USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 698 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 TYR OH : rot -4:sc= 0.42 USER MOD Set 1.2: A 55 HIS : no HE2:sc= -0.305 K(o=0.12,f=-1.6) USER MOD Set 2.1: A 53 THR OG1 : rot 143:sc= 0.496 USER MOD Set 2.2: A 62 HIS : no HD1:sc= -1.62! C(o=-1.1!,f=-0.91!) USER MOD Set 3.1: A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 49 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 30 TYR OH : rot 120:sc= -0.813 USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -2.43 K(o=-2.4,f=-14!) USER MOD Single : A 9 ASN : amide:sc= -0.064 X(o=-0.064,f=-0.27) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0405 USER MOD Single : A 21 THR OG1 : rot 79:sc= 0.133 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 35 ASN : amide:sc= -1.88 K(o=-1.9,f=-3.4!) USER MOD Single : A 36 GLN : amide:sc= -0.205 X(o=-0.2,f=-0.032) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot -158:sc= 0.0658 USER MOD Single : A 48 HIS :FLIP no HD1:sc= -3.51 F(o=-4.7!,f=-3.5) USER MOD Single : A 50 SER OG : rot -28:sc= 0.53 USER MOD Single : A 57 ASN : amide:sc= -0.0159 K(o=-0.016,f=-0.85) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.0282 X(o=-0.028,f=-0.28) USER MOD Single : A 70 MET CE :methyl -179:sc= -11.4! (180deg=-11.8!) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.26 K(o=-0.26,f=-2.1!) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.998 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 HIS :FLIP no HE2:sc= -3.73! C(o=-8!,f=-3.7!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 37 N LEU A 3 0.166 -10.848 -4.684 1.00 0.00 N ATOM 38 CA LEU A 3 -0.647 -9.851 -4.000 1.00 0.00 C ATOM 39 C LEU A 3 -1.971 -9.634 -4.724 1.00 0.00 C ATOM 40 O LEU A 3 -2.048 -9.765 -5.947 1.00 0.00 O ATOM 41 CB LEU A 3 0.114 -8.527 -3.883 1.00 0.00 C ATOM 42 CG LEU A 3 0.291 -7.756 -5.193 1.00 0.00 C ATOM 43 CD1 LEU A 3 0.184 -6.257 -4.948 1.00 0.00 C ATOM 44 CD2 LEU A 3 1.628 -8.097 -5.835 1.00 0.00 C ATOM 0 HA LEU A 3 -0.862 -10.223 -2.998 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.410 -7.888 -3.172 1.00 0.00 H new ATOM 0 HB3 LEU A 3 1.100 -8.729 -3.464 1.00 0.00 H new ATOM 0 HG LEU A 3 -0.505 -8.051 -5.877 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.312 -5.724 -5.890 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.796 -6.026 -4.531 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.959 -5.947 -4.247 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.737 -7.540 -6.766 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.437 -7.830 -5.155 1.00 0.00 H new ATOM 0 HD23 LEU A 3 1.669 -9.166 -6.045 1.00 0.00 H new ATOM 56 N ASN A 4 -3.009 -9.303 -3.966 1.00 0.00 N ATOM 57 CA ASN A 4 -4.329 -9.069 -4.537 1.00 0.00 C ATOM 58 C ASN A 4 -5.066 -7.971 -3.780 1.00 0.00 C ATOM 59 O ASN A 4 -4.679 -7.597 -2.672 1.00 0.00 O ATOM 60 CB ASN A 4 -5.151 -10.360 -4.518 1.00 0.00 C ATOM 61 CG ASN A 4 -5.087 -11.105 -5.837 1.00 0.00 C ATOM 62 OD1 ASN A 4 -5.638 -10.660 -6.843 1.00 0.00 O ATOM 63 ND2 ASN A 4 -4.411 -12.248 -5.838 1.00 0.00 N ATOM 0 H ASN A 4 -2.962 -9.191 -2.953 1.00 0.00 H new ATOM 0 HA ASN A 4 -4.197 -8.744 -5.569 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -4.787 -11.007 -3.720 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -6.190 -10.123 -4.288 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -4.333 -12.794 -6.696 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -3.969 -12.580 -4.981 1.00 0.00 H new ATOM 70 N ILE A 5 -6.131 -7.460 -4.384 1.00 0.00 N ATOM 71 CA ILE A 5 -6.930 -6.403 -3.772 1.00 0.00 C ATOM 72 C ILE A 5 -8.411 -6.759 -3.797 1.00 0.00 C ATOM 73 O ILE A 5 -8.865 -7.509 -4.660 1.00 0.00 O ATOM 74 CB ILE A 5 -6.728 -5.043 -4.477 1.00 0.00 C ATOM 75 CG1 ILE A 5 -6.321 -5.243 -5.941 1.00 0.00 C ATOM 76 CG2 ILE A 5 -5.685 -4.216 -3.742 1.00 0.00 C ATOM 77 CD1 ILE A 5 -6.185 -3.948 -6.711 1.00 0.00 C ATOM 0 H ILE A 5 -6.463 -7.761 -5.300 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.590 -6.313 -2.740 1.00 0.00 H new ATOM 0 HB ILE A 5 -7.675 -4.504 -4.459 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.373 -5.779 -5.976 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -7.062 -5.873 -6.433 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -5.554 -3.261 -4.250 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -6.016 -4.040 -2.718 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -4.737 -4.754 -3.730 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -5.895 -4.165 -7.739 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -7.139 -3.420 -6.707 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.423 -3.325 -6.243 1.00 0.00 H new ATOM 89 N THR A 6 -9.163 -6.208 -2.851 1.00 0.00 N ATOM 90 CA THR A 6 -10.596 -6.458 -2.768 1.00 0.00 C ATOM 91 C THR A 6 -11.348 -5.153 -2.541 1.00 0.00 C ATOM 92 O THR A 6 -11.132 -4.468 -1.540 1.00 0.00 O ATOM 93 CB THR A 6 -10.901 -7.443 -1.637 1.00 0.00 C ATOM 94 OG1 THR A 6 -9.776 -8.263 -1.372 1.00 0.00 O ATOM 95 CG2 THR A 6 -12.072 -8.352 -1.936 1.00 0.00 C ATOM 0 H THR A 6 -8.802 -5.584 -2.129 1.00 0.00 H new ATOM 0 HA THR A 6 -10.926 -6.895 -3.711 1.00 0.00 H new ATOM 0 HB THR A 6 -11.153 -6.826 -0.774 1.00 0.00 H new ATOM 0 HG1 THR A 6 -9.989 -8.885 -0.645 1.00 0.00 H new ATOM 0 HG21 THR A 6 -12.234 -9.025 -1.094 1.00 0.00 H new ATOM 0 HG22 THR A 6 -12.967 -7.751 -2.098 1.00 0.00 H new ATOM 0 HG23 THR A 6 -11.860 -8.936 -2.832 1.00 0.00 H new ATOM 103 N GLY A 7 -12.220 -4.805 -3.477 1.00 0.00 N ATOM 104 CA GLY A 7 -12.979 -3.575 -3.359 1.00 0.00 C ATOM 105 C GLY A 7 -14.402 -3.801 -2.890 1.00 0.00 C ATOM 106 O GLY A 7 -15.177 -4.498 -3.545 1.00 0.00 O ATOM 0 H GLY A 7 -12.416 -5.352 -4.316 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.474 -2.908 -2.661 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.996 -3.071 -4.325 1.00 0.00 H new ATOM 110 N ASN A 8 -14.746 -3.203 -1.755 1.00 0.00 N ATOM 111 CA ASN A 8 -16.088 -3.330 -1.196 1.00 0.00 C ATOM 112 C ASN A 8 -16.885 -2.051 -1.429 1.00 0.00 C ATOM 113 O ASN A 8 -16.578 -1.006 -0.857 1.00 0.00 O ATOM 114 CB ASN A 8 -16.025 -3.644 0.302 1.00 0.00 C ATOM 115 CG ASN A 8 -14.965 -2.837 1.029 1.00 0.00 C ATOM 116 OD1 ASN A 8 -14.314 -1.973 0.442 1.00 0.00 O ATOM 117 ND2 ASN A 8 -14.785 -3.118 2.315 1.00 0.00 N ATOM 0 H ASN A 8 -14.113 -2.624 -1.203 1.00 0.00 H new ATOM 0 HA ASN A 8 -16.589 -4.155 -1.702 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -16.998 -3.445 0.751 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -15.823 -4.706 0.437 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -14.085 -2.609 2.855 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -15.347 -3.842 2.762 1.00 0.00 H new ATOM 124 N ASN A 9 -17.904 -2.138 -2.279 1.00 0.00 N ATOM 125 CA ASN A 9 -18.739 -0.984 -2.594 1.00 0.00 C ATOM 126 C ASN A 9 -17.947 0.048 -3.388 1.00 0.00 C ATOM 127 O ASN A 9 -18.164 1.253 -3.252 1.00 0.00 O ATOM 128 CB ASN A 9 -19.287 -0.351 -1.312 1.00 0.00 C ATOM 129 CG ASN A 9 -20.529 0.482 -1.564 1.00 0.00 C ATOM 130 OD1 ASN A 9 -20.449 1.693 -1.766 1.00 0.00 O ATOM 131 ND2 ASN A 9 -21.688 -0.166 -1.552 1.00 0.00 N ATOM 0 H ASN A 9 -18.171 -2.996 -2.762 1.00 0.00 H new ATOM 0 HA ASN A 9 -19.577 -1.326 -3.201 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -19.519 -1.136 -0.593 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -18.517 0.276 -0.862 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -22.558 0.342 -1.714 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -21.708 -1.171 -1.380 1.00 0.00 H new ATOM 138 N VAL A 10 -17.027 -0.434 -4.218 1.00 0.00 N ATOM 139 CA VAL A 10 -16.199 0.441 -5.039 1.00 0.00 C ATOM 140 C VAL A 10 -15.775 -0.255 -6.328 1.00 0.00 C ATOM 141 O VAL A 10 -15.348 -1.410 -6.309 1.00 0.00 O ATOM 142 CB VAL A 10 -14.946 0.905 -4.274 1.00 0.00 C ATOM 143 CG1 VAL A 10 -14.098 -0.288 -3.877 1.00 0.00 C ATOM 144 CG2 VAL A 10 -14.140 1.891 -5.110 1.00 0.00 C ATOM 0 H VAL A 10 -16.836 -1.429 -4.339 1.00 0.00 H new ATOM 0 HA VAL A 10 -16.804 1.313 -5.287 1.00 0.00 H new ATOM 0 HB VAL A 10 -15.264 1.416 -3.365 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -13.216 0.056 -3.337 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -14.680 -0.951 -3.237 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -13.788 -0.828 -4.772 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -13.259 2.207 -4.551 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -13.829 1.412 -6.038 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -14.755 2.761 -5.340 1.00 0.00 H new ATOM 154 N GLU A 11 -15.892 0.454 -7.446 1.00 0.00 N ATOM 155 CA GLU A 11 -15.517 -0.101 -8.742 1.00 0.00 C ATOM 156 C GLU A 11 -14.003 -0.078 -8.927 1.00 0.00 C ATOM 157 O GLU A 11 -13.386 0.986 -8.954 1.00 0.00 O ATOM 158 CB GLU A 11 -16.194 0.682 -9.872 1.00 0.00 C ATOM 159 CG GLU A 11 -16.810 -0.204 -10.941 1.00 0.00 C ATOM 160 CD GLU A 11 -18.325 -0.237 -10.870 1.00 0.00 C ATOM 161 OE1 GLU A 11 -18.877 0.112 -9.805 1.00 0.00 O ATOM 162 OE2 GLU A 11 -18.959 -0.611 -11.879 1.00 0.00 O ATOM 0 H GLU A 11 -16.242 1.411 -7.481 1.00 0.00 H new ATOM 0 HA GLU A 11 -15.853 -1.137 -8.776 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -16.970 1.318 -9.447 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -15.460 1.341 -10.336 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -16.504 0.153 -11.924 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -16.423 -1.217 -10.835 1.00 0.00 H new ATOM 169 N ILE A 12 -13.410 -1.262 -9.052 1.00 0.00 N ATOM 170 CA ILE A 12 -11.967 -1.379 -9.235 1.00 0.00 C ATOM 171 C ILE A 12 -11.555 -0.946 -10.637 1.00 0.00 C ATOM 172 O ILE A 12 -11.577 -1.744 -11.576 1.00 0.00 O ATOM 173 CB ILE A 12 -11.485 -2.823 -8.986 1.00 0.00 C ATOM 174 CG1 ILE A 12 -11.897 -3.289 -7.588 1.00 0.00 C ATOM 175 CG2 ILE A 12 -9.974 -2.922 -9.161 1.00 0.00 C ATOM 176 CD1 ILE A 12 -11.149 -2.594 -6.470 1.00 0.00 C ATOM 0 H ILE A 12 -13.906 -2.153 -9.030 1.00 0.00 H new ATOM 0 HA ILE A 12 -11.499 -0.719 -8.505 1.00 0.00 H new ATOM 0 HB ILE A 12 -11.957 -3.476 -9.720 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -12.966 -3.119 -7.458 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -11.733 -4.364 -7.510 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -9.653 -3.948 -8.981 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.705 -2.631 -10.176 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -9.481 -2.258 -8.451 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -11.494 -2.976 -5.509 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -10.081 -2.784 -6.574 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -11.333 -1.521 -6.521 1.00 0.00 H new ATOM 188 N THR A 13 -11.175 0.321 -10.774 1.00 0.00 N ATOM 189 CA THR A 13 -10.754 0.859 -12.063 1.00 0.00 C ATOM 190 C THR A 13 -9.245 0.716 -12.238 1.00 0.00 C ATOM 191 O THR A 13 -8.477 1.004 -11.321 1.00 0.00 O ATOM 192 CB THR A 13 -11.157 2.328 -12.182 1.00 0.00 C ATOM 193 OG1 THR A 13 -11.045 2.982 -10.930 1.00 0.00 O ATOM 194 CG2 THR A 13 -12.574 2.520 -12.676 1.00 0.00 C ATOM 0 H THR A 13 -11.150 0.994 -10.008 1.00 0.00 H new ATOM 0 HA THR A 13 -11.251 0.291 -12.850 1.00 0.00 H new ATOM 0 HB THR A 13 -10.473 2.758 -12.914 1.00 0.00 H new ATOM 0 HG1 THR A 13 -11.306 3.922 -11.027 1.00 0.00 H new ATOM 0 HG21 THR A 13 -12.797 3.585 -12.738 1.00 0.00 H new ATOM 0 HG22 THR A 13 -12.679 2.069 -13.663 1.00 0.00 H new ATOM 0 HG23 THR A 13 -13.268 2.044 -11.984 1.00 0.00 H new ATOM 202 N GLU A 14 -8.832 0.257 -13.419 1.00 0.00 N ATOM 203 CA GLU A 14 -7.415 0.056 -13.731 1.00 0.00 C ATOM 204 C GLU A 14 -6.532 1.144 -13.119 1.00 0.00 C ATOM 205 O GLU A 14 -5.408 0.874 -12.697 1.00 0.00 O ATOM 206 CB GLU A 14 -7.212 0.019 -15.247 1.00 0.00 C ATOM 207 CG GLU A 14 -7.780 1.230 -15.968 1.00 0.00 C ATOM 208 CD GLU A 14 -7.720 1.092 -17.476 1.00 0.00 C ATOM 209 OE1 GLU A 14 -8.583 0.390 -18.044 1.00 0.00 O ATOM 210 OE2 GLU A 14 -6.808 1.685 -18.091 1.00 0.00 O ATOM 0 H GLU A 14 -9.464 0.015 -14.182 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.118 -0.897 -13.294 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.146 -0.053 -15.460 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.678 -0.882 -15.645 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.815 1.378 -15.661 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.228 2.120 -15.666 1.00 0.00 H new ATOM 217 N ALA A 15 -7.042 2.370 -13.073 1.00 0.00 N ATOM 218 CA ALA A 15 -6.288 3.485 -12.512 1.00 0.00 C ATOM 219 C ALA A 15 -6.103 3.323 -11.007 1.00 0.00 C ATOM 220 O ALA A 15 -5.000 3.489 -10.487 1.00 0.00 O ATOM 221 CB ALA A 15 -6.987 4.801 -12.821 1.00 0.00 C ATOM 0 H ALA A 15 -7.971 2.616 -13.416 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.300 3.492 -12.973 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.414 5.626 -12.397 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -7.061 4.929 -13.901 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -7.987 4.793 -12.387 1.00 0.00 H new ATOM 227 N LEU A 16 -7.190 2.998 -10.314 1.00 0.00 N ATOM 228 CA LEU A 16 -7.147 2.812 -8.868 1.00 0.00 C ATOM 229 C LEU A 16 -6.169 1.705 -8.489 1.00 0.00 C ATOM 230 O LEU A 16 -5.233 1.925 -7.720 1.00 0.00 O ATOM 231 CB LEU A 16 -8.542 2.482 -8.334 1.00 0.00 C ATOM 232 CG LEU A 16 -8.874 3.090 -6.969 1.00 0.00 C ATOM 233 CD1 LEU A 16 -8.005 2.474 -5.885 1.00 0.00 C ATOM 234 CD2 LEU A 16 -8.697 4.601 -7.004 1.00 0.00 C ATOM 0 H LEU A 16 -8.111 2.858 -10.730 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.804 3.743 -8.418 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.282 2.825 -9.057 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -8.641 1.399 -8.266 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.916 2.871 -6.737 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -8.255 2.919 -4.922 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.181 1.399 -5.845 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.955 2.662 -6.110 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -8.937 5.018 -6.026 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.664 4.841 -7.257 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.363 5.028 -7.754 1.00 0.00 H new ATOM 246 N ARG A 17 -6.393 0.512 -9.033 1.00 0.00 N ATOM 247 CA ARG A 17 -5.531 -0.631 -8.751 1.00 0.00 C ATOM 248 C ARG A 17 -4.076 -0.310 -9.083 1.00 0.00 C ATOM 249 O ARG A 17 -3.167 -0.655 -8.328 1.00 0.00 O ATOM 250 CB ARG A 17 -5.992 -1.858 -9.543 1.00 0.00 C ATOM 251 CG ARG A 17 -5.835 -1.712 -11.048 1.00 0.00 C ATOM 252 CD ARG A 17 -6.222 -2.992 -11.774 1.00 0.00 C ATOM 253 NE ARG A 17 -5.051 -3.754 -12.203 1.00 0.00 N ATOM 254 CZ ARG A 17 -4.332 -3.461 -13.284 1.00 0.00 C ATOM 255 NH1 ARG A 17 -4.658 -2.424 -14.046 1.00 0.00 N ATOM 256 NH2 ARG A 17 -3.283 -4.206 -13.604 1.00 0.00 N ATOM 0 H ARG A 17 -7.163 0.312 -9.671 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.601 -0.852 -7.686 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -5.425 -2.727 -9.211 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.039 -2.054 -9.314 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -6.456 -0.889 -11.402 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -4.802 -1.456 -11.284 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -6.836 -3.609 -11.118 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -6.832 -2.746 -12.643 1.00 0.00 H new ATOM 0 HE ARG A 17 -4.768 -4.557 -11.641 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -5.463 -1.847 -13.804 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -4.103 -2.205 -14.873 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.027 -5.003 -13.022 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -2.732 -3.982 -14.432 1.00 0.00 H new ATOM 270 N GLU A 18 -3.864 0.353 -10.214 1.00 0.00 N ATOM 271 CA GLU A 18 -2.520 0.724 -10.644 1.00 0.00 C ATOM 272 C GLU A 18 -1.836 1.595 -9.597 1.00 0.00 C ATOM 273 O GLU A 18 -0.669 1.386 -9.265 1.00 0.00 O ATOM 274 CB GLU A 18 -2.576 1.461 -11.983 1.00 0.00 C ATOM 275 CG GLU A 18 -2.506 0.540 -13.189 1.00 0.00 C ATOM 276 CD GLU A 18 -1.168 0.610 -13.901 1.00 0.00 C ATOM 277 OE1 GLU A 18 -0.133 0.384 -13.241 1.00 0.00 O ATOM 278 OE2 GLU A 18 -1.158 0.891 -15.118 1.00 0.00 O ATOM 0 H GLU A 18 -4.606 0.645 -10.850 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.938 -0.190 -10.765 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.499 2.039 -12.031 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.751 2.172 -12.031 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.690 -0.486 -12.869 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.300 0.803 -13.888 1.00 0.00 H new ATOM 285 N PHE A 19 -2.570 2.576 -9.079 1.00 0.00 N ATOM 286 CA PHE A 19 -2.034 3.483 -8.068 1.00 0.00 C ATOM 287 C PHE A 19 -1.542 2.709 -6.848 1.00 0.00 C ATOM 288 O PHE A 19 -0.460 2.980 -6.326 1.00 0.00 O ATOM 289 CB PHE A 19 -3.099 4.497 -7.648 1.00 0.00 C ATOM 290 CG PHE A 19 -2.590 5.541 -6.697 1.00 0.00 C ATOM 291 CD1 PHE A 19 -1.960 6.681 -7.171 1.00 0.00 C ATOM 292 CD2 PHE A 19 -2.744 5.384 -5.329 1.00 0.00 C ATOM 293 CE1 PHE A 19 -1.492 7.644 -6.298 1.00 0.00 C ATOM 294 CE2 PHE A 19 -2.276 6.342 -4.450 1.00 0.00 C ATOM 295 CZ PHE A 19 -1.650 7.476 -4.936 1.00 0.00 C ATOM 0 H PHE A 19 -3.537 2.763 -9.343 1.00 0.00 H new ATOM 0 HA PHE A 19 -1.188 4.014 -8.504 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.492 4.988 -8.538 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.930 3.967 -7.183 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -1.834 6.818 -8.235 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.236 4.502 -4.945 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -1.003 8.528 -6.680 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -2.399 6.206 -3.386 1.00 0.00 H new ATOM 0 HZ PHE A 19 -1.286 8.228 -4.252 1.00 0.00 H new ATOM 305 N VAL A 20 -2.342 1.747 -6.401 1.00 0.00 N ATOM 306 CA VAL A 20 -1.985 0.937 -5.243 1.00 0.00 C ATOM 307 C VAL A 20 -0.701 0.157 -5.502 1.00 0.00 C ATOM 308 O VAL A 20 0.247 0.223 -4.717 1.00 0.00 O ATOM 309 CB VAL A 20 -3.109 -0.051 -4.879 1.00 0.00 C ATOM 310 CG1 VAL A 20 -2.813 -0.730 -3.550 1.00 0.00 C ATOM 311 CG2 VAL A 20 -4.452 0.661 -4.836 1.00 0.00 C ATOM 0 H VAL A 20 -3.240 1.510 -6.822 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.833 1.622 -4.409 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.157 -0.820 -5.650 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.618 -1.424 -3.309 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.872 -1.276 -3.622 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.737 0.023 -2.766 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.234 -0.053 -4.577 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.421 1.452 -4.087 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.665 1.095 -5.813 1.00 0.00 H new ATOM 321 N THR A 21 -0.676 -0.582 -6.605 1.00 0.00 N ATOM 322 CA THR A 21 0.492 -1.375 -6.970 1.00 0.00 C ATOM 323 C THR A 21 1.699 -0.478 -7.225 1.00 0.00 C ATOM 324 O THR A 21 2.841 -0.880 -7.001 1.00 0.00 O ATOM 325 CB THR A 21 0.195 -2.215 -8.214 1.00 0.00 C ATOM 326 OG1 THR A 21 -1.009 -2.944 -8.051 1.00 0.00 O ATOM 327 CG2 THR A 21 1.291 -3.207 -8.542 1.00 0.00 C ATOM 0 H THR A 21 -1.452 -0.649 -7.263 1.00 0.00 H new ATOM 0 HA THR A 21 0.724 -2.040 -6.138 1.00 0.00 H new ATOM 0 HB THR A 21 0.117 -1.500 -9.033 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.774 -2.352 -8.211 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.017 -3.770 -9.434 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.224 -2.672 -8.722 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.422 -3.894 -7.706 1.00 0.00 H new ATOM 335 N ALA A 22 1.439 0.739 -7.694 1.00 0.00 N ATOM 336 CA ALA A 22 2.505 1.693 -7.978 1.00 0.00 C ATOM 337 C ALA A 22 3.339 1.969 -6.731 1.00 0.00 C ATOM 338 O ALA A 22 4.569 1.971 -6.784 1.00 0.00 O ATOM 339 CB ALA A 22 1.923 2.989 -8.524 1.00 0.00 C ATOM 0 H ALA A 22 0.500 1.087 -7.885 1.00 0.00 H new ATOM 0 HA ALA A 22 3.159 1.256 -8.733 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.730 3.691 -8.731 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.376 2.783 -9.444 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.245 3.422 -7.788 1.00 0.00 H new ATOM 345 N LYS A 23 2.662 2.199 -5.610 1.00 0.00 N ATOM 346 CA LYS A 23 3.343 2.472 -4.350 1.00 0.00 C ATOM 347 C LYS A 23 4.091 1.236 -3.865 1.00 0.00 C ATOM 348 O LYS A 23 5.281 1.299 -3.549 1.00 0.00 O ATOM 349 CB LYS A 23 2.336 2.925 -3.290 1.00 0.00 C ATOM 350 CG LYS A 23 1.428 4.051 -3.756 1.00 0.00 C ATOM 351 CD LYS A 23 2.001 5.413 -3.399 1.00 0.00 C ATOM 352 CE LYS A 23 1.540 6.485 -4.374 1.00 0.00 C ATOM 353 NZ LYS A 23 2.605 7.488 -4.643 1.00 0.00 N ATOM 0 H LYS A 23 1.644 2.202 -5.549 1.00 0.00 H new ATOM 0 HA LYS A 23 4.065 3.271 -4.517 1.00 0.00 H new ATOM 0 HB2 LYS A 23 1.723 2.073 -2.996 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.878 3.250 -2.402 1.00 0.00 H new ATOM 0 HG2 LYS A 23 1.289 3.985 -4.835 1.00 0.00 H new ATOM 0 HG3 LYS A 23 0.444 3.938 -3.301 1.00 0.00 H new ATOM 0 HD2 LYS A 23 1.696 5.684 -2.388 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.090 5.362 -3.400 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.237 6.017 -5.311 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.661 6.988 -3.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.250 8.201 -5.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 2.876 7.953 -3.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 3.435 7.012 -5.052 1.00 0.00 H new ATOM 367 N PHE A 24 3.389 0.106 -3.814 1.00 0.00 N ATOM 368 CA PHE A 24 3.990 -1.147 -3.373 1.00 0.00 C ATOM 369 C PHE A 24 5.274 -1.427 -4.146 1.00 0.00 C ATOM 370 O PHE A 24 6.302 -1.768 -3.562 1.00 0.00 O ATOM 371 CB PHE A 24 3.003 -2.303 -3.550 1.00 0.00 C ATOM 372 CG PHE A 24 2.284 -2.669 -2.284 1.00 0.00 C ATOM 373 CD1 PHE A 24 2.886 -3.484 -1.340 1.00 0.00 C ATOM 374 CD2 PHE A 24 1.005 -2.196 -2.036 1.00 0.00 C ATOM 375 CE1 PHE A 24 2.229 -3.821 -0.173 1.00 0.00 C ATOM 376 CE2 PHE A 24 0.341 -2.529 -0.871 1.00 0.00 C ATOM 377 CZ PHE A 24 0.954 -3.342 0.062 1.00 0.00 C ATOM 0 H PHE A 24 2.405 0.034 -4.073 1.00 0.00 H new ATOM 0 HA PHE A 24 4.236 -1.056 -2.315 1.00 0.00 H new ATOM 0 HB2 PHE A 24 2.270 -2.033 -4.311 1.00 0.00 H new ATOM 0 HB3 PHE A 24 3.540 -3.176 -3.920 1.00 0.00 H new ATOM 0 HD1 PHE A 24 3.882 -3.861 -1.519 1.00 0.00 H new ATOM 0 HD2 PHE A 24 0.522 -1.559 -2.762 1.00 0.00 H new ATOM 0 HE1 PHE A 24 2.711 -4.458 0.555 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -0.656 -2.154 -0.690 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.438 -3.603 0.974 1.00 0.00 H new ATOM 387 N ALA A 25 5.212 -1.268 -5.465 1.00 0.00 N ATOM 388 CA ALA A 25 6.374 -1.493 -6.317 1.00 0.00 C ATOM 389 C ALA A 25 7.571 -0.697 -5.813 1.00 0.00 C ATOM 390 O ALA A 25 8.654 -1.246 -5.610 1.00 0.00 O ATOM 391 CB ALA A 25 6.055 -1.120 -7.757 1.00 0.00 C ATOM 0 H ALA A 25 4.370 -0.984 -5.966 1.00 0.00 H new ATOM 0 HA ALA A 25 6.628 -2.552 -6.281 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.932 -1.293 -8.381 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.227 -1.732 -8.116 1.00 0.00 H new ATOM 0 HB3 ALA A 25 5.777 -0.067 -7.807 1.00 0.00 H new ATOM 397 N LYS A 26 7.369 0.603 -5.608 1.00 0.00 N ATOM 398 CA LYS A 26 8.432 1.476 -5.121 1.00 0.00 C ATOM 399 C LYS A 26 9.035 0.930 -3.830 1.00 0.00 C ATOM 400 O LYS A 26 10.212 1.146 -3.544 1.00 0.00 O ATOM 401 CB LYS A 26 7.892 2.888 -4.888 1.00 0.00 C ATOM 402 CG LYS A 26 8.947 3.973 -5.039 1.00 0.00 C ATOM 403 CD LYS A 26 8.847 5.007 -3.929 1.00 0.00 C ATOM 404 CE LYS A 26 9.860 4.745 -2.827 1.00 0.00 C ATOM 405 NZ LYS A 26 9.839 5.811 -1.788 1.00 0.00 N ATOM 0 H LYS A 26 6.479 1.074 -5.772 1.00 0.00 H new ATOM 0 HA LYS A 26 9.215 1.514 -5.879 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.082 3.079 -5.592 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.465 2.945 -3.887 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.939 3.521 -5.028 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.830 4.463 -6.006 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.008 6.002 -4.343 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.841 4.995 -3.510 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.650 3.781 -2.363 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.858 4.680 -3.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.544 5.595 -1.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.064 6.727 -2.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.894 5.857 -1.357 1.00 0.00 H new ATOM 419 N LEU A 27 8.223 0.211 -3.059 1.00 0.00 N ATOM 420 CA LEU A 27 8.686 -0.376 -1.806 1.00 0.00 C ATOM 421 C LEU A 27 9.490 -1.642 -2.076 1.00 0.00 C ATOM 422 O LEU A 27 10.425 -1.964 -1.346 1.00 0.00 O ATOM 423 CB LEU A 27 7.502 -0.695 -0.890 1.00 0.00 C ATOM 424 CG LEU A 27 7.020 0.471 -0.026 1.00 0.00 C ATOM 425 CD1 LEU A 27 6.255 1.479 -0.869 1.00 0.00 C ATOM 426 CD2 LEU A 27 6.154 -0.038 1.116 1.00 0.00 C ATOM 0 H LEU A 27 7.245 0.022 -3.279 1.00 0.00 H new ATOM 0 HA LEU A 27 9.328 0.350 -1.307 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.670 -1.041 -1.504 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.780 -1.521 -0.236 1.00 0.00 H new ATOM 0 HG LEU A 27 7.891 0.970 0.398 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.920 2.302 -0.237 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.906 1.866 -1.653 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.390 0.993 -1.321 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.819 0.804 1.722 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.288 -0.561 0.711 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.734 -0.722 1.735 1.00 0.00 H new ATOM 438 N GLU A 28 9.120 -2.351 -3.137 1.00 0.00 N ATOM 439 CA GLU A 28 9.803 -3.582 -3.520 1.00 0.00 C ATOM 440 C GLU A 28 11.295 -3.348 -3.759 1.00 0.00 C ATOM 441 O GLU A 28 12.075 -4.299 -3.818 1.00 0.00 O ATOM 442 CB GLU A 28 9.157 -4.176 -4.774 1.00 0.00 C ATOM 443 CG GLU A 28 8.326 -5.420 -4.498 1.00 0.00 C ATOM 444 CD GLU A 28 6.841 -5.121 -4.408 1.00 0.00 C ATOM 445 OE1 GLU A 28 6.281 -4.598 -5.393 1.00 0.00 O ATOM 446 OE2 GLU A 28 6.243 -5.408 -3.351 1.00 0.00 O ATOM 0 H GLU A 28 8.347 -2.093 -3.750 1.00 0.00 H new ATOM 0 HA GLU A 28 9.704 -4.287 -2.694 1.00 0.00 H new ATOM 0 HB2 GLU A 28 8.523 -3.421 -5.239 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.938 -4.423 -5.493 1.00 0.00 H new ATOM 0 HG2 GLU A 28 8.499 -6.151 -5.288 1.00 0.00 H new ATOM 0 HG3 GLU A 28 8.659 -5.875 -3.565 1.00 0.00 H new ATOM 453 N GLN A 29 11.692 -2.084 -3.895 1.00 0.00 N ATOM 454 CA GLN A 29 13.092 -1.748 -4.122 1.00 0.00 C ATOM 455 C GLN A 29 13.915 -1.951 -2.853 1.00 0.00 C ATOM 456 O GLN A 29 14.933 -2.645 -2.867 1.00 0.00 O ATOM 457 CB GLN A 29 13.219 -0.299 -4.598 1.00 0.00 C ATOM 458 CG GLN A 29 14.643 0.105 -4.941 1.00 0.00 C ATOM 459 CD GLN A 29 14.711 1.066 -6.111 1.00 0.00 C ATOM 460 OE1 GLN A 29 13.947 2.030 -6.183 1.00 0.00 O ATOM 461 NE2 GLN A 29 15.628 0.810 -7.037 1.00 0.00 N ATOM 0 H GLN A 29 11.065 -1.280 -3.852 1.00 0.00 H new ATOM 0 HA GLN A 29 13.478 -2.414 -4.894 1.00 0.00 H new ATOM 0 HB2 GLN A 29 12.588 -0.157 -5.476 1.00 0.00 H new ATOM 0 HB3 GLN A 29 12.839 0.365 -3.821 1.00 0.00 H new ATOM 0 HG2 GLN A 29 15.106 0.567 -4.069 1.00 0.00 H new ATOM 0 HG3 GLN A 29 15.224 -0.787 -5.175 1.00 0.00 H new ATOM 0 HE21 GLN A 29 16.241 0.000 -6.938 1.00 0.00 H new ATOM 0 HE22 GLN A 29 15.720 1.423 -7.847 1.00 0.00 H new ATOM 470 N TYR A 30 13.469 -1.343 -1.757 1.00 0.00 N ATOM 471 CA TYR A 30 14.172 -1.462 -0.481 1.00 0.00 C ATOM 472 C TYR A 30 13.575 -2.570 0.383 1.00 0.00 C ATOM 473 O TYR A 30 14.253 -3.119 1.253 1.00 0.00 O ATOM 474 CB TYR A 30 14.153 -0.133 0.283 1.00 0.00 C ATOM 475 CG TYR A 30 12.874 0.663 0.125 1.00 0.00 C ATOM 476 CD1 TYR A 30 11.742 0.355 0.870 1.00 0.00 C ATOM 477 CD2 TYR A 30 12.802 1.726 -0.768 1.00 0.00 C ATOM 478 CE1 TYR A 30 10.576 1.085 0.732 1.00 0.00 C ATOM 479 CE2 TYR A 30 11.639 2.458 -0.912 1.00 0.00 C ATOM 480 CZ TYR A 30 10.531 2.135 -0.161 1.00 0.00 C ATOM 481 OH TYR A 30 9.372 2.863 -0.302 1.00 0.00 O ATOM 0 H TYR A 30 12.629 -0.766 -1.725 1.00 0.00 H new ATOM 0 HA TYR A 30 15.207 -1.722 -0.705 1.00 0.00 H new ATOM 0 HB2 TYR A 30 14.312 -0.335 1.342 1.00 0.00 H new ATOM 0 HB3 TYR A 30 14.990 0.478 -0.054 1.00 0.00 H new ATOM 0 HD1 TYR A 30 11.774 -0.468 1.568 1.00 0.00 H new ATOM 0 HD2 TYR A 30 13.669 1.984 -1.359 1.00 0.00 H new ATOM 0 HE1 TYR A 30 9.705 0.834 1.320 1.00 0.00 H new ATOM 0 HE2 TYR A 30 11.599 3.280 -1.611 1.00 0.00 H new ATOM 0 HH TYR A 30 9.545 3.801 -0.077 1.00 0.00 H new ATOM 491 N PHE A 31 12.310 -2.900 0.142 1.00 0.00 N ATOM 492 CA PHE A 31 11.641 -3.948 0.904 1.00 0.00 C ATOM 493 C PHE A 31 11.630 -5.262 0.131 1.00 0.00 C ATOM 494 O PHE A 31 11.069 -5.347 -0.961 1.00 0.00 O ATOM 495 CB PHE A 31 10.208 -3.530 1.248 1.00 0.00 C ATOM 496 CG PHE A 31 10.128 -2.559 2.390 1.00 0.00 C ATOM 497 CD1 PHE A 31 10.850 -2.777 3.550 1.00 0.00 C ATOM 498 CD2 PHE A 31 9.331 -1.429 2.305 1.00 0.00 C ATOM 499 CE1 PHE A 31 10.783 -1.889 4.604 1.00 0.00 C ATOM 500 CE2 PHE A 31 9.257 -0.535 3.355 1.00 0.00 C ATOM 501 CZ PHE A 31 9.985 -0.765 4.507 1.00 0.00 C ATOM 0 H PHE A 31 11.730 -2.459 -0.572 1.00 0.00 H new ATOM 0 HA PHE A 31 12.197 -4.097 1.829 1.00 0.00 H new ATOM 0 HB2 PHE A 31 9.747 -3.083 0.368 1.00 0.00 H new ATOM 0 HB3 PHE A 31 9.628 -4.419 1.495 1.00 0.00 H new ATOM 0 HD1 PHE A 31 11.475 -3.654 3.632 1.00 0.00 H new ATOM 0 HD2 PHE A 31 8.761 -1.245 1.407 1.00 0.00 H new ATOM 0 HE1 PHE A 31 11.353 -2.072 5.503 1.00 0.00 H new ATOM 0 HE2 PHE A 31 8.632 0.342 3.276 1.00 0.00 H new ATOM 0 HZ PHE A 31 9.930 -0.068 5.330 1.00 0.00 H new ATOM 511 N ASP A 32 12.256 -6.285 0.704 1.00 0.00 N ATOM 512 CA ASP A 32 12.323 -7.595 0.069 1.00 0.00 C ATOM 513 C ASP A 32 11.386 -8.586 0.755 1.00 0.00 C ATOM 514 O ASP A 32 10.904 -9.530 0.131 1.00 0.00 O ATOM 515 CB ASP A 32 13.757 -8.129 0.103 1.00 0.00 C ATOM 516 CG ASP A 32 14.563 -7.697 -1.108 1.00 0.00 C ATOM 517 OD1 ASP A 32 14.932 -6.507 -1.180 1.00 0.00 O ATOM 518 OD2 ASP A 32 14.824 -8.551 -1.980 1.00 0.00 O ATOM 0 H ASP A 32 12.725 -6.231 1.608 1.00 0.00 H new ATOM 0 HA ASP A 32 12.006 -7.482 -0.968 1.00 0.00 H new ATOM 0 HB2 ASP A 32 14.251 -7.778 1.009 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.736 -9.218 0.152 1.00 0.00 H new ATOM 523 N ARG A 33 11.131 -8.363 2.041 1.00 0.00 N ATOM 524 CA ARG A 33 10.252 -9.238 2.807 1.00 0.00 C ATOM 525 C ARG A 33 8.802 -9.072 2.364 1.00 0.00 C ATOM 526 O ARG A 33 7.957 -8.600 3.127 1.00 0.00 O ATOM 527 CB ARG A 33 10.376 -8.942 4.302 1.00 0.00 C ATOM 528 CG ARG A 33 11.813 -8.853 4.792 1.00 0.00 C ATOM 529 CD ARG A 33 12.312 -10.198 5.294 1.00 0.00 C ATOM 530 NE ARG A 33 13.767 -10.307 5.212 1.00 0.00 N ATOM 531 CZ ARG A 33 14.435 -10.486 4.075 1.00 0.00 C ATOM 532 NH1 ARG A 33 13.783 -10.576 2.923 1.00 0.00 N ATOM 533 NH2 ARG A 33 15.758 -10.572 4.091 1.00 0.00 N ATOM 0 H ARG A 33 11.520 -7.585 2.573 1.00 0.00 H new ATOM 0 HA ARG A 33 10.556 -10.268 2.622 1.00 0.00 H new ATOM 0 HB2 ARG A 33 9.868 -8.002 4.520 1.00 0.00 H new ATOM 0 HB3 ARG A 33 9.859 -9.721 4.862 1.00 0.00 H new ATOM 0 HG2 ARG A 33 12.454 -8.504 3.982 1.00 0.00 H new ATOM 0 HG3 ARG A 33 11.881 -8.116 5.592 1.00 0.00 H new ATOM 0 HD2 ARG A 33 11.995 -10.339 6.327 1.00 0.00 H new ATOM 0 HD3 ARG A 33 11.855 -10.996 4.709 1.00 0.00 H new ATOM 0 HE ARG A 33 14.302 -10.242 6.078 1.00 0.00 H new ATOM 0 HH11 ARG A 33 12.765 -10.508 2.906 1.00 0.00 H new ATOM 0 HH12 ARG A 33 14.299 -10.713 2.054 1.00 0.00 H new ATOM 0 HH21 ARG A 33 16.263 -10.501 4.974 1.00 0.00 H new ATOM 0 HH22 ARG A 33 16.271 -10.709 3.220 1.00 0.00 H new ATOM 547 N ILE A 34 8.519 -9.463 1.126 1.00 0.00 N ATOM 548 CA ILE A 34 7.171 -9.357 0.585 1.00 0.00 C ATOM 549 C ILE A 34 6.814 -10.588 -0.242 1.00 0.00 C ATOM 550 O ILE A 34 7.378 -10.813 -1.313 1.00 0.00 O ATOM 551 CB ILE A 34 7.016 -8.101 -0.295 1.00 0.00 C ATOM 552 CG1 ILE A 34 7.570 -6.872 0.430 1.00 0.00 C ATOM 553 CG2 ILE A 34 5.556 -7.890 -0.664 1.00 0.00 C ATOM 554 CD1 ILE A 34 7.730 -5.663 -0.466 1.00 0.00 C ATOM 0 H ILE A 34 9.204 -9.855 0.480 1.00 0.00 H new ATOM 0 HA ILE A 34 6.493 -9.282 1.435 1.00 0.00 H new ATOM 0 HB ILE A 34 7.586 -8.246 -1.213 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.906 -6.617 1.256 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.538 -7.122 0.865 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.463 -6.999 -1.285 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.191 -8.757 -1.215 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.966 -7.762 0.244 1.00 0.00 H new ATOM 0 HD11 ILE A 34 8.127 -4.830 0.114 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.418 -5.900 -1.278 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.761 -5.387 -0.881 1.00 0.00 H new ATOM 566 N ASN A 35 5.874 -11.381 0.261 1.00 0.00 N ATOM 567 CA ASN A 35 5.441 -12.589 -0.435 1.00 0.00 C ATOM 568 C ASN A 35 3.957 -12.512 -0.783 1.00 0.00 C ATOM 569 O ASN A 35 3.580 -12.587 -1.952 1.00 0.00 O ATOM 570 CB ASN A 35 5.716 -13.830 0.420 1.00 0.00 C ATOM 571 CG ASN A 35 5.433 -13.601 1.893 1.00 0.00 C ATOM 572 OD1 ASN A 35 4.462 -14.123 2.440 1.00 0.00 O ATOM 573 ND2 ASN A 35 6.284 -12.817 2.544 1.00 0.00 N ATOM 0 H ASN A 35 5.398 -11.210 1.147 1.00 0.00 H new ATOM 0 HA ASN A 35 6.011 -12.667 -1.361 1.00 0.00 H new ATOM 0 HB2 ASN A 35 5.103 -14.657 0.061 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.757 -14.128 0.296 1.00 0.00 H new ATOM 0 HD21 ASN A 35 6.146 -12.627 3.537 1.00 0.00 H new ATOM 0 HD22 ASN A 35 7.076 -12.404 2.052 1.00 0.00 H new ATOM 580 N GLN A 36 3.119 -12.358 0.237 1.00 0.00 N ATOM 581 CA GLN A 36 1.677 -12.268 0.035 1.00 0.00 C ATOM 582 C GLN A 36 1.117 -11.006 0.680 1.00 0.00 C ATOM 583 O GLN A 36 1.175 -10.843 1.899 1.00 0.00 O ATOM 584 CB GLN A 36 0.979 -13.501 0.610 1.00 0.00 C ATOM 585 CG GLN A 36 -0.531 -13.485 0.430 1.00 0.00 C ATOM 586 CD GLN A 36 -1.063 -14.778 -0.161 1.00 0.00 C ATOM 587 OE1 GLN A 36 -1.914 -14.763 -1.049 1.00 0.00 O ATOM 588 NE2 GLN A 36 -0.562 -15.903 0.334 1.00 0.00 N ATOM 0 H GLN A 36 3.413 -12.293 1.211 1.00 0.00 H new ATOM 0 HA GLN A 36 1.489 -12.222 -1.038 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.384 -14.393 0.133 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.209 -13.576 1.673 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -1.006 -13.309 1.395 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.807 -12.653 -0.218 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.143 -15.867 1.071 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.882 -16.804 -0.022 1.00 0.00 H new ATOM 597 N VAL A 37 0.573 -10.116 -0.143 1.00 0.00 N ATOM 598 CA VAL A 37 0.004 -8.870 0.351 1.00 0.00 C ATOM 599 C VAL A 37 -1.422 -8.682 -0.153 1.00 0.00 C ATOM 600 O VAL A 37 -1.705 -8.880 -1.336 1.00 0.00 O ATOM 601 CB VAL A 37 0.845 -7.654 -0.080 1.00 0.00 C ATOM 602 CG1 VAL A 37 0.409 -6.409 0.678 1.00 0.00 C ATOM 603 CG2 VAL A 37 2.330 -7.923 0.122 1.00 0.00 C ATOM 0 H VAL A 37 0.515 -10.235 -1.154 1.00 0.00 H new ATOM 0 HA VAL A 37 0.003 -8.936 1.439 1.00 0.00 H new ATOM 0 HB VAL A 37 0.678 -7.481 -1.143 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.014 -5.559 0.361 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.641 -6.205 0.469 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.541 -6.569 1.748 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.904 -7.050 -0.189 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.523 -8.127 1.175 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.628 -8.785 -0.475 1.00 0.00 H new ATOM 613 N TYR A 38 -2.315 -8.291 0.748 1.00 0.00 N ATOM 614 CA TYR A 38 -3.711 -8.064 0.391 1.00 0.00 C ATOM 615 C TYR A 38 -4.181 -6.703 0.892 1.00 0.00 C ATOM 616 O TYR A 38 -3.938 -6.333 2.041 1.00 0.00 O ATOM 617 CB TYR A 38 -4.605 -9.177 0.950 1.00 0.00 C ATOM 618 CG TYR A 38 -4.150 -9.731 2.283 1.00 0.00 C ATOM 619 CD1 TYR A 38 -3.001 -10.504 2.379 1.00 0.00 C ATOM 620 CD2 TYR A 38 -4.875 -9.486 3.443 1.00 0.00 C ATOM 621 CE1 TYR A 38 -2.583 -11.018 3.592 1.00 0.00 C ATOM 622 CE2 TYR A 38 -4.465 -9.995 4.661 1.00 0.00 C ATOM 623 CZ TYR A 38 -3.320 -10.760 4.729 1.00 0.00 C ATOM 624 OH TYR A 38 -2.908 -11.270 5.940 1.00 0.00 O ATOM 0 H TYR A 38 -2.098 -8.124 1.731 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.787 -8.077 -0.696 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -5.620 -8.793 1.057 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -4.647 -9.991 0.227 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.423 -10.707 1.490 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -5.773 -8.888 3.392 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.686 -11.617 3.649 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -5.038 -9.795 5.554 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.121 -11.839 5.805 1.00 0.00 H new ATOM 634 N VAL A 39 -4.845 -5.957 0.015 1.00 0.00 N ATOM 635 CA VAL A 39 -5.342 -4.630 0.358 1.00 0.00 C ATOM 636 C VAL A 39 -6.827 -4.496 0.047 1.00 0.00 C ATOM 637 O VAL A 39 -7.322 -5.062 -0.928 1.00 0.00 O ATOM 638 CB VAL A 39 -4.571 -3.531 -0.397 1.00 0.00 C ATOM 639 CG1 VAL A 39 -4.933 -2.155 0.144 1.00 0.00 C ATOM 640 CG2 VAL A 39 -3.069 -3.771 -0.310 1.00 0.00 C ATOM 0 H VAL A 39 -5.051 -6.250 -0.940 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.188 -4.505 1.430 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.859 -3.569 -1.448 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.378 -1.392 -0.402 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.002 -1.985 0.020 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.678 -2.101 1.202 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.543 -2.984 -0.850 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.759 -3.764 0.735 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.829 -4.737 -0.753 1.00 0.00 H new ATOM 650 N VAL A 40 -7.533 -3.739 0.880 1.00 0.00 N ATOM 651 CA VAL A 40 -8.962 -3.524 0.694 1.00 0.00 C ATOM 652 C VAL A 40 -9.349 -2.101 1.063 1.00 0.00 C ATOM 653 O VAL A 40 -8.896 -1.561 2.071 1.00 0.00 O ATOM 654 CB VAL A 40 -9.797 -4.511 1.531 1.00 0.00 C ATOM 655 CG1 VAL A 40 -11.277 -4.376 1.202 1.00 0.00 C ATOM 656 CG2 VAL A 40 -9.322 -5.938 1.304 1.00 0.00 C ATOM 0 H VAL A 40 -7.138 -3.264 1.691 1.00 0.00 H new ATOM 0 HA VAL A 40 -9.175 -3.695 -0.361 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.660 -4.269 2.585 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -11.849 -5.082 1.804 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -11.607 -3.361 1.421 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.436 -4.589 0.145 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -9.923 -6.621 1.903 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.426 -6.193 0.249 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -8.275 -6.024 1.596 1.00 0.00 H new ATOM 666 N LEU A 41 -10.178 -1.498 0.223 1.00 0.00 N ATOM 667 CA LEU A 41 -10.621 -0.130 0.433 1.00 0.00 C ATOM 668 C LEU A 41 -12.136 0.000 0.297 1.00 0.00 C ATOM 669 O LEU A 41 -12.724 -0.440 -0.690 1.00 0.00 O ATOM 670 CB LEU A 41 -9.910 0.806 -0.551 1.00 0.00 C ATOM 671 CG LEU A 41 -9.591 0.203 -1.927 1.00 0.00 C ATOM 672 CD1 LEU A 41 -8.573 -0.920 -1.806 1.00 0.00 C ATOM 673 CD2 LEU A 41 -10.858 -0.285 -2.612 1.00 0.00 C ATOM 0 H LEU A 41 -10.558 -1.939 -0.614 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.361 0.156 1.452 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -10.531 1.690 -0.697 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.978 1.142 -0.096 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.154 0.988 -2.545 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.364 -1.330 -2.794 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.652 -0.531 -1.373 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.972 -1.705 -1.164 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.606 -0.708 -3.585 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -11.333 -1.049 -1.996 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.544 0.551 -2.747 1.00 0.00 H new ATOM 685 N LYS A 42 -12.761 0.611 1.298 1.00 0.00 N ATOM 686 CA LYS A 42 -14.205 0.811 1.294 1.00 0.00 C ATOM 687 C LYS A 42 -14.541 2.273 1.025 1.00 0.00 C ATOM 688 O LYS A 42 -13.859 3.176 1.512 1.00 0.00 O ATOM 689 CB LYS A 42 -14.808 0.364 2.629 1.00 0.00 C ATOM 690 CG LYS A 42 -16.297 0.644 2.752 1.00 0.00 C ATOM 691 CD LYS A 42 -16.807 0.354 4.156 1.00 0.00 C ATOM 692 CE LYS A 42 -16.195 1.297 5.180 1.00 0.00 C ATOM 693 NZ LYS A 42 -15.568 0.560 6.311 1.00 0.00 N ATOM 0 H LYS A 42 -12.288 0.977 2.124 1.00 0.00 H new ATOM 0 HA LYS A 42 -14.635 0.205 0.496 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -14.637 -0.705 2.755 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.284 0.868 3.441 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -16.494 1.686 2.501 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -16.843 0.034 2.033 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -17.893 0.449 4.176 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -16.572 -0.676 4.423 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -15.446 1.922 4.695 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -16.966 1.964 5.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -15.163 1.240 6.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -16.288 -0.017 6.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -14.815 -0.058 5.948 1.00 0.00 H new ATOM 707 N VAL A 43 -15.591 2.498 0.244 1.00 0.00 N ATOM 708 CA VAL A 43 -16.014 3.851 -0.096 1.00 0.00 C ATOM 709 C VAL A 43 -17.440 4.121 0.371 1.00 0.00 C ATOM 710 O VAL A 43 -18.392 3.525 -0.129 1.00 0.00 O ATOM 711 CB VAL A 43 -15.929 4.100 -1.614 1.00 0.00 C ATOM 712 CG1 VAL A 43 -16.199 5.563 -1.933 1.00 0.00 C ATOM 713 CG2 VAL A 43 -14.573 3.670 -2.150 1.00 0.00 C ATOM 0 H VAL A 43 -16.165 1.761 -0.166 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.334 4.530 0.418 1.00 0.00 H new ATOM 0 HB VAL A 43 -16.695 3.500 -2.105 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -16.134 5.719 -3.010 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -17.197 5.833 -1.587 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -15.460 6.187 -1.431 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -14.531 3.853 -3.224 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -13.788 4.241 -1.654 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -14.426 2.607 -1.957 1.00 0.00 H new ATOM 723 N GLU A 44 -17.576 5.029 1.331 1.00 0.00 N ATOM 724 CA GLU A 44 -18.884 5.389 1.863 1.00 0.00 C ATOM 725 C GLU A 44 -19.033 6.905 1.938 1.00 0.00 C ATOM 726 O GLU A 44 -18.047 7.632 2.057 1.00 0.00 O ATOM 727 CB GLU A 44 -19.095 4.767 3.246 1.00 0.00 C ATOM 728 CG GLU A 44 -17.875 4.847 4.146 1.00 0.00 C ATOM 729 CD GLU A 44 -18.128 4.277 5.528 1.00 0.00 C ATOM 730 OE1 GLU A 44 -19.307 4.043 5.869 1.00 0.00 O ATOM 731 OE2 GLU A 44 -17.145 4.064 6.271 1.00 0.00 O ATOM 0 H GLU A 44 -16.796 5.529 1.757 1.00 0.00 H new ATOM 0 HA GLU A 44 -19.645 4.997 1.188 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -19.930 5.268 3.736 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -19.378 3.721 3.125 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -17.050 4.308 3.681 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -17.564 5.888 4.238 1.00 0.00 H new ATOM 738 N LYS A 45 -20.273 7.374 1.854 1.00 0.00 N ATOM 739 CA LYS A 45 -20.562 8.804 1.896 1.00 0.00 C ATOM 740 C LYS A 45 -19.912 9.489 3.100 1.00 0.00 C ATOM 741 O LYS A 45 -19.739 10.708 3.103 1.00 0.00 O ATOM 742 CB LYS A 45 -22.074 9.032 1.931 1.00 0.00 C ATOM 743 CG LYS A 45 -22.482 10.464 1.618 1.00 0.00 C ATOM 744 CD LYS A 45 -23.399 11.034 2.690 1.00 0.00 C ATOM 745 CE LYS A 45 -24.523 11.858 2.084 1.00 0.00 C ATOM 746 NZ LYS A 45 -25.863 11.390 2.539 1.00 0.00 N ATOM 0 H LYS A 45 -21.098 6.782 1.756 1.00 0.00 H new ATOM 0 HA LYS A 45 -20.140 9.246 0.994 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -22.551 8.363 1.215 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -22.451 8.763 2.918 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -21.591 11.086 1.533 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -22.987 10.496 0.652 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -23.821 10.220 3.279 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -22.819 11.655 3.373 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -24.393 12.905 2.356 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -24.469 11.802 0.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -26.602 11.978 2.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -25.998 10.398 2.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -25.925 11.467 3.574 1.00 0.00 H new ATOM 760 N VAL A 46 -19.562 8.714 4.124 1.00 0.00 N ATOM 761 CA VAL A 46 -18.947 9.277 5.321 1.00 0.00 C ATOM 762 C VAL A 46 -17.422 9.357 5.196 1.00 0.00 C ATOM 763 O VAL A 46 -16.880 10.397 4.825 1.00 0.00 O ATOM 764 CB VAL A 46 -19.325 8.466 6.578 1.00 0.00 C ATOM 765 CG1 VAL A 46 -18.722 9.093 7.829 1.00 0.00 C ATOM 766 CG2 VAL A 46 -20.837 8.359 6.703 1.00 0.00 C ATOM 0 H VAL A 46 -19.693 7.703 4.149 1.00 0.00 H new ATOM 0 HA VAL A 46 -19.335 10.290 5.424 1.00 0.00 H new ATOM 0 HB VAL A 46 -18.915 7.461 6.475 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -19.002 8.504 8.702 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -17.636 9.114 7.738 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -19.096 10.111 7.942 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -21.089 7.784 7.594 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -21.267 9.357 6.782 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -21.240 7.859 5.823 1.00 0.00 H new ATOM 776 N THR A 47 -16.734 8.260 5.510 1.00 0.00 N ATOM 777 CA THR A 47 -15.276 8.228 5.432 1.00 0.00 C ATOM 778 C THR A 47 -14.782 7.012 4.653 1.00 0.00 C ATOM 779 O THR A 47 -15.451 5.983 4.596 1.00 0.00 O ATOM 780 CB THR A 47 -14.671 8.230 6.833 1.00 0.00 C ATOM 781 OG1 THR A 47 -13.260 8.341 6.771 1.00 0.00 O ATOM 782 CG2 THR A 47 -14.998 6.986 7.623 1.00 0.00 C ATOM 0 H THR A 47 -17.161 7.387 5.819 1.00 0.00 H new ATOM 0 HA THR A 47 -14.954 9.123 4.899 1.00 0.00 H new ATOM 0 HB THR A 47 -15.112 9.090 7.338 1.00 0.00 H new ATOM 0 HG1 THR A 47 -12.868 7.999 7.602 1.00 0.00 H new ATOM 0 HG21 THR A 47 -14.538 7.050 8.609 1.00 0.00 H new ATOM 0 HG22 THR A 47 -16.079 6.897 7.731 1.00 0.00 H new ATOM 0 HG23 THR A 47 -14.613 6.111 7.100 1.00 0.00 H new ATOM 790 N HIS A 48 -13.594 7.134 4.066 1.00 0.00 N ATOM 791 CA HIS A 48 -13.002 6.040 3.307 1.00 0.00 C ATOM 792 C HIS A 48 -12.059 5.232 4.194 1.00 0.00 C ATOM 793 O HIS A 48 -11.304 5.798 4.983 1.00 0.00 O ATOM 794 CB HIS A 48 -12.248 6.580 2.091 1.00 0.00 C ATOM 795 CG HIS A 48 -13.131 7.275 1.103 1.00 0.00 C ATOM 796 ND1 HIS A 48 -14.148 8.153 1.289 1.00 0.00 N flip ATOM 797 CD2 HIS A 48 -13.021 7.102 -0.261 1.00 0.00 C flip ATOM 798 CE1 HIS A 48 -14.628 8.486 0.046 1.00 0.00 C flip ATOM 799 NE2 HIS A 48 -13.932 7.840 -0.872 1.00 0.00 N flip ATOM 0 H HIS A 48 -13.024 7.979 4.102 1.00 0.00 H new ATOM 0 HA HIS A 48 -13.802 5.388 2.958 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -11.478 7.273 2.429 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -11.738 5.755 1.594 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -12.303 6.463 -0.753 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -15.443 9.167 -0.149 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -14.073 7.900 -1.880 1.00 0.00 H new ATOM 808 N THR A 49 -12.111 3.910 4.071 1.00 0.00 N ATOM 809 CA THR A 49 -11.262 3.041 4.880 1.00 0.00 C ATOM 810 C THR A 49 -10.470 2.067 4.014 1.00 0.00 C ATOM 811 O THR A 49 -11.027 1.392 3.151 1.00 0.00 O ATOM 812 CB THR A 49 -12.110 2.266 5.889 1.00 0.00 C ATOM 813 OG1 THR A 49 -12.919 3.150 6.647 1.00 0.00 O ATOM 814 CG2 THR A 49 -11.286 1.451 6.863 1.00 0.00 C ATOM 0 H THR A 49 -12.727 3.419 3.424 1.00 0.00 H new ATOM 0 HA THR A 49 -10.552 3.674 5.412 1.00 0.00 H new ATOM 0 HB THR A 49 -12.718 1.585 5.293 1.00 0.00 H new ATOM 0 HG1 THR A 49 -13.456 2.636 7.286 1.00 0.00 H new ATOM 0 HG21 THR A 49 -11.949 0.926 7.551 1.00 0.00 H new ATOM 0 HG22 THR A 49 -10.686 0.726 6.314 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.629 2.113 7.427 1.00 0.00 H new ATOM 822 N SER A 50 -9.166 1.996 4.262 1.00 0.00 N ATOM 823 CA SER A 50 -8.290 1.098 3.518 1.00 0.00 C ATOM 824 C SER A 50 -7.433 0.275 4.475 1.00 0.00 C ATOM 825 O SER A 50 -7.038 0.759 5.535 1.00 0.00 O ATOM 826 CB SER A 50 -7.393 1.895 2.568 1.00 0.00 C ATOM 827 OG SER A 50 -6.491 2.720 3.287 1.00 0.00 O ATOM 0 H SER A 50 -8.692 2.551 4.974 1.00 0.00 H new ATOM 0 HA SER A 50 -8.911 0.421 2.932 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.834 1.210 1.930 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.009 2.510 1.912 1.00 0.00 H new ATOM 0 HG SER A 50 -6.887 2.963 4.150 1.00 0.00 H new ATOM 833 N ASP A 51 -7.153 -0.971 4.105 1.00 0.00 N ATOM 834 CA ASP A 51 -6.345 -1.849 4.944 1.00 0.00 C ATOM 835 C ASP A 51 -5.191 -2.459 4.153 1.00 0.00 C ATOM 836 O ASP A 51 -5.339 -2.791 2.976 1.00 0.00 O ATOM 837 CB ASP A 51 -7.215 -2.957 5.546 1.00 0.00 C ATOM 838 CG ASP A 51 -7.978 -3.737 4.494 1.00 0.00 C ATOM 839 OD1 ASP A 51 -7.382 -4.068 3.448 1.00 0.00 O ATOM 840 OD2 ASP A 51 -9.174 -4.018 4.719 1.00 0.00 O ATOM 0 H ASP A 51 -7.472 -1.394 3.233 1.00 0.00 H new ATOM 0 HA ASP A 51 -5.924 -1.249 5.751 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -6.584 -3.641 6.113 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -7.921 -2.517 6.250 1.00 0.00 H new ATOM 845 N ALA A 52 -4.042 -2.605 4.812 1.00 0.00 N ATOM 846 CA ALA A 52 -2.861 -3.175 4.173 1.00 0.00 C ATOM 847 C ALA A 52 -2.180 -4.193 5.083 1.00 0.00 C ATOM 848 O ALA A 52 -1.605 -3.840 6.112 1.00 0.00 O ATOM 849 CB ALA A 52 -1.884 -2.074 3.791 1.00 0.00 C ATOM 0 H ALA A 52 -3.906 -2.336 5.787 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.183 -3.692 3.269 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.008 -2.514 3.315 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.366 -1.385 3.097 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.577 -1.533 4.686 1.00 0.00 H new ATOM 855 N THR A 53 -2.255 -5.462 4.693 1.00 0.00 N ATOM 856 CA THR A 53 -1.651 -6.540 5.469 1.00 0.00 C ATOM 857 C THR A 53 -0.473 -7.160 4.724 1.00 0.00 C ATOM 858 O THR A 53 -0.656 -7.869 3.735 1.00 0.00 O ATOM 859 CB THR A 53 -2.690 -7.615 5.782 1.00 0.00 C ATOM 860 OG1 THR A 53 -3.997 -7.068 5.768 1.00 0.00 O ATOM 861 CG2 THR A 53 -2.483 -8.276 7.126 1.00 0.00 C ATOM 0 H THR A 53 -2.729 -5.769 3.843 1.00 0.00 H new ATOM 0 HA THR A 53 -1.282 -6.115 6.402 1.00 0.00 H new ATOM 0 HB THR A 53 -2.568 -8.368 5.004 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.621 -7.720 5.386 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.255 -9.029 7.284 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.502 -8.752 7.150 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.542 -7.525 7.914 1.00 0.00 H new ATOM 869 N LEU A 54 0.737 -6.892 5.207 1.00 0.00 N ATOM 870 CA LEU A 54 1.943 -7.427 4.587 1.00 0.00 C ATOM 871 C LEU A 54 2.444 -8.655 5.336 1.00 0.00 C ATOM 872 O LEU A 54 2.328 -8.741 6.561 1.00 0.00 O ATOM 873 CB LEU A 54 3.040 -6.359 4.548 1.00 0.00 C ATOM 874 CG LEU A 54 2.982 -5.414 3.346 1.00 0.00 C ATOM 875 CD1 LEU A 54 2.609 -4.006 3.788 1.00 0.00 C ATOM 876 CD2 LEU A 54 4.311 -5.407 2.605 1.00 0.00 C ATOM 0 H LEU A 54 0.907 -6.308 6.026 1.00 0.00 H new ATOM 0 HA LEU A 54 1.694 -7.722 3.568 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.981 -5.766 5.460 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.010 -6.856 4.554 1.00 0.00 H new ATOM 0 HG LEU A 54 2.211 -5.775 2.665 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.573 -3.349 2.919 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.632 -4.023 4.271 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.355 -3.636 4.492 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.249 -4.729 1.754 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.101 -5.074 3.278 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.536 -6.413 2.252 1.00 0.00 H new ATOM 888 N HIS A 55 3.004 -9.606 4.595 1.00 0.00 N ATOM 889 CA HIS A 55 3.527 -10.831 5.186 1.00 0.00 C ATOM 890 C HIS A 55 5.045 -10.767 5.321 1.00 0.00 C ATOM 891 O HIS A 55 5.745 -10.378 4.386 1.00 0.00 O ATOM 892 CB HIS A 55 3.129 -12.043 4.341 1.00 0.00 C ATOM 893 CG HIS A 55 1.772 -12.582 4.672 1.00 0.00 C ATOM 894 ND1 HIS A 55 1.557 -13.887 5.065 1.00 0.00 N ATOM 895 CD2 HIS A 55 0.556 -11.986 4.669 1.00 0.00 C ATOM 896 CE1 HIS A 55 0.268 -14.070 5.288 1.00 0.00 C ATOM 897 NE2 HIS A 55 -0.360 -12.933 5.056 1.00 0.00 N ATOM 0 H HIS A 55 3.107 -9.551 3.582 1.00 0.00 H new ATOM 0 HA HIS A 55 3.096 -10.935 6.182 1.00 0.00 H new ATOM 0 HB2 HIS A 55 3.154 -11.765 3.287 1.00 0.00 H new ATOM 0 HB3 HIS A 55 3.868 -12.832 4.480 1.00 0.00 H new ATOM 0 HD1 HIS A 55 2.280 -14.599 5.167 1.00 0.00 H new ATOM 0 HD2 HIS A 55 0.346 -10.959 4.411 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -0.193 -14.993 5.606 1.00 0.00 H new ATOM 906 N VAL A 56 5.547 -11.150 6.491 1.00 0.00 N ATOM 907 CA VAL A 56 6.982 -11.136 6.747 1.00 0.00 C ATOM 908 C VAL A 56 7.439 -12.440 7.388 1.00 0.00 C ATOM 909 O VAL A 56 6.656 -13.132 8.039 1.00 0.00 O ATOM 910 CB VAL A 56 7.376 -9.962 7.663 1.00 0.00 C ATOM 911 CG1 VAL A 56 8.888 -9.842 7.761 1.00 0.00 C ATOM 912 CG2 VAL A 56 6.762 -8.663 7.161 1.00 0.00 C ATOM 0 H VAL A 56 4.981 -11.473 7.276 1.00 0.00 H new ATOM 0 HA VAL A 56 7.474 -11.017 5.782 1.00 0.00 H new ATOM 0 HB VAL A 56 6.986 -10.160 8.662 1.00 0.00 H new ATOM 0 HG11 VAL A 56 9.145 -9.007 8.413 1.00 0.00 H new ATOM 0 HG12 VAL A 56 9.300 -10.763 8.172 1.00 0.00 H new ATOM 0 HG13 VAL A 56 9.304 -9.670 6.769 1.00 0.00 H new ATOM 0 HG21 VAL A 56 7.051 -7.845 7.821 1.00 0.00 H new ATOM 0 HG22 VAL A 56 7.118 -8.458 6.151 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.676 -8.754 7.151 1.00 0.00 H new ATOM 922 N ASN A 57 8.711 -12.773 7.198 1.00 0.00 N ATOM 923 CA ASN A 57 9.275 -13.997 7.757 1.00 0.00 C ATOM 924 C ASN A 57 9.373 -13.908 9.276 1.00 0.00 C ATOM 925 O ASN A 57 10.264 -13.248 9.811 1.00 0.00 O ATOM 926 CB ASN A 57 10.656 -14.267 7.159 1.00 0.00 C ATOM 927 CG ASN A 57 10.583 -14.795 5.741 1.00 0.00 C ATOM 928 OD1 ASN A 57 9.703 -15.589 5.408 1.00 0.00 O ATOM 929 ND2 ASN A 57 11.507 -14.355 4.895 1.00 0.00 N ATOM 0 H ASN A 57 9.372 -12.212 6.661 1.00 0.00 H new ATOM 0 HA ASN A 57 8.610 -14.822 7.503 1.00 0.00 H new ATOM 0 HB2 ASN A 57 11.239 -13.346 7.170 1.00 0.00 H new ATOM 0 HB3 ASN A 57 11.184 -14.987 7.784 1.00 0.00 H new ATOM 0 HD21 ASN A 57 11.506 -14.675 3.927 1.00 0.00 H new ATOM 0 HD22 ASN A 57 12.218 -13.697 5.214 1.00 0.00 H new ATOM 936 N GLY A 58 8.454 -14.577 9.964 1.00 0.00 N ATOM 937 CA GLY A 58 8.457 -14.559 11.415 1.00 0.00 C ATOM 938 C GLY A 58 7.318 -13.739 11.992 1.00 0.00 C ATOM 939 O GLY A 58 6.949 -13.914 13.153 1.00 0.00 O ATOM 0 H GLY A 58 7.708 -15.131 9.543 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.388 -15.581 11.787 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.406 -14.154 11.767 1.00 0.00 H new ATOM 943 N GLY A 59 6.762 -12.845 11.181 1.00 0.00 N ATOM 944 CA GLY A 59 5.665 -12.013 11.640 1.00 0.00 C ATOM 945 C GLY A 59 4.867 -11.417 10.496 1.00 0.00 C ATOM 946 O GLY A 59 5.266 -11.511 9.336 1.00 0.00 O ATOM 0 H GLY A 59 7.051 -12.682 10.216 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.002 -12.607 12.270 1.00 0.00 H new ATOM 0 HA3 GLY A 59 6.059 -11.209 12.261 1.00 0.00 H new ATOM 950 N GLU A 60 3.739 -10.798 10.828 1.00 0.00 N ATOM 951 CA GLU A 60 2.881 -10.180 9.824 1.00 0.00 C ATOM 952 C GLU A 60 2.320 -8.857 10.338 1.00 0.00 C ATOM 953 O GLU A 60 1.869 -8.768 11.480 1.00 0.00 O ATOM 954 CB GLU A 60 1.736 -11.123 9.448 1.00 0.00 C ATOM 955 CG GLU A 60 2.198 -12.523 9.080 1.00 0.00 C ATOM 956 CD GLU A 60 1.996 -13.518 10.204 1.00 0.00 C ATOM 957 OE1 GLU A 60 0.868 -13.594 10.736 1.00 0.00 O ATOM 958 OE2 GLU A 60 2.966 -14.222 10.556 1.00 0.00 O ATOM 0 H GLU A 60 3.398 -10.711 11.785 1.00 0.00 H new ATOM 0 HA GLU A 60 3.482 -9.983 8.936 1.00 0.00 H new ATOM 0 HB2 GLU A 60 1.040 -11.187 10.284 1.00 0.00 H new ATOM 0 HB3 GLU A 60 1.187 -10.698 8.608 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.653 -12.861 8.198 1.00 0.00 H new ATOM 0 HG3 GLU A 60 3.254 -12.494 8.811 1.00 0.00 H new ATOM 965 N ILE A 61 2.356 -7.833 9.494 1.00 0.00 N ATOM 966 CA ILE A 61 1.855 -6.515 9.874 1.00 0.00 C ATOM 967 C ILE A 61 0.474 -6.259 9.283 1.00 0.00 C ATOM 968 O ILE A 61 0.223 -6.551 8.113 1.00 0.00 O ATOM 969 CB ILE A 61 2.811 -5.397 9.417 1.00 0.00 C ATOM 970 CG1 ILE A 61 4.260 -5.768 9.737 1.00 0.00 C ATOM 971 CG2 ILE A 61 2.437 -4.079 10.079 1.00 0.00 C ATOM 972 CD1 ILE A 61 4.995 -6.395 8.571 1.00 0.00 C ATOM 0 H ILE A 61 2.725 -7.888 8.545 1.00 0.00 H new ATOM 0 HA ILE A 61 1.789 -6.505 10.962 1.00 0.00 H new ATOM 0 HB ILE A 61 2.718 -5.280 8.337 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.794 -4.872 10.054 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.272 -6.461 10.579 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.121 -3.298 9.747 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.417 -3.810 9.803 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.504 -4.184 11.162 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.016 -6.632 8.870 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.484 -7.309 8.268 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.015 -5.696 7.735 1.00 0.00 H new ATOM 984 N HIS A 62 -0.416 -5.701 10.098 1.00 0.00 N ATOM 985 CA HIS A 62 -1.772 -5.390 9.658 1.00 0.00 C ATOM 986 C HIS A 62 -2.164 -3.980 10.090 1.00 0.00 C ATOM 987 O HIS A 62 -2.314 -3.708 11.281 1.00 0.00 O ATOM 988 CB HIS A 62 -2.761 -6.407 10.229 1.00 0.00 C ATOM 989 CG HIS A 62 -4.073 -6.435 9.507 1.00 0.00 C ATOM 990 ND1 HIS A 62 -4.853 -7.568 9.406 1.00 0.00 N ATOM 991 CD2 HIS A 62 -4.742 -5.461 8.846 1.00 0.00 C ATOM 992 CE1 HIS A 62 -5.944 -7.289 8.714 1.00 0.00 C ATOM 993 NE2 HIS A 62 -5.901 -6.018 8.364 1.00 0.00 N ATOM 0 H HIS A 62 -0.222 -5.455 11.069 1.00 0.00 H new ATOM 0 HA HIS A 62 -1.801 -5.442 8.570 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.312 -7.400 10.190 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -2.938 -6.179 11.280 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -4.423 -4.437 8.721 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -6.736 -7.984 8.476 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -6.613 -5.528 7.823 1.00 0.00 H new ATOM 1002 N ALA A 63 -2.328 -3.086 9.122 1.00 0.00 N ATOM 1003 CA ALA A 63 -2.700 -1.707 9.418 1.00 0.00 C ATOM 1004 C ALA A 63 -3.759 -1.198 8.447 1.00 0.00 C ATOM 1005 O ALA A 63 -3.984 -1.789 7.391 1.00 0.00 O ATOM 1006 CB ALA A 63 -1.471 -0.811 9.379 1.00 0.00 C ATOM 0 H ALA A 63 -2.210 -3.290 8.129 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.126 -1.681 10.421 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -1.762 0.216 9.602 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.748 -1.152 10.120 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -1.021 -0.854 8.387 1.00 0.00 H new ATOM 1012 N SER A 64 -4.404 -0.093 8.810 1.00 0.00 N ATOM 1013 CA SER A 64 -5.436 0.505 7.973 1.00 0.00 C ATOM 1014 C SER A 64 -5.328 2.027 8.001 1.00 0.00 C ATOM 1015 O SER A 64 -4.840 2.603 8.973 1.00 0.00 O ATOM 1016 CB SER A 64 -6.824 0.068 8.442 1.00 0.00 C ATOM 1017 OG SER A 64 -7.124 0.606 9.719 1.00 0.00 O ATOM 0 H SER A 64 -4.228 0.407 9.682 1.00 0.00 H new ATOM 0 HA SER A 64 -5.289 0.162 6.949 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.574 0.394 7.721 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.872 -1.020 8.482 1.00 0.00 H new ATOM 0 HG SER A 64 -8.017 0.313 9.996 1.00 0.00 H new ATOM 1023 N ALA A 65 -5.783 2.675 6.934 1.00 0.00 N ATOM 1024 CA ALA A 65 -5.727 4.129 6.851 1.00 0.00 C ATOM 1025 C ALA A 65 -6.952 4.696 6.138 1.00 0.00 C ATOM 1026 O ALA A 65 -7.355 4.203 5.085 1.00 0.00 O ATOM 1027 CB ALA A 65 -4.454 4.565 6.143 1.00 0.00 C ATOM 0 H ALA A 65 -6.193 2.219 6.119 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.723 4.523 7.867 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.423 5.653 6.087 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.588 4.206 6.698 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.437 4.149 5.136 1.00 0.00 H new ATOM 1033 N GLU A 66 -7.532 5.739 6.721 1.00 0.00 N ATOM 1034 CA GLU A 66 -8.707 6.383 6.145 1.00 0.00 C ATOM 1035 C GLU A 66 -8.328 7.712 5.500 1.00 0.00 C ATOM 1036 O GLU A 66 -7.324 8.325 5.866 1.00 0.00 O ATOM 1037 CB GLU A 66 -9.774 6.608 7.218 1.00 0.00 C ATOM 1038 CG GLU A 66 -9.341 7.562 8.319 1.00 0.00 C ATOM 1039 CD GLU A 66 -10.510 8.077 9.137 1.00 0.00 C ATOM 1040 OE1 GLU A 66 -11.506 7.337 9.280 1.00 0.00 O ATOM 1041 OE2 GLU A 66 -10.430 9.220 9.634 1.00 0.00 O ATOM 0 H GLU A 66 -7.207 6.157 7.593 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.114 5.725 5.377 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.676 6.998 6.745 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -10.037 5.648 7.663 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.637 7.055 8.978 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.812 8.406 7.876 1.00 0.00 H new ATOM 1048 N GLY A 67 -9.131 8.150 4.537 1.00 0.00 N ATOM 1049 CA GLY A 67 -8.853 9.404 3.859 1.00 0.00 C ATOM 1050 C GLY A 67 -10.090 10.017 3.235 1.00 0.00 C ATOM 1051 O GLY A 67 -11.128 9.365 3.124 1.00 0.00 O ATOM 0 H GLY A 67 -9.966 7.662 4.214 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -8.422 10.109 4.570 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -8.105 9.236 3.084 1.00 0.00 H new ATOM 1055 N GLN A 68 -9.979 11.278 2.830 1.00 0.00 N ATOM 1056 CA GLN A 68 -11.094 11.992 2.217 1.00 0.00 C ATOM 1057 C GLN A 68 -11.541 11.330 0.913 1.00 0.00 C ATOM 1058 O GLN A 68 -12.624 11.621 0.406 1.00 0.00 O ATOM 1059 CB GLN A 68 -10.703 13.447 1.953 1.00 0.00 C ATOM 1060 CG GLN A 68 -11.834 14.291 1.391 1.00 0.00 C ATOM 1061 CD GLN A 68 -12.973 14.468 2.378 1.00 0.00 C ATOM 1062 OE1 GLN A 68 -12.749 14.745 3.556 1.00 0.00 O ATOM 1063 NE2 GLN A 68 -14.200 14.312 1.899 1.00 0.00 N ATOM 0 H GLN A 68 -9.125 11.829 2.916 1.00 0.00 H new ATOM 0 HA GLN A 68 -11.932 11.959 2.914 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.355 13.895 2.884 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -9.865 13.468 1.256 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -11.447 15.270 1.109 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.214 13.824 0.482 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -14.338 14.082 0.915 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -15.006 14.422 2.515 1.00 0.00 H new ATOM 1072 N ASP A 69 -10.712 10.439 0.374 1.00 0.00 N ATOM 1073 CA ASP A 69 -11.041 9.747 -0.868 1.00 0.00 C ATOM 1074 C ASP A 69 -10.275 8.433 -0.978 1.00 0.00 C ATOM 1075 O ASP A 69 -9.449 8.111 -0.123 1.00 0.00 O ATOM 1076 CB ASP A 69 -10.731 10.637 -2.074 1.00 0.00 C ATOM 1077 CG ASP A 69 -9.394 11.344 -1.946 1.00 0.00 C ATOM 1078 OD1 ASP A 69 -8.353 10.656 -1.984 1.00 0.00 O ATOM 1079 OD2 ASP A 69 -9.390 12.585 -1.810 1.00 0.00 O ATOM 0 H ASP A 69 -9.811 10.180 0.777 1.00 0.00 H new ATOM 0 HA ASP A 69 -12.108 9.524 -0.858 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -10.732 10.030 -2.979 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -11.521 11.379 -2.187 1.00 0.00 H new ATOM 1084 N MET A 70 -10.556 7.674 -2.032 1.00 0.00 N ATOM 1085 CA MET A 70 -9.894 6.392 -2.251 1.00 0.00 C ATOM 1086 C MET A 70 -8.393 6.572 -2.470 1.00 0.00 C ATOM 1087 O MET A 70 -7.626 5.617 -2.360 1.00 0.00 O ATOM 1088 CB MET A 70 -10.510 5.671 -3.451 1.00 0.00 C ATOM 1089 CG MET A 70 -10.023 4.239 -3.617 1.00 0.00 C ATOM 1090 SD MET A 70 -11.283 3.020 -3.195 1.00 0.00 S ATOM 1091 CE MET A 70 -11.184 1.929 -4.611 1.00 0.00 C ATOM 0 H MET A 70 -11.238 7.924 -2.748 1.00 0.00 H new ATOM 0 HA MET A 70 -10.039 5.788 -1.356 1.00 0.00 H new ATOM 0 HB2 MET A 70 -11.595 5.667 -3.344 1.00 0.00 H new ATOM 0 HB3 MET A 70 -10.281 6.231 -4.358 1.00 0.00 H new ATOM 0 HG2 MET A 70 -9.706 4.085 -4.648 1.00 0.00 H new ATOM 0 HG3 MET A 70 -9.147 4.083 -2.987 1.00 0.00 H new ATOM 0 HE1 MET A 70 -11.918 1.130 -4.507 1.00 0.00 H new ATOM 0 HE2 MET A 70 -11.389 2.494 -5.520 1.00 0.00 H new ATOM 0 HE3 MET A 70 -10.185 1.498 -4.669 1.00 0.00 H new ATOM 1101 N TYR A 71 -7.978 7.798 -2.781 1.00 0.00 N ATOM 1102 CA TYR A 71 -6.567 8.087 -3.015 1.00 0.00 C ATOM 1103 C TYR A 71 -5.860 8.431 -1.707 1.00 0.00 C ATOM 1104 O TYR A 71 -4.726 8.011 -1.473 1.00 0.00 O ATOM 1105 CB TYR A 71 -6.419 9.240 -4.008 1.00 0.00 C ATOM 1106 CG TYR A 71 -6.780 8.867 -5.428 1.00 0.00 C ATOM 1107 CD1 TYR A 71 -6.351 7.667 -5.982 1.00 0.00 C ATOM 1108 CD2 TYR A 71 -7.550 9.715 -6.215 1.00 0.00 C ATOM 1109 CE1 TYR A 71 -6.679 7.323 -7.280 1.00 0.00 C ATOM 1110 CE2 TYR A 71 -7.883 9.377 -7.513 1.00 0.00 C ATOM 1111 CZ TYR A 71 -7.445 8.181 -8.040 1.00 0.00 C ATOM 1112 OH TYR A 71 -7.774 7.842 -9.333 1.00 0.00 O ATOM 0 H TYR A 71 -8.596 8.603 -2.876 1.00 0.00 H new ATOM 0 HA TYR A 71 -6.102 7.195 -3.435 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -7.051 10.068 -3.687 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.390 9.598 -3.986 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -5.752 6.992 -5.389 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -7.894 10.653 -5.806 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -6.337 6.387 -7.697 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -8.483 10.046 -8.111 1.00 0.00 H new ATOM 0 HH TYR A 71 -8.318 8.554 -9.730 1.00 0.00 H new ATOM 1122 N ALA A 72 -6.539 9.194 -0.856 1.00 0.00 N ATOM 1123 CA ALA A 72 -5.977 9.591 0.428 1.00 0.00 C ATOM 1124 C ALA A 72 -5.769 8.378 1.329 1.00 0.00 C ATOM 1125 O ALA A 72 -4.737 8.251 1.987 1.00 0.00 O ATOM 1126 CB ALA A 72 -6.881 10.609 1.108 1.00 0.00 C ATOM 0 H ALA A 72 -7.479 9.549 -1.033 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.005 10.051 0.248 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.449 10.897 2.066 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -6.978 11.491 0.474 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.865 10.170 1.271 1.00 0.00 H new ATOM 1132 N ALA A 73 -6.757 7.490 1.354 1.00 0.00 N ATOM 1133 CA ALA A 73 -6.686 6.284 2.173 1.00 0.00 C ATOM 1134 C ALA A 73 -5.420 5.490 1.875 1.00 0.00 C ATOM 1135 O ALA A 73 -4.786 4.950 2.783 1.00 0.00 O ATOM 1136 CB ALA A 73 -7.919 5.420 1.947 1.00 0.00 C ATOM 0 H ALA A 73 -7.618 7.583 0.816 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.654 6.587 3.219 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.853 4.524 2.564 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -8.812 5.983 2.218 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.975 5.134 0.897 1.00 0.00 H new ATOM 1142 N ILE A 74 -5.053 5.423 0.599 1.00 0.00 N ATOM 1143 CA ILE A 74 -3.859 4.697 0.184 1.00 0.00 C ATOM 1144 C ILE A 74 -2.597 5.450 0.588 1.00 0.00 C ATOM 1145 O ILE A 74 -1.571 4.844 0.896 1.00 0.00 O ATOM 1146 CB ILE A 74 -3.844 4.463 -1.339 1.00 0.00 C ATOM 1147 CG1 ILE A 74 -5.155 3.814 -1.789 1.00 0.00 C ATOM 1148 CG2 ILE A 74 -2.655 3.598 -1.736 1.00 0.00 C ATOM 1149 CD1 ILE A 74 -5.369 2.427 -1.223 1.00 0.00 C ATOM 0 H ILE A 74 -5.566 5.863 -0.165 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.880 3.731 0.688 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.746 5.428 -1.837 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -5.987 4.451 -1.491 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -5.169 3.759 -2.878 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -2.661 3.444 -2.815 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.730 4.096 -1.446 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -2.722 2.634 -1.231 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.317 2.029 -1.584 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.556 1.774 -1.542 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.388 2.477 -0.134 1.00 0.00 H new ATOM 1161 N ASP A 75 -2.681 6.777 0.591 1.00 0.00 N ATOM 1162 CA ASP A 75 -1.546 7.613 0.963 1.00 0.00 C ATOM 1163 C ASP A 75 -1.109 7.319 2.395 1.00 0.00 C ATOM 1164 O ASP A 75 0.047 6.972 2.645 1.00 0.00 O ATOM 1165 CB ASP A 75 -1.906 9.094 0.817 1.00 0.00 C ATOM 1166 CG ASP A 75 -0.867 9.865 0.025 1.00 0.00 C ATOM 1167 OD1 ASP A 75 0.296 9.412 -0.025 1.00 0.00 O ATOM 1168 OD2 ASP A 75 -1.217 10.920 -0.544 1.00 0.00 O ATOM 0 H ASP A 75 -3.523 7.296 0.340 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.717 7.384 0.293 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -2.874 9.183 0.325 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -2.009 9.540 1.806 1.00 0.00 H new ATOM 1173 N GLY A 76 -2.042 7.453 3.330 1.00 0.00 N ATOM 1174 CA GLY A 76 -1.739 7.192 4.725 1.00 0.00 C ATOM 1175 C GLY A 76 -1.536 5.714 5.002 1.00 0.00 C ATOM 1176 O GLY A 76 -0.895 5.342 5.985 1.00 0.00 O ATOM 0 H GLY A 76 -3.004 7.738 3.147 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.840 7.740 5.008 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.551 7.568 5.348 1.00 0.00 H new ATOM 1180 N LEU A 77 -2.084 4.873 4.131 1.00 0.00 N ATOM 1181 CA LEU A 77 -1.960 3.428 4.283 1.00 0.00 C ATOM 1182 C LEU A 77 -0.551 2.967 3.924 1.00 0.00 C ATOM 1183 O LEU A 77 0.060 2.178 4.645 1.00 0.00 O ATOM 1184 CB LEU A 77 -2.989 2.717 3.399 1.00 0.00 C ATOM 1185 CG LEU A 77 -2.875 1.192 3.356 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -2.726 0.625 4.759 1.00 0.00 C ATOM 1187 CD2 LEU A 77 -4.087 0.588 2.661 1.00 0.00 C ATOM 0 H LEU A 77 -2.618 5.167 3.313 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.150 3.173 5.326 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.987 2.980 3.749 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.896 3.100 2.383 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.984 0.930 2.786 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.647 -0.461 4.706 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.828 1.032 5.223 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.597 0.896 5.356 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.990 -0.497 2.639 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.992 0.861 3.205 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.148 0.968 1.641 1.00 0.00 H new ATOM 1199 N ILE A 78 -0.040 3.474 2.808 1.00 0.00 N ATOM 1200 CA ILE A 78 1.300 3.123 2.353 1.00 0.00 C ATOM 1201 C ILE A 78 2.364 3.901 3.125 1.00 0.00 C ATOM 1202 O ILE A 78 3.543 3.546 3.102 1.00 0.00 O ATOM 1203 CB ILE A 78 1.466 3.394 0.845 1.00 0.00 C ATOM 1204 CG1 ILE A 78 0.445 2.583 0.048 1.00 0.00 C ATOM 1205 CG2 ILE A 78 2.882 3.062 0.391 1.00 0.00 C ATOM 1206 CD1 ILE A 78 0.541 1.093 0.294 1.00 0.00 C ATOM 0 H ILE A 78 -0.533 4.129 2.202 1.00 0.00 H new ATOM 0 HA ILE A 78 1.432 2.057 2.538 1.00 0.00 H new ATOM 0 HB ILE A 78 1.290 4.454 0.663 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -0.558 2.923 0.304 1.00 0.00 H new ATOM 0 HG13 ILE A 78 0.586 2.779 -1.015 1.00 0.00 H new ATOM 0 HG21 ILE A 78 2.978 3.260 -0.677 1.00 0.00 H new ATOM 0 HG22 ILE A 78 3.594 3.678 0.940 1.00 0.00 H new ATOM 0 HG23 ILE A 78 3.089 2.009 0.584 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.211 0.577 -0.302 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.533 0.741 0.011 1.00 0.00 H new ATOM 0 HD13 ILE A 78 0.371 0.887 1.351 1.00 0.00 H new ATOM 1218 N ASP A 79 1.942 4.956 3.817 1.00 0.00 N ATOM 1219 CA ASP A 79 2.864 5.769 4.598 1.00 0.00 C ATOM 1220 C ASP A 79 3.191 5.085 5.922 1.00 0.00 C ATOM 1221 O ASP A 79 4.354 4.822 6.225 1.00 0.00 O ATOM 1222 CB ASP A 79 2.266 7.155 4.854 1.00 0.00 C ATOM 1223 CG ASP A 79 2.924 8.231 4.014 1.00 0.00 C ATOM 1224 OD1 ASP A 79 4.150 8.144 3.792 1.00 0.00 O ATOM 1225 OD2 ASP A 79 2.214 9.160 3.578 1.00 0.00 O ATOM 0 H ASP A 79 0.971 5.266 3.852 1.00 0.00 H new ATOM 0 HA ASP A 79 3.787 5.884 4.029 1.00 0.00 H new ATOM 0 HB2 ASP A 79 1.198 7.132 4.639 1.00 0.00 H new ATOM 0 HB3 ASP A 79 2.374 7.405 5.909 1.00 0.00 H new ATOM 1230 N LYS A 80 2.154 4.795 6.701 1.00 0.00 N ATOM 1231 CA LYS A 80 2.329 4.136 7.990 1.00 0.00 C ATOM 1232 C LYS A 80 2.866 2.721 7.803 1.00 0.00 C ATOM 1233 O LYS A 80 3.627 2.219 8.632 1.00 0.00 O ATOM 1234 CB LYS A 80 1.003 4.093 8.751 1.00 0.00 C ATOM 1235 CG LYS A 80 0.325 5.448 8.872 1.00 0.00 C ATOM 1236 CD LYS A 80 -1.129 5.306 9.291 1.00 0.00 C ATOM 1237 CE LYS A 80 -1.960 6.498 8.840 1.00 0.00 C ATOM 1238 NZ LYS A 80 -2.221 7.447 9.957 1.00 0.00 N ATOM 0 H LYS A 80 1.185 5.006 6.463 1.00 0.00 H new ATOM 0 HA LYS A 80 3.052 4.710 8.570 1.00 0.00 H new ATOM 0 HB2 LYS A 80 0.327 3.402 8.247 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.180 3.694 9.750 1.00 0.00 H new ATOM 0 HG2 LYS A 80 0.857 6.059 9.601 1.00 0.00 H new ATOM 0 HG3 LYS A 80 0.381 5.971 7.917 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -1.543 4.391 8.866 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -1.188 5.210 10.375 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -1.441 7.019 8.035 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.908 6.146 8.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -2.790 8.245 9.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -2.739 6.957 10.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -1.317 7.802 10.329 1.00 0.00 H new ATOM 1252 N LEU A 81 2.464 2.081 6.710 1.00 0.00 N ATOM 1253 CA LEU A 81 2.901 0.722 6.413 1.00 0.00 C ATOM 1254 C LEU A 81 4.404 0.675 6.152 1.00 0.00 C ATOM 1255 O LEU A 81 5.109 -0.174 6.698 1.00 0.00 O ATOM 1256 CB LEU A 81 2.138 0.172 5.203 1.00 0.00 C ATOM 1257 CG LEU A 81 0.779 -0.467 5.514 1.00 0.00 C ATOM 1258 CD1 LEU A 81 0.935 -1.960 5.753 1.00 0.00 C ATOM 1259 CD2 LEU A 81 0.122 0.201 6.717 1.00 0.00 C ATOM 0 H LEU A 81 1.835 2.482 6.014 1.00 0.00 H new ATOM 0 HA LEU A 81 2.686 0.100 7.282 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.984 0.984 4.493 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.764 -0.570 4.707 1.00 0.00 H new ATOM 0 HG LEU A 81 0.131 -0.319 4.650 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.039 -2.397 5.972 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.351 -2.430 4.862 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.605 -2.125 6.597 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.840 -0.272 6.915 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.766 0.093 7.590 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.030 1.260 6.507 1.00 0.00 H new ATOM 1271 N ALA A 82 4.891 1.589 5.319 1.00 0.00 N ATOM 1272 CA ALA A 82 6.314 1.641 4.998 1.00 0.00 C ATOM 1273 C ALA A 82 7.152 1.836 6.258 1.00 0.00 C ATOM 1274 O ALA A 82 8.039 1.036 6.554 1.00 0.00 O ATOM 1275 CB ALA A 82 6.593 2.754 3.998 1.00 0.00 C ATOM 0 H ALA A 82 4.325 2.300 4.856 1.00 0.00 H new ATOM 0 HA ALA A 82 6.594 0.688 4.548 1.00 0.00 H new ATOM 0 HB1 ALA A 82 7.658 2.779 3.769 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.030 2.571 3.083 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.291 3.710 4.424 1.00 0.00 H new ATOM 1281 N ARG A 83 6.865 2.905 6.995 1.00 0.00 N ATOM 1282 CA ARG A 83 7.592 3.211 8.225 1.00 0.00 C ATOM 1283 C ARG A 83 7.642 2.002 9.157 1.00 0.00 C ATOM 1284 O ARG A 83 8.644 1.770 9.837 1.00 0.00 O ATOM 1285 CB ARG A 83 6.940 4.394 8.944 1.00 0.00 C ATOM 1286 CG ARG A 83 7.408 5.747 8.433 1.00 0.00 C ATOM 1287 CD ARG A 83 7.885 6.640 9.569 1.00 0.00 C ATOM 1288 NE ARG A 83 6.794 7.420 10.148 1.00 0.00 N ATOM 1289 CZ ARG A 83 6.948 8.272 11.160 1.00 0.00 C ATOM 1290 NH1 ARG A 83 8.143 8.456 11.706 1.00 0.00 N ATOM 1291 NH2 ARG A 83 5.902 8.940 11.627 1.00 0.00 N ATOM 0 H ARG A 83 6.133 3.576 6.762 1.00 0.00 H new ATOM 0 HA ARG A 83 8.614 3.472 7.952 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.858 4.326 8.831 1.00 0.00 H new ATOM 0 HB3 ARG A 83 7.154 4.323 10.010 1.00 0.00 H new ATOM 0 HG2 ARG A 83 8.217 5.606 7.716 1.00 0.00 H new ATOM 0 HG3 ARG A 83 6.593 6.238 7.901 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.343 6.026 10.345 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.657 7.315 9.200 1.00 0.00 H new ATOM 0 HE ARG A 83 5.860 7.305 9.754 1.00 0.00 H new ATOM 0 HH11 ARG A 83 8.950 7.944 11.351 1.00 0.00 H new ATOM 0 HH12 ARG A 83 8.254 9.110 12.481 1.00 0.00 H new ATOM 0 HH21 ARG A 83 4.981 8.801 11.211 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.018 9.593 12.402 1.00 0.00 H new ATOM 1305 N GLN A 84 6.563 1.225 9.176 1.00 0.00 N ATOM 1306 CA GLN A 84 6.496 0.037 10.018 1.00 0.00 C ATOM 1307 C GLN A 84 7.359 -1.075 9.436 1.00 0.00 C ATOM 1308 O GLN A 84 8.109 -1.740 10.153 1.00 0.00 O ATOM 1309 CB GLN A 84 5.047 -0.440 10.154 1.00 0.00 C ATOM 1310 CG GLN A 84 4.323 0.148 11.353 1.00 0.00 C ATOM 1311 CD GLN A 84 4.774 -0.463 12.665 1.00 0.00 C ATOM 1312 OE1 GLN A 84 5.888 -0.215 13.128 1.00 0.00 O ATOM 1313 NE2 GLN A 84 3.908 -1.268 13.271 1.00 0.00 N ATOM 0 H GLN A 84 5.726 1.397 8.619 1.00 0.00 H new ATOM 0 HA GLN A 84 6.875 0.294 11.007 1.00 0.00 H new ATOM 0 HB2 GLN A 84 4.501 -0.180 9.247 1.00 0.00 H new ATOM 0 HB3 GLN A 84 5.037 -1.527 10.231 1.00 0.00 H new ATOM 0 HG2 GLN A 84 4.491 1.225 11.382 1.00 0.00 H new ATOM 0 HG3 GLN A 84 3.250 -0.005 11.235 1.00 0.00 H new ATOM 0 HE21 GLN A 84 2.996 -1.445 12.850 1.00 0.00 H new ATOM 0 HE22 GLN A 84 4.155 -1.709 14.157 1.00 0.00 H new ATOM 1322 N LEU A 85 7.252 -1.263 8.124 1.00 0.00 N ATOM 1323 CA LEU A 85 8.025 -2.284 7.432 1.00 0.00 C ATOM 1324 C LEU A 85 9.518 -2.063 7.651 1.00 0.00 C ATOM 1325 O LEU A 85 10.264 -3.008 7.902 1.00 0.00 O ATOM 1326 CB LEU A 85 7.704 -2.268 5.933 1.00 0.00 C ATOM 1327 CG LEU A 85 6.480 -3.089 5.501 1.00 0.00 C ATOM 1328 CD1 LEU A 85 6.911 -4.449 4.972 1.00 0.00 C ATOM 1329 CD2 LEU A 85 5.491 -3.253 6.649 1.00 0.00 C ATOM 0 H LEU A 85 6.636 -0.720 7.520 1.00 0.00 H new ATOM 0 HA LEU A 85 7.754 -3.258 7.840 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.551 -1.234 5.625 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.575 -2.637 5.391 1.00 0.00 H new ATOM 0 HG LEU A 85 5.978 -2.545 4.701 1.00 0.00 H new ATOM 0 HD11 LEU A 85 6.031 -5.018 4.670 1.00 0.00 H new ATOM 0 HD12 LEU A 85 7.568 -4.314 4.113 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.443 -4.991 5.753 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.636 -3.838 6.312 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.978 -3.766 7.478 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.151 -2.271 6.979 1.00 0.00 H new ATOM 1341 N THR A 86 9.941 -0.805 7.560 1.00 0.00 N ATOM 1342 CA THR A 86 11.344 -0.451 7.753 1.00 0.00 C ATOM 1343 C THR A 86 11.799 -0.798 9.166 1.00 0.00 C ATOM 1344 O THR A 86 12.896 -1.324 9.365 1.00 0.00 O ATOM 1345 CB THR A 86 11.559 1.039 7.485 1.00 0.00 C ATOM 1346 OG1 THR A 86 10.483 1.577 6.736 1.00 0.00 O ATOM 1347 CG2 THR A 86 12.837 1.333 6.729 1.00 0.00 C ATOM 0 H THR A 86 9.332 -0.013 7.354 1.00 0.00 H new ATOM 0 HA THR A 86 11.940 -1.027 7.045 1.00 0.00 H new ATOM 0 HB THR A 86 11.623 1.502 8.470 1.00 0.00 H new ATOM 0 HG1 THR A 86 10.640 2.531 6.577 1.00 0.00 H new ATOM 0 HG21 THR A 86 12.928 2.408 6.572 1.00 0.00 H new ATOM 0 HG22 THR A 86 13.691 0.977 7.305 1.00 0.00 H new ATOM 0 HG23 THR A 86 12.814 0.826 5.764 1.00 0.00 H new ATOM 1355 N LYS A 87 10.948 -0.507 10.147 1.00 0.00 N ATOM 1356 CA LYS A 87 11.263 -0.792 11.544 1.00 0.00 C ATOM 1357 C LYS A 87 11.711 -2.241 11.713 1.00 0.00 C ATOM 1358 O LYS A 87 12.778 -2.510 12.264 1.00 0.00 O ATOM 1359 CB LYS A 87 10.045 -0.516 12.429 1.00 0.00 C ATOM 1360 CG LYS A 87 10.335 -0.639 13.915 1.00 0.00 C ATOM 1361 CD LYS A 87 10.920 0.648 14.479 1.00 0.00 C ATOM 1362 CE LYS A 87 10.104 1.167 15.653 1.00 0.00 C ATOM 1363 NZ LYS A 87 10.661 2.435 16.201 1.00 0.00 N ATOM 0 H LYS A 87 10.036 -0.074 10.000 1.00 0.00 H new ATOM 0 HA LYS A 87 12.080 -0.138 11.849 1.00 0.00 H new ATOM 0 HB2 LYS A 87 9.675 0.488 12.221 1.00 0.00 H new ATOM 0 HB3 LYS A 87 9.248 -1.211 12.164 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.416 -0.885 14.447 1.00 0.00 H new ATOM 0 HG3 LYS A 87 11.031 -1.461 14.084 1.00 0.00 H new ATOM 0 HD2 LYS A 87 11.947 0.472 14.799 1.00 0.00 H new ATOM 0 HD3 LYS A 87 10.955 1.406 13.696 1.00 0.00 H new ATOM 0 HE2 LYS A 87 9.074 1.331 15.335 1.00 0.00 H new ATOM 0 HE3 LYS A 87 10.079 0.412 16.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 10.076 2.755 16.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 11.635 2.274 16.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 10.662 3.163 15.459 1.00 0.00 H new ATOM 1377 N HIS A 88 10.891 -3.169 11.233 1.00 0.00 N ATOM 1378 CA HIS A 88 11.208 -4.588 11.333 1.00 0.00 C ATOM 1379 C HIS A 88 12.283 -4.984 10.317 1.00 0.00 C ATOM 1380 O HIS A 88 12.957 -6.000 10.481 1.00 0.00 O ATOM 1381 CB HIS A 88 9.944 -5.440 11.145 1.00 0.00 C ATOM 1382 CG HIS A 88 9.579 -5.706 9.714 1.00 0.00 C ATOM 1383 ND1 HIS A 88 10.213 -6.422 8.755 1.00 0.00 N flip ATOM 1384 CD2 HIS A 88 8.430 -5.217 9.128 1.00 0.00 C flip ATOM 1385 CE1 HIS A 88 9.442 -6.354 7.620 1.00 0.00 C flip ATOM 1386 NE2 HIS A 88 8.374 -5.622 7.872 1.00 0.00 N flip ATOM 0 H HIS A 88 10.004 -2.965 10.772 1.00 0.00 H new ATOM 0 HA HIS A 88 11.603 -4.775 12.331 1.00 0.00 H new ATOM 0 HB2 HIS A 88 10.085 -6.394 11.654 1.00 0.00 H new ATOM 0 HB3 HIS A 88 9.108 -4.939 11.633 1.00 0.00 H new ATOM 0 HD1 HIS A 88 11.098 -6.919 8.857 1.00 0.00 H new ATOM 0 HD2 HIS A 88 7.692 -4.600 9.619 1.00 0.00 H new ATOM 0 HE1 HIS A 88 9.673 -6.823 6.675 1.00 0.00 H new ATOM 1395 N LYS A 89 12.438 -4.174 9.271 1.00 0.00 N ATOM 1396 CA LYS A 89 13.434 -4.444 8.238 1.00 0.00 C ATOM 1397 C LYS A 89 14.848 -4.323 8.795 1.00 0.00 C ATOM 1398 O LYS A 89 15.781 -4.944 8.285 1.00 0.00 O ATOM 1399 CB LYS A 89 13.256 -3.481 7.060 1.00 0.00 C ATOM 1400 CG LYS A 89 13.276 -4.170 5.704 1.00 0.00 C ATOM 1401 CD LYS A 89 14.667 -4.679 5.355 1.00 0.00 C ATOM 1402 CE LYS A 89 15.170 -4.085 4.050 1.00 0.00 C ATOM 1403 NZ LYS A 89 15.624 -2.675 4.221 1.00 0.00 N ATOM 0 H LYS A 89 11.888 -3.329 9.117 1.00 0.00 H new ATOM 0 HA LYS A 89 13.286 -5.466 7.890 1.00 0.00 H new ATOM 0 HB2 LYS A 89 12.311 -2.950 7.175 1.00 0.00 H new ATOM 0 HB3 LYS A 89 14.048 -2.733 7.090 1.00 0.00 H new ATOM 0 HG2 LYS A 89 12.573 -5.003 5.708 1.00 0.00 H new ATOM 0 HG3 LYS A 89 12.940 -3.473 4.936 1.00 0.00 H new ATOM 0 HD2 LYS A 89 15.359 -4.429 6.159 1.00 0.00 H new ATOM 0 HD3 LYS A 89 14.648 -5.766 5.277 1.00 0.00 H new ATOM 0 HE2 LYS A 89 15.994 -4.689 3.670 1.00 0.00 H new ATOM 0 HE3 LYS A 89 14.376 -4.123 3.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 15.960 -2.305 3.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 14.831 -2.094 4.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 16.398 -2.641 4.914 1.00 0.00 H new ATOM 1417 N ASP A 90 15.003 -3.524 9.847 1.00 0.00 N ATOM 1418 CA ASP A 90 16.308 -3.327 10.471 1.00 0.00 C ATOM 1419 C ASP A 90 16.887 -4.653 10.960 1.00 0.00 C ATOM 1420 O ASP A 90 18.102 -4.798 11.094 1.00 0.00 O ATOM 1421 CB ASP A 90 16.194 -2.343 11.638 1.00 0.00 C ATOM 1422 CG ASP A 90 17.220 -1.230 11.558 1.00 0.00 C ATOM 1423 OD1 ASP A 90 18.358 -1.438 12.026 1.00 0.00 O ATOM 1424 OD2 ASP A 90 16.884 -0.150 11.027 1.00 0.00 O ATOM 0 H ASP A 90 14.243 -3.003 10.285 1.00 0.00 H new ATOM 0 HA ASP A 90 16.983 -2.914 9.721 1.00 0.00 H new ATOM 0 HB2 ASP A 90 15.193 -1.911 11.649 1.00 0.00 H new ATOM 0 HB3 ASP A 90 16.319 -2.882 12.577 1.00 0.00 H new