USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 477 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 SER OG : rot -1:sc= 0.76 USER MOD Single : A 18 LYS NZ :NH3+ -134:sc= -0.181 (180deg=-1.78!) USER MOD Single : A 19 ASN : amide:sc= -0.115 K(o=-0.11,f=-0.96) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 109:sc= 0.667 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 42 ASN : amide:sc= -0.0232 X(o=-0.023,f=-0.19) USER MOD Single : A 43 ASN : amide:sc= -5.46! C(o=-5.5!,f=-7.4!) USER MOD Single : A 46 ASN : amide:sc=-0.00864 X(o=-0.0086,f=-0.068) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 50 SER OG : rot -88:sc= 0.248 USER MOD Single : A 53 TYR OH : rot 4:sc= -2.21 USER MOD Single : A 56 ASN : amide:sc= -0.361 K(o=-0.36,f=-3!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.109 K(o=-0.11,f=-1.9!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot -48:sc= 0.76 USER MOD Single : A 63 TYR OH : rot 120:sc= -0.0534 USER MOD Single : A 65 GLN : amide:sc= 0.0351 K(o=0.035,f=-1.1) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 104 N SER A 10 12.519 -7.268 0.206 1.00 0.00 N ATOM 105 CA SER A 10 12.317 -8.083 -0.980 1.00 0.00 C ATOM 106 C SER A 10 10.831 -8.121 -1.342 1.00 0.00 C ATOM 107 O SER A 10 9.981 -7.764 -0.527 1.00 0.00 O ATOM 108 CB SER A 10 12.849 -9.502 -0.770 1.00 0.00 C ATOM 109 OG SER A 10 13.382 -9.684 0.538 1.00 0.00 O ATOM 0 HA SER A 10 12.873 -7.634 -1.803 1.00 0.00 H new ATOM 0 HB2 SER A 10 12.045 -10.219 -0.937 1.00 0.00 H new ATOM 0 HB3 SER A 10 13.622 -9.712 -1.509 1.00 0.00 H new ATOM 0 HG SER A 10 13.309 -8.846 1.040 1.00 0.00 H new ATOM 115 N PRO A 11 10.556 -8.568 -2.596 1.00 0.00 N ATOM 116 CA PRO A 11 9.187 -8.657 -3.076 1.00 0.00 C ATOM 117 C PRO A 11 8.465 -9.854 -2.454 1.00 0.00 C ATOM 118 O PRO A 11 9.104 -10.761 -1.921 1.00 0.00 O ATOM 119 CB PRO A 11 9.306 -8.755 -4.588 1.00 0.00 C ATOM 120 CG PRO A 11 10.737 -9.184 -4.867 1.00 0.00 C ATOM 121 CD PRO A 11 11.537 -8.998 -3.588 1.00 0.00 C ATOM 0 HA PRO A 11 8.585 -7.794 -2.792 1.00 0.00 H new ATOM 0 HB2 PRO A 11 8.596 -9.478 -4.989 1.00 0.00 H new ATOM 0 HB3 PRO A 11 9.086 -7.797 -5.060 1.00 0.00 H new ATOM 0 HG2 PRO A 11 10.768 -10.225 -5.188 1.00 0.00 H new ATOM 0 HG3 PRO A 11 11.164 -8.588 -5.674 1.00 0.00 H new ATOM 0 HD2 PRO A 11 12.024 -9.926 -3.287 1.00 0.00 H new ATOM 0 HD3 PRO A 11 12.322 -8.253 -3.717 1.00 0.00 H new ATOM 129 N PRO A 12 7.109 -9.818 -2.544 1.00 0.00 N ATOM 130 CA PRO A 12 6.293 -10.889 -1.997 1.00 0.00 C ATOM 131 C PRO A 12 6.354 -12.133 -2.885 1.00 0.00 C ATOM 132 O PRO A 12 7.034 -12.136 -3.910 1.00 0.00 O ATOM 133 CB PRO A 12 4.895 -10.303 -1.890 1.00 0.00 C ATOM 134 CG PRO A 12 4.879 -9.091 -2.808 1.00 0.00 C ATOM 135 CD PRO A 12 6.319 -8.760 -3.168 1.00 0.00 C ATOM 0 HA PRO A 12 6.643 -11.229 -1.022 1.00 0.00 H new ATOM 0 HB2 PRO A 12 4.142 -11.031 -2.192 1.00 0.00 H new ATOM 0 HB3 PRO A 12 4.669 -10.018 -0.863 1.00 0.00 H new ATOM 0 HG2 PRO A 12 4.299 -9.301 -3.707 1.00 0.00 H new ATOM 0 HG3 PRO A 12 4.405 -8.243 -2.313 1.00 0.00 H new ATOM 0 HD2 PRO A 12 6.463 -8.743 -4.248 1.00 0.00 H new ATOM 0 HD3 PRO A 12 6.605 -7.778 -2.792 1.00 0.00 H new ATOM 143 N GLU A 13 5.633 -13.160 -2.460 1.00 0.00 N ATOM 144 CA GLU A 13 5.596 -14.407 -3.204 1.00 0.00 C ATOM 145 C GLU A 13 4.318 -14.488 -4.042 1.00 0.00 C ATOM 146 O GLU A 13 4.353 -14.923 -5.192 1.00 0.00 O ATOM 147 CB GLU A 13 5.712 -15.609 -2.265 1.00 0.00 C ATOM 148 CG GLU A 13 7.177 -15.935 -1.969 1.00 0.00 C ATOM 149 CD GLU A 13 7.340 -17.396 -1.545 1.00 0.00 C ATOM 150 OE1 GLU A 13 6.876 -18.265 -2.315 1.00 0.00 O ATOM 151 OE2 GLU A 13 7.924 -17.611 -0.461 1.00 0.00 O ATOM 0 H GLU A 13 5.070 -13.154 -1.610 1.00 0.00 H new ATOM 0 HA GLU A 13 6.452 -14.430 -3.879 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.187 -15.399 -1.333 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.227 -16.475 -2.716 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.782 -15.740 -2.854 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.546 -15.280 -1.180 1.00 0.00 H new ATOM 158 N ASP A 14 3.221 -14.061 -3.434 1.00 0.00 N ATOM 159 CA ASP A 14 1.935 -14.080 -4.110 1.00 0.00 C ATOM 160 C ASP A 14 1.941 -13.044 -5.236 1.00 0.00 C ATOM 161 O ASP A 14 1.875 -11.843 -4.979 1.00 0.00 O ATOM 162 CB ASP A 14 0.801 -13.724 -3.146 1.00 0.00 C ATOM 163 CG ASP A 14 0.046 -14.922 -2.566 1.00 0.00 C ATOM 164 OD1 ASP A 14 0.593 -15.535 -1.624 1.00 0.00 O ATOM 165 OD2 ASP A 14 -1.060 -15.197 -3.078 1.00 0.00 O ATOM 0 H ASP A 14 3.196 -13.700 -2.480 1.00 0.00 H new ATOM 0 HA ASP A 14 1.774 -15.085 -4.501 1.00 0.00 H new ATOM 0 HB2 ASP A 14 1.214 -13.140 -2.323 1.00 0.00 H new ATOM 0 HB3 ASP A 14 0.090 -13.083 -3.666 1.00 0.00 H new ATOM 170 N GLU A 15 2.020 -13.547 -6.459 1.00 0.00 N ATOM 171 CA GLU A 15 2.036 -12.680 -7.625 1.00 0.00 C ATOM 172 C GLU A 15 0.824 -11.745 -7.607 1.00 0.00 C ATOM 173 O GLU A 15 0.961 -10.542 -7.821 1.00 0.00 O ATOM 174 CB GLU A 15 2.078 -13.499 -8.917 1.00 0.00 C ATOM 175 CG GLU A 15 2.828 -12.747 -10.018 1.00 0.00 C ATOM 176 CD GLU A 15 2.786 -13.523 -11.337 1.00 0.00 C ATOM 177 OE1 GLU A 15 1.765 -13.386 -12.044 1.00 0.00 O ATOM 178 OE2 GLU A 15 3.777 -14.235 -11.607 1.00 0.00 O ATOM 0 H GLU A 15 2.074 -14.544 -6.668 1.00 0.00 H new ATOM 0 HA GLU A 15 2.940 -12.072 -7.590 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.564 -14.456 -8.729 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.062 -13.717 -9.247 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.384 -11.761 -10.157 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.864 -12.591 -9.716 1.00 0.00 H new ATOM 185 N GLU A 16 -0.334 -12.335 -7.351 1.00 0.00 N ATOM 186 CA GLU A 16 -1.569 -11.570 -7.303 1.00 0.00 C ATOM 187 C GLU A 16 -1.392 -10.332 -6.421 1.00 0.00 C ATOM 188 O GLU A 16 -2.054 -9.317 -6.630 1.00 0.00 O ATOM 189 CB GLU A 16 -2.730 -12.435 -6.808 1.00 0.00 C ATOM 190 CG GLU A 16 -3.446 -13.112 -7.978 1.00 0.00 C ATOM 191 CD GLU A 16 -4.757 -13.756 -7.520 1.00 0.00 C ATOM 192 OE1 GLU A 16 -5.577 -13.018 -6.933 1.00 0.00 O ATOM 193 OE2 GLU A 16 -4.908 -14.972 -7.767 1.00 0.00 O ATOM 0 H GLU A 16 -0.444 -13.334 -7.175 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.810 -11.240 -8.314 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.356 -13.192 -6.119 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.436 -11.819 -6.252 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.650 -12.378 -8.758 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.797 -13.871 -8.416 1.00 0.00 H new ATOM 200 N ALA A 17 -0.496 -10.457 -5.453 1.00 0.00 N ATOM 201 CA ALA A 17 -0.224 -9.361 -4.539 1.00 0.00 C ATOM 202 C ALA A 17 0.671 -8.333 -5.233 1.00 0.00 C ATOM 203 O ALA A 17 0.321 -7.157 -5.318 1.00 0.00 O ATOM 204 CB ALA A 17 0.405 -9.910 -3.256 1.00 0.00 C ATOM 0 H ALA A 17 0.051 -11.301 -5.282 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.149 -8.857 -4.259 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.609 -9.088 -2.570 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.283 -10.613 -2.786 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.337 -10.421 -3.497 1.00 0.00 H new ATOM 210 N LYS A 18 1.809 -8.814 -5.713 1.00 0.00 N ATOM 211 CA LYS A 18 2.757 -7.952 -6.397 1.00 0.00 C ATOM 212 C LYS A 18 1.995 -6.976 -7.296 1.00 0.00 C ATOM 213 O LYS A 18 2.451 -5.859 -7.534 1.00 0.00 O ATOM 214 CB LYS A 18 3.800 -8.787 -7.142 1.00 0.00 C ATOM 215 CG LYS A 18 5.218 -8.318 -6.807 1.00 0.00 C ATOM 216 CD LYS A 18 6.252 -9.374 -7.203 1.00 0.00 C ATOM 217 CE LYS A 18 6.576 -9.292 -8.696 1.00 0.00 C ATOM 218 NZ LYS A 18 5.537 -9.983 -9.491 1.00 0.00 N ATOM 0 H LYS A 18 2.095 -9.790 -5.641 1.00 0.00 H new ATOM 0 HA LYS A 18 3.316 -7.354 -5.677 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.688 -9.838 -6.875 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.632 -8.711 -8.216 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.429 -7.384 -7.328 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.294 -8.112 -5.739 1.00 0.00 H new ATOM 0 HD2 LYS A 18 7.163 -9.232 -6.621 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.872 -10.367 -6.964 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.643 -8.248 -9.003 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.549 -9.743 -8.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 5.991 -10.589 -10.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 4.951 -10.568 -8.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.938 -9.278 -9.966 1.00 0.00 H new ATOM 232 N ASN A 19 0.846 -7.434 -7.772 1.00 0.00 N ATOM 233 CA ASN A 19 0.016 -6.615 -8.640 1.00 0.00 C ATOM 234 C ASN A 19 -0.930 -5.770 -7.785 1.00 0.00 C ATOM 235 O ASN A 19 -0.978 -4.549 -7.928 1.00 0.00 O ATOM 236 CB ASN A 19 -0.835 -7.484 -9.568 1.00 0.00 C ATOM 237 CG ASN A 19 -0.749 -6.991 -11.014 1.00 0.00 C ATOM 238 OD1 ASN A 19 -0.465 -5.836 -11.286 1.00 0.00 O ATOM 239 ND2 ASN A 19 -1.009 -7.927 -11.921 1.00 0.00 N ATOM 0 H ASN A 19 0.470 -8.361 -7.573 1.00 0.00 H new ATOM 0 HA ASN A 19 0.673 -5.984 -9.238 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.498 -8.519 -9.513 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.873 -7.468 -9.236 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.977 -7.697 -12.914 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -1.240 -8.875 -11.624 1.00 0.00 H new ATOM 246 N LEU A 20 -1.659 -6.453 -6.914 1.00 0.00 N ATOM 247 CA LEU A 20 -2.601 -5.780 -6.036 1.00 0.00 C ATOM 248 C LEU A 20 -1.884 -4.646 -5.299 1.00 0.00 C ATOM 249 O LEU A 20 -2.286 -3.488 -5.394 1.00 0.00 O ATOM 250 CB LEU A 20 -3.278 -6.787 -5.104 1.00 0.00 C ATOM 251 CG LEU A 20 -4.482 -7.532 -5.684 1.00 0.00 C ATOM 252 CD1 LEU A 20 -5.208 -8.329 -4.598 1.00 0.00 C ATOM 253 CD2 LEU A 20 -5.422 -6.571 -6.415 1.00 0.00 C ATOM 0 H LEU A 20 -1.616 -7.465 -6.798 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.405 -5.326 -6.616 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.535 -7.522 -4.795 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.600 -6.261 -4.205 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.118 -8.248 -6.421 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -6.060 -8.849 -5.036 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.524 -9.057 -4.162 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.559 -7.650 -3.821 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.269 -7.126 -6.817 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.782 -5.814 -5.718 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.885 -6.087 -7.231 1.00 0.00 H new ATOM 265 N ALA A 21 -0.835 -5.020 -4.582 1.00 0.00 N ATOM 266 CA ALA A 21 -0.059 -4.049 -3.829 1.00 0.00 C ATOM 267 C ALA A 21 0.171 -2.807 -4.693 1.00 0.00 C ATOM 268 O ALA A 21 -0.335 -1.730 -4.383 1.00 0.00 O ATOM 269 CB ALA A 21 1.252 -4.690 -3.369 1.00 0.00 C ATOM 0 H ALA A 21 -0.504 -5.982 -4.506 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.599 -3.734 -2.936 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.834 -3.962 -2.804 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.034 -5.550 -2.736 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.823 -5.015 -4.239 1.00 0.00 H new ATOM 275 N GLU A 22 0.935 -2.999 -5.758 1.00 0.00 N ATOM 276 CA GLU A 22 1.238 -1.907 -6.668 1.00 0.00 C ATOM 277 C GLU A 22 -0.038 -1.140 -7.019 1.00 0.00 C ATOM 278 O GLU A 22 -0.175 0.033 -6.676 1.00 0.00 O ATOM 279 CB GLU A 22 1.933 -2.423 -7.930 1.00 0.00 C ATOM 280 CG GLU A 22 3.133 -1.545 -8.292 1.00 0.00 C ATOM 281 CD GLU A 22 2.994 -0.983 -9.708 1.00 0.00 C ATOM 282 OE1 GLU A 22 1.941 -0.363 -9.972 1.00 0.00 O ATOM 283 OE2 GLU A 22 3.943 -1.188 -10.496 1.00 0.00 O ATOM 0 H GLU A 22 1.353 -3.894 -6.011 1.00 0.00 H new ATOM 0 HA GLU A 22 1.924 -1.223 -6.169 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.263 -3.450 -7.774 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.225 -2.438 -8.759 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.217 -0.725 -7.578 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.051 -2.128 -8.217 1.00 0.00 H new ATOM 290 N LYS A 23 -0.939 -1.833 -7.699 1.00 0.00 N ATOM 291 CA LYS A 23 -2.199 -1.231 -8.101 1.00 0.00 C ATOM 292 C LYS A 23 -2.769 -0.424 -6.933 1.00 0.00 C ATOM 293 O LYS A 23 -2.887 0.798 -7.017 1.00 0.00 O ATOM 294 CB LYS A 23 -3.156 -2.298 -8.636 1.00 0.00 C ATOM 295 CG LYS A 23 -3.201 -2.278 -10.165 1.00 0.00 C ATOM 296 CD LYS A 23 -3.440 -3.682 -10.726 1.00 0.00 C ATOM 297 CE LYS A 23 -4.932 -3.937 -10.948 1.00 0.00 C ATOM 298 NZ LYS A 23 -5.244 -5.372 -10.770 1.00 0.00 N ATOM 0 H LYS A 23 -0.822 -2.806 -7.982 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.043 -0.534 -8.924 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.839 -3.282 -8.291 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.156 -2.128 -8.237 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.994 -1.609 -10.500 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.263 -1.882 -10.555 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -2.904 -3.797 -11.668 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.039 -4.426 -10.038 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.517 -3.342 -10.247 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.216 -3.619 -11.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.261 -5.528 -10.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.700 -5.933 -11.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.991 -5.665 -9.805 1.00 0.00 H new ATOM 312 N LEU A 24 -3.108 -1.139 -5.871 1.00 0.00 N ATOM 313 CA LEU A 24 -3.663 -0.505 -4.687 1.00 0.00 C ATOM 314 C LEU A 24 -2.920 0.806 -4.421 1.00 0.00 C ATOM 315 O LEU A 24 -3.539 1.862 -4.307 1.00 0.00 O ATOM 316 CB LEU A 24 -3.647 -1.473 -3.503 1.00 0.00 C ATOM 317 CG LEU A 24 -4.875 -1.439 -2.591 1.00 0.00 C ATOM 318 CD1 LEU A 24 -4.832 -0.228 -1.658 1.00 0.00 C ATOM 319 CD2 LEU A 24 -6.167 -1.485 -3.410 1.00 0.00 C ATOM 0 H LEU A 24 -3.009 -2.152 -5.805 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.711 -0.251 -4.846 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.534 -2.486 -3.889 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.765 -1.262 -2.899 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.859 -2.330 -1.963 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.716 -0.228 -1.021 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.937 -0.279 -1.037 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.812 0.687 -2.250 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.025 -1.460 -2.738 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.205 -0.625 -4.079 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.193 -2.403 -3.997 1.00 0.00 H new ATOM 331 N ALA A 25 -1.603 0.694 -4.328 1.00 0.00 N ATOM 332 CA ALA A 25 -0.769 1.857 -4.077 1.00 0.00 C ATOM 333 C ALA A 25 -0.988 2.885 -5.188 1.00 0.00 C ATOM 334 O ALA A 25 -1.396 4.015 -4.922 1.00 0.00 O ATOM 335 CB ALA A 25 0.694 1.422 -3.965 1.00 0.00 C ATOM 0 H ALA A 25 -1.093 -0.184 -4.422 1.00 0.00 H new ATOM 0 HA ALA A 25 -1.042 2.328 -3.133 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.320 2.295 -3.777 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.801 0.714 -3.143 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.005 0.947 -4.896 1.00 0.00 H new ATOM 341 N ARG A 26 -0.706 2.458 -6.410 1.00 0.00 N ATOM 342 CA ARG A 26 -0.867 3.328 -7.563 1.00 0.00 C ATOM 343 C ARG A 26 -2.220 4.040 -7.506 1.00 0.00 C ATOM 344 O ARG A 26 -2.335 5.196 -7.909 1.00 0.00 O ATOM 345 CB ARG A 26 -0.770 2.536 -8.869 1.00 0.00 C ATOM 346 CG ARG A 26 0.459 2.959 -9.676 1.00 0.00 C ATOM 347 CD ARG A 26 0.050 3.720 -10.938 1.00 0.00 C ATOM 348 NE ARG A 26 0.844 3.247 -12.094 1.00 0.00 N ATOM 349 CZ ARG A 26 0.769 3.774 -13.324 1.00 0.00 C ATOM 350 NH1 ARG A 26 -0.064 4.796 -13.565 1.00 0.00 N ATOM 351 NH2 ARG A 26 1.527 3.280 -14.312 1.00 0.00 N ATOM 0 H ARG A 26 -0.367 1.521 -6.627 1.00 0.00 H new ATOM 0 HA ARG A 26 -0.064 4.064 -7.537 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -0.716 1.470 -8.649 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.671 2.694 -9.462 1.00 0.00 H new ATOM 0 HG2 ARG A 26 1.104 3.587 -9.061 1.00 0.00 H new ATOM 0 HG3 ARG A 26 1.039 2.078 -9.950 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -1.013 3.574 -11.132 1.00 0.00 H new ATOM 0 HD3 ARG A 26 0.204 4.789 -10.794 1.00 0.00 H new ATOM 0 HE ARG A 26 1.489 2.471 -11.945 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -0.641 5.172 -12.812 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -0.121 5.197 -14.501 1.00 0.00 H new ATOM 0 HH21 ARG A 26 2.161 2.503 -14.128 1.00 0.00 H new ATOM 0 HH22 ARG A 26 1.470 3.681 -15.248 1.00 0.00 H new ATOM 365 N PHE A 27 -3.211 3.320 -7.001 1.00 0.00 N ATOM 366 CA PHE A 27 -4.552 3.868 -6.886 1.00 0.00 C ATOM 367 C PHE A 27 -4.644 4.849 -5.715 1.00 0.00 C ATOM 368 O PHE A 27 -4.895 6.037 -5.914 1.00 0.00 O ATOM 369 CB PHE A 27 -5.495 2.692 -6.626 1.00 0.00 C ATOM 370 CG PHE A 27 -6.859 3.101 -6.066 1.00 0.00 C ATOM 371 CD1 PHE A 27 -7.644 3.972 -6.754 1.00 0.00 C ATOM 372 CD2 PHE A 27 -7.287 2.592 -4.879 1.00 0.00 C ATOM 373 CE1 PHE A 27 -8.910 4.351 -6.234 1.00 0.00 C ATOM 374 CE2 PHE A 27 -8.553 2.971 -4.359 1.00 0.00 C ATOM 375 CZ PHE A 27 -9.337 3.843 -5.047 1.00 0.00 C ATOM 0 H PHE A 27 -3.112 2.361 -6.667 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.814 4.406 -7.797 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -5.645 2.147 -7.558 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -5.018 2.005 -5.927 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.305 4.376 -7.696 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.664 1.900 -4.332 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -9.534 5.043 -6.781 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -8.893 2.567 -3.417 1.00 0.00 H new ATOM 0 HZ PHE A 27 -10.299 4.132 -4.651 1.00 0.00 H new ATOM 385 N ILE A 28 -4.436 4.316 -4.520 1.00 0.00 N ATOM 386 CA ILE A 28 -4.493 5.129 -3.318 1.00 0.00 C ATOM 387 C ILE A 28 -3.591 6.353 -3.492 1.00 0.00 C ATOM 388 O ILE A 28 -3.916 7.441 -3.019 1.00 0.00 O ATOM 389 CB ILE A 28 -4.157 4.288 -2.085 1.00 0.00 C ATOM 390 CG1 ILE A 28 -5.313 3.352 -1.728 1.00 0.00 C ATOM 391 CG2 ILE A 28 -3.755 5.177 -0.907 1.00 0.00 C ATOM 392 CD1 ILE A 28 -4.970 2.496 -0.507 1.00 0.00 C ATOM 0 H ILE A 28 -4.228 3.331 -4.359 1.00 0.00 H new ATOM 0 HA ILE A 28 -5.506 5.499 -3.156 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.297 3.662 -2.323 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -6.210 3.937 -1.526 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.538 2.707 -2.577 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.521 4.554 -0.044 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.878 5.765 -1.178 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.579 5.847 -0.659 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.809 1.840 -0.275 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.087 1.894 -0.721 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.769 3.144 0.347 1.00 0.00 H new ATOM 404 N ALA A 29 -2.475 6.133 -4.172 1.00 0.00 N ATOM 405 CA ALA A 29 -1.524 7.204 -4.414 1.00 0.00 C ATOM 406 C ALA A 29 -2.166 8.256 -5.321 1.00 0.00 C ATOM 407 O ALA A 29 -1.776 9.422 -5.299 1.00 0.00 O ATOM 408 CB ALA A 29 -0.241 6.623 -5.012 1.00 0.00 C ATOM 0 H ALA A 29 -2.209 5.229 -4.563 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.254 7.695 -3.479 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.472 7.427 -5.193 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.192 5.904 -4.316 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.472 6.124 -5.953 1.00 0.00 H new ATOM 414 N ASP A 30 -3.140 7.805 -6.099 1.00 0.00 N ATOM 415 CA ASP A 30 -3.840 8.692 -7.012 1.00 0.00 C ATOM 416 C ASP A 30 -4.884 9.496 -6.235 1.00 0.00 C ATOM 417 O ASP A 30 -5.449 10.455 -6.758 1.00 0.00 O ATOM 418 CB ASP A 30 -4.566 7.900 -8.101 1.00 0.00 C ATOM 419 CG ASP A 30 -4.315 8.386 -9.530 1.00 0.00 C ATOM 420 OD1 ASP A 30 -3.250 9.005 -9.740 1.00 0.00 O ATOM 421 OD2 ASP A 30 -5.194 8.126 -10.380 1.00 0.00 O ATOM 0 H ASP A 30 -3.460 6.837 -6.115 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.104 9.349 -7.475 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.265 6.855 -8.031 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.637 7.937 -7.903 1.00 0.00 H new ATOM 426 N GLY A 31 -5.110 9.074 -4.999 1.00 0.00 N ATOM 427 CA GLY A 31 -6.077 9.742 -4.146 1.00 0.00 C ATOM 428 C GLY A 31 -5.378 10.501 -3.015 1.00 0.00 C ATOM 429 O GLY A 31 -4.571 11.393 -3.269 1.00 0.00 O ATOM 0 H GLY A 31 -4.640 8.278 -4.569 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.674 10.435 -4.739 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.765 9.008 -3.726 1.00 0.00 H new ATOM 433 N GLY A 32 -5.715 10.118 -1.792 1.00 0.00 N ATOM 434 CA GLY A 32 -5.130 10.752 -0.623 1.00 0.00 C ATOM 435 C GLY A 32 -5.666 10.124 0.666 1.00 0.00 C ATOM 436 O GLY A 32 -5.788 8.904 0.762 1.00 0.00 O ATOM 0 H GLY A 32 -6.385 9.377 -1.586 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.045 10.654 -0.656 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.354 11.819 -0.633 1.00 0.00 H new ATOM 440 N PRO A 33 -5.978 11.009 1.650 1.00 0.00 N ATOM 441 CA PRO A 33 -6.498 10.555 2.928 1.00 0.00 C ATOM 442 C PRO A 33 -7.960 10.124 2.804 1.00 0.00 C ATOM 443 O PRO A 33 -8.563 9.671 3.776 1.00 0.00 O ATOM 444 CB PRO A 33 -6.303 11.730 3.872 1.00 0.00 C ATOM 445 CG PRO A 33 -6.113 12.950 2.986 1.00 0.00 C ATOM 446 CD PRO A 33 -5.846 12.461 1.571 1.00 0.00 C ATOM 0 HA PRO A 33 -5.981 9.671 3.302 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -7.166 11.853 4.526 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -5.436 11.575 4.514 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -7.001 13.582 3.010 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -5.281 13.556 3.344 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -6.559 12.886 0.864 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -4.851 12.750 1.233 1.00 0.00 H new ATOM 454 N GLU A 34 -8.489 10.279 1.599 1.00 0.00 N ATOM 455 CA GLU A 34 -9.870 9.912 1.335 1.00 0.00 C ATOM 456 C GLU A 34 -9.942 8.495 0.761 1.00 0.00 C ATOM 457 O GLU A 34 -10.751 7.682 1.206 1.00 0.00 O ATOM 458 CB GLU A 34 -10.535 10.919 0.394 1.00 0.00 C ATOM 459 CG GLU A 34 -11.910 11.335 0.920 1.00 0.00 C ATOM 460 CD GLU A 34 -12.428 12.572 0.183 1.00 0.00 C ATOM 461 OE1 GLU A 34 -11.905 13.668 0.479 1.00 0.00 O ATOM 462 OE2 GLU A 34 -13.334 12.394 -0.659 1.00 0.00 O ATOM 0 H GLU A 34 -7.986 10.654 0.795 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.417 9.930 2.278 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.900 11.799 0.290 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.639 10.481 -0.599 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -12.614 10.512 0.797 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -11.847 11.543 1.988 1.00 0.00 H new ATOM 469 N VAL A 35 -9.085 8.243 -0.217 1.00 0.00 N ATOM 470 CA VAL A 35 -9.041 6.939 -0.856 1.00 0.00 C ATOM 471 C VAL A 35 -8.596 5.890 0.165 1.00 0.00 C ATOM 472 O VAL A 35 -9.139 4.787 0.205 1.00 0.00 O ATOM 473 CB VAL A 35 -8.140 6.991 -2.091 1.00 0.00 C ATOM 474 CG1 VAL A 35 -6.663 6.943 -1.695 1.00 0.00 C ATOM 475 CG2 VAL A 35 -8.483 5.865 -3.069 1.00 0.00 C ATOM 0 H VAL A 35 -8.415 8.920 -0.583 1.00 0.00 H new ATOM 0 HA VAL A 35 -10.033 6.652 -1.206 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.320 7.940 -2.597 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.044 6.981 -2.592 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.430 7.795 -1.056 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.461 6.018 -1.154 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.828 5.925 -3.938 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.346 4.902 -2.577 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.520 5.965 -3.389 1.00 0.00 H new ATOM 485 N GLU A 36 -7.611 6.271 0.966 1.00 0.00 N ATOM 486 CA GLU A 36 -7.086 5.378 1.984 1.00 0.00 C ATOM 487 C GLU A 36 -8.178 5.030 2.999 1.00 0.00 C ATOM 488 O GLU A 36 -8.024 4.097 3.785 1.00 0.00 O ATOM 489 CB GLU A 36 -5.869 5.992 2.678 1.00 0.00 C ATOM 490 CG GLU A 36 -6.291 6.833 3.884 1.00 0.00 C ATOM 491 CD GLU A 36 -5.138 7.717 4.366 1.00 0.00 C ATOM 492 OE1 GLU A 36 -4.394 8.207 3.490 1.00 0.00 O ATOM 493 OE2 GLU A 36 -5.028 7.882 5.600 1.00 0.00 O ATOM 0 H GLU A 36 -7.163 7.187 0.930 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.760 4.458 1.499 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -5.193 5.201 3.001 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.318 6.613 1.972 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.145 7.456 3.617 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.615 6.178 4.693 1.00 0.00 H new ATOM 500 N THR A 37 -9.255 5.799 2.948 1.00 0.00 N ATOM 501 CA THR A 37 -10.372 5.584 3.852 1.00 0.00 C ATOM 502 C THR A 37 -11.410 4.664 3.208 1.00 0.00 C ATOM 503 O THR A 37 -11.787 3.646 3.787 1.00 0.00 O ATOM 504 CB THR A 37 -10.932 6.953 4.245 1.00 0.00 C ATOM 505 OG1 THR A 37 -9.958 7.484 5.139 1.00 0.00 O ATOM 506 CG2 THR A 37 -12.199 6.844 5.096 1.00 0.00 C ATOM 0 H THR A 37 -9.378 6.572 2.294 1.00 0.00 H new ATOM 0 HA THR A 37 -10.053 5.074 4.761 1.00 0.00 H new ATOM 0 HB THR A 37 -11.147 7.529 3.345 1.00 0.00 H new ATOM 0 HG1 THR A 37 -9.478 8.217 4.701 1.00 0.00 H new ATOM 0 HG21 THR A 37 -12.555 7.843 5.348 1.00 0.00 H new ATOM 0 HG22 THR A 37 -12.969 6.314 4.535 1.00 0.00 H new ATOM 0 HG23 THR A 37 -11.976 6.297 6.012 1.00 0.00 H new ATOM 514 N ILE A 38 -11.844 5.055 2.019 1.00 0.00 N ATOM 515 CA ILE A 38 -12.832 4.278 1.290 1.00 0.00 C ATOM 516 C ILE A 38 -12.187 2.986 0.785 1.00 0.00 C ATOM 517 O ILE A 38 -12.758 1.906 0.927 1.00 0.00 O ATOM 518 CB ILE A 38 -13.467 5.122 0.183 1.00 0.00 C ATOM 519 CG1 ILE A 38 -14.304 6.259 0.772 1.00 0.00 C ATOM 520 CG2 ILE A 38 -14.280 4.248 -0.774 1.00 0.00 C ATOM 521 CD1 ILE A 38 -13.510 7.566 0.802 1.00 0.00 C ATOM 0 H ILE A 38 -11.529 5.900 1.542 1.00 0.00 H new ATOM 0 HA ILE A 38 -13.651 3.989 1.949 1.00 0.00 H new ATOM 0 HB ILE A 38 -12.667 5.580 -0.399 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -15.209 6.393 0.180 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -14.619 5.998 1.782 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -14.721 4.872 -1.551 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -13.627 3.505 -1.232 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -15.072 3.743 -0.221 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -14.128 8.358 1.225 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -12.618 7.436 1.415 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -13.217 7.837 -0.212 1.00 0.00 H new ATOM 533 N ALA A 39 -11.005 3.140 0.206 1.00 0.00 N ATOM 534 CA ALA A 39 -10.276 1.999 -0.321 1.00 0.00 C ATOM 535 C ALA A 39 -10.069 0.972 0.794 1.00 0.00 C ATOM 536 O ALA A 39 -10.221 -0.229 0.572 1.00 0.00 O ATOM 537 CB ALA A 39 -8.954 2.473 -0.929 1.00 0.00 C ATOM 0 H ALA A 39 -10.534 4.037 0.090 1.00 0.00 H new ATOM 0 HA ALA A 39 -10.845 1.514 -1.115 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.408 1.617 -1.324 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -9.156 3.178 -1.735 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.355 2.963 -0.161 1.00 0.00 H new ATOM 543 N LEU A 40 -9.726 1.481 1.968 1.00 0.00 N ATOM 544 CA LEU A 40 -9.497 0.623 3.117 1.00 0.00 C ATOM 545 C LEU A 40 -10.840 0.103 3.636 1.00 0.00 C ATOM 546 O LEU A 40 -10.953 -1.060 4.019 1.00 0.00 O ATOM 547 CB LEU A 40 -8.671 1.355 4.177 1.00 0.00 C ATOM 548 CG LEU A 40 -7.206 1.619 3.821 1.00 0.00 C ATOM 549 CD1 LEU A 40 -6.493 2.363 4.952 1.00 0.00 C ATOM 550 CD2 LEU A 40 -6.490 0.319 3.449 1.00 0.00 C ATOM 0 H LEU A 40 -9.601 2.477 2.148 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.906 -0.247 2.830 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.151 2.311 4.387 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.701 0.773 5.098 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.178 2.265 2.943 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.454 2.538 4.674 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.988 3.318 5.128 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.529 1.763 5.861 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.451 0.534 3.200 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.526 -0.370 4.293 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.982 -0.134 2.589 1.00 0.00 H new ATOM 562 N GLN A 41 -11.824 0.990 3.630 1.00 0.00 N ATOM 563 CA GLN A 41 -13.154 0.635 4.095 1.00 0.00 C ATOM 564 C GLN A 41 -13.745 -0.470 3.218 1.00 0.00 C ATOM 565 O GLN A 41 -14.524 -1.295 3.694 1.00 0.00 O ATOM 566 CB GLN A 41 -14.070 1.861 4.123 1.00 0.00 C ATOM 567 CG GLN A 41 -14.167 2.439 5.536 1.00 0.00 C ATOM 568 CD GLN A 41 -15.385 1.879 6.275 1.00 0.00 C ATOM 569 OE1 GLN A 41 -15.792 0.746 6.083 1.00 0.00 O ATOM 570 NE2 GLN A 41 -15.941 2.736 7.128 1.00 0.00 N ATOM 0 H GLN A 41 -11.727 1.954 3.310 1.00 0.00 H new ATOM 0 HA GLN A 41 -13.073 0.259 5.115 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -13.688 2.621 3.441 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -15.064 1.585 3.770 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -13.260 2.203 6.092 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -14.236 3.526 5.484 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -15.549 3.671 7.240 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -16.759 2.458 7.670 1.00 0.00 H new ATOM 579 N ASN A 42 -13.352 -0.452 1.953 1.00 0.00 N ATOM 580 CA ASN A 42 -13.833 -1.443 1.005 1.00 0.00 C ATOM 581 C ASN A 42 -12.946 -2.688 1.081 1.00 0.00 C ATOM 582 O ASN A 42 -13.412 -3.802 0.846 1.00 0.00 O ATOM 583 CB ASN A 42 -13.777 -0.909 -0.427 1.00 0.00 C ATOM 584 CG ASN A 42 -15.177 -0.568 -0.941 1.00 0.00 C ATOM 585 OD1 ASN A 42 -16.111 -1.346 -0.835 1.00 0.00 O ATOM 586 ND2 ASN A 42 -15.270 0.634 -1.502 1.00 0.00 N ATOM 0 H ASN A 42 -12.706 0.233 1.562 1.00 0.00 H new ATOM 0 HA ASN A 42 -14.866 -1.680 1.261 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -13.146 -0.021 -0.463 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -13.318 -1.653 -1.078 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -16.163 0.954 -1.876 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -14.448 1.236 -1.558 1.00 0.00 H new ATOM 593 N ASN A 43 -11.684 -2.456 1.409 1.00 0.00 N ATOM 594 CA ASN A 43 -10.728 -3.545 1.519 1.00 0.00 C ATOM 595 C ASN A 43 -10.846 -4.185 2.904 1.00 0.00 C ATOM 596 O ASN A 43 -10.175 -5.174 3.194 1.00 0.00 O ATOM 597 CB ASN A 43 -9.294 -3.037 1.354 1.00 0.00 C ATOM 598 CG ASN A 43 -9.066 -2.486 -0.056 1.00 0.00 C ATOM 599 OD1 ASN A 43 -9.769 -2.812 -0.998 1.00 0.00 O ATOM 600 ND2 ASN A 43 -8.048 -1.636 -0.146 1.00 0.00 N ATOM 0 H ASN A 43 -11.301 -1.531 1.602 1.00 0.00 H new ATOM 0 HA ASN A 43 -10.948 -4.267 0.733 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -9.093 -2.258 2.090 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -8.592 -3.848 1.549 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -7.815 -1.213 -1.044 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -7.500 -1.407 0.683 1.00 0.00 H new ATOM 607 N ARG A 44 -11.704 -3.594 3.722 1.00 0.00 N ATOM 608 CA ARG A 44 -11.919 -4.094 5.069 1.00 0.00 C ATOM 609 C ARG A 44 -12.355 -5.560 5.028 1.00 0.00 C ATOM 610 O ARG A 44 -11.682 -6.427 5.585 1.00 0.00 O ATOM 611 CB ARG A 44 -12.985 -3.272 5.798 1.00 0.00 C ATOM 612 CG ARG A 44 -12.782 -3.334 7.314 1.00 0.00 C ATOM 613 CD ARG A 44 -13.755 -4.325 7.957 1.00 0.00 C ATOM 614 NE ARG A 44 -13.084 -5.047 9.061 1.00 0.00 N ATOM 615 CZ ARG A 44 -12.877 -4.531 10.280 1.00 0.00 C ATOM 616 NH1 ARG A 44 -13.287 -3.286 10.559 1.00 0.00 N ATOM 617 NH2 ARG A 44 -12.260 -5.259 11.220 1.00 0.00 N ATOM 0 H ARG A 44 -12.259 -2.773 3.478 1.00 0.00 H new ATOM 0 HA ARG A 44 -10.976 -4.007 5.609 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -12.942 -2.235 5.464 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -13.976 -3.648 5.544 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -11.757 -3.630 7.535 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -12.928 -2.344 7.745 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -14.629 -3.796 8.336 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -14.111 -5.035 7.210 1.00 0.00 H new ATOM 0 HE ARG A 44 -12.759 -5.997 8.883 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -13.757 -2.731 9.843 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -13.129 -2.893 11.487 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -11.948 -6.207 11.008 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -12.103 -4.866 12.148 1.00 0.00 H new ATOM 631 N GLU A 45 -13.478 -5.792 4.364 1.00 0.00 N ATOM 632 CA GLU A 45 -14.011 -7.138 4.244 1.00 0.00 C ATOM 633 C GLU A 45 -13.170 -7.956 3.261 1.00 0.00 C ATOM 634 O GLU A 45 -12.795 -9.090 3.553 1.00 0.00 O ATOM 635 CB GLU A 45 -15.480 -7.110 3.817 1.00 0.00 C ATOM 636 CG GLU A 45 -15.636 -6.488 2.428 1.00 0.00 C ATOM 637 CD GLU A 45 -17.112 -6.288 2.079 1.00 0.00 C ATOM 638 OE1 GLU A 45 -17.902 -6.116 3.033 1.00 0.00 O ATOM 639 OE2 GLU A 45 -17.417 -6.312 0.867 1.00 0.00 O ATOM 0 H GLU A 45 -14.033 -5.071 3.904 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.960 -7.617 5.222 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.880 -8.124 3.812 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -16.062 -6.541 4.542 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.118 -5.530 2.395 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.166 -7.130 1.683 1.00 0.00 H new ATOM 646 N ASN A 46 -12.899 -7.348 2.115 1.00 0.00 N ATOM 647 CA ASN A 46 -12.110 -8.006 1.087 1.00 0.00 C ATOM 648 C ASN A 46 -10.860 -8.617 1.723 1.00 0.00 C ATOM 649 O ASN A 46 -10.171 -7.960 2.502 1.00 0.00 O ATOM 650 CB ASN A 46 -11.658 -7.009 0.018 1.00 0.00 C ATOM 651 CG ASN A 46 -12.216 -7.387 -1.355 1.00 0.00 C ATOM 652 OD1 ASN A 46 -12.040 -8.491 -1.843 1.00 0.00 O ATOM 653 ND2 ASN A 46 -12.898 -6.411 -1.949 1.00 0.00 N ATOM 0 H ASN A 46 -13.212 -6.407 1.876 1.00 0.00 H new ATOM 0 HA ASN A 46 -12.730 -8.774 0.625 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -11.991 -6.007 0.286 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.569 -6.983 -0.023 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -13.311 -6.564 -2.869 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -13.008 -5.510 -1.484 1.00 0.00 H new ATOM 660 N GLN A 47 -10.605 -9.867 1.368 1.00 0.00 N ATOM 661 CA GLN A 47 -9.450 -10.575 1.894 1.00 0.00 C ATOM 662 C GLN A 47 -8.233 -10.345 0.996 1.00 0.00 C ATOM 663 O GLN A 47 -7.107 -10.253 1.482 1.00 0.00 O ATOM 664 CB GLN A 47 -9.745 -12.068 2.047 1.00 0.00 C ATOM 665 CG GLN A 47 -9.576 -12.514 3.501 1.00 0.00 C ATOM 666 CD GLN A 47 -9.961 -13.985 3.672 1.00 0.00 C ATOM 667 OE1 GLN A 47 -10.745 -14.539 2.919 1.00 0.00 O ATOM 668 NE2 GLN A 47 -9.368 -14.583 4.701 1.00 0.00 N ATOM 0 H GLN A 47 -11.179 -10.409 0.722 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.226 -10.180 2.885 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -10.762 -12.277 1.714 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -9.075 -12.642 1.407 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -8.542 -12.367 3.812 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -10.196 -11.895 4.149 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -8.722 -14.060 5.292 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -9.559 -15.565 4.900 1.00 0.00 H new ATOM 677 N ALA A 48 -8.500 -10.259 -0.299 1.00 0.00 N ATOM 678 CA ALA A 48 -7.441 -10.042 -1.269 1.00 0.00 C ATOM 679 C ALA A 48 -6.453 -9.013 -0.717 1.00 0.00 C ATOM 680 O ALA A 48 -5.271 -9.310 -0.547 1.00 0.00 O ATOM 681 CB ALA A 48 -8.051 -9.607 -2.603 1.00 0.00 C ATOM 0 H ALA A 48 -9.435 -10.336 -0.699 1.00 0.00 H new ATOM 0 HA ALA A 48 -6.890 -10.965 -1.448 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.256 -9.444 -3.331 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -8.722 -10.385 -2.967 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.610 -8.682 -2.463 1.00 0.00 H new ATOM 687 N PHE A 49 -6.973 -7.823 -0.453 1.00 0.00 N ATOM 688 CA PHE A 49 -6.151 -6.748 0.076 1.00 0.00 C ATOM 689 C PHE A 49 -5.835 -6.977 1.555 1.00 0.00 C ATOM 690 O PHE A 49 -6.189 -6.159 2.403 1.00 0.00 O ATOM 691 CB PHE A 49 -6.958 -5.456 -0.067 1.00 0.00 C ATOM 692 CG PHE A 49 -7.442 -5.179 -1.492 1.00 0.00 C ATOM 693 CD1 PHE A 49 -6.544 -4.881 -2.469 1.00 0.00 C ATOM 694 CD2 PHE A 49 -8.770 -5.231 -1.781 1.00 0.00 C ATOM 695 CE1 PHE A 49 -6.993 -4.624 -3.791 1.00 0.00 C ATOM 696 CE2 PHE A 49 -9.219 -4.974 -3.104 1.00 0.00 C ATOM 697 CZ PHE A 49 -8.321 -4.676 -4.081 1.00 0.00 C ATOM 0 H PHE A 49 -7.953 -7.580 -0.596 1.00 0.00 H new ATOM 0 HA PHE A 49 -5.207 -6.700 -0.466 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.822 -5.504 0.596 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -6.346 -4.618 0.267 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.490 -4.840 -2.239 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -9.483 -5.468 -1.005 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -6.280 -4.387 -4.567 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -10.273 -5.015 -3.334 1.00 0.00 H new ATOM 0 HZ PHE A 49 -8.662 -4.481 -5.087 1.00 0.00 H new ATOM 707 N SER A 50 -5.172 -8.093 1.820 1.00 0.00 N ATOM 708 CA SER A 50 -4.804 -8.440 3.182 1.00 0.00 C ATOM 709 C SER A 50 -3.372 -7.985 3.470 1.00 0.00 C ATOM 710 O SER A 50 -2.994 -7.804 4.626 1.00 0.00 O ATOM 711 CB SER A 50 -4.942 -9.944 3.424 1.00 0.00 C ATOM 712 OG SER A 50 -4.387 -10.709 2.358 1.00 0.00 O ATOM 0 H SER A 50 -4.880 -8.769 1.114 1.00 0.00 H new ATOM 0 HA SER A 50 -5.485 -7.926 3.861 1.00 0.00 H new ATOM 0 HB2 SER A 50 -4.445 -10.208 4.357 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.996 -10.197 3.542 1.00 0.00 H new ATOM 0 HG SER A 50 -5.068 -10.851 1.668 1.00 0.00 H new ATOM 718 N PHE A 51 -2.613 -7.813 2.397 1.00 0.00 N ATOM 719 CA PHE A 51 -1.231 -7.383 2.520 1.00 0.00 C ATOM 720 C PHE A 51 -1.144 -5.984 3.133 1.00 0.00 C ATOM 721 O PHE A 51 -0.066 -5.539 3.525 1.00 0.00 O ATOM 722 CB PHE A 51 -0.647 -7.344 1.106 1.00 0.00 C ATOM 723 CG PHE A 51 -1.347 -6.355 0.171 1.00 0.00 C ATOM 724 CD1 PHE A 51 -0.915 -5.068 0.097 1.00 0.00 C ATOM 725 CD2 PHE A 51 -2.401 -6.764 -0.586 1.00 0.00 C ATOM 726 CE1 PHE A 51 -1.564 -4.150 -0.771 1.00 0.00 C ATOM 727 CE2 PHE A 51 -3.050 -5.846 -1.453 1.00 0.00 C ATOM 728 CZ PHE A 51 -2.618 -4.558 -1.528 1.00 0.00 C ATOM 0 H PHE A 51 -2.929 -7.964 1.439 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.685 -8.069 3.168 1.00 0.00 H new ATOM 0 HB2 PHE A 51 0.410 -7.084 1.167 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -0.705 -8.342 0.672 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -0.078 -4.744 0.698 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.744 -7.786 -0.527 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -1.221 -3.128 -0.830 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.887 -6.170 -2.053 1.00 0.00 H new ATOM 0 HZ PHE A 51 -3.112 -3.860 -2.188 1.00 0.00 H new ATOM 738 N LEU A 52 -2.294 -5.328 3.197 1.00 0.00 N ATOM 739 CA LEU A 52 -2.362 -3.989 3.755 1.00 0.00 C ATOM 740 C LEU A 52 -2.458 -4.081 5.280 1.00 0.00 C ATOM 741 O LEU A 52 -2.082 -3.147 5.987 1.00 0.00 O ATOM 742 CB LEU A 52 -3.503 -3.197 3.113 1.00 0.00 C ATOM 743 CG LEU A 52 -3.496 -3.131 1.585 1.00 0.00 C ATOM 744 CD1 LEU A 52 -4.879 -2.759 1.046 1.00 0.00 C ATOM 745 CD2 LEU A 52 -2.410 -2.177 1.082 1.00 0.00 C ATOM 0 H LEU A 52 -3.186 -5.700 2.871 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.452 -3.434 3.525 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.448 -3.635 3.434 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.475 -2.179 3.501 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.256 -4.123 1.202 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.846 -2.719 -0.043 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.606 -3.508 1.360 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -5.172 -1.784 1.436 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.427 -2.149 -0.008 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.594 -1.177 1.474 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.434 -2.525 1.421 1.00 0.00 H new ATOM 757 N TYR A 53 -2.965 -5.215 5.741 1.00 0.00 N ATOM 758 CA TYR A 53 -3.116 -5.441 7.168 1.00 0.00 C ATOM 759 C TYR A 53 -2.158 -6.530 7.655 1.00 0.00 C ATOM 760 O TYR A 53 -2.570 -7.459 8.348 1.00 0.00 O ATOM 761 CB TYR A 53 -4.556 -5.917 7.370 1.00 0.00 C ATOM 762 CG TYR A 53 -5.570 -5.241 6.445 1.00 0.00 C ATOM 763 CD1 TYR A 53 -5.737 -3.871 6.488 1.00 0.00 C ATOM 764 CD2 TYR A 53 -6.319 -6.000 5.569 1.00 0.00 C ATOM 765 CE1 TYR A 53 -6.691 -3.235 5.618 1.00 0.00 C ATOM 766 CE2 TYR A 53 -7.273 -5.363 4.699 1.00 0.00 C ATOM 767 CZ TYR A 53 -7.412 -4.012 4.766 1.00 0.00 C ATOM 768 OH TYR A 53 -8.314 -3.411 3.945 1.00 0.00 O ATOM 0 H TYR A 53 -3.276 -5.987 5.151 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.895 -4.531 7.726 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -4.597 -6.995 7.212 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -4.846 -5.735 8.405 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -5.152 -3.277 7.174 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -6.190 -7.072 5.536 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -6.831 -2.164 5.641 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -7.865 -5.945 4.008 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.262 -2.439 4.058 1.00 0.00 H new ATOM 778 N ASP A 54 -0.899 -6.380 7.273 1.00 0.00 N ATOM 779 CA ASP A 54 0.121 -7.339 7.662 1.00 0.00 C ATOM 780 C ASP A 54 1.496 -6.812 7.246 1.00 0.00 C ATOM 781 O ASP A 54 1.876 -6.911 6.081 1.00 0.00 O ATOM 782 CB ASP A 54 -0.098 -8.687 6.970 1.00 0.00 C ATOM 783 CG ASP A 54 0.138 -9.913 7.854 1.00 0.00 C ATOM 784 OD1 ASP A 54 -0.368 -9.895 8.996 1.00 0.00 O ATOM 785 OD2 ASP A 54 0.820 -10.841 7.366 1.00 0.00 O ATOM 0 H ASP A 54 -0.561 -5.608 6.698 1.00 0.00 H new ATOM 0 HA ASP A 54 0.063 -7.474 8.742 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.119 -8.722 6.591 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.565 -8.747 6.107 1.00 0.00 H new ATOM 790 N PRO A 55 2.223 -6.250 8.249 1.00 0.00 N ATOM 791 CA PRO A 55 3.547 -5.707 7.999 1.00 0.00 C ATOM 792 C PRO A 55 4.577 -6.827 7.835 1.00 0.00 C ATOM 793 O PRO A 55 5.459 -6.744 6.982 1.00 0.00 O ATOM 794 CB PRO A 55 3.834 -4.807 9.189 1.00 0.00 C ATOM 795 CG PRO A 55 2.867 -5.237 10.280 1.00 0.00 C ATOM 796 CD PRO A 55 1.804 -6.116 9.641 1.00 0.00 C ATOM 0 HA PRO A 55 3.601 -5.143 7.068 1.00 0.00 H new ATOM 0 HB2 PRO A 55 4.867 -4.914 9.519 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.689 -3.758 8.930 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.393 -5.783 11.063 1.00 0.00 H new ATOM 0 HG3 PRO A 55 2.410 -4.366 10.750 1.00 0.00 H new ATOM 0 HD2 PRO A 55 1.745 -7.087 10.132 1.00 0.00 H new ATOM 0 HD3 PRO A 55 0.816 -5.661 9.715 1.00 0.00 H new ATOM 804 N ASN A 56 4.429 -7.849 8.665 1.00 0.00 N ATOM 805 CA ASN A 56 5.335 -8.984 8.622 1.00 0.00 C ATOM 806 C ASN A 56 5.526 -9.425 7.170 1.00 0.00 C ATOM 807 O ASN A 56 6.634 -9.772 6.763 1.00 0.00 O ATOM 808 CB ASN A 56 4.769 -10.170 9.406 1.00 0.00 C ATOM 809 CG ASN A 56 5.525 -10.370 10.721 1.00 0.00 C ATOM 810 OD1 ASN A 56 6.546 -9.754 10.979 1.00 0.00 O ATOM 811 ND2 ASN A 56 4.969 -11.264 11.534 1.00 0.00 N ATOM 0 H ASN A 56 3.696 -7.915 9.371 1.00 0.00 H new ATOM 0 HA ASN A 56 6.282 -8.676 9.066 1.00 0.00 H new ATOM 0 HB2 ASN A 56 3.712 -10.003 9.612 1.00 0.00 H new ATOM 0 HB3 ASN A 56 4.837 -11.075 8.802 1.00 0.00 H new ATOM 0 HD21 ASN A 56 5.399 -11.470 12.436 1.00 0.00 H new ATOM 0 HD22 ASN A 56 4.113 -11.744 11.255 1.00 0.00 H new ATOM 818 N SER A 57 4.429 -9.397 6.427 1.00 0.00 N ATOM 819 CA SER A 57 4.461 -9.790 5.029 1.00 0.00 C ATOM 820 C SER A 57 5.268 -8.773 4.219 1.00 0.00 C ATOM 821 O SER A 57 5.515 -7.660 4.682 1.00 0.00 O ATOM 822 CB SER A 57 3.047 -9.919 4.460 1.00 0.00 C ATOM 823 OG SER A 57 3.039 -10.561 3.188 1.00 0.00 O ATOM 0 H SER A 57 3.512 -9.108 6.768 1.00 0.00 H new ATOM 0 HA SER A 57 4.942 -10.766 4.959 1.00 0.00 H new ATOM 0 HB2 SER A 57 2.427 -10.485 5.155 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.601 -8.928 4.369 1.00 0.00 H new ATOM 0 HG SER A 57 2.118 -10.625 2.860 1.00 0.00 H new ATOM 829 N GLN A 58 5.655 -9.190 3.023 1.00 0.00 N ATOM 830 CA GLN A 58 6.429 -8.330 2.144 1.00 0.00 C ATOM 831 C GLN A 58 5.499 -7.421 1.338 1.00 0.00 C ATOM 832 O GLN A 58 5.848 -6.281 1.036 1.00 0.00 O ATOM 833 CB GLN A 58 7.326 -9.155 1.219 1.00 0.00 C ATOM 834 CG GLN A 58 8.721 -9.330 1.822 1.00 0.00 C ATOM 835 CD GLN A 58 8.864 -10.702 2.485 1.00 0.00 C ATOM 836 OE1 GLN A 58 7.897 -11.407 2.726 1.00 0.00 O ATOM 837 NE2 GLN A 58 10.119 -11.039 2.767 1.00 0.00 N ATOM 0 H GLN A 58 5.447 -10.113 2.642 1.00 0.00 H new ATOM 0 HA GLN A 58 7.076 -7.703 2.758 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.875 -10.132 1.046 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.404 -8.664 0.249 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.475 -9.219 1.042 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.904 -8.546 2.557 1.00 0.00 H new ATOM 0 HE21 GLN A 58 10.882 -10.402 2.538 1.00 0.00 H new ATOM 0 HE22 GLN A 58 10.319 -11.935 3.212 1.00 0.00 H new ATOM 846 N GLY A 59 4.333 -7.960 1.012 1.00 0.00 N ATOM 847 CA GLY A 59 3.350 -7.212 0.247 1.00 0.00 C ATOM 848 C GLY A 59 3.196 -5.791 0.793 1.00 0.00 C ATOM 849 O GLY A 59 3.327 -4.819 0.051 1.00 0.00 O ATOM 0 H GLY A 59 4.047 -8.906 1.264 1.00 0.00 H new ATOM 0 HA2 GLY A 59 3.652 -7.173 -0.800 1.00 0.00 H new ATOM 0 HA3 GLY A 59 2.389 -7.725 0.283 1.00 0.00 H new ATOM 853 N TYR A 60 2.919 -5.716 2.086 1.00 0.00 N ATOM 854 CA TYR A 60 2.745 -4.430 2.741 1.00 0.00 C ATOM 855 C TYR A 60 3.913 -3.493 2.428 1.00 0.00 C ATOM 856 O TYR A 60 3.709 -2.382 1.942 1.00 0.00 O ATOM 857 CB TYR A 60 2.728 -4.721 4.243 1.00 0.00 C ATOM 858 CG TYR A 60 2.537 -3.478 5.115 1.00 0.00 C ATOM 859 CD1 TYR A 60 3.604 -2.636 5.359 1.00 0.00 C ATOM 860 CD2 TYR A 60 1.299 -3.198 5.657 1.00 0.00 C ATOM 861 CE1 TYR A 60 3.424 -1.467 6.179 1.00 0.00 C ATOM 862 CE2 TYR A 60 1.120 -2.028 6.477 1.00 0.00 C ATOM 863 CZ TYR A 60 2.191 -1.220 6.698 1.00 0.00 C ATOM 864 OH TYR A 60 2.022 -0.116 7.473 1.00 0.00 O ATOM 0 H TYR A 60 2.811 -6.525 2.698 1.00 0.00 H new ATOM 0 HA TYR A 60 1.831 -3.945 2.399 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.927 -5.429 4.457 1.00 0.00 H new ATOM 0 HB3 TYR A 60 3.664 -5.206 4.519 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.573 -2.855 4.935 1.00 0.00 H new ATOM 0 HD2 TYR A 60 0.464 -3.856 5.466 1.00 0.00 H new ATOM 0 HE1 TYR A 60 4.250 -0.800 6.378 1.00 0.00 H new ATOM 0 HE2 TYR A 60 0.156 -1.797 6.907 1.00 0.00 H new ATOM 0 HH TYR A 60 1.090 -0.067 7.773 1.00 0.00 H new ATOM 874 N ARG A 61 5.112 -3.977 2.718 1.00 0.00 N ATOM 875 CA ARG A 61 6.313 -3.196 2.474 1.00 0.00 C ATOM 876 C ARG A 61 6.404 -2.810 0.996 1.00 0.00 C ATOM 877 O ARG A 61 6.383 -1.628 0.657 1.00 0.00 O ATOM 878 CB ARG A 61 7.568 -3.978 2.868 1.00 0.00 C ATOM 879 CG ARG A 61 7.714 -4.050 4.389 1.00 0.00 C ATOM 880 CD ARG A 61 8.586 -5.238 4.800 1.00 0.00 C ATOM 881 NE ARG A 61 9.080 -5.049 6.182 1.00 0.00 N ATOM 882 CZ ARG A 61 9.805 -5.955 6.852 1.00 0.00 C ATOM 883 NH1 ARG A 61 10.125 -7.120 6.270 1.00 0.00 N ATOM 884 NH2 ARG A 61 10.211 -5.698 8.103 1.00 0.00 N ATOM 0 H ARG A 61 5.277 -4.900 3.120 1.00 0.00 H new ATOM 0 HA ARG A 61 6.253 -2.296 3.085 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.517 -4.986 2.456 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.448 -3.501 2.437 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.155 -3.125 4.760 1.00 0.00 H new ATOM 0 HG3 ARG A 61 6.730 -4.140 4.849 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.011 -6.162 4.734 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.428 -5.336 4.114 1.00 0.00 H new ATOM 0 HE ARG A 61 8.854 -4.174 6.654 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.817 -7.316 5.318 1.00 0.00 H new ATOM 0 HH12 ARG A 61 10.677 -7.810 6.780 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.968 -4.812 8.546 1.00 0.00 H new ATOM 0 HH22 ARG A 61 10.763 -6.388 8.612 1.00 0.00 H new ATOM 898 N TYR A 62 6.502 -3.830 0.156 1.00 0.00 N ATOM 899 CA TYR A 62 6.596 -3.612 -1.277 1.00 0.00 C ATOM 900 C TYR A 62 5.518 -2.638 -1.756 1.00 0.00 C ATOM 901 O TYR A 62 5.718 -1.915 -2.730 1.00 0.00 O ATOM 902 CB TYR A 62 6.359 -4.977 -1.927 1.00 0.00 C ATOM 903 CG TYR A 62 5.867 -4.900 -3.374 1.00 0.00 C ATOM 904 CD1 TYR A 62 4.601 -4.425 -3.648 1.00 0.00 C ATOM 905 CD2 TYR A 62 6.690 -5.305 -4.405 1.00 0.00 C ATOM 906 CE1 TYR A 62 4.137 -4.353 -5.009 1.00 0.00 C ATOM 907 CE2 TYR A 62 6.227 -5.232 -5.767 1.00 0.00 C ATOM 908 CZ TYR A 62 4.974 -4.760 -6.002 1.00 0.00 C ATOM 909 OH TYR A 62 4.536 -4.691 -7.288 1.00 0.00 O ATOM 0 H TYR A 62 6.518 -4.809 0.441 1.00 0.00 H new ATOM 0 HA TYR A 62 7.565 -3.187 -1.538 1.00 0.00 H new ATOM 0 HB2 TYR A 62 7.288 -5.547 -1.900 1.00 0.00 H new ATOM 0 HB3 TYR A 62 5.629 -5.528 -1.335 1.00 0.00 H new ATOM 0 HD1 TYR A 62 3.958 -4.107 -2.841 1.00 0.00 H new ATOM 0 HD2 TYR A 62 7.681 -5.677 -4.191 1.00 0.00 H new ATOM 0 HE1 TYR A 62 3.148 -3.985 -5.237 1.00 0.00 H new ATOM 0 HE2 TYR A 62 6.861 -5.545 -6.583 1.00 0.00 H new ATOM 0 HH TYR A 62 3.642 -5.088 -7.351 1.00 0.00 H new ATOM 919 N TYR A 63 4.398 -2.651 -1.048 1.00 0.00 N ATOM 920 CA TYR A 63 3.288 -1.778 -1.388 1.00 0.00 C ATOM 921 C TYR A 63 3.531 -0.357 -0.877 1.00 0.00 C ATOM 922 O TYR A 63 3.321 0.613 -1.605 1.00 0.00 O ATOM 923 CB TYR A 63 2.062 -2.359 -0.680 1.00 0.00 C ATOM 924 CG TYR A 63 0.979 -1.325 -0.362 1.00 0.00 C ATOM 925 CD1 TYR A 63 1.038 -0.603 0.812 1.00 0.00 C ATOM 926 CD2 TYR A 63 -0.056 -1.116 -1.250 1.00 0.00 C ATOM 927 CE1 TYR A 63 0.019 0.370 1.111 1.00 0.00 C ATOM 928 CE2 TYR A 63 -1.075 -0.143 -0.951 1.00 0.00 C ATOM 929 CZ TYR A 63 -0.987 0.552 0.215 1.00 0.00 C ATOM 930 OH TYR A 63 -1.950 1.470 0.497 1.00 0.00 O ATOM 0 H TYR A 63 4.236 -3.252 -0.240 1.00 0.00 H new ATOM 0 HA TYR A 63 3.160 -1.724 -2.469 1.00 0.00 H new ATOM 0 HB2 TYR A 63 1.631 -3.141 -1.305 1.00 0.00 H new ATOM 0 HB3 TYR A 63 2.382 -2.833 0.248 1.00 0.00 H new ATOM 0 HD1 TYR A 63 1.848 -0.767 1.507 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -0.102 -1.682 -2.169 1.00 0.00 H new ATOM 0 HE1 TYR A 63 0.053 0.942 2.026 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -1.891 0.031 -1.637 1.00 0.00 H new ATOM 0 HH TYR A 63 -1.962 2.157 -0.202 1.00 0.00 H new ATOM 940 N ARG A 64 3.971 -0.278 0.370 1.00 0.00 N ATOM 941 CA ARG A 64 4.246 1.009 0.987 1.00 0.00 C ATOM 942 C ARG A 64 5.208 1.820 0.116 1.00 0.00 C ATOM 943 O ARG A 64 4.960 2.992 -0.163 1.00 0.00 O ATOM 944 CB ARG A 64 4.854 0.833 2.380 1.00 0.00 C ATOM 945 CG ARG A 64 3.788 0.988 3.467 1.00 0.00 C ATOM 946 CD ARG A 64 3.886 2.358 4.140 1.00 0.00 C ATOM 947 NE ARG A 64 5.185 2.488 4.837 1.00 0.00 N ATOM 948 CZ ARG A 64 5.533 3.543 5.587 1.00 0.00 C ATOM 949 NH1 ARG A 64 4.681 4.565 5.741 1.00 0.00 N ATOM 950 NH2 ARG A 64 6.733 3.575 6.183 1.00 0.00 N ATOM 0 H ARG A 64 4.144 -1.084 0.970 1.00 0.00 H new ATOM 0 HA ARG A 64 3.299 1.541 1.081 1.00 0.00 H new ATOM 0 HB2 ARG A 64 5.317 -0.151 2.457 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.643 1.569 2.532 1.00 0.00 H new ATOM 0 HG2 ARG A 64 2.797 0.864 3.030 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.908 0.203 4.213 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.783 3.147 3.395 1.00 0.00 H new ATOM 0 HD3 ARG A 64 3.069 2.483 4.850 1.00 0.00 H new ATOM 0 HE ARG A 64 5.858 1.727 4.741 1.00 0.00 H new ATOM 0 HH11 ARG A 64 3.768 4.540 5.288 1.00 0.00 H new ATOM 0 HH12 ARG A 64 4.946 5.368 6.312 1.00 0.00 H new ATOM 0 HH21 ARG A 64 7.382 2.796 6.066 1.00 0.00 H new ATOM 0 HH22 ARG A 64 6.998 4.378 6.754 1.00 0.00 H new ATOM 964 N GLN A 65 6.286 1.164 -0.288 1.00 0.00 N ATOM 965 CA GLN A 65 7.287 1.810 -1.120 1.00 0.00 C ATOM 966 C GLN A 65 6.623 2.475 -2.328 1.00 0.00 C ATOM 967 O GLN A 65 6.737 3.685 -2.515 1.00 0.00 O ATOM 968 CB GLN A 65 8.358 0.812 -1.564 1.00 0.00 C ATOM 969 CG GLN A 65 9.664 1.529 -1.914 1.00 0.00 C ATOM 970 CD GLN A 65 10.799 0.526 -2.128 1.00 0.00 C ATOM 971 OE1 GLN A 65 10.822 -0.555 -1.563 1.00 0.00 O ATOM 972 NE2 GLN A 65 11.738 0.944 -2.974 1.00 0.00 N ATOM 0 H GLN A 65 6.488 0.192 -0.055 1.00 0.00 H new ATOM 0 HA GLN A 65 7.780 2.582 -0.529 1.00 0.00 H new ATOM 0 HB2 GLN A 65 8.538 0.088 -0.769 1.00 0.00 H new ATOM 0 HB3 GLN A 65 8.003 0.253 -2.430 1.00 0.00 H new ATOM 0 HG2 GLN A 65 9.526 2.125 -2.816 1.00 0.00 H new ATOM 0 HG3 GLN A 65 9.930 2.219 -1.114 1.00 0.00 H new ATOM 0 HE21 GLN A 65 11.657 1.861 -3.413 1.00 0.00 H new ATOM 0 HE22 GLN A 65 12.538 0.347 -3.183 1.00 0.00 H new ATOM 981 N LYS A 66 5.944 1.654 -3.116 1.00 0.00 N ATOM 982 CA LYS A 66 5.263 2.147 -4.301 1.00 0.00 C ATOM 983 C LYS A 66 4.467 3.403 -3.940 1.00 0.00 C ATOM 984 O LYS A 66 4.474 4.382 -4.684 1.00 0.00 O ATOM 985 CB LYS A 66 4.414 1.041 -4.930 1.00 0.00 C ATOM 986 CG LYS A 66 5.298 -0.054 -5.531 1.00 0.00 C ATOM 987 CD LYS A 66 5.868 0.381 -6.883 1.00 0.00 C ATOM 988 CE LYS A 66 7.039 -0.511 -7.297 1.00 0.00 C ATOM 989 NZ LYS A 66 8.287 -0.069 -6.634 1.00 0.00 N ATOM 0 H LYS A 66 5.851 0.651 -2.957 1.00 0.00 H new ATOM 0 HA LYS A 66 5.986 2.435 -5.064 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.756 0.609 -4.176 1.00 0.00 H new ATOM 0 HB3 LYS A 66 3.775 1.464 -5.705 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.114 -0.285 -4.846 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.717 -0.968 -5.654 1.00 0.00 H new ATOM 0 HD2 LYS A 66 5.087 0.337 -7.642 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.199 1.418 -6.825 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.826 -1.547 -7.032 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.164 -0.478 -8.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.072 -0.685 -6.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.497 0.912 -6.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.170 -0.123 -5.602 1.00 0.00 H new ATOM 1003 N LEU A 67 3.799 3.334 -2.798 1.00 0.00 N ATOM 1004 CA LEU A 67 2.999 4.453 -2.329 1.00 0.00 C ATOM 1005 C LEU A 67 3.884 5.697 -2.222 1.00 0.00 C ATOM 1006 O LEU A 67 3.482 6.786 -2.630 1.00 0.00 O ATOM 1007 CB LEU A 67 2.285 4.093 -1.025 1.00 0.00 C ATOM 1008 CG LEU A 67 0.964 4.818 -0.761 1.00 0.00 C ATOM 1009 CD1 LEU A 67 -0.039 4.557 -1.886 1.00 0.00 C ATOM 1010 CD2 LEU A 67 0.398 4.444 0.611 1.00 0.00 C ATOM 0 H LEU A 67 3.795 2.520 -2.183 1.00 0.00 H new ATOM 0 HA LEU A 67 2.209 4.683 -3.044 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.094 3.020 -1.023 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.961 4.298 -0.195 1.00 0.00 H new ATOM 0 HG LEU A 67 1.159 5.890 -0.747 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.969 5.084 -1.674 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.372 4.914 -2.830 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.236 3.487 -1.957 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.541 4.973 0.774 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.221 3.369 0.651 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.111 4.723 1.387 1.00 0.00 H new ATOM 1022 N ASP A 68 5.072 5.493 -1.673 1.00 0.00 N ATOM 1023 CA ASP A 68 6.017 6.585 -1.507 1.00 0.00 C ATOM 1024 C ASP A 68 6.618 6.944 -2.868 1.00 0.00 C ATOM 1025 O ASP A 68 6.809 8.119 -3.175 1.00 0.00 O ATOM 1026 CB ASP A 68 7.162 6.186 -0.575 1.00 0.00 C ATOM 1027 CG ASP A 68 7.946 7.355 0.025 1.00 0.00 C ATOM 1028 OD1 ASP A 68 7.437 7.934 1.009 1.00 0.00 O ATOM 1029 OD2 ASP A 68 9.036 7.644 -0.515 1.00 0.00 O ATOM 0 H ASP A 68 5.402 4.588 -1.337 1.00 0.00 H new ATOM 0 HA ASP A 68 5.482 7.432 -1.078 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.755 5.585 0.239 1.00 0.00 H new ATOM 0 HB3 ASP A 68 7.854 5.549 -1.126 1.00 0.00 H new ATOM 1034 N GLU A 69 6.901 5.909 -3.645 1.00 0.00 N ATOM 1035 CA GLU A 69 7.477 6.100 -4.966 1.00 0.00 C ATOM 1036 C GLU A 69 6.603 7.044 -5.794 1.00 0.00 C ATOM 1037 O GLU A 69 7.072 8.081 -6.260 1.00 0.00 O ATOM 1038 CB GLU A 69 7.667 4.761 -5.680 1.00 0.00 C ATOM 1039 CG GLU A 69 9.138 4.532 -6.033 1.00 0.00 C ATOM 1040 CD GLU A 69 9.884 3.869 -4.873 1.00 0.00 C ATOM 1041 OE1 GLU A 69 9.897 4.481 -3.783 1.00 0.00 O ATOM 1042 OE2 GLU A 69 10.423 2.765 -5.102 1.00 0.00 O ATOM 0 H GLU A 69 6.742 4.935 -3.386 1.00 0.00 H new ATOM 0 HA GLU A 69 8.461 6.555 -4.850 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.312 3.951 -5.043 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.064 4.740 -6.588 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.209 3.905 -6.922 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.610 5.484 -6.277 1.00 0.00 H new ATOM 1049 N PHE A 70 5.348 6.651 -5.952 1.00 0.00 N ATOM 1050 CA PHE A 70 4.404 7.449 -6.717 1.00 0.00 C ATOM 1051 C PHE A 70 4.163 8.803 -6.047 1.00 0.00 C ATOM 1052 O PHE A 70 4.377 9.849 -6.659 1.00 0.00 O ATOM 1053 CB PHE A 70 3.087 6.670 -6.754 1.00 0.00 C ATOM 1054 CG PHE A 70 3.238 5.213 -7.193 1.00 0.00 C ATOM 1055 CD1 PHE A 70 4.283 4.845 -7.982 1.00 0.00 C ATOM 1056 CD2 PHE A 70 2.328 4.284 -6.794 1.00 0.00 C ATOM 1057 CE1 PHE A 70 4.423 3.492 -8.390 1.00 0.00 C ATOM 1058 CE2 PHE A 70 2.468 2.931 -7.201 1.00 0.00 C ATOM 1059 CZ PHE A 70 3.512 2.564 -7.991 1.00 0.00 C ATOM 0 H PHE A 70 4.962 5.790 -5.563 1.00 0.00 H new ATOM 0 HA PHE A 70 4.796 7.633 -7.717 1.00 0.00 H new ATOM 0 HB2 PHE A 70 2.634 6.695 -5.763 1.00 0.00 H new ATOM 0 HB3 PHE A 70 2.398 7.173 -7.432 1.00 0.00 H new ATOM 0 HD1 PHE A 70 5.006 5.582 -8.298 1.00 0.00 H new ATOM 0 HD2 PHE A 70 1.498 4.576 -6.167 1.00 0.00 H new ATOM 0 HE1 PHE A 70 5.253 3.200 -9.017 1.00 0.00 H new ATOM 0 HE2 PHE A 70 1.746 2.194 -6.883 1.00 0.00 H new ATOM 0 HZ PHE A 70 3.618 1.535 -8.302 1.00 0.00 H new ATOM 1069 N ARG A 71 3.722 8.741 -4.800 1.00 0.00 N ATOM 1070 CA ARG A 71 3.450 9.950 -4.041 1.00 0.00 C ATOM 1071 C ARG A 71 4.511 11.012 -4.336 1.00 0.00 C ATOM 1072 O ARG A 71 4.187 12.108 -4.792 1.00 0.00 O ATOM 1073 CB ARG A 71 3.428 9.664 -2.538 1.00 0.00 C ATOM 1074 CG ARG A 71 2.025 9.266 -2.075 1.00 0.00 C ATOM 1075 CD ARG A 71 1.996 9.017 -0.566 1.00 0.00 C ATOM 1076 NE ARG A 71 0.842 9.719 0.040 1.00 0.00 N ATOM 1077 CZ ARG A 71 0.784 11.044 0.229 1.00 0.00 C ATOM 1078 NH1 ARG A 71 1.813 11.819 -0.141 1.00 0.00 N ATOM 1079 NH2 ARG A 71 -0.303 11.595 0.786 1.00 0.00 N ATOM 0 H ARG A 71 3.546 7.872 -4.295 1.00 0.00 H new ATOM 0 HA ARG A 71 2.469 10.318 -4.343 1.00 0.00 H new ATOM 0 HB2 ARG A 71 4.132 8.864 -2.306 1.00 0.00 H new ATOM 0 HB3 ARG A 71 3.758 10.547 -1.991 1.00 0.00 H new ATOM 0 HG2 ARG A 71 1.317 10.054 -2.331 1.00 0.00 H new ATOM 0 HG3 ARG A 71 1.706 8.367 -2.602 1.00 0.00 H new ATOM 0 HD2 ARG A 71 1.927 7.948 -0.367 1.00 0.00 H new ATOM 0 HD3 ARG A 71 2.924 9.367 -0.113 1.00 0.00 H new ATOM 0 HE ARG A 71 0.041 9.159 0.332 1.00 0.00 H new ATOM 0 HH11 ARG A 71 2.640 11.400 -0.566 1.00 0.00 H new ATOM 0 HH12 ARG A 71 1.769 12.828 0.003 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -1.087 11.006 1.066 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -0.347 12.604 0.930 1.00 0.00 H new