USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 638 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 19 GLN : amide:sc= -1.08 K(o=-1.6,f=-0.3) USER MOD Set 1.2: A 94 GLN : amide:sc= -0.496 K(o=-1.6,f=-0.3) USER MOD Set 2.1: A 77 THR OG1 : rot 180:sc= -0.0984 USER MOD Set 2.2: A 90 GLN : amide:sc= -0.731 K(o=-0.83,f=1.6) USER MOD Set 3.1: A 43 LYS NZ :NH3+ 167:sc= 0.184 (180deg=0.135) USER MOD Set 3.2: A 54 HIS : no HD1:sc= -0.164 X(o=0.02,f=0.13) USER MOD Set 4.1: A 30 CYS SG : rot -4:sc= 0.861 USER MOD Set 4.2: A 80 CYS SG : rot 170:sc= 0.752 USER MOD Single : A 9 ASN : amide:sc= -1.62 K(o=-1.6,f=-10!) USER MOD Single : A 10 CYS SG : rot 10:sc= 0.0678 USER MOD Single : A 12 THR OG1 : rot -150:sc= -0.903 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.196 K(o=-0.2,f=-2.7!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot -42:sc= 0.0662 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0491 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 115:sc= 0.304 USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 179:sc= 0.469 (180deg=0.468) USER MOD Single : A 55 GLN : amide:sc= -0.187 K(o=-0.19,f=-1.5!) USER MOD Single : A 57 SER OG : rot 180:sc= -0.0368 USER MOD Single : A 58 GLN : amide:sc= -0.069 K(o=-0.069,f=-0.58) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= -0.044 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 92:sc= 0.0359 USER MOD Single : A 78 TYR OH : rot 61:sc= -1.8! USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -0.142 X(o=-0.14,f=-0.14) USER MOD Single : A 86 GLN : amide:sc= -8.09! C(o=-8.1!,f=-6.8!) USER MOD Single : A 87 SER OG : rot 100:sc= 0.153 USER MOD ----------------------------------------------------------------- ATOM 76 N ASN A 9 8.300 18.470 -1.320 1.00 0.00 N ATOM 77 CA ASN A 9 7.164 18.039 -0.513 1.00 0.00 C ATOM 78 C ASN A 9 7.568 16.921 0.443 1.00 0.00 C ATOM 79 O ASN A 9 8.538 16.202 0.199 1.00 0.00 O ATOM 80 CB ASN A 9 6.021 17.566 -1.415 1.00 0.00 C ATOM 81 CG ASN A 9 4.723 17.382 -0.653 1.00 0.00 C ATOM 82 OD1 ASN A 9 4.637 17.694 0.534 1.00 0.00 O ATOM 83 ND2 ASN A 9 3.704 16.873 -1.337 1.00 0.00 N ATOM 0 HA ASN A 9 6.825 18.891 0.076 1.00 0.00 H new ATOM 0 HB2 ASN A 9 5.870 18.290 -2.216 1.00 0.00 H new ATOM 0 HB3 ASN A 9 6.300 16.623 -1.886 1.00 0.00 H new ATOM 0 HD21 ASN A 9 2.805 16.727 -0.879 1.00 0.00 H new ATOM 0 HD22 ASN A 9 3.821 16.629 -2.320 1.00 0.00 H new ATOM 90 N CYS A 10 6.819 16.781 1.531 1.00 0.00 N ATOM 91 CA CYS A 10 7.099 15.750 2.524 1.00 0.00 C ATOM 92 C CYS A 10 5.807 15.108 3.021 1.00 0.00 C ATOM 93 O CYS A 10 4.719 15.427 2.542 1.00 0.00 O ATOM 94 CB CYS A 10 7.873 16.344 3.702 1.00 0.00 C ATOM 95 SG CYS A 10 9.569 16.827 3.302 1.00 0.00 S ATOM 0 H CYS A 10 6.014 17.368 1.748 1.00 0.00 H new ATOM 0 HA CYS A 10 7.707 14.980 2.050 1.00 0.00 H new ATOM 0 HB2 CYS A 10 7.336 17.217 4.073 1.00 0.00 H new ATOM 0 HB3 CYS A 10 7.896 15.616 4.513 1.00 0.00 H new ATOM 0 HG CYS A 10 9.743 16.773 2.015 1.00 0.00 H new ATOM 101 N PHE A 11 5.936 14.201 3.983 1.00 0.00 N ATOM 102 CA PHE A 11 4.779 13.512 4.543 1.00 0.00 C ATOM 103 C PHE A 11 4.580 13.886 6.009 1.00 0.00 C ATOM 104 O PHE A 11 5.428 13.600 6.855 1.00 0.00 O ATOM 105 CB PHE A 11 4.947 11.997 4.410 1.00 0.00 C ATOM 106 CG PHE A 11 4.726 11.490 3.013 1.00 0.00 C ATOM 107 CD1 PHE A 11 5.674 11.704 2.026 1.00 0.00 C ATOM 108 CD2 PHE A 11 3.569 10.799 2.688 1.00 0.00 C ATOM 109 CE1 PHE A 11 5.473 11.238 0.740 1.00 0.00 C ATOM 110 CE2 PHE A 11 3.364 10.330 1.405 1.00 0.00 C ATOM 111 CZ PHE A 11 4.316 10.551 0.429 1.00 0.00 C ATOM 0 H PHE A 11 6.829 13.926 4.391 1.00 0.00 H new ATOM 0 HA PHE A 11 3.897 13.823 3.984 1.00 0.00 H new ATOM 0 HB2 PHE A 11 5.951 11.721 4.734 1.00 0.00 H new ATOM 0 HB3 PHE A 11 4.247 11.501 5.083 1.00 0.00 H new ATOM 0 HD1 PHE A 11 6.580 12.241 2.264 1.00 0.00 H new ATOM 0 HD2 PHE A 11 2.820 10.625 3.446 1.00 0.00 H new ATOM 0 HE1 PHE A 11 6.220 11.411 -0.021 1.00 0.00 H new ATOM 0 HE2 PHE A 11 2.460 9.791 1.165 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.156 10.187 -0.575 1.00 0.00 H new ATOM 121 N THR A 12 3.453 14.527 6.303 1.00 0.00 N ATOM 122 CA THR A 12 3.143 14.942 7.665 1.00 0.00 C ATOM 123 C THR A 12 2.720 13.753 8.519 1.00 0.00 C ATOM 124 O THR A 12 2.967 13.724 9.724 1.00 0.00 O ATOM 125 CB THR A 12 2.023 16.000 7.688 1.00 0.00 C ATOM 126 OG1 THR A 12 0.889 15.529 6.953 1.00 0.00 O ATOM 127 CG2 THR A 12 2.508 17.314 7.095 1.00 0.00 C ATOM 0 H THR A 12 2.740 14.770 5.616 1.00 0.00 H new ATOM 0 HA THR A 12 4.053 15.377 8.078 1.00 0.00 H new ATOM 0 HB THR A 12 1.737 16.172 8.726 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.412 16.291 6.564 1.00 0.00 H new ATOM 0 HG21 THR A 12 1.700 18.045 7.122 1.00 0.00 H new ATOM 0 HG22 THR A 12 3.353 17.685 7.675 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.819 17.155 6.062 1.00 0.00 H new ATOM 135 N GLU A 13 2.083 12.772 7.887 1.00 0.00 N ATOM 136 CA GLU A 13 1.626 11.580 8.591 1.00 0.00 C ATOM 137 C GLU A 13 1.945 10.320 7.791 1.00 0.00 C ATOM 138 O GLU A 13 1.287 10.023 6.795 1.00 0.00 O ATOM 139 CB GLU A 13 0.121 11.662 8.856 1.00 0.00 C ATOM 140 CG GLU A 13 -0.228 12.311 10.185 1.00 0.00 C ATOM 141 CD GLU A 13 -1.696 12.165 10.537 1.00 0.00 C ATOM 142 OE1 GLU A 13 -2.547 12.501 9.687 1.00 0.00 O ATOM 143 OE2 GLU A 13 -1.993 11.714 11.663 1.00 0.00 O ATOM 0 H GLU A 13 1.872 12.780 6.889 1.00 0.00 H new ATOM 0 HA GLU A 13 2.153 11.528 9.544 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.351 12.225 8.051 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.299 10.657 8.831 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.377 11.864 10.974 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.029 13.370 10.147 1.00 0.00 H new ATOM 150 N GLU A 14 2.959 9.585 8.236 1.00 0.00 N ATOM 151 CA GLU A 14 3.366 8.358 7.561 1.00 0.00 C ATOM 152 C GLU A 14 2.266 7.303 7.640 1.00 0.00 C ATOM 153 O GLU A 14 1.431 7.327 8.545 1.00 0.00 O ATOM 154 CB GLU A 14 4.656 7.813 8.179 1.00 0.00 C ATOM 155 CG GLU A 14 5.888 8.635 7.840 1.00 0.00 C ATOM 156 CD GLU A 14 6.968 8.532 8.899 1.00 0.00 C ATOM 157 OE1 GLU A 14 6.620 8.502 10.098 1.00 0.00 O ATOM 158 OE2 GLU A 14 8.159 8.482 8.530 1.00 0.00 O ATOM 0 H GLU A 14 3.513 9.817 9.060 1.00 0.00 H new ATOM 0 HA GLU A 14 3.545 8.593 6.512 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.542 7.775 9.262 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.808 6.789 7.838 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.290 8.302 6.883 1.00 0.00 H new ATOM 0 HG3 GLU A 14 5.601 9.680 7.719 1.00 0.00 H new ATOM 165 N LEU A 15 2.272 6.379 6.686 1.00 0.00 N ATOM 166 CA LEU A 15 1.275 5.315 6.645 1.00 0.00 C ATOM 167 C LEU A 15 1.316 4.481 7.922 1.00 0.00 C ATOM 168 O LEU A 15 2.195 4.661 8.766 1.00 0.00 O ATOM 169 CB LEU A 15 1.507 4.417 5.429 1.00 0.00 C ATOM 170 CG LEU A 15 1.203 5.041 4.066 1.00 0.00 C ATOM 171 CD1 LEU A 15 2.027 4.372 2.977 1.00 0.00 C ATOM 172 CD2 LEU A 15 -0.283 4.939 3.753 1.00 0.00 C ATOM 0 H LEU A 15 2.956 6.345 5.930 1.00 0.00 H new ATOM 0 HA LEU A 15 0.291 5.777 6.565 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.548 4.094 5.434 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.895 3.522 5.541 1.00 0.00 H new ATOM 0 HG LEU A 15 1.475 6.096 4.101 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.797 4.829 2.014 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.088 4.497 3.194 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.787 3.309 2.940 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.481 5.388 2.780 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.580 3.890 3.736 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.853 5.466 4.518 1.00 0.00 H new ATOM 184 N THR A 16 0.361 3.566 8.057 1.00 0.00 N ATOM 185 CA THR A 16 0.289 2.704 9.229 1.00 0.00 C ATOM 186 C THR A 16 0.019 1.257 8.832 1.00 0.00 C ATOM 187 O THR A 16 -0.773 0.989 7.929 1.00 0.00 O ATOM 188 CB THR A 16 -0.809 3.170 10.203 1.00 0.00 C ATOM 189 OG1 THR A 16 -0.845 2.312 11.349 1.00 0.00 O ATOM 190 CG2 THR A 16 -2.170 3.173 9.523 1.00 0.00 C ATOM 0 H THR A 16 -0.374 3.403 7.368 1.00 0.00 H new ATOM 0 HA THR A 16 1.257 2.767 9.727 1.00 0.00 H new ATOM 0 HB THR A 16 -0.575 4.187 10.519 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.545 2.617 11.964 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.930 3.506 10.231 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.148 3.850 8.669 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.408 2.166 9.182 1.00 0.00 H new ATOM 198 N ASN A 17 0.682 0.327 9.512 1.00 0.00 N ATOM 199 CA ASN A 17 0.512 -1.093 9.229 1.00 0.00 C ATOM 200 C ASN A 17 -0.956 -1.497 9.332 1.00 0.00 C ATOM 201 O ASN A 17 -1.621 -1.211 10.328 1.00 0.00 O ATOM 202 CB ASN A 17 1.352 -1.931 10.196 1.00 0.00 C ATOM 203 CG ASN A 17 2.760 -1.390 10.357 1.00 0.00 C ATOM 204 OD1 ASN A 17 3.486 -1.217 9.378 1.00 0.00 O ATOM 205 ND2 ASN A 17 3.151 -1.119 11.596 1.00 0.00 N ATOM 0 H ASN A 17 1.342 0.532 10.263 1.00 0.00 H new ATOM 0 HA ASN A 17 0.850 -1.278 8.209 1.00 0.00 H new ATOM 0 HB2 ASN A 17 0.862 -1.957 11.169 1.00 0.00 H new ATOM 0 HB3 ASN A 17 1.399 -2.958 9.835 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.087 -0.752 11.767 1.00 0.00 H new ATOM 0 HD22 ASN A 17 2.515 -1.278 12.378 1.00 0.00 H new ATOM 212 N LEU A 18 -1.454 -2.163 8.297 1.00 0.00 N ATOM 213 CA LEU A 18 -2.843 -2.608 8.270 1.00 0.00 C ATOM 214 C LEU A 18 -2.932 -4.125 8.401 1.00 0.00 C ATOM 215 O LEU A 18 -2.185 -4.858 7.753 1.00 0.00 O ATOM 216 CB LEU A 18 -3.519 -2.156 6.974 1.00 0.00 C ATOM 217 CG LEU A 18 -3.548 -0.648 6.723 1.00 0.00 C ATOM 218 CD1 LEU A 18 -4.034 -0.351 5.313 1.00 0.00 C ATOM 219 CD2 LEU A 18 -4.429 0.047 7.750 1.00 0.00 C ATOM 0 H LEU A 18 -0.917 -2.407 7.465 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.359 -2.158 9.118 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.010 -2.634 6.137 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.545 -2.524 6.976 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.533 -0.263 6.824 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.048 0.727 5.153 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.363 -0.817 4.591 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.040 -0.750 5.183 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.438 1.120 7.556 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.445 -0.342 7.681 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.037 -0.137 8.750 1.00 0.00 H new ATOM 231 N GLN A 19 -3.852 -4.588 9.241 1.00 0.00 N ATOM 232 CA GLN A 19 -4.039 -6.019 9.455 1.00 0.00 C ATOM 233 C GLN A 19 -5.456 -6.444 9.084 1.00 0.00 C ATOM 234 O GLN A 19 -6.423 -6.060 9.743 1.00 0.00 O ATOM 235 CB GLN A 19 -3.751 -6.380 10.913 1.00 0.00 C ATOM 236 CG GLN A 19 -3.728 -7.877 11.176 1.00 0.00 C ATOM 237 CD GLN A 19 -4.028 -8.220 12.621 1.00 0.00 C ATOM 238 OE1 GLN A 19 -5.001 -7.733 13.198 1.00 0.00 O ATOM 239 NE2 GLN A 19 -3.192 -9.063 13.216 1.00 0.00 N ATOM 0 H GLN A 19 -4.479 -3.994 9.784 1.00 0.00 H new ATOM 0 HA GLN A 19 -3.339 -6.552 8.811 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -2.790 -5.954 11.201 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -4.507 -5.919 11.549 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -4.458 -8.367 10.531 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -2.749 -8.274 10.908 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -2.398 -9.443 12.700 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -3.344 -9.331 14.189 1.00 0.00 H new ATOM 248 N VAL A 20 -5.573 -7.238 8.024 1.00 0.00 N ATOM 249 CA VAL A 20 -6.872 -7.716 7.566 1.00 0.00 C ATOM 250 C VAL A 20 -6.734 -9.017 6.785 1.00 0.00 C ATOM 251 O VAL A 20 -5.851 -9.154 5.939 1.00 0.00 O ATOM 252 CB VAL A 20 -7.574 -6.670 6.680 1.00 0.00 C ATOM 253 CG1 VAL A 20 -9.054 -6.993 6.542 1.00 0.00 C ATOM 254 CG2 VAL A 20 -7.376 -5.272 7.248 1.00 0.00 C ATOM 0 H VAL A 20 -4.783 -7.564 7.466 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.477 -7.892 8.456 1.00 0.00 H new ATOM 0 HB VAL A 20 -7.126 -6.701 5.687 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.533 -6.243 5.913 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -9.171 -7.977 6.087 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.520 -6.991 7.527 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.879 -4.545 6.610 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.796 -5.225 8.253 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.311 -5.043 7.289 1.00 0.00 H new ATOM 264 N GLU A 21 -7.614 -9.971 7.074 1.00 0.00 N ATOM 265 CA GLU A 21 -7.590 -11.263 6.398 1.00 0.00 C ATOM 266 C GLU A 21 -7.727 -11.089 4.888 1.00 0.00 C ATOM 267 O GLU A 21 -8.234 -10.073 4.414 1.00 0.00 O ATOM 268 CB GLU A 21 -8.712 -12.160 6.923 1.00 0.00 C ATOM 269 CG GLU A 21 -10.103 -11.678 6.547 1.00 0.00 C ATOM 270 CD GLU A 21 -11.165 -12.136 7.527 1.00 0.00 C ATOM 271 OE1 GLU A 21 -11.057 -13.276 8.028 1.00 0.00 O ATOM 272 OE2 GLU A 21 -12.104 -11.357 7.794 1.00 0.00 O ATOM 0 H GLU A 21 -8.352 -9.873 7.771 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.630 -11.736 6.607 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.570 -13.169 6.537 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.639 -12.221 8.009 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.105 -10.589 6.498 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.352 -12.042 5.550 1.00 0.00 H new ATOM 279 N GLU A 22 -7.271 -12.088 4.139 1.00 0.00 N ATOM 280 CA GLU A 22 -7.342 -12.046 2.684 1.00 0.00 C ATOM 281 C GLU A 22 -8.778 -11.826 2.215 1.00 0.00 C ATOM 282 O GLU A 22 -9.728 -12.040 2.968 1.00 0.00 O ATOM 283 CB GLU A 22 -6.791 -13.342 2.085 1.00 0.00 C ATOM 284 CG GLU A 22 -7.709 -14.538 2.274 1.00 0.00 C ATOM 285 CD GLU A 22 -7.504 -15.603 1.215 1.00 0.00 C ATOM 286 OE1 GLU A 22 -6.804 -15.324 0.219 1.00 0.00 O ATOM 287 OE2 GLU A 22 -8.044 -16.717 1.382 1.00 0.00 O ATOM 0 H GLU A 22 -6.848 -12.936 4.516 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.734 -11.209 2.341 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.616 -13.194 1.019 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.825 -13.561 2.540 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.536 -14.972 3.259 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.746 -14.203 2.251 1.00 0.00 H new ATOM 294 N LYS A 23 -8.927 -11.398 0.966 1.00 0.00 N ATOM 295 CA LYS A 23 -10.246 -11.150 0.395 1.00 0.00 C ATOM 296 C LYS A 23 -11.001 -10.101 1.205 1.00 0.00 C ATOM 297 O LYS A 23 -12.204 -10.226 1.431 1.00 0.00 O ATOM 298 CB LYS A 23 -11.054 -12.448 0.341 1.00 0.00 C ATOM 299 CG LYS A 23 -10.661 -13.362 -0.807 1.00 0.00 C ATOM 300 CD LYS A 23 -11.436 -13.034 -2.072 1.00 0.00 C ATOM 301 CE LYS A 23 -12.817 -13.672 -2.060 1.00 0.00 C ATOM 302 NZ LYS A 23 -12.790 -15.062 -2.592 1.00 0.00 N ATOM 0 H LYS A 23 -8.151 -11.216 0.330 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.110 -10.772 -0.618 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -10.927 -12.985 1.281 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -12.113 -12.204 0.254 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -9.592 -13.267 -0.999 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -10.843 -14.399 -0.526 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -11.534 -11.953 -2.170 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -10.880 -13.384 -2.942 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -13.204 -13.681 -1.041 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -13.501 -13.068 -2.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -13.750 -15.462 -2.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -12.444 -15.052 -3.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -12.157 -15.645 -2.008 1.00 0.00 H new ATOM 316 N GLY A 24 -10.287 -9.066 1.638 1.00 0.00 N ATOM 317 CA GLY A 24 -10.908 -8.011 2.417 1.00 0.00 C ATOM 318 C GLY A 24 -10.786 -6.653 1.754 1.00 0.00 C ATOM 319 O GLY A 24 -11.163 -6.484 0.593 1.00 0.00 O ATOM 0 H GLY A 24 -9.290 -8.940 1.463 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.962 -8.246 2.566 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.447 -7.973 3.404 1.00 0.00 H new ATOM 323 N THR A 25 -10.261 -5.681 2.492 1.00 0.00 N ATOM 324 CA THR A 25 -10.093 -4.330 1.971 1.00 0.00 C ATOM 325 C THR A 25 -9.080 -3.544 2.795 1.00 0.00 C ATOM 326 O THR A 25 -9.300 -3.277 3.976 1.00 0.00 O ATOM 327 CB THR A 25 -11.430 -3.565 1.954 1.00 0.00 C ATOM 328 OG1 THR A 25 -12.505 -4.461 1.652 1.00 0.00 O ATOM 329 CG2 THR A 25 -11.397 -2.441 0.929 1.00 0.00 C ATOM 0 H THR A 25 -9.944 -5.804 3.454 1.00 0.00 H new ATOM 0 HA THR A 25 -9.726 -4.428 0.949 1.00 0.00 H new ATOM 0 HB THR A 25 -11.587 -3.131 2.942 1.00 0.00 H new ATOM 0 HG1 THR A 25 -12.233 -5.067 0.932 1.00 0.00 H new ATOM 0 HG21 THR A 25 -12.352 -1.915 0.935 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.597 -1.744 1.179 1.00 0.00 H new ATOM 0 HG23 THR A 25 -11.219 -2.858 -0.062 1.00 0.00 H new ATOM 337 N ALA A 26 -7.970 -3.175 2.164 1.00 0.00 N ATOM 338 CA ALA A 26 -6.925 -2.416 2.839 1.00 0.00 C ATOM 339 C ALA A 26 -6.776 -1.025 2.232 1.00 0.00 C ATOM 340 O ALA A 26 -6.321 -0.878 1.097 1.00 0.00 O ATOM 341 CB ALA A 26 -5.603 -3.167 2.774 1.00 0.00 C ATOM 0 H ALA A 26 -7.772 -3.389 1.187 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.213 -2.298 3.884 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.831 -2.589 3.282 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.711 -4.136 3.261 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.319 -3.315 1.732 1.00 0.00 H new ATOM 347 N VAL A 27 -7.163 -0.007 2.994 1.00 0.00 N ATOM 348 CA VAL A 27 -7.073 1.372 2.530 1.00 0.00 C ATOM 349 C VAL A 27 -5.907 2.099 3.192 1.00 0.00 C ATOM 350 O VAL A 27 -6.039 2.630 4.295 1.00 0.00 O ATOM 351 CB VAL A 27 -8.374 2.146 2.814 1.00 0.00 C ATOM 352 CG1 VAL A 27 -8.267 3.576 2.305 1.00 0.00 C ATOM 353 CG2 VAL A 27 -9.564 1.436 2.188 1.00 0.00 C ATOM 0 H VAL A 27 -7.542 -0.111 3.935 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.910 1.334 1.453 1.00 0.00 H new ATOM 0 HB VAL A 27 -8.527 2.180 3.893 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -9.195 4.107 2.515 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -7.440 4.079 2.806 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -8.089 3.567 1.230 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -10.474 1.997 2.399 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.421 1.368 1.110 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -9.651 0.433 2.606 1.00 0.00 H new ATOM 363 N PHE A 28 -4.766 2.118 2.511 1.00 0.00 N ATOM 364 CA PHE A 28 -3.576 2.780 3.033 1.00 0.00 C ATOM 365 C PHE A 28 -3.781 4.290 3.106 1.00 0.00 C ATOM 366 O PHE A 28 -3.625 4.999 2.110 1.00 0.00 O ATOM 367 CB PHE A 28 -2.363 2.460 2.157 1.00 0.00 C ATOM 368 CG PHE A 28 -1.710 1.149 2.492 1.00 0.00 C ATOM 369 CD1 PHE A 28 -1.092 0.962 3.718 1.00 0.00 C ATOM 370 CD2 PHE A 28 -1.715 0.105 1.582 1.00 0.00 C ATOM 371 CE1 PHE A 28 -0.490 -0.243 4.030 1.00 0.00 C ATOM 372 CE2 PHE A 28 -1.116 -1.102 1.889 1.00 0.00 C ATOM 373 CZ PHE A 28 -0.501 -1.276 3.114 1.00 0.00 C ATOM 0 H PHE A 28 -4.640 1.683 1.597 1.00 0.00 H new ATOM 0 HA PHE A 28 -3.396 2.407 4.041 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -2.673 2.446 1.112 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -1.629 3.259 2.261 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -1.080 1.767 4.438 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -2.192 0.236 0.622 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.012 -0.376 4.989 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -1.129 -1.909 1.172 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.030 -2.218 3.354 1.00 0.00 H new ATOM 383 N THR A 29 -4.132 4.777 4.292 1.00 0.00 N ATOM 384 CA THR A 29 -4.360 6.202 4.495 1.00 0.00 C ATOM 385 C THR A 29 -3.071 6.915 4.889 1.00 0.00 C ATOM 386 O THR A 29 -2.342 6.458 5.771 1.00 0.00 O ATOM 387 CB THR A 29 -5.423 6.452 5.582 1.00 0.00 C ATOM 388 OG1 THR A 29 -5.373 5.411 6.564 1.00 0.00 O ATOM 389 CG2 THR A 29 -6.815 6.513 4.972 1.00 0.00 C ATOM 0 H THR A 29 -4.265 4.205 5.126 1.00 0.00 H new ATOM 0 HA THR A 29 -4.719 6.602 3.547 1.00 0.00 H new ATOM 0 HB THR A 29 -5.208 7.410 6.056 1.00 0.00 H new ATOM 0 HG1 THR A 29 -6.050 5.578 7.252 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.549 6.690 5.758 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.858 7.324 4.245 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.036 5.568 4.475 1.00 0.00 H new ATOM 397 N CYS A 30 -2.796 8.036 4.232 1.00 0.00 N ATOM 398 CA CYS A 30 -1.593 8.812 4.514 1.00 0.00 C ATOM 399 C CYS A 30 -1.874 10.307 4.410 1.00 0.00 C ATOM 400 O CYS A 30 -2.998 10.720 4.124 1.00 0.00 O ATOM 401 CB CYS A 30 -0.472 8.423 3.549 1.00 0.00 C ATOM 402 SG CYS A 30 -1.009 8.229 1.833 1.00 0.00 S ATOM 0 H CYS A 30 -3.389 8.428 3.501 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.278 8.590 5.534 1.00 0.00 H new ATOM 0 HB2 CYS A 30 0.308 9.183 3.590 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -0.025 7.488 3.886 1.00 0.00 H new ATOM 0 HG CYS A 30 -2.299 8.372 1.763 1.00 0.00 H new ATOM 408 N LYS A 31 -0.846 11.115 4.645 1.00 0.00 N ATOM 409 CA LYS A 31 -0.981 12.565 4.578 1.00 0.00 C ATOM 410 C LYS A 31 0.269 13.201 3.977 1.00 0.00 C ATOM 411 O LYS A 31 1.321 12.567 3.892 1.00 0.00 O ATOM 412 CB LYS A 31 -1.237 13.139 5.974 1.00 0.00 C ATOM 413 CG LYS A 31 -2.091 14.395 5.968 1.00 0.00 C ATOM 414 CD LYS A 31 -2.193 15.006 7.355 1.00 0.00 C ATOM 415 CE LYS A 31 -2.975 16.311 7.333 1.00 0.00 C ATOM 416 NZ LYS A 31 -2.995 16.968 8.669 1.00 0.00 N ATOM 0 H LYS A 31 0.091 10.790 4.884 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.830 12.796 3.935 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.726 12.380 6.586 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.281 13.362 6.447 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.664 15.123 5.279 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -3.089 14.156 5.600 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.679 14.301 8.030 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.193 15.187 7.749 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.532 16.988 6.602 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.997 16.116 7.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.537 17.854 8.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.441 16.333 9.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.021 17.177 8.968 1.00 0.00 H new ATOM 430 N THR A 32 0.146 14.458 3.562 1.00 0.00 N ATOM 431 CA THR A 32 1.266 15.179 2.969 1.00 0.00 C ATOM 432 C THR A 32 1.173 16.673 3.260 1.00 0.00 C ATOM 433 O THR A 32 0.079 17.228 3.361 1.00 0.00 O ATOM 434 CB THR A 32 1.326 14.967 1.444 1.00 0.00 C ATOM 435 OG1 THR A 32 0.064 15.296 0.853 1.00 0.00 O ATOM 436 CG2 THR A 32 1.688 13.528 1.112 1.00 0.00 C ATOM 0 H THR A 32 -0.717 14.998 3.626 1.00 0.00 H new ATOM 0 HA THR A 32 2.174 14.779 3.420 1.00 0.00 H new ATOM 0 HB THR A 32 2.097 15.622 1.039 1.00 0.00 H new ATOM 0 HG1 THR A 32 0.170 16.076 0.269 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.724 13.402 0.030 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.663 13.291 1.538 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.937 12.858 1.530 1.00 0.00 H new ATOM 444 N GLU A 33 2.328 17.318 3.392 1.00 0.00 N ATOM 445 CA GLU A 33 2.375 18.749 3.671 1.00 0.00 C ATOM 446 C GLU A 33 1.747 19.546 2.532 1.00 0.00 C ATOM 447 O GLU A 33 0.976 20.479 2.763 1.00 0.00 O ATOM 448 CB GLU A 33 3.820 19.201 3.889 1.00 0.00 C ATOM 449 CG GLU A 33 3.954 20.680 4.209 1.00 0.00 C ATOM 450 CD GLU A 33 3.492 21.017 5.613 1.00 0.00 C ATOM 451 OE1 GLU A 33 4.019 20.416 6.572 1.00 0.00 O ATOM 452 OE2 GLU A 33 2.603 21.883 5.753 1.00 0.00 O ATOM 0 H GLU A 33 3.242 16.873 3.310 1.00 0.00 H new ATOM 0 HA GLU A 33 1.803 18.935 4.580 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.254 18.621 4.703 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.401 18.978 2.994 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.995 20.981 4.091 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.372 21.258 3.491 1.00 0.00 H new ATOM 459 N HIS A 34 2.082 19.173 1.301 1.00 0.00 N ATOM 460 CA HIS A 34 1.552 19.854 0.125 1.00 0.00 C ATOM 461 C HIS A 34 0.759 18.887 -0.750 1.00 0.00 C ATOM 462 O HIS A 34 1.013 17.683 -0.775 1.00 0.00 O ATOM 463 CB HIS A 34 2.689 20.478 -0.685 1.00 0.00 C ATOM 464 CG HIS A 34 3.525 21.441 0.100 1.00 0.00 C ATOM 465 ND1 HIS A 34 2.994 22.510 0.791 1.00 0.00 N ATOM 466 CD2 HIS A 34 4.862 21.491 0.303 1.00 0.00 C ATOM 467 CE1 HIS A 34 3.968 23.176 1.384 1.00 0.00 C ATOM 468 NE2 HIS A 34 5.112 22.578 1.104 1.00 0.00 N ATOM 0 H HIS A 34 2.718 18.403 1.092 1.00 0.00 H new ATOM 0 HA HIS A 34 0.882 20.644 0.464 1.00 0.00 H new ATOM 0 HB2 HIS A 34 3.329 19.684 -1.069 1.00 0.00 H new ATOM 0 HB3 HIS A 34 2.269 20.994 -1.548 1.00 0.00 H new ATOM 0 HD2 HIS A 34 5.596 20.804 -0.092 1.00 0.00 H new ATOM 0 HE1 HIS A 34 3.849 24.059 1.994 1.00 0.00 H new ATOM 0 HE2 HIS A 34 6.032 22.875 1.430 1.00 0.00 H new ATOM 477 N PRO A 35 -0.225 19.425 -1.486 1.00 0.00 N ATOM 478 CA PRO A 35 -1.075 18.628 -2.375 1.00 0.00 C ATOM 479 C PRO A 35 -0.316 18.111 -3.592 1.00 0.00 C ATOM 480 O PRO A 35 -0.320 18.737 -4.651 1.00 0.00 O ATOM 481 CB PRO A 35 -2.164 19.615 -2.804 1.00 0.00 C ATOM 482 CG PRO A 35 -1.533 20.958 -2.668 1.00 0.00 C ATOM 483 CD PRO A 35 -0.584 20.853 -1.506 1.00 0.00 C ATOM 0 HA PRO A 35 -1.460 17.736 -1.880 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -2.484 19.430 -3.829 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -3.049 19.527 -2.173 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -1.004 21.235 -3.580 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -2.285 21.726 -2.490 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.293 21.486 -1.645 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -1.055 21.162 -0.573 1.00 0.00 H new ATOM 491 N ALA A 36 0.335 16.963 -3.434 1.00 0.00 N ATOM 492 CA ALA A 36 1.097 16.360 -4.521 1.00 0.00 C ATOM 493 C ALA A 36 0.341 16.458 -5.841 1.00 0.00 C ATOM 494 O ALA A 36 -0.879 16.620 -5.858 1.00 0.00 O ATOM 495 CB ALA A 36 1.416 14.907 -4.199 1.00 0.00 C ATOM 0 H ALA A 36 0.350 16.432 -2.563 1.00 0.00 H new ATOM 0 HA ALA A 36 2.032 16.911 -4.626 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.985 14.469 -5.019 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.004 14.858 -3.282 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.488 14.352 -4.065 1.00 0.00 H new ATOM 501 N ALA A 37 1.073 16.361 -6.946 1.00 0.00 N ATOM 502 CA ALA A 37 0.471 16.437 -8.271 1.00 0.00 C ATOM 503 C ALA A 37 0.215 15.046 -8.839 1.00 0.00 C ATOM 504 O ALA A 37 -0.511 14.888 -9.821 1.00 0.00 O ATOM 505 CB ALA A 37 1.362 17.237 -9.210 1.00 0.00 C ATOM 0 H ALA A 37 2.084 16.230 -6.949 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.489 16.945 -8.178 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.900 17.286 -10.196 1.00 0.00 H new ATOM 0 HB2 ALA A 37 1.490 18.246 -8.819 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.335 16.753 -9.289 1.00 0.00 H new ATOM 511 N THR A 38 0.815 14.037 -8.215 1.00 0.00 N ATOM 512 CA THR A 38 0.653 12.658 -8.659 1.00 0.00 C ATOM 513 C THR A 38 1.134 11.678 -7.595 1.00 0.00 C ATOM 514 O THR A 38 2.083 11.957 -6.862 1.00 0.00 O ATOM 515 CB THR A 38 1.422 12.396 -9.968 1.00 0.00 C ATOM 516 OG1 THR A 38 1.084 11.104 -10.484 1.00 0.00 O ATOM 517 CG2 THR A 38 2.924 12.479 -9.739 1.00 0.00 C ATOM 0 H THR A 38 1.418 14.149 -7.400 1.00 0.00 H new ATOM 0 HA THR A 38 -0.412 12.505 -8.835 1.00 0.00 H new ATOM 0 HB THR A 38 1.138 13.161 -10.690 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.575 10.946 -11.317 1.00 0.00 H new ATOM 0 HG21 THR A 38 3.446 12.291 -10.677 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.182 13.473 -9.374 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.221 11.733 -9.002 1.00 0.00 H new ATOM 525 N VAL A 39 0.474 10.527 -7.516 1.00 0.00 N ATOM 526 CA VAL A 39 0.835 9.503 -6.543 1.00 0.00 C ATOM 527 C VAL A 39 0.991 8.141 -7.210 1.00 0.00 C ATOM 528 O VAL A 39 0.067 7.643 -7.853 1.00 0.00 O ATOM 529 CB VAL A 39 -0.217 9.397 -5.423 1.00 0.00 C ATOM 530 CG1 VAL A 39 0.236 8.412 -4.356 1.00 0.00 C ATOM 531 CG2 VAL A 39 -0.488 10.766 -4.817 1.00 0.00 C ATOM 0 H VAL A 39 -0.314 10.280 -8.115 1.00 0.00 H new ATOM 0 HA VAL A 39 1.789 9.802 -6.108 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.146 9.025 -5.854 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.520 8.350 -3.573 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.375 7.428 -4.804 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.178 8.750 -3.925 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.234 10.673 -4.027 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.435 11.168 -4.399 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.860 11.439 -5.590 1.00 0.00 H new ATOM 541 N THR A 40 2.167 7.542 -7.052 1.00 0.00 N ATOM 542 CA THR A 40 2.445 6.237 -7.639 1.00 0.00 C ATOM 543 C THR A 40 2.761 5.206 -6.562 1.00 0.00 C ATOM 544 O THR A 40 3.879 5.152 -6.050 1.00 0.00 O ATOM 545 CB THR A 40 3.623 6.306 -8.629 1.00 0.00 C ATOM 546 OG1 THR A 40 3.263 7.103 -9.763 1.00 0.00 O ATOM 547 CG2 THR A 40 4.025 4.913 -9.090 1.00 0.00 C ATOM 0 H THR A 40 2.943 7.940 -6.522 1.00 0.00 H new ATOM 0 HA THR A 40 1.546 5.934 -8.176 1.00 0.00 H new ATOM 0 HB THR A 40 4.472 6.762 -8.119 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.018 7.144 -10.387 1.00 0.00 H new ATOM 0 HG21 THR A 40 4.859 4.987 -9.788 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.326 4.317 -8.228 1.00 0.00 H new ATOM 0 HG23 THR A 40 3.179 4.435 -9.584 1.00 0.00 H new ATOM 555 N TRP A 41 1.771 4.388 -6.223 1.00 0.00 N ATOM 556 CA TRP A 41 1.945 3.357 -5.206 1.00 0.00 C ATOM 557 C TRP A 41 2.714 2.165 -5.766 1.00 0.00 C ATOM 558 O TRP A 41 2.517 1.773 -6.916 1.00 0.00 O ATOM 559 CB TRP A 41 0.584 2.900 -4.677 1.00 0.00 C ATOM 560 CG TRP A 41 -0.225 4.011 -4.080 1.00 0.00 C ATOM 561 CD1 TRP A 41 -0.899 4.988 -4.754 1.00 0.00 C ATOM 562 CD2 TRP A 41 -0.443 4.258 -2.686 1.00 0.00 C ATOM 563 NE1 TRP A 41 -1.523 5.829 -3.864 1.00 0.00 N ATOM 564 CE2 TRP A 41 -1.259 5.402 -2.590 1.00 0.00 C ATOM 565 CE3 TRP A 41 -0.030 3.625 -1.512 1.00 0.00 C ATOM 566 CZ2 TRP A 41 -1.668 5.924 -1.365 1.00 0.00 C ATOM 567 CZ3 TRP A 41 -0.435 4.143 -0.297 1.00 0.00 C ATOM 568 CH2 TRP A 41 -1.248 5.283 -0.231 1.00 0.00 C ATOM 0 H TRP A 41 0.839 4.419 -6.637 1.00 0.00 H new ATOM 0 HA TRP A 41 2.521 3.784 -4.385 1.00 0.00 H new ATOM 0 HB2 TRP A 41 0.019 2.446 -5.492 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.736 2.126 -3.925 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -0.936 5.086 -5.829 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -2.090 6.639 -4.112 1.00 0.00 H new ATOM 0 HE3 TRP A 41 0.595 2.745 -1.553 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -2.294 6.803 -1.312 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -0.120 3.662 0.617 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -1.549 5.663 0.734 1.00 0.00 H new ATOM 579 N ARG A 42 3.589 1.594 -4.946 1.00 0.00 N ATOM 580 CA ARG A 42 4.388 0.447 -5.360 1.00 0.00 C ATOM 581 C ARG A 42 4.309 -0.673 -4.326 1.00 0.00 C ATOM 582 O ARG A 42 4.597 -0.466 -3.147 1.00 0.00 O ATOM 583 CB ARG A 42 5.846 0.862 -5.567 1.00 0.00 C ATOM 584 CG ARG A 42 6.796 -0.313 -5.735 1.00 0.00 C ATOM 585 CD ARG A 42 8.231 0.083 -5.425 1.00 0.00 C ATOM 586 NE ARG A 42 8.532 1.441 -5.869 1.00 0.00 N ATOM 587 CZ ARG A 42 9.696 2.043 -5.653 1.00 0.00 C ATOM 588 NH1 ARG A 42 10.664 1.411 -5.004 1.00 0.00 N ATOM 589 NH2 ARG A 42 9.895 3.281 -6.088 1.00 0.00 N ATOM 0 H ARG A 42 3.763 1.907 -3.991 1.00 0.00 H new ATOM 0 HA ARG A 42 3.985 0.077 -6.303 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.912 1.500 -6.448 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.169 1.461 -4.715 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.491 -1.126 -5.076 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.734 -0.690 -6.756 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.405 0.006 -4.352 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.913 -0.616 -5.909 1.00 0.00 H new ATOM 0 HE ARG A 42 7.809 1.955 -6.372 1.00 0.00 H new ATOM 0 HH11 ARG A 42 10.516 0.459 -4.669 1.00 0.00 H new ATOM 0 HH12 ARG A 42 11.557 1.877 -4.840 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.154 3.771 -6.589 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.789 3.742 -5.922 1.00 0.00 H new ATOM 603 N LYS A 43 3.915 -1.859 -4.776 1.00 0.00 N ATOM 604 CA LYS A 43 3.798 -3.013 -3.892 1.00 0.00 C ATOM 605 C LYS A 43 5.092 -3.820 -3.876 1.00 0.00 C ATOM 606 O LYS A 43 5.423 -4.502 -4.845 1.00 0.00 O ATOM 607 CB LYS A 43 2.635 -3.904 -4.334 1.00 0.00 C ATOM 608 CG LYS A 43 2.674 -5.298 -3.733 1.00 0.00 C ATOM 609 CD LYS A 43 1.711 -6.237 -4.438 1.00 0.00 C ATOM 610 CE LYS A 43 0.336 -6.217 -3.789 1.00 0.00 C ATOM 611 NZ LYS A 43 -0.727 -6.682 -4.723 1.00 0.00 N ATOM 0 H LYS A 43 3.671 -2.047 -5.748 1.00 0.00 H new ATOM 0 HA LYS A 43 3.606 -2.648 -2.883 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.696 -3.425 -4.058 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.644 -3.986 -5.421 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.686 -5.696 -3.801 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.422 -5.246 -2.674 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.624 -5.950 -5.486 1.00 0.00 H new ATOM 0 HD3 LYS A 43 2.110 -7.251 -4.417 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.344 -6.852 -2.903 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.108 -5.205 -3.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.602 -6.864 -4.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.904 -5.950 -5.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.419 -7.558 -5.192 1.00 0.00 H new ATOM 670 N GLU A 47 5.083 -1.990 -9.394 1.00 0.00 N ATOM 671 CA GLU A 47 4.390 -0.707 -9.435 1.00 0.00 C ATOM 672 C GLU A 47 2.882 -0.907 -9.553 1.00 0.00 C ATOM 673 O GLU A 47 2.416 -1.798 -10.265 1.00 0.00 O ATOM 674 CB GLU A 47 4.898 0.134 -10.608 1.00 0.00 C ATOM 675 CG GLU A 47 4.455 1.587 -10.551 1.00 0.00 C ATOM 676 CD GLU A 47 5.138 2.446 -11.597 1.00 0.00 C ATOM 677 OE1 GLU A 47 6.386 2.438 -11.650 1.00 0.00 O ATOM 678 OE2 GLU A 47 4.424 3.127 -12.363 1.00 0.00 O ATOM 0 HA GLU A 47 4.597 -0.181 -8.503 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.987 0.095 -10.627 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.547 -0.308 -11.540 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.375 1.640 -10.691 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.668 1.989 -9.560 1.00 0.00 H new ATOM 685 N LEU A 48 2.124 -0.073 -8.850 1.00 0.00 N ATOM 686 CA LEU A 48 0.668 -0.158 -8.874 1.00 0.00 C ATOM 687 C LEU A 48 0.075 0.923 -9.774 1.00 0.00 C ATOM 688 O LEU A 48 0.739 1.907 -10.099 1.00 0.00 O ATOM 689 CB LEU A 48 0.106 -0.023 -7.458 1.00 0.00 C ATOM 690 CG LEU A 48 0.821 -0.829 -6.373 1.00 0.00 C ATOM 691 CD1 LEU A 48 0.120 -0.660 -5.034 1.00 0.00 C ATOM 692 CD2 LEU A 48 0.890 -2.300 -6.759 1.00 0.00 C ATOM 0 H LEU A 48 2.493 0.670 -8.256 1.00 0.00 H new ATOM 0 HA LEU A 48 0.392 -1.133 -9.276 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.132 1.030 -7.177 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.942 -0.323 -7.474 1.00 0.00 H new ATOM 0 HG LEU A 48 1.839 -0.451 -6.278 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.643 -1.241 -4.274 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.123 0.393 -4.752 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.909 -1.011 -5.115 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.402 -2.858 -5.975 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.120 -2.691 -6.883 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.437 -2.405 -7.696 1.00 0.00 H new ATOM 704 N ARG A 49 -1.179 0.732 -10.170 1.00 0.00 N ATOM 705 CA ARG A 49 -1.862 1.691 -11.031 1.00 0.00 C ATOM 706 C ARG A 49 -3.350 1.753 -10.702 1.00 0.00 C ATOM 707 O ARG A 49 -3.900 0.837 -10.091 1.00 0.00 O ATOM 708 CB ARG A 49 -1.669 1.316 -12.501 1.00 0.00 C ATOM 709 CG ARG A 49 -2.498 0.119 -12.939 1.00 0.00 C ATOM 710 CD ARG A 49 -1.787 -1.191 -12.639 1.00 0.00 C ATOM 711 NE ARG A 49 -0.923 -1.609 -13.740 1.00 0.00 N ATOM 712 CZ ARG A 49 -0.509 -2.859 -13.915 1.00 0.00 C ATOM 713 NH1 ARG A 49 -0.878 -3.808 -13.067 1.00 0.00 N ATOM 714 NH2 ARG A 49 0.276 -3.161 -14.942 1.00 0.00 N ATOM 0 H ARG A 49 -1.743 -0.077 -9.909 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.427 2.675 -10.854 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.928 2.173 -13.123 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.615 1.101 -12.677 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.461 0.136 -12.429 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.701 0.187 -14.008 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.192 -1.081 -11.733 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.526 -1.968 -12.443 1.00 0.00 H new ATOM 0 HE ARG A 49 -0.621 -0.903 -14.411 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.482 -3.580 -12.277 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -0.558 -4.767 -13.204 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.561 -2.433 -15.597 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.594 -4.121 -15.076 1.00 0.00 H new ATOM 728 N ALA A 50 -3.997 2.840 -11.110 1.00 0.00 N ATOM 729 CA ALA A 50 -5.421 3.021 -10.860 1.00 0.00 C ATOM 730 C ALA A 50 -6.246 1.979 -11.607 1.00 0.00 C ATOM 731 O ALA A 50 -6.447 2.083 -12.817 1.00 0.00 O ATOM 732 CB ALA A 50 -5.853 4.425 -11.259 1.00 0.00 C ATOM 0 H ALA A 50 -3.557 3.609 -11.615 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.597 2.888 -9.793 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.919 4.546 -11.067 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.294 5.157 -10.676 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.656 4.579 -12.320 1.00 0.00 H new ATOM 738 N SER A 51 -6.723 0.975 -10.878 1.00 0.00 N ATOM 739 CA SER A 51 -7.523 -0.089 -11.473 1.00 0.00 C ATOM 740 C SER A 51 -8.456 -0.711 -10.438 1.00 0.00 C ATOM 741 O SER A 51 -8.311 -0.482 -9.238 1.00 0.00 O ATOM 742 CB SER A 51 -6.615 -1.166 -12.070 1.00 0.00 C ATOM 743 OG SER A 51 -7.261 -1.849 -13.130 1.00 0.00 O ATOM 0 H SER A 51 -6.569 0.876 -9.874 1.00 0.00 H new ATOM 0 HA SER A 51 -8.129 0.347 -12.268 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.695 -0.709 -12.435 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.331 -1.877 -11.294 1.00 0.00 H new ATOM 0 HG SER A 51 -6.659 -2.531 -13.495 1.00 0.00 H new ATOM 749 N GLY A 52 -9.416 -1.499 -10.914 1.00 0.00 N ATOM 750 CA GLY A 52 -10.360 -2.142 -10.018 1.00 0.00 C ATOM 751 C GLY A 52 -9.711 -2.608 -8.730 1.00 0.00 C ATOM 752 O GLY A 52 -10.344 -2.617 -7.674 1.00 0.00 O ATOM 0 H GLY A 52 -9.557 -1.703 -11.903 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.166 -1.446 -9.784 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -10.812 -2.996 -10.523 1.00 0.00 H new ATOM 756 N LYS A 53 -8.444 -2.998 -8.815 1.00 0.00 N ATOM 757 CA LYS A 53 -7.707 -3.468 -7.648 1.00 0.00 C ATOM 758 C LYS A 53 -7.206 -2.295 -6.812 1.00 0.00 C ATOM 759 O LYS A 53 -7.684 -2.062 -5.701 1.00 0.00 O ATOM 760 CB LYS A 53 -6.527 -4.341 -8.081 1.00 0.00 C ATOM 761 CG LYS A 53 -5.914 -5.143 -6.946 1.00 0.00 C ATOM 762 CD LYS A 53 -6.896 -6.159 -6.387 1.00 0.00 C ATOM 763 CE LYS A 53 -6.256 -7.018 -5.307 1.00 0.00 C ATOM 764 NZ LYS A 53 -5.378 -8.072 -5.886 1.00 0.00 N ATOM 0 H LYS A 53 -7.905 -2.998 -9.681 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.386 -4.063 -7.037 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -6.860 -5.026 -8.860 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.759 -3.706 -8.522 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -5.021 -5.657 -7.303 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -5.597 -4.467 -6.152 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -7.762 -5.641 -5.975 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -7.259 -6.797 -7.193 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.672 -6.386 -4.638 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.035 -7.485 -4.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.947 -8.625 -5.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.943 -8.701 -6.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.629 -7.627 -6.454 1.00 0.00 H new ATOM 778 N HIS A 54 -6.240 -1.559 -7.353 1.00 0.00 N ATOM 779 CA HIS A 54 -5.675 -0.408 -6.657 1.00 0.00 C ATOM 780 C HIS A 54 -6.261 0.894 -7.196 1.00 0.00 C ATOM 781 O HIS A 54 -5.883 1.355 -8.272 1.00 0.00 O ATOM 782 CB HIS A 54 -4.153 -0.395 -6.802 1.00 0.00 C ATOM 783 CG HIS A 54 -3.536 -1.759 -6.761 1.00 0.00 C ATOM 784 ND1 HIS A 54 -3.122 -2.431 -7.892 1.00 0.00 N ATOM 785 CD2 HIS A 54 -3.260 -2.576 -5.718 1.00 0.00 C ATOM 786 CE1 HIS A 54 -2.621 -3.603 -7.546 1.00 0.00 C ATOM 787 NE2 HIS A 54 -2.693 -3.716 -6.232 1.00 0.00 N ATOM 0 H HIS A 54 -5.832 -1.739 -8.271 1.00 0.00 H new ATOM 0 HA HIS A 54 -5.931 -0.491 -5.601 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -3.890 0.086 -7.744 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -3.725 0.212 -6.004 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -3.450 -2.370 -4.675 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -2.220 -4.343 -8.223 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -2.379 -4.519 -5.688 1.00 0.00 H new ATOM 796 N GLN A 55 -7.185 1.479 -6.440 1.00 0.00 N ATOM 797 CA GLN A 55 -7.823 2.726 -6.843 1.00 0.00 C ATOM 798 C GLN A 55 -7.495 3.847 -5.862 1.00 0.00 C ATOM 799 O GLN A 55 -8.212 4.083 -4.889 1.00 0.00 O ATOM 800 CB GLN A 55 -9.338 2.541 -6.937 1.00 0.00 C ATOM 801 CG GLN A 55 -9.818 2.143 -8.323 1.00 0.00 C ATOM 802 CD GLN A 55 -10.178 3.339 -9.182 1.00 0.00 C ATOM 803 OE1 GLN A 55 -10.584 4.384 -8.673 1.00 0.00 O ATOM 804 NE2 GLN A 55 -10.030 3.193 -10.494 1.00 0.00 N ATOM 0 H GLN A 55 -7.508 1.109 -5.546 1.00 0.00 H new ATOM 0 HA GLN A 55 -7.437 3.002 -7.824 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -9.648 1.779 -6.222 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -9.828 3.470 -6.645 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -9.040 1.564 -8.821 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -10.688 1.493 -8.229 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -9.690 2.309 -10.874 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -10.256 3.965 -11.122 1.00 0.00 H new ATOM 813 N PRO A 56 -6.386 4.556 -6.122 1.00 0.00 N ATOM 814 CA PRO A 56 -5.938 5.664 -5.273 1.00 0.00 C ATOM 815 C PRO A 56 -6.855 6.878 -5.373 1.00 0.00 C ATOM 816 O PRO A 56 -7.806 6.887 -6.154 1.00 0.00 O ATOM 817 CB PRO A 56 -4.550 5.995 -5.826 1.00 0.00 C ATOM 818 CG PRO A 56 -4.587 5.536 -7.242 1.00 0.00 C ATOM 819 CD PRO A 56 -5.484 4.330 -7.263 1.00 0.00 C ATOM 0 HA PRO A 56 -5.938 5.394 -4.217 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -4.343 7.063 -5.761 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -3.768 5.484 -5.264 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.971 6.319 -7.896 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -3.587 5.285 -7.597 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -6.034 4.254 -8.201 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.917 3.406 -7.150 1.00 0.00 H new ATOM 827 N SER A 57 -6.563 7.902 -4.577 1.00 0.00 N ATOM 828 CA SER A 57 -7.364 9.120 -4.574 1.00 0.00 C ATOM 829 C SER A 57 -6.524 10.321 -4.149 1.00 0.00 C ATOM 830 O SER A 57 -5.357 10.178 -3.786 1.00 0.00 O ATOM 831 CB SER A 57 -8.563 8.965 -3.637 1.00 0.00 C ATOM 832 OG SER A 57 -9.389 7.887 -4.040 1.00 0.00 O ATOM 0 H SER A 57 -5.778 7.912 -3.926 1.00 0.00 H new ATOM 0 HA SER A 57 -7.725 9.291 -5.588 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.213 8.798 -2.618 1.00 0.00 H new ATOM 0 HB3 SER A 57 -9.143 9.888 -3.628 1.00 0.00 H new ATOM 0 HG SER A 57 -10.147 7.808 -3.424 1.00 0.00 H new ATOM 838 N GLN A 58 -7.128 11.504 -4.198 1.00 0.00 N ATOM 839 CA GLN A 58 -6.436 12.731 -3.819 1.00 0.00 C ATOM 840 C GLN A 58 -7.417 13.764 -3.277 1.00 0.00 C ATOM 841 O GLN A 58 -8.173 14.373 -4.034 1.00 0.00 O ATOM 842 CB GLN A 58 -5.681 13.307 -5.019 1.00 0.00 C ATOM 843 CG GLN A 58 -4.885 14.560 -4.692 1.00 0.00 C ATOM 844 CD GLN A 58 -3.654 14.713 -5.564 1.00 0.00 C ATOM 845 OE1 GLN A 58 -3.743 14.696 -6.792 1.00 0.00 O ATOM 846 NE2 GLN A 58 -2.496 14.866 -4.932 1.00 0.00 N ATOM 0 H GLN A 58 -8.094 11.639 -4.496 1.00 0.00 H new ATOM 0 HA GLN A 58 -5.722 12.488 -3.032 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -5.004 12.548 -5.410 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -6.394 13.536 -5.811 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -5.524 15.434 -4.815 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.583 14.531 -3.645 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.469 14.874 -3.912 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.634 14.975 -5.466 1.00 0.00 H new ATOM 855 N GLU A 59 -7.400 13.956 -1.962 1.00 0.00 N ATOM 856 CA GLU A 59 -8.291 14.916 -1.319 1.00 0.00 C ATOM 857 C GLU A 59 -7.494 15.973 -0.559 1.00 0.00 C ATOM 858 O GLU A 59 -7.235 15.831 0.635 1.00 0.00 O ATOM 859 CB GLU A 59 -9.247 14.198 -0.364 1.00 0.00 C ATOM 860 CG GLU A 59 -10.538 13.744 -1.024 1.00 0.00 C ATOM 861 CD GLU A 59 -11.326 14.895 -1.618 1.00 0.00 C ATOM 862 OE1 GLU A 59 -12.085 15.543 -0.867 1.00 0.00 O ATOM 863 OE2 GLU A 59 -11.185 15.147 -2.832 1.00 0.00 O ATOM 0 H GLU A 59 -6.780 13.460 -1.321 1.00 0.00 H new ATOM 0 HA GLU A 59 -8.871 15.412 -2.097 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -8.741 13.331 0.060 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -9.487 14.864 0.465 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.307 13.024 -1.809 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.155 13.227 -0.289 1.00 0.00 H new ATOM 870 N GLY A 60 -7.108 17.034 -1.262 1.00 0.00 N ATOM 871 CA GLY A 60 -6.344 18.099 -0.639 1.00 0.00 C ATOM 872 C GLY A 60 -4.984 17.633 -0.160 1.00 0.00 C ATOM 873 O GLY A 60 -4.087 17.378 -0.966 1.00 0.00 O ATOM 0 H GLY A 60 -7.311 17.175 -2.252 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.215 18.914 -1.351 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.906 18.499 0.205 1.00 0.00 H new ATOM 877 N LEU A 61 -4.827 17.522 1.154 1.00 0.00 N ATOM 878 CA LEU A 61 -3.565 17.086 1.740 1.00 0.00 C ATOM 879 C LEU A 61 -3.690 15.679 2.317 1.00 0.00 C ATOM 880 O LEU A 61 -2.899 15.273 3.169 1.00 0.00 O ATOM 881 CB LEU A 61 -3.123 18.060 2.833 1.00 0.00 C ATOM 882 CG LEU A 61 -2.764 19.472 2.369 1.00 0.00 C ATOM 883 CD1 LEU A 61 -2.494 20.375 3.563 1.00 0.00 C ATOM 884 CD2 LEU A 61 -1.559 19.438 1.440 1.00 0.00 C ATOM 0 H LEU A 61 -5.559 17.728 1.834 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.813 17.070 0.951 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.922 18.134 3.571 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.258 17.635 3.342 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.612 19.878 1.817 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.240 21.375 3.213 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.384 20.425 4.190 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.664 19.972 4.143 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.318 20.452 1.120 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.705 19.011 1.967 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.789 18.827 0.567 1.00 0.00 H new ATOM 896 N THR A 62 -4.688 14.938 1.846 1.00 0.00 N ATOM 897 CA THR A 62 -4.917 13.577 2.314 1.00 0.00 C ATOM 898 C THR A 62 -4.959 12.595 1.149 1.00 0.00 C ATOM 899 O THR A 62 -5.736 12.765 0.209 1.00 0.00 O ATOM 900 CB THR A 62 -6.232 13.470 3.109 1.00 0.00 C ATOM 901 OG1 THR A 62 -6.370 14.596 3.982 1.00 0.00 O ATOM 902 CG2 THR A 62 -6.269 12.184 3.922 1.00 0.00 C ATOM 0 H THR A 62 -5.351 15.258 1.140 1.00 0.00 H new ATOM 0 HA THR A 62 -4.084 13.324 2.969 1.00 0.00 H new ATOM 0 HB THR A 62 -7.060 13.457 2.400 1.00 0.00 H new ATOM 0 HG1 THR A 62 -7.209 14.521 4.482 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.207 12.130 4.475 1.00 0.00 H new ATOM 0 HG22 THR A 62 -6.193 11.328 3.252 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.434 12.172 4.622 1.00 0.00 H new ATOM 910 N LEU A 63 -4.120 11.568 1.217 1.00 0.00 N ATOM 911 CA LEU A 63 -4.061 10.557 0.167 1.00 0.00 C ATOM 912 C LEU A 63 -4.370 9.172 0.727 1.00 0.00 C ATOM 913 O LEU A 63 -4.035 8.865 1.871 1.00 0.00 O ATOM 914 CB LEU A 63 -2.681 10.557 -0.492 1.00 0.00 C ATOM 915 CG LEU A 63 -2.161 11.916 -0.960 1.00 0.00 C ATOM 916 CD1 LEU A 63 -0.643 11.901 -1.062 1.00 0.00 C ATOM 917 CD2 LEU A 63 -2.783 12.294 -2.296 1.00 0.00 C ATOM 0 H LEU A 63 -3.471 11.413 1.988 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.814 10.802 -0.582 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.963 10.139 0.214 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.711 9.886 -1.351 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.448 12.666 -0.223 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.291 12.877 -1.397 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.215 11.676 -0.085 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.334 11.139 -1.778 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.401 13.264 -2.614 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.527 11.542 -3.042 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.867 12.347 -2.191 1.00 0.00 H new ATOM 929 N ARG A 64 -5.009 8.339 -0.088 1.00 0.00 N ATOM 930 CA ARG A 64 -5.362 6.986 0.326 1.00 0.00 C ATOM 931 C ARG A 64 -5.468 6.059 -0.881 1.00 0.00 C ATOM 932 O ARG A 64 -5.773 6.498 -1.991 1.00 0.00 O ATOM 933 CB ARG A 64 -6.685 6.993 1.094 1.00 0.00 C ATOM 934 CG ARG A 64 -7.891 7.315 0.227 1.00 0.00 C ATOM 935 CD ARG A 64 -9.166 7.392 1.053 1.00 0.00 C ATOM 936 NE ARG A 64 -9.788 6.081 1.221 1.00 0.00 N ATOM 937 CZ ARG A 64 -10.647 5.796 2.193 1.00 0.00 C ATOM 938 NH1 ARG A 64 -10.984 6.723 3.079 1.00 0.00 N ATOM 939 NH2 ARG A 64 -11.172 4.580 2.281 1.00 0.00 N ATOM 0 H ARG A 64 -5.293 8.577 -1.038 1.00 0.00 H new ATOM 0 HA ARG A 64 -4.572 6.616 0.980 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.831 6.017 1.557 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.623 7.723 1.901 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.730 8.264 -0.285 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.001 6.552 -0.544 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.939 7.814 2.032 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.871 8.069 0.570 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.550 5.345 0.556 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.583 7.659 3.015 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -11.644 6.500 3.824 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -10.916 3.863 1.602 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -11.832 4.362 3.028 1.00 0.00 H new ATOM 953 N LEU A 65 -5.214 4.774 -0.658 1.00 0.00 N ATOM 954 CA LEU A 65 -5.280 3.784 -1.727 1.00 0.00 C ATOM 955 C LEU A 65 -6.122 2.584 -1.306 1.00 0.00 C ATOM 956 O LEU A 65 -5.724 1.804 -0.440 1.00 0.00 O ATOM 957 CB LEU A 65 -3.872 3.324 -2.110 1.00 0.00 C ATOM 958 CG LEU A 65 -3.791 2.220 -3.166 1.00 0.00 C ATOM 959 CD1 LEU A 65 -4.093 2.780 -4.547 1.00 0.00 C ATOM 960 CD2 LEU A 65 -2.419 1.561 -3.144 1.00 0.00 C ATOM 0 H LEU A 65 -4.960 4.393 0.254 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.752 4.250 -2.592 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.315 4.188 -2.473 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.368 2.975 -1.209 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.540 1.463 -2.932 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -4.031 1.981 -5.285 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.097 3.205 -4.556 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.368 3.557 -4.791 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.379 0.778 -3.901 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.653 2.308 -3.353 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.241 1.124 -2.161 1.00 0.00 H new ATOM 972 N THR A 66 -7.289 2.439 -1.927 1.00 0.00 N ATOM 973 CA THR A 66 -8.187 1.334 -1.619 1.00 0.00 C ATOM 974 C THR A 66 -7.769 0.064 -2.351 1.00 0.00 C ATOM 975 O THR A 66 -7.625 0.061 -3.574 1.00 0.00 O ATOM 976 CB THR A 66 -9.643 1.673 -1.991 1.00 0.00 C ATOM 977 OG1 THR A 66 -10.018 2.928 -1.413 1.00 0.00 O ATOM 978 CG2 THR A 66 -10.591 0.584 -1.512 1.00 0.00 C ATOM 0 H THR A 66 -7.634 3.074 -2.647 1.00 0.00 H new ATOM 0 HA THR A 66 -8.124 1.166 -0.544 1.00 0.00 H new ATOM 0 HB THR A 66 -9.711 1.740 -3.077 1.00 0.00 H new ATOM 0 HG1 THR A 66 -10.944 3.136 -1.656 1.00 0.00 H new ATOM 0 HG21 THR A 66 -11.613 0.845 -1.786 1.00 0.00 H new ATOM 0 HG22 THR A 66 -10.321 -0.364 -1.978 1.00 0.00 H new ATOM 0 HG23 THR A 66 -10.519 0.489 -0.429 1.00 0.00 H new ATOM 986 N ILE A 67 -7.576 -1.012 -1.597 1.00 0.00 N ATOM 987 CA ILE A 67 -7.176 -2.288 -2.176 1.00 0.00 C ATOM 988 C ILE A 67 -8.128 -3.404 -1.759 1.00 0.00 C ATOM 989 O ILE A 67 -8.017 -3.951 -0.662 1.00 0.00 O ATOM 990 CB ILE A 67 -5.743 -2.671 -1.761 1.00 0.00 C ATOM 991 CG1 ILE A 67 -4.797 -1.484 -1.962 1.00 0.00 C ATOM 992 CG2 ILE A 67 -5.265 -3.876 -2.556 1.00 0.00 C ATOM 993 CD1 ILE A 67 -3.526 -1.580 -1.146 1.00 0.00 C ATOM 0 H ILE A 67 -7.690 -1.026 -0.583 1.00 0.00 H new ATOM 0 HA ILE A 67 -7.212 -2.167 -3.259 1.00 0.00 H new ATOM 0 HB ILE A 67 -5.745 -2.936 -0.704 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.537 -1.412 -3.018 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.320 -0.564 -1.699 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.251 -4.134 -2.251 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.927 -4.722 -2.368 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -5.274 -3.637 -3.619 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.904 -0.706 -1.338 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.776 -1.621 -0.086 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.981 -2.482 -1.426 1.00 0.00 H new ATOM 1005 N SER A 68 -9.063 -3.737 -2.643 1.00 0.00 N ATOM 1006 CA SER A 68 -10.037 -4.787 -2.366 1.00 0.00 C ATOM 1007 C SER A 68 -9.577 -6.121 -2.945 1.00 0.00 C ATOM 1008 O SER A 68 -8.738 -6.164 -3.844 1.00 0.00 O ATOM 1009 CB SER A 68 -11.402 -4.410 -2.945 1.00 0.00 C ATOM 1010 OG SER A 68 -11.824 -3.142 -2.474 1.00 0.00 O ATOM 0 H SER A 68 -9.167 -3.295 -3.557 1.00 0.00 H new ATOM 0 HA SER A 68 -10.125 -4.892 -1.285 1.00 0.00 H new ATOM 0 HB2 SER A 68 -11.348 -4.397 -4.034 1.00 0.00 H new ATOM 0 HB3 SER A 68 -12.138 -5.166 -2.671 1.00 0.00 H new ATOM 0 HG SER A 68 -12.698 -2.924 -2.860 1.00 0.00 H new ATOM 1016 N ALA A 69 -10.133 -7.209 -2.422 1.00 0.00 N ATOM 1017 CA ALA A 69 -9.782 -8.545 -2.887 1.00 0.00 C ATOM 1018 C ALA A 69 -8.350 -8.902 -2.503 1.00 0.00 C ATOM 1019 O ALA A 69 -7.631 -9.541 -3.272 1.00 0.00 O ATOM 1020 CB ALA A 69 -9.967 -8.645 -4.394 1.00 0.00 C ATOM 0 H ALA A 69 -10.828 -7.191 -1.676 1.00 0.00 H new ATOM 0 HA ALA A 69 -10.449 -9.258 -2.402 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -9.701 -9.648 -4.727 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -11.008 -8.442 -4.647 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -9.325 -7.916 -4.889 1.00 0.00 H new ATOM 1026 N LEU A 70 -7.941 -8.484 -1.310 1.00 0.00 N ATOM 1027 CA LEU A 70 -6.593 -8.759 -0.824 1.00 0.00 C ATOM 1028 C LEU A 70 -6.237 -10.231 -1.011 1.00 0.00 C ATOM 1029 O LEU A 70 -7.056 -11.023 -1.474 1.00 0.00 O ATOM 1030 CB LEU A 70 -6.475 -8.378 0.653 1.00 0.00 C ATOM 1031 CG LEU A 70 -6.864 -6.943 1.009 1.00 0.00 C ATOM 1032 CD1 LEU A 70 -7.094 -6.808 2.506 1.00 0.00 C ATOM 1033 CD2 LEU A 70 -5.793 -5.968 0.542 1.00 0.00 C ATOM 0 H LEU A 70 -8.523 -7.954 -0.662 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.894 -8.158 -1.405 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.099 -9.057 1.234 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.445 -8.543 0.969 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.795 -6.702 0.496 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.370 -5.780 2.740 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.897 -7.478 2.813 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -6.180 -7.069 3.040 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.087 -4.952 0.804 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.846 -6.208 1.026 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.677 -6.045 -0.539 1.00 0.00 H new ATOM 1045 N GLU A 71 -5.009 -10.588 -0.645 1.00 0.00 N ATOM 1046 CA GLU A 71 -4.546 -11.964 -0.772 1.00 0.00 C ATOM 1047 C GLU A 71 -3.231 -12.167 -0.023 1.00 0.00 C ATOM 1048 O GLU A 71 -2.446 -11.233 0.141 1.00 0.00 O ATOM 1049 CB GLU A 71 -4.367 -12.332 -2.246 1.00 0.00 C ATOM 1050 CG GLU A 71 -3.453 -11.384 -3.004 1.00 0.00 C ATOM 1051 CD GLU A 71 -3.771 -11.326 -4.485 1.00 0.00 C ATOM 1052 OE1 GLU A 71 -4.088 -12.385 -5.066 1.00 0.00 O ATOM 1053 OE2 GLU A 71 -3.703 -10.222 -5.064 1.00 0.00 O ATOM 0 H GLU A 71 -4.319 -9.944 -0.259 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.300 -12.616 -0.331 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -3.964 -13.343 -2.313 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.344 -12.346 -2.729 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -3.539 -10.384 -2.578 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -2.418 -11.699 -2.871 1.00 0.00 H new ATOM 1060 N LYS A 72 -2.998 -13.394 0.429 1.00 0.00 N ATOM 1061 CA LYS A 72 -1.780 -13.722 1.160 1.00 0.00 C ATOM 1062 C LYS A 72 -0.569 -13.035 0.536 1.00 0.00 C ATOM 1063 O LYS A 72 0.272 -12.477 1.240 1.00 0.00 O ATOM 1064 CB LYS A 72 -1.565 -15.237 1.181 1.00 0.00 C ATOM 1065 CG LYS A 72 -2.685 -16.001 1.866 1.00 0.00 C ATOM 1066 CD LYS A 72 -2.195 -17.326 2.426 1.00 0.00 C ATOM 1067 CE LYS A 72 -1.627 -17.162 3.827 1.00 0.00 C ATOM 1068 NZ LYS A 72 -1.000 -18.419 4.321 1.00 0.00 N ATOM 0 H LYS A 72 -3.637 -14.179 0.302 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.893 -13.363 2.183 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.466 -15.596 0.156 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.625 -15.455 1.688 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -3.100 -15.396 2.672 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.491 -16.181 1.155 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.018 -18.040 2.447 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.431 -17.740 1.768 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.887 -16.362 3.828 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.422 -16.861 4.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -0.625 -18.267 5.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.712 -19.176 4.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.224 -18.693 3.685 1.00 0.00 H new ATOM 1082 N ALA A 73 -0.488 -13.078 -0.790 1.00 0.00 N ATOM 1083 CA ALA A 73 0.617 -12.457 -1.509 1.00 0.00 C ATOM 1084 C ALA A 73 0.652 -10.952 -1.267 1.00 0.00 C ATOM 1085 O ALA A 73 1.724 -10.355 -1.164 1.00 0.00 O ATOM 1086 CB ALA A 73 0.511 -12.752 -2.998 1.00 0.00 C ATOM 0 H ALA A 73 -1.175 -13.537 -1.388 1.00 0.00 H new ATOM 0 HA ALA A 73 1.547 -12.881 -1.132 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.343 -12.282 -3.522 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.543 -13.830 -3.159 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.429 -12.356 -3.381 1.00 0.00 H new ATOM 1092 N ASP A 74 -0.526 -10.344 -1.178 1.00 0.00 N ATOM 1093 CA ASP A 74 -0.630 -8.908 -0.948 1.00 0.00 C ATOM 1094 C ASP A 74 0.312 -8.466 0.167 1.00 0.00 C ATOM 1095 O ASP A 74 0.920 -7.398 0.094 1.00 0.00 O ATOM 1096 CB ASP A 74 -2.070 -8.529 -0.597 1.00 0.00 C ATOM 1097 CG ASP A 74 -2.396 -7.094 -0.960 1.00 0.00 C ATOM 1098 OD1 ASP A 74 -2.355 -6.763 -2.163 1.00 0.00 O ATOM 1099 OD2 ASP A 74 -2.691 -6.301 -0.041 1.00 0.00 O ATOM 0 H ASP A 74 -1.422 -10.824 -1.262 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.341 -8.396 -1.866 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -2.756 -9.197 -1.118 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.231 -8.676 0.471 1.00 0.00 H new ATOM 1104 N SER A 75 0.427 -9.295 1.200 1.00 0.00 N ATOM 1105 CA SER A 75 1.291 -8.988 2.334 1.00 0.00 C ATOM 1106 C SER A 75 2.671 -8.541 1.860 1.00 0.00 C ATOM 1107 O SER A 75 3.532 -9.366 1.555 1.00 0.00 O ATOM 1108 CB SER A 75 1.424 -10.209 3.246 1.00 0.00 C ATOM 1109 OG SER A 75 0.152 -10.674 3.664 1.00 0.00 O ATOM 0 H SER A 75 -0.067 -10.184 1.275 1.00 0.00 H new ATOM 0 HA SER A 75 0.836 -8.172 2.895 1.00 0.00 H new ATOM 0 HB2 SER A 75 1.951 -11.005 2.719 1.00 0.00 H new ATOM 0 HB3 SER A 75 2.025 -9.952 4.118 1.00 0.00 H new ATOM 0 HG SER A 75 -0.169 -11.356 3.038 1.00 0.00 H new ATOM 1115 N ASP A 76 2.873 -7.230 1.801 1.00 0.00 N ATOM 1116 CA ASP A 76 4.147 -6.671 1.365 1.00 0.00 C ATOM 1117 C ASP A 76 4.285 -5.219 1.812 1.00 0.00 C ATOM 1118 O ASP A 76 3.394 -4.670 2.462 1.00 0.00 O ATOM 1119 CB ASP A 76 4.276 -6.764 -0.156 1.00 0.00 C ATOM 1120 CG ASP A 76 4.918 -8.062 -0.604 1.00 0.00 C ATOM 1121 OD1 ASP A 76 5.802 -8.568 0.119 1.00 0.00 O ATOM 1122 OD2 ASP A 76 4.536 -8.572 -1.678 1.00 0.00 O ATOM 0 H ASP A 76 2.170 -6.534 2.050 1.00 0.00 H new ATOM 0 HA ASP A 76 4.946 -7.252 1.825 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.288 -6.676 -0.608 1.00 0.00 H new ATOM 0 HB3 ASP A 76 4.869 -5.924 -0.520 1.00 0.00 H new ATOM 1127 N THR A 77 5.409 -4.601 1.461 1.00 0.00 N ATOM 1128 CA THR A 77 5.664 -3.213 1.827 1.00 0.00 C ATOM 1129 C THR A 77 5.293 -2.267 0.691 1.00 0.00 C ATOM 1130 O THR A 77 5.954 -2.238 -0.347 1.00 0.00 O ATOM 1131 CB THR A 77 7.143 -2.994 2.200 1.00 0.00 C ATOM 1132 OG1 THR A 77 7.591 -4.045 3.063 1.00 0.00 O ATOM 1133 CG2 THR A 77 7.335 -1.650 2.886 1.00 0.00 C ATOM 0 H THR A 77 6.157 -5.040 0.924 1.00 0.00 H new ATOM 0 HA THR A 77 5.041 -2.995 2.695 1.00 0.00 H new ATOM 0 HB THR A 77 7.732 -3.002 1.283 1.00 0.00 H new ATOM 0 HG1 THR A 77 8.532 -3.900 3.294 1.00 0.00 H new ATOM 0 HG21 THR A 77 8.387 -1.518 3.140 1.00 0.00 H new ATOM 0 HG22 THR A 77 7.021 -0.851 2.215 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.735 -1.617 3.796 1.00 0.00 H new ATOM 1141 N TYR A 78 4.232 -1.494 0.895 1.00 0.00 N ATOM 1142 CA TYR A 78 3.772 -0.547 -0.114 1.00 0.00 C ATOM 1143 C TYR A 78 4.475 0.798 0.041 1.00 0.00 C ATOM 1144 O TYR A 78 4.686 1.278 1.155 1.00 0.00 O ATOM 1145 CB TYR A 78 2.257 -0.358 -0.013 1.00 0.00 C ATOM 1146 CG TYR A 78 1.470 -1.617 -0.301 1.00 0.00 C ATOM 1147 CD1 TYR A 78 1.590 -2.736 0.514 1.00 0.00 C ATOM 1148 CD2 TYR A 78 0.606 -1.686 -1.387 1.00 0.00 C ATOM 1149 CE1 TYR A 78 0.873 -3.888 0.254 1.00 0.00 C ATOM 1150 CE2 TYR A 78 -0.116 -2.834 -1.653 1.00 0.00 C ATOM 1151 CZ TYR A 78 0.021 -3.932 -0.830 1.00 0.00 C ATOM 1152 OH TYR A 78 -0.695 -5.077 -1.093 1.00 0.00 O ATOM 0 H TYR A 78 3.675 -1.504 1.749 1.00 0.00 H new ATOM 0 HA TYR A 78 4.016 -0.953 -1.096 1.00 0.00 H new ATOM 0 HB2 TYR A 78 2.009 -0.005 0.988 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.949 0.421 -0.711 1.00 0.00 H new ATOM 0 HD1 TYR A 78 2.255 -2.705 1.365 1.00 0.00 H new ATOM 0 HD2 TYR A 78 0.497 -0.828 -2.034 1.00 0.00 H new ATOM 0 HE1 TYR A 78 0.979 -4.750 0.896 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -0.784 -2.871 -2.501 1.00 0.00 H new ATOM 0 HH TYR A 78 -1.281 -5.278 -0.334 1.00 0.00 H new ATOM 1162 N THR A 79 4.835 1.403 -1.087 1.00 0.00 N ATOM 1163 CA THR A 79 5.515 2.692 -1.079 1.00 0.00 C ATOM 1164 C THR A 79 4.653 3.772 -1.723 1.00 0.00 C ATOM 1165 O THR A 79 4.351 3.710 -2.915 1.00 0.00 O ATOM 1166 CB THR A 79 6.864 2.621 -1.818 1.00 0.00 C ATOM 1167 OG1 THR A 79 7.788 1.817 -1.076 1.00 0.00 O ATOM 1168 CG2 THR A 79 7.445 4.012 -2.021 1.00 0.00 C ATOM 0 H THR A 79 4.667 1.021 -2.018 1.00 0.00 H new ATOM 0 HA THR A 79 5.694 2.948 -0.035 1.00 0.00 H new ATOM 0 HB THR A 79 6.693 2.170 -2.795 1.00 0.00 H new ATOM 0 HG1 THR A 79 8.643 1.776 -1.554 1.00 0.00 H new ATOM 0 HG21 THR A 79 8.398 3.935 -2.545 1.00 0.00 H new ATOM 0 HG22 THR A 79 6.753 4.613 -2.612 1.00 0.00 H new ATOM 0 HG23 THR A 79 7.601 4.486 -1.052 1.00 0.00 H new ATOM 1176 N CYS A 80 4.260 4.761 -0.928 1.00 0.00 N ATOM 1177 CA CYS A 80 3.431 5.856 -1.421 1.00 0.00 C ATOM 1178 C CYS A 80 4.295 7.008 -1.923 1.00 0.00 C ATOM 1179 O CYS A 80 4.577 7.953 -1.186 1.00 0.00 O ATOM 1180 CB CYS A 80 2.493 6.349 -0.319 1.00 0.00 C ATOM 1181 SG CYS A 80 1.459 7.751 -0.803 1.00 0.00 S ATOM 0 H CYS A 80 4.502 4.827 0.061 1.00 0.00 H new ATOM 0 HA CYS A 80 2.836 5.482 -2.254 1.00 0.00 H new ATOM 0 HB2 CYS A 80 1.849 5.526 -0.010 1.00 0.00 H new ATOM 0 HB3 CYS A 80 3.087 6.632 0.550 1.00 0.00 H new ATOM 0 HG CYS A 80 0.557 7.961 0.110 1.00 0.00 H new ATOM 1187 N ASP A 81 4.714 6.922 -3.181 1.00 0.00 N ATOM 1188 CA ASP A 81 5.547 7.957 -3.782 1.00 0.00 C ATOM 1189 C ASP A 81 4.688 9.075 -4.365 1.00 0.00 C ATOM 1190 O ASP A 81 3.761 8.822 -5.134 1.00 0.00 O ATOM 1191 CB ASP A 81 6.434 7.357 -4.874 1.00 0.00 C ATOM 1192 CG ASP A 81 6.774 5.903 -4.610 1.00 0.00 C ATOM 1193 OD1 ASP A 81 5.855 5.059 -4.666 1.00 0.00 O ATOM 1194 OD2 ASP A 81 7.959 5.609 -4.348 1.00 0.00 O ATOM 0 H ASP A 81 4.490 6.146 -3.804 1.00 0.00 H new ATOM 0 HA ASP A 81 6.180 8.379 -3.001 1.00 0.00 H new ATOM 0 HB2 ASP A 81 5.928 7.440 -5.836 1.00 0.00 H new ATOM 0 HB3 ASP A 81 7.355 7.935 -4.948 1.00 0.00 H new ATOM 1199 N ILE A 82 5.003 10.311 -3.992 1.00 0.00 N ATOM 1200 CA ILE A 82 4.260 11.467 -4.478 1.00 0.00 C ATOM 1201 C ILE A 82 5.103 12.299 -5.438 1.00 0.00 C ATOM 1202 O ILE A 82 4.580 13.123 -6.187 1.00 0.00 O ATOM 1203 CB ILE A 82 3.790 12.363 -3.317 1.00 0.00 C ATOM 1204 CG1 ILE A 82 4.986 12.810 -2.473 1.00 0.00 C ATOM 1205 CG2 ILE A 82 2.775 11.626 -2.456 1.00 0.00 C ATOM 1206 CD1 ILE A 82 4.706 14.033 -1.627 1.00 0.00 C ATOM 0 H ILE A 82 5.767 10.537 -3.355 1.00 0.00 H new ATOM 0 HA ILE A 82 3.387 11.082 -5.005 1.00 0.00 H new ATOM 0 HB ILE A 82 3.310 13.249 -3.733 1.00 0.00 H new ATOM 0 HG12 ILE A 82 5.288 11.989 -1.822 1.00 0.00 H new ATOM 0 HG13 ILE A 82 5.828 13.020 -3.133 1.00 0.00 H new ATOM 0 HG21 ILE A 82 2.453 12.273 -1.640 1.00 0.00 H new ATOM 0 HG22 ILE A 82 1.913 11.352 -3.064 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.231 10.725 -2.046 1.00 0.00 H new ATOM 0 HD11 ILE A 82 5.598 14.292 -1.056 1.00 0.00 H new ATOM 0 HD12 ILE A 82 4.433 14.868 -2.273 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.885 13.821 -0.942 1.00 0.00 H new ATOM 1218 N GLY A 83 6.414 12.075 -5.412 1.00 0.00 N ATOM 1219 CA GLY A 83 7.309 12.810 -6.286 1.00 0.00 C ATOM 1220 C GLY A 83 8.628 13.143 -5.617 1.00 0.00 C ATOM 1221 O GLY A 83 9.693 12.778 -6.115 1.00 0.00 O ATOM 0 H GLY A 83 6.871 11.398 -4.801 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.499 12.222 -7.184 1.00 0.00 H new ATOM 0 HA3 GLY A 83 6.824 13.732 -6.605 1.00 0.00 H new ATOM 1225 N GLN A 84 8.558 13.839 -4.487 1.00 0.00 N ATOM 1226 CA GLN A 84 9.756 14.223 -3.751 1.00 0.00 C ATOM 1227 C GLN A 84 10.048 13.232 -2.629 1.00 0.00 C ATOM 1228 O GLN A 84 11.199 12.868 -2.393 1.00 0.00 O ATOM 1229 CB GLN A 84 9.597 15.631 -3.174 1.00 0.00 C ATOM 1230 CG GLN A 84 10.864 16.173 -2.533 1.00 0.00 C ATOM 1231 CD GLN A 84 12.034 16.214 -3.497 1.00 0.00 C ATOM 1232 OE1 GLN A 84 13.066 15.584 -3.265 1.00 0.00 O ATOM 1233 NE2 GLN A 84 11.878 16.957 -4.586 1.00 0.00 N ATOM 0 H GLN A 84 7.684 14.148 -4.061 1.00 0.00 H new ATOM 0 HA GLN A 84 10.596 14.215 -4.446 1.00 0.00 H new ATOM 0 HB2 GLN A 84 9.284 16.307 -3.970 1.00 0.00 H new ATOM 0 HB3 GLN A 84 8.799 15.622 -2.431 1.00 0.00 H new ATOM 0 HG2 GLN A 84 10.674 17.178 -2.155 1.00 0.00 H new ATOM 0 HG3 GLN A 84 11.126 15.554 -1.675 1.00 0.00 H new ATOM 0 HE21 GLN A 84 11.005 17.462 -4.738 1.00 0.00 H new ATOM 0 HE22 GLN A 84 12.631 17.022 -5.271 1.00 0.00 H new ATOM 1242 N ALA A 85 8.996 12.798 -1.942 1.00 0.00 N ATOM 1243 CA ALA A 85 9.139 11.847 -0.847 1.00 0.00 C ATOM 1244 C ALA A 85 8.225 10.642 -1.043 1.00 0.00 C ATOM 1245 O ALA A 85 7.338 10.657 -1.895 1.00 0.00 O ATOM 1246 CB ALA A 85 8.843 12.525 0.483 1.00 0.00 C ATOM 0 H ALA A 85 8.036 13.090 -2.125 1.00 0.00 H new ATOM 0 HA ALA A 85 10.169 11.491 -0.840 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.954 11.803 1.292 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.540 13.349 0.634 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.823 12.909 0.476 1.00 0.00 H new ATOM 1252 N GLN A 86 8.450 9.599 -0.250 1.00 0.00 N ATOM 1253 CA GLN A 86 7.647 8.385 -0.339 1.00 0.00 C ATOM 1254 C GLN A 86 7.477 7.744 1.034 1.00 0.00 C ATOM 1255 O GLN A 86 8.385 7.779 1.864 1.00 0.00 O ATOM 1256 CB GLN A 86 8.294 7.390 -1.303 1.00 0.00 C ATOM 1257 CG GLN A 86 8.903 8.043 -2.533 1.00 0.00 C ATOM 1258 CD GLN A 86 10.112 8.896 -2.203 1.00 0.00 C ATOM 1259 OE1 GLN A 86 10.965 8.503 -1.406 1.00 0.00 O ATOM 1260 NE2 GLN A 86 10.194 10.071 -2.817 1.00 0.00 N ATOM 0 H GLN A 86 9.181 9.570 0.461 1.00 0.00 H new ATOM 0 HA GLN A 86 6.662 8.658 -0.717 1.00 0.00 H new ATOM 0 HB2 GLN A 86 9.070 6.836 -0.774 1.00 0.00 H new ATOM 0 HB3 GLN A 86 7.545 6.665 -1.620 1.00 0.00 H new ATOM 0 HG2 GLN A 86 9.192 7.270 -3.245 1.00 0.00 H new ATOM 0 HG3 GLN A 86 8.150 8.661 -3.022 1.00 0.00 H new ATOM 0 HE21 GLN A 86 9.465 10.357 -3.470 1.00 0.00 H new ATOM 0 HE22 GLN A 86 10.986 10.687 -2.635 1.00 0.00 H new ATOM 1269 N SER A 87 6.306 7.158 1.267 1.00 0.00 N ATOM 1270 CA SER A 87 6.015 6.512 2.541 1.00 0.00 C ATOM 1271 C SER A 87 6.183 4.999 2.435 1.00 0.00 C ATOM 1272 O SER A 87 6.482 4.471 1.363 1.00 0.00 O ATOM 1273 CB SER A 87 4.593 6.847 2.994 1.00 0.00 C ATOM 1274 OG SER A 87 4.466 6.736 4.401 1.00 0.00 O ATOM 0 H SER A 87 5.544 7.118 0.590 1.00 0.00 H new ATOM 0 HA SER A 87 6.723 6.888 3.280 1.00 0.00 H new ATOM 0 HB2 SER A 87 4.338 7.860 2.682 1.00 0.00 H new ATOM 0 HB3 SER A 87 3.885 6.175 2.508 1.00 0.00 H new ATOM 0 HG SER A 87 4.519 7.627 4.806 1.00 0.00 H new ATOM 1280 N ARG A 88 5.989 4.308 3.553 1.00 0.00 N ATOM 1281 CA ARG A 88 6.120 2.856 3.587 1.00 0.00 C ATOM 1282 C ARG A 88 5.242 2.256 4.681 1.00 0.00 C ATOM 1283 O ARG A 88 5.241 2.728 5.818 1.00 0.00 O ATOM 1284 CB ARG A 88 7.580 2.460 3.814 1.00 0.00 C ATOM 1285 CG ARG A 88 8.468 2.682 2.601 1.00 0.00 C ATOM 1286 CD ARG A 88 9.840 2.055 2.793 1.00 0.00 C ATOM 1287 NE ARG A 88 10.783 2.981 3.414 1.00 0.00 N ATOM 1288 CZ ARG A 88 11.367 3.981 2.764 1.00 0.00 C ATOM 1289 NH1 ARG A 88 11.107 4.184 1.480 1.00 0.00 N ATOM 1290 NH2 ARG A 88 12.214 4.782 3.398 1.00 0.00 N ATOM 0 H ARG A 88 5.740 4.730 4.448 1.00 0.00 H new ATOM 0 HA ARG A 88 5.790 2.464 2.625 1.00 0.00 H new ATOM 0 HB2 ARG A 88 7.976 3.032 4.653 1.00 0.00 H new ATOM 0 HB3 ARG A 88 7.622 1.408 4.097 1.00 0.00 H new ATOM 0 HG2 ARG A 88 7.992 2.256 1.718 1.00 0.00 H new ATOM 0 HG3 ARG A 88 8.577 3.751 2.420 1.00 0.00 H new ATOM 0 HD2 ARG A 88 9.747 1.163 3.412 1.00 0.00 H new ATOM 0 HD3 ARG A 88 10.230 1.734 1.827 1.00 0.00 H new ATOM 0 HE ARG A 88 11.005 2.853 4.401 1.00 0.00 H new ATOM 0 HH11 ARG A 88 10.457 3.571 0.988 1.00 0.00 H new ATOM 0 HH12 ARG A 88 11.557 4.953 0.984 1.00 0.00 H new ATOM 0 HH21 ARG A 88 12.417 4.630 4.386 1.00 0.00 H new ATOM 0 HH22 ARG A 88 12.662 5.550 2.897 1.00 0.00 H new ATOM 1304 N ALA A 89 4.497 1.214 4.329 1.00 0.00 N ATOM 1305 CA ALA A 89 3.616 0.549 5.282 1.00 0.00 C ATOM 1306 C ALA A 89 3.585 -0.957 5.042 1.00 0.00 C ATOM 1307 O ALA A 89 3.644 -1.413 3.901 1.00 0.00 O ATOM 1308 CB ALA A 89 2.211 1.128 5.195 1.00 0.00 C ATOM 0 H ALA A 89 4.485 0.812 3.392 1.00 0.00 H new ATOM 0 HA ALA A 89 4.008 0.723 6.284 1.00 0.00 H new ATOM 0 HB1 ALA A 89 1.564 0.622 5.912 1.00 0.00 H new ATOM 0 HB2 ALA A 89 2.242 2.194 5.423 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.820 0.983 4.188 1.00 0.00 H new ATOM 1314 N GLN A 90 3.493 -1.722 6.125 1.00 0.00 N ATOM 1315 CA GLN A 90 3.456 -3.176 6.031 1.00 0.00 C ATOM 1316 C GLN A 90 2.034 -3.698 6.211 1.00 0.00 C ATOM 1317 O GLN A 90 1.291 -3.222 7.070 1.00 0.00 O ATOM 1318 CB GLN A 90 4.377 -3.800 7.081 1.00 0.00 C ATOM 1319 CG GLN A 90 5.830 -3.888 6.641 1.00 0.00 C ATOM 1320 CD GLN A 90 6.150 -5.195 5.943 1.00 0.00 C ATOM 1321 OE1 GLN A 90 6.832 -6.057 6.498 1.00 0.00 O ATOM 1322 NE2 GLN A 90 5.660 -5.348 4.719 1.00 0.00 N ATOM 0 H GLN A 90 3.443 -1.359 7.077 1.00 0.00 H new ATOM 0 HA GLN A 90 3.804 -3.459 5.038 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.319 -3.214 7.998 1.00 0.00 H new ATOM 0 HB3 GLN A 90 4.017 -4.801 7.319 1.00 0.00 H new ATOM 0 HG2 GLN A 90 6.054 -3.058 5.971 1.00 0.00 H new ATOM 0 HG3 GLN A 90 6.477 -3.778 7.511 1.00 0.00 H new ATOM 0 HE21 GLN A 90 5.100 -4.607 4.298 1.00 0.00 H new ATOM 0 HE22 GLN A 90 5.844 -6.206 4.200 1.00 0.00 H new ATOM 1331 N LEU A 91 1.661 -4.677 5.395 1.00 0.00 N ATOM 1332 CA LEU A 91 0.327 -5.264 5.463 1.00 0.00 C ATOM 1333 C LEU A 91 0.392 -6.708 5.948 1.00 0.00 C ATOM 1334 O LEU A 91 1.324 -7.444 5.621 1.00 0.00 O ATOM 1335 CB LEU A 91 -0.349 -5.204 4.092 1.00 0.00 C ATOM 1336 CG LEU A 91 -1.627 -6.028 3.938 1.00 0.00 C ATOM 1337 CD1 LEU A 91 -2.785 -5.359 4.663 1.00 0.00 C ATOM 1338 CD2 LEU A 91 -1.960 -6.225 2.466 1.00 0.00 C ATOM 0 H LEU A 91 2.263 -5.082 4.678 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.261 -4.687 6.176 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.583 -4.163 3.870 1.00 0.00 H new ATOM 0 HB3 LEU A 91 0.367 -5.537 3.341 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.461 -7.007 4.387 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -3.686 -5.960 4.542 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -2.548 -5.270 5.723 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.952 -4.367 4.244 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.873 -6.814 2.375 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.106 -5.254 1.993 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.140 -6.749 1.974 1.00 0.00 H new ATOM 1350 N LEU A 92 -0.606 -7.110 6.728 1.00 0.00 N ATOM 1351 CA LEU A 92 -0.664 -8.469 7.257 1.00 0.00 C ATOM 1352 C LEU A 92 -1.978 -9.145 6.876 1.00 0.00 C ATOM 1353 O LEU A 92 -3.037 -8.810 7.407 1.00 0.00 O ATOM 1354 CB LEU A 92 -0.508 -8.452 8.778 1.00 0.00 C ATOM 1355 CG LEU A 92 -0.998 -9.698 9.517 1.00 0.00 C ATOM 1356 CD1 LEU A 92 -0.453 -10.957 8.861 1.00 0.00 C ATOM 1357 CD2 LEU A 92 -0.596 -9.641 10.984 1.00 0.00 C ATOM 0 H LEU A 92 -1.386 -6.515 7.008 1.00 0.00 H new ATOM 0 HA LEU A 92 0.157 -9.039 6.821 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.546 -8.305 9.013 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.045 -7.588 9.169 1.00 0.00 H new ATOM 0 HG LEU A 92 -2.086 -9.726 9.460 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.812 -11.833 9.401 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.792 -11.004 7.826 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.637 -10.938 8.885 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.953 -10.536 11.494 1.00 0.00 H new ATOM 0 HD22 LEU A 92 0.490 -9.588 11.062 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.037 -8.759 11.448 1.00 0.00 H new ATOM 1369 N VAL A 93 -1.900 -10.100 5.956 1.00 0.00 N ATOM 1370 CA VAL A 93 -3.082 -10.827 5.506 1.00 0.00 C ATOM 1371 C VAL A 93 -3.342 -12.048 6.381 1.00 0.00 C ATOM 1372 O VAL A 93 -2.854 -13.141 6.098 1.00 0.00 O ATOM 1373 CB VAL A 93 -2.939 -11.280 4.041 1.00 0.00 C ATOM 1374 CG1 VAL A 93 -4.115 -12.155 3.635 1.00 0.00 C ATOM 1375 CG2 VAL A 93 -2.817 -10.075 3.121 1.00 0.00 C ATOM 0 H VAL A 93 -1.031 -10.389 5.507 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.925 -10.140 5.585 1.00 0.00 H new ATOM 0 HB VAL A 93 -2.029 -11.872 3.949 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.996 -12.465 2.597 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -4.151 -13.036 4.275 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -5.042 -11.591 3.741 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.717 -10.413 2.090 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -3.708 -9.454 3.214 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.939 -9.493 3.399 1.00 0.00 H new ATOM 1385 N GLN A 94 -4.114 -11.853 7.445 1.00 0.00 N ATOM 1386 CA GLN A 94 -4.439 -12.939 8.362 1.00 0.00 C ATOM 1387 C GLN A 94 -4.690 -14.237 7.601 1.00 0.00 C ATOM 1388 O GLN A 94 -3.850 -15.136 7.594 1.00 0.00 O ATOM 1389 CB GLN A 94 -5.669 -12.578 9.198 1.00 0.00 C ATOM 1390 CG GLN A 94 -5.400 -11.508 10.244 1.00 0.00 C ATOM 1391 CD GLN A 94 -4.961 -12.089 11.573 1.00 0.00 C ATOM 1392 OE1 GLN A 94 -5.647 -12.930 12.154 1.00 0.00 O ATOM 1393 NE2 GLN A 94 -3.810 -11.641 12.063 1.00 0.00 N ATOM 0 H GLN A 94 -4.526 -10.954 7.693 1.00 0.00 H new ATOM 0 HA GLN A 94 -3.588 -13.087 9.026 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -6.462 -12.234 8.534 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -6.037 -13.476 9.695 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -4.630 -10.831 9.876 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -6.302 -10.914 10.391 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -3.273 -10.943 11.548 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -3.463 -11.995 12.954 1.00 0.00 H new