USER MOD reduce.3.24.130724 H: found=0, std=0, add=502, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 503 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 38 LYS NZ :NH3+ -136:sc= 0.397! (180deg=-0.916) USER MOD Set 1.2: A 39 TYR OH : rot 166:sc= 0.952 USER MOD Set 2.1: A 32 ASN : amide:sc= -4.43! C(o=-5.4!,f=-18!) USER MOD Set 2.2: A 36 LYS NZ :NH3+ -155:sc= -0.923! (180deg=-1.32!) USER MOD Set 3.1: A 27 SER OG : rot -169:sc= 1.19 USER MOD Set 3.2: A 30 THR OG1 : rot 116:sc= 0.761 USER MOD Single : A 4 ASN : amide:sc= 0.406 K(o=0.41,f=-2.4) USER MOD Single : A 5 ASN : amide:sc= -1.21! X(o=-1.2!,f=-1.5) USER MOD Single : A 7 LYS NZ :NH3+ -113:sc= 0.675 (180deg=-2.03!) USER MOD Single : A 12 LYS NZ :NH3+ -164:sc= -0.0203 (180deg=-0.298) USER MOD Single : A 13 LYS NZ :NH3+ -157:sc= -1.53! (180deg=-2.39!) USER MOD Single : A 14 LYS NZ :NH3+ -138:sc= 0.682 (180deg=-0.583!) USER MOD Single : A 16 SER OG : rot -104:sc= 1.08 USER MOD Single : A 17 GLN : amide:sc= -0.312 K(o=-0.31,f=-4.1!) USER MOD Single : A 18 SER OG : rot 179:sc= -1.54! USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 37 ASN : amide:sc=-0.000461 X(o=-0.00046,f=-0.00046) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 42 SER OG : rot 180:sc= 0.0262 USER MOD Single : A 44 GLN : amide:sc= -0.0563 X(o=-0.056,f=0) USER MOD Single : A 48 LYS NZ :NH3+ -167:sc= 0.883 (180deg=0.634) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.651 X(o=-0.65,f=-0.67) USER MOD Single : A 55 THR OG1 : rot -127:sc= -0.259 USER MOD ----------------------------------------------------------------- ATOM 56 N ASN A 4 -0.569 -1.836 -5.416 1.00 0.00 N ATOM 57 CA ASN A 4 -1.502 -2.680 -4.685 1.00 0.00 C ATOM 58 C ASN A 4 -1.424 -4.115 -5.167 1.00 0.00 C ATOM 59 O ASN A 4 -2.420 -4.843 -5.157 1.00 0.00 O ATOM 60 CB ASN A 4 -2.947 -2.164 -4.811 1.00 0.00 C ATOM 61 CG ASN A 4 -3.040 -0.673 -4.490 1.00 0.00 C ATOM 62 OD1 ASN A 4 -2.090 -0.081 -3.976 1.00 0.00 O ATOM 63 ND2 ASN A 4 -4.141 -0.035 -4.741 1.00 0.00 N ATOM 0 HA ASN A 4 -1.216 -2.643 -3.634 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -3.311 -2.343 -5.823 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -3.594 -2.724 -4.136 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -4.220 0.956 -4.513 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -4.928 -0.524 -5.167 1.00 0.00 H new ATOM 70 N ASN A 5 -0.235 -4.544 -5.543 1.00 0.00 N ATOM 71 CA ASN A 5 -0.043 -5.914 -6.016 1.00 0.00 C ATOM 72 C ASN A 5 0.033 -6.877 -4.842 1.00 0.00 C ATOM 73 O ASN A 5 0.740 -7.882 -4.884 1.00 0.00 O ATOM 74 CB ASN A 5 1.206 -6.023 -6.894 1.00 0.00 C ATOM 75 CG ASN A 5 2.478 -6.050 -6.054 1.00 0.00 C ATOM 76 OD1 ASN A 5 3.326 -6.917 -6.262 1.00 0.00 O ATOM 77 ND2 ASN A 5 2.667 -5.166 -5.122 1.00 0.00 N ATOM 0 H ASN A 5 0.611 -3.974 -5.533 1.00 0.00 H new ATOM 0 HA ASN A 5 -0.903 -6.186 -6.627 1.00 0.00 H new ATOM 0 HB2 ASN A 5 1.149 -6.928 -7.499 1.00 0.00 H new ATOM 0 HB3 ASN A 5 1.242 -5.180 -7.584 1.00 0.00 H new ATOM 0 HD21 ASN A 5 3.519 -5.190 -4.562 1.00 0.00 H new ATOM 0 HD22 ASN A 5 1.964 -4.448 -4.950 1.00 0.00 H new ATOM 84 N LEU A 6 -0.784 -6.608 -3.843 1.00 0.00 N ATOM 85 CA LEU A 6 -0.876 -7.446 -2.648 1.00 0.00 C ATOM 86 C LEU A 6 -1.344 -8.832 -3.048 1.00 0.00 C ATOM 87 O LEU A 6 -0.815 -9.852 -2.596 1.00 0.00 O ATOM 88 CB LEU A 6 -1.869 -6.792 -1.652 1.00 0.00 C ATOM 89 CG LEU A 6 -2.038 -7.616 -0.351 1.00 0.00 C ATOM 90 CD1 LEU A 6 -3.079 -8.718 -0.544 1.00 0.00 C ATOM 91 CD2 LEU A 6 -0.704 -8.223 0.098 1.00 0.00 C ATOM 0 H LEU A 6 -1.408 -5.801 -3.830 1.00 0.00 H new ATOM 0 HA LEU A 6 0.098 -7.535 -2.166 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.519 -5.791 -1.401 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.840 -6.679 -2.134 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.384 -6.938 0.429 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.184 -9.286 0.381 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.038 -8.271 -0.806 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.759 -9.385 -1.345 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.854 -8.795 1.013 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.322 -8.881 -0.683 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.015 -7.425 0.283 1.00 0.00 H new ATOM 103 N LYS A 7 -2.304 -8.849 -3.937 1.00 0.00 N ATOM 104 CA LYS A 7 -2.887 -10.075 -4.448 1.00 0.00 C ATOM 105 C LYS A 7 -1.834 -11.050 -4.954 1.00 0.00 C ATOM 106 O LYS A 7 -1.868 -12.218 -4.595 1.00 0.00 O ATOM 107 CB LYS A 7 -3.864 -9.736 -5.575 1.00 0.00 C ATOM 108 CG LYS A 7 -3.272 -8.598 -6.430 1.00 0.00 C ATOM 109 CD LYS A 7 -4.334 -8.045 -7.370 1.00 0.00 C ATOM 110 CE LYS A 7 -3.857 -6.689 -7.914 1.00 0.00 C ATOM 111 NZ LYS A 7 -4.879 -6.121 -8.817 1.00 0.00 N ATOM 0 H LYS A 7 -2.712 -8.003 -4.335 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.409 -10.564 -3.625 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.045 -10.615 -6.193 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.826 -9.434 -5.161 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.898 -7.804 -5.784 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.423 -8.968 -7.005 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.510 -8.740 -8.191 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.281 -7.928 -6.843 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.667 -6.003 -7.089 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -2.915 -6.813 -8.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.510 -6.099 -9.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.736 -6.710 -8.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.112 -5.154 -8.513 1.00 0.00 H new ATOM 125 N LEU A 8 -0.904 -10.571 -5.786 1.00 0.00 N ATOM 126 CA LEU A 8 0.108 -11.461 -6.375 1.00 0.00 C ATOM 127 C LEU A 8 0.931 -12.108 -5.284 1.00 0.00 C ATOM 128 O LEU A 8 1.095 -13.329 -5.249 1.00 0.00 O ATOM 129 CB LEU A 8 1.058 -10.656 -7.283 1.00 0.00 C ATOM 130 CG LEU A 8 0.468 -10.418 -8.701 1.00 0.00 C ATOM 131 CD1 LEU A 8 -0.855 -11.163 -8.915 1.00 0.00 C ATOM 132 CD2 LEU A 8 0.249 -8.923 -8.920 1.00 0.00 C ATOM 0 H LEU A 8 -0.828 -9.593 -6.064 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.408 -12.225 -6.957 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.273 -9.695 -6.817 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.006 -11.186 -7.372 1.00 0.00 H new ATOM 0 HG LEU A 8 1.186 -10.808 -9.422 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.226 -10.964 -9.920 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.693 -12.234 -8.793 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.588 -10.821 -8.184 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.165 -8.758 -9.915 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.445 -8.543 -8.171 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.201 -8.399 -8.831 1.00 0.00 H new ATOM 144 N ILE A 9 1.360 -11.300 -4.355 1.00 0.00 N ATOM 145 CA ILE A 9 2.096 -11.774 -3.212 1.00 0.00 C ATOM 146 C ILE A 9 1.185 -12.676 -2.375 1.00 0.00 C ATOM 147 O ILE A 9 1.600 -13.721 -1.886 1.00 0.00 O ATOM 148 CB ILE A 9 2.556 -10.557 -2.410 1.00 0.00 C ATOM 149 CG1 ILE A 9 3.584 -9.778 -3.240 1.00 0.00 C ATOM 150 CG2 ILE A 9 3.231 -11.019 -1.118 1.00 0.00 C ATOM 151 CD1 ILE A 9 3.447 -8.297 -2.965 1.00 0.00 C ATOM 0 H ILE A 9 1.210 -10.291 -4.367 1.00 0.00 H new ATOM 0 HA ILE A 9 2.968 -12.355 -3.513 1.00 0.00 H new ATOM 0 HB ILE A 9 1.696 -9.930 -2.175 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.592 -10.111 -2.994 1.00 0.00 H new ATOM 0 HG13 ILE A 9 3.433 -9.976 -4.301 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.558 -10.150 -0.548 1.00 0.00 H new ATOM 0 HG22 ILE A 9 2.523 -11.597 -0.524 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.094 -11.640 -1.360 1.00 0.00 H new ATOM 0 HD11 ILE A 9 4.179 -7.748 -3.557 1.00 0.00 H new ATOM 0 HD12 ILE A 9 2.443 -7.968 -3.234 1.00 0.00 H new ATOM 0 HD13 ILE A 9 3.620 -8.106 -1.906 1.00 0.00 H new ATOM 163 N ARG A 10 -0.051 -12.235 -2.192 1.00 0.00 N ATOM 164 CA ARG A 10 -1.032 -12.979 -1.412 1.00 0.00 C ATOM 165 C ARG A 10 -1.375 -14.334 -2.058 1.00 0.00 C ATOM 166 O ARG A 10 -1.387 -15.370 -1.374 1.00 0.00 O ATOM 167 CB ARG A 10 -2.297 -12.121 -1.224 1.00 0.00 C ATOM 168 CG ARG A 10 -3.514 -13.003 -0.947 1.00 0.00 C ATOM 169 CD ARG A 10 -4.355 -13.124 -2.227 1.00 0.00 C ATOM 170 NE ARG A 10 -5.080 -14.387 -2.244 1.00 0.00 N ATOM 171 CZ ARG A 10 -5.802 -14.776 -3.298 1.00 0.00 C ATOM 172 NH1 ARG A 10 -5.968 -13.964 -4.309 1.00 0.00 N ATOM 173 NH2 ARG A 10 -6.369 -15.950 -3.297 1.00 0.00 N ATOM 0 H ARG A 10 -0.402 -11.358 -2.577 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.597 -13.199 -0.437 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.151 -11.425 -0.398 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.472 -11.522 -2.118 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.194 -13.990 -0.614 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -4.113 -12.574 -0.144 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -5.058 -12.293 -2.287 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.708 -13.058 -3.102 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.035 -14.994 -1.425 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -5.546 -13.035 -4.292 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -6.519 -14.259 -5.115 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -6.260 -16.568 -2.493 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -6.921 -16.250 -4.100 1.00 0.00 H new ATOM 187 N GLU A 11 -1.641 -14.334 -3.363 1.00 0.00 N ATOM 188 CA GLU A 11 -1.979 -15.574 -4.063 1.00 0.00 C ATOM 189 C GLU A 11 -0.774 -16.495 -4.104 1.00 0.00 C ATOM 190 O GLU A 11 -0.900 -17.719 -4.137 1.00 0.00 O ATOM 191 CB GLU A 11 -2.495 -15.307 -5.490 1.00 0.00 C ATOM 192 CG GLU A 11 -1.390 -14.667 -6.335 1.00 0.00 C ATOM 193 CD GLU A 11 -1.748 -14.703 -7.801 1.00 0.00 C ATOM 194 OE1 GLU A 11 -2.861 -14.350 -8.140 1.00 0.00 O ATOM 195 OE2 GLU A 11 -0.905 -15.093 -8.571 1.00 0.00 O ATOM 0 H GLU A 11 -1.630 -13.501 -3.952 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.784 -16.056 -3.509 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.820 -16.241 -5.949 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.364 -14.650 -5.454 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.236 -13.635 -6.019 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.450 -15.194 -6.172 1.00 0.00 H new ATOM 202 N LYS A 12 0.398 -15.888 -4.107 1.00 0.00 N ATOM 203 CA LYS A 12 1.659 -16.609 -4.188 1.00 0.00 C ATOM 204 C LYS A 12 1.698 -17.622 -3.061 1.00 0.00 C ATOM 205 O LYS A 12 1.951 -18.806 -3.272 1.00 0.00 O ATOM 206 CB LYS A 12 2.748 -15.587 -3.920 1.00 0.00 C ATOM 207 CG LYS A 12 4.140 -16.148 -4.099 1.00 0.00 C ATOM 208 CD LYS A 12 5.088 -15.041 -3.654 1.00 0.00 C ATOM 209 CE LYS A 12 6.531 -15.378 -3.981 1.00 0.00 C ATOM 210 NZ LYS A 12 6.871 -16.743 -3.505 1.00 0.00 N ATOM 0 H LYS A 12 0.505 -14.875 -4.053 1.00 0.00 H new ATOM 0 HA LYS A 12 1.781 -17.104 -5.152 1.00 0.00 H new ATOM 0 HB2 LYS A 12 2.615 -14.738 -4.591 1.00 0.00 H new ATOM 0 HB3 LYS A 12 2.642 -15.209 -2.903 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.280 -17.048 -3.500 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.321 -16.425 -5.138 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.812 -14.106 -4.142 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.985 -14.882 -2.581 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.690 -15.312 -5.057 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.195 -14.649 -3.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.905 -16.857 -3.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.490 -16.881 -2.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.456 -17.448 -4.147 1.00 0.00 H new ATOM 224 N LYS A 13 1.385 -17.144 -1.878 1.00 0.00 N ATOM 225 CA LYS A 13 1.324 -17.980 -0.678 1.00 0.00 C ATOM 226 C LYS A 13 -0.093 -18.518 -0.436 1.00 0.00 C ATOM 227 O LYS A 13 -0.338 -19.237 0.537 1.00 0.00 O ATOM 228 CB LYS A 13 1.825 -17.198 0.538 1.00 0.00 C ATOM 229 CG LYS A 13 1.182 -15.800 0.564 1.00 0.00 C ATOM 230 CD LYS A 13 1.645 -15.042 1.809 1.00 0.00 C ATOM 231 CE LYS A 13 3.081 -14.529 1.601 1.00 0.00 C ATOM 232 NZ LYS A 13 3.677 -14.170 2.908 1.00 0.00 N ATOM 0 H LYS A 13 1.163 -16.163 -1.710 1.00 0.00 H new ATOM 0 HA LYS A 13 1.975 -18.840 -0.834 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.581 -17.737 1.453 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.911 -17.108 0.501 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.457 -15.246 -0.334 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.096 -15.889 0.564 1.00 0.00 H new ATOM 0 HD2 LYS A 13 0.975 -14.205 2.007 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.605 -15.696 2.680 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.684 -15.295 1.114 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.075 -13.661 0.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.448 -13.487 2.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.949 -13.745 3.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.054 -15.025 3.364 1.00 0.00 H new ATOM 246 N LYS A 14 -1.000 -18.206 -1.351 1.00 0.00 N ATOM 247 CA LYS A 14 -2.384 -18.689 -1.294 1.00 0.00 C ATOM 248 C LYS A 14 -3.100 -18.262 -0.021 1.00 0.00 C ATOM 249 O LYS A 14 -3.974 -18.977 0.487 1.00 0.00 O ATOM 250 CB LYS A 14 -2.435 -20.209 -1.455 1.00 0.00 C ATOM 251 CG LYS A 14 -1.824 -20.590 -2.798 1.00 0.00 C ATOM 252 CD LYS A 14 -2.679 -20.037 -3.939 1.00 0.00 C ATOM 253 CE LYS A 14 -2.049 -20.449 -5.264 1.00 0.00 C ATOM 254 NZ LYS A 14 -0.747 -19.750 -5.423 1.00 0.00 N ATOM 0 H LYS A 14 -0.803 -17.611 -2.156 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.913 -18.227 -2.127 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.890 -20.691 -0.644 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.466 -20.559 -1.398 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.810 -20.197 -2.870 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.752 -21.675 -2.879 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.697 -20.421 -3.869 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.742 -18.951 -3.872 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.902 -21.529 -5.290 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.714 -20.198 -6.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.650 -19.416 -6.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.708 -18.938 -4.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.029 -20.407 -5.203 1.00 0.00 H new ATOM 268 N ILE A 15 -2.865 -17.037 0.382 1.00 0.00 N ATOM 269 CA ILE A 15 -3.601 -16.437 1.487 1.00 0.00 C ATOM 270 C ILE A 15 -4.920 -15.871 0.966 1.00 0.00 C ATOM 271 O ILE A 15 -4.942 -15.210 -0.064 1.00 0.00 O ATOM 272 CB ILE A 15 -2.746 -15.333 2.169 1.00 0.00 C ATOM 273 CG1 ILE A 15 -1.833 -15.941 3.256 1.00 0.00 C ATOM 274 CG2 ILE A 15 -3.645 -14.273 2.810 1.00 0.00 C ATOM 275 CD1 ILE A 15 -1.123 -17.194 2.738 1.00 0.00 C ATOM 0 H ILE A 15 -2.165 -16.425 -0.038 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.819 -17.197 2.237 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.130 -14.869 1.398 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.094 -15.204 3.570 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.426 -16.192 4.135 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.027 -13.509 3.282 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.268 -13.813 2.043 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.281 -14.741 3.562 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.486 -17.602 3.523 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.864 -17.939 2.448 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.512 -16.935 1.874 1.00 0.00 H new ATOM 287 N SER A 16 -6.020 -16.148 1.649 1.00 0.00 N ATOM 288 CA SER A 16 -7.306 -15.598 1.228 1.00 0.00 C ATOM 289 C SER A 16 -7.412 -14.159 1.703 1.00 0.00 C ATOM 290 O SER A 16 -6.709 -13.762 2.623 1.00 0.00 O ATOM 291 CB SER A 16 -8.484 -16.442 1.758 1.00 0.00 C ATOM 292 OG SER A 16 -8.833 -16.033 3.084 1.00 0.00 O ATOM 0 H SER A 16 -6.053 -16.738 2.481 1.00 0.00 H new ATOM 0 HA SER A 16 -7.360 -15.625 0.140 1.00 0.00 H new ATOM 0 HB2 SER A 16 -9.345 -16.332 1.098 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.213 -17.498 1.755 1.00 0.00 H new ATOM 0 HG SER A 16 -8.500 -16.692 3.728 1.00 0.00 H new ATOM 298 N GLN A 17 -8.315 -13.394 1.120 1.00 0.00 N ATOM 299 CA GLN A 17 -8.528 -12.014 1.551 1.00 0.00 C ATOM 300 C GLN A 17 -9.055 -11.974 2.984 1.00 0.00 C ATOM 301 O GLN A 17 -8.870 -10.991 3.700 1.00 0.00 O ATOM 302 CB GLN A 17 -9.519 -11.309 0.609 1.00 0.00 C ATOM 303 CG GLN A 17 -8.854 -11.010 -0.740 1.00 0.00 C ATOM 304 CD GLN A 17 -7.838 -9.884 -0.568 1.00 0.00 C ATOM 305 OE1 GLN A 17 -8.176 -8.828 -0.037 1.00 0.00 O ATOM 306 NE2 GLN A 17 -6.626 -10.042 -0.977 1.00 0.00 N ATOM 0 H GLN A 17 -8.913 -13.697 0.351 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.571 -11.493 1.516 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -10.397 -11.938 0.458 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.866 -10.381 1.064 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -8.361 -11.904 -1.120 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.608 -10.725 -1.474 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -6.347 -10.919 -1.417 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -5.946 -9.291 -0.860 1.00 0.00 H new ATOM 315 N SER A 18 -9.800 -12.998 3.356 1.00 0.00 N ATOM 316 CA SER A 18 -10.456 -13.036 4.651 1.00 0.00 C ATOM 317 C SER A 18 -9.477 -13.005 5.822 1.00 0.00 C ATOM 318 O SER A 18 -9.754 -12.368 6.843 1.00 0.00 O ATOM 319 CB SER A 18 -11.352 -14.265 4.745 1.00 0.00 C ATOM 320 OG SER A 18 -12.249 -14.280 3.634 1.00 0.00 O ATOM 0 H SER A 18 -9.967 -13.820 2.776 1.00 0.00 H new ATOM 0 HA SER A 18 -11.058 -12.130 4.726 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.746 -15.171 4.751 1.00 0.00 H new ATOM 0 HB3 SER A 18 -11.913 -14.250 5.680 1.00 0.00 H new ATOM 0 HG SER A 18 -12.815 -15.079 3.681 1.00 0.00 H new ATOM 326 N GLU A 19 -8.402 -13.779 5.742 1.00 0.00 N ATOM 327 CA GLU A 19 -7.511 -13.890 6.892 1.00 0.00 C ATOM 328 C GLU A 19 -6.795 -12.586 7.203 1.00 0.00 C ATOM 329 O GLU A 19 -6.945 -12.043 8.299 1.00 0.00 O ATOM 330 CB GLU A 19 -6.515 -15.056 6.752 1.00 0.00 C ATOM 331 CG GLU A 19 -5.932 -15.115 5.332 1.00 0.00 C ATOM 332 CD GLU A 19 -6.267 -16.448 4.678 1.00 0.00 C ATOM 333 OE1 GLU A 19 -7.372 -16.907 4.850 1.00 0.00 O ATOM 334 OE2 GLU A 19 -5.419 -17.000 4.022 1.00 0.00 O ATOM 0 H GLU A 19 -8.131 -14.323 4.923 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.152 -14.114 7.745 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.708 -14.939 7.476 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.016 -15.996 6.983 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.333 -14.297 4.733 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.851 -14.982 5.370 1.00 0.00 H new ATOM 341 N LEU A 20 -6.056 -12.050 6.239 1.00 0.00 N ATOM 342 CA LEU A 20 -5.320 -10.817 6.493 1.00 0.00 C ATOM 343 C LEU A 20 -6.237 -9.671 6.859 1.00 0.00 C ATOM 344 O LEU A 20 -5.958 -8.933 7.792 1.00 0.00 O ATOM 345 CB LEU A 20 -4.287 -10.436 5.388 1.00 0.00 C ATOM 346 CG LEU A 20 -4.907 -10.295 3.974 1.00 0.00 C ATOM 347 CD1 LEU A 20 -5.630 -11.560 3.557 1.00 0.00 C ATOM 348 CD2 LEU A 20 -5.852 -9.093 3.890 1.00 0.00 C ATOM 0 H LEU A 20 -5.951 -12.435 5.300 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.707 -11.031 7.368 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.808 -9.495 5.660 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.505 -11.195 5.358 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.082 -10.128 3.282 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -6.052 -11.426 2.561 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.927 -12.393 3.544 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -6.431 -11.772 4.265 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.267 -9.026 2.884 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.661 -9.216 4.610 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.301 -8.180 4.116 1.00 0.00 H new ATOM 360 N ALA A 21 -7.375 -9.577 6.201 1.00 0.00 N ATOM 361 CA ALA A 21 -8.329 -8.525 6.525 1.00 0.00 C ATOM 362 C ALA A 21 -8.633 -8.538 8.018 1.00 0.00 C ATOM 363 O ALA A 21 -8.610 -7.488 8.677 1.00 0.00 O ATOM 364 CB ALA A 21 -9.623 -8.698 5.725 1.00 0.00 C ATOM 0 H ALA A 21 -7.663 -10.204 5.449 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.886 -7.566 6.258 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -10.320 -7.901 5.984 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.400 -8.653 4.659 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.071 -9.663 5.962 1.00 0.00 H new ATOM 370 N ALA A 22 -8.804 -9.735 8.576 1.00 0.00 N ATOM 371 CA ALA A 22 -8.996 -9.868 10.008 1.00 0.00 C ATOM 372 C ALA A 22 -7.734 -9.442 10.736 1.00 0.00 C ATOM 373 O ALA A 22 -7.796 -8.751 11.762 1.00 0.00 O ATOM 374 CB ALA A 22 -9.356 -11.310 10.380 1.00 0.00 C ATOM 0 H ALA A 22 -8.813 -10.615 8.060 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.822 -9.223 10.308 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.495 -11.384 11.459 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.279 -11.597 9.875 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.551 -11.977 10.071 1.00 0.00 H new ATOM 380 N LEU A 23 -6.594 -9.828 10.184 1.00 0.00 N ATOM 381 CA LEU A 23 -5.302 -9.482 10.762 1.00 0.00 C ATOM 382 C LEU A 23 -5.122 -7.971 10.723 1.00 0.00 C ATOM 383 O LEU A 23 -4.534 -7.372 11.621 1.00 0.00 O ATOM 384 CB LEU A 23 -4.160 -10.147 9.974 1.00 0.00 C ATOM 385 CG LEU A 23 -4.320 -11.679 9.992 1.00 0.00 C ATOM 386 CD1 LEU A 23 -3.140 -12.357 9.301 1.00 0.00 C ATOM 387 CD2 LEU A 23 -4.474 -12.202 11.413 1.00 0.00 C ATOM 0 H LEU A 23 -6.536 -10.385 9.331 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.273 -9.838 11.792 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.161 -9.786 8.945 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.200 -9.870 10.408 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.229 -11.921 9.442 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.276 -13.438 9.326 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.084 -12.023 8.265 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.216 -12.095 9.817 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.585 -13.286 11.392 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.591 -11.939 11.995 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.357 -11.756 11.871 1.00 0.00 H new ATOM 399 N LEU A 24 -5.568 -7.378 9.628 1.00 0.00 N ATOM 400 CA LEU A 24 -5.407 -5.950 9.378 1.00 0.00 C ATOM 401 C LEU A 24 -6.324 -5.125 10.259 1.00 0.00 C ATOM 402 O LEU A 24 -6.107 -3.923 10.420 1.00 0.00 O ATOM 403 CB LEU A 24 -5.698 -5.633 7.913 1.00 0.00 C ATOM 404 CG LEU A 24 -4.682 -6.340 7.020 1.00 0.00 C ATOM 405 CD1 LEU A 24 -5.047 -6.127 5.553 1.00 0.00 C ATOM 406 CD2 LEU A 24 -3.295 -5.778 7.292 1.00 0.00 C ATOM 0 H LEU A 24 -6.055 -7.874 8.882 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.375 -5.691 9.614 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.708 -5.953 7.656 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.654 -4.556 7.748 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.690 -7.408 7.236 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.319 -6.634 4.920 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.040 -6.535 5.362 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.043 -5.060 5.328 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.567 -6.281 6.655 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.287 -4.709 7.078 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.035 -5.940 8.338 1.00 0.00 H new ATOM 418 N GLU A 25 -7.404 -5.743 10.725 1.00 0.00 N ATOM 419 CA GLU A 25 -8.426 -5.056 11.519 1.00 0.00 C ATOM 420 C GLU A 25 -9.335 -4.241 10.604 1.00 0.00 C ATOM 421 O GLU A 25 -9.903 -3.220 11.023 1.00 0.00 O ATOM 422 CB GLU A 25 -7.782 -4.110 12.552 1.00 0.00 C ATOM 423 CG GLU A 25 -6.796 -4.876 13.445 1.00 0.00 C ATOM 424 CD GLU A 25 -6.126 -3.906 14.390 1.00 0.00 C ATOM 425 OE1 GLU A 25 -6.822 -3.293 15.164 1.00 0.00 O ATOM 426 OE2 GLU A 25 -4.920 -3.777 14.321 1.00 0.00 O ATOM 0 H GLU A 25 -7.599 -6.731 10.566 1.00 0.00 H new ATOM 0 HA GLU A 25 -9.006 -5.814 12.045 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.263 -3.301 12.038 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.557 -3.652 13.166 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.321 -5.648 14.008 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -6.049 -5.381 12.833 1.00 0.00 H new ATOM 433 N VAL A 26 -9.429 -4.653 9.348 1.00 0.00 N ATOM 434 CA VAL A 26 -10.223 -3.925 8.363 1.00 0.00 C ATOM 435 C VAL A 26 -11.104 -4.865 7.551 1.00 0.00 C ATOM 436 O VAL A 26 -10.971 -6.097 7.640 1.00 0.00 O ATOM 437 CB VAL A 26 -9.323 -3.087 7.445 1.00 0.00 C ATOM 438 CG1 VAL A 26 -8.543 -2.067 8.285 1.00 0.00 C ATOM 439 CG2 VAL A 26 -8.337 -3.991 6.698 1.00 0.00 C ATOM 0 H VAL A 26 -8.967 -5.487 8.985 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.880 -3.246 8.907 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.947 -2.567 6.719 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.904 -1.472 7.633 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.243 -1.412 8.804 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.928 -2.592 9.016 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.705 -3.383 6.051 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.714 -4.523 7.417 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.889 -4.711 6.094 1.00 0.00 H new ATOM 449 N SER A 27 -12.042 -4.291 6.823 1.00 0.00 N ATOM 450 CA SER A 27 -12.976 -5.066 6.034 1.00 0.00 C ATOM 451 C SER A 27 -12.297 -5.698 4.812 1.00 0.00 C ATOM 452 O SER A 27 -11.451 -5.073 4.157 1.00 0.00 O ATOM 453 CB SER A 27 -14.151 -4.183 5.614 1.00 0.00 C ATOM 454 OG SER A 27 -13.664 -2.910 5.164 1.00 0.00 O ATOM 0 H SER A 27 -12.177 -3.282 6.763 1.00 0.00 H new ATOM 0 HA SER A 27 -13.349 -5.885 6.649 1.00 0.00 H new ATOM 0 HB2 SER A 27 -14.717 -4.668 4.819 1.00 0.00 H new ATOM 0 HB3 SER A 27 -14.833 -4.046 6.453 1.00 0.00 H new ATOM 0 HG SER A 27 -14.416 -2.290 5.061 1.00 0.00 H new ATOM 460 N ARG A 28 -12.685 -6.930 4.513 1.00 0.00 N ATOM 461 CA ARG A 28 -12.124 -7.690 3.401 1.00 0.00 C ATOM 462 C ARG A 28 -12.417 -7.007 2.071 1.00 0.00 C ATOM 463 O ARG A 28 -11.554 -6.942 1.184 1.00 0.00 O ATOM 464 CB ARG A 28 -12.710 -9.111 3.407 1.00 0.00 C ATOM 465 CG ARG A 28 -12.070 -9.963 2.306 1.00 0.00 C ATOM 466 CD ARG A 28 -12.629 -11.387 2.387 1.00 0.00 C ATOM 467 NE ARG A 28 -14.066 -11.383 2.143 1.00 0.00 N ATOM 468 CZ ARG A 28 -14.860 -12.369 2.565 1.00 0.00 C ATOM 469 NH1 ARG A 28 -14.359 -13.381 3.218 1.00 0.00 N ATOM 470 NH2 ARG A 28 -16.136 -12.319 2.316 1.00 0.00 N ATOM 0 H ARG A 28 -13.401 -7.434 5.036 1.00 0.00 H new ATOM 0 HA ARG A 28 -11.042 -7.740 3.522 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -12.541 -9.576 4.378 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -13.789 -9.066 3.259 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -12.279 -9.532 1.327 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -10.986 -9.977 2.423 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -12.131 -12.022 1.654 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -12.422 -11.811 3.370 1.00 0.00 H new ATOM 0 HE ARG A 28 -14.478 -10.601 1.633 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -13.358 -13.420 3.407 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -14.969 -14.133 3.539 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -16.524 -11.529 1.801 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -16.748 -13.070 2.636 1.00 0.00 H new ATOM 484 N GLN A 29 -13.639 -6.530 1.921 1.00 0.00 N ATOM 485 CA GLN A 29 -14.064 -5.889 0.686 1.00 0.00 C ATOM 486 C GLN A 29 -13.139 -4.738 0.345 1.00 0.00 C ATOM 487 O GLN A 29 -12.769 -4.538 -0.817 1.00 0.00 O ATOM 488 CB GLN A 29 -15.515 -5.394 0.822 1.00 0.00 C ATOM 489 CG GLN A 29 -15.615 -4.319 1.917 1.00 0.00 C ATOM 490 CD GLN A 29 -17.077 -3.977 2.189 1.00 0.00 C ATOM 491 OE1 GLN A 29 -17.951 -4.280 1.372 1.00 0.00 O ATOM 492 NE2 GLN A 29 -17.400 -3.372 3.286 1.00 0.00 N ATOM 0 H GLN A 29 -14.359 -6.574 2.642 1.00 0.00 H new ATOM 0 HA GLN A 29 -14.018 -6.617 -0.124 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -15.857 -4.986 -0.129 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -16.170 -6.231 1.064 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.141 -4.676 2.832 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.076 -3.423 1.608 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.678 -3.121 3.962 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -18.376 -3.146 3.475 1.00 0.00 H new ATOM 501 N THR A 30 -12.780 -3.983 1.361 1.00 0.00 N ATOM 502 CA THR A 30 -11.913 -2.848 1.195 1.00 0.00 C ATOM 503 C THR A 30 -10.527 -3.286 0.719 1.00 0.00 C ATOM 504 O THR A 30 -9.992 -2.739 -0.247 1.00 0.00 O ATOM 505 CB THR A 30 -11.817 -2.096 2.527 1.00 0.00 C ATOM 506 OG1 THR A 30 -13.131 -1.948 3.063 1.00 0.00 O ATOM 507 CG2 THR A 30 -11.210 -0.709 2.299 1.00 0.00 C ATOM 0 H THR A 30 -13.083 -4.143 2.322 1.00 0.00 H new ATOM 0 HA THR A 30 -12.327 -2.187 0.434 1.00 0.00 H new ATOM 0 HB THR A 30 -11.185 -2.654 3.218 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.198 -2.443 3.906 1.00 0.00 H new ATOM 0 HG21 THR A 30 -11.145 -0.180 3.250 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.212 -0.814 1.873 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.840 -0.144 1.612 1.00 0.00 H new ATOM 515 N ILE A 31 -9.952 -4.280 1.392 1.00 0.00 N ATOM 516 CA ILE A 31 -8.606 -4.732 1.051 1.00 0.00 C ATOM 517 C ILE A 31 -8.568 -5.311 -0.354 1.00 0.00 C ATOM 518 O ILE A 31 -7.692 -4.965 -1.155 1.00 0.00 O ATOM 519 CB ILE A 31 -8.103 -5.767 2.075 1.00 0.00 C ATOM 520 CG1 ILE A 31 -7.942 -5.095 3.445 1.00 0.00 C ATOM 521 CG2 ILE A 31 -6.739 -6.320 1.633 1.00 0.00 C ATOM 522 CD1 ILE A 31 -6.902 -3.967 3.363 1.00 0.00 C ATOM 0 H ILE A 31 -10.389 -4.781 2.165 1.00 0.00 H new ATOM 0 HA ILE A 31 -7.943 -3.868 1.081 1.00 0.00 H new ATOM 0 HB ILE A 31 -8.825 -6.581 2.140 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -8.900 -4.693 3.776 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.632 -5.832 4.186 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -6.389 -7.051 2.362 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.839 -6.798 0.658 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.020 -5.503 1.565 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -6.796 -3.498 4.341 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -5.942 -4.379 3.053 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -7.229 -3.223 2.637 1.00 0.00 H new ATOM 534 N ASN A 32 -9.553 -6.128 -0.688 1.00 0.00 N ATOM 535 CA ASN A 32 -9.592 -6.697 -2.023 1.00 0.00 C ATOM 536 C ASN A 32 -10.035 -5.664 -3.035 1.00 0.00 C ATOM 537 O ASN A 32 -9.957 -5.894 -4.234 1.00 0.00 O ATOM 538 CB ASN A 32 -10.453 -7.971 -2.096 1.00 0.00 C ATOM 539 CG ASN A 32 -11.924 -7.647 -2.319 1.00 0.00 C ATOM 540 OD1 ASN A 32 -12.305 -7.160 -3.388 1.00 0.00 O ATOM 541 ND2 ASN A 32 -12.779 -7.894 -1.380 1.00 0.00 N ATOM 0 H ASN A 32 -10.317 -6.406 -0.072 1.00 0.00 H new ATOM 0 HA ASN A 32 -8.576 -7.002 -2.273 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.094 -8.607 -2.906 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -10.342 -8.538 -1.172 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -13.767 -7.687 -1.523 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -12.465 -8.296 -0.497 1.00 0.00 H new ATOM 548 N GLY A 33 -10.443 -4.499 -2.549 1.00 0.00 N ATOM 549 CA GLY A 33 -10.762 -3.370 -3.419 1.00 0.00 C ATOM 550 C GLY A 33 -9.484 -2.640 -3.793 1.00 0.00 C ATOM 551 O GLY A 33 -9.302 -2.182 -4.930 1.00 0.00 O ATOM 0 H GLY A 33 -10.562 -4.309 -1.554 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.268 -3.722 -4.318 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -11.447 -2.690 -2.913 1.00 0.00 H new ATOM 555 N ILE A 34 -8.589 -2.559 -2.825 1.00 0.00 N ATOM 556 CA ILE A 34 -7.322 -1.874 -2.984 1.00 0.00 C ATOM 557 C ILE A 34 -6.492 -2.535 -4.066 1.00 0.00 C ATOM 558 O ILE A 34 -5.888 -1.854 -4.904 1.00 0.00 O ATOM 559 CB ILE A 34 -6.564 -1.870 -1.641 1.00 0.00 C ATOM 560 CG1 ILE A 34 -7.309 -0.988 -0.634 1.00 0.00 C ATOM 561 CG2 ILE A 34 -5.146 -1.320 -1.823 1.00 0.00 C ATOM 562 CD1 ILE A 34 -6.697 -1.163 0.756 1.00 0.00 C ATOM 0 H ILE A 34 -8.723 -2.970 -1.901 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.509 -0.844 -3.287 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.507 -2.895 -1.275 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.251 0.057 -0.939 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.365 -1.256 -0.613 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.628 -1.325 -0.864 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.602 -1.943 -2.533 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.198 -0.299 -2.202 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -7.229 -0.534 1.470 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.778 -2.206 1.061 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.647 -0.873 0.730 1.00 0.00 H new ATOM 574 N GLU A 35 -6.469 -3.856 -4.068 1.00 0.00 N ATOM 575 CA GLU A 35 -5.694 -4.571 -5.048 1.00 0.00 C ATOM 576 C GLU A 35 -6.216 -4.267 -6.444 1.00 0.00 C ATOM 577 O GLU A 35 -5.442 -4.236 -7.413 1.00 0.00 O ATOM 578 CB GLU A 35 -5.706 -6.080 -4.760 1.00 0.00 C ATOM 579 CG GLU A 35 -7.115 -6.622 -4.964 1.00 0.00 C ATOM 580 CD GLU A 35 -7.165 -8.121 -4.742 1.00 0.00 C ATOM 581 OE1 GLU A 35 -6.534 -8.591 -3.823 1.00 0.00 O ATOM 582 OE2 GLU A 35 -7.832 -8.786 -5.514 1.00 0.00 O ATOM 0 H GLU A 35 -6.975 -4.445 -3.406 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.658 -4.238 -4.990 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.008 -6.593 -5.421 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.376 -6.269 -3.739 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.801 -6.127 -4.276 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.454 -6.390 -5.974 1.00 0.00 H new ATOM 589 N LYS A 36 -7.534 -4.054 -6.554 1.00 0.00 N ATOM 590 CA LYS A 36 -8.131 -3.755 -7.848 1.00 0.00 C ATOM 591 C LYS A 36 -7.569 -2.438 -8.341 1.00 0.00 C ATOM 592 O LYS A 36 -7.057 -2.336 -9.465 1.00 0.00 O ATOM 593 CB LYS A 36 -9.654 -3.570 -7.717 1.00 0.00 C ATOM 594 CG LYS A 36 -10.278 -4.693 -6.892 1.00 0.00 C ATOM 595 CD LYS A 36 -9.803 -6.056 -7.395 1.00 0.00 C ATOM 596 CE LYS A 36 -10.792 -7.151 -6.981 1.00 0.00 C ATOM 597 NZ LYS A 36 -11.560 -6.707 -5.789 1.00 0.00 N ATOM 0 H LYS A 36 -8.191 -4.084 -5.774 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.913 -4.578 -8.528 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.867 -2.609 -7.248 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.107 -3.549 -8.708 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.010 -4.573 -5.842 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -11.365 -4.635 -6.952 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.705 -6.037 -8.480 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.815 -6.277 -6.990 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.473 -7.370 -7.804 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.256 -8.073 -6.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -11.896 -7.539 -5.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.947 -6.134 -5.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -12.375 -6.137 -6.094 1.00 0.00 H new ATOM 611 N ASN A 37 -7.601 -1.447 -7.446 1.00 0.00 N ATOM 612 CA ASN A 37 -7.088 -0.100 -7.716 1.00 0.00 C ATOM 613 C ASN A 37 -7.464 0.872 -6.595 1.00 0.00 C ATOM 614 O ASN A 37 -7.108 2.048 -6.653 1.00 0.00 O ATOM 615 CB ASN A 37 -7.636 0.440 -9.051 1.00 0.00 C ATOM 616 CG ASN A 37 -8.943 1.189 -8.822 1.00 0.00 C ATOM 617 OD1 ASN A 37 -8.979 2.414 -8.921 1.00 0.00 O ATOM 618 ND2 ASN A 37 -10.012 0.529 -8.520 1.00 0.00 N ATOM 0 H ASN A 37 -7.986 -1.557 -6.508 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.002 -0.176 -7.773 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.904 1.104 -9.510 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -7.798 -0.384 -9.745 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -10.890 1.024 -8.363 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.978 -0.487 -8.439 1.00 0.00 H new ATOM 625 N LYS A 38 -8.269 0.413 -5.637 1.00 0.00 N ATOM 626 CA LYS A 38 -8.775 1.302 -4.591 1.00 0.00 C ATOM 627 C LYS A 38 -7.610 1.936 -3.837 1.00 0.00 C ATOM 628 O LYS A 38 -6.524 1.353 -3.762 1.00 0.00 O ATOM 629 CB LYS A 38 -9.697 0.540 -3.617 1.00 0.00 C ATOM 630 CG LYS A 38 -10.707 1.504 -2.967 1.00 0.00 C ATOM 631 CD LYS A 38 -11.902 1.705 -3.913 1.00 0.00 C ATOM 632 CE LYS A 38 -13.019 2.493 -3.205 1.00 0.00 C ATOM 633 NZ LYS A 38 -13.363 1.834 -1.914 1.00 0.00 N ATOM 0 H LYS A 38 -8.581 -0.555 -5.563 1.00 0.00 H new ATOM 0 HA LYS A 38 -9.363 2.090 -5.063 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.229 -0.248 -4.151 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.099 0.055 -2.845 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.048 1.102 -2.013 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.230 2.461 -2.757 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.581 2.240 -4.807 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.282 0.737 -4.240 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.695 3.518 -3.025 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.901 2.545 -3.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.397 1.798 -1.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -12.981 0.867 -1.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -12.952 2.376 -1.127 1.00 0.00 H new ATOM 647 N TYR A 39 -7.823 3.164 -3.364 1.00 0.00 N ATOM 648 CA TYR A 39 -6.788 3.945 -2.673 1.00 0.00 C ATOM 649 C TYR A 39 -5.823 3.048 -1.915 1.00 0.00 C ATOM 650 O TYR A 39 -6.240 2.160 -1.169 1.00 0.00 O ATOM 651 CB TYR A 39 -7.431 4.949 -1.694 1.00 0.00 C ATOM 652 CG TYR A 39 -8.786 4.441 -1.239 1.00 0.00 C ATOM 653 CD1 TYR A 39 -8.874 3.377 -0.330 1.00 0.00 C ATOM 654 CD2 TYR A 39 -9.951 5.030 -1.736 1.00 0.00 C ATOM 655 CE1 TYR A 39 -10.128 2.911 0.076 1.00 0.00 C ATOM 656 CE2 TYR A 39 -11.199 4.566 -1.327 1.00 0.00 C ATOM 657 CZ TYR A 39 -11.288 3.506 -0.423 1.00 0.00 C ATOM 658 OH TYR A 39 -12.526 3.039 -0.033 1.00 0.00 O ATOM 0 H TYR A 39 -8.717 3.648 -3.447 1.00 0.00 H new ATOM 0 HA TYR A 39 -6.228 4.487 -3.436 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -6.781 5.095 -0.832 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -7.542 5.920 -2.177 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -7.975 2.919 0.056 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -9.884 5.847 -2.439 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -10.199 2.091 0.775 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -12.098 5.026 -1.709 1.00 0.00 H new ATOM 0 HH TYR A 39 -13.214 3.692 -0.279 1.00 0.00 H new ATOM 668 N ASN A 40 -4.532 3.311 -2.071 1.00 0.00 N ATOM 669 CA ASN A 40 -3.526 2.529 -1.366 1.00 0.00 C ATOM 670 C ASN A 40 -3.670 2.694 0.135 1.00 0.00 C ATOM 671 O ASN A 40 -4.055 3.763 0.619 1.00 0.00 O ATOM 672 CB ASN A 40 -2.100 2.892 -1.802 1.00 0.00 C ATOM 673 CG ASN A 40 -1.704 4.264 -1.279 1.00 0.00 C ATOM 674 OD1 ASN A 40 -1.158 4.380 -0.186 1.00 0.00 O ATOM 675 ND2 ASN A 40 -1.944 5.318 -1.993 1.00 0.00 N ATOM 0 H ASN A 40 -4.161 4.048 -2.670 1.00 0.00 H new ATOM 0 HA ASN A 40 -3.696 1.485 -1.628 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.401 2.142 -1.432 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -2.034 2.880 -2.890 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -1.679 6.240 -1.646 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -2.398 5.226 -2.902 1.00 0.00 H new ATOM 682 N PRO A 41 -3.382 1.655 0.869 1.00 0.00 N ATOM 683 CA PRO A 41 -3.486 1.651 2.352 1.00 0.00 C ATOM 684 C PRO A 41 -2.401 2.496 2.994 1.00 0.00 C ATOM 685 O PRO A 41 -1.304 2.642 2.444 1.00 0.00 O ATOM 686 CB PRO A 41 -3.316 0.175 2.714 1.00 0.00 C ATOM 687 CG PRO A 41 -2.460 -0.371 1.624 1.00 0.00 C ATOM 688 CD PRO A 41 -2.908 0.358 0.356 1.00 0.00 C ATOM 0 HA PRO A 41 -4.425 2.076 2.706 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.844 0.056 3.689 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -4.277 -0.337 2.760 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -1.404 -0.194 1.827 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -2.589 -1.449 1.525 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -2.087 0.479 -0.351 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.699 -0.184 -0.163 1.00 0.00 H new ATOM 696 N SER A 42 -2.686 3.005 4.170 1.00 0.00 N ATOM 697 CA SER A 42 -1.717 3.783 4.905 1.00 0.00 C ATOM 698 C SER A 42 -0.535 2.893 5.280 1.00 0.00 C ATOM 699 O SER A 42 -0.636 1.661 5.221 1.00 0.00 O ATOM 700 CB SER A 42 -2.361 4.353 6.158 1.00 0.00 C ATOM 701 OG SER A 42 -3.690 4.783 5.845 1.00 0.00 O ATOM 0 H SER A 42 -3.585 2.893 4.639 1.00 0.00 H new ATOM 0 HA SER A 42 -1.363 4.607 4.286 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.385 3.599 6.945 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.774 5.190 6.536 1.00 0.00 H new ATOM 0 HG SER A 42 -4.113 5.151 6.649 1.00 0.00 H new ATOM 707 N LEU A 43 0.582 3.498 5.659 1.00 0.00 N ATOM 708 CA LEU A 43 1.771 2.717 5.962 1.00 0.00 C ATOM 709 C LEU A 43 1.527 1.760 7.088 1.00 0.00 C ATOM 710 O LEU A 43 1.911 0.600 7.005 1.00 0.00 O ATOM 711 CB LEU A 43 2.955 3.613 6.313 1.00 0.00 C ATOM 712 CG LEU A 43 3.466 4.313 5.060 1.00 0.00 C ATOM 713 CD1 LEU A 43 4.523 5.334 5.464 1.00 0.00 C ATOM 714 CD2 LEU A 43 4.096 3.268 4.133 1.00 0.00 C ATOM 0 H LEU A 43 0.689 4.507 5.762 1.00 0.00 H new ATOM 0 HA LEU A 43 2.009 2.152 5.061 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.655 4.352 7.056 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.752 3.018 6.759 1.00 0.00 H new ATOM 0 HG LEU A 43 2.647 4.815 4.546 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.897 5.842 4.575 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.082 6.065 6.142 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.347 4.826 5.965 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.466 3.757 3.232 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.924 2.778 4.646 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.347 2.524 3.861 1.00 0.00 H new ATOM 726 N GLN A 44 0.847 2.206 8.122 1.00 0.00 N ATOM 727 CA GLN A 44 0.585 1.319 9.222 1.00 0.00 C ATOM 728 C GLN A 44 -0.186 0.117 8.715 1.00 0.00 C ATOM 729 O GLN A 44 0.169 -1.031 8.993 1.00 0.00 O ATOM 730 CB GLN A 44 -0.248 2.030 10.288 1.00 0.00 C ATOM 731 CG GLN A 44 -0.553 1.073 11.443 1.00 0.00 C ATOM 732 CD GLN A 44 -1.706 1.616 12.253 1.00 0.00 C ATOM 733 OE1 GLN A 44 -1.540 1.963 13.422 1.00 0.00 O ATOM 734 NE2 GLN A 44 -2.868 1.715 11.695 1.00 0.00 N ATOM 0 H GLN A 44 0.477 3.151 8.220 1.00 0.00 H new ATOM 0 HA GLN A 44 1.533 1.005 9.660 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.291 2.901 10.660 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -1.178 2.393 9.851 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.800 0.085 11.055 1.00 0.00 H new ATOM 0 HG3 GLN A 44 0.327 0.956 12.075 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.995 1.425 10.725 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -3.658 2.084 12.224 1.00 0.00 H new ATOM 743 N LEU A 45 -1.214 0.392 7.938 1.00 0.00 N ATOM 744 CA LEU A 45 -2.023 -0.655 7.357 1.00 0.00 C ATOM 745 C LEU A 45 -1.163 -1.499 6.425 1.00 0.00 C ATOM 746 O LEU A 45 -1.138 -2.725 6.529 1.00 0.00 O ATOM 747 CB LEU A 45 -3.201 -0.026 6.588 1.00 0.00 C ATOM 748 CG LEU A 45 -4.373 -1.016 6.444 1.00 0.00 C ATOM 749 CD1 LEU A 45 -3.948 -2.238 5.636 1.00 0.00 C ATOM 750 CD2 LEU A 45 -4.854 -1.458 7.828 1.00 0.00 C ATOM 0 H LEU A 45 -1.508 1.338 7.695 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.422 -1.296 8.143 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.541 0.869 7.109 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.865 0.289 5.600 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.186 -0.514 5.919 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.789 -2.925 5.546 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.628 -1.924 4.643 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.123 -2.740 6.142 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.683 -2.158 7.719 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.036 -1.944 8.359 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.187 -0.587 8.393 1.00 0.00 H new ATOM 762 N ALA A 46 -0.371 -0.830 5.591 1.00 0.00 N ATOM 763 CA ALA A 46 0.527 -1.531 4.684 1.00 0.00 C ATOM 764 C ALA A 46 1.523 -2.372 5.465 1.00 0.00 C ATOM 765 O ALA A 46 1.765 -3.535 5.130 1.00 0.00 O ATOM 766 CB ALA A 46 1.268 -0.539 3.779 1.00 0.00 C ATOM 0 H ALA A 46 -0.334 0.187 5.526 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.072 -2.191 4.056 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.933 -1.084 3.110 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.545 0.027 3.191 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.853 0.147 4.393 1.00 0.00 H new ATOM 772 N LEU A 47 2.041 -1.809 6.549 1.00 0.00 N ATOM 773 CA LEU A 47 2.962 -2.540 7.404 1.00 0.00 C ATOM 774 C LEU A 47 2.263 -3.744 7.989 1.00 0.00 C ATOM 775 O LEU A 47 2.796 -4.854 7.960 1.00 0.00 O ATOM 776 CB LEU A 47 3.515 -1.645 8.522 1.00 0.00 C ATOM 777 CG LEU A 47 4.463 -0.584 7.935 1.00 0.00 C ATOM 778 CD1 LEU A 47 4.836 0.419 9.026 1.00 0.00 C ATOM 779 CD2 LEU A 47 5.742 -1.251 7.419 1.00 0.00 C ATOM 0 H LEU A 47 1.840 -0.857 6.854 1.00 0.00 H new ATOM 0 HA LEU A 47 3.806 -2.871 6.799 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.694 -1.158 9.048 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.047 -2.252 9.254 1.00 0.00 H new ATOM 0 HG LEU A 47 3.961 -0.076 7.112 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.508 1.172 8.614 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.933 0.903 9.399 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.333 -0.102 9.844 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.407 -0.492 7.006 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.242 -1.763 8.241 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.488 -1.973 6.643 1.00 0.00 H new ATOM 791 N LYS A 48 1.012 -3.558 8.401 1.00 0.00 N ATOM 792 CA LYS A 48 0.232 -4.686 8.862 1.00 0.00 C ATOM 793 C LYS A 48 0.035 -5.687 7.742 1.00 0.00 C ATOM 794 O LYS A 48 0.173 -6.897 7.955 1.00 0.00 O ATOM 795 CB LYS A 48 -1.130 -4.249 9.430 1.00 0.00 C ATOM 796 CG LYS A 48 -0.922 -3.522 10.775 1.00 0.00 C ATOM 797 CD LYS A 48 -2.283 -3.109 11.359 1.00 0.00 C ATOM 798 CE LYS A 48 -2.084 -2.472 12.746 1.00 0.00 C ATOM 799 NZ LYS A 48 -3.401 -2.090 13.330 1.00 0.00 N ATOM 0 H LYS A 48 0.532 -2.658 8.423 1.00 0.00 H new ATOM 0 HA LYS A 48 0.790 -5.159 9.670 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.635 -3.590 8.724 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.772 -5.118 9.571 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.399 -4.174 11.474 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.296 -2.642 10.630 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.776 -2.402 10.692 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.934 -3.980 11.439 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.575 -3.173 13.407 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.446 -1.592 12.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.250 -1.471 14.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.964 -1.586 12.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.909 -2.946 13.631 1.00 0.00 H new ATOM 813 N ILE A 49 -0.250 -5.196 6.537 1.00 0.00 N ATOM 814 CA ILE A 49 -0.435 -6.097 5.411 1.00 0.00 C ATOM 815 C ILE A 49 0.855 -6.849 5.158 1.00 0.00 C ATOM 816 O ILE A 49 0.862 -8.073 5.095 1.00 0.00 O ATOM 817 CB ILE A 49 -0.835 -5.319 4.135 1.00 0.00 C ATOM 818 CG1 ILE A 49 -2.202 -4.670 4.328 1.00 0.00 C ATOM 819 CG2 ILE A 49 -0.920 -6.280 2.943 1.00 0.00 C ATOM 820 CD1 ILE A 49 -2.529 -3.787 3.120 1.00 0.00 C ATOM 0 H ILE A 49 -0.355 -4.204 6.322 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.237 -6.794 5.653 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.082 -4.554 3.946 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.966 -5.438 4.447 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.206 -4.072 5.239 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.202 -5.725 2.048 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.050 -6.752 2.787 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.668 -7.046 3.146 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -3.506 -3.325 3.261 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.771 -3.010 3.021 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.543 -4.397 2.217 1.00 0.00 H new ATOM 832 N ALA A 50 1.955 -6.123 5.112 1.00 0.00 N ATOM 833 CA ALA A 50 3.249 -6.747 4.905 1.00 0.00 C ATOM 834 C ALA A 50 3.574 -7.693 6.044 1.00 0.00 C ATOM 835 O ALA A 50 3.962 -8.848 5.821 1.00 0.00 O ATOM 836 CB ALA A 50 4.343 -5.680 4.786 1.00 0.00 C ATOM 0 H ALA A 50 1.980 -5.108 5.214 1.00 0.00 H new ATOM 0 HA ALA A 50 3.207 -7.318 3.977 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.308 -6.164 4.631 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.124 -5.027 3.941 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.376 -5.089 5.701 1.00 0.00 H new ATOM 842 N TYR A 51 3.449 -7.189 7.260 1.00 0.00 N ATOM 843 CA TYR A 51 3.789 -7.955 8.443 1.00 0.00 C ATOM 844 C TYR A 51 2.908 -9.194 8.584 1.00 0.00 C ATOM 845 O TYR A 51 3.414 -10.306 8.760 1.00 0.00 O ATOM 846 CB TYR A 51 3.646 -7.067 9.684 1.00 0.00 C ATOM 847 CG TYR A 51 3.914 -7.868 10.930 1.00 0.00 C ATOM 848 CD1 TYR A 51 5.228 -8.068 11.359 1.00 0.00 C ATOM 849 CD2 TYR A 51 2.852 -8.411 11.655 1.00 0.00 C ATOM 850 CE1 TYR A 51 5.482 -8.807 12.509 1.00 0.00 C ATOM 851 CE2 TYR A 51 3.106 -9.152 12.805 1.00 0.00 C ATOM 852 CZ TYR A 51 4.422 -9.348 13.236 1.00 0.00 C ATOM 853 OH TYR A 51 4.673 -10.078 14.378 1.00 0.00 O ATOM 0 H TYR A 51 3.112 -6.246 7.453 1.00 0.00 H new ATOM 0 HA TYR A 51 4.821 -8.293 8.345 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.342 -6.231 9.624 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.642 -6.644 9.724 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.048 -7.648 10.796 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.836 -8.256 11.324 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.499 -8.962 12.839 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.286 -9.576 13.365 1.00 0.00 H new ATOM 0 HH TYR A 51 3.825 -10.382 14.765 1.00 0.00 H new ATOM 863 N TYR A 52 1.592 -9.003 8.524 1.00 0.00 N ATOM 864 CA TYR A 52 0.668 -10.125 8.664 1.00 0.00 C ATOM 865 C TYR A 52 0.677 -11.033 7.447 1.00 0.00 C ATOM 866 O TYR A 52 0.707 -12.257 7.576 1.00 0.00 O ATOM 867 CB TYR A 52 -0.751 -9.653 8.996 1.00 0.00 C ATOM 868 CG TYR A 52 -0.799 -9.208 10.443 1.00 0.00 C ATOM 869 CD1 TYR A 52 -0.783 -10.166 11.463 1.00 0.00 C ATOM 870 CD2 TYR A 52 -0.852 -7.847 10.767 1.00 0.00 C ATOM 871 CE1 TYR A 52 -0.819 -9.770 12.798 1.00 0.00 C ATOM 872 CE2 TYR A 52 -0.889 -7.450 12.111 1.00 0.00 C ATOM 873 CZ TYR A 52 -0.872 -8.413 13.126 1.00 0.00 C ATOM 874 OH TYR A 52 -0.907 -8.026 14.450 1.00 0.00 O ATOM 0 H TYR A 52 1.147 -8.096 8.382 1.00 0.00 H new ATOM 0 HA TYR A 52 1.024 -10.717 9.507 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.037 -8.831 8.340 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.465 -10.459 8.827 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.743 -11.216 11.214 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.864 -7.104 9.983 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -0.806 -10.514 13.581 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -0.931 -6.401 12.363 1.00 0.00 H new ATOM 0 HH TYR A 52 -0.941 -7.048 14.504 1.00 0.00 H new ATOM 884 N LEU A 53 0.674 -10.436 6.263 1.00 0.00 N ATOM 885 CA LEU A 53 0.732 -11.206 5.027 1.00 0.00 C ATOM 886 C LEU A 53 2.068 -11.928 4.944 1.00 0.00 C ATOM 887 O LEU A 53 2.177 -13.003 4.346 1.00 0.00 O ATOM 888 CB LEU A 53 0.483 -10.316 3.789 1.00 0.00 C ATOM 889 CG LEU A 53 0.042 -11.141 2.556 1.00 0.00 C ATOM 890 CD1 LEU A 53 1.252 -11.489 1.699 1.00 0.00 C ATOM 891 CD2 LEU A 53 -0.682 -12.427 2.970 1.00 0.00 C ATOM 0 H LEU A 53 0.632 -9.425 6.132 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.066 -11.948 5.036 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.283 -9.577 4.023 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.393 -9.766 3.550 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.652 -10.530 1.979 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.931 -12.069 0.834 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.735 -10.572 1.361 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.958 -12.075 2.287 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.977 -12.981 2.079 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.015 -13.041 3.575 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.569 -12.174 3.551 1.00 0.00 H new ATOM 903 N ASN A 54 3.094 -11.299 5.506 1.00 0.00 N ATOM 904 CA ASN A 54 4.455 -11.833 5.511 1.00 0.00 C ATOM 905 C ASN A 54 5.140 -11.570 4.187 1.00 0.00 C ATOM 906 O ASN A 54 5.331 -12.488 3.373 1.00 0.00 O ATOM 907 CB ASN A 54 4.495 -13.345 5.847 1.00 0.00 C ATOM 908 CG ASN A 54 3.737 -13.650 7.130 1.00 0.00 C ATOM 909 OD1 ASN A 54 3.182 -14.745 7.277 1.00 0.00 O ATOM 910 ND2 ASN A 54 3.659 -12.761 8.065 1.00 0.00 N ATOM 0 H ASN A 54 3.006 -10.397 5.975 1.00 0.00 H new ATOM 0 HA ASN A 54 4.996 -11.311 6.301 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.063 -13.914 5.024 1.00 0.00 H new ATOM 0 HB3 ASN A 54 5.531 -13.669 5.949 1.00 0.00 H new ATOM 0 HD21 ASN A 54 3.141 -12.964 8.920 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.115 -11.856 7.948 1.00 0.00 H new ATOM 917 N THR A 55 5.453 -10.309 3.948 1.00 0.00 N ATOM 918 CA THR A 55 6.150 -9.889 2.747 1.00 0.00 C ATOM 919 C THR A 55 6.652 -8.449 2.919 1.00 0.00 C ATOM 920 O THR A 55 6.157 -7.722 3.784 1.00 0.00 O ATOM 921 CB THR A 55 5.248 -10.041 1.500 1.00 0.00 C ATOM 922 OG1 THR A 55 6.036 -10.427 0.372 1.00 0.00 O ATOM 923 CG2 THR A 55 4.510 -8.737 1.202 1.00 0.00 C ATOM 0 H THR A 55 5.229 -9.544 4.585 1.00 0.00 H new ATOM 0 HA THR A 55 7.014 -10.535 2.590 1.00 0.00 H new ATOM 0 HB THR A 55 4.508 -10.815 1.702 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.875 -9.805 -0.368 1.00 0.00 H new ATOM 0 HG21 THR A 55 3.882 -8.868 0.321 1.00 0.00 H new ATOM 0 HG22 THR A 55 3.887 -8.468 2.055 1.00 0.00 H new ATOM 0 HG23 THR A 55 5.234 -7.943 1.017 1.00 0.00 H new ATOM 931 N PRO A 56 7.607 -8.024 2.128 1.00 0.00 N ATOM 932 CA PRO A 56 8.143 -6.627 2.191 1.00 0.00 C ATOM 933 C PRO A 56 7.055 -5.603 1.887 1.00 0.00 C ATOM 934 O PRO A 56 6.171 -5.851 1.065 1.00 0.00 O ATOM 935 CB PRO A 56 9.223 -6.603 1.100 1.00 0.00 C ATOM 936 CG PRO A 56 9.579 -8.039 0.889 1.00 0.00 C ATOM 937 CD PRO A 56 8.284 -8.816 1.092 1.00 0.00 C ATOM 0 HA PRO A 56 8.525 -6.372 3.179 1.00 0.00 H new ATOM 0 HB2 PRO A 56 8.849 -6.148 0.182 1.00 0.00 H new ATOM 0 HB3 PRO A 56 10.090 -6.022 1.414 1.00 0.00 H new ATOM 0 HG2 PRO A 56 9.980 -8.200 -0.111 1.00 0.00 H new ATOM 0 HG3 PRO A 56 10.344 -8.361 1.595 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.697 -8.875 0.176 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.470 -9.839 1.418 1.00 0.00 H new ATOM 945 N LEU A 57 7.143 -4.449 2.522 1.00 0.00 N ATOM 946 CA LEU A 57 6.162 -3.384 2.316 1.00 0.00 C ATOM 947 C LEU A 57 6.162 -2.967 0.851 1.00 0.00 C ATOM 948 O LEU A 57 5.104 -2.851 0.221 1.00 0.00 O ATOM 949 CB LEU A 57 6.541 -2.175 3.201 1.00 0.00 C ATOM 950 CG LEU A 57 5.331 -1.250 3.450 1.00 0.00 C ATOM 951 CD1 LEU A 57 4.751 -0.734 2.131 1.00 0.00 C ATOM 952 CD2 LEU A 57 4.251 -1.994 4.230 1.00 0.00 C ATOM 0 H LEU A 57 7.882 -4.219 3.186 1.00 0.00 H new ATOM 0 HA LEU A 57 5.168 -3.740 2.586 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.930 -2.530 4.155 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.340 -1.609 2.722 1.00 0.00 H new ATOM 0 HG LEU A 57 5.676 -0.396 4.033 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.900 -0.085 2.337 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.514 -0.172 1.593 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.425 -1.577 1.522 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.403 -1.331 4.399 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.924 -2.863 3.660 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.654 -2.320 5.189 1.00 0.00 H new ATOM 964 N GLU A 58 7.353 -2.812 0.302 1.00 0.00 N ATOM 965 CA GLU A 58 7.521 -2.414 -1.081 1.00 0.00 C ATOM 966 C GLU A 58 6.992 -3.470 -2.028 1.00 0.00 C ATOM 967 O GLU A 58 6.529 -3.155 -3.131 1.00 0.00 O ATOM 968 CB GLU A 58 8.985 -2.090 -1.373 1.00 0.00 C ATOM 969 CG GLU A 58 9.351 -0.821 -0.593 1.00 0.00 C ATOM 970 CD GLU A 58 10.802 -0.441 -0.788 1.00 0.00 C ATOM 971 OE1 GLU A 58 11.491 -1.104 -1.532 1.00 0.00 O ATOM 972 OE2 GLU A 58 11.207 0.518 -0.185 1.00 0.00 O ATOM 0 H GLU A 58 8.229 -2.959 0.803 1.00 0.00 H new ATOM 0 HA GLU A 58 6.935 -1.510 -1.245 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.626 -2.919 -1.075 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.136 -1.938 -2.442 1.00 0.00 H new ATOM 0 HG2 GLU A 58 8.713 0.001 -0.917 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.156 -0.977 0.468 1.00 0.00 H new ATOM 979 N ASP A 59 7.072 -4.722 -1.612 1.00 0.00 N ATOM 980 CA ASP A 59 6.601 -5.822 -2.440 1.00 0.00 C ATOM 981 C ASP A 59 5.136 -5.605 -2.751 1.00 0.00 C ATOM 982 O ASP A 59 4.708 -5.730 -3.896 1.00 0.00 O ATOM 983 CB ASP A 59 6.761 -7.158 -1.682 1.00 0.00 C ATOM 984 CG ASP A 59 6.710 -8.362 -2.607 1.00 0.00 C ATOM 985 OD1 ASP A 59 6.873 -8.196 -3.800 1.00 0.00 O ATOM 986 OD2 ASP A 59 6.531 -9.454 -2.099 1.00 0.00 O ATOM 0 H ASP A 59 7.457 -5.003 -0.710 1.00 0.00 H new ATOM 0 HA ASP A 59 7.184 -5.859 -3.360 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.710 -7.156 -1.146 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.972 -7.245 -0.935 1.00 0.00 H new ATOM 991 N ILE A 60 4.384 -5.248 -1.723 1.00 0.00 N ATOM 992 CA ILE A 60 2.946 -5.042 -1.843 1.00 0.00 C ATOM 993 C ILE A 60 2.581 -3.617 -2.272 1.00 0.00 C ATOM 994 O ILE A 60 1.825 -3.431 -3.243 1.00 0.00 O ATOM 995 CB ILE A 60 2.264 -5.415 -0.513 1.00 0.00 C ATOM 996 CG1 ILE A 60 2.917 -4.641 0.643 1.00 0.00 C ATOM 997 CG2 ILE A 60 2.434 -6.907 -0.257 1.00 0.00 C ATOM 998 CD1 ILE A 60 2.203 -4.962 1.951 1.00 0.00 C ATOM 0 H ILE A 60 4.750 -5.093 -0.784 1.00 0.00 H new ATOM 0 HA ILE A 60 2.582 -5.694 -2.637 1.00 0.00 H new ATOM 0 HB ILE A 60 1.205 -5.162 -0.575 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.972 -4.906 0.720 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.871 -3.570 0.447 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.952 -7.172 0.684 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.977 -7.470 -1.070 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.496 -7.148 -0.201 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.671 -4.410 2.766 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.154 -4.675 1.873 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.272 -6.031 2.150 1.00 0.00 H new ATOM 1010 N PHE A 61 3.133 -2.622 -1.587 1.00 0.00 N ATOM 1011 CA PHE A 61 2.869 -1.225 -1.923 1.00 0.00 C ATOM 1012 C PHE A 61 4.180 -0.476 -2.040 1.00 0.00 C ATOM 1013 O PHE A 61 5.016 -0.545 -1.141 1.00 0.00 O ATOM 1014 CB PHE A 61 1.996 -0.567 -0.842 1.00 0.00 C ATOM 1015 CG PHE A 61 0.690 -1.325 -0.709 1.00 0.00 C ATOM 1016 CD1 PHE A 61 -0.368 -1.067 -1.585 1.00 0.00 C ATOM 1017 CD2 PHE A 61 0.546 -2.298 0.286 1.00 0.00 C ATOM 1018 CE1 PHE A 61 -1.567 -1.780 -1.460 1.00 0.00 C ATOM 1019 CE2 PHE A 61 -0.649 -3.011 0.408 1.00 0.00 C ATOM 1020 CZ PHE A 61 -1.707 -2.753 -0.464 1.00 0.00 C ATOM 0 H PHE A 61 3.765 -2.755 -0.797 1.00 0.00 H new ATOM 0 HA PHE A 61 2.337 -1.188 -2.874 1.00 0.00 H new ATOM 0 HB2 PHE A 61 2.524 -0.562 0.112 1.00 0.00 H new ATOM 0 HB3 PHE A 61 1.799 0.473 -1.103 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -0.261 -0.319 -2.357 1.00 0.00 H new ATOM 0 HD2 PHE A 61 1.363 -2.499 0.963 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.386 -1.578 -2.134 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.754 -3.762 1.177 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.632 -3.303 -0.371 1.00 0.00 H new