USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 590 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 24 THR OG1 : rot 31:sc= 0.198 USER MOD Single : A 33 ASN :FLIP amide:sc= -0.868 F(o=-1.7!,f=-0.87) USER MOD Single : A 34 HIS :FLIP no HD1:sc= -0.226 F(o=-1.3,f=-0.23) USER MOD Single : A 35 ASN : amide:sc= -0.024 K(o=-0.024,f=-0.83) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 42 THR OG1 : rot 130:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 153:sc= 0.606 (180deg=0.158) USER MOD Single : A 49 TYR OH : rot 30:sc= -0.385 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.437 X(o=-0.44,f=-0.13) USER MOD Single : A 56 THR OG1 : rot 78:sc= 0.317 USER MOD Single : A 57 GLN : amide:sc= -0.0336 X(o=-0.034,f=-0.028) USER MOD Single : A 58 SER OG : rot -16:sc= 0.744 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot 11:sc= -0.412 USER MOD Single : A 67 GLN : amide:sc= 0.00256 X(o=0.0026,f=0) USER MOD Single : A 82 GLN : amide:sc= -0.181 X(o=-0.18,f=0) USER MOD Single : A 86 THR OG1 : rot 54:sc= -1.22 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl -138:sc= -0.117 (180deg=-2.58) USER MOD Single : A 91 HIS : no HD1:sc= -0.357 X(o=-0.36,f=-0.033) USER MOD Single : A 94 CYS SG : rot -8:sc= -1.6! USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 TYR OH : rot 180:sc= -1.03 USER MOD Single : A 103 GLN : amide:sc= -0.0892 X(o=-0.089,f=-0.0061) USER MOD ----------------------------------------------------------------- ATOM 54 N THR A 24 1.326 -9.392 0.353 1.00 0.00 N ATOM 55 CA THR A 24 1.368 -10.656 1.112 1.00 0.00 C ATOM 56 C THR A 24 1.405 -11.863 0.151 1.00 0.00 C ATOM 57 O THR A 24 0.421 -12.119 -0.549 1.00 0.00 O ATOM 58 CB THR A 24 0.114 -10.778 2.048 1.00 0.00 C ATOM 59 OG1 THR A 24 -0.060 -9.564 2.793 1.00 0.00 O ATOM 60 CG2 THR A 24 0.215 -11.963 3.028 1.00 0.00 C ATOM 0 HA THR A 24 2.272 -10.653 1.721 1.00 0.00 H new ATOM 0 HB THR A 24 -0.745 -10.957 1.402 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.271 -8.807 2.266 1.00 0.00 H new ATOM 0 HG21 THR A 24 -0.680 -11.998 3.650 1.00 0.00 H new ATOM 0 HG22 THR A 24 0.303 -12.893 2.466 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.093 -11.837 3.662 1.00 0.00 H new ATOM 68 N LEU A 25 2.543 -12.582 0.097 1.00 0.00 N ATOM 69 CA LEU A 25 2.664 -13.790 -0.738 1.00 0.00 C ATOM 70 C LEU A 25 2.088 -14.998 0.018 1.00 0.00 C ATOM 71 O LEU A 25 2.733 -15.566 0.907 1.00 0.00 O ATOM 72 CB LEU A 25 4.140 -14.028 -1.169 1.00 0.00 C ATOM 73 CG LEU A 25 4.748 -12.933 -2.109 1.00 0.00 C ATOM 74 CD1 LEU A 25 6.193 -13.292 -2.533 1.00 0.00 C ATOM 75 CD2 LEU A 25 3.845 -12.688 -3.350 1.00 0.00 C ATOM 0 H LEU A 25 3.387 -12.348 0.620 1.00 0.00 H new ATOM 0 HA LEU A 25 2.088 -13.651 -1.653 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.756 -14.097 -0.273 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.203 -14.992 -1.674 1.00 0.00 H new ATOM 0 HG LEU A 25 4.791 -12.003 -1.542 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.585 -12.511 -3.185 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.822 -13.375 -1.647 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.190 -14.243 -3.066 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.295 -11.923 -3.982 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.746 -13.614 -3.916 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.860 -12.355 -3.023 1.00 0.00 H new ATOM 87 N VAL A 26 0.849 -15.345 -0.341 1.00 0.00 N ATOM 88 CA VAL A 26 0.127 -16.499 0.199 1.00 0.00 C ATOM 89 C VAL A 26 0.321 -17.674 -0.760 1.00 0.00 C ATOM 90 O VAL A 26 -0.114 -17.618 -1.913 1.00 0.00 O ATOM 91 CB VAL A 26 -1.405 -16.182 0.360 1.00 0.00 C ATOM 92 CG1 VAL A 26 -2.204 -17.404 0.872 1.00 0.00 C ATOM 93 CG2 VAL A 26 -1.630 -14.947 1.268 1.00 0.00 C ATOM 0 H VAL A 26 0.309 -14.820 -1.029 1.00 0.00 H new ATOM 0 HA VAL A 26 0.518 -16.743 1.186 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.786 -15.945 -0.633 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.256 -17.137 0.967 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.101 -18.228 0.166 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.818 -17.710 1.844 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.699 -14.753 1.360 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.210 -15.140 2.255 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.140 -14.078 0.828 1.00 0.00 H new ATOM 103 N ARG A 27 0.981 -18.725 -0.273 1.00 0.00 N ATOM 104 CA ARG A 27 1.287 -19.928 -1.067 1.00 0.00 C ATOM 105 C ARG A 27 0.166 -20.965 -0.909 1.00 0.00 C ATOM 106 O ARG A 27 -0.745 -20.774 -0.093 1.00 0.00 O ATOM 107 CB ARG A 27 2.666 -20.493 -0.629 1.00 0.00 C ATOM 108 CG ARG A 27 3.850 -19.496 -0.841 1.00 0.00 C ATOM 109 CD ARG A 27 4.875 -19.504 0.315 1.00 0.00 C ATOM 110 NE ARG A 27 4.215 -19.202 1.607 1.00 0.00 N ATOM 111 CZ ARG A 27 4.819 -18.988 2.784 1.00 0.00 C ATOM 112 NH1 ARG A 27 6.140 -18.954 2.885 1.00 0.00 N ATOM 113 NH2 ARG A 27 4.077 -18.812 3.861 1.00 0.00 N ATOM 0 H ARG A 27 1.322 -18.772 0.687 1.00 0.00 H new ATOM 0 HA ARG A 27 1.344 -19.673 -2.125 1.00 0.00 H new ATOM 0 HB2 ARG A 27 2.618 -20.767 0.425 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.868 -21.407 -1.187 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.361 -19.743 -1.771 1.00 0.00 H new ATOM 0 HG3 ARG A 27 3.450 -18.488 -0.955 1.00 0.00 H new ATOM 0 HD2 ARG A 27 5.361 -20.478 0.369 1.00 0.00 H new ATOM 0 HD3 ARG A 27 5.656 -18.769 0.120 1.00 0.00 H new ATOM 0 HE ARG A 27 3.196 -19.152 1.600 1.00 0.00 H new ATOM 0 HH11 ARG A 27 6.719 -19.092 2.056 1.00 0.00 H new ATOM 0 HH12 ARG A 27 6.578 -18.790 3.791 1.00 0.00 H new ATOM 0 HH21 ARG A 27 3.060 -18.840 3.790 1.00 0.00 H new ATOM 0 HH22 ARG A 27 4.521 -18.648 4.765 1.00 0.00 H new ATOM 127 N ILE A 28 0.230 -22.057 -1.702 1.00 0.00 N ATOM 128 CA ILE A 28 -0.755 -23.160 -1.617 1.00 0.00 C ATOM 129 C ILE A 28 -0.711 -23.820 -0.221 1.00 0.00 C ATOM 130 O ILE A 28 -1.734 -24.260 0.283 1.00 0.00 O ATOM 131 CB ILE A 28 -0.549 -24.232 -2.755 1.00 0.00 C ATOM 132 CG1 ILE A 28 -1.715 -25.288 -2.775 1.00 0.00 C ATOM 133 CG2 ILE A 28 0.836 -24.918 -2.648 1.00 0.00 C ATOM 134 CD1 ILE A 28 -1.630 -26.306 -3.903 1.00 0.00 C ATOM 0 H ILE A 28 0.952 -22.199 -2.408 1.00 0.00 H new ATOM 0 HA ILE A 28 -1.743 -22.725 -1.766 1.00 0.00 H new ATOM 0 HB ILE A 28 -0.576 -23.701 -3.707 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -1.722 -25.820 -1.823 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.665 -24.759 -2.852 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.942 -25.650 -3.448 1.00 0.00 H new ATOM 0 HG22 ILE A 28 1.622 -24.168 -2.736 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.920 -25.420 -1.684 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.474 -26.993 -3.838 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.656 -25.789 -4.862 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.699 -26.866 -3.818 1.00 0.00 H new ATOM 146 N ALA A 29 0.488 -23.821 0.402 1.00 0.00 N ATOM 147 CA ALA A 29 0.689 -24.268 1.798 1.00 0.00 C ATOM 148 C ALA A 29 -0.271 -23.527 2.755 1.00 0.00 C ATOM 149 O ALA A 29 -1.033 -24.158 3.501 1.00 0.00 O ATOM 150 CB ALA A 29 2.159 -24.042 2.213 1.00 0.00 C ATOM 0 H ALA A 29 1.347 -23.510 -0.051 1.00 0.00 H new ATOM 0 HA ALA A 29 0.466 -25.333 1.861 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.302 -24.373 3.242 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.815 -24.612 1.554 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.400 -22.982 2.136 1.00 0.00 H new ATOM 156 N ASP A 30 -0.252 -22.180 2.658 1.00 0.00 N ATOM 157 CA ASP A 30 -1.109 -21.270 3.457 1.00 0.00 C ATOM 158 C ASP A 30 -2.590 -21.516 3.154 1.00 0.00 C ATOM 159 O ASP A 30 -3.419 -21.569 4.061 1.00 0.00 O ATOM 160 CB ASP A 30 -0.768 -19.785 3.158 1.00 0.00 C ATOM 161 CG ASP A 30 0.710 -19.449 3.350 1.00 0.00 C ATOM 162 OD1 ASP A 30 1.523 -19.865 2.510 1.00 0.00 O ATOM 163 OD2 ASP A 30 1.072 -18.801 4.350 1.00 0.00 O ATOM 0 H ASP A 30 0.366 -21.685 2.015 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.917 -21.477 4.510 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.055 -19.554 2.132 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.365 -19.145 3.808 1.00 0.00 H new ATOM 168 N LEU A 31 -2.877 -21.697 1.857 1.00 0.00 N ATOM 169 CA LEU A 31 -4.238 -21.894 1.327 1.00 0.00 C ATOM 170 C LEU A 31 -4.897 -23.147 1.947 1.00 0.00 C ATOM 171 O LEU A 31 -6.051 -23.101 2.392 1.00 0.00 O ATOM 172 CB LEU A 31 -4.164 -22.031 -0.222 1.00 0.00 C ATOM 173 CG LEU A 31 -5.520 -22.151 -0.993 1.00 0.00 C ATOM 174 CD1 LEU A 31 -6.340 -20.844 -0.900 1.00 0.00 C ATOM 175 CD2 LEU A 31 -5.283 -22.570 -2.469 1.00 0.00 C ATOM 0 H LEU A 31 -2.159 -21.711 1.133 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.851 -21.032 1.591 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.628 -21.166 -0.613 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.563 -22.910 -0.455 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.107 -22.935 -0.515 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.276 -20.962 -1.446 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.555 -20.623 0.145 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.768 -20.024 -1.333 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.241 -22.647 -2.984 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.664 -21.822 -2.964 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.778 -23.536 -2.497 1.00 0.00 H new ATOM 187 N GLU A 32 -4.116 -24.241 2.009 1.00 0.00 N ATOM 188 CA GLU A 32 -4.585 -25.548 2.497 1.00 0.00 C ATOM 189 C GLU A 32 -4.817 -25.539 4.017 1.00 0.00 C ATOM 190 O GLU A 32 -5.888 -25.959 4.485 1.00 0.00 O ATOM 191 CB GLU A 32 -3.583 -26.677 2.117 1.00 0.00 C ATOM 192 CG GLU A 32 -3.356 -26.871 0.601 1.00 0.00 C ATOM 193 CD GLU A 32 -4.653 -27.040 -0.211 1.00 0.00 C ATOM 194 OE1 GLU A 32 -5.200 -28.164 -0.253 1.00 0.00 O ATOM 195 OE2 GLU A 32 -5.142 -26.052 -0.807 1.00 0.00 O ATOM 0 H GLU A 32 -3.138 -24.242 1.720 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.540 -25.746 2.011 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.623 -26.463 2.588 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -3.942 -27.616 2.538 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -2.807 -26.013 0.214 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.727 -27.748 0.448 1.00 0.00 H new ATOM 202 N ASN A 33 -3.821 -25.035 4.785 1.00 0.00 N ATOM 203 CA ASN A 33 -3.869 -25.090 6.264 1.00 0.00 C ATOM 204 C ASN A 33 -4.910 -24.104 6.828 1.00 0.00 C ATOM 205 O ASN A 33 -5.543 -24.386 7.853 1.00 0.00 O ATOM 206 CB ASN A 33 -2.469 -24.870 6.930 1.00 0.00 C ATOM 207 CG ASN A 33 -1.941 -23.423 6.932 1.00 0.00 C ATOM 208 OD1 ASN A 33 -0.988 -23.130 6.082 1.00 0.00 O flip ATOM 209 ND2 ASN A 33 -2.349 -22.597 7.750 1.00 0.00 N flip ATOM 0 H ASN A 33 -2.984 -24.591 4.409 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.180 -26.103 6.521 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -2.521 -25.218 7.962 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -1.742 -25.500 6.417 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -3.092 -22.849 8.402 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -1.944 -21.661 7.775 1.00 0.00 H new ATOM 216 N HIS A 34 -5.084 -22.952 6.146 1.00 0.00 N ATOM 217 CA HIS A 34 -6.039 -21.909 6.569 1.00 0.00 C ATOM 218 C HIS A 34 -7.480 -22.359 6.277 1.00 0.00 C ATOM 219 O HIS A 34 -8.395 -22.066 7.046 1.00 0.00 O ATOM 220 CB HIS A 34 -5.731 -20.547 5.888 1.00 0.00 C ATOM 221 CG HIS A 34 -6.296 -19.352 6.621 1.00 0.00 C ATOM 222 ND1 HIS A 34 -7.530 -18.809 6.629 1.00 0.00 N flip ATOM 223 CD2 HIS A 34 -5.544 -18.579 7.480 1.00 0.00 C flip ATOM 224 CE1 HIS A 34 -7.501 -17.737 7.474 1.00 0.00 C flip ATOM 225 NE2 HIS A 34 -6.292 -17.616 7.975 1.00 0.00 N flip ATOM 0 H HIS A 34 -4.571 -22.721 5.295 1.00 0.00 H new ATOM 0 HA HIS A 34 -5.931 -21.765 7.644 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -4.651 -20.431 5.803 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -6.131 -20.561 4.874 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -4.501 -18.739 7.711 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -8.338 -17.091 7.695 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -5.986 -16.900 8.634 1.00 0.00 H new ATOM 234 N ASN A 35 -7.666 -23.077 5.158 1.00 0.00 N ATOM 235 CA ASN A 35 -8.975 -23.649 4.786 1.00 0.00 C ATOM 236 C ASN A 35 -9.356 -24.798 5.750 1.00 0.00 C ATOM 237 O ASN A 35 -10.533 -24.975 6.085 1.00 0.00 O ATOM 238 CB ASN A 35 -8.963 -24.135 3.310 1.00 0.00 C ATOM 239 CG ASN A 35 -10.335 -24.588 2.790 1.00 0.00 C ATOM 240 OD1 ASN A 35 -11.378 -24.095 3.221 1.00 0.00 O ATOM 241 ND2 ASN A 35 -10.340 -25.529 1.862 1.00 0.00 N ATOM 0 H ASN A 35 -6.922 -23.278 4.489 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.732 -22.869 4.873 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -8.594 -23.329 2.676 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.259 -24.962 3.216 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -11.225 -25.866 1.483 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.459 -25.918 1.525 1.00 0.00 H new ATOM 248 N ASN A 36 -8.335 -25.555 6.218 1.00 0.00 N ATOM 249 CA ASN A 36 -8.520 -26.634 7.219 1.00 0.00 C ATOM 250 C ASN A 36 -8.792 -26.030 8.623 1.00 0.00 C ATOM 251 O ASN A 36 -9.443 -26.649 9.469 1.00 0.00 O ATOM 252 CB ASN A 36 -7.276 -27.566 7.259 1.00 0.00 C ATOM 253 CG ASN A 36 -7.464 -28.801 8.162 1.00 0.00 C ATOM 254 OD1 ASN A 36 -8.565 -29.336 8.279 1.00 0.00 O ATOM 255 ND2 ASN A 36 -6.400 -29.257 8.808 1.00 0.00 N ATOM 0 H ASN A 36 -7.368 -25.437 5.916 1.00 0.00 H new ATOM 0 HA ASN A 36 -9.384 -27.230 6.925 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -7.047 -27.897 6.246 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.416 -26.996 7.610 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -6.484 -30.069 9.419 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -5.498 -28.795 8.694 1.00 0.00 H new ATOM 262 N ASP A 37 -8.282 -24.806 8.836 1.00 0.00 N ATOM 263 CA ASP A 37 -8.550 -23.983 10.041 1.00 0.00 C ATOM 264 C ASP A 37 -10.037 -23.566 10.095 1.00 0.00 C ATOM 265 O ASP A 37 -10.598 -23.373 11.177 1.00 0.00 O ATOM 266 CB ASP A 37 -7.587 -22.741 10.029 1.00 0.00 C ATOM 267 CG ASP A 37 -8.125 -21.463 10.707 1.00 0.00 C ATOM 268 OD1 ASP A 37 -7.964 -21.319 11.937 1.00 0.00 O ATOM 269 OD2 ASP A 37 -8.712 -20.598 10.005 1.00 0.00 O ATOM 0 H ASP A 37 -7.661 -24.347 8.169 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.356 -24.564 10.943 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.655 -23.024 10.519 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.344 -22.504 8.993 1.00 0.00 H new ATOM 274 N GLY A 38 -10.653 -23.450 8.914 1.00 0.00 N ATOM 275 CA GLY A 38 -12.039 -23.004 8.772 1.00 0.00 C ATOM 276 C GLY A 38 -12.125 -21.783 7.878 1.00 0.00 C ATOM 277 O GLY A 38 -13.175 -21.509 7.281 1.00 0.00 O ATOM 0 H GLY A 38 -10.200 -23.665 8.026 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -12.643 -23.809 8.354 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -12.453 -22.771 9.753 1.00 0.00 H new ATOM 281 N GLY A 39 -11.002 -21.044 7.800 1.00 0.00 N ATOM 282 CA GLY A 39 -10.888 -19.866 6.956 1.00 0.00 C ATOM 283 C GLY A 39 -10.868 -20.221 5.477 1.00 0.00 C ATOM 284 O GLY A 39 -9.791 -20.448 4.904 1.00 0.00 O ATOM 0 H GLY A 39 -10.154 -21.257 8.326 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.724 -19.195 7.156 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.977 -19.325 7.211 1.00 0.00 H new ATOM 288 N PHE A 40 -12.060 -20.272 4.858 1.00 0.00 N ATOM 289 CA PHE A 40 -12.214 -20.702 3.464 1.00 0.00 C ATOM 290 C PHE A 40 -11.741 -19.566 2.542 1.00 0.00 C ATOM 291 O PHE A 40 -12.389 -18.511 2.442 1.00 0.00 O ATOM 292 CB PHE A 40 -13.698 -21.087 3.169 1.00 0.00 C ATOM 293 CG PHE A 40 -13.918 -21.824 1.833 1.00 0.00 C ATOM 294 CD1 PHE A 40 -13.948 -21.138 0.618 1.00 0.00 C ATOM 295 CD2 PHE A 40 -14.095 -23.211 1.800 1.00 0.00 C ATOM 296 CE1 PHE A 40 -14.148 -21.804 -0.577 1.00 0.00 C ATOM 297 CE2 PHE A 40 -14.296 -23.877 0.603 1.00 0.00 C ATOM 298 CZ PHE A 40 -14.323 -23.173 -0.582 1.00 0.00 C ATOM 0 H PHE A 40 -12.938 -20.017 5.310 1.00 0.00 H new ATOM 0 HA PHE A 40 -11.607 -21.589 3.281 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -14.064 -21.716 3.980 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -14.302 -20.180 3.172 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -13.812 -20.067 0.611 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -14.075 -23.771 2.723 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -14.167 -21.253 -1.506 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -14.432 -24.948 0.598 1.00 0.00 H new ATOM 0 HZ PHE A 40 -14.481 -23.693 -1.515 1.00 0.00 H new ATOM 308 N TRP A 41 -10.575 -19.790 1.923 1.00 0.00 N ATOM 309 CA TRP A 41 -9.984 -18.889 0.926 1.00 0.00 C ATOM 310 C TRP A 41 -10.164 -19.470 -0.492 1.00 0.00 C ATOM 311 O TRP A 41 -10.493 -20.652 -0.658 1.00 0.00 O ATOM 312 CB TRP A 41 -8.476 -18.659 1.238 1.00 0.00 C ATOM 313 CG TRP A 41 -8.166 -17.716 2.392 1.00 0.00 C ATOM 314 CD1 TRP A 41 -9.031 -16.886 3.058 1.00 0.00 C ATOM 315 CD2 TRP A 41 -6.873 -17.491 2.986 1.00 0.00 C ATOM 316 NE1 TRP A 41 -8.354 -16.163 4.011 1.00 0.00 N ATOM 317 CE2 TRP A 41 -7.036 -16.517 3.987 1.00 0.00 C ATOM 318 CE3 TRP A 41 -5.594 -18.017 2.766 1.00 0.00 C ATOM 319 CZ2 TRP A 41 -5.976 -16.058 4.763 1.00 0.00 C ATOM 320 CZ3 TRP A 41 -4.544 -17.563 3.542 1.00 0.00 C ATOM 321 CH2 TRP A 41 -4.740 -16.589 4.529 1.00 0.00 C ATOM 0 H TRP A 41 -10.006 -20.617 2.104 1.00 0.00 H new ATOM 0 HA TRP A 41 -10.496 -17.928 0.971 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -8.019 -19.625 1.452 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -7.995 -18.271 0.340 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -10.090 -16.811 2.862 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -8.770 -15.473 4.636 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -5.431 -18.764 2.003 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -6.126 -15.307 5.525 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -3.555 -17.967 3.384 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -3.898 -16.252 5.116 1.00 0.00 H new ATOM 332 N THR A 42 -9.928 -18.621 -1.501 1.00 0.00 N ATOM 333 CA THR A 42 -10.049 -18.974 -2.922 1.00 0.00 C ATOM 334 C THR A 42 -9.007 -18.164 -3.720 1.00 0.00 C ATOM 335 O THR A 42 -8.769 -16.989 -3.421 1.00 0.00 O ATOM 336 CB THR A 42 -11.510 -18.710 -3.454 1.00 0.00 C ATOM 337 OG1 THR A 42 -11.666 -19.236 -4.784 1.00 0.00 O ATOM 338 CG2 THR A 42 -11.898 -17.212 -3.448 1.00 0.00 C ATOM 0 H THR A 42 -9.643 -17.653 -1.350 1.00 0.00 H new ATOM 0 HA THR A 42 -9.857 -20.039 -3.050 1.00 0.00 H new ATOM 0 HB THR A 42 -12.180 -19.224 -2.765 1.00 0.00 H new ATOM 0 HG1 THR A 42 -12.474 -19.789 -4.824 1.00 0.00 H new ATOM 0 HG21 THR A 42 -12.914 -17.098 -3.825 1.00 0.00 H new ATOM 0 HG22 THR A 42 -11.843 -16.826 -2.430 1.00 0.00 H new ATOM 0 HG23 THR A 42 -11.210 -16.655 -4.084 1.00 0.00 H new ATOM 346 N VAL A 43 -8.355 -18.800 -4.707 1.00 0.00 N ATOM 347 CA VAL A 43 -7.345 -18.131 -5.549 1.00 0.00 C ATOM 348 C VAL A 43 -7.983 -17.686 -6.874 1.00 0.00 C ATOM 349 O VAL A 43 -8.357 -18.522 -7.708 1.00 0.00 O ATOM 350 CB VAL A 43 -6.106 -19.058 -5.821 1.00 0.00 C ATOM 351 CG1 VAL A 43 -5.099 -18.383 -6.787 1.00 0.00 C ATOM 352 CG2 VAL A 43 -5.423 -19.448 -4.489 1.00 0.00 C ATOM 0 H VAL A 43 -8.509 -19.780 -4.943 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.984 -17.256 -5.009 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.462 -19.968 -6.305 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.253 -19.050 -6.955 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.591 -18.174 -7.737 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.744 -17.450 -6.349 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.566 -20.090 -4.694 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.087 -18.547 -3.975 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.134 -19.982 -3.858 1.00 0.00 H new ATOM 362 N ILE A 44 -8.110 -16.357 -7.048 1.00 0.00 N ATOM 363 CA ILE A 44 -8.712 -15.721 -8.238 1.00 0.00 C ATOM 364 C ILE A 44 -7.885 -14.464 -8.586 1.00 0.00 C ATOM 365 O ILE A 44 -7.455 -13.750 -7.679 1.00 0.00 O ATOM 366 CB ILE A 44 -10.222 -15.314 -7.983 1.00 0.00 C ATOM 367 CG1 ILE A 44 -11.089 -16.559 -7.573 1.00 0.00 C ATOM 368 CG2 ILE A 44 -10.830 -14.601 -9.218 1.00 0.00 C ATOM 369 CD1 ILE A 44 -12.533 -16.262 -7.211 1.00 0.00 C ATOM 0 H ILE A 44 -7.792 -15.682 -6.353 1.00 0.00 H new ATOM 0 HA ILE A 44 -8.701 -16.434 -9.063 1.00 0.00 H new ATOM 0 HB ILE A 44 -10.233 -14.610 -7.151 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -11.079 -17.273 -8.396 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -10.613 -17.047 -6.722 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -11.867 -14.335 -9.011 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -10.260 -13.698 -9.434 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -10.792 -15.269 -10.079 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -13.039 -17.190 -6.944 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -12.562 -15.576 -6.364 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -13.036 -15.806 -8.064 1.00 0.00 H new ATOM 381 N ASP A 45 -7.645 -14.231 -9.899 1.00 0.00 N ATOM 382 CA ASP A 45 -6.963 -13.009 -10.434 1.00 0.00 C ATOM 383 C ASP A 45 -5.494 -12.912 -9.918 1.00 0.00 C ATOM 384 O ASP A 45 -4.913 -11.828 -9.796 1.00 0.00 O ATOM 385 CB ASP A 45 -7.825 -11.742 -10.077 1.00 0.00 C ATOM 386 CG ASP A 45 -7.301 -10.407 -10.642 1.00 0.00 C ATOM 387 OD1 ASP A 45 -7.303 -10.235 -11.879 1.00 0.00 O ATOM 388 OD2 ASP A 45 -6.876 -9.532 -9.853 1.00 0.00 O ATOM 0 H ASP A 45 -7.919 -14.887 -10.630 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.890 -13.070 -11.520 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -8.840 -11.899 -10.443 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.886 -11.659 -8.992 1.00 0.00 H new ATOM 393 N GLY A 46 -4.872 -14.088 -9.684 1.00 0.00 N ATOM 394 CA GLY A 46 -3.505 -14.171 -9.144 1.00 0.00 C ATOM 395 C GLY A 46 -3.398 -13.702 -7.692 1.00 0.00 C ATOM 396 O GLY A 46 -2.304 -13.422 -7.203 1.00 0.00 O ATOM 0 H GLY A 46 -5.301 -14.996 -9.863 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.157 -15.202 -9.212 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.840 -13.569 -9.763 1.00 0.00 H new ATOM 400 N LYS A 47 -4.555 -13.594 -7.015 1.00 0.00 N ATOM 401 CA LYS A 47 -4.673 -13.138 -5.621 1.00 0.00 C ATOM 402 C LYS A 47 -5.292 -14.270 -4.796 1.00 0.00 C ATOM 403 O LYS A 47 -5.670 -15.317 -5.338 1.00 0.00 O ATOM 404 CB LYS A 47 -5.597 -11.882 -5.526 1.00 0.00 C ATOM 405 CG LYS A 47 -5.373 -10.797 -6.597 1.00 0.00 C ATOM 406 CD LYS A 47 -4.071 -9.998 -6.408 1.00 0.00 C ATOM 407 CE LYS A 47 -3.799 -9.056 -7.592 1.00 0.00 C ATOM 408 NZ LYS A 47 -4.976 -8.214 -7.933 1.00 0.00 N ATOM 0 H LYS A 47 -5.455 -13.827 -7.434 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.685 -12.873 -5.245 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -6.634 -12.213 -5.584 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.461 -11.429 -4.544 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.360 -11.267 -7.580 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -6.217 -10.107 -6.584 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.132 -9.416 -5.488 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.235 -10.688 -6.294 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.953 -8.412 -7.352 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.514 -9.646 -8.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.654 -7.330 -8.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.591 -8.729 -8.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.508 -7.994 -7.067 1.00 0.00 H new ATOM 422 N VAL A 48 -5.409 -14.046 -3.483 1.00 0.00 N ATOM 423 CA VAL A 48 -6.140 -14.937 -2.573 1.00 0.00 C ATOM 424 C VAL A 48 -7.194 -14.104 -1.826 1.00 0.00 C ATOM 425 O VAL A 48 -6.840 -13.184 -1.079 1.00 0.00 O ATOM 426 CB VAL A 48 -5.188 -15.659 -1.545 1.00 0.00 C ATOM 427 CG1 VAL A 48 -5.968 -16.635 -0.630 1.00 0.00 C ATOM 428 CG2 VAL A 48 -4.040 -16.390 -2.273 1.00 0.00 C ATOM 0 H VAL A 48 -4.997 -13.237 -3.018 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.613 -15.722 -3.163 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.754 -14.888 -0.909 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.277 -17.113 0.065 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.723 -16.084 -0.069 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.454 -17.396 -1.240 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.398 -16.880 -1.541 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.455 -17.138 -2.949 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.455 -15.670 -2.845 1.00 0.00 H new ATOM 438 N TYR A 49 -8.475 -14.417 -2.069 1.00 0.00 N ATOM 439 CA TYR A 49 -9.628 -13.752 -1.436 1.00 0.00 C ATOM 440 C TYR A 49 -10.278 -14.707 -0.426 1.00 0.00 C ATOM 441 O TYR A 49 -10.077 -15.914 -0.509 1.00 0.00 O ATOM 442 CB TYR A 49 -10.682 -13.352 -2.505 1.00 0.00 C ATOM 443 CG TYR A 49 -10.188 -12.369 -3.582 1.00 0.00 C ATOM 444 CD1 TYR A 49 -9.513 -12.820 -4.721 1.00 0.00 C ATOM 445 CD2 TYR A 49 -10.409 -10.993 -3.466 1.00 0.00 C ATOM 446 CE1 TYR A 49 -9.088 -11.934 -5.692 1.00 0.00 C ATOM 447 CE2 TYR A 49 -9.981 -10.116 -4.438 1.00 0.00 C ATOM 448 CZ TYR A 49 -9.318 -10.589 -5.544 1.00 0.00 C ATOM 449 OH TYR A 49 -8.879 -9.710 -6.508 1.00 0.00 O ATOM 0 H TYR A 49 -8.746 -15.152 -2.722 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.276 -12.853 -0.930 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -11.036 -14.257 -2.998 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -11.539 -12.909 -1.998 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -9.321 -13.876 -4.843 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -10.925 -10.611 -2.598 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -8.574 -12.300 -6.569 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -10.167 -9.057 -4.331 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.875 -10.156 -7.380 1.00 0.00 H new ATOM 459 N ASP A 50 -11.048 -14.168 0.532 1.00 0.00 N ATOM 460 CA ASP A 50 -11.868 -14.998 1.443 1.00 0.00 C ATOM 461 C ASP A 50 -13.270 -15.203 0.851 1.00 0.00 C ATOM 462 O ASP A 50 -13.705 -14.451 -0.034 1.00 0.00 O ATOM 463 CB ASP A 50 -11.973 -14.373 2.870 1.00 0.00 C ATOM 464 CG ASP A 50 -12.781 -13.060 2.929 1.00 0.00 C ATOM 465 OD1 ASP A 50 -14.025 -13.125 3.004 1.00 0.00 O ATOM 466 OD2 ASP A 50 -12.173 -11.972 2.919 1.00 0.00 O ATOM 0 H ASP A 50 -11.123 -13.165 0.700 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.371 -15.963 1.544 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.433 -15.100 3.539 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.968 -14.185 3.247 1.00 0.00 H new ATOM 471 N ILE A 51 -13.955 -16.234 1.354 1.00 0.00 N ATOM 472 CA ILE A 51 -15.362 -16.526 1.028 1.00 0.00 C ATOM 473 C ILE A 51 -16.216 -16.516 2.318 1.00 0.00 C ATOM 474 O ILE A 51 -17.414 -16.207 2.274 1.00 0.00 O ATOM 475 CB ILE A 51 -15.482 -17.906 0.257 1.00 0.00 C ATOM 476 CG1 ILE A 51 -14.847 -17.794 -1.175 1.00 0.00 C ATOM 477 CG2 ILE A 51 -16.938 -18.452 0.178 1.00 0.00 C ATOM 478 CD1 ILE A 51 -15.479 -16.737 -2.074 1.00 0.00 C ATOM 0 H ILE A 51 -13.546 -16.901 2.008 1.00 0.00 H new ATOM 0 HA ILE A 51 -15.743 -15.750 0.365 1.00 0.00 H new ATOM 0 HB ILE A 51 -14.922 -18.634 0.843 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -13.785 -17.573 -1.070 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -14.924 -18.763 -1.668 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -16.943 -19.398 -0.363 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -17.323 -18.608 1.186 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -17.569 -17.732 -0.344 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -14.975 -16.733 -3.041 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -16.535 -16.965 -2.216 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -15.379 -15.756 -1.609 1.00 0.00 H new ATOM 490 N LYS A 52 -15.576 -16.812 3.467 1.00 0.00 N ATOM 491 CA LYS A 52 -16.272 -16.932 4.767 1.00 0.00 C ATOM 492 C LYS A 52 -16.818 -15.566 5.261 1.00 0.00 C ATOM 493 O LYS A 52 -17.963 -15.482 5.702 1.00 0.00 O ATOM 494 CB LYS A 52 -15.358 -17.576 5.841 1.00 0.00 C ATOM 495 CG LYS A 52 -14.033 -16.828 6.118 1.00 0.00 C ATOM 496 CD LYS A 52 -13.350 -17.303 7.415 1.00 0.00 C ATOM 497 CE LYS A 52 -14.150 -16.965 8.686 1.00 0.00 C ATOM 498 NZ LYS A 52 -13.504 -17.504 9.908 1.00 0.00 N ATOM 0 H LYS A 52 -14.570 -16.974 3.522 1.00 0.00 H new ATOM 0 HA LYS A 52 -17.126 -17.590 4.607 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -15.917 -17.648 6.774 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -15.123 -18.594 5.531 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -13.354 -16.975 5.278 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -14.230 -15.758 6.185 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -13.201 -18.382 7.364 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -12.362 -16.848 7.485 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -14.249 -15.883 8.775 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -15.158 -17.371 8.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -14.074 -17.254 10.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -13.432 -18.539 9.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -12.552 -17.097 10.006 1.00 0.00 H new ATOM 512 N ASP A 53 -15.986 -14.510 5.209 1.00 0.00 N ATOM 513 CA ASP A 53 -16.404 -13.144 5.595 1.00 0.00 C ATOM 514 C ASP A 53 -17.260 -12.517 4.473 1.00 0.00 C ATOM 515 O ASP A 53 -18.180 -11.752 4.739 1.00 0.00 O ATOM 516 CB ASP A 53 -15.165 -12.265 5.919 1.00 0.00 C ATOM 517 CG ASP A 53 -15.532 -10.887 6.513 1.00 0.00 C ATOM 518 OD1 ASP A 53 -15.822 -10.813 7.728 1.00 0.00 O ATOM 519 OD2 ASP A 53 -15.520 -9.871 5.783 1.00 0.00 O ATOM 0 H ASP A 53 -15.015 -14.574 4.902 1.00 0.00 H new ATOM 0 HA ASP A 53 -17.013 -13.201 6.497 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -14.525 -12.797 6.622 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -14.585 -12.117 5.008 1.00 0.00 H new ATOM 524 N PHE A 54 -16.922 -12.888 3.221 1.00 0.00 N ATOM 525 CA PHE A 54 -17.598 -12.448 1.979 1.00 0.00 C ATOM 526 C PHE A 54 -19.118 -12.695 2.035 1.00 0.00 C ATOM 527 O PHE A 54 -19.922 -11.796 1.758 1.00 0.00 O ATOM 528 CB PHE A 54 -16.944 -13.212 0.789 1.00 0.00 C ATOM 529 CG PHE A 54 -17.459 -12.879 -0.615 1.00 0.00 C ATOM 530 CD1 PHE A 54 -18.583 -13.520 -1.145 1.00 0.00 C ATOM 531 CD2 PHE A 54 -16.807 -11.944 -1.415 1.00 0.00 C ATOM 532 CE1 PHE A 54 -19.034 -13.231 -2.419 1.00 0.00 C ATOM 533 CE2 PHE A 54 -17.262 -11.660 -2.688 1.00 0.00 C ATOM 534 CZ PHE A 54 -18.372 -12.305 -3.189 1.00 0.00 C ATOM 0 H PHE A 54 -16.145 -13.523 3.039 1.00 0.00 H new ATOM 0 HA PHE A 54 -17.473 -11.373 1.853 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -15.871 -13.020 0.811 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -17.080 -14.280 0.956 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -19.107 -14.253 -0.549 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -15.934 -11.434 -1.035 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -19.907 -13.733 -2.810 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -16.746 -10.929 -3.293 1.00 0.00 H new ATOM 0 HZ PHE A 54 -18.722 -12.083 -4.186 1.00 0.00 H new ATOM 544 N GLN A 55 -19.485 -13.928 2.403 1.00 0.00 N ATOM 545 CA GLN A 55 -20.894 -14.359 2.505 1.00 0.00 C ATOM 546 C GLN A 55 -21.617 -13.635 3.668 1.00 0.00 C ATOM 547 O GLN A 55 -22.838 -13.434 3.629 1.00 0.00 O ATOM 548 CB GLN A 55 -20.969 -15.899 2.655 1.00 0.00 C ATOM 549 CG GLN A 55 -20.332 -16.436 3.951 1.00 0.00 C ATOM 550 CD GLN A 55 -20.211 -17.956 4.005 1.00 0.00 C ATOM 551 OE1 GLN A 55 -21.096 -18.651 4.500 1.00 0.00 O ATOM 552 NE2 GLN A 55 -19.116 -18.481 3.479 1.00 0.00 N ATOM 0 H GLN A 55 -18.816 -14.660 2.640 1.00 0.00 H new ATOM 0 HA GLN A 55 -21.412 -14.082 1.587 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -22.014 -16.206 2.622 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -20.474 -16.361 1.801 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -19.339 -16.000 4.063 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -20.926 -16.100 4.801 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -18.402 -17.874 3.077 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -18.986 -19.493 3.476 1.00 0.00 H new ATOM 561 N THR A 56 -20.853 -13.249 4.706 1.00 0.00 N ATOM 562 CA THR A 56 -21.377 -12.477 5.846 1.00 0.00 C ATOM 563 C THR A 56 -21.651 -11.007 5.415 1.00 0.00 C ATOM 564 O THR A 56 -22.594 -10.366 5.891 1.00 0.00 O ATOM 565 CB THR A 56 -20.379 -12.523 7.058 1.00 0.00 C ATOM 566 OG1 THR A 56 -19.774 -13.827 7.148 1.00 0.00 O ATOM 567 CG2 THR A 56 -21.073 -12.211 8.400 1.00 0.00 C ATOM 0 H THR A 56 -19.858 -13.463 4.778 1.00 0.00 H new ATOM 0 HA THR A 56 -22.316 -12.928 6.168 1.00 0.00 H new ATOM 0 HB THR A 56 -19.624 -11.758 6.876 1.00 0.00 H new ATOM 0 HG1 THR A 56 -19.071 -13.909 6.470 1.00 0.00 H new ATOM 0 HG21 THR A 56 -20.341 -12.255 9.207 1.00 0.00 H new ATOM 0 HG22 THR A 56 -21.510 -11.213 8.360 1.00 0.00 H new ATOM 0 HG23 THR A 56 -21.859 -12.944 8.582 1.00 0.00 H new ATOM 575 N GLN A 57 -20.804 -10.498 4.488 1.00 0.00 N ATOM 576 CA GLN A 57 -20.918 -9.139 3.917 1.00 0.00 C ATOM 577 C GLN A 57 -22.090 -9.033 2.914 1.00 0.00 C ATOM 578 O GLN A 57 -22.689 -7.962 2.761 1.00 0.00 O ATOM 579 CB GLN A 57 -19.580 -8.733 3.231 1.00 0.00 C ATOM 580 CG GLN A 57 -18.373 -8.607 4.182 1.00 0.00 C ATOM 581 CD GLN A 57 -18.547 -7.511 5.237 1.00 0.00 C ATOM 582 OE1 GLN A 57 -18.203 -6.353 5.009 1.00 0.00 O ATOM 583 NE2 GLN A 57 -19.082 -7.866 6.397 1.00 0.00 N ATOM 0 H GLN A 57 -20.016 -11.026 4.114 1.00 0.00 H new ATOM 0 HA GLN A 57 -21.126 -8.451 4.737 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -19.344 -9.471 2.464 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -19.724 -7.780 2.723 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -18.212 -9.562 4.683 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -17.477 -8.399 3.596 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -19.357 -8.835 6.556 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -19.218 -7.170 7.130 1.00 0.00 H new ATOM 592 N SER A 58 -22.421 -10.157 2.243 1.00 0.00 N ATOM 593 CA SER A 58 -23.542 -10.217 1.274 1.00 0.00 C ATOM 594 C SER A 58 -24.917 -10.203 1.971 1.00 0.00 C ATOM 595 O SER A 58 -25.950 -10.100 1.307 1.00 0.00 O ATOM 596 CB SER A 58 -23.395 -11.459 0.352 1.00 0.00 C ATOM 597 OG SER A 58 -23.416 -12.678 1.077 1.00 0.00 O ATOM 0 H SER A 58 -21.926 -11.042 2.354 1.00 0.00 H new ATOM 0 HA SER A 58 -23.492 -9.318 0.660 1.00 0.00 H new ATOM 0 HB2 SER A 58 -24.202 -11.462 -0.381 1.00 0.00 H new ATOM 0 HB3 SER A 58 -22.460 -11.386 -0.204 1.00 0.00 H new ATOM 0 HG SER A 58 -23.266 -12.496 2.028 1.00 0.00 H new ATOM 603 N LEU A 59 -24.911 -10.321 3.314 1.00 0.00 N ATOM 604 CA LEU A 59 -26.133 -10.253 4.142 1.00 0.00 C ATOM 605 C LEU A 59 -26.613 -8.793 4.335 1.00 0.00 C ATOM 606 O LEU A 59 -27.732 -8.575 4.819 1.00 0.00 O ATOM 607 CB LEU A 59 -25.887 -10.928 5.521 1.00 0.00 C ATOM 608 CG LEU A 59 -25.493 -12.443 5.491 1.00 0.00 C ATOM 609 CD1 LEU A 59 -25.174 -12.965 6.911 1.00 0.00 C ATOM 610 CD2 LEU A 59 -26.594 -13.298 4.814 1.00 0.00 C ATOM 0 H LEU A 59 -24.059 -10.466 3.856 1.00 0.00 H new ATOM 0 HA LEU A 59 -26.921 -10.792 3.616 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -25.098 -10.379 6.035 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -26.791 -10.821 6.120 1.00 0.00 H new ATOM 0 HG LEU A 59 -24.588 -12.537 4.891 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -24.904 -14.020 6.859 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -24.342 -12.398 7.329 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -26.051 -12.846 7.548 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -26.290 -14.345 4.809 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -27.527 -13.194 5.367 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -26.740 -12.958 3.789 1.00 0.00 H new ATOM 622 N THR A 60 -25.761 -7.795 3.975 1.00 0.00 N ATOM 623 CA THR A 60 -26.118 -6.362 4.074 1.00 0.00 C ATOM 624 C THR A 60 -26.940 -5.936 2.843 1.00 0.00 C ATOM 625 O THR A 60 -26.554 -6.233 1.708 1.00 0.00 O ATOM 626 CB THR A 60 -24.843 -5.461 4.207 1.00 0.00 C ATOM 627 OG1 THR A 60 -24.034 -5.916 5.299 1.00 0.00 O ATOM 628 CG2 THR A 60 -25.193 -3.970 4.430 1.00 0.00 C ATOM 0 H THR A 60 -24.822 -7.962 3.614 1.00 0.00 H new ATOM 0 HA THR A 60 -26.718 -6.228 4.974 1.00 0.00 H new ATOM 0 HB THR A 60 -24.298 -5.542 3.266 1.00 0.00 H new ATOM 0 HG1 THR A 60 -23.238 -5.349 5.375 1.00 0.00 H new ATOM 0 HG21 THR A 60 -24.274 -3.389 4.516 1.00 0.00 H new ATOM 0 HG22 THR A 60 -25.777 -3.603 3.586 1.00 0.00 H new ATOM 0 HG23 THR A 60 -25.775 -3.866 5.346 1.00 0.00 H new ATOM 636 N GLU A 61 -28.068 -5.236 3.087 1.00 0.00 N ATOM 637 CA GLU A 61 -28.993 -4.774 2.025 1.00 0.00 C ATOM 638 C GLU A 61 -28.344 -3.688 1.142 1.00 0.00 C ATOM 639 O GLU A 61 -28.645 -3.577 -0.052 1.00 0.00 O ATOM 640 CB GLU A 61 -30.307 -4.238 2.664 1.00 0.00 C ATOM 641 CG GLU A 61 -30.135 -2.942 3.497 1.00 0.00 C ATOM 642 CD GLU A 61 -31.439 -2.417 4.112 1.00 0.00 C ATOM 643 OE1 GLU A 61 -32.252 -1.819 3.374 1.00 0.00 O ATOM 644 OE2 GLU A 61 -31.648 -2.581 5.335 1.00 0.00 O ATOM 0 H GLU A 61 -28.365 -4.974 4.027 1.00 0.00 H new ATOM 0 HA GLU A 61 -29.225 -5.625 1.384 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -31.032 -4.052 1.871 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -30.727 -5.013 3.305 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -29.418 -3.129 4.296 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -29.708 -2.167 2.860 1.00 0.00 H new ATOM 651 N ASN A 62 -27.442 -2.902 1.753 1.00 0.00 N ATOM 652 CA ASN A 62 -26.745 -1.792 1.097 1.00 0.00 C ATOM 653 C ASN A 62 -25.255 -2.154 0.980 1.00 0.00 C ATOM 654 O ASN A 62 -24.416 -1.688 1.754 1.00 0.00 O ATOM 655 CB ASN A 62 -26.978 -0.477 1.896 1.00 0.00 C ATOM 656 CG ASN A 62 -26.395 0.767 1.215 1.00 0.00 C ATOM 657 OD1 ASN A 62 -25.254 1.162 1.464 1.00 0.00 O ATOM 658 ND2 ASN A 62 -27.170 1.382 0.336 1.00 0.00 N ATOM 0 H ASN A 62 -27.175 -3.025 2.730 1.00 0.00 H new ATOM 0 HA ASN A 62 -27.135 -1.624 0.093 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -28.049 -0.334 2.040 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -26.535 -0.580 2.886 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -26.827 2.207 -0.157 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -28.110 1.031 0.151 1.00 0.00 H new ATOM 665 N SER A 63 -24.960 -3.066 0.043 1.00 0.00 N ATOM 666 CA SER A 63 -23.590 -3.526 -0.264 1.00 0.00 C ATOM 667 C SER A 63 -23.497 -3.948 -1.734 1.00 0.00 C ATOM 668 O SER A 63 -24.516 -4.164 -2.400 1.00 0.00 O ATOM 669 CB SER A 63 -23.172 -4.705 0.667 1.00 0.00 C ATOM 670 OG SER A 63 -22.913 -4.263 1.984 1.00 0.00 O ATOM 0 H SER A 63 -25.673 -3.514 -0.533 1.00 0.00 H new ATOM 0 HA SER A 63 -22.903 -2.699 -0.086 1.00 0.00 H new ATOM 0 HB2 SER A 63 -23.963 -5.454 0.683 1.00 0.00 H new ATOM 0 HB3 SER A 63 -22.283 -5.190 0.264 1.00 0.00 H new ATOM 0 HG SER A 63 -23.210 -3.334 2.082 1.00 0.00 H new ATOM 676 N ILE A 64 -22.253 -4.087 -2.221 1.00 0.00 N ATOM 677 CA ILE A 64 -21.972 -4.542 -3.593 1.00 0.00 C ATOM 678 C ILE A 64 -22.390 -6.013 -3.789 1.00 0.00 C ATOM 679 O ILE A 64 -22.677 -6.442 -4.898 1.00 0.00 O ATOM 680 CB ILE A 64 -20.446 -4.391 -3.962 1.00 0.00 C ATOM 681 CG1 ILE A 64 -19.529 -5.333 -3.101 1.00 0.00 C ATOM 682 CG2 ILE A 64 -19.997 -2.914 -3.832 1.00 0.00 C ATOM 683 CD1 ILE A 64 -18.219 -5.721 -3.761 1.00 0.00 C ATOM 0 H ILE A 64 -21.415 -3.887 -1.676 1.00 0.00 H new ATOM 0 HA ILE A 64 -22.558 -3.905 -4.255 1.00 0.00 H new ATOM 0 HB ILE A 64 -20.333 -4.701 -5.001 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -19.310 -4.838 -2.155 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -20.084 -6.241 -2.865 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -18.941 -2.830 -4.091 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -20.586 -2.294 -4.507 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -20.147 -2.577 -2.806 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -17.654 -6.371 -3.093 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -18.423 -6.248 -4.693 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -17.638 -4.823 -3.971 1.00 0.00 H new ATOM 695 N LEU A 65 -22.408 -6.770 -2.679 1.00 0.00 N ATOM 696 CA LEU A 65 -22.714 -8.209 -2.673 1.00 0.00 C ATOM 697 C LEU A 65 -24.199 -8.471 -2.363 1.00 0.00 C ATOM 698 O LEU A 65 -24.609 -9.628 -2.268 1.00 0.00 O ATOM 699 CB LEU A 65 -21.815 -8.926 -1.638 1.00 0.00 C ATOM 700 CG LEU A 65 -20.281 -8.727 -1.794 1.00 0.00 C ATOM 701 CD1 LEU A 65 -19.508 -9.478 -0.685 1.00 0.00 C ATOM 702 CD2 LEU A 65 -19.800 -9.132 -3.210 1.00 0.00 C ATOM 0 H LEU A 65 -22.208 -6.395 -1.752 1.00 0.00 H new ATOM 0 HA LEU A 65 -22.512 -8.605 -3.668 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -22.103 -8.587 -0.643 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -22.027 -9.994 -1.684 1.00 0.00 H new ATOM 0 HG LEU A 65 -20.067 -7.665 -1.677 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -18.437 -9.322 -0.818 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -19.812 -9.099 0.291 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -19.729 -10.544 -0.745 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -18.723 -8.981 -3.286 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -20.032 -10.182 -3.387 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -20.306 -8.518 -3.955 1.00 0.00 H new ATOM 714 N ALA A 66 -24.994 -7.395 -2.203 1.00 0.00 N ATOM 715 CA ALA A 66 -26.456 -7.494 -1.973 1.00 0.00 C ATOM 716 C ALA A 66 -27.173 -7.947 -3.259 1.00 0.00 C ATOM 717 O ALA A 66 -28.167 -8.680 -3.216 1.00 0.00 O ATOM 718 CB ALA A 66 -27.009 -6.147 -1.483 1.00 0.00 C ATOM 0 H ALA A 66 -24.647 -6.436 -2.229 1.00 0.00 H new ATOM 0 HA ALA A 66 -26.640 -8.241 -1.201 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -28.083 -6.233 -1.318 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -26.519 -5.871 -0.549 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -26.818 -5.380 -2.234 1.00 0.00 H new ATOM 724 N GLN A 67 -26.632 -7.494 -4.404 1.00 0.00 N ATOM 725 CA GLN A 67 -27.077 -7.921 -5.751 1.00 0.00 C ATOM 726 C GLN A 67 -26.623 -9.378 -6.034 1.00 0.00 C ATOM 727 O GLN A 67 -27.212 -10.071 -6.871 1.00 0.00 O ATOM 728 CB GLN A 67 -26.494 -6.945 -6.815 1.00 0.00 C ATOM 729 CG GLN A 67 -24.957 -7.026 -6.981 1.00 0.00 C ATOM 730 CD GLN A 67 -24.343 -5.861 -7.756 1.00 0.00 C ATOM 731 OE1 GLN A 67 -24.240 -5.890 -8.981 1.00 0.00 O ATOM 732 NE2 GLN A 67 -23.913 -4.827 -7.045 1.00 0.00 N ATOM 0 H GLN A 67 -25.869 -6.817 -4.425 1.00 0.00 H new ATOM 0 HA GLN A 67 -28.166 -7.894 -5.800 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -26.963 -7.153 -7.777 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -26.765 -5.925 -6.542 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -24.499 -7.071 -5.993 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -24.707 -7.957 -7.490 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -24.011 -4.830 -6.030 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -23.484 -4.029 -7.514 1.00 0.00 H new ATOM 741 N PHE A 68 -25.559 -9.808 -5.322 1.00 0.00 N ATOM 742 CA PHE A 68 -24.964 -11.152 -5.436 1.00 0.00 C ATOM 743 C PHE A 68 -25.442 -12.070 -4.287 1.00 0.00 C ATOM 744 O PHE A 68 -24.938 -13.188 -4.137 1.00 0.00 O ATOM 745 CB PHE A 68 -23.408 -11.046 -5.427 1.00 0.00 C ATOM 746 CG PHE A 68 -22.793 -10.247 -6.587 1.00 0.00 C ATOM 747 CD1 PHE A 68 -23.157 -10.503 -7.910 1.00 0.00 C ATOM 748 CD2 PHE A 68 -21.841 -9.247 -6.356 1.00 0.00 C ATOM 749 CE1 PHE A 68 -22.593 -9.788 -8.957 1.00 0.00 C ATOM 750 CE2 PHE A 68 -21.277 -8.536 -7.407 1.00 0.00 C ATOM 751 CZ PHE A 68 -21.655 -8.807 -8.705 1.00 0.00 C ATOM 0 H PHE A 68 -25.083 -9.218 -4.640 1.00 0.00 H new ATOM 0 HA PHE A 68 -25.289 -11.592 -6.379 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -23.098 -10.587 -4.488 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -22.992 -12.054 -5.442 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -23.888 -11.269 -8.122 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -21.540 -9.025 -5.343 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -22.889 -10.000 -9.974 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -20.542 -7.770 -7.208 1.00 0.00 H new ATOM 0 HZ PHE A 68 -21.218 -8.253 -9.523 1.00 0.00 H new ATOM 761 N ALA A 69 -26.409 -11.589 -3.475 1.00 0.00 N ATOM 762 CA ALA A 69 -26.979 -12.352 -2.346 1.00 0.00 C ATOM 763 C ALA A 69 -27.973 -13.409 -2.870 1.00 0.00 C ATOM 764 O ALA A 69 -29.190 -13.194 -2.891 1.00 0.00 O ATOM 765 CB ALA A 69 -27.638 -11.390 -1.338 1.00 0.00 C ATOM 0 H ALA A 69 -26.816 -10.660 -3.585 1.00 0.00 H new ATOM 0 HA ALA A 69 -26.182 -12.881 -1.823 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -28.055 -11.962 -0.509 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -26.891 -10.693 -0.958 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -28.434 -10.834 -1.833 1.00 0.00 H new ATOM 771 N GLY A 70 -27.412 -14.529 -3.343 1.00 0.00 N ATOM 772 CA GLY A 70 -28.160 -15.573 -4.060 1.00 0.00 C ATOM 773 C GLY A 70 -27.283 -16.253 -5.106 1.00 0.00 C ATOM 774 O GLY A 70 -27.542 -17.393 -5.507 1.00 0.00 O ATOM 0 H GLY A 70 -26.419 -14.739 -3.239 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -28.527 -16.315 -3.350 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -29.033 -15.134 -4.542 1.00 0.00 H new ATOM 778 N GLU A 71 -26.244 -15.526 -5.556 1.00 0.00 N ATOM 779 CA GLU A 71 -25.225 -16.038 -6.490 1.00 0.00 C ATOM 780 C GLU A 71 -24.133 -16.800 -5.710 1.00 0.00 C ATOM 781 O GLU A 71 -23.892 -16.493 -4.533 1.00 0.00 O ATOM 782 CB GLU A 71 -24.604 -14.848 -7.284 1.00 0.00 C ATOM 783 CG GLU A 71 -23.623 -15.245 -8.411 1.00 0.00 C ATOM 784 CD GLU A 71 -24.248 -16.183 -9.465 1.00 0.00 C ATOM 785 OE1 GLU A 71 -25.080 -15.710 -10.271 1.00 0.00 O ATOM 786 OE2 GLU A 71 -23.942 -17.401 -9.463 1.00 0.00 O ATOM 0 H GLU A 71 -26.087 -14.557 -5.279 1.00 0.00 H new ATOM 0 HA GLU A 71 -25.689 -16.728 -7.195 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -25.413 -14.262 -7.719 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -24.081 -14.198 -6.582 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -23.265 -14.342 -8.906 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -22.754 -15.733 -7.971 1.00 0.00 H new ATOM 793 N ASP A 72 -23.486 -17.789 -6.376 1.00 0.00 N ATOM 794 CA ASP A 72 -22.337 -18.535 -5.812 1.00 0.00 C ATOM 795 C ASP A 72 -21.229 -17.542 -5.395 1.00 0.00 C ATOM 796 O ASP A 72 -20.826 -16.737 -6.229 1.00 0.00 O ATOM 797 CB ASP A 72 -21.775 -19.537 -6.859 1.00 0.00 C ATOM 798 CG ASP A 72 -20.516 -20.297 -6.374 1.00 0.00 C ATOM 799 OD1 ASP A 72 -20.658 -21.357 -5.729 1.00 0.00 O ATOM 800 OD2 ASP A 72 -19.382 -19.840 -6.636 1.00 0.00 O ATOM 0 H ASP A 72 -23.746 -18.090 -7.315 1.00 0.00 H new ATOM 0 HA ASP A 72 -22.674 -19.093 -4.939 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -22.551 -20.260 -7.111 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -21.533 -18.996 -7.774 1.00 0.00 H new ATOM 805 N PRO A 73 -20.742 -17.574 -4.108 1.00 0.00 N ATOM 806 CA PRO A 73 -19.751 -16.587 -3.584 1.00 0.00 C ATOM 807 C PRO A 73 -18.447 -16.463 -4.421 1.00 0.00 C ATOM 808 O PRO A 73 -17.902 -15.362 -4.576 1.00 0.00 O ATOM 809 CB PRO A 73 -19.454 -17.107 -2.152 1.00 0.00 C ATOM 810 CG PRO A 73 -20.673 -17.889 -1.768 1.00 0.00 C ATOM 811 CD PRO A 73 -21.148 -18.543 -3.046 1.00 0.00 C ATOM 0 HA PRO A 73 -20.156 -15.576 -3.621 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -18.561 -17.732 -2.136 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -19.279 -16.283 -1.460 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -20.438 -18.635 -1.008 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -21.442 -17.239 -1.350 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -20.684 -19.518 -3.194 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -22.226 -18.701 -3.039 1.00 0.00 H new ATOM 819 N VAL A 74 -17.965 -17.591 -4.959 1.00 0.00 N ATOM 820 CA VAL A 74 -16.700 -17.648 -5.732 1.00 0.00 C ATOM 821 C VAL A 74 -16.902 -17.032 -7.142 1.00 0.00 C ATOM 822 O VAL A 74 -16.016 -16.359 -7.683 1.00 0.00 O ATOM 823 CB VAL A 74 -16.166 -19.133 -5.827 1.00 0.00 C ATOM 824 CG1 VAL A 74 -14.789 -19.214 -6.528 1.00 0.00 C ATOM 825 CG2 VAL A 74 -16.099 -19.785 -4.421 1.00 0.00 C ATOM 0 H VAL A 74 -18.434 -18.493 -4.875 1.00 0.00 H new ATOM 0 HA VAL A 74 -15.946 -17.059 -5.209 1.00 0.00 H new ATOM 0 HB VAL A 74 -16.876 -19.689 -6.439 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -14.463 -20.253 -6.570 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -14.872 -18.819 -7.540 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -14.061 -18.627 -5.968 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -15.729 -20.806 -4.511 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -15.426 -19.210 -3.785 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -17.095 -19.798 -3.978 1.00 0.00 H new ATOM 835 N VAL A 75 -18.099 -17.261 -7.711 1.00 0.00 N ATOM 836 CA VAL A 75 -18.528 -16.675 -9.007 1.00 0.00 C ATOM 837 C VAL A 75 -18.823 -15.166 -8.851 1.00 0.00 C ATOM 838 O VAL A 75 -18.500 -14.366 -9.735 1.00 0.00 O ATOM 839 CB VAL A 75 -19.794 -17.437 -9.562 1.00 0.00 C ATOM 840 CG1 VAL A 75 -20.450 -16.722 -10.776 1.00 0.00 C ATOM 841 CG2 VAL A 75 -19.428 -18.900 -9.919 1.00 0.00 C ATOM 0 H VAL A 75 -18.806 -17.862 -7.286 1.00 0.00 H new ATOM 0 HA VAL A 75 -17.715 -16.789 -9.724 1.00 0.00 H new ATOM 0 HB VAL A 75 -20.538 -17.436 -8.765 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -21.315 -17.294 -11.112 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -20.769 -15.722 -10.481 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -19.727 -16.647 -11.588 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -20.311 -19.413 -10.300 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -18.648 -18.905 -10.681 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -19.067 -19.413 -9.027 1.00 0.00 H new ATOM 851 N ALA A 76 -19.396 -14.805 -7.695 1.00 0.00 N ATOM 852 CA ALA A 76 -19.784 -13.421 -7.345 1.00 0.00 C ATOM 853 C ALA A 76 -18.536 -12.554 -7.105 1.00 0.00 C ATOM 854 O ALA A 76 -18.554 -11.341 -7.330 1.00 0.00 O ATOM 855 CB ALA A 76 -20.683 -13.437 -6.096 1.00 0.00 C ATOM 0 H ALA A 76 -19.610 -15.477 -6.958 1.00 0.00 H new ATOM 0 HA ALA A 76 -20.340 -12.986 -8.176 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -20.968 -12.417 -5.840 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -21.579 -14.023 -6.300 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -20.140 -13.882 -5.262 1.00 0.00 H new ATOM 861 N LEU A 77 -17.462 -13.217 -6.648 1.00 0.00 N ATOM 862 CA LEU A 77 -16.129 -12.621 -6.470 1.00 0.00 C ATOM 863 C LEU A 77 -15.583 -12.175 -7.850 1.00 0.00 C ATOM 864 O LEU A 77 -15.126 -11.034 -8.010 1.00 0.00 O ATOM 865 CB LEU A 77 -15.197 -13.681 -5.777 1.00 0.00 C ATOM 866 CG LEU A 77 -13.846 -13.202 -5.118 1.00 0.00 C ATOM 867 CD1 LEU A 77 -12.834 -12.654 -6.140 1.00 0.00 C ATOM 868 CD2 LEU A 77 -14.098 -12.189 -3.990 1.00 0.00 C ATOM 0 H LEU A 77 -17.497 -14.202 -6.387 1.00 0.00 H new ATOM 0 HA LEU A 77 -16.172 -11.738 -5.833 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -15.782 -14.177 -5.003 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.949 -14.437 -6.522 1.00 0.00 H new ATOM 0 HG LEU A 77 -13.392 -14.092 -4.683 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -11.927 -12.342 -5.622 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -12.590 -13.432 -6.863 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -13.268 -11.799 -6.659 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -13.146 -11.881 -3.559 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -14.613 -11.317 -4.393 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -14.714 -12.650 -3.218 1.00 0.00 H new ATOM 880 N GLU A 78 -15.660 -13.091 -8.843 1.00 0.00 N ATOM 881 CA GLU A 78 -15.161 -12.837 -10.214 1.00 0.00 C ATOM 882 C GLU A 78 -16.017 -11.782 -10.933 1.00 0.00 C ATOM 883 O GLU A 78 -15.487 -10.924 -11.632 1.00 0.00 O ATOM 884 CB GLU A 78 -15.112 -14.137 -11.057 1.00 0.00 C ATOM 885 CG GLU A 78 -14.261 -15.263 -10.436 1.00 0.00 C ATOM 886 CD GLU A 78 -13.802 -16.325 -11.452 1.00 0.00 C ATOM 887 OE1 GLU A 78 -14.653 -17.065 -11.983 1.00 0.00 O ATOM 888 OE2 GLU A 78 -12.588 -16.422 -11.729 1.00 0.00 O ATOM 0 H GLU A 78 -16.066 -14.018 -8.718 1.00 0.00 H new ATOM 0 HA GLU A 78 -14.145 -12.455 -10.113 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -16.129 -14.502 -11.200 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -14.717 -13.901 -12.045 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -13.383 -14.824 -9.962 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -14.838 -15.750 -9.650 1.00 0.00 H new ATOM 895 N ALA A 79 -17.344 -11.857 -10.726 1.00 0.00 N ATOM 896 CA ALA A 79 -18.322 -10.908 -11.299 1.00 0.00 C ATOM 897 C ALA A 79 -18.087 -9.494 -10.744 1.00 0.00 C ATOM 898 O ALA A 79 -18.266 -8.493 -11.453 1.00 0.00 O ATOM 899 CB ALA A 79 -19.756 -11.386 -11.013 1.00 0.00 C ATOM 0 H ALA A 79 -17.773 -12.583 -10.152 1.00 0.00 H new ATOM 0 HA ALA A 79 -18.186 -10.870 -12.380 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -20.467 -10.679 -11.440 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -19.908 -12.368 -11.460 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -19.910 -11.450 -9.936 1.00 0.00 H new ATOM 905 N ALA A 80 -17.660 -9.439 -9.468 1.00 0.00 N ATOM 906 CA ALA A 80 -17.262 -8.191 -8.812 1.00 0.00 C ATOM 907 C ALA A 80 -15.962 -7.638 -9.426 1.00 0.00 C ATOM 908 O ALA A 80 -15.837 -6.437 -9.626 1.00 0.00 O ATOM 909 CB ALA A 80 -17.115 -8.399 -7.298 1.00 0.00 C ATOM 0 H ALA A 80 -17.583 -10.261 -8.868 1.00 0.00 H new ATOM 0 HA ALA A 80 -18.047 -7.453 -8.976 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -16.819 -7.461 -6.829 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -18.067 -8.728 -6.882 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -16.354 -9.156 -7.107 1.00 0.00 H new ATOM 915 N LEU A 81 -15.010 -8.538 -9.742 1.00 0.00 N ATOM 916 CA LEU A 81 -13.729 -8.175 -10.397 1.00 0.00 C ATOM 917 C LEU A 81 -13.936 -7.674 -11.846 1.00 0.00 C ATOM 918 O LEU A 81 -13.140 -6.863 -12.347 1.00 0.00 O ATOM 919 CB LEU A 81 -12.748 -9.377 -10.372 1.00 0.00 C ATOM 920 CG LEU A 81 -12.097 -9.688 -8.986 1.00 0.00 C ATOM 921 CD1 LEU A 81 -11.286 -10.997 -9.030 1.00 0.00 C ATOM 922 CD2 LEU A 81 -11.212 -8.507 -8.514 1.00 0.00 C ATOM 0 H LEU A 81 -15.103 -9.536 -9.553 1.00 0.00 H new ATOM 0 HA LEU A 81 -13.297 -7.351 -9.829 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -13.281 -10.265 -10.710 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.952 -9.189 -11.093 1.00 0.00 H new ATOM 0 HG LEU A 81 -12.902 -9.820 -8.263 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.846 -11.185 -8.051 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -11.944 -11.824 -9.297 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.494 -10.909 -9.773 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.770 -8.747 -7.547 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.420 -8.332 -9.242 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -11.823 -7.609 -8.420 1.00 0.00 H new ATOM 934 N GLN A 82 -14.997 -8.176 -12.499 1.00 0.00 N ATOM 935 CA GLN A 82 -15.376 -7.782 -13.870 1.00 0.00 C ATOM 936 C GLN A 82 -15.960 -6.360 -13.880 1.00 0.00 C ATOM 937 O GLN A 82 -15.621 -5.543 -14.747 1.00 0.00 O ATOM 938 CB GLN A 82 -16.400 -8.798 -14.447 1.00 0.00 C ATOM 939 CG GLN A 82 -15.824 -10.214 -14.674 1.00 0.00 C ATOM 940 CD GLN A 82 -16.867 -11.279 -15.041 1.00 0.00 C ATOM 941 OE1 GLN A 82 -16.715 -12.450 -14.685 1.00 0.00 O ATOM 942 NE2 GLN A 82 -17.902 -10.904 -15.778 1.00 0.00 N ATOM 0 H GLN A 82 -15.621 -8.871 -12.090 1.00 0.00 H new ATOM 0 HA GLN A 82 -14.485 -7.787 -14.498 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -17.249 -8.867 -13.767 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -16.780 -8.416 -15.394 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -15.079 -10.166 -15.468 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -15.305 -10.530 -13.769 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -18.002 -9.928 -16.058 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -18.599 -11.591 -16.066 1.00 0.00 H new ATOM 951 N PHE A 83 -16.828 -6.075 -12.894 1.00 0.00 N ATOM 952 CA PHE A 83 -17.499 -4.771 -12.769 1.00 0.00 C ATOM 953 C PHE A 83 -16.574 -3.801 -11.997 1.00 0.00 C ATOM 954 O PHE A 83 -16.300 -4.010 -10.809 1.00 0.00 O ATOM 955 CB PHE A 83 -18.874 -4.960 -12.066 1.00 0.00 C ATOM 956 CG PHE A 83 -19.774 -3.723 -11.958 1.00 0.00 C ATOM 957 CD1 PHE A 83 -19.735 -2.697 -12.902 1.00 0.00 C ATOM 958 CD2 PHE A 83 -20.695 -3.612 -10.914 1.00 0.00 C ATOM 959 CE1 PHE A 83 -20.577 -1.605 -12.797 1.00 0.00 C ATOM 960 CE2 PHE A 83 -21.532 -2.519 -10.809 1.00 0.00 C ATOM 961 CZ PHE A 83 -21.475 -1.515 -11.750 1.00 0.00 C ATOM 0 H PHE A 83 -17.083 -6.740 -12.164 1.00 0.00 H new ATOM 0 HA PHE A 83 -17.692 -4.340 -13.751 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -19.424 -5.734 -12.600 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -18.691 -5.336 -11.059 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -19.039 -2.756 -13.725 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -20.754 -4.397 -10.174 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -20.533 -0.819 -13.536 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -22.231 -2.451 -9.989 1.00 0.00 H new ATOM 0 HZ PHE A 83 -22.130 -0.660 -11.670 1.00 0.00 H new ATOM 971 N GLU A 84 -16.112 -2.735 -12.696 1.00 0.00 N ATOM 972 CA GLU A 84 -15.086 -1.784 -12.200 1.00 0.00 C ATOM 973 C GLU A 84 -15.450 -1.158 -10.840 1.00 0.00 C ATOM 974 O GLU A 84 -14.571 -0.883 -10.014 1.00 0.00 O ATOM 975 CB GLU A 84 -14.837 -0.666 -13.249 1.00 0.00 C ATOM 976 CG GLU A 84 -16.084 0.185 -13.601 1.00 0.00 C ATOM 977 CD GLU A 84 -15.773 1.365 -14.532 1.00 0.00 C ATOM 978 OE1 GLU A 84 -15.824 1.193 -15.768 1.00 0.00 O ATOM 979 OE2 GLU A 84 -15.465 2.469 -14.030 1.00 0.00 O ATOM 0 H GLU A 84 -16.446 -2.509 -13.633 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.174 -2.361 -12.049 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -14.056 -0.004 -12.875 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -14.457 -1.123 -14.163 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -16.830 -0.454 -14.074 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -16.527 0.565 -12.680 1.00 0.00 H new ATOM 986 N ASP A 85 -16.748 -0.952 -10.625 1.00 0.00 N ATOM 987 CA ASP A 85 -17.288 -0.384 -9.384 1.00 0.00 C ATOM 988 C ASP A 85 -17.032 -1.320 -8.188 1.00 0.00 C ATOM 989 O ASP A 85 -16.470 -0.916 -7.163 1.00 0.00 O ATOM 990 CB ASP A 85 -18.805 -0.128 -9.561 1.00 0.00 C ATOM 991 CG ASP A 85 -19.511 0.342 -8.273 1.00 0.00 C ATOM 992 OD1 ASP A 85 -19.314 1.507 -7.859 1.00 0.00 O ATOM 993 OD2 ASP A 85 -20.262 -0.450 -7.661 1.00 0.00 O ATOM 0 H ASP A 85 -17.466 -1.176 -11.314 1.00 0.00 H new ATOM 0 HA ASP A 85 -16.782 0.559 -9.176 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -18.949 0.623 -10.338 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -19.280 -1.044 -9.911 1.00 0.00 H new ATOM 998 N THR A 86 -17.438 -2.582 -8.351 1.00 0.00 N ATOM 999 CA THR A 86 -17.438 -3.577 -7.271 1.00 0.00 C ATOM 1000 C THR A 86 -16.042 -4.209 -7.045 1.00 0.00 C ATOM 1001 O THR A 86 -15.804 -4.832 -5.994 1.00 0.00 O ATOM 1002 CB THR A 86 -18.510 -4.674 -7.578 1.00 0.00 C ATOM 1003 OG1 THR A 86 -18.298 -5.209 -8.884 1.00 0.00 O ATOM 1004 CG2 THR A 86 -19.942 -4.120 -7.516 1.00 0.00 C ATOM 0 H THR A 86 -17.778 -2.946 -9.241 1.00 0.00 H new ATOM 0 HA THR A 86 -17.693 -3.067 -6.342 1.00 0.00 H new ATOM 0 HB THR A 86 -18.400 -5.446 -6.816 1.00 0.00 H new ATOM 0 HG1 THR A 86 -17.374 -5.526 -8.961 1.00 0.00 H new ATOM 0 HG21 THR A 86 -20.651 -4.918 -7.736 1.00 0.00 H new ATOM 0 HG22 THR A 86 -20.137 -3.726 -6.518 1.00 0.00 H new ATOM 0 HG23 THR A 86 -20.055 -3.322 -8.250 1.00 0.00 H new ATOM 1012 N ARG A 87 -15.106 -4.011 -8.010 1.00 0.00 N ATOM 1013 CA ARG A 87 -13.739 -4.588 -7.924 1.00 0.00 C ATOM 1014 C ARG A 87 -12.861 -3.779 -6.953 1.00 0.00 C ATOM 1015 O ARG A 87 -11.821 -4.260 -6.483 1.00 0.00 O ATOM 1016 CB ARG A 87 -13.087 -4.724 -9.340 1.00 0.00 C ATOM 1017 CG ARG A 87 -12.525 -3.437 -10.006 1.00 0.00 C ATOM 1018 CD ARG A 87 -11.012 -3.254 -9.786 1.00 0.00 C ATOM 1019 NE ARG A 87 -10.478 -2.093 -10.532 1.00 0.00 N ATOM 1020 CZ ARG A 87 -9.561 -2.149 -11.513 1.00 0.00 C ATOM 1021 NH1 ARG A 87 -9.147 -3.317 -11.987 1.00 0.00 N ATOM 1022 NH2 ARG A 87 -9.100 -1.029 -12.047 1.00 0.00 N ATOM 0 H ARG A 87 -15.272 -3.459 -8.852 1.00 0.00 H new ATOM 0 HA ARG A 87 -13.821 -5.597 -7.519 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -12.273 -5.445 -9.266 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -13.832 -5.151 -10.012 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -12.729 -3.470 -11.076 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -13.051 -2.570 -9.608 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -10.814 -3.123 -8.722 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -10.489 -4.157 -10.099 1.00 0.00 H new ATOM 0 HE ARG A 87 -10.836 -1.172 -10.280 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -9.525 -4.185 -11.607 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -8.451 -3.347 -12.732 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -9.441 -0.127 -11.714 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -8.404 -1.068 -12.792 1.00 0.00 H new ATOM 1036 N GLU A 88 -13.304 -2.548 -6.670 1.00 0.00 N ATOM 1037 CA GLU A 88 -12.665 -1.649 -5.698 1.00 0.00 C ATOM 1038 C GLU A 88 -12.763 -2.246 -4.283 1.00 0.00 C ATOM 1039 O GLU A 88 -11.777 -2.303 -3.548 1.00 0.00 O ATOM 1040 CB GLU A 88 -13.357 -0.259 -5.752 1.00 0.00 C ATOM 1041 CG GLU A 88 -13.433 0.356 -7.168 1.00 0.00 C ATOM 1042 CD GLU A 88 -12.053 0.679 -7.788 1.00 0.00 C ATOM 1043 OE1 GLU A 88 -11.374 1.609 -7.305 1.00 0.00 O ATOM 1044 OE2 GLU A 88 -11.649 0.004 -8.757 1.00 0.00 O ATOM 0 H GLU A 88 -14.127 -2.142 -7.115 1.00 0.00 H new ATOM 0 HA GLU A 88 -11.610 -1.532 -5.948 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -14.367 -0.353 -5.354 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -12.819 0.428 -5.098 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -13.963 -0.334 -7.825 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -14.024 1.271 -7.124 1.00 0.00 H new ATOM 1051 N SER A 89 -13.968 -2.741 -3.949 1.00 0.00 N ATOM 1052 CA SER A 89 -14.282 -3.327 -2.631 1.00 0.00 C ATOM 1053 C SER A 89 -13.601 -4.699 -2.421 1.00 0.00 C ATOM 1054 O SER A 89 -13.451 -5.151 -1.275 1.00 0.00 O ATOM 1055 CB SER A 89 -15.806 -3.441 -2.483 1.00 0.00 C ATOM 1056 OG SER A 89 -16.184 -4.021 -1.239 1.00 0.00 O ATOM 0 H SER A 89 -14.760 -2.746 -4.592 1.00 0.00 H new ATOM 0 HA SER A 89 -13.886 -2.667 -1.859 1.00 0.00 H new ATOM 0 HB2 SER A 89 -16.253 -2.451 -2.571 1.00 0.00 H new ATOM 0 HB3 SER A 89 -16.204 -4.044 -3.299 1.00 0.00 H new ATOM 0 HG SER A 89 -17.161 -4.073 -1.186 1.00 0.00 H new ATOM 1062 N MET A 90 -13.151 -5.333 -3.525 1.00 0.00 N ATOM 1063 CA MET A 90 -12.422 -6.626 -3.489 1.00 0.00 C ATOM 1064 C MET A 90 -11.068 -6.512 -2.744 1.00 0.00 C ATOM 1065 O MET A 90 -10.489 -7.537 -2.364 1.00 0.00 O ATOM 1066 CB MET A 90 -12.207 -7.159 -4.931 1.00 0.00 C ATOM 1067 CG MET A 90 -13.481 -7.522 -5.724 1.00 0.00 C ATOM 1068 SD MET A 90 -14.293 -9.041 -5.166 1.00 0.00 S ATOM 1069 CE MET A 90 -15.453 -8.465 -3.929 1.00 0.00 C ATOM 0 H MET A 90 -13.281 -4.966 -4.468 1.00 0.00 H new ATOM 0 HA MET A 90 -13.036 -7.334 -2.932 1.00 0.00 H new ATOM 0 HB2 MET A 90 -11.656 -6.407 -5.495 1.00 0.00 H new ATOM 0 HB3 MET A 90 -11.574 -8.044 -4.877 1.00 0.00 H new ATOM 0 HG2 MET A 90 -14.189 -6.697 -5.651 1.00 0.00 H new ATOM 0 HG3 MET A 90 -13.222 -7.627 -6.778 1.00 0.00 H new ATOM 0 HE1 MET A 90 -15.442 -9.144 -3.076 1.00 0.00 H new ATOM 0 HE2 MET A 90 -15.168 -7.465 -3.601 1.00 0.00 H new ATOM 0 HE3 MET A 90 -16.455 -8.435 -4.356 1.00 0.00 H new ATOM 1079 N HIS A 91 -10.588 -5.257 -2.523 1.00 0.00 N ATOM 1080 CA HIS A 91 -9.356 -4.971 -1.740 1.00 0.00 C ATOM 1081 C HIS A 91 -9.461 -5.540 -0.303 1.00 0.00 C ATOM 1082 O HIS A 91 -8.464 -5.978 0.286 1.00 0.00 O ATOM 1083 CB HIS A 91 -9.061 -3.433 -1.693 1.00 0.00 C ATOM 1084 CG HIS A 91 -9.862 -2.642 -0.675 1.00 0.00 C ATOM 1085 ND1 HIS A 91 -9.291 -2.029 0.422 1.00 0.00 N ATOM 1086 CD2 HIS A 91 -11.187 -2.383 -0.586 1.00 0.00 C ATOM 1087 CE1 HIS A 91 -10.229 -1.443 1.132 1.00 0.00 C ATOM 1088 NE2 HIS A 91 -11.388 -1.638 0.540 1.00 0.00 N ATOM 0 H HIS A 91 -11.044 -4.418 -2.882 1.00 0.00 H new ATOM 0 HA HIS A 91 -8.527 -5.466 -2.245 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -8.001 -3.291 -1.484 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -9.250 -3.015 -2.682 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -11.948 -2.707 -1.280 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -10.074 -0.893 2.049 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -12.289 -1.290 0.869 1.00 0.00 H new ATOM 1097 N ALA A 92 -10.697 -5.533 0.227 1.00 0.00 N ATOM 1098 CA ALA A 92 -11.009 -5.967 1.596 1.00 0.00 C ATOM 1099 C ALA A 92 -10.877 -7.488 1.739 1.00 0.00 C ATOM 1100 O ALA A 92 -10.476 -7.989 2.795 1.00 0.00 O ATOM 1101 CB ALA A 92 -12.430 -5.510 1.969 1.00 0.00 C ATOM 0 H ALA A 92 -11.517 -5.221 -0.293 1.00 0.00 H new ATOM 0 HA ALA A 92 -10.293 -5.509 2.278 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -12.661 -5.832 2.984 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -12.490 -4.423 1.911 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -13.147 -5.951 1.277 1.00 0.00 H new ATOM 1107 N PHE A 93 -11.204 -8.208 0.654 1.00 0.00 N ATOM 1108 CA PHE A 93 -11.255 -9.677 0.659 1.00 0.00 C ATOM 1109 C PHE A 93 -9.903 -10.289 0.257 1.00 0.00 C ATOM 1110 O PHE A 93 -9.580 -11.399 0.696 1.00 0.00 O ATOM 1111 CB PHE A 93 -12.389 -10.163 -0.279 1.00 0.00 C ATOM 1112 CG PHE A 93 -13.747 -9.564 0.086 1.00 0.00 C ATOM 1113 CD1 PHE A 93 -14.516 -10.107 1.112 1.00 0.00 C ATOM 1114 CD2 PHE A 93 -14.234 -8.436 -0.572 1.00 0.00 C ATOM 1115 CE1 PHE A 93 -15.727 -9.544 1.459 1.00 0.00 C ATOM 1116 CE2 PHE A 93 -15.451 -7.880 -0.225 1.00 0.00 C ATOM 1117 CZ PHE A 93 -16.195 -8.435 0.791 1.00 0.00 C ATOM 0 H PHE A 93 -11.439 -7.790 -0.246 1.00 0.00 H new ATOM 0 HA PHE A 93 -11.468 -10.013 1.674 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -12.144 -9.899 -1.308 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -12.451 -11.250 -0.235 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -14.161 -10.978 1.642 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -13.652 -7.990 -1.365 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -16.311 -9.976 2.259 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -15.818 -7.011 -0.751 1.00 0.00 H new ATOM 0 HZ PHE A 93 -17.145 -8.001 1.064 1.00 0.00 H new ATOM 1127 N CYS A 94 -9.085 -9.544 -0.531 1.00 0.00 N ATOM 1128 CA CYS A 94 -7.746 -10.009 -0.932 1.00 0.00 C ATOM 1129 C CYS A 94 -6.763 -9.849 0.239 1.00 0.00 C ATOM 1130 O CYS A 94 -6.373 -8.729 0.588 1.00 0.00 O ATOM 1131 CB CYS A 94 -7.230 -9.275 -2.198 1.00 0.00 C ATOM 1132 SG CYS A 94 -7.086 -7.480 -2.050 1.00 0.00 S ATOM 0 H CYS A 94 -9.334 -8.625 -0.896 1.00 0.00 H new ATOM 0 HA CYS A 94 -7.821 -11.065 -1.190 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -6.252 -9.680 -2.459 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -7.901 -9.501 -3.027 1.00 0.00 H new ATOM 0 HG CYS A 94 -7.615 -7.093 -0.927 1.00 0.00 H new ATOM 1138 N VAL A 95 -6.412 -10.981 0.875 1.00 0.00 N ATOM 1139 CA VAL A 95 -5.392 -11.024 1.940 1.00 0.00 C ATOM 1140 C VAL A 95 -3.983 -10.764 1.358 1.00 0.00 C ATOM 1141 O VAL A 95 -3.085 -10.303 2.068 1.00 0.00 O ATOM 1142 CB VAL A 95 -5.429 -12.393 2.723 1.00 0.00 C ATOM 1143 CG1 VAL A 95 -6.787 -12.588 3.437 1.00 0.00 C ATOM 1144 CG2 VAL A 95 -5.123 -13.598 1.801 1.00 0.00 C ATOM 0 H VAL A 95 -6.826 -11.890 0.666 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.624 -10.231 2.651 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.643 -12.349 3.477 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -6.785 -13.539 3.969 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -6.945 -11.776 4.147 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -7.589 -12.586 2.699 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -5.159 -14.519 2.382 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -5.864 -13.643 1.003 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -4.130 -13.481 1.367 1.00 0.00 H new ATOM 1154 N GLY A 96 -3.819 -11.074 0.054 1.00 0.00 N ATOM 1155 CA GLY A 96 -2.586 -10.785 -0.679 1.00 0.00 C ATOM 1156 C GLY A 96 -2.556 -11.441 -2.054 1.00 0.00 C ATOM 1157 O GLY A 96 -3.590 -11.881 -2.559 1.00 0.00 O ATOM 0 H GLY A 96 -4.538 -11.529 -0.509 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -2.479 -9.706 -0.793 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -1.732 -11.130 -0.097 1.00 0.00 H new ATOM 1161 N GLN A 97 -1.356 -11.476 -2.661 1.00 0.00 N ATOM 1162 CA GLN A 97 -1.106 -12.116 -3.965 1.00 0.00 C ATOM 1163 C GLN A 97 -0.750 -13.599 -3.753 1.00 0.00 C ATOM 1164 O GLN A 97 -0.027 -13.931 -2.809 1.00 0.00 O ATOM 1165 CB GLN A 97 0.060 -11.388 -4.695 1.00 0.00 C ATOM 1166 CG GLN A 97 0.420 -11.953 -6.084 1.00 0.00 C ATOM 1167 CD GLN A 97 1.656 -11.298 -6.701 1.00 0.00 C ATOM 1168 OE1 GLN A 97 2.781 -11.757 -6.507 1.00 0.00 O ATOM 1169 NE2 GLN A 97 1.464 -10.211 -7.437 1.00 0.00 N ATOM 0 H GLN A 97 -0.521 -11.055 -2.254 1.00 0.00 H new ATOM 0 HA GLN A 97 -2.005 -12.048 -4.578 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -0.202 -10.336 -4.805 1.00 0.00 H new ATOM 0 HB3 GLN A 97 0.946 -11.431 -4.062 1.00 0.00 H new ATOM 0 HG2 GLN A 97 0.590 -13.026 -5.999 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -0.428 -11.817 -6.755 1.00 0.00 H new ATOM 0 HE21 GLN A 97 0.520 -9.853 -7.581 1.00 0.00 H new ATOM 0 HE22 GLN A 97 2.261 -9.734 -7.859 1.00 0.00 H new ATOM 1178 N TYR A 98 -1.252 -14.475 -4.629 1.00 0.00 N ATOM 1179 CA TYR A 98 -0.922 -15.907 -4.598 1.00 0.00 C ATOM 1180 C TYR A 98 0.483 -16.159 -5.191 1.00 0.00 C ATOM 1181 O TYR A 98 0.837 -15.601 -6.240 1.00 0.00 O ATOM 1182 CB TYR A 98 -1.986 -16.732 -5.359 1.00 0.00 C ATOM 1183 CG TYR A 98 -1.720 -18.257 -5.369 1.00 0.00 C ATOM 1184 CD1 TYR A 98 -1.797 -19.016 -4.193 1.00 0.00 C ATOM 1185 CD2 TYR A 98 -1.398 -18.931 -6.552 1.00 0.00 C ATOM 1186 CE1 TYR A 98 -1.562 -20.380 -4.208 1.00 0.00 C ATOM 1187 CE2 TYR A 98 -1.168 -20.288 -6.563 1.00 0.00 C ATOM 1188 CZ TYR A 98 -1.249 -21.005 -5.397 1.00 0.00 C ATOM 1189 OH TYR A 98 -1.010 -22.360 -5.422 1.00 0.00 O ATOM 0 H TYR A 98 -1.895 -14.215 -5.377 1.00 0.00 H new ATOM 0 HA TYR A 98 -0.918 -16.229 -3.557 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -2.962 -16.548 -4.910 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.037 -16.377 -6.388 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -2.043 -18.529 -3.261 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.328 -18.375 -7.475 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -1.623 -20.952 -3.294 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.924 -20.787 -7.489 1.00 0.00 H new ATOM 0 HH TYR A 98 -0.805 -22.639 -6.339 1.00 0.00 H new ATOM 1199 N LEU A 99 1.260 -17.008 -4.504 1.00 0.00 N ATOM 1200 CA LEU A 99 2.567 -17.490 -4.964 1.00 0.00 C ATOM 1201 C LEU A 99 2.514 -19.024 -5.029 1.00 0.00 C ATOM 1202 O LEU A 99 2.053 -19.670 -4.088 1.00 0.00 O ATOM 1203 CB LEU A 99 3.692 -17.020 -3.995 1.00 0.00 C ATOM 1204 CG LEU A 99 5.143 -17.515 -4.324 1.00 0.00 C ATOM 1205 CD1 LEU A 99 5.652 -16.965 -5.681 1.00 0.00 C ATOM 1206 CD2 LEU A 99 6.129 -17.176 -3.181 1.00 0.00 C ATOM 0 H LEU A 99 0.991 -17.385 -3.595 1.00 0.00 H new ATOM 0 HA LEU A 99 2.791 -17.084 -5.950 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.697 -15.930 -3.980 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.437 -17.352 -2.988 1.00 0.00 H new ATOM 0 HG LEU A 99 5.094 -18.600 -4.413 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.661 -17.334 -5.868 1.00 0.00 H new ATOM 0 HD12 LEU A 99 4.990 -17.299 -6.480 1.00 0.00 H new ATOM 0 HD13 LEU A 99 5.664 -15.875 -5.651 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.125 -17.533 -3.442 1.00 0.00 H new ATOM 0 HD22 LEU A 99 6.158 -16.096 -3.033 1.00 0.00 H new ATOM 0 HD23 LEU A 99 5.800 -17.659 -2.261 1.00 0.00 H new ATOM 1218 N GLU A 100 2.948 -19.599 -6.154 1.00 0.00 N ATOM 1219 CA GLU A 100 3.118 -21.052 -6.285 1.00 0.00 C ATOM 1220 C GLU A 100 4.495 -21.453 -5.702 1.00 0.00 C ATOM 1221 O GLU A 100 5.455 -20.669 -5.820 1.00 0.00 O ATOM 1222 CB GLU A 100 3.034 -21.469 -7.775 1.00 0.00 C ATOM 1223 CG GLU A 100 1.746 -21.044 -8.504 1.00 0.00 C ATOM 1224 CD GLU A 100 1.766 -21.407 -9.999 1.00 0.00 C ATOM 1225 OE1 GLU A 100 2.313 -20.618 -10.805 1.00 0.00 O ATOM 1226 OE2 GLU A 100 1.261 -22.492 -10.368 1.00 0.00 O ATOM 0 H GLU A 100 3.190 -19.076 -6.996 1.00 0.00 H new ATOM 0 HA GLU A 100 2.324 -21.561 -5.738 1.00 0.00 H new ATOM 0 HB2 GLU A 100 3.888 -21.045 -8.303 1.00 0.00 H new ATOM 0 HB3 GLU A 100 3.127 -22.553 -7.838 1.00 0.00 H new ATOM 0 HG2 GLU A 100 0.889 -21.522 -8.029 1.00 0.00 H new ATOM 0 HG3 GLU A 100 1.610 -19.968 -8.397 1.00 0.00 H new ATOM 1233 N PRO A 101 4.637 -22.688 -5.113 1.00 0.00 N ATOM 1234 CA PRO A 101 5.938 -23.172 -4.571 1.00 0.00 C ATOM 1235 C PRO A 101 6.981 -23.463 -5.685 1.00 0.00 C ATOM 1236 O PRO A 101 8.150 -23.739 -5.397 1.00 0.00 O ATOM 1237 CB PRO A 101 5.542 -24.464 -3.807 1.00 0.00 C ATOM 1238 CG PRO A 101 4.309 -24.951 -4.506 1.00 0.00 C ATOM 1239 CD PRO A 101 3.556 -23.704 -4.921 1.00 0.00 C ATOM 0 HA PRO A 101 6.427 -22.429 -3.941 1.00 0.00 H new ATOM 0 HB2 PRO A 101 6.339 -25.207 -3.844 1.00 0.00 H new ATOM 0 HB3 PRO A 101 5.347 -24.259 -2.755 1.00 0.00 H new ATOM 0 HG2 PRO A 101 4.565 -25.561 -5.372 1.00 0.00 H new ATOM 0 HG3 PRO A 101 3.704 -25.573 -3.846 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.989 -23.864 -5.838 1.00 0.00 H new ATOM 0 HD3 PRO A 101 2.844 -23.392 -4.157 1.00 0.00 H new ATOM 1247 N ASP A 102 6.534 -23.391 -6.949 1.00 0.00 N ATOM 1248 CA ASP A 102 7.372 -23.609 -8.141 1.00 0.00 C ATOM 1249 C ASP A 102 7.603 -22.276 -8.906 1.00 0.00 C ATOM 1250 O ASP A 102 8.529 -22.164 -9.718 1.00 0.00 O ATOM 1251 CB ASP A 102 6.666 -24.663 -9.041 1.00 0.00 C ATOM 1252 CG ASP A 102 7.545 -25.189 -10.184 1.00 0.00 C ATOM 1253 OD1 ASP A 102 8.373 -26.089 -9.927 1.00 0.00 O ATOM 1254 OD2 ASP A 102 7.407 -24.718 -11.337 1.00 0.00 O ATOM 0 H ASP A 102 5.563 -23.176 -7.176 1.00 0.00 H new ATOM 0 HA ASP A 102 8.355 -23.978 -7.847 1.00 0.00 H new ATOM 0 HB2 ASP A 102 6.350 -25.503 -8.422 1.00 0.00 H new ATOM 0 HB3 ASP A 102 5.763 -24.221 -9.463 1.00 0.00 H new ATOM 1259 N GLN A 103 6.761 -21.255 -8.608 1.00 0.00 N ATOM 1260 CA GLN A 103 6.736 -19.965 -9.342 1.00 0.00 C ATOM 1261 C GLN A 103 7.942 -19.073 -8.999 1.00 0.00 C ATOM 1262 O GLN A 103 8.407 -18.302 -9.840 1.00 0.00 O ATOM 1263 CB GLN A 103 5.403 -19.219 -9.067 1.00 0.00 C ATOM 1264 CG GLN A 103 5.187 -17.920 -9.868 1.00 0.00 C ATOM 1265 CD GLN A 103 5.249 -18.100 -11.399 1.00 0.00 C ATOM 1266 OE1 GLN A 103 5.711 -17.212 -12.115 1.00 0.00 O ATOM 1267 NE2 GLN A 103 4.753 -19.224 -11.922 1.00 0.00 N ATOM 0 H GLN A 103 6.079 -21.303 -7.851 1.00 0.00 H new ATOM 0 HA GLN A 103 6.805 -20.192 -10.406 1.00 0.00 H new ATOM 0 HB2 GLN A 103 4.577 -19.898 -9.281 1.00 0.00 H new ATOM 0 HB3 GLN A 103 5.353 -18.981 -8.004 1.00 0.00 H new ATOM 0 HG2 GLN A 103 4.217 -17.500 -9.602 1.00 0.00 H new ATOM 0 HG3 GLN A 103 5.942 -17.193 -9.569 1.00 0.00 H new ATOM 0 HE21 GLN A 103 4.375 -19.948 -11.310 1.00 0.00 H new ATOM 0 HE22 GLN A 103 4.752 -19.359 -12.933 1.00 0.00 H new