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 Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.336 K(o=-0.34,f=-3!) USER MOD Single : A 13 SER OG : rot 46:sc= 0.473 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -5.36! C(o=-5.4!,f=-13!) USER MOD Single : A 19 TYR OH : rot -146:sc= -5.74! USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= -2.47! USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN : amide:sc= -0.0013 X(o=-0.0013,f=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.0543 USER MOD Single : A 44 LYS NZ :NH3+ -163:sc= 0.765 (180deg=0.503) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -80:sc= 1.21! USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot -1:sc= 0.946 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= -0.338 K(o=-0.34,f=-3.1!) USER MOD Single : A 82 CYS SG : rot 170:sc= -5.22! USER MOD Single : A 84 GLN : amide:sc= -0.101 K(o=-0.1,f=-0.92) USER MOD Single : A 85 ASN : amide:sc= -2.37! C(o=-2.4!,f=-3!) 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 -80:sc=-0.00252 USER MOD Single : A 95 SER OG : rot -54:sc= 1.14 USER MOD Single : A 104 HIS : no HD1:sc= -2.16 X(o=-2.2,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 31 N LEU A 9 0.550 -4.530 -3.963 1.00 0.00 N ATOM 32 CA LEU A 9 -0.338 -5.546 -3.423 1.00 0.00 C ATOM 33 C LEU A 9 0.326 -6.207 -2.214 1.00 0.00 C ATOM 34 O LEU A 9 -0.350 -6.577 -1.255 1.00 0.00 O ATOM 35 CB LEU A 9 -0.747 -6.535 -4.517 1.00 0.00 C ATOM 36 CG LEU A 9 -1.447 -5.933 -5.737 1.00 0.00 C ATOM 37 CD1 LEU A 9 -2.171 -7.014 -6.542 1.00 0.00 C ATOM 38 CD2 LEU A 9 -2.386 -4.797 -5.327 1.00 0.00 C ATOM 0 HA LEU A 9 -1.265 -5.094 -3.070 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.146 -7.060 -4.857 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.407 -7.282 -4.076 1.00 0.00 H new ATOM 0 HG LEU A 9 -0.687 -5.501 -6.388 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.660 -6.560 -7.404 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.450 -7.757 -6.884 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.919 -7.497 -5.913 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.870 -4.387 -6.213 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.144 -5.180 -4.644 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.814 -4.013 -4.831 1.00 0.00 H new ATOM 50 N THR A 10 1.642 -6.335 -2.298 1.00 0.00 N ATOM 51 CA THR A 10 2.405 -6.944 -1.222 1.00 0.00 C ATOM 52 C THR A 10 1.997 -6.347 0.126 1.00 0.00 C ATOM 53 O THR A 10 1.347 -7.010 0.933 1.00 0.00 O ATOM 54 CB THR A 10 3.892 -6.771 -1.539 1.00 0.00 C ATOM 55 OG1 THR A 10 4.149 -7.749 -2.542 1.00 0.00 O ATOM 56 CG2 THR A 10 4.791 -7.187 -0.373 1.00 0.00 C ATOM 0 H THR A 10 2.199 -6.027 -3.095 1.00 0.00 H new ATOM 0 HA THR A 10 2.197 -8.011 -1.145 1.00 0.00 H new ATOM 0 HB THR A 10 4.090 -5.730 -1.796 1.00 0.00 H new ATOM 0 HG1 THR A 10 5.091 -7.705 -2.808 1.00 0.00 H new ATOM 0 HG21 THR A 10 5.836 -7.045 -0.650 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.561 -6.576 0.500 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.618 -8.237 -0.137 1.00 0.00 H new ATOM 64 N GLN A 11 2.396 -5.100 0.329 1.00 0.00 N ATOM 65 CA GLN A 11 2.080 -4.405 1.566 1.00 0.00 C ATOM 66 C GLN A 11 0.565 -4.327 1.759 1.00 0.00 C ATOM 67 O GLN A 11 0.076 -4.360 2.887 1.00 0.00 O ATOM 68 CB GLN A 11 2.708 -3.010 1.587 1.00 0.00 C ATOM 69 CG GLN A 11 3.832 -2.930 2.621 1.00 0.00 C ATOM 70 CD GLN A 11 3.405 -2.099 3.833 1.00 0.00 C ATOM 71 OE1 GLN A 11 2.370 -1.452 3.841 1.00 0.00 O ATOM 72 NE2 GLN A 11 4.256 -2.153 4.854 1.00 0.00 N ATOM 0 H GLN A 11 2.935 -4.553 -0.342 1.00 0.00 H new ATOM 0 HA GLN A 11 2.504 -4.971 2.396 1.00 0.00 H new ATOM 0 HB2 GLN A 11 3.100 -2.769 0.599 1.00 0.00 H new ATOM 0 HB3 GLN A 11 1.944 -2.267 1.817 1.00 0.00 H new ATOM 0 HG2 GLN A 11 4.107 -3.934 2.943 1.00 0.00 H new ATOM 0 HG3 GLN A 11 4.718 -2.487 2.166 1.00 0.00 H new ATOM 0 HE21 GLN A 11 5.105 -2.714 4.781 1.00 0.00 H new ATOM 0 HE22 GLN A 11 4.060 -1.633 5.709 1.00 0.00 H new ATOM 81 N LEU A 12 -0.138 -4.225 0.640 1.00 0.00 N ATOM 82 CA LEU A 12 -1.588 -4.142 0.672 1.00 0.00 C ATOM 83 C LEU A 12 -2.134 -5.197 1.636 1.00 0.00 C ATOM 84 O LEU A 12 -3.047 -4.920 2.413 1.00 0.00 O ATOM 85 CB LEU A 12 -2.162 -4.247 -0.743 1.00 0.00 C ATOM 86 CG LEU A 12 -3.569 -3.679 -0.940 1.00 0.00 C ATOM 87 CD1 LEU A 12 -4.609 -4.523 -0.201 1.00 0.00 C ATOM 88 CD2 LEU A 12 -3.628 -2.206 -0.528 1.00 0.00 C ATOM 0 H LEU A 12 0.270 -4.198 -0.294 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.905 -3.170 1.049 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.486 -3.734 -1.427 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.172 -5.298 -1.033 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.811 -3.726 -2.002 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.600 -4.098 -0.357 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.588 -5.544 -0.583 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.381 -4.530 0.865 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.639 -1.826 -0.678 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.357 -2.111 0.523 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.930 -1.630 -1.136 1.00 0.00 H new ATOM 100 N SER A 13 -1.552 -6.384 1.556 1.00 0.00 N ATOM 101 CA SER A 13 -1.968 -7.482 2.412 1.00 0.00 C ATOM 102 C SER A 13 -0.949 -8.621 2.336 1.00 0.00 C ATOM 103 O SER A 13 -1.285 -9.732 1.930 1.00 0.00 O ATOM 104 CB SER A 13 -3.359 -7.987 2.023 1.00 0.00 C ATOM 105 OG SER A 13 -4.379 -7.433 2.850 1.00 0.00 O ATOM 0 H SER A 13 -0.795 -6.610 0.911 1.00 0.00 H new ATOM 0 HA SER A 13 -2.018 -7.116 3.438 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.559 -7.733 0.982 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.384 -9.074 2.096 1.00 0.00 H new ATOM 0 HG SER A 13 -4.236 -6.468 2.943 1.00 0.00 H new ATOM 111 N SER A 14 0.274 -8.305 2.734 1.00 0.00 N ATOM 112 CA SER A 14 1.344 -9.288 2.716 1.00 0.00 C ATOM 113 C SER A 14 1.347 -10.033 1.380 1.00 0.00 C ATOM 114 O SER A 14 1.821 -11.166 1.299 1.00 0.00 O ATOM 115 CB SER A 14 1.203 -10.276 3.876 1.00 0.00 C ATOM 116 OG SER A 14 2.338 -10.254 4.737 1.00 0.00 O ATOM 0 H SER A 14 0.548 -7.382 3.071 1.00 0.00 H new ATOM 0 HA SER A 14 2.293 -8.764 2.834 1.00 0.00 H new ATOM 0 HB2 SER A 14 0.308 -10.036 4.450 1.00 0.00 H new ATOM 0 HB3 SER A 14 1.068 -11.283 3.480 1.00 0.00 H new ATOM 0 HG SER A 14 2.209 -10.897 5.465 1.00 0.00 H new ATOM 122 N GLY A 15 0.814 -9.368 0.366 1.00 0.00 N ATOM 123 CA GLY A 15 0.749 -9.954 -0.962 1.00 0.00 C ATOM 124 C GLY A 15 -0.243 -11.118 -1.000 1.00 0.00 C ATOM 125 O GLY A 15 0.097 -12.213 -1.446 1.00 0.00 O ATOM 0 H GLY A 15 0.423 -8.429 0.437 1.00 0.00 H new ATOM 0 HA2 GLY A 15 0.451 -9.194 -1.684 1.00 0.00 H new ATOM 0 HA3 GLY A 15 1.738 -10.305 -1.257 1.00 0.00 H new ATOM 129 N ASN A 16 -1.449 -10.841 -0.527 1.00 0.00 N ATOM 130 CA ASN A 16 -2.493 -11.852 -0.502 1.00 0.00 C ATOM 131 C ASN A 16 -3.182 -11.901 -1.867 1.00 0.00 C ATOM 132 O ASN A 16 -3.841 -10.943 -2.269 1.00 0.00 O ATOM 133 CB ASN A 16 -3.553 -11.523 0.551 1.00 0.00 C ATOM 134 CG ASN A 16 -4.257 -12.792 1.035 1.00 0.00 C ATOM 135 OD1 ASN A 16 -4.558 -13.695 0.272 1.00 0.00 O ATOM 136 ND2 ASN A 16 -4.503 -12.809 2.342 1.00 0.00 N ATOM 0 H ASN A 16 -1.727 -9.932 -0.158 1.00 0.00 H new ATOM 0 HA ASN A 16 -2.030 -12.809 -0.261 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -3.086 -11.017 1.396 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -4.286 -10.834 0.132 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -4.971 -13.612 2.763 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -4.224 -12.019 2.924 1.00 0.00 H new ATOM 143 N PRO A 17 -3.002 -13.057 -2.560 1.00 0.00 N ATOM 144 CA PRO A 17 -3.599 -13.244 -3.872 1.00 0.00 C ATOM 145 C PRO A 17 -5.102 -13.506 -3.758 1.00 0.00 C ATOM 146 O PRO A 17 -5.782 -13.689 -4.766 1.00 0.00 O ATOM 147 CB PRO A 17 -2.839 -14.407 -4.488 1.00 0.00 C ATOM 148 CG PRO A 17 -2.165 -15.125 -3.330 1.00 0.00 C ATOM 149 CD PRO A 17 -2.228 -14.213 -2.116 1.00 0.00 C ATOM 0 HA PRO A 17 -3.520 -12.357 -4.500 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -3.514 -15.076 -5.022 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -2.103 -14.054 -5.210 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -2.666 -16.071 -3.123 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -1.130 -15.360 -3.577 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -2.707 -14.710 -1.272 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -1.230 -13.920 -1.789 1.00 0.00 H new ATOM 157 N VAL A 18 -5.577 -13.515 -2.521 1.00 0.00 N ATOM 158 CA VAL A 18 -6.987 -13.752 -2.262 1.00 0.00 C ATOM 159 C VAL A 18 -7.820 -12.703 -3.002 1.00 0.00 C ATOM 160 O VAL A 18 -8.872 -13.019 -3.555 1.00 0.00 O ATOM 161 CB VAL A 18 -7.247 -13.766 -0.754 1.00 0.00 C ATOM 162 CG1 VAL A 18 -6.981 -12.390 -0.139 1.00 0.00 C ATOM 163 CG2 VAL A 18 -8.669 -14.239 -0.447 1.00 0.00 C ATOM 0 H VAL A 18 -5.010 -13.362 -1.687 1.00 0.00 H new ATOM 0 HA VAL A 18 -7.285 -14.730 -2.639 1.00 0.00 H new ATOM 0 HB VAL A 18 -6.554 -14.475 -0.301 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.173 -12.427 0.933 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.942 -12.109 -0.312 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.638 -11.652 -0.600 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -8.827 -14.240 0.631 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -9.386 -13.567 -0.919 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -8.808 -15.248 -0.835 1.00 0.00 H new ATOM 173 N TYR A 19 -7.317 -11.478 -2.989 1.00 0.00 N ATOM 174 CA TYR A 19 -8.001 -10.381 -3.653 1.00 0.00 C ATOM 175 C TYR A 19 -8.020 -10.584 -5.169 1.00 0.00 C ATOM 176 O TYR A 19 -8.966 -10.177 -5.842 1.00 0.00 O ATOM 177 CB TYR A 19 -7.194 -9.122 -3.329 1.00 0.00 C ATOM 178 CG TYR A 19 -7.661 -8.390 -2.070 1.00 0.00 C ATOM 179 CD1 TYR A 19 -8.920 -7.824 -2.028 1.00 0.00 C ATOM 180 CD2 TYR A 19 -6.825 -8.295 -0.976 1.00 0.00 C ATOM 181 CE1 TYR A 19 -9.360 -7.135 -0.843 1.00 0.00 C ATOM 182 CE2 TYR A 19 -7.266 -7.605 0.209 1.00 0.00 C ATOM 183 CZ TYR A 19 -8.511 -7.060 0.217 1.00 0.00 C ATOM 184 OH TYR A 19 -8.927 -6.408 1.337 1.00 0.00 O ATOM 0 H TYR A 19 -6.444 -11.220 -2.529 1.00 0.00 H new ATOM 0 HA TYR A 19 -9.035 -10.313 -3.315 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -6.146 -9.396 -3.210 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -7.251 -8.439 -4.176 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -9.574 -7.898 -2.884 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -5.841 -8.738 -1.008 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -10.342 -6.688 -0.797 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -6.622 -7.523 1.072 1.00 0.00 H new ATOM 0 HH TYR A 19 -8.163 -5.960 1.758 1.00 0.00 H new ATOM 194 N GLU A 20 -6.964 -11.213 -5.663 1.00 0.00 N ATOM 195 CA GLU A 20 -6.848 -11.475 -7.088 1.00 0.00 C ATOM 196 C GLU A 20 -8.084 -12.222 -7.593 1.00 0.00 C ATOM 197 O GLU A 20 -8.499 -12.041 -8.737 1.00 0.00 O ATOM 198 CB GLU A 20 -5.570 -12.256 -7.399 1.00 0.00 C ATOM 199 CG GLU A 20 -4.637 -11.445 -8.301 1.00 0.00 C ATOM 200 CD GLU A 20 -4.675 -11.967 -9.739 1.00 0.00 C ATOM 201 OE1 GLU A 20 -4.922 -13.162 -9.959 1.00 0.00 O ATOM 202 OE2 GLU A 20 -4.436 -11.082 -10.647 1.00 0.00 O ATOM 0 H GLU A 20 -6.181 -11.549 -5.102 1.00 0.00 H new ATOM 0 HA GLU A 20 -6.787 -10.520 -7.610 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.057 -12.506 -6.470 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.824 -13.198 -7.886 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.930 -10.395 -8.283 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.618 -11.498 -7.918 1.00 0.00 H new ATOM 210 N LYS A 21 -8.638 -13.046 -6.715 1.00 0.00 N ATOM 211 CA LYS A 21 -9.818 -13.821 -7.058 1.00 0.00 C ATOM 212 C LYS A 21 -10.975 -12.870 -7.368 1.00 0.00 C ATOM 213 O LYS A 21 -11.769 -13.126 -8.272 1.00 0.00 O ATOM 214 CB LYS A 21 -10.133 -14.833 -5.955 1.00 0.00 C ATOM 215 CG LYS A 21 -11.626 -14.834 -5.621 1.00 0.00 C ATOM 216 CD LYS A 21 -12.037 -16.145 -4.948 1.00 0.00 C ATOM 217 CE LYS A 21 -11.557 -16.190 -3.496 1.00 0.00 C ATOM 218 NZ LYS A 21 -11.794 -17.529 -2.913 1.00 0.00 N ATOM 0 H LYS A 21 -8.291 -13.193 -5.767 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.639 -14.410 -7.958 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.827 -15.830 -6.273 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -9.557 -14.593 -5.061 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.856 -13.996 -4.963 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -12.206 -14.692 -6.533 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.121 -16.250 -4.980 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.619 -16.987 -5.499 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.495 -15.950 -3.450 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.080 -15.434 -2.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.462 -17.542 -1.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.811 -17.744 -2.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -11.275 -18.244 -3.462 1.00 0.00 H new ATOM 229 N TYR A 22 -11.034 -11.791 -6.601 1.00 0.00 N ATOM 230 CA TYR A 22 -12.082 -10.800 -6.783 1.00 0.00 C ATOM 231 C TYR A 22 -11.818 -9.945 -8.024 1.00 0.00 C ATOM 232 O TYR A 22 -12.671 -9.842 -8.904 1.00 0.00 O ATOM 233 CB TYR A 22 -12.035 -9.905 -5.543 1.00 0.00 C ATOM 234 CG TYR A 22 -12.089 -10.672 -4.220 1.00 0.00 C ATOM 235 CD1 TYR A 22 -12.636 -11.938 -4.178 1.00 0.00 C ATOM 236 CD2 TYR A 22 -11.590 -10.098 -3.068 1.00 0.00 C ATOM 237 CE1 TYR A 22 -12.687 -12.660 -2.933 1.00 0.00 C ATOM 238 CE2 TYR A 22 -11.640 -10.820 -1.823 1.00 0.00 C ATOM 239 CZ TYR A 22 -12.186 -12.065 -1.817 1.00 0.00 C ATOM 240 OH TYR A 22 -12.234 -12.747 -0.641 1.00 0.00 O ATOM 0 H TYR A 22 -10.374 -11.581 -5.853 1.00 0.00 H new ATOM 0 HA TYR A 22 -13.050 -11.284 -6.913 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -11.121 -9.312 -5.570 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -12.870 -9.206 -5.580 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -13.026 -12.388 -5.079 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -11.162 -9.107 -3.100 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -13.113 -13.651 -2.886 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -11.253 -10.382 -0.915 1.00 0.00 H new ATOM 0 HH TYR A 22 -11.840 -12.200 0.071 1.00 0.00 H new ATOM 250 N TYR A 23 -10.633 -9.353 -8.054 1.00 0.00 N ATOM 251 CA TYR A 23 -10.246 -8.510 -9.173 1.00 0.00 C ATOM 252 C TYR A 23 -10.410 -9.252 -10.501 1.00 0.00 C ATOM 253 O TYR A 23 -10.507 -8.628 -11.557 1.00 0.00 O ATOM 254 CB TYR A 23 -8.766 -8.184 -8.964 1.00 0.00 C ATOM 255 CG TYR A 23 -8.095 -7.530 -10.173 1.00 0.00 C ATOM 256 CD1 TYR A 23 -7.845 -8.272 -11.309 1.00 0.00 C ATOM 257 CD2 TYR A 23 -7.741 -6.196 -10.128 1.00 0.00 C ATOM 258 CE1 TYR A 23 -7.214 -7.656 -12.447 1.00 0.00 C ATOM 259 CE2 TYR A 23 -7.111 -5.580 -11.266 1.00 0.00 C ATOM 260 CZ TYR A 23 -6.878 -6.340 -12.370 1.00 0.00 C ATOM 261 OH TYR A 23 -6.282 -5.758 -13.445 1.00 0.00 O ATOM 0 H TYR A 23 -9.928 -9.440 -7.322 1.00 0.00 H new ATOM 0 HA TYR A 23 -10.869 -7.617 -9.213 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.669 -7.520 -8.105 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -8.233 -9.103 -8.719 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -8.123 -9.315 -11.345 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -7.937 -5.615 -9.239 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -7.012 -8.226 -13.342 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.829 -4.538 -11.244 1.00 0.00 H new ATOM 0 HH TYR A 23 -6.100 -4.815 -13.248 1.00 0.00 H new ATOM 271 N ARG A 24 -10.435 -10.573 -10.405 1.00 0.00 N ATOM 272 CA ARG A 24 -10.586 -11.406 -11.586 1.00 0.00 C ATOM 273 C ARG A 24 -12.067 -11.660 -11.871 1.00 0.00 C ATOM 274 O ARG A 24 -12.449 -11.907 -13.014 1.00 0.00 O ATOM 275 CB ARG A 24 -9.871 -12.748 -11.408 1.00 0.00 C ATOM 276 CG ARG A 24 -9.640 -13.429 -12.758 1.00 0.00 C ATOM 277 CD ARG A 24 -8.183 -13.874 -12.905 1.00 0.00 C ATOM 278 NE ARG A 24 -8.082 -15.340 -12.736 1.00 0.00 N ATOM 279 CZ ARG A 24 -6.949 -15.986 -12.386 1.00 0.00 C ATOM 280 NH1 ARG A 24 -5.809 -15.297 -12.165 1.00 0.00 N ATOM 281 NH2 ARG A 24 -6.973 -17.300 -12.263 1.00 0.00 N ATOM 0 H ARG A 24 -10.353 -11.087 -9.528 1.00 0.00 H new ATOM 0 HA ARG A 24 -10.137 -10.875 -12.426 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -8.916 -12.591 -10.907 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.465 -13.398 -10.766 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -10.299 -14.292 -12.851 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.898 -12.743 -13.565 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -7.803 -13.586 -13.885 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -7.564 -13.371 -12.163 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.921 -15.898 -12.894 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.800 -14.282 -12.262 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.957 -15.792 -11.901 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -7.839 -17.812 -12.432 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.126 -17.803 -11.999 1.00 0.00 H new ATOM 294 N GLN A 25 -12.861 -11.590 -10.813 1.00 0.00 N ATOM 295 CA GLN A 25 -14.293 -11.809 -10.936 1.00 0.00 C ATOM 296 C GLN A 25 -14.915 -10.749 -11.848 1.00 0.00 C ATOM 297 O GLN A 25 -15.851 -11.038 -12.592 1.00 0.00 O ATOM 298 CB GLN A 25 -14.966 -11.814 -9.562 1.00 0.00 C ATOM 299 CG GLN A 25 -15.026 -13.230 -8.986 1.00 0.00 C ATOM 300 CD GLN A 25 -16.355 -13.475 -8.270 1.00 0.00 C ATOM 301 OE1 GLN A 25 -17.205 -14.225 -8.723 1.00 0.00 O ATOM 302 NE2 GLN A 25 -16.488 -12.804 -7.130 1.00 0.00 N ATOM 0 H GLN A 25 -12.541 -11.385 -9.867 1.00 0.00 H new ATOM 0 HA GLN A 25 -14.455 -12.788 -11.387 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -14.416 -11.164 -8.881 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -15.974 -11.408 -9.646 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -14.901 -13.958 -9.788 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -14.201 -13.378 -8.289 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -15.738 -12.193 -6.808 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -17.340 -12.901 -6.578 1.00 0.00 H new ATOM 311 N VAL A 26 -14.370 -9.545 -11.760 1.00 0.00 N ATOM 312 CA VAL A 26 -14.861 -8.441 -12.568 1.00 0.00 C ATOM 313 C VAL A 26 -14.140 -8.444 -13.918 1.00 0.00 C ATOM 314 O VAL A 26 -14.700 -8.012 -14.925 1.00 0.00 O ATOM 315 CB VAL A 26 -14.699 -7.124 -11.808 1.00 0.00 C ATOM 316 CG1 VAL A 26 -14.740 -7.355 -10.296 1.00 0.00 C ATOM 317 CG2 VAL A 26 -13.411 -6.407 -12.219 1.00 0.00 C ATOM 0 H VAL A 26 -13.594 -9.309 -11.142 1.00 0.00 H new ATOM 0 HA VAL A 26 -15.926 -8.557 -12.767 1.00 0.00 H new ATOM 0 HB VAL A 26 -15.538 -6.480 -12.072 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -14.623 -6.403 -9.779 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -15.696 -7.801 -10.022 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -13.931 -8.026 -10.008 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -13.321 -5.474 -11.663 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -12.554 -7.044 -12.000 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -13.439 -6.192 -13.287 1.00 0.00 H new ATOM 327 N GLU A 27 -12.911 -8.936 -13.896 1.00 0.00 N ATOM 328 CA GLU A 27 -12.108 -9.001 -15.106 1.00 0.00 C ATOM 329 C GLU A 27 -12.859 -9.763 -16.200 1.00 0.00 C ATOM 330 O GLU A 27 -13.577 -10.719 -15.914 1.00 0.00 O ATOM 331 CB GLU A 27 -10.747 -9.641 -14.827 1.00 0.00 C ATOM 332 CG GLU A 27 -9.830 -9.534 -16.048 1.00 0.00 C ATOM 333 CD GLU A 27 -9.120 -10.862 -16.318 1.00 0.00 C ATOM 334 OE1 GLU A 27 -8.900 -11.648 -15.385 1.00 0.00 O ATOM 335 OE2 GLU A 27 -8.794 -11.065 -17.550 1.00 0.00 O ATOM 0 H GLU A 27 -12.451 -9.294 -13.059 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.929 -7.984 -15.456 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -10.279 -9.152 -13.973 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -10.882 -10.689 -14.560 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.414 -9.246 -16.922 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -9.091 -8.749 -15.885 1.00 0.00 H new ATOM 343 N ALA A 28 -12.666 -9.310 -17.430 1.00 0.00 N ATOM 344 CA ALA A 28 -13.315 -9.937 -18.569 1.00 0.00 C ATOM 345 C ALA A 28 -12.255 -10.580 -19.465 1.00 0.00 C ATOM 346 O ALA A 28 -11.077 -10.233 -19.386 1.00 0.00 O ATOM 347 CB ALA A 28 -14.156 -8.898 -19.313 1.00 0.00 C ATOM 0 H ALA A 28 -12.069 -8.516 -17.663 1.00 0.00 H new ATOM 0 HA ALA A 28 -13.990 -10.727 -18.239 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -14.643 -9.368 -20.167 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -14.913 -8.494 -18.641 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -13.512 -8.091 -19.661 1.00 0.00 H new ATOM 353 N GLY A 29 -12.711 -11.505 -20.297 1.00 0.00 N ATOM 354 CA GLY A 29 -11.816 -12.199 -21.208 1.00 0.00 C ATOM 355 C GLY A 29 -10.693 -12.902 -20.443 1.00 0.00 C ATOM 356 O GLY A 29 -10.685 -12.911 -19.213 1.00 0.00 O ATOM 0 H GLY A 29 -13.688 -11.790 -20.359 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -12.378 -12.930 -21.789 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -11.389 -11.489 -21.916 1.00 0.00 H new ATOM 360 N ASN A 30 -9.771 -13.475 -21.203 1.00 0.00 N ATOM 361 CA ASN A 30 -8.645 -14.178 -20.612 1.00 0.00 C ATOM 362 C ASN A 30 -7.343 -13.498 -21.038 1.00 0.00 C ATOM 363 O ASN A 30 -6.403 -14.163 -21.470 1.00 0.00 O ATOM 364 CB ASN A 30 -8.595 -15.633 -21.085 1.00 0.00 C ATOM 365 CG ASN A 30 -9.425 -16.536 -20.170 1.00 0.00 C ATOM 366 OD1 ASN A 30 -10.636 -16.425 -20.078 1.00 0.00 O ATOM 367 ND2 ASN A 30 -8.707 -17.433 -19.501 1.00 0.00 N ATOM 0 H ASN A 30 -9.781 -13.467 -22.223 1.00 0.00 H new ATOM 0 HA ASN A 30 -8.764 -14.154 -19.529 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -8.970 -15.700 -22.106 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -7.561 -15.978 -21.102 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -9.168 -18.083 -18.864 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -7.695 -17.472 -19.625 1.00 0.00 H new ATOM 374 N THR A 31 -7.329 -12.180 -20.901 1.00 0.00 N ATOM 375 CA THR A 31 -6.158 -11.402 -21.267 1.00 0.00 C ATOM 376 C THR A 31 -5.361 -11.020 -20.018 1.00 0.00 C ATOM 377 O THR A 31 -4.131 -11.000 -20.044 1.00 0.00 O ATOM 378 CB THR A 31 -6.627 -10.195 -22.081 1.00 0.00 C ATOM 379 OG1 THR A 31 -7.088 -9.271 -21.098 1.00 0.00 O ATOM 380 CG2 THR A 31 -7.871 -10.500 -22.918 1.00 0.00 C ATOM 0 H THR A 31 -8.110 -11.631 -20.542 1.00 0.00 H new ATOM 0 HA THR A 31 -5.475 -11.983 -21.886 1.00 0.00 H new ATOM 0 HB THR A 31 -5.821 -9.864 -22.736 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.409 -8.457 -21.539 1.00 0.00 H new ATOM 0 HG21 THR A 31 -8.161 -9.610 -23.476 1.00 0.00 H new ATOM 0 HG22 THR A 31 -7.651 -11.309 -23.615 1.00 0.00 H new ATOM 0 HG23 THR A 31 -8.688 -10.799 -22.261 1.00 0.00 H new ATOM 388 N GLY A 32 -6.094 -10.725 -18.954 1.00 0.00 N ATOM 389 CA GLY A 32 -5.470 -10.345 -17.698 1.00 0.00 C ATOM 390 C GLY A 32 -5.675 -8.856 -17.413 1.00 0.00 C ATOM 391 O GLY A 32 -5.030 -8.295 -16.529 1.00 0.00 O ATOM 0 H GLY A 32 -7.114 -10.742 -18.936 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.891 -10.936 -16.885 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.404 -10.568 -17.735 1.00 0.00 H new ATOM 395 N ARG A 33 -6.575 -8.257 -18.180 1.00 0.00 N ATOM 396 CA ARG A 33 -6.872 -6.844 -18.021 1.00 0.00 C ATOM 397 C ARG A 33 -8.338 -6.651 -17.626 1.00 0.00 C ATOM 398 O ARG A 33 -9.221 -7.323 -18.156 1.00 0.00 O ATOM 399 CB ARG A 33 -6.595 -6.074 -19.314 1.00 0.00 C ATOM 400 CG ARG A 33 -5.143 -5.595 -19.366 1.00 0.00 C ATOM 401 CD ARG A 33 -5.060 -4.147 -19.852 1.00 0.00 C ATOM 402 NE ARG A 33 -4.449 -4.099 -21.199 1.00 0.00 N ATOM 403 CZ ARG A 33 -4.562 -3.053 -22.045 1.00 0.00 C ATOM 404 NH1 ARG A 33 -5.267 -1.958 -21.690 1.00 0.00 N ATOM 405 NH2 ARG A 33 -3.975 -3.118 -23.225 1.00 0.00 N ATOM 0 H ARG A 33 -7.108 -8.725 -18.913 1.00 0.00 H new ATOM 0 HA ARG A 33 -6.225 -6.456 -17.234 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.802 -6.712 -20.173 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -7.267 -5.218 -19.383 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -4.694 -5.676 -18.376 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.568 -6.239 -20.031 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -6.057 -3.707 -19.880 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -4.469 -3.554 -19.154 1.00 0.00 H new ATOM 0 HE ARG A 33 -3.908 -4.907 -21.508 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -5.719 -1.917 -20.777 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -5.347 -1.172 -22.335 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -3.446 -3.950 -23.486 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -4.051 -2.336 -23.876 1.00 0.00 H new ATOM 418 N VAL A 34 -8.550 -5.731 -16.697 1.00 0.00 N ATOM 419 CA VAL A 34 -9.893 -5.441 -16.224 1.00 0.00 C ATOM 420 C VAL A 34 -10.397 -4.158 -16.887 1.00 0.00 C ATOM 421 O VAL A 34 -9.790 -3.099 -16.739 1.00 0.00 O ATOM 422 CB VAL A 34 -9.906 -5.369 -14.696 1.00 0.00 C ATOM 423 CG1 VAL A 34 -9.308 -4.049 -14.205 1.00 0.00 C ATOM 424 CG2 VAL A 34 -11.321 -5.567 -14.149 1.00 0.00 C ATOM 0 H VAL A 34 -7.814 -5.177 -16.259 1.00 0.00 H new ATOM 0 HA VAL A 34 -10.577 -6.242 -16.504 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.285 -6.180 -14.317 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -9.329 -4.023 -13.116 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -8.277 -3.966 -14.550 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.891 -3.217 -14.599 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -11.301 -5.511 -13.061 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -11.975 -4.788 -14.541 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -11.696 -6.543 -14.456 1.00 0.00 H new ATOM 434 N LEU A 35 -11.503 -4.296 -17.605 1.00 0.00 N ATOM 435 CA LEU A 35 -12.095 -3.161 -18.291 1.00 0.00 C ATOM 436 C LEU A 35 -12.541 -2.122 -17.260 1.00 0.00 C ATOM 437 O LEU A 35 -12.855 -0.986 -17.613 1.00 0.00 O ATOM 438 CB LEU A 35 -13.218 -3.624 -19.222 1.00 0.00 C ATOM 439 CG LEU A 35 -12.936 -3.512 -20.722 1.00 0.00 C ATOM 440 CD1 LEU A 35 -14.018 -4.220 -21.538 1.00 0.00 C ATOM 441 CD2 LEU A 35 -12.766 -2.050 -21.140 1.00 0.00 C ATOM 0 H LEU A 35 -12.004 -5.176 -17.726 1.00 0.00 H new ATOM 0 HA LEU A 35 -11.358 -2.678 -18.933 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -13.447 -4.665 -18.992 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -14.112 -3.043 -18.996 1.00 0.00 H new ATOM 0 HG LEU A 35 -11.994 -4.018 -20.931 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -13.793 -4.125 -22.600 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -14.047 -5.275 -21.266 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -14.987 -3.765 -21.330 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -12.567 -1.998 -22.210 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -13.679 -1.498 -20.914 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -11.932 -1.610 -20.594 1.00 0.00 H new ATOM 453 N ALA A 36 -12.553 -2.548 -16.006 1.00 0.00 N ATOM 454 CA ALA A 36 -12.955 -1.669 -14.921 1.00 0.00 C ATOM 455 C ALA A 36 -14.482 -1.626 -14.843 1.00 0.00 C ATOM 456 O ALA A 36 -15.059 -1.843 -13.779 1.00 0.00 O ATOM 457 CB ALA A 36 -12.343 -0.283 -15.133 1.00 0.00 C ATOM 0 H ALA A 36 -12.291 -3.490 -15.717 1.00 0.00 H new ATOM 0 HA ALA A 36 -12.587 -2.046 -13.967 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -12.645 0.376 -14.319 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.256 -0.364 -15.151 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -12.692 0.128 -16.081 1.00 0.00 H new ATOM 463 N LEU A 37 -15.093 -1.345 -15.985 1.00 0.00 N ATOM 464 CA LEU A 37 -16.542 -1.272 -16.059 1.00 0.00 C ATOM 465 C LEU A 37 -17.150 -2.372 -15.188 1.00 0.00 C ATOM 466 O LEU A 37 -18.150 -2.149 -14.508 1.00 0.00 O ATOM 467 CB LEU A 37 -17.006 -1.314 -17.516 1.00 0.00 C ATOM 468 CG LEU A 37 -17.166 0.041 -18.209 1.00 0.00 C ATOM 469 CD1 LEU A 37 -18.475 0.717 -17.795 1.00 0.00 C ATOM 470 CD2 LEU A 37 -15.952 0.935 -17.952 1.00 0.00 C ATOM 0 H LEU A 37 -14.611 -1.165 -16.866 1.00 0.00 H new ATOM 0 HA LEU A 37 -16.896 -0.320 -15.663 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -16.293 -1.909 -18.086 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -17.962 -1.836 -17.557 1.00 0.00 H new ATOM 0 HG LEU A 37 -17.218 -0.129 -19.284 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -18.564 1.678 -18.301 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -19.316 0.081 -18.072 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -18.478 0.874 -16.716 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -16.091 1.892 -18.456 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -15.843 1.102 -16.880 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -15.055 0.450 -18.337 1.00 0.00 H new ATOM 482 N ASP A 38 -16.520 -3.537 -15.237 1.00 0.00 N ATOM 483 CA ASP A 38 -16.987 -4.673 -14.460 1.00 0.00 C ATOM 484 C ASP A 38 -16.699 -4.425 -12.978 1.00 0.00 C ATOM 485 O ASP A 38 -17.580 -4.590 -12.135 1.00 0.00 O ATOM 486 CB ASP A 38 -16.264 -5.957 -14.873 1.00 0.00 C ATOM 487 CG ASP A 38 -16.996 -6.804 -15.916 1.00 0.00 C ATOM 488 OD1 ASP A 38 -16.938 -6.523 -17.122 1.00 0.00 O ATOM 489 OD2 ASP A 38 -17.657 -7.804 -15.439 1.00 0.00 O ATOM 0 H ASP A 38 -15.691 -3.719 -15.802 1.00 0.00 H new ATOM 0 HA ASP A 38 -18.056 -4.787 -14.639 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -15.282 -5.693 -15.265 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -16.099 -6.565 -13.984 1.00 0.00 H new ATOM 495 N ALA A 39 -15.464 -4.033 -12.705 1.00 0.00 N ATOM 496 CA ALA A 39 -15.049 -3.760 -11.340 1.00 0.00 C ATOM 497 C ALA A 39 -16.112 -2.902 -10.650 1.00 0.00 C ATOM 498 O ALA A 39 -16.465 -3.151 -9.498 1.00 0.00 O ATOM 499 CB ALA A 39 -13.674 -3.090 -11.347 1.00 0.00 C ATOM 0 H ALA A 39 -14.736 -3.898 -13.407 1.00 0.00 H new ATOM 0 HA ALA A 39 -14.956 -4.688 -10.775 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -13.364 -2.886 -10.322 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -12.949 -3.752 -11.821 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -13.728 -2.154 -11.903 1.00 0.00 H new ATOM 505 N ALA A 40 -16.593 -1.910 -11.384 1.00 0.00 N ATOM 506 CA ALA A 40 -17.609 -1.014 -10.858 1.00 0.00 C ATOM 507 C ALA A 40 -18.870 -1.816 -10.529 1.00 0.00 C ATOM 508 O ALA A 40 -19.545 -1.540 -9.539 1.00 0.00 O ATOM 509 CB ALA A 40 -17.876 0.104 -11.867 1.00 0.00 C ATOM 0 H ALA A 40 -16.298 -1.707 -12.339 1.00 0.00 H new ATOM 0 HA ALA A 40 -17.266 -0.545 -9.935 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -18.638 0.776 -11.472 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -16.956 0.662 -12.044 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -18.224 -0.328 -12.805 1.00 0.00 H new ATOM 515 N ALA A 41 -19.149 -2.794 -11.379 1.00 0.00 N ATOM 516 CA ALA A 41 -20.316 -3.638 -11.191 1.00 0.00 C ATOM 517 C ALA A 41 -20.148 -4.456 -9.909 1.00 0.00 C ATOM 518 O ALA A 41 -21.075 -4.559 -9.107 1.00 0.00 O ATOM 519 CB ALA A 41 -20.512 -4.521 -12.425 1.00 0.00 C ATOM 0 H ALA A 41 -18.587 -3.020 -12.199 1.00 0.00 H new ATOM 0 HA ALA A 41 -21.214 -3.031 -11.079 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -21.388 -5.154 -12.284 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -20.657 -3.892 -13.303 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -19.631 -5.147 -12.568 1.00 0.00 H new ATOM 525 N PHE A 42 -18.957 -5.018 -9.756 1.00 0.00 N ATOM 526 CA PHE A 42 -18.655 -5.824 -8.585 1.00 0.00 C ATOM 527 C PHE A 42 -18.729 -4.985 -7.308 1.00 0.00 C ATOM 528 O PHE A 42 -19.197 -5.461 -6.274 1.00 0.00 O ATOM 529 CB PHE A 42 -17.227 -6.345 -8.757 1.00 0.00 C ATOM 530 CG PHE A 42 -16.596 -6.869 -7.466 1.00 0.00 C ATOM 531 CD1 PHE A 42 -17.217 -7.848 -6.754 1.00 0.00 C ATOM 532 CD2 PHE A 42 -15.414 -6.357 -7.029 1.00 0.00 C ATOM 533 CE1 PHE A 42 -16.632 -8.335 -5.555 1.00 0.00 C ATOM 534 CE2 PHE A 42 -14.829 -6.844 -5.830 1.00 0.00 C ATOM 535 CZ PHE A 42 -15.450 -7.822 -5.119 1.00 0.00 C ATOM 0 H PHE A 42 -18.190 -4.931 -10.423 1.00 0.00 H new ATOM 0 HA PHE A 42 -19.376 -6.636 -8.496 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -17.230 -7.144 -9.498 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -16.604 -5.544 -9.154 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -18.155 -8.255 -7.101 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -14.920 -5.580 -7.594 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -17.125 -9.112 -4.990 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -13.891 -6.437 -5.483 1.00 0.00 H new ATOM 0 HZ PHE A 42 -15.005 -8.192 -4.207 1.00 0.00 H new ATOM 545 N LEU A 43 -18.261 -3.751 -7.420 1.00 0.00 N ATOM 546 CA LEU A 43 -18.268 -2.841 -6.287 1.00 0.00 C ATOM 547 C LEU A 43 -19.708 -2.640 -5.810 1.00 0.00 C ATOM 548 O LEU A 43 -19.983 -2.702 -4.613 1.00 0.00 O ATOM 549 CB LEU A 43 -17.550 -1.538 -6.642 1.00 0.00 C ATOM 550 CG LEU A 43 -16.029 -1.628 -6.785 1.00 0.00 C ATOM 551 CD1 LEU A 43 -15.461 -0.355 -7.415 1.00 0.00 C ATOM 552 CD2 LEU A 43 -15.370 -1.947 -5.442 1.00 0.00 C ATOM 0 H LEU A 43 -17.874 -3.359 -8.279 1.00 0.00 H new ATOM 0 HA LEU A 43 -17.711 -3.267 -5.452 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -17.962 -1.163 -7.579 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -17.780 -0.799 -5.875 1.00 0.00 H new ATOM 0 HG LEU A 43 -15.798 -2.452 -7.460 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -14.378 -0.445 -7.505 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -15.897 -0.213 -8.404 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -15.702 0.501 -6.785 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -14.289 -2.005 -5.572 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -15.607 -1.162 -4.725 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -15.743 -2.902 -5.071 1.00 0.00 H new ATOM 564 N LYS A 44 -20.588 -2.402 -6.771 1.00 0.00 N ATOM 565 CA LYS A 44 -21.993 -2.191 -6.464 1.00 0.00 C ATOM 566 C LYS A 44 -22.512 -3.367 -5.635 1.00 0.00 C ATOM 567 O LYS A 44 -23.515 -3.243 -4.935 1.00 0.00 O ATOM 568 CB LYS A 44 -22.790 -1.944 -7.746 1.00 0.00 C ATOM 569 CG LYS A 44 -22.707 -0.476 -8.169 1.00 0.00 C ATOM 570 CD LYS A 44 -23.943 -0.066 -8.972 1.00 0.00 C ATOM 571 CE LYS A 44 -23.694 -0.212 -10.475 1.00 0.00 C ATOM 572 NZ LYS A 44 -22.816 0.874 -10.963 1.00 0.00 N ATOM 0 H LYS A 44 -20.356 -2.351 -7.763 1.00 0.00 H new ATOM 0 HA LYS A 44 -22.120 -1.293 -5.859 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -22.406 -2.579 -8.545 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -23.832 -2.223 -7.590 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -22.617 0.156 -7.286 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -21.810 -0.317 -8.768 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -24.793 -0.683 -8.679 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -24.205 0.967 -8.742 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -23.235 -1.179 -10.681 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -24.643 -0.189 -11.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -22.886 0.938 -11.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -23.112 1.777 -10.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -21.832 0.672 -10.694 1.00 0.00 H new ATOM 583 N LYS A 45 -21.804 -4.482 -5.740 1.00 0.00 N ATOM 584 CA LYS A 45 -22.180 -5.680 -5.009 1.00 0.00 C ATOM 585 C LYS A 45 -21.781 -5.522 -3.540 1.00 0.00 C ATOM 586 O LYS A 45 -22.034 -6.408 -2.725 1.00 0.00 O ATOM 587 CB LYS A 45 -21.589 -6.924 -5.676 1.00 0.00 C ATOM 588 CG LYS A 45 -21.818 -6.895 -7.189 1.00 0.00 C ATOM 589 CD LYS A 45 -21.639 -8.288 -7.797 1.00 0.00 C ATOM 590 CE LYS A 45 -22.125 -8.319 -9.247 1.00 0.00 C ATOM 591 NZ LYS A 45 -23.554 -8.697 -9.307 1.00 0.00 N ATOM 0 H LYS A 45 -20.971 -4.581 -6.321 1.00 0.00 H new ATOM 0 HA LYS A 45 -23.261 -5.817 -5.034 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -20.521 -6.980 -5.467 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -22.044 -7.819 -5.253 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -22.822 -6.528 -7.402 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -21.119 -6.199 -7.653 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -20.588 -8.575 -7.756 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -22.192 -9.020 -7.208 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -21.982 -7.341 -9.706 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -21.530 -9.030 -9.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -23.867 -8.713 -10.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -23.681 -9.640 -8.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -24.119 -8.004 -8.777 1.00 0.00 H new ATOM 602 N SER A 46 -21.163 -4.387 -3.247 1.00 0.00 N ATOM 603 CA SER A 46 -20.726 -4.102 -1.891 1.00 0.00 C ATOM 604 C SER A 46 -21.934 -3.789 -1.007 1.00 0.00 C ATOM 605 O SER A 46 -22.344 -4.617 -0.195 1.00 0.00 O ATOM 606 CB SER A 46 -19.734 -2.937 -1.866 1.00 0.00 C ATOM 607 OG SER A 46 -20.349 -1.705 -2.234 1.00 0.00 O ATOM 0 H SER A 46 -20.955 -3.654 -3.925 1.00 0.00 H new ATOM 0 HA SER A 46 -20.219 -4.985 -1.502 1.00 0.00 H new ATOM 0 HB2 SER A 46 -19.307 -2.845 -0.867 1.00 0.00 H new ATOM 0 HB3 SER A 46 -18.909 -3.148 -2.547 1.00 0.00 H new ATOM 0 HG SER A 46 -20.421 -1.654 -3.210 1.00 0.00 H new ATOM 613 N GLY A 47 -22.471 -2.592 -1.194 1.00 0.00 N ATOM 614 CA GLY A 47 -23.624 -2.160 -0.423 1.00 0.00 C ATOM 615 C GLY A 47 -23.826 -0.648 -0.539 1.00 0.00 C ATOM 616 O GLY A 47 -24.952 -0.161 -0.457 1.00 0.00 O ATOM 0 H GLY A 47 -22.129 -1.908 -1.869 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -24.516 -2.678 -0.775 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -23.489 -2.433 0.624 1.00 0.00 H new ATOM 620 N LEU A 48 -22.717 0.052 -0.728 1.00 0.00 N ATOM 621 CA LEU A 48 -22.758 1.499 -0.856 1.00 0.00 C ATOM 622 C LEU A 48 -23.349 1.869 -2.218 1.00 0.00 C ATOM 623 O LEU A 48 -23.393 1.040 -3.126 1.00 0.00 O ATOM 624 CB LEU A 48 -21.374 2.099 -0.602 1.00 0.00 C ATOM 625 CG LEU A 48 -20.983 2.287 0.865 1.00 0.00 C ATOM 626 CD1 LEU A 48 -19.462 2.328 1.026 1.00 0.00 C ATOM 627 CD2 LEU A 48 -21.656 3.527 1.457 1.00 0.00 C ATOM 0 H LEU A 48 -21.785 -0.356 -0.796 1.00 0.00 H new ATOM 0 HA LEU A 48 -23.410 1.931 -0.097 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -20.630 1.459 -1.076 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -21.324 3.068 -1.098 1.00 0.00 H new ATOM 0 HG LEU A 48 -21.343 1.426 1.428 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -19.211 2.462 2.078 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -19.033 1.392 0.667 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -19.057 3.158 0.447 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -21.361 3.638 2.501 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -21.348 4.410 0.897 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -22.739 3.418 1.395 1.00 0.00 H new ATOM 639 N PRO A 49 -23.799 3.148 -2.320 1.00 0.00 N ATOM 640 CA PRO A 49 -24.385 3.639 -3.556 1.00 0.00 C ATOM 641 C PRO A 49 -23.306 3.898 -4.609 1.00 0.00 C ATOM 642 O PRO A 49 -22.184 3.409 -4.487 1.00 0.00 O ATOM 643 CB PRO A 49 -25.143 4.896 -3.161 1.00 0.00 C ATOM 644 CG PRO A 49 -24.575 5.319 -1.816 1.00 0.00 C ATOM 645 CD PRO A 49 -23.763 4.158 -1.266 1.00 0.00 C ATOM 0 HA PRO A 49 -25.055 2.915 -4.020 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -25.012 5.682 -3.905 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -26.213 4.701 -3.089 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -23.948 6.204 -1.928 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -25.379 5.582 -1.128 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -22.740 4.461 -1.043 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -24.193 3.778 -0.339 1.00 0.00 H new ATOM 653 N ASP A 50 -23.684 4.666 -5.621 1.00 0.00 N ATOM 654 CA ASP A 50 -22.763 4.996 -6.695 1.00 0.00 C ATOM 655 C ASP A 50 -22.167 6.383 -6.442 1.00 0.00 C ATOM 656 O ASP A 50 -21.076 6.689 -6.919 1.00 0.00 O ATOM 657 CB ASP A 50 -23.481 5.029 -8.045 1.00 0.00 C ATOM 658 CG ASP A 50 -24.027 3.682 -8.520 1.00 0.00 C ATOM 659 OD1 ASP A 50 -23.886 3.314 -9.696 1.00 0.00 O ATOM 660 OD2 ASP A 50 -24.628 2.987 -7.615 1.00 0.00 O ATOM 0 H ASP A 50 -24.616 5.069 -5.719 1.00 0.00 H new ATOM 0 HA ASP A 50 -21.985 4.233 -6.719 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -24.307 5.737 -7.983 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -22.791 5.410 -8.798 1.00 0.00 H new ATOM 666 N LEU A 51 -22.910 7.183 -5.692 1.00 0.00 N ATOM 667 CA LEU A 51 -22.469 8.530 -5.370 1.00 0.00 C ATOM 668 C LEU A 51 -21.123 8.461 -4.645 1.00 0.00 C ATOM 669 O LEU A 51 -20.076 8.677 -5.253 1.00 0.00 O ATOM 670 CB LEU A 51 -23.552 9.275 -4.588 1.00 0.00 C ATOM 671 CG LEU A 51 -24.228 8.489 -3.462 1.00 0.00 C ATOM 672 CD1 LEU A 51 -23.936 9.122 -2.100 1.00 0.00 C ATOM 673 CD2 LEU A 51 -25.729 8.347 -3.718 1.00 0.00 C ATOM 0 H LEU A 51 -23.815 6.925 -5.298 1.00 0.00 H new ATOM 0 HA LEU A 51 -22.312 9.108 -6.281 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -23.110 10.175 -4.161 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -24.320 9.600 -5.290 1.00 0.00 H new ATOM 0 HG LEU A 51 -23.807 7.484 -3.446 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -24.428 8.544 -1.317 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -22.860 9.128 -1.925 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -24.312 10.145 -2.086 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -26.185 7.785 -2.903 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -26.183 9.336 -3.775 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -25.889 7.819 -4.658 1.00 0.00 H new ATOM 685 N ILE A 52 -21.196 8.160 -3.357 1.00 0.00 N ATOM 686 CA ILE A 52 -19.996 8.061 -2.543 1.00 0.00 C ATOM 687 C ILE A 52 -18.960 7.204 -3.273 1.00 0.00 C ATOM 688 O ILE A 52 -17.761 7.463 -3.183 1.00 0.00 O ATOM 689 CB ILE A 52 -20.340 7.550 -1.142 1.00 0.00 C ATOM 690 CG1 ILE A 52 -21.081 8.619 -0.336 1.00 0.00 C ATOM 691 CG2 ILE A 52 -19.089 7.050 -0.419 1.00 0.00 C ATOM 692 CD1 ILE A 52 -20.098 9.497 0.442 1.00 0.00 C ATOM 0 H ILE A 52 -22.067 7.981 -2.857 1.00 0.00 H new ATOM 0 HA ILE A 52 -19.551 9.045 -2.398 1.00 0.00 H new ATOM 0 HB ILE A 52 -21.014 6.699 -1.244 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -21.676 9.239 -1.007 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -21.775 8.142 0.356 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -19.361 6.692 0.574 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -18.641 6.235 -0.988 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -18.372 7.865 -0.327 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -20.650 10.249 1.007 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -19.522 8.877 1.129 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -19.421 9.991 -0.255 1.00 0.00 H new ATOM 704 N LEU A 53 -19.460 6.200 -3.979 1.00 0.00 N ATOM 705 CA LEU A 53 -18.592 5.304 -4.724 1.00 0.00 C ATOM 706 C LEU A 53 -17.826 6.103 -5.780 1.00 0.00 C ATOM 707 O LEU A 53 -16.614 5.950 -5.920 1.00 0.00 O ATOM 708 CB LEU A 53 -19.396 4.136 -5.299 1.00 0.00 C ATOM 709 CG LEU A 53 -19.294 2.812 -4.539 1.00 0.00 C ATOM 710 CD1 LEU A 53 -20.255 1.772 -5.117 1.00 0.00 C ATOM 711 CD2 LEU A 53 -17.850 2.306 -4.511 1.00 0.00 C ATOM 0 H LEU A 53 -20.455 5.987 -4.051 1.00 0.00 H new ATOM 0 HA LEU A 53 -17.850 4.856 -4.064 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -20.445 4.429 -5.340 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -19.072 3.968 -6.326 1.00 0.00 H new ATOM 0 HG LEU A 53 -19.594 2.987 -3.506 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -20.162 0.841 -4.558 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -21.278 2.140 -5.041 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -20.011 1.593 -6.164 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -17.805 1.364 -3.965 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -17.499 2.151 -5.531 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -17.216 3.042 -4.017 1.00 0.00 H new ATOM 723 N GLY A 54 -18.565 6.938 -6.495 1.00 0.00 N ATOM 724 CA GLY A 54 -17.970 7.762 -7.534 1.00 0.00 C ATOM 725 C GLY A 54 -16.687 8.430 -7.036 1.00 0.00 C ATOM 726 O GLY A 54 -15.708 8.528 -7.774 1.00 0.00 O ATOM 0 H GLY A 54 -19.570 7.062 -6.376 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -17.749 7.149 -8.408 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -18.682 8.524 -7.851 1.00 0.00 H new ATOM 730 N LYS A 55 -16.734 8.873 -5.788 1.00 0.00 N ATOM 731 CA LYS A 55 -15.588 9.530 -5.184 1.00 0.00 C ATOM 732 C LYS A 55 -14.427 8.537 -5.091 1.00 0.00 C ATOM 733 O LYS A 55 -13.281 8.890 -5.364 1.00 0.00 O ATOM 734 CB LYS A 55 -15.973 10.152 -3.840 1.00 0.00 C ATOM 735 CG LYS A 55 -16.709 11.478 -4.040 1.00 0.00 C ATOM 736 CD LYS A 55 -16.277 12.509 -2.996 1.00 0.00 C ATOM 737 CE LYS A 55 -17.264 13.676 -2.935 1.00 0.00 C ATOM 738 NZ LYS A 55 -17.438 14.135 -1.539 1.00 0.00 N ATOM 0 H LYS A 55 -17.548 8.790 -5.179 1.00 0.00 H new ATOM 0 HA LYS A 55 -15.252 10.358 -5.808 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -16.606 9.461 -3.284 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -15.077 10.316 -3.241 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -16.508 11.862 -5.040 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -17.785 11.315 -3.971 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -16.209 12.034 -2.017 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -15.282 12.882 -3.239 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -16.902 14.499 -3.552 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -18.226 13.368 -3.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -18.111 14.927 -1.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -17.804 13.353 -0.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -16.522 14.448 -1.160 1.00 0.00 H new ATOM 749 N ILE A 56 -14.764 7.315 -4.706 1.00 0.00 N ATOM 750 CA ILE A 56 -13.765 6.269 -4.574 1.00 0.00 C ATOM 751 C ILE A 56 -13.037 6.094 -5.909 1.00 0.00 C ATOM 752 O ILE A 56 -11.815 6.211 -5.974 1.00 0.00 O ATOM 753 CB ILE A 56 -14.402 4.982 -4.047 1.00 0.00 C ATOM 754 CG1 ILE A 56 -14.917 5.170 -2.619 1.00 0.00 C ATOM 755 CG2 ILE A 56 -13.431 3.805 -4.156 1.00 0.00 C ATOM 756 CD1 ILE A 56 -15.516 3.871 -2.077 1.00 0.00 C ATOM 0 H ILE A 56 -15.716 7.026 -4.481 1.00 0.00 H new ATOM 0 HA ILE A 56 -13.014 6.550 -3.835 1.00 0.00 H new ATOM 0 HB ILE A 56 -15.264 4.747 -4.672 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -14.101 5.495 -1.974 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -15.670 5.957 -2.601 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -13.909 2.903 -3.775 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -13.155 3.656 -5.200 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -12.536 4.016 -3.571 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -15.875 4.032 -1.060 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -16.347 3.562 -2.710 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -14.753 3.092 -2.074 1.00 0.00 H new ATOM 768 N TRP A 57 -13.821 5.817 -6.941 1.00 0.00 N ATOM 769 CA TRP A 57 -13.266 5.624 -8.270 1.00 0.00 C ATOM 770 C TRP A 57 -12.428 6.856 -8.616 1.00 0.00 C ATOM 771 O TRP A 57 -11.253 6.735 -8.961 1.00 0.00 O ATOM 772 CB TRP A 57 -14.373 5.348 -9.291 1.00 0.00 C ATOM 773 CG TRP A 57 -13.865 4.802 -10.626 1.00 0.00 C ATOM 774 CD1 TRP A 57 -13.192 5.456 -11.583 1.00 0.00 C ATOM 775 CD2 TRP A 57 -14.017 3.453 -11.118 1.00 0.00 C ATOM 776 NE1 TRP A 57 -12.901 4.631 -12.651 1.00 0.00 N ATOM 777 CE2 TRP A 57 -13.419 3.375 -12.359 1.00 0.00 C ATOM 778 CE3 TRP A 57 -14.641 2.337 -10.533 1.00 0.00 C ATOM 779 CZ2 TRP A 57 -13.384 2.200 -13.120 1.00 0.00 C ATOM 780 CZ3 TRP A 57 -14.598 1.171 -11.306 1.00 0.00 C ATOM 781 CH2 TRP A 57 -13.999 1.075 -12.557 1.00 0.00 C ATOM 0 H TRP A 57 -14.835 5.722 -6.884 1.00 0.00 H new ATOM 0 HA TRP A 57 -12.621 4.746 -8.295 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -15.078 4.635 -8.863 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -14.923 6.271 -9.473 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -12.912 6.498 -11.526 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -12.398 4.895 -13.498 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -15.116 2.376 -9.564 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -12.908 2.163 -14.089 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -15.063 0.284 -10.902 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -14.008 0.137 -13.092 1.00 0.00 H new ATOM 792 N ASP A 58 -13.064 8.014 -8.512 1.00 0.00 N ATOM 793 CA ASP A 58 -12.391 9.267 -8.809 1.00 0.00 C ATOM 794 C ASP A 58 -11.044 9.302 -8.085 1.00 0.00 C ATOM 795 O ASP A 58 -10.098 9.932 -8.556 1.00 0.00 O ATOM 796 CB ASP A 58 -13.217 10.462 -8.330 1.00 0.00 C ATOM 797 CG ASP A 58 -13.284 11.636 -9.309 1.00 0.00 C ATOM 798 OD1 ASP A 58 -14.267 11.797 -10.048 1.00 0.00 O ATOM 799 OD2 ASP A 58 -12.257 12.417 -9.295 1.00 0.00 O ATOM 0 H ASP A 58 -14.038 8.111 -8.226 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.257 9.330 -9.889 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -14.232 10.123 -8.123 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -12.801 10.818 -7.387 1.00 0.00 H new ATOM 805 N LEU A 59 -11.000 8.617 -6.952 1.00 0.00 N ATOM 806 CA LEU A 59 -9.784 8.561 -6.158 1.00 0.00 C ATOM 807 C LEU A 59 -8.926 7.385 -6.628 1.00 0.00 C ATOM 808 O LEU A 59 -7.700 7.428 -6.530 1.00 0.00 O ATOM 809 CB LEU A 59 -10.120 8.520 -4.666 1.00 0.00 C ATOM 810 CG LEU A 59 -8.930 8.377 -3.714 1.00 0.00 C ATOM 811 CD1 LEU A 59 -8.559 6.906 -3.517 1.00 0.00 C ATOM 812 CD2 LEU A 59 -7.740 9.209 -4.196 1.00 0.00 C ATOM 0 H LEU A 59 -11.787 8.096 -6.565 1.00 0.00 H new ATOM 0 HA LEU A 59 -9.192 9.465 -6.303 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -10.657 9.433 -4.410 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -10.802 7.688 -4.490 1.00 0.00 H new ATOM 0 HG LEU A 59 -9.223 8.768 -2.740 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.711 6.833 -2.836 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -9.409 6.370 -3.096 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -8.292 6.466 -4.478 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.908 9.090 -3.502 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.437 8.871 -5.187 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.026 10.260 -4.243 1.00 0.00 H new ATOM 824 N ALA A 60 -9.604 6.362 -7.128 1.00 0.00 N ATOM 825 CA ALA A 60 -8.919 5.177 -7.614 1.00 0.00 C ATOM 826 C ALA A 60 -8.270 5.485 -8.965 1.00 0.00 C ATOM 827 O ALA A 60 -7.049 5.421 -9.100 1.00 0.00 O ATOM 828 CB ALA A 60 -9.908 4.012 -7.694 1.00 0.00 C ATOM 0 H ALA A 60 -10.620 6.330 -7.207 1.00 0.00 H new ATOM 0 HA ALA A 60 -8.125 4.884 -6.927 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -9.394 3.123 -8.059 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -10.318 3.814 -6.704 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -10.718 4.269 -8.377 1.00 0.00 H new ATOM 834 N ASP A 61 -9.116 5.812 -9.931 1.00 0.00 N ATOM 835 CA ASP A 61 -8.641 6.130 -11.266 1.00 0.00 C ATOM 836 C ASP A 61 -7.344 6.936 -11.163 1.00 0.00 C ATOM 837 O ASP A 61 -7.282 7.929 -10.440 1.00 0.00 O ATOM 838 CB ASP A 61 -9.663 6.976 -12.028 1.00 0.00 C ATOM 839 CG ASP A 61 -9.137 7.631 -13.306 1.00 0.00 C ATOM 840 OD1 ASP A 61 -9.337 7.118 -14.417 1.00 0.00 O ATOM 841 OD2 ASP A 61 -8.486 8.731 -13.126 1.00 0.00 O ATOM 0 H ASP A 61 -10.128 5.863 -9.815 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.480 5.192 -11.798 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.514 6.346 -12.285 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.033 7.757 -11.364 1.00 0.00 H new ATOM 847 N THR A 62 -6.340 6.478 -11.896 1.00 0.00 N ATOM 848 CA THR A 62 -5.049 7.143 -11.896 1.00 0.00 C ATOM 849 C THR A 62 -4.254 6.765 -13.148 1.00 0.00 C ATOM 850 O THR A 62 -3.653 7.626 -13.789 1.00 0.00 O ATOM 851 CB THR A 62 -4.333 6.787 -10.592 1.00 0.00 C ATOM 852 OG1 THR A 62 -4.966 7.608 -9.614 1.00 0.00 O ATOM 853 CG2 THR A 62 -2.875 7.249 -10.579 1.00 0.00 C ATOM 0 H THR A 62 -6.395 5.654 -12.494 1.00 0.00 H new ATOM 0 HA THR A 62 -5.163 8.226 -11.936 1.00 0.00 H new ATOM 0 HB THR A 62 -4.373 5.709 -10.439 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.643 8.169 -10.047 1.00 0.00 H new ATOM 0 HG21 THR A 62 -2.414 6.971 -9.631 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.335 6.774 -11.398 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.835 8.332 -10.698 1.00 0.00 H new ATOM 861 N ASP A 63 -4.277 5.477 -13.458 1.00 0.00 N ATOM 862 CA ASP A 63 -3.566 4.975 -14.621 1.00 0.00 C ATOM 863 C ASP A 63 -3.897 5.849 -15.833 1.00 0.00 C ATOM 864 O ASP A 63 -3.001 6.269 -16.563 1.00 0.00 O ATOM 865 CB ASP A 63 -3.984 3.540 -14.945 1.00 0.00 C ATOM 866 CG ASP A 63 -3.075 2.809 -15.935 1.00 0.00 C ATOM 867 OD1 ASP A 63 -3.378 2.717 -17.134 1.00 0.00 O ATOM 868 OD2 ASP A 63 -1.999 2.313 -15.423 1.00 0.00 O ATOM 0 H ASP A 63 -4.777 4.766 -12.924 1.00 0.00 H new ATOM 0 HA ASP A 63 -2.499 4.999 -14.400 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.018 2.969 -14.017 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.997 3.555 -15.348 1.00 0.00 H new ATOM 874 N GLY A 64 -5.186 6.097 -16.008 1.00 0.00 N ATOM 875 CA GLY A 64 -5.647 6.914 -17.118 1.00 0.00 C ATOM 876 C GLY A 64 -6.830 6.254 -17.830 1.00 0.00 C ATOM 877 O GLY A 64 -7.895 6.856 -17.958 1.00 0.00 O ATOM 0 H GLY A 64 -5.926 5.747 -15.400 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -5.941 7.898 -16.753 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.832 7.067 -17.825 1.00 0.00 H new ATOM 881 N LYS A 65 -6.603 5.027 -18.274 1.00 0.00 N ATOM 882 CA LYS A 65 -7.637 4.279 -18.969 1.00 0.00 C ATOM 883 C LYS A 65 -8.587 3.657 -17.944 1.00 0.00 C ATOM 884 O LYS A 65 -8.153 3.198 -16.888 1.00 0.00 O ATOM 885 CB LYS A 65 -7.012 3.261 -19.925 1.00 0.00 C ATOM 886 CG LYS A 65 -7.820 3.156 -21.220 1.00 0.00 C ATOM 887 CD LYS A 65 -6.904 2.902 -22.418 1.00 0.00 C ATOM 888 CE LYS A 65 -6.607 4.202 -23.167 1.00 0.00 C ATOM 889 NZ LYS A 65 -5.978 3.915 -24.476 1.00 0.00 N ATOM 0 H LYS A 65 -5.718 4.532 -18.166 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.233 4.944 -19.594 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.987 3.554 -20.154 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.964 2.285 -19.442 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.546 2.348 -21.135 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.383 4.076 -21.377 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.971 2.453 -22.078 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -7.374 2.188 -23.094 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -7.530 4.762 -23.316 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -5.946 4.830 -22.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -5.783 4.809 -24.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -5.087 3.400 -24.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -6.622 3.334 -25.051 1.00 0.00 H new ATOM 900 N GLY A 66 -9.866 3.662 -18.290 1.00 0.00 N ATOM 901 CA GLY A 66 -10.881 3.104 -17.413 1.00 0.00 C ATOM 902 C GLY A 66 -10.364 1.852 -16.702 1.00 0.00 C ATOM 903 O GLY A 66 -10.591 1.674 -15.507 1.00 0.00 O ATOM 0 H GLY A 66 -10.223 4.044 -19.166 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -11.178 3.849 -16.675 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -11.771 2.856 -17.992 1.00 0.00 H new ATOM 907 N VAL A 67 -9.677 1.017 -17.468 1.00 0.00 N ATOM 908 CA VAL A 67 -9.125 -0.213 -16.927 1.00 0.00 C ATOM 909 C VAL A 67 -8.556 0.058 -15.533 1.00 0.00 C ATOM 910 O VAL A 67 -8.038 1.142 -15.271 1.00 0.00 O ATOM 911 CB VAL A 67 -8.090 -0.792 -17.894 1.00 0.00 C ATOM 912 CG1 VAL A 67 -7.532 -2.117 -17.370 1.00 0.00 C ATOM 913 CG2 VAL A 67 -8.682 -0.962 -19.294 1.00 0.00 C ATOM 0 H VAL A 67 -9.490 1.168 -18.459 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.905 -0.966 -16.818 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.264 -0.084 -17.964 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.799 -2.507 -18.076 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.055 -1.954 -16.404 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.345 -2.835 -17.257 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.925 -1.375 -19.961 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -9.535 -1.639 -19.249 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.008 0.007 -19.671 1.00 0.00 H new ATOM 923 N LEU A 68 -8.671 -0.946 -14.676 1.00 0.00 N ATOM 924 CA LEU A 68 -8.174 -0.829 -13.316 1.00 0.00 C ATOM 925 C LEU A 68 -6.818 -1.529 -13.211 1.00 0.00 C ATOM 926 O LEU A 68 -6.410 -2.241 -14.128 1.00 0.00 O ATOM 927 CB LEU A 68 -9.213 -1.347 -12.319 1.00 0.00 C ATOM 928 CG LEU A 68 -10.561 -0.624 -12.318 1.00 0.00 C ATOM 929 CD1 LEU A 68 -11.379 -0.990 -11.078 1.00 0.00 C ATOM 930 CD2 LEU A 68 -10.371 0.889 -12.453 1.00 0.00 C ATOM 0 H LEU A 68 -9.101 -1.844 -14.897 1.00 0.00 H new ATOM 0 HA LEU A 68 -8.013 0.218 -13.058 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -9.390 -2.403 -12.525 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.789 -1.284 -11.317 1.00 0.00 H new ATOM 0 HG LEU A 68 -11.128 -0.957 -13.187 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -12.332 -0.462 -11.102 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -11.559 -2.065 -11.065 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -10.829 -0.704 -10.182 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -11.344 1.380 -12.450 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -9.776 1.257 -11.617 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -9.857 1.109 -13.389 1.00 0.00 H new ATOM 942 N SER A 69 -6.157 -1.304 -12.085 1.00 0.00 N ATOM 943 CA SER A 69 -4.855 -1.904 -11.848 1.00 0.00 C ATOM 944 C SER A 69 -4.862 -2.661 -10.518 1.00 0.00 C ATOM 945 O SER A 69 -5.872 -2.682 -9.818 1.00 0.00 O ATOM 946 CB SER A 69 -3.751 -0.845 -11.851 1.00 0.00 C ATOM 947 OG SER A 69 -3.697 -0.134 -13.084 1.00 0.00 O ATOM 0 H SER A 69 -6.499 -0.714 -11.326 1.00 0.00 H new ATOM 0 HA SER A 69 -4.649 -2.605 -12.657 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.920 -0.143 -11.035 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.789 -1.323 -11.666 1.00 0.00 H new ATOM 0 HG SER A 69 -2.981 0.534 -13.045 1.00 0.00 H new ATOM 953 N LYS A 70 -3.722 -3.263 -10.211 1.00 0.00 N ATOM 954 CA LYS A 70 -3.584 -4.018 -8.977 1.00 0.00 C ATOM 955 C LYS A 70 -3.974 -3.130 -7.794 1.00 0.00 C ATOM 956 O LYS A 70 -5.152 -3.026 -7.453 1.00 0.00 O ATOM 957 CB LYS A 70 -2.177 -4.609 -8.865 1.00 0.00 C ATOM 958 CG LYS A 70 -1.125 -3.619 -9.370 1.00 0.00 C ATOM 959 CD LYS A 70 -0.597 -4.033 -10.745 1.00 0.00 C ATOM 960 CE LYS A 70 0.030 -2.842 -11.473 1.00 0.00 C ATOM 961 NZ LYS A 70 1.382 -2.563 -10.940 1.00 0.00 N ATOM 0 H LYS A 70 -2.886 -3.243 -10.795 1.00 0.00 H new ATOM 0 HA LYS A 70 -4.264 -4.870 -8.974 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.969 -4.868 -7.827 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.119 -5.532 -9.442 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.559 -2.621 -9.429 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.299 -3.567 -8.660 1.00 0.00 H new ATOM 0 HD2 LYS A 70 0.143 -4.825 -10.631 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.411 -4.442 -11.343 1.00 0.00 H new ATOM 0 HE2 LYS A 70 0.090 -3.051 -12.541 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -0.603 -1.962 -11.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 1.794 -1.752 -11.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.317 -2.343 -9.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 1.987 -3.398 -11.075 1.00 0.00 H new ATOM 972 N GLN A 71 -2.964 -2.512 -7.200 1.00 0.00 N ATOM 973 CA GLN A 71 -3.186 -1.637 -6.063 1.00 0.00 C ATOM 974 C GLN A 71 -4.474 -0.833 -6.255 1.00 0.00 C ATOM 975 O GLN A 71 -5.340 -0.824 -5.382 1.00 0.00 O ATOM 976 CB GLN A 71 -1.989 -0.709 -5.842 1.00 0.00 C ATOM 977 CG GLN A 71 -1.430 -0.864 -4.426 1.00 0.00 C ATOM 978 CD GLN A 71 -1.738 0.371 -3.577 1.00 0.00 C ATOM 979 OE1 GLN A 71 -2.409 1.297 -4.002 1.00 0.00 O ATOM 980 NE2 GLN A 71 -1.211 0.334 -2.357 1.00 0.00 N ATOM 0 H GLN A 71 -1.989 -2.600 -7.486 1.00 0.00 H new ATOM 0 HA GLN A 71 -3.295 -2.254 -5.171 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.210 -0.934 -6.571 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -2.291 0.325 -6.007 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.860 -1.749 -3.956 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.352 -1.019 -4.472 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.659 -0.472 -2.064 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -1.359 1.112 -1.714 1.00 0.00 H new ATOM 989 N GLU A 72 -4.559 -0.178 -7.404 1.00 0.00 N ATOM 990 CA GLU A 72 -5.726 0.626 -7.722 1.00 0.00 C ATOM 991 C GLU A 72 -7.000 -0.077 -7.250 1.00 0.00 C ATOM 992 O GLU A 72 -7.626 0.348 -6.281 1.00 0.00 O ATOM 993 CB GLU A 72 -5.790 0.931 -9.220 1.00 0.00 C ATOM 994 CG GLU A 72 -4.834 2.066 -9.590 1.00 0.00 C ATOM 995 CD GLU A 72 -5.390 2.896 -10.749 1.00 0.00 C ATOM 996 OE1 GLU A 72 -6.610 3.100 -10.836 1.00 0.00 O ATOM 997 OE2 GLU A 72 -4.505 3.336 -11.578 1.00 0.00 O ATOM 0 H GLU A 72 -3.838 -0.188 -8.126 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.643 1.576 -7.195 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -5.535 0.036 -9.788 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.809 1.204 -9.496 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -4.673 2.707 -8.723 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -3.864 1.653 -9.866 1.00 0.00 H new ATOM 1005 N PHE A 73 -7.347 -1.143 -7.958 1.00 0.00 N ATOM 1006 CA PHE A 73 -8.535 -1.909 -7.625 1.00 0.00 C ATOM 1007 C PHE A 73 -8.474 -2.415 -6.182 1.00 0.00 C ATOM 1008 O PHE A 73 -9.475 -2.387 -5.468 1.00 0.00 O ATOM 1009 CB PHE A 73 -8.573 -3.110 -8.572 1.00 0.00 C ATOM 1010 CG PHE A 73 -9.555 -4.205 -8.149 1.00 0.00 C ATOM 1011 CD1 PHE A 73 -9.213 -5.082 -7.168 1.00 0.00 C ATOM 1012 CD2 PHE A 73 -10.768 -4.301 -8.755 1.00 0.00 C ATOM 1013 CE1 PHE A 73 -10.124 -6.099 -6.776 1.00 0.00 C ATOM 1014 CE2 PHE A 73 -11.679 -5.317 -8.363 1.00 0.00 C ATOM 1015 CZ PHE A 73 -11.338 -6.195 -7.382 1.00 0.00 C ATOM 0 H PHE A 73 -6.825 -1.494 -8.761 1.00 0.00 H new ATOM 0 HA PHE A 73 -9.422 -1.283 -7.726 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -8.839 -2.764 -9.571 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -7.573 -3.539 -8.639 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -8.249 -5.005 -6.687 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -11.039 -3.604 -9.535 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -9.853 -6.796 -5.997 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -12.643 -5.393 -8.844 1.00 0.00 H new ATOM 0 HZ PHE A 73 -12.031 -6.968 -7.084 1.00 0.00 H new ATOM 1025 N PHE A 74 -7.289 -2.865 -5.796 1.00 0.00 N ATOM 1026 CA PHE A 74 -7.084 -3.376 -4.451 1.00 0.00 C ATOM 1027 C PHE A 74 -7.352 -2.291 -3.406 1.00 0.00 C ATOM 1028 O PHE A 74 -7.600 -2.595 -2.240 1.00 0.00 O ATOM 1029 CB PHE A 74 -5.620 -3.809 -4.356 1.00 0.00 C ATOM 1030 CG PHE A 74 -5.407 -5.318 -4.494 1.00 0.00 C ATOM 1031 CD1 PHE A 74 -5.691 -5.940 -5.670 1.00 0.00 C ATOM 1032 CD2 PHE A 74 -4.934 -6.037 -3.441 1.00 0.00 C ATOM 1033 CE1 PHE A 74 -5.493 -7.340 -5.799 1.00 0.00 C ATOM 1034 CE2 PHE A 74 -4.736 -7.438 -3.570 1.00 0.00 C ATOM 1035 CZ PHE A 74 -5.020 -8.059 -4.746 1.00 0.00 C ATOM 0 H PHE A 74 -6.461 -2.886 -6.391 1.00 0.00 H new ATOM 0 HA PHE A 74 -7.766 -4.204 -4.259 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.050 -3.299 -5.133 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -5.216 -3.482 -3.398 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -6.067 -5.369 -6.506 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -4.709 -5.543 -2.507 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.718 -7.834 -6.733 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -4.360 -8.010 -2.734 1.00 0.00 H new ATOM 0 HZ PHE A 74 -4.870 -9.124 -4.844 1.00 0.00 H new ATOM 1045 N VAL A 75 -7.292 -1.048 -3.861 1.00 0.00 N ATOM 1046 CA VAL A 75 -7.525 0.083 -2.979 1.00 0.00 C ATOM 1047 C VAL A 75 -9.027 0.357 -2.894 1.00 0.00 C ATOM 1048 O VAL A 75 -9.628 0.217 -1.830 1.00 0.00 O ATOM 1049 CB VAL A 75 -6.722 1.294 -3.459 1.00 0.00 C ATOM 1050 CG1 VAL A 75 -7.427 2.601 -3.088 1.00 0.00 C ATOM 1051 CG2 VAL A 75 -5.297 1.263 -2.904 1.00 0.00 C ATOM 0 H VAL A 75 -7.086 -0.799 -4.828 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.178 -0.141 -1.970 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.658 1.244 -4.546 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.836 3.446 -3.440 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.412 2.628 -3.554 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.536 2.661 -2.005 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.749 2.135 -3.261 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.330 1.276 -1.815 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -4.795 0.356 -3.241 1.00 0.00 H new ATOM 1061 N ALA A 76 -9.591 0.743 -4.029 1.00 0.00 N ATOM 1062 CA ALA A 76 -11.013 1.037 -4.097 1.00 0.00 C ATOM 1063 C ALA A 76 -11.790 -0.050 -3.352 1.00 0.00 C ATOM 1064 O ALA A 76 -12.870 0.207 -2.821 1.00 0.00 O ATOM 1065 CB ALA A 76 -11.440 1.161 -5.561 1.00 0.00 C ATOM 0 H ALA A 76 -9.089 0.859 -4.909 1.00 0.00 H new ATOM 0 HA ALA A 76 -11.232 1.989 -3.613 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -12.506 1.381 -5.612 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -10.880 1.966 -6.036 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -11.238 0.224 -6.079 1.00 0.00 H new ATOM 1071 N LEU A 77 -11.212 -1.242 -3.337 1.00 0.00 N ATOM 1072 CA LEU A 77 -11.837 -2.369 -2.666 1.00 0.00 C ATOM 1073 C LEU A 77 -12.001 -2.045 -1.180 1.00 0.00 C ATOM 1074 O LEU A 77 -13.097 -1.715 -0.730 1.00 0.00 O ATOM 1075 CB LEU A 77 -11.051 -3.654 -2.933 1.00 0.00 C ATOM 1076 CG LEU A 77 -11.800 -4.754 -3.688 1.00 0.00 C ATOM 1077 CD1 LEU A 77 -10.996 -6.056 -3.699 1.00 0.00 C ATOM 1078 CD2 LEU A 77 -13.205 -4.953 -3.115 1.00 0.00 C ATOM 0 H LEU A 77 -10.317 -1.452 -3.779 1.00 0.00 H new ATOM 0 HA LEU A 77 -12.836 -2.545 -3.066 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -10.155 -3.398 -3.499 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -10.719 -4.059 -1.977 1.00 0.00 H new ATOM 0 HG LEU A 77 -11.917 -4.438 -4.725 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -11.551 -6.821 -4.242 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -10.037 -5.887 -4.188 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -10.827 -6.388 -2.675 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -13.716 -5.740 -3.669 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -13.133 -5.237 -2.065 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -13.768 -4.024 -3.202 1.00 0.00 H new ATOM 1090 N ARG A 78 -10.894 -2.151 -0.458 1.00 0.00 N ATOM 1091 CA ARG A 78 -10.902 -1.874 0.968 1.00 0.00 C ATOM 1092 C ARG A 78 -11.485 -0.485 1.236 1.00 0.00 C ATOM 1093 O ARG A 78 -12.101 -0.256 2.275 1.00 0.00 O ATOM 1094 CB ARG A 78 -9.489 -1.948 1.551 1.00 0.00 C ATOM 1095 CG ARG A 78 -9.008 -3.397 1.640 1.00 0.00 C ATOM 1096 CD ARG A 78 -10.027 -4.268 2.378 1.00 0.00 C ATOM 1097 NE ARG A 78 -10.950 -4.899 1.407 1.00 0.00 N ATOM 1098 CZ ARG A 78 -11.566 -6.083 1.609 1.00 0.00 C ATOM 1099 NH1 ARG A 78 -11.363 -6.776 2.749 1.00 0.00 N ATOM 1100 NH2 ARG A 78 -12.371 -6.553 0.674 1.00 0.00 N ATOM 0 H ARG A 78 -9.986 -2.425 -0.834 1.00 0.00 H new ATOM 0 HA ARG A 78 -11.522 -2.631 1.449 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -8.804 -1.371 0.929 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -9.477 -1.495 2.543 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.845 -3.792 0.637 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -8.049 -3.435 2.157 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -9.512 -5.036 2.955 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.591 -3.662 3.087 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.132 -4.409 0.531 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -10.740 -6.406 3.467 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -11.833 -7.670 2.893 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -12.519 -6.023 -0.185 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -12.844 -7.446 0.810 1.00 0.00 H new ATOM 1113 N LEU A 79 -11.269 0.407 0.280 1.00 0.00 N ATOM 1114 CA LEU A 79 -11.765 1.767 0.399 1.00 0.00 C ATOM 1115 C LEU A 79 -13.279 1.736 0.622 1.00 0.00 C ATOM 1116 O LEU A 79 -13.809 2.510 1.417 1.00 0.00 O ATOM 1117 CB LEU A 79 -11.339 2.601 -0.810 1.00 0.00 C ATOM 1118 CG LEU A 79 -11.070 4.084 -0.542 1.00 0.00 C ATOM 1119 CD1 LEU A 79 -10.291 4.717 -1.696 1.00 0.00 C ATOM 1120 CD2 LEU A 79 -12.371 4.833 -0.249 1.00 0.00 C ATOM 0 H LEU A 79 -10.757 0.214 -0.581 1.00 0.00 H new ATOM 0 HA LEU A 79 -11.324 2.258 1.267 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -10.436 2.159 -1.231 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -12.116 2.525 -1.571 1.00 0.00 H new ATOM 0 HG LEU A 79 -10.446 4.163 0.348 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -10.113 5.771 -1.480 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -9.336 4.205 -1.815 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -10.868 4.627 -2.617 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -12.151 5.884 -0.062 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -13.040 4.749 -1.105 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -12.850 4.401 0.630 1.00 0.00 H new ATOM 1132 N VAL A 80 -13.931 0.833 -0.096 1.00 0.00 N ATOM 1133 CA VAL A 80 -15.373 0.691 0.014 1.00 0.00 C ATOM 1134 C VAL A 80 -15.744 0.406 1.470 1.00 0.00 C ATOM 1135 O VAL A 80 -16.720 0.952 1.984 1.00 0.00 O ATOM 1136 CB VAL A 80 -15.867 -0.390 -0.951 1.00 0.00 C ATOM 1137 CG1 VAL A 80 -17.313 -0.781 -0.642 1.00 0.00 C ATOM 1138 CG2 VAL A 80 -15.721 0.065 -2.405 1.00 0.00 C ATOM 0 H VAL A 80 -13.488 0.193 -0.755 1.00 0.00 H new ATOM 0 HA VAL A 80 -15.871 1.617 -0.273 1.00 0.00 H new ATOM 0 HB VAL A 80 -15.244 -1.273 -0.812 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -17.639 -1.550 -1.342 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -17.376 -1.166 0.376 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -17.955 0.094 -0.739 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -16.079 -0.721 -3.070 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -16.308 0.970 -2.564 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -14.672 0.271 -2.618 1.00 0.00 H new ATOM 1148 N ALA A 81 -14.947 -0.447 2.095 1.00 0.00 N ATOM 1149 CA ALA A 81 -15.179 -0.811 3.483 1.00 0.00 C ATOM 1150 C ALA A 81 -15.105 0.445 4.354 1.00 0.00 C ATOM 1151 O ALA A 81 -15.637 0.469 5.462 1.00 0.00 O ATOM 1152 CB ALA A 81 -14.167 -1.876 3.908 1.00 0.00 C ATOM 0 H ALA A 81 -14.139 -0.897 1.666 1.00 0.00 H new ATOM 0 HA ALA A 81 -16.174 -1.240 3.606 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -14.341 -2.149 4.949 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -14.281 -2.758 3.278 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -13.157 -1.481 3.801 1.00 0.00 H new ATOM 1158 N CYS A 82 -14.440 1.459 3.819 1.00 0.00 N ATOM 1159 CA CYS A 82 -14.288 2.715 4.534 1.00 0.00 C ATOM 1160 C CYS A 82 -15.659 3.391 4.611 1.00 0.00 C ATOM 1161 O CYS A 82 -16.228 3.525 5.693 1.00 0.00 O ATOM 1162 CB CYS A 82 -13.243 3.617 3.876 1.00 0.00 C ATOM 1163 SG CYS A 82 -12.224 4.433 5.159 1.00 0.00 S ATOM 0 H CYS A 82 -14.000 1.436 2.899 1.00 0.00 H new ATOM 0 HA CYS A 82 -13.921 2.522 5.542 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -12.607 3.028 3.215 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -13.736 4.368 3.259 1.00 0.00 H new ATOM 0 HG CYS A 82 -11.211 5.024 4.598 1.00 0.00 H new ATOM 1169 N ALA A 83 -16.148 3.800 3.449 1.00 0.00 N ATOM 1170 CA ALA A 83 -17.440 4.459 3.372 1.00 0.00 C ATOM 1171 C ALA A 83 -18.491 3.596 4.073 1.00 0.00 C ATOM 1172 O ALA A 83 -19.535 4.097 4.488 1.00 0.00 O ATOM 1173 CB ALA A 83 -17.790 4.727 1.907 1.00 0.00 C ATOM 0 H ALA A 83 -15.672 3.687 2.554 1.00 0.00 H new ATOM 0 HA ALA A 83 -17.410 5.422 3.882 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -18.760 5.222 1.849 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -17.029 5.368 1.462 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -17.831 3.783 1.364 1.00 0.00 H new ATOM 1179 N GLN A 84 -18.179 2.313 4.185 1.00 0.00 N ATOM 1180 CA GLN A 84 -19.083 1.376 4.829 1.00 0.00 C ATOM 1181 C GLN A 84 -19.143 1.645 6.334 1.00 0.00 C ATOM 1182 O GLN A 84 -20.033 1.149 7.022 1.00 0.00 O ATOM 1183 CB GLN A 84 -18.667 -0.069 4.546 1.00 0.00 C ATOM 1184 CG GLN A 84 -18.853 -0.414 3.067 1.00 0.00 C ATOM 1185 CD GLN A 84 -19.964 -1.450 2.881 1.00 0.00 C ATOM 1186 OE1 GLN A 84 -20.929 -1.241 2.166 1.00 0.00 O ATOM 1187 NE2 GLN A 84 -19.773 -2.576 3.563 1.00 0.00 N ATOM 0 H GLN A 84 -17.312 1.901 3.840 1.00 0.00 H new ATOM 0 HA GLN A 84 -20.081 1.520 4.414 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -17.624 -0.213 4.828 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -19.260 -0.748 5.159 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -19.096 0.489 2.507 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -17.919 -0.800 2.660 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -18.942 -2.686 4.144 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -20.458 -3.330 3.505 1.00 0.00 H new ATOM 1196 N ASN A 85 -18.183 2.430 6.801 1.00 0.00 N ATOM 1197 CA ASN A 85 -18.115 2.771 8.211 1.00 0.00 C ATOM 1198 C ASN A 85 -18.521 4.235 8.398 1.00 0.00 C ATOM 1199 O ASN A 85 -18.800 4.667 9.515 1.00 0.00 O ATOM 1200 CB ASN A 85 -16.694 2.602 8.751 1.00 0.00 C ATOM 1201 CG ASN A 85 -16.710 2.288 10.249 1.00 0.00 C ATOM 1202 OD1 ASN A 85 -17.128 1.228 10.683 1.00 0.00 O ATOM 1203 ND2 ASN A 85 -16.232 3.268 11.012 1.00 0.00 N ATOM 0 H ASN A 85 -17.446 2.840 6.227 1.00 0.00 H new ATOM 0 HA ASN A 85 -18.788 2.105 8.751 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -16.190 1.799 8.213 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -16.123 3.513 8.573 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -16.200 3.156 12.025 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -15.898 4.131 10.583 1.00 0.00 H new ATOM 1210 N GLY A 86 -18.540 4.956 7.287 1.00 0.00 N ATOM 1211 CA GLY A 86 -18.906 6.362 7.314 1.00 0.00 C ATOM 1212 C GLY A 86 -17.663 7.253 7.312 1.00 0.00 C ATOM 1213 O GLY A 86 -17.768 8.472 7.435 1.00 0.00 O ATOM 0 H GLY A 86 -18.308 4.593 6.362 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -19.527 6.596 6.449 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -19.504 6.569 8.201 1.00 0.00 H new ATOM 1217 N LEU A 87 -16.513 6.610 7.172 1.00 0.00 N ATOM 1218 CA LEU A 87 -15.250 7.329 7.153 1.00 0.00 C ATOM 1219 C LEU A 87 -15.060 7.979 5.781 1.00 0.00 C ATOM 1220 O LEU A 87 -15.741 7.623 4.821 1.00 0.00 O ATOM 1221 CB LEU A 87 -14.101 6.404 7.560 1.00 0.00 C ATOM 1222 CG LEU A 87 -14.319 5.584 8.833 1.00 0.00 C ATOM 1223 CD1 LEU A 87 -13.558 4.258 8.768 1.00 0.00 C ATOM 1224 CD2 LEU A 87 -13.953 6.394 10.078 1.00 0.00 C ATOM 0 H LEU A 87 -16.429 5.599 7.071 1.00 0.00 H new ATOM 0 HA LEU A 87 -15.257 8.133 7.889 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -13.906 5.716 6.737 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -13.203 7.008 7.690 1.00 0.00 H new ATOM 0 HG LEU A 87 -15.380 5.344 8.906 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -13.730 3.694 9.685 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -13.909 3.678 7.915 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -12.492 4.455 8.658 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -14.118 5.787 10.968 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -12.904 6.686 10.027 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -14.576 7.287 10.127 1.00 0.00 H new ATOM 1236 N GLU A 88 -14.130 8.921 5.733 1.00 0.00 N ATOM 1237 CA GLU A 88 -13.841 9.625 4.495 1.00 0.00 C ATOM 1238 C GLU A 88 -13.832 8.647 3.318 1.00 0.00 C ATOM 1239 O GLU A 88 -13.738 7.436 3.514 1.00 0.00 O ATOM 1240 CB GLU A 88 -12.514 10.380 4.590 1.00 0.00 C ATOM 1241 CG GLU A 88 -12.557 11.671 3.769 1.00 0.00 C ATOM 1242 CD GLU A 88 -11.293 12.504 3.990 1.00 0.00 C ATOM 1243 OE1 GLU A 88 -10.701 12.456 5.079 1.00 0.00 O ATOM 1244 OE2 GLU A 88 -10.929 13.220 2.981 1.00 0.00 O ATOM 0 H GLU A 88 -13.567 9.213 6.531 1.00 0.00 H new ATOM 0 HA GLU A 88 -14.628 10.360 4.326 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -12.299 10.615 5.632 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.704 9.745 4.233 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -12.657 11.430 2.711 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -13.435 12.254 4.048 1.00 0.00 H new ATOM 1252 N VAL A 89 -13.930 9.209 2.122 1.00 0.00 N ATOM 1253 CA VAL A 89 -13.934 8.401 0.914 1.00 0.00 C ATOM 1254 C VAL A 89 -12.563 8.490 0.242 1.00 0.00 C ATOM 1255 O VAL A 89 -12.345 7.896 -0.813 1.00 0.00 O ATOM 1256 CB VAL A 89 -15.079 8.837 -0.003 1.00 0.00 C ATOM 1257 CG1 VAL A 89 -15.347 7.787 -1.082 1.00 0.00 C ATOM 1258 CG2 VAL A 89 -16.345 9.132 0.803 1.00 0.00 C ATOM 0 H VAL A 89 -14.007 10.214 1.964 1.00 0.00 H new ATOM 0 HA VAL A 89 -14.110 7.353 1.156 1.00 0.00 H new ATOM 0 HB VAL A 89 -14.777 9.759 -0.501 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -16.165 8.121 -1.720 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -14.450 7.648 -1.685 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -15.617 6.842 -0.611 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -17.143 9.440 0.127 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -16.651 8.235 1.341 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -16.144 9.932 1.516 1.00 0.00 H new ATOM 1268 N SER A 90 -11.673 9.236 0.881 1.00 0.00 N ATOM 1269 CA SER A 90 -10.329 9.409 0.358 1.00 0.00 C ATOM 1270 C SER A 90 -9.384 8.388 0.994 1.00 0.00 C ATOM 1271 O SER A 90 -9.707 7.792 2.020 1.00 0.00 O ATOM 1272 CB SER A 90 -9.820 10.831 0.608 1.00 0.00 C ATOM 1273 OG SER A 90 -10.076 11.691 -0.499 1.00 0.00 O ATOM 0 H SER A 90 -11.857 9.727 1.756 1.00 0.00 H new ATOM 0 HA SER A 90 -10.358 9.246 -0.719 1.00 0.00 H new ATOM 0 HB2 SER A 90 -10.298 11.236 1.500 1.00 0.00 H new ATOM 0 HB3 SER A 90 -8.748 10.803 0.806 1.00 0.00 H new ATOM 0 HG SER A 90 -9.738 12.589 -0.300 1.00 0.00 H new ATOM 1279 N LEU A 91 -8.235 8.216 0.357 1.00 0.00 N ATOM 1280 CA LEU A 91 -7.240 7.277 0.848 1.00 0.00 C ATOM 1281 C LEU A 91 -6.778 7.711 2.240 1.00 0.00 C ATOM 1282 O LEU A 91 -6.258 6.901 3.006 1.00 0.00 O ATOM 1283 CB LEU A 91 -6.099 7.129 -0.161 1.00 0.00 C ATOM 1284 CG LEU A 91 -6.132 5.871 -1.031 1.00 0.00 C ATOM 1285 CD1 LEU A 91 -4.982 5.873 -2.041 1.00 0.00 C ATOM 1286 CD2 LEU A 91 -6.135 4.608 -0.169 1.00 0.00 C ATOM 0 H LEU A 91 -7.971 8.711 -0.495 1.00 0.00 H new ATOM 0 HA LEU A 91 -7.674 6.282 0.952 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.105 8.000 -0.816 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -5.155 7.146 0.383 1.00 0.00 H new ATOM 0 HG LEU A 91 -7.061 5.874 -1.601 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -5.028 4.968 -2.647 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.067 6.747 -2.687 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -4.031 5.905 -1.509 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -6.159 3.728 -0.812 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -5.235 4.584 0.445 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -7.014 4.610 0.476 1.00 0.00 H new ATOM 1298 N SER A 92 -6.985 8.988 2.526 1.00 0.00 N ATOM 1299 CA SER A 92 -6.596 9.540 3.813 1.00 0.00 C ATOM 1300 C SER A 92 -7.152 8.672 4.943 1.00 0.00 C ATOM 1301 O SER A 92 -6.425 8.309 5.867 1.00 0.00 O ATOM 1302 CB SER A 92 -7.082 10.983 3.963 1.00 0.00 C ATOM 1303 OG SER A 92 -6.123 11.921 3.485 1.00 0.00 O ATOM 0 H SER A 92 -7.417 9.657 1.888 1.00 0.00 H new ATOM 0 HA SER A 92 -5.507 9.545 3.869 1.00 0.00 H new ATOM 0 HB2 SER A 92 -8.017 11.110 3.416 1.00 0.00 H new ATOM 0 HB3 SER A 92 -7.296 11.186 5.012 1.00 0.00 H new ATOM 0 HG SER A 92 -6.471 12.830 3.596 1.00 0.00 H new ATOM 1309 N SER A 93 -8.436 8.364 4.833 1.00 0.00 N ATOM 1310 CA SER A 93 -9.098 7.545 5.835 1.00 0.00 C ATOM 1311 C SER A 93 -8.654 6.088 5.697 1.00 0.00 C ATOM 1312 O SER A 93 -8.738 5.316 6.651 1.00 0.00 O ATOM 1313 CB SER A 93 -10.619 7.650 5.714 1.00 0.00 C ATOM 1314 OG SER A 93 -11.171 8.544 6.677 1.00 0.00 O ATOM 0 H SER A 93 -9.036 8.667 4.065 1.00 0.00 H new ATOM 0 HA SER A 93 -8.812 7.913 6.820 1.00 0.00 H new ATOM 0 HB2 SER A 93 -10.880 7.990 4.712 1.00 0.00 H new ATOM 0 HB3 SER A 93 -11.062 6.662 5.841 1.00 0.00 H new ATOM 0 HG SER A 93 -11.247 8.088 7.541 1.00 0.00 H new ATOM 1320 N LEU A 94 -8.189 5.755 4.501 1.00 0.00 N ATOM 1321 CA LEU A 94 -7.732 4.404 4.226 1.00 0.00 C ATOM 1322 C LEU A 94 -6.513 4.095 5.098 1.00 0.00 C ATOM 1323 O LEU A 94 -6.353 2.971 5.572 1.00 0.00 O ATOM 1324 CB LEU A 94 -7.479 4.218 2.728 1.00 0.00 C ATOM 1325 CG LEU A 94 -7.565 2.782 2.207 1.00 0.00 C ATOM 1326 CD1 LEU A 94 -6.170 2.193 1.990 1.00 0.00 C ATOM 1327 CD2 LEU A 94 -8.417 1.912 3.133 1.00 0.00 C ATOM 0 H LEU A 94 -8.119 6.398 3.712 1.00 0.00 H new ATOM 0 HA LEU A 94 -8.504 3.680 4.488 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -8.199 4.826 2.180 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.489 4.609 2.496 1.00 0.00 H new ATOM 0 HG LEU A 94 -8.061 2.800 1.237 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.260 1.172 1.620 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.629 2.797 1.261 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.625 2.190 2.934 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.461 0.897 2.739 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.973 1.896 4.128 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -9.425 2.323 3.192 1.00 0.00 H new ATOM 1339 N SER A 95 -5.685 5.113 5.283 1.00 0.00 N ATOM 1340 CA SER A 95 -4.486 4.964 6.090 1.00 0.00 C ATOM 1341 C SER A 95 -4.842 4.369 7.454 1.00 0.00 C ATOM 1342 O SER A 95 -3.994 3.775 8.117 1.00 0.00 O ATOM 1343 CB SER A 95 -3.771 6.306 6.267 1.00 0.00 C ATOM 1344 OG SER A 95 -4.573 7.249 6.972 1.00 0.00 O ATOM 0 H SER A 95 -5.821 6.044 4.888 1.00 0.00 H new ATOM 0 HA SER A 95 -3.808 4.286 5.572 1.00 0.00 H new ATOM 0 HB2 SER A 95 -2.836 6.151 6.806 1.00 0.00 H new ATOM 0 HB3 SER A 95 -3.512 6.710 5.289 1.00 0.00 H new ATOM 0 HG SER A 95 -5.444 7.332 6.531 1.00 0.00 H new ATOM 1350 N LEU A 96 -6.099 4.550 7.832 1.00 0.00 N ATOM 1351 CA LEU A 96 -6.579 4.039 9.105 1.00 0.00 C ATOM 1352 C LEU A 96 -6.865 2.541 8.973 1.00 0.00 C ATOM 1353 O LEU A 96 -6.453 1.911 8.000 1.00 0.00 O ATOM 1354 CB LEU A 96 -7.779 4.853 9.592 1.00 0.00 C ATOM 1355 CG LEU A 96 -7.608 6.374 9.576 1.00 0.00 C ATOM 1356 CD1 LEU A 96 -8.910 7.068 9.172 1.00 0.00 C ATOM 1357 CD2 LEU A 96 -7.082 6.880 10.921 1.00 0.00 C ATOM 0 H LEU A 96 -6.800 5.043 7.279 1.00 0.00 H new ATOM 0 HA LEU A 96 -5.814 4.152 9.873 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -8.641 4.597 8.975 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -8.013 4.544 10.611 1.00 0.00 H new ATOM 0 HG LEU A 96 -6.862 6.626 8.822 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -8.761 8.148 9.169 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -9.203 6.739 8.175 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -9.695 6.812 9.884 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -6.969 7.964 10.883 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -7.786 6.616 11.710 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -6.115 6.422 11.129 1.00 0.00 H new ATOM 1369 N ALA A 97 -7.568 2.016 9.965 1.00 0.00 N ATOM 1370 CA ALA A 97 -7.914 0.605 9.972 1.00 0.00 C ATOM 1371 C ALA A 97 -9.374 0.440 9.545 1.00 0.00 C ATOM 1372 O ALA A 97 -10.237 0.146 10.370 1.00 0.00 O ATOM 1373 CB ALA A 97 -7.643 0.019 11.359 1.00 0.00 C ATOM 0 H ALA A 97 -7.908 2.542 10.770 1.00 0.00 H new ATOM 0 HA ALA A 97 -7.298 0.056 9.260 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -7.903 -1.040 11.364 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.587 0.135 11.603 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -8.246 0.544 12.100 1.00 0.00 H new ATOM 1379 N VAL A 98 -9.606 0.638 8.255 1.00 0.00 N ATOM 1380 CA VAL A 98 -10.947 0.515 7.708 1.00 0.00 C ATOM 1381 C VAL A 98 -11.517 -0.858 8.072 1.00 0.00 C ATOM 1382 O VAL A 98 -10.780 -1.839 8.154 1.00 0.00 O ATOM 1383 CB VAL A 98 -10.923 0.771 6.200 1.00 0.00 C ATOM 1384 CG1 VAL A 98 -10.203 2.082 5.879 1.00 0.00 C ATOM 1385 CG2 VAL A 98 -10.284 -0.402 5.455 1.00 0.00 C ATOM 0 H VAL A 98 -8.888 0.883 7.573 1.00 0.00 H new ATOM 0 HA VAL A 98 -11.607 1.267 8.141 1.00 0.00 H new ATOM 0 HB VAL A 98 -11.954 0.862 5.859 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -10.200 2.241 4.801 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -10.719 2.909 6.366 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -9.176 2.031 6.241 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -10.280 -0.194 4.385 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -9.260 -0.539 5.802 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -10.857 -1.310 5.646 1.00 0.00 H new ATOM 1395 N PRO A 99 -12.860 -0.883 8.286 1.00 0.00 N ATOM 1396 CA PRO A 99 -13.538 -2.119 8.640 1.00 0.00 C ATOM 1397 C PRO A 99 -13.680 -3.034 7.422 1.00 0.00 C ATOM 1398 O PRO A 99 -13.330 -2.649 6.307 1.00 0.00 O ATOM 1399 CB PRO A 99 -14.876 -1.683 9.214 1.00 0.00 C ATOM 1400 CG PRO A 99 -15.090 -0.256 8.736 1.00 0.00 C ATOM 1401 CD PRO A 99 -13.765 0.259 8.198 1.00 0.00 C ATOM 0 HA PRO A 99 -12.982 -2.711 9.367 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -15.679 -2.335 8.870 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -14.869 -1.733 10.303 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -15.855 -0.224 7.960 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -15.440 0.373 9.555 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -13.864 0.608 7.170 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -13.399 1.101 8.786 1.00 0.00 H new ATOM 1409 N PRO A 100 -14.208 -4.260 7.682 1.00 0.00 N ATOM 1410 CA PRO A 100 -14.400 -5.233 6.620 1.00 0.00 C ATOM 1411 C PRO A 100 -15.602 -4.863 5.749 1.00 0.00 C ATOM 1412 O PRO A 100 -16.612 -4.375 6.253 1.00 0.00 O ATOM 1413 CB PRO A 100 -14.571 -6.565 7.333 1.00 0.00 C ATOM 1414 CG PRO A 100 -14.932 -6.225 8.770 1.00 0.00 C ATOM 1415 CD PRO A 100 -14.633 -4.751 8.990 1.00 0.00 C ATOM 0 HA PRO A 100 -13.559 -5.272 5.928 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -15.354 -7.161 6.864 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -13.654 -7.152 7.289 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -15.985 -6.433 8.958 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -14.357 -6.839 9.463 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -15.514 -4.217 9.346 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -13.852 -4.613 9.738 1.00 0.00 H new ATOM 1423 N PRO A 101 -15.448 -5.116 4.421 1.00 0.00 N ATOM 1424 CA PRO A 101 -16.509 -4.814 3.475 1.00 0.00 C ATOM 1425 C PRO A 101 -17.640 -5.840 3.574 1.00 0.00 C ATOM 1426 O PRO A 101 -17.714 -6.597 4.541 1.00 0.00 O ATOM 1427 CB PRO A 101 -15.832 -4.808 2.114 1.00 0.00 C ATOM 1428 CG PRO A 101 -14.523 -5.559 2.296 1.00 0.00 C ATOM 1429 CD PRO A 101 -14.266 -5.693 3.788 1.00 0.00 C ATOM 0 HA PRO A 101 -16.988 -3.855 3.672 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -16.458 -5.291 1.364 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -15.653 -3.789 1.771 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -14.579 -6.542 1.828 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -13.705 -5.023 1.814 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -14.133 -6.736 4.075 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -13.360 -5.163 4.083 1.00 0.00 H new ATOM 1437 N ARG A 102 -18.495 -5.831 2.561 1.00 0.00 N ATOM 1438 CA ARG A 102 -19.619 -6.751 2.523 1.00 0.00 C ATOM 1439 C ARG A 102 -19.300 -7.940 1.615 1.00 0.00 C ATOM 1440 O ARG A 102 -19.801 -9.043 1.832 1.00 0.00 O ATOM 1441 CB ARG A 102 -20.883 -6.054 2.015 1.00 0.00 C ATOM 1442 CG ARG A 102 -22.114 -6.512 2.799 1.00 0.00 C ATOM 1443 CD ARG A 102 -22.907 -7.558 2.013 1.00 0.00 C ATOM 1444 NE ARG A 102 -24.343 -7.198 1.998 1.00 0.00 N ATOM 1445 CZ ARG A 102 -25.148 -7.251 3.080 1.00 0.00 C ATOM 1446 NH1 ARG A 102 -24.664 -7.651 4.275 1.00 0.00 N ATOM 1447 NH2 ARG A 102 -26.416 -6.907 2.952 1.00 0.00 N ATOM 0 H ARG A 102 -18.432 -5.201 1.761 1.00 0.00 H new ATOM 0 HA ARG A 102 -19.795 -7.103 3.539 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -20.769 -4.974 2.108 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -21.021 -6.270 0.956 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -21.805 -6.929 3.757 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -22.751 -5.655 3.016 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -22.529 -7.622 0.993 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -22.775 -8.541 2.464 1.00 0.00 H new ATOM 0 HE ARG A 102 -24.749 -6.891 1.114 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -23.683 -7.916 4.365 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -25.279 -7.688 5.088 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -26.774 -6.607 2.045 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -27.038 -6.941 3.760 1.00 0.00 H new ATOM 1460 N PHE A 103 -18.469 -7.677 0.617 1.00 0.00 N ATOM 1461 CA PHE A 103 -18.078 -8.712 -0.324 1.00 0.00 C ATOM 1462 C PHE A 103 -17.880 -10.053 0.386 1.00 0.00 C ATOM 1463 O PHE A 103 -17.704 -10.094 1.603 1.00 0.00 O ATOM 1464 CB PHE A 103 -16.749 -8.275 -0.943 1.00 0.00 C ATOM 1465 CG PHE A 103 -16.728 -6.816 -1.406 1.00 0.00 C ATOM 1466 CD1 PHE A 103 -17.579 -6.400 -2.381 1.00 0.00 C ATOM 1467 CD2 PHE A 103 -15.858 -5.937 -0.841 1.00 0.00 C ATOM 1468 CE1 PHE A 103 -17.560 -5.046 -2.810 1.00 0.00 C ATOM 1469 CE2 PHE A 103 -15.839 -4.583 -1.270 1.00 0.00 C ATOM 1470 CZ PHE A 103 -16.690 -4.167 -2.245 1.00 0.00 C ATOM 0 H PHE A 103 -18.056 -6.761 0.440 1.00 0.00 H new ATOM 0 HA PHE A 103 -18.855 -8.842 -1.078 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -15.953 -8.425 -0.213 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -16.527 -8.919 -1.794 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -18.270 -7.099 -2.829 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -15.182 -6.268 -0.067 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -18.236 -4.715 -3.584 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -15.148 -3.884 -0.822 1.00 0.00 H new ATOM 0 HZ PHE A 103 -16.675 -3.138 -2.571 1.00 0.00 H new ATOM 1480 N HIS A 104 -17.914 -11.116 -0.404 1.00 0.00 N ATOM 1481 CA HIS A 104 -17.740 -12.454 0.134 1.00 0.00 C ATOM 1482 C HIS A 104 -16.253 -12.723 0.370 1.00 0.00 C ATOM 1483 O HIS A 104 -15.403 -11.933 -0.038 1.00 0.00 O ATOM 1484 CB HIS A 104 -18.393 -13.495 -0.777 1.00 0.00 C ATOM 1485 CG HIS A 104 -18.228 -14.918 -0.301 1.00 0.00 C ATOM 1486 ND1 HIS A 104 -19.027 -15.478 0.680 1.00 0.00 N ATOM 1487 CD2 HIS A 104 -17.348 -15.889 -0.682 1.00 0.00 C ATOM 1488 CE1 HIS A 104 -18.637 -16.730 0.874 1.00 0.00 C ATOM 1489 NE2 HIS A 104 -17.596 -16.982 0.029 1.00 0.00 N ATOM 0 H HIS A 104 -18.060 -11.078 -1.413 1.00 0.00 H new ATOM 0 HA HIS A 104 -18.245 -12.531 1.097 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -19.457 -13.272 -0.862 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -17.968 -13.406 -1.777 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -16.580 -15.786 -1.434 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -19.068 -17.428 1.577 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -17.091 -17.865 -0.044 1.00 0.00 H new ATOM 1497 N ASP A 105 -15.983 -13.840 1.029 1.00 0.00 N ATOM 1498 CA ASP A 105 -14.613 -14.223 1.325 1.00 0.00 C ATOM 1499 C ASP A 105 -13.916 -14.648 0.030 1.00 0.00 C ATOM 1500 O ASP A 105 -14.127 -15.757 -0.457 1.00 0.00 O ATOM 1501 CB ASP A 105 -14.569 -15.405 2.295 1.00 0.00 C ATOM 1502 CG ASP A 105 -13.707 -15.188 3.540 1.00 0.00 C ATOM 1503 OD1 ASP A 105 -14.058 -14.399 4.430 1.00 0.00 O ATOM 1504 OD2 ASP A 105 -12.617 -15.877 3.576 1.00 0.00 O ATOM 0 H ASP A 105 -16.690 -14.493 1.367 1.00 0.00 H new ATOM 0 HA ASP A 105 -14.113 -13.366 1.777 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -15.587 -15.634 2.611 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -14.197 -16.280 1.762 1.00 0.00 H new