USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 403 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 8 TYR OH : rot 93:sc= -1.46! USER MOD Set 1.2: A 11 TYR OH : rot -11:sc= 0.579 USER MOD Single : A 3 LYS NZ :NH3+ -163:sc= -0.23 (180deg=-0.85) USER MOD Single : A 5 LYS NZ :NH3+ -175:sc= -2.61 (180deg=-2.72) USER MOD Single : A 6 LYS NZ :NH3+ -159:sc= 0.533 (180deg=-0.474) USER MOD Single : A 10 ASN : amide:sc= -0.308 K(o=-0.31,f=-1.8!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -142:sc= -4.59! (180deg=-5.01!) USER MOD Single : A 17 GLN : amide:sc= -0.105 K(o=-0.11,f=-1.5!) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 21 GLN : amide:sc= -3.96! C(o=-4!,f=-7.2!) USER MOD Single : A 23 ASN : amide:sc= -3.77! C(o=-3.8!,f=-10!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 147:sc= -0.142 (180deg=-0.992) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= -1.82 K(o=-1.8,f=-0.71) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.15 K(o=-0.15,f=-2.4!) USER MOD Single : A 46 GLN : amide:sc= -1.44 K(o=-1.4,f=-4.9!) USER MOD Single : A 51 TYR OH : rot 50:sc= -3.44 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 2 89.179 -9.756 -51.171 1.00 0.00 N ATOM 2 CA ASP A 2 90.007 -10.359 -52.210 1.00 0.00 C ATOM 3 C ASP A 2 89.621 -11.818 -52.423 1.00 0.00 C ATOM 4 O ASP A 2 88.749 -12.348 -51.734 1.00 0.00 O ATOM 5 CB ASP A 2 91.483 -10.271 -51.816 1.00 0.00 C ATOM 6 CG ASP A 2 91.928 -8.813 -51.785 1.00 0.00 C ATOM 7 OD1 ASP A 2 91.200 -7.980 -52.300 1.00 0.00 O ATOM 8 OD2 ASP A 2 92.991 -8.550 -51.247 1.00 0.00 O ATOM 0 HA ASP A 2 89.846 -9.814 -53.140 1.00 0.00 H new ATOM 0 HB2 ASP A 2 91.635 -10.727 -50.838 1.00 0.00 H new ATOM 0 HB3 ASP A 2 92.092 -10.831 -52.526 1.00 0.00 H new ATOM 13 N LYS A 3 90.276 -12.464 -53.382 1.00 0.00 N ATOM 14 CA LYS A 3 89.993 -13.864 -53.679 1.00 0.00 C ATOM 15 C LYS A 3 90.210 -14.730 -52.442 1.00 0.00 C ATOM 16 O LYS A 3 89.499 -15.712 -52.227 1.00 0.00 O ATOM 17 CB LYS A 3 90.900 -14.350 -54.811 1.00 0.00 C ATOM 18 CG LYS A 3 90.562 -13.596 -56.099 1.00 0.00 C ATOM 19 CD LYS A 3 91.382 -14.168 -57.255 1.00 0.00 C ATOM 20 CE LYS A 3 91.140 -13.334 -58.515 1.00 0.00 C ATOM 21 NZ LYS A 3 89.690 -13.009 -58.623 1.00 0.00 N ATOM 0 H LYS A 3 91.002 -12.044 -53.963 1.00 0.00 H new ATOM 0 HA LYS A 3 88.951 -13.947 -53.987 1.00 0.00 H new ATOM 0 HB2 LYS A 3 91.945 -14.190 -54.547 1.00 0.00 H new ATOM 0 HB3 LYS A 3 90.770 -15.422 -54.960 1.00 0.00 H new ATOM 0 HG2 LYS A 3 89.497 -13.684 -56.316 1.00 0.00 H new ATOM 0 HG3 LYS A 3 90.776 -12.534 -55.978 1.00 0.00 H new ATOM 0 HD2 LYS A 3 92.442 -14.162 -57.001 1.00 0.00 H new ATOM 0 HD3 LYS A 3 91.103 -15.206 -57.434 1.00 0.00 H new ATOM 0 HE2 LYS A 3 91.728 -12.417 -58.476 1.00 0.00 H new ATOM 0 HE3 LYS A 3 91.467 -13.884 -59.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 89.474 -12.704 -59.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 89.127 -13.852 -58.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 89.455 -12.244 -57.959 1.00 0.00 H new ATOM 35 N CYS A 4 91.197 -14.360 -51.632 1.00 0.00 N ATOM 36 CA CYS A 4 91.497 -15.111 -50.418 1.00 0.00 C ATOM 37 C CYS A 4 90.332 -15.044 -49.442 1.00 0.00 C ATOM 38 O CYS A 4 90.112 -15.956 -48.646 1.00 0.00 O ATOM 39 CB CYS A 4 92.727 -14.517 -49.728 1.00 0.00 C ATOM 40 SG CYS A 4 94.118 -14.498 -50.886 1.00 0.00 S ATOM 0 H CYS A 4 91.798 -13.552 -51.792 1.00 0.00 H new ATOM 0 HA CYS A 4 91.680 -16.147 -50.703 1.00 0.00 H new ATOM 0 HB2 CYS A 4 92.512 -13.505 -49.385 1.00 0.00 H new ATOM 0 HB3 CYS A 4 92.982 -15.105 -48.846 1.00 0.00 H new ATOM 45 N LYS A 5 89.595 -13.939 -49.499 1.00 0.00 N ATOM 46 CA LYS A 5 88.462 -13.742 -48.602 1.00 0.00 C ATOM 47 C LYS A 5 87.248 -14.524 -49.092 1.00 0.00 C ATOM 48 O LYS A 5 86.723 -14.262 -50.174 1.00 0.00 O ATOM 49 CB LYS A 5 88.116 -12.253 -48.520 1.00 0.00 C ATOM 50 CG LYS A 5 89.403 -11.427 -48.556 1.00 0.00 C ATOM 51 CD LYS A 5 90.322 -11.864 -47.415 1.00 0.00 C ATOM 52 CE LYS A 5 91.516 -10.910 -47.327 1.00 0.00 C ATOM 53 NZ LYS A 5 91.030 -9.532 -47.032 1.00 0.00 N ATOM 0 H LYS A 5 89.760 -13.172 -50.151 1.00 0.00 H new ATOM 0 HA LYS A 5 88.737 -14.106 -47.612 1.00 0.00 H new ATOM 0 HB2 LYS A 5 87.468 -11.973 -49.351 1.00 0.00 H new ATOM 0 HB3 LYS A 5 87.565 -12.047 -47.603 1.00 0.00 H new ATOM 0 HG2 LYS A 5 89.906 -11.560 -49.514 1.00 0.00 H new ATOM 0 HG3 LYS A 5 89.170 -10.366 -48.463 1.00 0.00 H new ATOM 0 HD2 LYS A 5 89.774 -11.866 -46.473 1.00 0.00 H new ATOM 0 HD3 LYS A 5 90.669 -12.883 -47.584 1.00 0.00 H new ATOM 0 HE2 LYS A 5 92.202 -11.240 -46.547 1.00 0.00 H new ATOM 0 HE3 LYS A 5 92.072 -10.918 -48.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 91.831 -8.869 -47.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 90.327 -9.252 -47.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 90.593 -9.513 -46.089 1.00 0.00 H new ATOM 67 N LYS A 6 86.806 -15.486 -48.287 1.00 0.00 N ATOM 68 CA LYS A 6 85.647 -16.296 -48.645 1.00 0.00 C ATOM 69 C LYS A 6 84.577 -16.208 -47.561 1.00 0.00 C ATOM 70 O LYS A 6 84.887 -16.200 -46.369 1.00 0.00 O ATOM 71 CB LYS A 6 86.069 -17.754 -48.832 1.00 0.00 C ATOM 72 CG LYS A 6 87.075 -17.852 -49.981 1.00 0.00 C ATOM 73 CD LYS A 6 87.332 -19.324 -50.312 1.00 0.00 C ATOM 74 CE LYS A 6 88.464 -19.427 -51.337 1.00 0.00 C ATOM 75 NZ LYS A 6 88.315 -18.346 -52.352 1.00 0.00 N ATOM 0 H LYS A 6 87.229 -15.722 -47.389 1.00 0.00 H new ATOM 0 HA LYS A 6 85.233 -15.915 -49.579 1.00 0.00 H new ATOM 0 HB2 LYS A 6 86.513 -18.136 -47.913 1.00 0.00 H new ATOM 0 HB3 LYS A 6 85.196 -18.372 -49.045 1.00 0.00 H new ATOM 0 HG2 LYS A 6 86.691 -17.333 -50.859 1.00 0.00 H new ATOM 0 HG3 LYS A 6 88.009 -17.363 -49.704 1.00 0.00 H new ATOM 0 HD2 LYS A 6 87.596 -19.871 -49.407 1.00 0.00 H new ATOM 0 HD3 LYS A 6 86.426 -19.782 -50.708 1.00 0.00 H new ATOM 0 HE2 LYS A 6 89.429 -19.342 -50.838 1.00 0.00 H new ATOM 0 HE3 LYS A 6 88.441 -20.402 -51.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 88.832 -18.607 -53.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 87.308 -18.218 -52.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 88.701 -17.458 -51.972 1.00 0.00 H new ATOM 89 N VAL A 7 83.318 -16.141 -47.983 1.00 0.00 N ATOM 90 CA VAL A 7 82.213 -16.036 -47.038 1.00 0.00 C ATOM 91 C VAL A 7 81.445 -17.351 -46.956 1.00 0.00 C ATOM 92 O VAL A 7 81.030 -17.904 -47.976 1.00 0.00 O ATOM 93 CB VAL A 7 81.263 -14.916 -47.468 1.00 0.00 C ATOM 94 CG1 VAL A 7 80.211 -14.689 -46.380 1.00 0.00 C ATOM 95 CG2 VAL A 7 82.060 -13.627 -47.682 1.00 0.00 C ATOM 0 H VAL A 7 83.040 -16.157 -48.964 1.00 0.00 H new ATOM 0 HA VAL A 7 82.625 -15.809 -46.055 1.00 0.00 H new ATOM 0 HB VAL A 7 80.768 -15.198 -48.397 1.00 0.00 H new ATOM 0 HG11 VAL A 7 79.535 -13.891 -46.688 1.00 0.00 H new ATOM 0 HG12 VAL A 7 79.643 -15.606 -46.226 1.00 0.00 H new ATOM 0 HG13 VAL A 7 80.705 -14.408 -45.450 1.00 0.00 H new ATOM 0 HG21 VAL A 7 81.385 -12.828 -47.988 1.00 0.00 H new ATOM 0 HG22 VAL A 7 82.555 -13.347 -46.752 1.00 0.00 H new ATOM 0 HG23 VAL A 7 82.809 -13.787 -48.458 1.00 0.00 H new ATOM 105 N TYR A 8 81.261 -17.847 -45.738 1.00 0.00 N ATOM 106 CA TYR A 8 80.478 -19.061 -45.528 1.00 0.00 C ATOM 107 C TYR A 8 79.626 -18.936 -44.269 1.00 0.00 C ATOM 108 O TYR A 8 80.146 -18.928 -43.153 1.00 0.00 O ATOM 109 CB TYR A 8 81.410 -20.268 -45.400 1.00 0.00 C ATOM 110 CG TYR A 8 81.815 -20.444 -43.956 1.00 0.00 C ATOM 111 CD1 TYR A 8 82.951 -19.792 -43.463 1.00 0.00 C ATOM 112 CD2 TYR A 8 81.054 -21.261 -43.111 1.00 0.00 C ATOM 113 CE1 TYR A 8 83.326 -19.957 -42.124 1.00 0.00 C ATOM 114 CE2 TYR A 8 81.430 -21.427 -41.772 1.00 0.00 C ATOM 115 CZ TYR A 8 82.567 -20.774 -41.278 1.00 0.00 C ATOM 116 OH TYR A 8 82.937 -20.935 -39.959 1.00 0.00 O ATOM 0 H TYR A 8 81.639 -17.432 -44.887 1.00 0.00 H new ATOM 0 HA TYR A 8 79.820 -19.201 -46.386 1.00 0.00 H new ATOM 0 HB2 TYR A 8 80.909 -21.167 -45.760 1.00 0.00 H new ATOM 0 HB3 TYR A 8 82.294 -20.125 -46.021 1.00 0.00 H new ATOM 0 HD1 TYR A 8 83.538 -19.162 -44.115 1.00 0.00 H new ATOM 0 HD2 TYR A 8 80.177 -21.763 -43.492 1.00 0.00 H new ATOM 0 HE1 TYR A 8 84.202 -19.453 -41.743 1.00 0.00 H new ATOM 0 HE2 TYR A 8 80.844 -22.058 -41.121 1.00 0.00 H new ATOM 0 HH TYR A 8 82.470 -20.275 -39.405 1.00 0.00 H new ATOM 126 N GLU A 9 78.315 -18.836 -44.457 1.00 0.00 N ATOM 127 CA GLU A 9 77.405 -18.619 -43.338 1.00 0.00 C ATOM 128 C GLU A 9 77.263 -19.889 -42.504 1.00 0.00 C ATOM 129 O GLU A 9 77.912 -20.039 -41.469 1.00 0.00 O ATOM 130 CB GLU A 9 76.031 -18.192 -43.857 1.00 0.00 C ATOM 131 CG GLU A 9 76.193 -17.017 -44.824 1.00 0.00 C ATOM 132 CD GLU A 9 74.823 -16.490 -45.240 1.00 0.00 C ATOM 133 OE1 GLU A 9 73.839 -17.129 -44.907 1.00 0.00 O ATOM 134 OE2 GLU A 9 74.780 -15.456 -45.885 1.00 0.00 O ATOM 0 H GLU A 9 77.860 -18.901 -45.368 1.00 0.00 H new ATOM 0 HA GLU A 9 77.818 -17.830 -42.709 1.00 0.00 H new ATOM 0 HB2 GLU A 9 75.545 -19.027 -44.361 1.00 0.00 H new ATOM 0 HB3 GLU A 9 75.389 -17.905 -43.024 1.00 0.00 H new ATOM 0 HG2 GLU A 9 76.769 -16.222 -44.350 1.00 0.00 H new ATOM 0 HG3 GLU A 9 76.752 -17.334 -45.704 1.00 0.00 H new ATOM 141 N ASN A 10 76.408 -20.799 -42.960 1.00 0.00 N ATOM 142 CA ASN A 10 76.112 -22.005 -42.195 1.00 0.00 C ATOM 143 C ASN A 10 75.500 -21.639 -40.847 1.00 0.00 C ATOM 144 O ASN A 10 74.395 -22.072 -40.518 1.00 0.00 O ATOM 145 CB ASN A 10 77.392 -22.812 -41.974 1.00 0.00 C ATOM 146 CG ASN A 10 77.919 -23.330 -43.308 1.00 0.00 C ATOM 147 OD1 ASN A 10 77.228 -23.244 -44.324 1.00 0.00 O ATOM 148 ND2 ASN A 10 79.107 -23.866 -43.367 1.00 0.00 N ATOM 0 H ASN A 10 75.912 -20.726 -43.848 1.00 0.00 H new ATOM 0 HA ASN A 10 75.399 -22.607 -42.758 1.00 0.00 H new ATOM 0 HB2 ASN A 10 78.146 -22.189 -41.493 1.00 0.00 H new ATOM 0 HB3 ASN A 10 77.194 -23.648 -41.303 1.00 0.00 H new ATOM 0 HD21 ASN A 10 79.465 -24.215 -44.256 1.00 0.00 H new ATOM 0 HD22 ASN A 10 79.677 -23.936 -42.524 1.00 0.00 H new ATOM 155 N TYR A 11 76.226 -20.839 -40.074 1.00 0.00 N ATOM 156 CA TYR A 11 75.699 -20.317 -38.819 1.00 0.00 C ATOM 157 C TYR A 11 75.690 -18.792 -38.841 1.00 0.00 C ATOM 158 O TYR A 11 76.734 -18.151 -38.727 1.00 0.00 O ATOM 159 CB TYR A 11 76.551 -20.810 -37.648 1.00 0.00 C ATOM 160 CG TYR A 11 77.967 -20.315 -37.811 1.00 0.00 C ATOM 161 CD1 TYR A 11 78.334 -19.062 -37.303 1.00 0.00 C ATOM 162 CD2 TYR A 11 78.915 -21.109 -38.467 1.00 0.00 C ATOM 163 CE1 TYR A 11 79.648 -18.604 -37.453 1.00 0.00 C ATOM 164 CE2 TYR A 11 80.229 -20.650 -38.617 1.00 0.00 C ATOM 165 CZ TYR A 11 80.596 -19.398 -38.110 1.00 0.00 C ATOM 166 OH TYR A 11 81.891 -18.946 -38.257 1.00 0.00 O ATOM 0 H TYR A 11 77.176 -20.539 -40.293 1.00 0.00 H new ATOM 0 HA TYR A 11 74.677 -20.675 -38.696 1.00 0.00 H new ATOM 0 HB2 TYR A 11 76.136 -20.452 -36.706 1.00 0.00 H new ATOM 0 HB3 TYR A 11 76.538 -21.899 -37.608 1.00 0.00 H new ATOM 0 HD1 TYR A 11 77.603 -18.450 -36.796 1.00 0.00 H new ATOM 0 HD2 TYR A 11 78.633 -22.076 -38.857 1.00 0.00 H new ATOM 0 HE1 TYR A 11 79.931 -17.638 -37.062 1.00 0.00 H new ATOM 0 HE2 TYR A 11 80.960 -21.262 -39.124 1.00 0.00 H new ATOM 0 HH TYR A 11 81.935 -17.997 -38.017 1.00 0.00 H new ATOM 176 N PRO A 12 74.531 -18.209 -38.990 1.00 0.00 N ATOM 177 CA PRO A 12 74.372 -16.733 -39.081 1.00 0.00 C ATOM 178 C PRO A 12 75.143 -15.996 -37.989 1.00 0.00 C ATOM 179 O PRO A 12 75.860 -16.610 -37.199 1.00 0.00 O ATOM 180 CB PRO A 12 72.828 -16.501 -38.955 1.00 0.00 C ATOM 181 CG PRO A 12 72.238 -17.790 -39.432 1.00 0.00 C ATOM 182 CD PRO A 12 73.238 -18.901 -39.088 1.00 0.00 C ATOM 0 HA PRO A 12 74.778 -16.340 -40.013 1.00 0.00 H new ATOM 0 HB2 PRO A 12 72.538 -16.284 -37.927 1.00 0.00 H new ATOM 0 HB3 PRO A 12 72.498 -15.659 -39.564 1.00 0.00 H new ATOM 0 HG2 PRO A 12 71.277 -17.975 -38.951 1.00 0.00 H new ATOM 0 HG3 PRO A 12 72.056 -17.756 -40.506 1.00 0.00 H new ATOM 0 HD2 PRO A 12 72.978 -19.393 -38.151 1.00 0.00 H new ATOM 0 HD3 PRO A 12 73.257 -19.672 -39.859 1.00 0.00 H new ATOM 190 N VAL A 13 74.988 -14.677 -37.953 1.00 0.00 N ATOM 191 CA VAL A 13 75.712 -13.856 -36.989 1.00 0.00 C ATOM 192 C VAL A 13 75.573 -14.433 -35.584 1.00 0.00 C ATOM 193 O VAL A 13 76.249 -13.996 -34.653 1.00 0.00 O ATOM 194 CB VAL A 13 75.169 -12.427 -37.012 1.00 0.00 C ATOM 195 CG1 VAL A 13 74.730 -12.070 -38.433 1.00 0.00 C ATOM 196 CG2 VAL A 13 73.969 -12.321 -36.069 1.00 0.00 C ATOM 0 H VAL A 13 74.371 -14.156 -38.576 1.00 0.00 H new ATOM 0 HA VAL A 13 76.767 -13.849 -37.263 1.00 0.00 H new ATOM 0 HB VAL A 13 75.949 -11.738 -36.688 1.00 0.00 H new ATOM 0 HG11 VAL A 13 74.343 -11.051 -38.449 1.00 0.00 H new ATOM 0 HG12 VAL A 13 75.583 -12.145 -39.107 1.00 0.00 H new ATOM 0 HG13 VAL A 13 73.950 -12.759 -38.757 1.00 0.00 H new ATOM 0 HG21 VAL A 13 73.582 -11.302 -36.086 1.00 0.00 H new ATOM 0 HG22 VAL A 13 73.189 -13.010 -36.393 1.00 0.00 H new ATOM 0 HG23 VAL A 13 74.279 -12.575 -35.055 1.00 0.00 H new ATOM 206 N SER A 14 74.693 -15.419 -35.439 1.00 0.00 N ATOM 207 CA SER A 14 74.441 -16.020 -34.134 1.00 0.00 C ATOM 208 C SER A 14 75.747 -16.195 -33.366 1.00 0.00 C ATOM 209 O SER A 14 75.852 -15.800 -32.206 1.00 0.00 O ATOM 210 CB SER A 14 73.762 -17.379 -34.308 1.00 0.00 C ATOM 211 OG SER A 14 72.553 -17.209 -35.036 1.00 0.00 O ATOM 0 H SER A 14 74.146 -15.816 -36.203 1.00 0.00 H new ATOM 0 HA SER A 14 73.786 -15.357 -33.568 1.00 0.00 H new ATOM 0 HB2 SER A 14 74.425 -18.065 -34.836 1.00 0.00 H new ATOM 0 HB3 SER A 14 73.555 -17.822 -33.334 1.00 0.00 H new ATOM 0 HG SER A 14 72.116 -18.078 -35.151 1.00 0.00 H new ATOM 217 N LYS A 15 76.738 -16.789 -34.022 1.00 0.00 N ATOM 218 CA LYS A 15 78.033 -17.011 -33.390 1.00 0.00 C ATOM 219 C LYS A 15 78.900 -15.761 -33.494 1.00 0.00 C ATOM 220 O LYS A 15 79.678 -15.455 -32.592 1.00 0.00 O ATOM 221 CB LYS A 15 78.747 -18.188 -34.058 1.00 0.00 C ATOM 222 CG LYS A 15 77.905 -19.455 -33.899 1.00 0.00 C ATOM 223 CD LYS A 15 78.742 -20.676 -34.287 1.00 0.00 C ATOM 224 CE LYS A 15 77.926 -21.949 -34.058 1.00 0.00 C ATOM 225 NZ LYS A 15 76.747 -21.954 -34.970 1.00 0.00 N ATOM 0 H LYS A 15 76.671 -17.123 -34.983 1.00 0.00 H new ATOM 0 HA LYS A 15 77.868 -17.239 -32.337 1.00 0.00 H new ATOM 0 HB2 LYS A 15 78.908 -17.976 -35.115 1.00 0.00 H new ATOM 0 HB3 LYS A 15 79.729 -18.333 -33.609 1.00 0.00 H new ATOM 0 HG2 LYS A 15 77.561 -19.549 -32.869 1.00 0.00 H new ATOM 0 HG3 LYS A 15 77.016 -19.395 -34.528 1.00 0.00 H new ATOM 0 HD2 LYS A 15 79.042 -20.607 -35.333 1.00 0.00 H new ATOM 0 HD3 LYS A 15 79.656 -20.706 -33.695 1.00 0.00 H new ATOM 0 HE2 LYS A 15 78.544 -22.828 -34.241 1.00 0.00 H new ATOM 0 HE3 LYS A 15 77.597 -22.001 -33.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 75.925 -22.351 -34.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 76.534 -20.980 -35.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 76.958 -22.534 -35.807 1.00 0.00 H new ATOM 239 N CYS A 16 78.758 -15.042 -34.604 1.00 0.00 N ATOM 240 CA CYS A 16 79.567 -13.852 -34.839 1.00 0.00 C ATOM 241 C CYS A 16 79.500 -12.913 -33.639 1.00 0.00 C ATOM 242 O CYS A 16 80.195 -11.897 -33.594 1.00 0.00 O ATOM 243 CB CYS A 16 79.070 -13.122 -36.089 1.00 0.00 C ATOM 244 SG CYS A 16 80.145 -11.706 -36.427 1.00 0.00 S ATOM 0 H CYS A 16 78.096 -15.261 -35.349 1.00 0.00 H new ATOM 0 HA CYS A 16 80.602 -14.162 -34.986 1.00 0.00 H new ATOM 0 HB2 CYS A 16 79.065 -13.801 -36.942 1.00 0.00 H new ATOM 0 HB3 CYS A 16 78.043 -12.786 -35.943 1.00 0.00 H new ATOM 249 N GLN A 17 78.661 -13.259 -32.667 1.00 0.00 N ATOM 250 CA GLN A 17 78.526 -12.446 -31.465 1.00 0.00 C ATOM 251 C GLN A 17 79.875 -12.285 -30.773 1.00 0.00 C ATOM 252 O GLN A 17 80.078 -11.354 -29.994 1.00 0.00 O ATOM 253 CB GLN A 17 77.530 -13.098 -30.502 1.00 0.00 C ATOM 254 CG GLN A 17 76.148 -13.153 -31.156 1.00 0.00 C ATOM 255 CD GLN A 17 75.537 -11.757 -31.200 1.00 0.00 C ATOM 256 OE1 GLN A 17 75.804 -10.933 -30.325 1.00 0.00 O ATOM 257 NE2 GLN A 17 74.729 -11.439 -32.174 1.00 0.00 N ATOM 0 H GLN A 17 78.069 -14.090 -32.688 1.00 0.00 H new ATOM 0 HA GLN A 17 78.159 -11.461 -31.754 1.00 0.00 H new ATOM 0 HB2 GLN A 17 77.862 -14.104 -30.244 1.00 0.00 H new ATOM 0 HB3 GLN A 17 77.482 -12.530 -29.573 1.00 0.00 H new ATOM 0 HG2 GLN A 17 76.230 -13.555 -32.166 1.00 0.00 H new ATOM 0 HG3 GLN A 17 75.498 -13.826 -30.597 1.00 0.00 H new ATOM 0 HE21 GLN A 17 74.509 -12.123 -32.898 1.00 0.00 H new ATOM 0 HE22 GLN A 17 74.317 -10.506 -32.211 1.00 0.00 H new ATOM 266 N LEU A 18 80.795 -13.198 -31.065 1.00 0.00 N ATOM 267 CA LEU A 18 82.136 -13.128 -30.496 1.00 0.00 C ATOM 268 C LEU A 18 83.189 -13.216 -31.595 1.00 0.00 C ATOM 269 O LEU A 18 83.293 -14.229 -32.287 1.00 0.00 O ATOM 270 CB LEU A 18 82.342 -14.270 -29.498 1.00 0.00 C ATOM 271 CG LEU A 18 81.156 -14.327 -28.534 1.00 0.00 C ATOM 272 CD1 LEU A 18 81.114 -15.698 -27.859 1.00 0.00 C ATOM 273 CD2 LEU A 18 81.315 -13.239 -27.469 1.00 0.00 C ATOM 0 H LEU A 18 80.639 -13.990 -31.688 1.00 0.00 H new ATOM 0 HA LEU A 18 82.242 -12.173 -29.981 1.00 0.00 H new ATOM 0 HB2 LEU A 18 82.439 -15.217 -30.028 1.00 0.00 H new ATOM 0 HB3 LEU A 18 83.268 -14.119 -28.943 1.00 0.00 H new ATOM 0 HG LEU A 18 80.230 -14.165 -29.085 1.00 0.00 H new ATOM 0 HD11 LEU A 18 80.269 -15.739 -27.172 1.00 0.00 H new ATOM 0 HD12 LEU A 18 81.004 -16.474 -28.617 1.00 0.00 H new ATOM 0 HD13 LEU A 18 82.039 -15.860 -27.306 1.00 0.00 H new ATOM 0 HD21 LEU A 18 80.471 -13.278 -26.781 1.00 0.00 H new ATOM 0 HD22 LEU A 18 82.241 -13.402 -26.917 1.00 0.00 H new ATOM 0 HD23 LEU A 18 81.347 -12.261 -27.950 1.00 0.00 H new ATOM 285 N ALA A 19 83.966 -12.150 -31.751 1.00 0.00 N ATOM 286 CA ALA A 19 84.986 -12.108 -32.793 1.00 0.00 C ATOM 287 C ALA A 19 85.901 -13.325 -32.694 1.00 0.00 C ATOM 288 O ALA A 19 86.645 -13.632 -33.626 1.00 0.00 O ATOM 289 CB ALA A 19 85.817 -10.830 -32.661 1.00 0.00 C ATOM 0 H ALA A 19 83.911 -11.310 -31.175 1.00 0.00 H new ATOM 0 HA ALA A 19 84.489 -12.118 -33.763 1.00 0.00 H new ATOM 0 HB1 ALA A 19 86.576 -10.807 -33.443 1.00 0.00 H new ATOM 0 HB2 ALA A 19 85.167 -9.961 -32.761 1.00 0.00 H new ATOM 0 HB3 ALA A 19 86.301 -10.810 -31.685 1.00 0.00 H new ATOM 295 N ASN A 20 85.840 -14.013 -31.559 1.00 0.00 N ATOM 296 CA ASN A 20 86.678 -15.187 -31.343 1.00 0.00 C ATOM 297 C ASN A 20 85.988 -16.443 -31.869 1.00 0.00 C ATOM 298 O ASN A 20 86.607 -17.499 -31.989 1.00 0.00 O ATOM 299 CB ASN A 20 86.973 -15.352 -29.851 1.00 0.00 C ATOM 300 CG ASN A 20 87.527 -14.051 -29.281 1.00 0.00 C ATOM 301 OD1 ASN A 20 88.341 -13.388 -29.924 1.00 0.00 O ATOM 302 ND2 ASN A 20 87.132 -13.643 -28.106 1.00 0.00 N ATOM 0 H ASN A 20 85.224 -13.781 -30.780 1.00 0.00 H new ATOM 0 HA ASN A 20 87.613 -15.046 -31.884 1.00 0.00 H new ATOM 0 HB2 ASN A 20 86.063 -15.632 -29.321 1.00 0.00 H new ATOM 0 HB3 ASN A 20 87.690 -16.159 -29.701 1.00 0.00 H new ATOM 0 HD21 ASN A 20 87.498 -12.773 -27.719 1.00 0.00 H new ATOM 0 HD22 ASN A 20 86.457 -14.194 -27.575 1.00 0.00 H new ATOM 309 N GLN A 21 84.702 -16.319 -32.181 1.00 0.00 N ATOM 310 CA GLN A 21 83.930 -17.457 -32.666 1.00 0.00 C ATOM 311 C GLN A 21 84.223 -17.713 -34.140 1.00 0.00 C ATOM 312 O GLN A 21 84.534 -18.837 -34.535 1.00 0.00 O ATOM 313 CB GLN A 21 82.435 -17.195 -32.478 1.00 0.00 C ATOM 314 CG GLN A 21 81.766 -18.443 -31.899 1.00 0.00 C ATOM 315 CD GLN A 21 81.863 -19.594 -32.894 1.00 0.00 C ATOM 316 OE1 GLN A 21 81.822 -19.376 -34.105 1.00 0.00 O ATOM 317 NE2 GLN A 21 81.990 -20.817 -32.454 1.00 0.00 N ATOM 0 H GLN A 21 84.176 -15.448 -32.107 1.00 0.00 H new ATOM 0 HA GLN A 21 84.217 -18.338 -32.092 1.00 0.00 H new ATOM 0 HB2 GLN A 21 82.285 -16.346 -31.811 1.00 0.00 H new ATOM 0 HB3 GLN A 21 81.978 -16.934 -33.433 1.00 0.00 H new ATOM 0 HG2 GLN A 21 82.246 -18.721 -30.961 1.00 0.00 H new ATOM 0 HG3 GLN A 21 80.720 -18.234 -31.673 1.00 0.00 H new ATOM 0 HE21 GLN A 21 82.024 -20.997 -31.451 1.00 0.00 H new ATOM 0 HE22 GLN A 21 82.055 -21.592 -33.114 1.00 0.00 H new ATOM 326 N CYS A 22 84.121 -16.663 -34.950 1.00 0.00 N ATOM 327 CA CYS A 22 84.360 -16.791 -36.383 1.00 0.00 C ATOM 328 C CYS A 22 85.675 -17.517 -36.645 1.00 0.00 C ATOM 329 O CYS A 22 85.696 -18.583 -37.259 1.00 0.00 O ATOM 330 CB CYS A 22 84.402 -15.406 -37.031 1.00 0.00 C ATOM 331 SG CYS A 22 82.720 -14.751 -37.165 1.00 0.00 S ATOM 0 H CYS A 22 83.877 -15.722 -34.642 1.00 0.00 H new ATOM 0 HA CYS A 22 83.546 -17.371 -36.817 1.00 0.00 H new ATOM 0 HB2 CYS A 22 85.019 -14.733 -36.436 1.00 0.00 H new ATOM 0 HB3 CYS A 22 84.859 -15.469 -38.019 1.00 0.00 H new ATOM 336 N ASN A 23 86.772 -16.933 -36.172 1.00 0.00 N ATOM 337 CA ASN A 23 88.088 -17.532 -36.364 1.00 0.00 C ATOM 338 C ASN A 23 88.050 -19.024 -36.049 1.00 0.00 C ATOM 339 O ASN A 23 88.511 -19.847 -36.839 1.00 0.00 O ATOM 340 CB ASN A 23 89.112 -16.843 -35.460 1.00 0.00 C ATOM 341 CG ASN A 23 88.710 -15.391 -35.229 1.00 0.00 C ATOM 342 OD1 ASN A 23 87.916 -14.837 -35.990 1.00 0.00 O ATOM 343 ND2 ASN A 23 89.214 -14.737 -34.219 1.00 0.00 N ATOM 0 H ASN A 23 86.776 -16.053 -35.657 1.00 0.00 H new ATOM 0 HA ASN A 23 88.377 -17.401 -37.407 1.00 0.00 H new ATOM 0 HB2 ASN A 23 89.178 -17.367 -34.506 1.00 0.00 H new ATOM 0 HB3 ASN A 23 90.101 -16.887 -35.917 1.00 0.00 H new ATOM 0 HD21 ASN A 23 88.951 -13.765 -34.058 1.00 0.00 H new ATOM 0 HD22 ASN A 23 89.871 -15.198 -33.590 1.00 0.00 H new ATOM 350 N TYR A 24 87.498 -19.364 -34.888 1.00 0.00 N ATOM 351 CA TYR A 24 87.394 -20.761 -34.484 1.00 0.00 C ATOM 352 C TYR A 24 86.722 -21.587 -35.577 1.00 0.00 C ATOM 353 O TYR A 24 87.319 -22.517 -36.119 1.00 0.00 O ATOM 354 CB TYR A 24 86.585 -20.870 -33.190 1.00 0.00 C ATOM 355 CG TYR A 24 87.521 -20.842 -32.006 1.00 0.00 C ATOM 356 CD1 TYR A 24 88.370 -19.745 -31.812 1.00 0.00 C ATOM 357 CD2 TYR A 24 87.543 -21.912 -31.105 1.00 0.00 C ATOM 358 CE1 TYR A 24 89.239 -19.718 -30.715 1.00 0.00 C ATOM 359 CE2 TYR A 24 88.413 -21.885 -30.007 1.00 0.00 C ATOM 360 CZ TYR A 24 89.260 -20.787 -29.812 1.00 0.00 C ATOM 361 OH TYR A 24 90.118 -20.761 -28.731 1.00 0.00 O ATOM 0 H TYR A 24 87.119 -18.697 -34.216 1.00 0.00 H new ATOM 0 HA TYR A 24 88.399 -21.148 -34.319 1.00 0.00 H new ATOM 0 HB2 TYR A 24 85.873 -20.047 -33.124 1.00 0.00 H new ATOM 0 HB3 TYR A 24 86.006 -21.794 -33.187 1.00 0.00 H new ATOM 0 HD1 TYR A 24 88.354 -18.920 -32.509 1.00 0.00 H new ATOM 0 HD2 TYR A 24 86.890 -22.759 -31.256 1.00 0.00 H new ATOM 0 HE1 TYR A 24 89.893 -18.872 -30.565 1.00 0.00 H new ATOM 0 HE2 TYR A 24 88.430 -22.711 -29.311 1.00 0.00 H new ATOM 0 HH TYR A 24 90.005 -21.579 -28.204 1.00 0.00 H new ATOM 371 N ASP A 25 85.480 -21.242 -35.895 1.00 0.00 N ATOM 372 CA ASP A 25 84.742 -21.951 -36.936 1.00 0.00 C ATOM 373 C ASP A 25 85.435 -21.794 -38.286 1.00 0.00 C ATOM 374 O ASP A 25 85.547 -22.752 -39.052 1.00 0.00 O ATOM 375 CB ASP A 25 83.315 -21.407 -37.028 1.00 0.00 C ATOM 376 CG ASP A 25 82.558 -21.711 -35.739 1.00 0.00 C ATOM 377 OD1 ASP A 25 83.082 -22.460 -34.931 1.00 0.00 O ATOM 378 OD2 ASP A 25 81.466 -21.191 -35.580 1.00 0.00 O ATOM 0 H ASP A 25 84.965 -20.482 -35.451 1.00 0.00 H new ATOM 0 HA ASP A 25 84.712 -23.009 -36.676 1.00 0.00 H new ATOM 0 HB2 ASP A 25 83.337 -20.331 -37.201 1.00 0.00 H new ATOM 0 HB3 ASP A 25 82.800 -21.856 -37.877 1.00 0.00 H new ATOM 383 N CYS A 26 85.897 -20.581 -38.571 1.00 0.00 N ATOM 384 CA CYS A 26 86.579 -20.311 -39.832 1.00 0.00 C ATOM 385 C CYS A 26 87.807 -21.204 -39.980 1.00 0.00 C ATOM 386 O CYS A 26 88.088 -21.716 -41.063 1.00 0.00 O ATOM 387 CB CYS A 26 87.004 -18.843 -39.892 1.00 0.00 C ATOM 388 SG CYS A 26 86.306 -18.074 -41.374 1.00 0.00 S ATOM 0 H CYS A 26 85.813 -19.775 -37.952 1.00 0.00 H new ATOM 0 HA CYS A 26 85.889 -20.523 -40.649 1.00 0.00 H new ATOM 0 HB2 CYS A 26 86.662 -18.317 -39.001 1.00 0.00 H new ATOM 0 HB3 CYS A 26 88.091 -18.768 -39.908 1.00 0.00 H new ATOM 393 N LYS A 27 88.536 -21.387 -38.884 1.00 0.00 N ATOM 394 CA LYS A 27 89.736 -22.216 -38.904 1.00 0.00 C ATOM 395 C LYS A 27 89.363 -23.695 -38.940 1.00 0.00 C ATOM 396 O LYS A 27 90.029 -24.497 -39.596 1.00 0.00 O ATOM 397 CB LYS A 27 90.589 -21.933 -37.667 1.00 0.00 C ATOM 398 CG LYS A 27 91.113 -20.497 -37.726 1.00 0.00 C ATOM 399 CD LYS A 27 91.380 -19.990 -36.307 1.00 0.00 C ATOM 400 CE LYS A 27 92.494 -20.822 -35.670 1.00 0.00 C ATOM 401 NZ LYS A 27 93.695 -20.804 -36.552 1.00 0.00 N ATOM 0 H LYS A 27 88.319 -20.975 -37.976 1.00 0.00 H new ATOM 0 HA LYS A 27 90.307 -21.974 -39.800 1.00 0.00 H new ATOM 0 HB2 LYS A 27 89.997 -22.079 -36.763 1.00 0.00 H new ATOM 0 HB3 LYS A 27 91.422 -22.634 -37.619 1.00 0.00 H new ATOM 0 HG2 LYS A 27 92.029 -20.457 -38.316 1.00 0.00 H new ATOM 0 HG3 LYS A 27 90.386 -19.854 -38.222 1.00 0.00 H new ATOM 0 HD2 LYS A 27 91.666 -18.939 -36.333 1.00 0.00 H new ATOM 0 HD3 LYS A 27 90.472 -20.059 -35.708 1.00 0.00 H new ATOM 0 HE2 LYS A 27 92.745 -20.422 -34.688 1.00 0.00 H new ATOM 0 HE3 LYS A 27 92.156 -21.847 -35.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 94.555 -20.843 -35.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 93.671 -21.626 -37.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 93.699 -19.930 -37.115 1.00 0.00 H new ATOM 415 N LEU A 28 88.295 -24.048 -38.232 1.00 0.00 N ATOM 416 CA LEU A 28 87.857 -25.438 -38.171 1.00 0.00 C ATOM 417 C LEU A 28 87.015 -25.789 -39.393 1.00 0.00 C ATOM 418 O LEU A 28 86.907 -26.955 -39.771 1.00 0.00 O ATOM 419 CB LEU A 28 87.039 -25.671 -36.899 1.00 0.00 C ATOM 420 CG LEU A 28 87.881 -25.304 -35.677 1.00 0.00 C ATOM 421 CD1 LEU A 28 86.960 -24.973 -34.501 1.00 0.00 C ATOM 422 CD2 LEU A 28 88.779 -26.486 -35.303 1.00 0.00 C ATOM 0 H LEU A 28 87.721 -23.397 -37.696 1.00 0.00 H new ATOM 0 HA LEU A 28 88.739 -26.078 -38.158 1.00 0.00 H new ATOM 0 HB2 LEU A 28 86.131 -25.069 -36.922 1.00 0.00 H new ATOM 0 HB3 LEU A 28 86.728 -26.714 -36.840 1.00 0.00 H new ATOM 0 HG LEU A 28 88.498 -24.436 -35.910 1.00 0.00 H new ATOM 0 HD11 LEU A 28 87.561 -24.712 -33.630 1.00 0.00 H new ATOM 0 HD12 LEU A 28 86.320 -24.132 -34.766 1.00 0.00 H new ATOM 0 HD13 LEU A 28 86.342 -25.840 -34.268 1.00 0.00 H new ATOM 0 HD21 LEU A 28 89.380 -26.225 -34.432 1.00 0.00 H new ATOM 0 HD22 LEU A 28 88.161 -27.353 -35.071 1.00 0.00 H new ATOM 0 HD23 LEU A 28 89.437 -26.722 -36.140 1.00 0.00 H new ATOM 434 N ASP A 29 86.420 -24.770 -40.008 1.00 0.00 N ATOM 435 CA ASP A 29 85.537 -24.989 -41.147 1.00 0.00 C ATOM 436 C ASP A 29 86.322 -24.920 -42.453 1.00 0.00 C ATOM 437 O ASP A 29 86.382 -25.894 -43.205 1.00 0.00 O ATOM 438 CB ASP A 29 84.430 -23.933 -41.160 1.00 0.00 C ATOM 439 CG ASP A 29 83.538 -24.098 -39.935 1.00 0.00 C ATOM 440 OD1 ASP A 29 83.747 -25.048 -39.197 1.00 0.00 O ATOM 441 OD2 ASP A 29 82.658 -23.274 -39.752 1.00 0.00 O ATOM 0 H ASP A 29 86.533 -23.793 -39.739 1.00 0.00 H new ATOM 0 HA ASP A 29 85.093 -25.980 -41.054 1.00 0.00 H new ATOM 0 HB2 ASP A 29 84.868 -22.935 -41.169 1.00 0.00 H new ATOM 0 HB3 ASP A 29 83.835 -24.029 -42.069 1.00 0.00 H new ATOM 446 N LYS A 30 86.924 -23.764 -42.716 1.00 0.00 N ATOM 447 CA LYS A 30 87.629 -23.550 -43.974 1.00 0.00 C ATOM 448 C LYS A 30 89.124 -23.379 -43.726 1.00 0.00 C ATOM 449 O LYS A 30 89.903 -23.199 -44.663 1.00 0.00 O ATOM 450 CB LYS A 30 87.079 -22.307 -44.677 1.00 0.00 C ATOM 451 CG LYS A 30 85.556 -22.271 -44.532 1.00 0.00 C ATOM 452 CD LYS A 30 84.945 -23.475 -45.250 1.00 0.00 C ATOM 453 CE LYS A 30 83.425 -23.313 -45.318 1.00 0.00 C ATOM 454 NZ LYS A 30 82.851 -24.372 -46.195 1.00 0.00 N ATOM 0 H LYS A 30 86.938 -22.967 -42.080 1.00 0.00 H new ATOM 0 HA LYS A 30 87.475 -24.422 -44.609 1.00 0.00 H new ATOM 0 HB2 LYS A 30 87.518 -21.408 -44.245 1.00 0.00 H new ATOM 0 HB3 LYS A 30 87.354 -22.321 -45.732 1.00 0.00 H new ATOM 0 HG2 LYS A 30 85.280 -22.285 -43.478 1.00 0.00 H new ATOM 0 HG3 LYS A 30 85.162 -21.346 -44.952 1.00 0.00 H new ATOM 0 HD2 LYS A 30 85.357 -23.560 -46.255 1.00 0.00 H new ATOM 0 HD3 LYS A 30 85.200 -24.394 -44.722 1.00 0.00 H new ATOM 0 HE2 LYS A 30 82.996 -23.382 -44.318 1.00 0.00 H new ATOM 0 HE3 LYS A 30 83.171 -22.327 -45.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 81.818 -24.262 -46.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 83.252 -24.286 -47.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 83.082 -25.308 -45.806 1.00 0.00 H new ATOM 468 N HIS A 31 89.519 -23.436 -42.458 1.00 0.00 N ATOM 469 CA HIS A 31 90.926 -23.298 -42.098 1.00 0.00 C ATOM 470 C HIS A 31 91.430 -21.897 -42.425 1.00 0.00 C ATOM 471 O HIS A 31 92.375 -21.732 -43.197 1.00 0.00 O ATOM 472 CB HIS A 31 91.762 -24.332 -42.853 1.00 0.00 C ATOM 473 CG HIS A 31 91.044 -25.653 -42.858 1.00 0.00 C ATOM 474 ND1 HIS A 31 91.225 -26.597 -41.857 1.00 0.00 N ATOM 475 CD2 HIS A 31 90.141 -26.204 -43.732 1.00 0.00 C ATOM 476 CE1 HIS A 31 90.449 -27.655 -42.152 1.00 0.00 C ATOM 477 NE2 HIS A 31 89.766 -27.467 -43.285 1.00 0.00 N ATOM 0 H HIS A 31 88.890 -23.576 -41.667 1.00 0.00 H new ATOM 0 HA HIS A 31 91.024 -23.465 -41.025 1.00 0.00 H new ATOM 0 HB2 HIS A 31 91.936 -23.997 -43.876 1.00 0.00 H new ATOM 0 HB3 HIS A 31 92.739 -24.439 -42.382 1.00 0.00 H new ATOM 0 HD2 HIS A 31 89.777 -25.729 -44.631 1.00 0.00 H new ATOM 0 HE1 HIS A 31 90.386 -28.547 -41.547 1.00 0.00 H new ATOM 0 HE2 HIS A 31 89.110 -28.111 -43.727 1.00 0.00 H new ATOM 485 N ALA A 32 90.795 -20.890 -41.834 1.00 0.00 N ATOM 486 CA ALA A 32 91.194 -19.507 -42.066 1.00 0.00 C ATOM 487 C ALA A 32 92.304 -19.101 -41.101 1.00 0.00 C ATOM 488 O ALA A 32 92.885 -19.944 -40.418 1.00 0.00 O ATOM 489 CB ALA A 32 89.993 -18.577 -41.884 1.00 0.00 C ATOM 0 H ALA A 32 90.008 -21.004 -41.196 1.00 0.00 H new ATOM 0 HA ALA A 32 91.566 -19.423 -43.087 1.00 0.00 H new ATOM 0 HB1 ALA A 32 90.301 -17.546 -42.059 1.00 0.00 H new ATOM 0 HB2 ALA A 32 89.212 -18.848 -42.594 1.00 0.00 H new ATOM 0 HB3 ALA A 32 89.609 -18.673 -40.868 1.00 0.00 H new ATOM 495 N ARG A 33 92.592 -17.805 -41.051 1.00 0.00 N ATOM 496 CA ARG A 33 93.640 -17.298 -40.172 1.00 0.00 C ATOM 497 C ARG A 33 93.055 -16.348 -39.132 1.00 0.00 C ATOM 498 O ARG A 33 93.434 -16.385 -37.961 1.00 0.00 O ATOM 499 CB ARG A 33 94.702 -16.567 -40.994 1.00 0.00 C ATOM 500 CG ARG A 33 95.322 -17.535 -42.004 1.00 0.00 C ATOM 501 CD ARG A 33 96.454 -16.832 -42.755 1.00 0.00 C ATOM 502 NE ARG A 33 96.873 -17.633 -43.900 1.00 0.00 N ATOM 503 CZ ARG A 33 97.511 -18.787 -43.735 1.00 0.00 C ATOM 504 NH1 ARG A 33 97.774 -19.220 -42.533 1.00 0.00 N ATOM 505 NH2 ARG A 33 97.874 -19.486 -44.775 1.00 0.00 N ATOM 0 H ARG A 33 92.119 -17.091 -41.604 1.00 0.00 H new ATOM 0 HA ARG A 33 94.097 -18.143 -39.658 1.00 0.00 H new ATOM 0 HB2 ARG A 33 94.255 -15.720 -41.514 1.00 0.00 H new ATOM 0 HB3 ARG A 33 95.474 -16.167 -40.337 1.00 0.00 H new ATOM 0 HG2 ARG A 33 95.705 -18.417 -41.491 1.00 0.00 H new ATOM 0 HG3 ARG A 33 94.563 -17.879 -42.707 1.00 0.00 H new ATOM 0 HD2 ARG A 33 96.122 -15.850 -43.091 1.00 0.00 H new ATOM 0 HD3 ARG A 33 97.299 -16.671 -42.086 1.00 0.00 H new ATOM 0 HE ARG A 33 96.673 -17.302 -44.844 1.00 0.00 H new ATOM 0 HH11 ARG A 33 97.490 -18.673 -41.720 1.00 0.00 H new ATOM 0 HH12 ARG A 33 98.264 -20.106 -42.406 1.00 0.00 H new ATOM 0 HH21 ARG A 33 97.668 -19.147 -45.715 1.00 0.00 H new ATOM 0 HH22 ARG A 33 98.364 -20.372 -44.648 1.00 0.00 H new ATOM 519 N SER A 34 92.130 -15.499 -39.568 1.00 0.00 N ATOM 520 CA SER A 34 91.537 -14.510 -38.676 1.00 0.00 C ATOM 521 C SER A 34 90.020 -14.667 -38.632 1.00 0.00 C ATOM 522 O SER A 34 89.365 -14.200 -37.700 1.00 0.00 O ATOM 523 CB SER A 34 91.890 -13.100 -39.151 1.00 0.00 C ATOM 524 OG SER A 34 90.956 -12.691 -40.141 1.00 0.00 O ATOM 0 H SER A 34 91.777 -15.476 -40.525 1.00 0.00 H new ATOM 0 HA SER A 34 91.937 -14.668 -37.674 1.00 0.00 H new ATOM 0 HB2 SER A 34 91.874 -12.406 -38.311 1.00 0.00 H new ATOM 0 HB3 SER A 34 92.901 -13.083 -39.559 1.00 0.00 H new ATOM 0 HG SER A 34 91.178 -11.787 -40.447 1.00 0.00 H new ATOM 530 N GLY A 35 89.469 -15.329 -39.644 1.00 0.00 N ATOM 531 CA GLY A 35 88.026 -15.524 -39.719 1.00 0.00 C ATOM 532 C GLY A 35 87.284 -14.312 -39.167 1.00 0.00 C ATOM 533 O GLY A 35 86.642 -14.389 -38.120 1.00 0.00 O ATOM 0 H GLY A 35 89.995 -15.736 -40.417 1.00 0.00 H new ATOM 0 HA2 GLY A 35 87.731 -15.695 -40.754 1.00 0.00 H new ATOM 0 HA3 GLY A 35 87.746 -16.414 -39.156 1.00 0.00 H new ATOM 537 N GLU A 36 87.376 -13.194 -39.879 1.00 0.00 N ATOM 538 CA GLU A 36 86.741 -11.960 -39.430 1.00 0.00 C ATOM 539 C GLU A 36 85.344 -11.829 -40.027 1.00 0.00 C ATOM 540 O GLU A 36 85.092 -12.277 -41.146 1.00 0.00 O ATOM 541 CB GLU A 36 87.590 -10.755 -39.841 1.00 0.00 C ATOM 542 CG GLU A 36 88.647 -10.485 -38.769 1.00 0.00 C ATOM 543 CD GLU A 36 87.986 -9.938 -37.509 1.00 0.00 C ATOM 544 OE1 GLU A 36 86.840 -9.528 -37.595 1.00 0.00 O ATOM 545 OE2 GLU A 36 88.635 -9.936 -36.476 1.00 0.00 O ATOM 0 H GLU A 36 87.880 -13.116 -40.762 1.00 0.00 H new ATOM 0 HA GLU A 36 86.658 -11.991 -38.344 1.00 0.00 H new ATOM 0 HB2 GLU A 36 88.071 -10.946 -40.801 1.00 0.00 H new ATOM 0 HB3 GLU A 36 86.956 -9.878 -39.971 1.00 0.00 H new ATOM 0 HG2 GLU A 36 89.185 -11.404 -38.537 1.00 0.00 H new ATOM 0 HG3 GLU A 36 89.382 -9.772 -39.143 1.00 0.00 H new ATOM 552 N CYS A 37 84.441 -11.211 -39.274 1.00 0.00 N ATOM 553 CA CYS A 37 83.072 -11.021 -39.740 1.00 0.00 C ATOM 554 C CYS A 37 82.972 -9.782 -40.624 1.00 0.00 C ATOM 555 O CYS A 37 83.783 -8.863 -40.514 1.00 0.00 O ATOM 556 CB CYS A 37 82.072 -10.785 -38.568 1.00 0.00 C ATOM 557 SG CYS A 37 81.284 -12.307 -37.983 1.00 0.00 S ATOM 0 H CYS A 37 84.630 -10.835 -38.345 1.00 0.00 H new ATOM 0 HA CYS A 37 82.818 -11.934 -40.279 1.00 0.00 H new ATOM 0 HB2 CYS A 37 82.600 -10.315 -37.738 1.00 0.00 H new ATOM 0 HB3 CYS A 37 81.301 -10.086 -38.892 1.00 0.00 H new ATOM 562 N PHE A 38 81.972 -9.766 -41.499 1.00 0.00 N ATOM 563 CA PHE A 38 81.752 -8.617 -42.372 1.00 0.00 C ATOM 564 C PHE A 38 80.267 -8.454 -42.679 1.00 0.00 C ATOM 565 O PHE A 38 79.460 -9.330 -42.367 1.00 0.00 O ATOM 566 CB PHE A 38 82.529 -8.798 -43.678 1.00 0.00 C ATOM 567 CG PHE A 38 84.009 -8.685 -43.404 1.00 0.00 C ATOM 568 CD1 PHE A 38 84.729 -9.808 -42.980 1.00 0.00 C ATOM 569 CD2 PHE A 38 84.661 -7.458 -43.576 1.00 0.00 C ATOM 570 CE1 PHE A 38 86.103 -9.704 -42.727 1.00 0.00 C ATOM 571 CE2 PHE A 38 86.034 -7.354 -43.322 1.00 0.00 C ATOM 572 CZ PHE A 38 86.755 -8.477 -42.898 1.00 0.00 C ATOM 0 H PHE A 38 81.306 -10.528 -41.623 1.00 0.00 H new ATOM 0 HA PHE A 38 82.105 -7.722 -41.860 1.00 0.00 H new ATOM 0 HB2 PHE A 38 82.303 -9.770 -44.116 1.00 0.00 H new ATOM 0 HB3 PHE A 38 82.224 -8.043 -44.403 1.00 0.00 H new ATOM 0 HD1 PHE A 38 84.226 -10.754 -42.848 1.00 0.00 H new ATOM 0 HD2 PHE A 38 84.105 -6.592 -43.904 1.00 0.00 H new ATOM 0 HE1 PHE A 38 86.659 -10.570 -42.400 1.00 0.00 H new ATOM 0 HE2 PHE A 38 86.537 -6.407 -43.453 1.00 0.00 H new ATOM 0 HZ PHE A 38 87.814 -8.397 -42.703 1.00 0.00 H new ATOM 582 N TYR A 39 79.914 -7.328 -43.289 1.00 0.00 N ATOM 583 CA TYR A 39 78.523 -7.061 -43.633 1.00 0.00 C ATOM 584 C TYR A 39 78.261 -7.395 -45.098 1.00 0.00 C ATOM 585 O TYR A 39 78.931 -6.879 -45.992 1.00 0.00 O ATOM 586 CB TYR A 39 78.194 -5.589 -43.376 1.00 0.00 C ATOM 587 CG TYR A 39 78.109 -5.347 -41.888 1.00 0.00 C ATOM 588 CD1 TYR A 39 76.888 -5.505 -41.221 1.00 0.00 C ATOM 589 CD2 TYR A 39 79.251 -4.963 -41.175 1.00 0.00 C ATOM 590 CE1 TYR A 39 76.809 -5.280 -39.842 1.00 0.00 C ATOM 591 CE2 TYR A 39 79.173 -4.739 -39.796 1.00 0.00 C ATOM 592 CZ TYR A 39 77.952 -4.897 -39.129 1.00 0.00 C ATOM 593 OH TYR A 39 77.873 -4.676 -37.769 1.00 0.00 O ATOM 0 H TYR A 39 80.567 -6.590 -43.554 1.00 0.00 H new ATOM 0 HA TYR A 39 77.887 -7.689 -43.009 1.00 0.00 H new ATOM 0 HB2 TYR A 39 78.961 -4.951 -43.816 1.00 0.00 H new ATOM 0 HB3 TYR A 39 77.249 -5.327 -43.853 1.00 0.00 H new ATOM 0 HD1 TYR A 39 76.007 -5.801 -41.771 1.00 0.00 H new ATOM 0 HD2 TYR A 39 80.193 -4.840 -41.690 1.00 0.00 H new ATOM 0 HE1 TYR A 39 75.867 -5.402 -39.328 1.00 0.00 H new ATOM 0 HE2 TYR A 39 80.055 -4.444 -39.246 1.00 0.00 H new ATOM 0 HH TYR A 39 78.755 -4.418 -37.428 1.00 0.00 H new ATOM 603 N ASP A 40 77.282 -8.262 -45.337 1.00 0.00 N ATOM 604 CA ASP A 40 76.938 -8.657 -46.698 1.00 0.00 C ATOM 605 C ASP A 40 75.665 -7.953 -47.156 1.00 0.00 C ATOM 606 O ASP A 40 75.310 -6.892 -46.640 1.00 0.00 O ATOM 607 CB ASP A 40 76.739 -10.172 -46.767 1.00 0.00 C ATOM 608 CG ASP A 40 78.053 -10.885 -46.469 1.00 0.00 C ATOM 609 OD1 ASP A 40 79.049 -10.202 -46.295 1.00 0.00 O ATOM 610 OD2 ASP A 40 78.044 -12.104 -46.418 1.00 0.00 O ATOM 0 H ASP A 40 76.716 -8.702 -44.611 1.00 0.00 H new ATOM 0 HA ASP A 40 77.756 -8.367 -47.358 1.00 0.00 H new ATOM 0 HB2 ASP A 40 75.978 -10.480 -46.050 1.00 0.00 H new ATOM 0 HB3 ASP A 40 76.378 -10.455 -47.756 1.00 0.00 H new ATOM 615 N GLU A 41 74.981 -8.551 -48.126 1.00 0.00 N ATOM 616 CA GLU A 41 73.752 -7.967 -48.652 1.00 0.00 C ATOM 617 C GLU A 41 72.663 -7.957 -47.583 1.00 0.00 C ATOM 618 O GLU A 41 71.739 -7.146 -47.633 1.00 0.00 O ATOM 619 CB GLU A 41 73.271 -8.767 -49.864 1.00 0.00 C ATOM 620 CG GLU A 41 74.313 -8.677 -50.982 1.00 0.00 C ATOM 621 CD GLU A 41 73.821 -9.427 -52.216 1.00 0.00 C ATOM 622 OE1 GLU A 41 72.827 -10.125 -52.103 1.00 0.00 O ATOM 623 OE2 GLU A 41 74.447 -9.293 -53.254 1.00 0.00 O ATOM 0 H GLU A 41 75.254 -9.432 -48.561 1.00 0.00 H new ATOM 0 HA GLU A 41 73.960 -6.940 -48.953 1.00 0.00 H new ATOM 0 HB2 GLU A 41 73.110 -9.808 -49.585 1.00 0.00 H new ATOM 0 HB3 GLU A 41 72.314 -8.379 -50.212 1.00 0.00 H new ATOM 0 HG2 GLU A 41 74.501 -7.633 -51.232 1.00 0.00 H new ATOM 0 HG3 GLU A 41 75.259 -9.099 -50.643 1.00 0.00 H new ATOM 630 N LYS A 42 72.781 -8.863 -46.618 1.00 0.00 N ATOM 631 CA LYS A 42 71.798 -8.953 -45.544 1.00 0.00 C ATOM 632 C LYS A 42 72.286 -8.204 -44.309 1.00 0.00 C ATOM 633 O LYS A 42 71.808 -8.440 -43.198 1.00 0.00 O ATOM 634 CB LYS A 42 71.546 -10.419 -45.188 1.00 0.00 C ATOM 635 CG LYS A 42 71.019 -11.161 -46.418 1.00 0.00 C ATOM 636 CD LYS A 42 71.040 -12.668 -46.153 1.00 0.00 C ATOM 637 CE LYS A 42 70.075 -12.999 -45.013 1.00 0.00 C ATOM 638 NZ LYS A 42 69.747 -14.453 -45.047 1.00 0.00 N ATOM 0 H LYS A 42 73.541 -9.540 -46.557 1.00 0.00 H new ATOM 0 HA LYS A 42 70.869 -8.499 -45.888 1.00 0.00 H new ATOM 0 HB2 LYS A 42 72.468 -10.883 -44.838 1.00 0.00 H new ATOM 0 HB3 LYS A 42 70.826 -10.487 -44.373 1.00 0.00 H new ATOM 0 HG2 LYS A 42 70.004 -10.835 -46.645 1.00 0.00 H new ATOM 0 HG3 LYS A 42 71.632 -10.925 -47.288 1.00 0.00 H new ATOM 0 HD2 LYS A 42 70.755 -13.211 -47.054 1.00 0.00 H new ATOM 0 HD3 LYS A 42 72.049 -12.988 -45.894 1.00 0.00 H new ATOM 0 HE2 LYS A 42 70.524 -12.739 -44.055 1.00 0.00 H new ATOM 0 HE3 LYS A 42 69.165 -12.407 -45.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 69.091 -14.679 -44.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 69.302 -14.687 -45.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 70.619 -15.008 -44.935 1.00 0.00 H new ATOM 652 N ARG A 43 73.238 -7.299 -44.508 1.00 0.00 N ATOM 653 CA ARG A 43 73.794 -6.532 -43.400 1.00 0.00 C ATOM 654 C ARG A 43 74.047 -7.435 -42.197 1.00 0.00 C ATOM 655 O ARG A 43 74.098 -6.970 -41.058 1.00 0.00 O ATOM 656 CB ARG A 43 72.830 -5.411 -43.005 1.00 0.00 C ATOM 657 CG ARG A 43 72.997 -4.232 -43.966 1.00 0.00 C ATOM 658 CD ARG A 43 71.873 -3.222 -43.734 1.00 0.00 C ATOM 659 NE ARG A 43 71.933 -2.162 -44.735 1.00 0.00 N ATOM 660 CZ ARG A 43 71.377 -0.975 -44.513 1.00 0.00 C ATOM 661 NH1 ARG A 43 70.765 -0.743 -43.385 1.00 0.00 N ATOM 662 NH2 ARG A 43 71.444 -0.044 -45.424 1.00 0.00 N ATOM 0 H ARG A 43 73.639 -7.080 -45.420 1.00 0.00 H new ATOM 0 HA ARG A 43 74.742 -6.100 -43.721 1.00 0.00 H new ATOM 0 HB2 ARG A 43 71.803 -5.774 -43.033 1.00 0.00 H new ATOM 0 HB3 ARG A 43 73.027 -5.091 -41.982 1.00 0.00 H new ATOM 0 HG2 ARG A 43 73.965 -3.757 -43.810 1.00 0.00 H new ATOM 0 HG3 ARG A 43 72.977 -4.584 -44.997 1.00 0.00 H new ATOM 0 HD2 ARG A 43 70.907 -3.724 -43.783 1.00 0.00 H new ATOM 0 HD3 ARG A 43 71.959 -2.794 -42.735 1.00 0.00 H new ATOM 0 HE ARG A 43 72.410 -2.335 -45.620 1.00 0.00 H new ATOM 0 HH11 ARG A 43 70.713 -1.472 -42.674 1.00 0.00 H new ATOM 0 HH12 ARG A 43 70.338 0.168 -43.214 1.00 0.00 H new ATOM 0 HH21 ARG A 43 71.923 -0.227 -46.306 1.00 0.00 H new ATOM 0 HH22 ARG A 43 71.018 0.867 -45.255 1.00 0.00 H new ATOM 676 N ASN A 44 74.204 -8.729 -42.458 1.00 0.00 N ATOM 677 CA ASN A 44 74.460 -9.689 -41.390 1.00 0.00 C ATOM 678 C ASN A 44 75.957 -9.936 -41.239 1.00 0.00 C ATOM 679 O ASN A 44 76.709 -9.863 -42.211 1.00 0.00 O ATOM 680 CB ASN A 44 73.750 -11.009 -41.693 1.00 0.00 C ATOM 681 CG ASN A 44 72.281 -10.914 -41.296 1.00 0.00 C ATOM 682 OD1 ASN A 44 71.822 -9.860 -40.855 1.00 0.00 O ATOM 683 ND2 ASN A 44 71.510 -11.960 -41.426 1.00 0.00 N ATOM 0 H ASN A 44 74.159 -9.135 -43.393 1.00 0.00 H new ATOM 0 HA ASN A 44 74.076 -9.277 -40.457 1.00 0.00 H new ATOM 0 HB2 ASN A 44 73.834 -11.241 -42.755 1.00 0.00 H new ATOM 0 HB3 ASN A 44 74.230 -11.823 -41.150 1.00 0.00 H new ATOM 0 HD21 ASN A 44 70.526 -11.904 -41.162 1.00 0.00 H new ATOM 0 HD22 ASN A 44 71.892 -12.833 -41.791 1.00 0.00 H new ATOM 690 N LEU A 45 76.384 -10.229 -40.015 1.00 0.00 N ATOM 691 CA LEU A 45 77.791 -10.510 -39.753 1.00 0.00 C ATOM 692 C LEU A 45 78.131 -11.947 -40.133 1.00 0.00 C ATOM 693 O LEU A 45 77.721 -12.892 -39.458 1.00 0.00 O ATOM 694 CB LEU A 45 78.102 -10.285 -38.271 1.00 0.00 C ATOM 695 CG LEU A 45 77.232 -9.149 -37.734 1.00 0.00 C ATOM 696 CD1 LEU A 45 77.535 -8.931 -36.250 1.00 0.00 C ATOM 697 CD2 LEU A 45 77.536 -7.865 -38.509 1.00 0.00 C ATOM 0 H LEU A 45 75.781 -10.278 -39.194 1.00 0.00 H new ATOM 0 HA LEU A 45 78.395 -9.834 -40.358 1.00 0.00 H new ATOM 0 HB2 LEU A 45 77.915 -11.198 -37.707 1.00 0.00 H new ATOM 0 HB3 LEU A 45 79.157 -10.041 -38.143 1.00 0.00 H new ATOM 0 HG LEU A 45 76.180 -9.408 -37.856 1.00 0.00 H new ATOM 0 HD11 LEU A 45 76.914 -8.121 -35.867 1.00 0.00 H new ATOM 0 HD12 LEU A 45 77.320 -9.845 -35.697 1.00 0.00 H new ATOM 0 HD13 LEU A 45 78.587 -8.672 -36.128 1.00 0.00 H new ATOM 0 HD21 LEU A 45 76.916 -7.054 -38.127 1.00 0.00 H new ATOM 0 HD22 LEU A 45 78.588 -7.606 -38.386 1.00 0.00 H new ATOM 0 HD23 LEU A 45 77.321 -8.019 -39.566 1.00 0.00 H new ATOM 709 N GLN A 46 78.883 -12.105 -41.218 1.00 0.00 N ATOM 710 CA GLN A 46 79.247 -13.433 -41.697 1.00 0.00 C ATOM 711 C GLN A 46 80.742 -13.675 -41.518 1.00 0.00 C ATOM 712 O GLN A 46 81.567 -12.896 -41.992 1.00 0.00 O ATOM 713 CB GLN A 46 78.879 -13.574 -43.175 1.00 0.00 C ATOM 714 CG GLN A 46 77.427 -13.137 -43.385 1.00 0.00 C ATOM 715 CD GLN A 46 76.479 -14.165 -42.777 1.00 0.00 C ATOM 716 OE1 GLN A 46 76.925 -15.177 -42.236 1.00 0.00 O ATOM 717 NE2 GLN A 46 75.191 -13.964 -42.833 1.00 0.00 N ATOM 0 H GLN A 46 79.250 -11.336 -41.778 1.00 0.00 H new ATOM 0 HA GLN A 46 78.698 -14.172 -41.114 1.00 0.00 H new ATOM 0 HB2 GLN A 46 79.545 -12.965 -43.786 1.00 0.00 H new ATOM 0 HB3 GLN A 46 79.009 -14.608 -43.496 1.00 0.00 H new ATOM 0 HG2 GLN A 46 77.262 -12.162 -42.926 1.00 0.00 H new ATOM 0 HG3 GLN A 46 77.222 -13.027 -44.450 1.00 0.00 H new ATOM 0 HE21 GLN A 46 74.825 -13.124 -43.282 1.00 0.00 H new ATOM 0 HE22 GLN A 46 74.550 -14.646 -42.428 1.00 0.00 H new ATOM 726 N CYS A 47 81.083 -14.761 -40.831 1.00 0.00 N ATOM 727 CA CYS A 47 82.483 -15.109 -40.618 1.00 0.00 C ATOM 728 C CYS A 47 83.173 -15.389 -41.949 1.00 0.00 C ATOM 729 O CYS A 47 82.910 -16.403 -42.596 1.00 0.00 O ATOM 730 CB CYS A 47 82.620 -16.358 -39.728 1.00 0.00 C ATOM 731 SG CYS A 47 81.709 -16.180 -38.174 1.00 0.00 S ATOM 0 H CYS A 47 80.415 -15.410 -40.415 1.00 0.00 H new ATOM 0 HA CYS A 47 82.953 -14.260 -40.123 1.00 0.00 H new ATOM 0 HB2 CYS A 47 82.252 -17.231 -40.267 1.00 0.00 H new ATOM 0 HB3 CYS A 47 83.673 -16.537 -39.513 1.00 0.00 H new ATOM 736 N ILE A 48 84.059 -14.484 -42.353 1.00 0.00 N ATOM 737 CA ILE A 48 84.778 -14.641 -43.611 1.00 0.00 C ATOM 738 C ILE A 48 86.171 -15.212 -43.366 1.00 0.00 C ATOM 739 O ILE A 48 87.000 -14.589 -42.702 1.00 0.00 O ATOM 740 CB ILE A 48 84.897 -13.289 -44.318 1.00 0.00 C ATOM 741 CG1 ILE A 48 83.499 -12.776 -44.672 1.00 0.00 C ATOM 742 CG2 ILE A 48 85.718 -13.452 -45.598 1.00 0.00 C ATOM 743 CD1 ILE A 48 83.618 -11.600 -45.643 1.00 0.00 C ATOM 0 H ILE A 48 84.295 -13.640 -41.831 1.00 0.00 H new ATOM 0 HA ILE A 48 84.220 -15.333 -44.241 1.00 0.00 H new ATOM 0 HB ILE A 48 85.391 -12.576 -43.658 1.00 0.00 H new ATOM 0 HG12 ILE A 48 82.910 -13.575 -45.122 1.00 0.00 H new ATOM 0 HG13 ILE A 48 82.975 -12.464 -43.769 1.00 0.00 H new ATOM 0 HG21 ILE A 48 85.802 -12.489 -46.101 1.00 0.00 H new ATOM 0 HG22 ILE A 48 86.713 -13.819 -45.348 1.00 0.00 H new ATOM 0 HG23 ILE A 48 85.224 -14.164 -46.259 1.00 0.00 H new ATOM 0 HD11 ILE A 48 82.623 -11.234 -45.895 1.00 0.00 H new ATOM 0 HD12 ILE A 48 84.191 -10.799 -45.176 1.00 0.00 H new ATOM 0 HD13 ILE A 48 84.125 -11.927 -46.551 1.00 0.00 H new ATOM 755 N CYS A 49 86.421 -16.401 -43.904 1.00 0.00 N ATOM 756 CA CYS A 49 87.728 -17.033 -43.761 1.00 0.00 C ATOM 757 C CYS A 49 88.727 -16.423 -44.738 1.00 0.00 C ATOM 758 O CYS A 49 88.593 -16.572 -45.953 1.00 0.00 O ATOM 759 CB CYS A 49 87.610 -18.526 -44.065 1.00 0.00 C ATOM 760 SG CYS A 49 86.633 -19.428 -42.837 1.00 0.00 S ATOM 0 H CYS A 49 85.742 -16.943 -44.439 1.00 0.00 H new ATOM 0 HA CYS A 49 88.074 -16.877 -42.739 1.00 0.00 H new ATOM 0 HB2 CYS A 49 87.156 -18.655 -45.047 1.00 0.00 H new ATOM 0 HB3 CYS A 49 88.609 -18.960 -44.116 1.00 0.00 H new ATOM 765 N ASP A 50 89.729 -15.736 -44.201 1.00 0.00 N ATOM 766 CA ASP A 50 90.725 -15.075 -45.036 1.00 0.00 C ATOM 767 C ASP A 50 92.048 -15.829 -44.991 1.00 0.00 C ATOM 768 O ASP A 50 92.650 -15.986 -43.929 1.00 0.00 O ATOM 769 CB ASP A 50 90.938 -13.638 -44.557 1.00 0.00 C ATOM 770 CG ASP A 50 89.599 -13.006 -44.190 1.00 0.00 C ATOM 771 OD1 ASP A 50 88.588 -13.668 -44.356 1.00 0.00 O ATOM 772 OD2 ASP A 50 89.604 -11.868 -43.749 1.00 0.00 O ATOM 0 H ASP A 50 89.873 -15.623 -43.198 1.00 0.00 H new ATOM 0 HA ASP A 50 90.361 -15.065 -46.063 1.00 0.00 H new ATOM 0 HB2 ASP A 50 91.603 -13.629 -43.693 1.00 0.00 H new ATOM 0 HB3 ASP A 50 91.423 -13.054 -45.339 1.00 0.00 H new ATOM 777 N TYR A 51 92.498 -16.296 -46.152 1.00 0.00 N ATOM 778 CA TYR A 51 93.780 -16.981 -46.244 1.00 0.00 C ATOM 779 C TYR A 51 94.795 -16.121 -46.990 1.00 0.00 C ATOM 780 O TYR A 51 95.288 -16.504 -48.052 1.00 0.00 O ATOM 781 CB TYR A 51 93.606 -18.317 -46.970 1.00 0.00 C ATOM 782 CG TYR A 51 92.207 -18.835 -46.739 1.00 0.00 C ATOM 783 CD1 TYR A 51 91.170 -18.464 -47.602 1.00 0.00 C ATOM 784 CD2 TYR A 51 91.946 -19.688 -45.658 1.00 0.00 C ATOM 785 CE1 TYR A 51 89.873 -18.944 -47.387 1.00 0.00 C ATOM 786 CE2 TYR A 51 90.649 -20.168 -45.443 1.00 0.00 C ATOM 787 CZ TYR A 51 89.612 -19.796 -46.308 1.00 0.00 C ATOM 788 OH TYR A 51 88.334 -20.270 -46.095 1.00 0.00 O ATOM 0 H TYR A 51 91.996 -16.213 -47.036 1.00 0.00 H new ATOM 0 HA TYR A 51 94.148 -17.162 -45.234 1.00 0.00 H new ATOM 0 HB2 TYR A 51 93.787 -18.190 -48.037 1.00 0.00 H new ATOM 0 HB3 TYR A 51 94.337 -19.039 -46.607 1.00 0.00 H new ATOM 0 HD1 TYR A 51 91.371 -17.806 -48.435 1.00 0.00 H new ATOM 0 HD2 TYR A 51 92.746 -19.975 -44.991 1.00 0.00 H new ATOM 0 HE1 TYR A 51 89.074 -18.657 -48.054 1.00 0.00 H new ATOM 0 HE2 TYR A 51 90.448 -20.825 -44.610 1.00 0.00 H new ATOM 0 HH TYR A 51 87.980 -20.643 -46.929 1.00 0.00 H new ATOM 798 N CYS A 52 95.104 -14.957 -46.427 1.00 0.00 N ATOM 799 CA CYS A 52 96.041 -14.037 -47.062 1.00 0.00 C ATOM 800 C CYS A 52 96.371 -12.878 -46.126 1.00 0.00 C ATOM 801 O CYS A 52 96.054 -12.918 -44.937 1.00 0.00 O ATOM 802 CB CYS A 52 95.443 -13.493 -48.359 1.00 0.00 C ATOM 803 SG CYS A 52 95.747 -14.667 -49.704 1.00 0.00 S ATOM 0 H CYS A 52 94.723 -14.630 -45.539 1.00 0.00 H new ATOM 0 HA CYS A 52 96.958 -14.581 -47.287 1.00 0.00 H new ATOM 0 HB2 CYS A 52 94.372 -13.332 -48.238 1.00 0.00 H new ATOM 0 HB3 CYS A 52 95.886 -12.526 -48.599 1.00 0.00 H new ATOM 808 N GLU A 53 97.008 -11.847 -46.671 1.00 0.00 N ATOM 809 CA GLU A 53 97.362 -10.676 -45.878 1.00 0.00 C ATOM 810 C GLU A 53 96.431 -9.510 -46.198 1.00 0.00 C ATOM 811 O GLU A 53 96.815 -8.569 -46.894 1.00 0.00 O ATOM 812 CB GLU A 53 98.809 -10.269 -46.164 1.00 0.00 C ATOM 813 CG GLU A 53 99.756 -11.350 -45.638 1.00 0.00 C ATOM 814 CD GLU A 53 99.731 -11.367 -44.113 1.00 0.00 C ATOM 815 OE1 GLU A 53 99.233 -10.414 -43.537 1.00 0.00 O ATOM 816 OE2 GLU A 53 100.210 -12.335 -43.544 1.00 0.00 O ATOM 0 H GLU A 53 97.288 -11.798 -47.651 1.00 0.00 H new ATOM 0 HA GLU A 53 97.258 -10.930 -44.823 1.00 0.00 H new ATOM 0 HB2 GLU A 53 98.955 -10.133 -47.236 1.00 0.00 H new ATOM 0 HB3 GLU A 53 99.030 -9.314 -45.688 1.00 0.00 H new ATOM 0 HG2 GLU A 53 99.460 -12.325 -46.026 1.00 0.00 H new ATOM 0 HG3 GLU A 53 100.770 -11.161 -45.991 1.00 0.00 H new ATOM 823 N TYR A 54 95.207 -9.577 -45.684 1.00 0.00 N ATOM 824 CA TYR A 54 94.233 -8.516 -45.913 1.00 0.00 C ATOM 825 C TYR A 54 94.905 -7.148 -45.837 1.00 0.00 C ATOM 826 CB TYR A 54 93.118 -8.598 -44.870 1.00 0.00 C ATOM 827 CG TYR A 54 93.720 -8.827 -43.504 1.00 0.00 C ATOM 828 CD1 TYR A 54 93.930 -10.131 -43.041 1.00 0.00 C ATOM 829 CD2 TYR A 54 94.068 -7.734 -42.700 1.00 0.00 C ATOM 830 CE1 TYR A 54 94.489 -10.343 -41.775 1.00 0.00 C ATOM 831 CE2 TYR A 54 94.626 -7.946 -41.434 1.00 0.00 C ATOM 832 CZ TYR A 54 94.837 -9.251 -40.972 1.00 0.00 C ATOM 833 OH TYR A 54 95.387 -9.459 -39.724 1.00 0.00 O ATOM 0 H TYR A 54 94.868 -10.349 -45.110 1.00 0.00 H new ATOM 0 HA TYR A 54 93.809 -8.645 -46.909 1.00 0.00 H new ATOM 0 HB2 TYR A 54 92.535 -7.677 -44.872 1.00 0.00 H new ATOM 0 HB3 TYR A 54 92.433 -9.409 -45.118 1.00 0.00 H new ATOM 0 HD1 TYR A 54 93.661 -10.974 -43.660 1.00 0.00 H new ATOM 0 HD2 TYR A 54 93.906 -6.728 -43.057 1.00 0.00 H new ATOM 0 HE1 TYR A 54 94.652 -11.349 -41.418 1.00 0.00 H new ATOM 0 HE2 TYR A 54 94.894 -7.103 -40.814 1.00 0.00 H new ATOM 0 HH TYR A 54 95.571 -8.595 -39.299 1.00 0.00 H new TER 843 TYR A 54