.795 2.729 1.00 0.00 N ATOM 1133 CA VAL A 80 -15.244 -5.438 3.061 1.00 0.00 C ATOM 1134 C VAL A 80 -15.065 -6.277 4.328 1.00 0.00 C ATOM 1135 O VAL A 80 -15.896 -6.227 5.232 1.00 0.00 O ATOM 1136 CB VAL A 80 -15.745 -6.255 1.868 1.00 0.00 C ATOM 1137 CG1 VAL A 80 -16.767 -7.303 2.313 1.00 0.00 C ATOM 1138 CG2 VAL A 80 -16.328 -5.344 0.786 1.00 0.00 C ATOM 0 H VAL A 80 -13.592 -5.064 1.826 1.00 0.00 H new ATOM 0 HA VAL A 80 -16.010 -4.692 3.271 1.00 0.00 H new ATOM 0 HB VAL A 80 -14.892 -6.780 1.439 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -17.107 -7.870 1.447 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -16.305 -7.980 3.031 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -17.618 -6.806 2.779 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -16.677 -5.950 -0.050 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -17.164 -4.779 1.198 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -15.559 -4.654 0.439 1.00 0.00 H new ATOM 1148 N ALA A 81 -13.974 -7.029 4.351 1.00 0.00 N ATOM 1149 CA ALA A 81 -13.675 -7.878 5.492 1.00 0.00 C ATOM 1150 C ALA A 81 -13.636 -7.025 6.761 1.00 0.00 C ATOM 1151 O ALA A 81 -13.892 -7.522 7.857 1.00 0.00 O ATOM 1152 CB ALA A 81 -12.360 -8.620 5.247 1.00 0.00 C ATOM 0 H ALA A 81 -13.287 -7.068 3.598 1.00 0.00 H new ATOM 0 HA ALA A 81 -14.453 -8.630 5.624 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -12.136 -9.256 6.103 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -12.451 -9.235 4.352 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -11.555 -7.898 5.111 1.00 0.00 H new ATOM 1158 N CYS A 82 -13.312 -5.754 6.571 1.00 0.00 N ATOM 1159 CA CYS A 82 -13.235 -4.826 7.687 1.00 0.00 C ATOM 1160 C CYS A 82 -14.660 -4.482 8.125 1.00 0.00 C ATOM 1161 O CYS A 82 -15.059 -4.786 9.248 1.00 0.00 O ATOM 1162 CB CYS A 82 -12.431 -3.575 7.329 1.00 0.00 C ATOM 1163 SG CYS A 82 -11.706 -2.843 8.841 1.00 0.00 S ATOM 0 H CYS A 82 -13.100 -5.345 5.661 1.00 0.00 H new ATOM 0 HA CYS A 82 -12.704 -5.294 8.516 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -11.640 -3.830 6.624 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -13.075 -2.847 6.836 1.00 0.00 H new ATOM 0 HG CYS A 82 -11.787 -1.547 8.778 1.00 0.00 H new ATOM 1169 N ALA A 83 -15.389 -3.853 7.214 1.00 0.00 N ATOM 1170 CA ALA A 83 -16.761 -3.465 7.492 1.00 0.00 C ATOM 1171 C ALA A 83 -17.585 -4.713 7.815 1.00 0.00 C ATOM 1172 O ALA A 83 -18.662 -4.616 8.401 1.00 0.00 O ATOM 1173 CB ALA A 83 -17.324 -2.688 6.300 1.00 0.00 C ATOM 0 H ALA A 83 -15.055 -3.603 6.283 1.00 0.00 H new ATOM 0 HA ALA A 83 -16.804 -2.807 8.360 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -18.353 -2.397 6.509 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -16.722 -1.795 6.130 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -17.298 -3.317 5.410 1.00 0.00 H new ATOM 1179 N GLN A 84 -17.047 -5.857 7.418 1.00 0.00 N ATOM 1180 CA GLN A 84 -17.719 -7.123 7.659 1.00 0.00 C ATOM 1181 C GLN A 84 -17.909 -7.346 9.160 1.00 0.00 C ATOM 1182 O GLN A 84 -18.672 -8.220 9.570 1.00 0.00 O ATOM 1183 CB GLN A 84 -16.946 -8.282 7.026 1.00 0.00 C ATOM 1184 CG GLN A 84 -17.269 -8.407 5.535 1.00 0.00 C ATOM 1185 CD GLN A 84 -18.024 -9.706 5.245 1.00 0.00 C ATOM 1186 OE1 GLN A 84 -18.212 -10.550 6.105 1.00 0.00 O ATOM 1187 NE2 GLN A 84 -18.445 -9.818 3.988 1.00 0.00 N ATOM 0 H GLN A 84 -16.154 -5.934 6.931 1.00 0.00 H new ATOM 0 HA GLN A 84 -18.702 -7.085 7.190 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -15.875 -8.125 7.158 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -17.197 -9.212 7.535 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -17.869 -7.555 5.216 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -16.346 -8.381 4.956 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -18.254 -9.073 3.318 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -18.959 -10.649 3.694 1.00 0.00 H new ATOM 1196 N ASN A 85 -17.203 -6.541 9.940 1.00 0.00 N ATOM 1197 CA ASN A 85 -17.285 -6.639 11.387 1.00 0.00 C ATOM 1198 C ASN A 85 -18.222 -5.551 11.916 1.00 0.00 C ATOM 1199 O ASN A 85 -18.593 -5.563 13.089 1.00 0.00 O ATOM 1200 CB ASN A 85 -15.913 -6.436 12.032 1.00 0.00 C ATOM 1201 CG ASN A 85 -15.763 -7.299 13.286 1.00 0.00 C ATOM 1202 OD1 ASN A 85 -16.654 -8.037 13.674 1.00 0.00 O ATOM 1203 ND2 ASN A 85 -14.589 -7.166 13.897 1.00 0.00 N ATOM 0 H ASN A 85 -16.571 -5.818 9.597 1.00 0.00 H new ATOM 0 HA ASN A 85 -17.657 -7.633 11.636 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -15.130 -6.689 11.317 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -15.781 -5.386 12.291 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -14.391 -7.700 14.743 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -13.887 -6.530 13.519 1.00 0.00 H new ATOM 1210 N GLY A 86 -18.577 -4.637 11.026 1.00 0.00 N ATOM 1211 CA GLY A 86 -19.464 -3.544 11.388 1.00 0.00 C ATOM 1212 C GLY A 86 -18.679 -2.246 11.588 1.00 0.00 C ATOM 1213 O GLY A 86 -19.248 -1.226 11.975 1.00 0.00 O ATOM 0 H GLY A 86 -18.267 -4.630 10.054 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -20.212 -3.404 10.608 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -20.000 -3.794 12.303 1.00 0.00 H new ATOM 1217 N LEU A 87 -17.385 -2.326 11.316 1.00 0.00 N ATOM 1218 CA LEU A 87 -16.517 -1.170 11.462 1.00 0.00 C ATOM 1219 C LEU A 87 -16.712 -0.237 10.265 1.00 0.00 C ATOM 1220 O LEU A 87 -17.429 -0.571 9.323 1.00 0.00 O ATOM 1221 CB LEU A 87 -15.067 -1.611 11.668 1.00 0.00 C ATOM 1222 CG LEU A 87 -14.847 -2.743 12.674 1.00 0.00 C ATOM 1223 CD1 LEU A 87 -13.800 -3.735 12.164 1.00 0.00 C ATOM 1224 CD2 LEU A 87 -14.485 -2.188 14.053 1.00 0.00 C ATOM 0 H LEU A 87 -16.917 -3.173 10.995 1.00 0.00 H new ATOM 0 HA LEU A 87 -16.783 -0.604 12.355 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -14.663 -1.924 10.705 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -14.487 -0.746 11.991 1.00 0.00 H new ATOM 0 HG LEU A 87 -15.784 -3.290 12.782 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -13.663 -4.529 12.898 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -14.136 -4.166 11.221 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -12.853 -3.217 12.009 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -14.334 -3.013 14.749 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -13.569 -1.602 13.980 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -15.294 -1.553 14.413 1.00 0.00 H new ATOM 1236 N GLU A 88 -16.060 0.914 10.340 1.00 0.00 N ATOM 1237 CA GLU A 88 -16.152 1.897 9.274 1.00 0.00 C ATOM 1238 C GLU A 88 -16.036 1.214 7.910 1.00 0.00 C ATOM 1239 O GLU A 88 -15.649 0.049 7.826 1.00 0.00 O ATOM 1240 CB GLU A 88 -15.087 2.983 9.436 1.00 0.00 C ATOM 1241 CG GLU A 88 -15.613 4.342 8.969 1.00 0.00 C ATOM 1242 CD GLU A 88 -15.455 5.397 10.066 1.00 0.00 C ATOM 1243 OE1 GLU A 88 -14.734 6.388 9.873 1.00 0.00 O ATOM 1244 OE2 GLU A 88 -16.114 5.162 11.149 1.00 0.00 O ATOM 0 H GLU A 88 -15.466 1.188 11.123 1.00 0.00 H new ATOM 0 HA GLU A 88 -17.128 2.379 9.335 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -14.783 3.046 10.481 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -14.200 2.716 8.862 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -15.074 4.657 8.076 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -16.664 4.254 8.693 1.00 0.00 H new ATOM 1252 N VAL A 89 -16.377 1.968 6.875 1.00 0.00 N ATOM 1253 CA VAL A 89 -16.316 1.449 5.519 1.00 0.00 C ATOM 1254 C VAL A 89 -15.257 2.222 4.730 1.00 0.00 C ATOM 1255 O VAL A 89 -14.901 1.834 3.618 1.00 0.00 O ATOM 1256 CB VAL A 89 -17.702 1.506 4.874 1.00 0.00 C ATOM 1257 CG1 VAL A 89 -17.695 0.834 3.500 1.00 0.00 C ATOM 1258 CG2 VAL A 89 -18.757 0.878 5.787 1.00 0.00 C ATOM 0 H VAL A 89 -16.696 2.934 6.948 1.00 0.00 H new ATOM 0 HA VAL A 89 -16.018 0.401 5.524 1.00 0.00 H new ATOM 0 HB VAL A 89 -17.963 2.555 4.732 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -18.692 0.888 3.063 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -16.985 1.345 2.849 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -17.402 -0.210 3.607 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -19.733 0.931 5.305 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -18.501 -0.165 5.975 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -18.789 1.420 6.732 1.00 0.00 H new ATOM 1268 N SER A 90 -14.783 3.301 5.336 1.00 0.00 N ATOM 1269 CA SER A 90 -13.772 4.131 4.704 1.00 0.00 C ATOM 1270 C SER A 90 -12.379 3.709 5.175 1.00 0.00 C ATOM 1271 O SER A 90 -12.229 3.155 6.263 1.00 0.00 O ATOM 1272 CB SER A 90 -14.009 5.612 5.005 1.00 0.00 C ATOM 1273 OG SER A 90 -13.994 6.407 3.823 1.00 0.00 O ATOM 0 H SER A 90 -15.081 3.619 6.258 1.00 0.00 H new ATOM 0 HA SER A 90 -13.841 3.992 3.625 1.00 0.00 H new ATOM 0 HB2 SER A 90 -14.968 5.730 5.509 1.00 0.00 H new ATOM 0 HB3 SER A 90 -13.242 5.969 5.692 1.00 0.00 H new ATOM 0 HG SER A 90 -14.151 7.345 4.058 1.00 0.00 H new ATOM 1279 N LEU A 91 -11.395 3.988 4.333 1.00 0.00 N ATOM 1280 CA LEU A 91 -10.019 3.644 4.649 1.00 0.00 C ATOM 1281 C LEU A 91 -9.557 4.468 5.853 1.00 0.00 C ATOM 1282 O LEU A 91 -8.647 4.061 6.575 1.00 0.00 O ATOM 1283 CB LEU A 91 -9.129 3.806 3.415 1.00 0.00 C ATOM 1284 CG LEU A 91 -8.948 2.556 2.551 1.00 0.00 C ATOM 1285 CD1 LEU A 91 -8.397 2.919 1.171 1.00 0.00 C ATOM 1286 CD2 LEU A 91 -8.074 1.520 3.262 1.00 0.00 C ATOM 0 H LEU A 91 -11.523 4.449 3.432 1.00 0.00 H new ATOM 0 HA LEU A 91 -9.943 2.594 4.932 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.546 4.597 2.792 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.145 4.143 3.742 1.00 0.00 H new ATOM 0 HG LEU A 91 -9.927 2.102 2.398 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -8.278 2.013 0.577 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -9.090 3.594 0.668 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.430 3.409 1.283 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -7.961 0.642 2.627 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -7.093 1.949 3.465 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -8.545 1.230 4.201 1.00 0.00 H new ATOM 1298 N SER A 92 -10.204 5.610 6.032 1.00 0.00 N ATOM 1299 CA SER A 92 -9.870 6.494 7.136 1.00 0.00 C ATOM 1300 C SER A 92 -9.987 5.741 8.463 1.00 0.00 C ATOM 1301 O SER A 92 -9.452 6.181 9.480 1.00 0.00 O ATOM 1302 CB SER A 92 -10.773 7.729 7.145 1.00 0.00 C ATOM 1303 OG SER A 92 -10.137 8.850 7.753 1.00 0.00 O ATOM 0 H SER A 92 -10.958 5.944 5.431 1.00 0.00 H new ATOM 0 HA SER A 92 -8.841 6.830 7.006 1.00 0.00 H new ATOM 0 HB2 SER A 92 -11.053 7.981 6.122 1.00 0.00 H new ATOM 0 HB3 SER A 92 -11.695 7.501 7.680 1.00 0.00 H new ATOM 0 HG SER A 92 -10.745 9.619 7.738 1.00 0.00 H new ATOM 1309 N SER A 93 -10.690 4.620 8.410 1.00 0.00 N ATOM 1310 CA SER A 93 -10.885 3.802 9.595 1.00 0.00 C ATOM 1311 C SER A 93 -10.402 2.374 9.331 1.00 0.00 C ATOM 1312 O SER A 93 -10.932 1.421 9.900 1.00 0.00 O ATOM 1313 CB SER A 93 -12.353 3.795 10.025 1.00 0.00 C ATOM 1314 OG SER A 93 -12.558 4.519 11.235 1.00 0.00 O ATOM 0 H SER A 93 -11.132 4.258 7.565 1.00 0.00 H new ATOM 0 HA SER A 93 -10.299 4.232 10.407 1.00 0.00 H new ATOM 0 HB2 SER A 93 -12.964 4.230 9.234 1.00 0.00 H new ATOM 0 HB3 SER A 93 -12.687 2.766 10.157 1.00 0.00 H new ATOM 0 HG SER A 93 -13.315 4.132 11.723 1.00 0.00 H new ATOM 1320 N LEU A 94 -9.403 2.272 8.467 1.00 0.00 N ATOM 1321 CA LEU A 94 -8.843 0.976 8.120 1.00 0.00 C ATOM 1322 C LEU A 94 -7.524 0.778 8.869 1.00 0.00 C ATOM 1323 O LEU A 94 -7.137 1.615 9.683 1.00 0.00 O ATOM 1324 CB LEU A 94 -8.716 0.837 6.602 1.00 0.00 C ATOM 1325 CG LEU A 94 -9.848 0.085 5.900 1.00 0.00 C ATOM 1326 CD1 LEU A 94 -9.850 -1.393 6.292 1.00 0.00 C ATOM 1327 CD2 LEU A 94 -11.198 0.752 6.169 1.00 0.00 C ATOM 0 H LEU A 94 -8.967 3.065 7.997 1.00 0.00 H new ATOM 0 HA LEU A 94 -9.512 0.175 8.435 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -8.647 1.835 6.170 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.777 0.329 6.381 1.00 0.00 H new ATOM 0 HG LEU A 94 -9.674 0.132 4.825 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -10.665 -1.904 5.779 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -8.900 -1.846 6.007 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -9.986 -1.483 7.370 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -11.986 0.198 5.659 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -11.394 0.757 7.241 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -11.177 1.777 5.799 1.00 0.00 H new ATOM 1339 N SER A 95 -6.870 -0.334 8.567 1.00 0.00 N ATOM 1340 CA SER A 95 -5.602 -0.652 9.202 1.00 0.00 C ATOM 1341 C SER A 95 -5.835 -1.076 10.653 1.00 0.00 C ATOM 1342 O SER A 95 -5.016 -0.791 11.526 1.00 0.00 O ATOM 1343 CB SER A 95 -4.643 0.539 9.144 1.00 0.00 C ATOM 1344 OG SER A 95 -4.799 1.405 10.265 1.00 0.00 O ATOM 0 H SER A 95 -7.194 -1.026 7.891 1.00 0.00 H new ATOM 0 HA SER A 95 -5.145 -1.479 8.658 1.00 0.00 H new ATOM 0 HB2 SER A 95 -3.616 0.176 9.106 1.00 0.00 H new ATOM 0 HB3 SER A 95 -4.817 1.100 8.226 1.00 0.00 H new ATOM 0 HG SER A 95 -5.656 1.875 10.198 1.00 0.00 H new ATOM 1350 N LEU A 96 -6.956 -1.749 10.867 1.00 0.00 N ATOM 1351 CA LEU A 96 -7.308 -2.214 12.198 1.00 0.00 C ATOM 1352 C LEU A 96 -7.358 -3.743 12.202 1.00 0.00 C ATOM 1353 O LEU A 96 -6.782 -4.389 11.328 1.00 0.00 O ATOM 1354 CB LEU A 96 -8.604 -1.555 12.671 1.00 0.00 C ATOM 1355 CG LEU A 96 -8.842 -0.121 12.192 1.00 0.00 C ATOM 1356 CD1 LEU A 96 -10.303 0.287 12.388 1.00 0.00 C ATOM 1357 CD2 LEU A 96 -7.878 0.852 12.873 1.00 0.00 C ATOM 0 H LEU A 96 -7.633 -1.984 10.141 1.00 0.00 H new ATOM 0 HA LEU A 96 -6.546 -1.917 12.919 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -9.442 -2.170 12.343 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -8.613 -1.559 13.761 1.00 0.00 H new ATOM 0 HG LEU A 96 -8.637 -0.080 11.122 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -10.445 1.310 12.040 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -10.947 -0.383 11.819 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -10.559 0.225 13.446 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -8.069 1.864 12.515 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -8.026 0.815 13.952 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -6.851 0.571 12.638 1.00 0.00 H new ATOM 1369 N ALA A 97 -8.053 -4.278 13.195 1.00 0.00 N ATOM 1370 CA ALA A 97 -8.186 -5.719 13.324 1.00 0.00 C ATOM 1371 C ALA A 97 -9.248 -6.219 12.343 1.00 0.00 C ATOM 1372 O ALA A 97 -10.211 -6.871 12.743 1.00 0.00 O ATOM 1373 CB ALA A 97 -8.521 -6.073 14.775 1.00 0.00 C ATOM 0 H ALA A 97 -8.530 -3.739 13.918 1.00 0.00 H new ATOM 0 HA ALA A 97 -7.248 -6.214 13.075 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -8.621 -7.154 14.872 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -7.722 -5.722 15.429 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -9.459 -5.595 15.059 1.00 0.00 H new ATOM 1379 N VAL A 98 -9.036 -5.894 11.076 1.00 0.00 N ATOM 1380 CA VAL A 98 -9.963 -6.301 10.033 1.00 0.00 C ATOM 1381 C VAL A 98 -10.088 -7.826 10.036 1.00 0.00 C ATOM 1382 O VAL A 98 -9.105 -8.534 9.822 1.00 0.00 O ATOM 1383 CB VAL A 98 -9.512 -5.741 8.683 1.00 0.00 C ATOM 1384 CG1 VAL A 98 -7.996 -5.865 8.517 1.00 0.00 C ATOM 1385 CG2 VAL A 98 -10.248 -6.427 7.531 1.00 0.00 C ATOM 0 H VAL A 98 -8.236 -5.353 10.748 1.00 0.00 H new ATOM 0 HA VAL A 98 -10.955 -5.892 10.223 1.00 0.00 H new ATOM 0 HB VAL A 98 -9.766 -4.681 8.658 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -7.702 -5.460 7.549 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -7.496 -5.309 9.310 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -7.708 -6.915 8.573 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -9.909 -6.010 6.583 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -10.040 -7.497 7.552 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -11.321 -6.264 7.636 1.00 0.00 H new ATOM 1395 N PRO A 99 -11.338 -8.300 10.287 1.00 0.00 N ATOM 1396 CA PRO A 99 -11.604 -9.728 10.320 1.00 0.00 C ATOM 1397 C PRO A 99 -11.629 -10.314 8.907 1.00 0.00 C ATOM 1398 O PRO A 99 -11.519 -9.582 7.925 1.00 0.00 O ATOM 1399 CB PRO A 99 -12.935 -9.863 11.042 1.00 0.00 C ATOM 1400 CG PRO A 99 -13.587 -8.492 10.975 1.00 0.00 C ATOM 1401 CD PRO A 99 -12.526 -7.492 10.545 1.00 0.00 C ATOM 0 HA PRO A 99 -10.826 -10.289 10.838 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -13.562 -10.617 10.567 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -12.788 -10.176 12.076 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -14.416 -8.498 10.267 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -13.999 -8.217 11.946 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -12.835 -6.946 9.654 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -12.340 -6.752 11.324 1.00 0.00 H new ATOM 1409 N PRO A 100 -11.776 -11.665 8.848 1.00 0.00 N ATOM 1410 CA PRO A 100 -11.817 -12.358 7.571 1.00 0.00 C ATOM 1411 C PRO A 100 -13.162 -12.145 6.874 1.00 0.00 C ATOM 1412 O PRO A 100 -14.209 -12.170 7.518 1.00 0.00 O ATOM 1413 CB PRO A 100 -11.545 -13.815 7.906 1.00 0.00 C ATOM 1414 CG PRO A 100 -11.824 -13.960 9.394 1.00 0.00 C ATOM 1415 CD PRO A 100 -11.909 -12.565 9.990 1.00 0.00 C ATOM 0 HA PRO A 100 -11.078 -11.981 6.864 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -12.186 -14.476 7.322 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -10.514 -14.083 7.674 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -12.756 -14.502 9.557 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -11.033 -14.534 9.877 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -12.857 -12.412 10.506 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -11.117 -12.398 10.720 1.00 0.00 H new ATOM 1423 N PRO A 101 -13.087 -11.936 5.532 1.00 0.00 N ATOM 1424 CA PRO A 101 -14.286 -11.719 4.741 1.00 0.00 C ATOM 1425 C PRO A 101 -15.047 -13.029 4.529 1.00 0.00 C ATOM 1426 O PRO A 101 -14.799 -14.015 5.222 1.00 0.00 O ATOM 1427 CB PRO A 101 -13.793 -11.102 3.442 1.00 0.00 C ATOM 1428 CG PRO A 101 -12.309 -11.423 3.364 1.00 0.00 C ATOM 1429 CD PRO A 101 -11.863 -11.901 4.736 1.00 0.00 C ATOM 0 HA PRO A 101 -15.002 -11.061 5.233 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -14.327 -11.515 2.586 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -13.961 -10.025 3.433 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -12.124 -12.191 2.613 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -11.743 -10.541 3.064 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -11.398 -12.885 4.681 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -11.127 -11.225 5.171 1.00 0.00 H new ATOM 1437 N ARG A 102 -15.959 -12.998 3.568 1.00 0.00 N ATOM 1438 CA ARG A 102 -16.758 -14.171 3.256 1.00 0.00 C ATOM 1439 C ARG A 102 -16.192 -14.888 2.028 1.00 0.00 C ATOM 1440 O ARG A 102 -16.312 -16.106 1.906 1.00 0.00 O ATOM 1441 CB ARG A 102 -18.215 -13.789 2.989 1.00 0.00 C ATOM 1442 CG ARG A 102 -19.172 -14.816 3.598 1.00 0.00 C ATOM 1443 CD ARG A 102 -19.893 -15.609 2.505 1.00 0.00 C ATOM 1444 NE ARG A 102 -20.175 -16.982 2.979 1.00 0.00 N ATOM 1445 CZ ARG A 102 -20.569 -17.993 2.176 1.00 0.00 C ATOM 1446 NH1 ARG A 102 -20.731 -17.793 0.851 1.00 0.00 N ATOM 1447 NH2 ARG A 102 -20.794 -19.181 2.707 1.00 0.00 N ATOM 0 H ARG A 102 -16.162 -12.179 2.995 1.00 0.00 H new ATOM 0 HA ARG A 102 -16.721 -14.837 4.118 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -18.419 -12.804 3.408 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -18.386 -13.720 1.915 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -18.617 -15.499 4.242 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -19.904 -14.309 4.227 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -20.824 -15.110 2.236 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -19.279 -15.645 1.605 1.00 0.00 H new ATOM 0 HE ARG A 102 -20.065 -17.177 3.974 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -20.555 -16.872 0.449 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -21.029 -18.563 0.252 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -20.670 -19.323 3.709 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -21.092 -19.956 2.115 1.00 0.00 H new ATOM 1460 N PHE A 103 -15.588 -14.101 1.150 1.00 0.00 N ATOM 1461 CA PHE A 103 -15.004 -14.645 -0.064 1.00 0.00 C ATOM 1462 C PHE A 103 -14.334 -15.994 0.207 1.00 0.00 C ATOM 1463 O PHE A 103 -14.030 -16.321 1.353 1.00 0.00 O ATOM 1464 CB PHE A 103 -13.944 -13.648 -0.537 1.00 0.00 C ATOM 1465 CG PHE A 103 -14.421 -12.195 -0.554 1.00 0.00 C ATOM 1466 CD1 PHE A 103 -15.391 -11.808 -1.426 1.00 0.00 C ATOM 1467 CD2 PHE A 103 -13.875 -11.289 0.301 1.00 0.00 C ATOM 1468 CE1 PHE A 103 -15.834 -10.459 -1.442 1.00 0.00 C ATOM 1469 CE2 PHE A 103 -14.318 -9.940 0.284 1.00 0.00 C ATOM 1470 CZ PHE A 103 -15.288 -9.554 -0.587 1.00 0.00 C ATOM 0 H PHE A 103 -15.490 -13.091 1.255 1.00 0.00 H new ATOM 0 HA PHE A 103 -15.780 -14.799 -0.814 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -13.072 -13.726 0.112 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -13.621 -13.925 -1.540 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -15.824 -12.527 -2.106 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -13.104 -11.596 0.993 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -16.605 -10.152 -2.133 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -13.884 -9.221 0.963 1.00 0.00 H new ATOM 0 HZ PHE A 103 -15.625 -8.528 -0.600 1.00 0.00 H new ATOM 1480 N HIS A 104 -14.122 -16.740 -0.868 1.00 0.00 N ATOM 1481 CA HIS A 104 -13.494 -18.046 -0.760 1.00 0.00 C ATOM 1482 C HIS A 104 -12.016 -17.876 -0.401 1.00 0.00 C ATOM 1483 O HIS A 104 -11.509 -16.756 -0.358 1.00 0.00 O ATOM 1484 CB HIS A 104 -13.703 -18.857 -2.040 1.00 0.00 C ATOM 1485 CG HIS A 104 -14.832 -19.856 -1.956 1.00 0.00 C ATOM 1486 ND1 HIS A 104 -14.868 -20.869 -1.014 1.00 0.00 N ATOM 1487 CD2 HIS A 104 -15.965 -19.986 -2.706 1.00 0.00 C ATOM 1488 CE1 HIS A 104 -15.976 -21.572 -1.198 1.00 0.00 C ATOM 1489 NE2 HIS A 104 -16.654 -21.023 -2.247 1.00 0.00 N ATOM 0 H HIS A 104 -14.374 -16.465 -1.817 1.00 0.00 H new ATOM 0 HA HIS A 104 -13.965 -18.615 0.042 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -13.899 -18.171 -2.865 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -12.780 -19.386 -2.278 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -16.252 -19.353 -3.532 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -16.288 -22.429 -0.619 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -17.544 -21.355 -2.618 1.00 0.00 H new ATOM 1497 N ASP A 105 -11.367 -19.004 -0.153 1.00 0.00 N ATOM 1498 CA ASP A 105 -9.958 -18.994 0.201 1.00 0.00 C ATOM 1499 C ASP A 105 -9.434 -20.431 0.232 1.00 0.00 C ATOM 1500 O ASP A 105 -9.844 -21.262 -0.577 1.00 0.00 O ATOM 1501 CB ASP A 105 -9.742 -18.383 1.587 1.00 0.00 C ATOM 1502 CG ASP A 105 -8.760 -17.211 1.631 1.00 0.00 C ATOM 1503 OD1 ASP A 105 -8.794 -16.316 0.773 1.00 0.00 O ATOM 1504 OD2 ASP A 105 -7.921 -17.239 2.611 1.00 0.00 O ATOM 0 H ASP A 105 -11.791 -19.931 -0.190 1.00 0.00 H new ATOM 0 HA ASP A 105 -9.428 -18.398 -0.542 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -10.704 -18.046 1.973 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -9.384 -19.163 2.259 1.00 0.00 H new