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 37:sc= 0.078 USER MOD Single : A 33 ASN :FLIP amide:sc= -0.493 F(o=-1.2,f=-0.49) USER MOD Single : A 34 HIS :FLIP no HE2:sc= 0.0743 F(o=-0.8,f=0.074) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 42 THR OG1 : rot -160:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -167:sc= -0.0632 (180deg=-0.304) USER MOD Single : A 49 TYR OH : rot 30:sc=-0.00757 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.207 X(o=-0.21,f=0) USER MOD Single : A 56 THR OG1 : rot 75:sc= 0.465 USER MOD Single : A 57 GLN : amide:sc= -0.249 X(o=-0.25,f=-0.15) USER MOD Single : A 58 SER OG : rot 64:sc= 0.532 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.992 K(o=-0.99,f=-4.9!) USER MOD Single : A 63 SER OG : rot 160:sc= 1.02 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 THR OG1 : rot 51:sc= -0.699 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl -164:sc= -1.14 (180deg=-1.47) USER MOD Single : A 91 HIS : no HD1:sc= -0.36 X(o=-0.36,f=-0.0072) USER MOD Single : A 94 CYS SG : rot 11:sc= -1.33 USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 98 TYR OH : rot 180:sc= -1.66! USER MOD Single : A 103 GLN : amide:sc= 0.0322 K(o=0.032,f=-0.59) USER MOD ----------------------------------------------------------------- ATOM 54 N THR A 24 1.929 -9.231 -0.096 1.00 0.00 N ATOM 55 CA THR A 24 1.859 -10.447 0.723 1.00 0.00 C ATOM 56 C THR A 24 1.704 -11.675 -0.190 1.00 0.00 C ATOM 57 O THR A 24 0.658 -11.884 -0.809 1.00 0.00 O ATOM 58 CB THR A 24 0.684 -10.355 1.755 1.00 0.00 C ATOM 59 OG1 THR A 24 0.862 -9.182 2.571 1.00 0.00 O ATOM 60 CG2 THR A 24 0.590 -11.602 2.664 1.00 0.00 C ATOM 0 HA THR A 24 2.784 -10.549 1.291 1.00 0.00 H new ATOM 0 HB THR A 24 -0.245 -10.297 1.188 1.00 0.00 H new ATOM 0 HG1 THR A 24 1.219 -8.453 2.022 1.00 0.00 H new ATOM 0 HG21 THR A 24 -0.241 -11.484 3.359 1.00 0.00 H new ATOM 0 HG22 THR A 24 0.427 -12.488 2.050 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.518 -11.715 3.224 1.00 0.00 H new ATOM 68 N LEU A 25 2.782 -12.455 -0.280 1.00 0.00 N ATOM 69 CA LEU A 25 2.849 -13.644 -1.130 1.00 0.00 C ATOM 70 C LEU A 25 2.275 -14.845 -0.365 1.00 0.00 C ATOM 71 O LEU A 25 2.874 -15.326 0.604 1.00 0.00 O ATOM 72 CB LEU A 25 4.316 -13.860 -1.580 1.00 0.00 C ATOM 73 CG LEU A 25 4.925 -12.668 -2.400 1.00 0.00 C ATOM 74 CD1 LEU A 25 6.445 -12.846 -2.614 1.00 0.00 C ATOM 75 CD2 LEU A 25 4.172 -12.463 -3.745 1.00 0.00 C ATOM 0 H LEU A 25 3.641 -12.277 0.240 1.00 0.00 H new ATOM 0 HA LEU A 25 2.247 -13.520 -2.030 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.933 -14.030 -0.697 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.368 -14.765 -2.185 1.00 0.00 H new ATOM 0 HG LEU A 25 4.789 -11.760 -1.812 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.833 -12.003 -3.185 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.946 -12.891 -1.647 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.630 -13.771 -3.161 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.618 -11.630 -4.289 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.246 -13.370 -4.345 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.123 -12.245 -3.545 1.00 0.00 H new ATOM 87 N VAL A 26 1.068 -15.260 -0.765 1.00 0.00 N ATOM 88 CA VAL A 26 0.339 -16.382 -0.160 1.00 0.00 C ATOM 89 C VAL A 26 0.471 -17.613 -1.068 1.00 0.00 C ATOM 90 O VAL A 26 0.225 -17.525 -2.276 1.00 0.00 O ATOM 91 CB VAL A 26 -1.179 -16.019 0.040 1.00 0.00 C ATOM 92 CG1 VAL A 26 -1.962 -17.152 0.757 1.00 0.00 C ATOM 93 CG2 VAL A 26 -1.340 -14.662 0.771 1.00 0.00 C ATOM 0 H VAL A 26 0.561 -14.818 -1.532 1.00 0.00 H new ATOM 0 HA VAL A 26 0.766 -16.598 0.819 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.618 -15.915 -0.952 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.005 -16.857 0.873 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.907 -18.064 0.163 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.524 -17.332 1.739 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.400 -14.439 0.894 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.864 -14.718 1.750 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.869 -13.874 0.183 1.00 0.00 H new ATOM 103 N ARG A 27 0.875 -18.747 -0.480 1.00 0.00 N ATOM 104 CA ARG A 27 1.029 -20.025 -1.201 1.00 0.00 C ATOM 105 C ARG A 27 -0.173 -20.943 -0.912 1.00 0.00 C ATOM 106 O ARG A 27 -0.986 -20.660 -0.020 1.00 0.00 O ATOM 107 CB ARG A 27 2.371 -20.706 -0.813 1.00 0.00 C ATOM 108 CG ARG A 27 3.611 -19.824 -1.090 1.00 0.00 C ATOM 109 CD ARG A 27 4.949 -20.527 -0.791 1.00 0.00 C ATOM 110 NE ARG A 27 6.075 -19.579 -0.900 1.00 0.00 N ATOM 111 CZ ARG A 27 7.377 -19.900 -0.948 1.00 0.00 C ATOM 112 NH1 ARG A 27 7.782 -21.166 -0.975 1.00 0.00 N ATOM 113 NH2 ARG A 27 8.271 -18.931 -0.970 1.00 0.00 N ATOM 0 H ARG A 27 1.106 -18.808 0.512 1.00 0.00 H new ATOM 0 HA ARG A 27 1.054 -19.830 -2.273 1.00 0.00 H new ATOM 0 HB2 ARG A 27 2.346 -20.963 0.246 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.469 -21.641 -1.365 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.599 -19.513 -2.135 1.00 0.00 H new ATOM 0 HG3 ARG A 27 3.544 -18.918 -0.487 1.00 0.00 H new ATOM 0 HD2 ARG A 27 4.924 -20.955 0.211 1.00 0.00 H new ATOM 0 HD3 ARG A 27 5.094 -21.353 -1.487 1.00 0.00 H new ATOM 0 HE ARG A 27 5.842 -18.587 -0.943 1.00 0.00 H new ATOM 0 HH11 ARG A 27 7.097 -21.921 -0.959 1.00 0.00 H new ATOM 0 HH12 ARG A 27 8.778 -21.382 -1.011 1.00 0.00 H new ATOM 0 HH21 ARG A 27 7.968 -17.957 -0.951 1.00 0.00 H new ATOM 0 HH22 ARG A 27 9.265 -19.155 -1.006 1.00 0.00 H new ATOM 127 N ILE A 28 -0.256 -22.056 -1.667 1.00 0.00 N ATOM 128 CA ILE A 28 -1.406 -22.984 -1.623 1.00 0.00 C ATOM 129 C ILE A 28 -1.493 -23.732 -0.277 1.00 0.00 C ATOM 130 O ILE A 28 -2.591 -24.009 0.200 1.00 0.00 O ATOM 131 CB ILE A 28 -1.374 -23.986 -2.840 1.00 0.00 C ATOM 132 CG1 ILE A 28 -2.643 -24.910 -2.870 1.00 0.00 C ATOM 133 CG2 ILE A 28 -0.059 -24.807 -2.884 1.00 0.00 C ATOM 134 CD1 ILE A 28 -2.777 -25.760 -4.127 1.00 0.00 C ATOM 0 H ILE A 28 0.471 -22.338 -2.324 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.311 -22.383 -1.710 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.398 -23.382 -3.747 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.617 -25.569 -2.002 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -3.532 -24.288 -2.771 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.081 -25.484 -3.738 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.790 -24.130 -2.979 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.040 -25.385 -1.965 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.681 -26.366 -4.062 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.838 -25.111 -5.000 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.909 -26.412 -4.219 1.00 0.00 H new ATOM 146 N ALA A 29 -0.325 -24.002 0.340 1.00 0.00 N ATOM 147 CA ALA A 29 -0.240 -24.670 1.663 1.00 0.00 C ATOM 148 C ALA A 29 -0.992 -23.874 2.745 1.00 0.00 C ATOM 149 O ALA A 29 -1.619 -24.458 3.638 1.00 0.00 O ATOM 150 CB ALA A 29 1.227 -24.859 2.071 1.00 0.00 C ATOM 0 H ALA A 29 0.584 -23.766 -0.059 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.715 -25.647 1.573 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.274 -25.350 3.043 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.735 -25.475 1.329 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.716 -23.887 2.132 1.00 0.00 H new ATOM 156 N ASP A 30 -0.935 -22.534 2.623 1.00 0.00 N ATOM 157 CA ASP A 30 -1.605 -21.606 3.546 1.00 0.00 C ATOM 158 C ASP A 30 -3.136 -21.717 3.379 1.00 0.00 C ATOM 159 O ASP A 30 -3.869 -21.775 4.369 1.00 0.00 O ATOM 160 CB ASP A 30 -1.121 -20.145 3.309 1.00 0.00 C ATOM 161 CG ASP A 30 -1.591 -19.166 4.405 1.00 0.00 C ATOM 162 OD1 ASP A 30 -1.197 -19.342 5.583 1.00 0.00 O ATOM 163 OD2 ASP A 30 -2.324 -18.209 4.103 1.00 0.00 O ATOM 0 H ASP A 30 -0.420 -22.066 1.877 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.346 -21.877 4.569 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -0.032 -20.133 3.262 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.486 -19.800 2.342 1.00 0.00 H new ATOM 168 N LEU A 31 -3.592 -21.803 2.106 1.00 0.00 N ATOM 169 CA LEU A 31 -5.030 -21.959 1.750 1.00 0.00 C ATOM 170 C LEU A 31 -5.654 -23.188 2.448 1.00 0.00 C ATOM 171 O LEU A 31 -6.793 -23.126 2.942 1.00 0.00 O ATOM 172 CB LEU A 31 -5.204 -22.109 0.209 1.00 0.00 C ATOM 173 CG LEU A 31 -4.676 -20.933 -0.672 1.00 0.00 C ATOM 174 CD1 LEU A 31 -4.893 -21.221 -2.175 1.00 0.00 C ATOM 175 CD2 LEU A 31 -5.318 -19.596 -0.260 1.00 0.00 C ATOM 0 H LEU A 31 -2.976 -21.767 1.294 1.00 0.00 H new ATOM 0 HA LEU A 31 -5.544 -21.060 2.091 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.698 -23.023 -0.104 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.265 -22.244 -0.003 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.602 -20.848 -0.504 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.516 -20.385 -2.764 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.359 -22.130 -2.452 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.957 -21.351 -2.371 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.930 -18.796 -0.891 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.400 -19.660 -0.378 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.079 -19.383 0.782 1.00 0.00 H new ATOM 187 N GLU A 32 -4.872 -24.282 2.490 1.00 0.00 N ATOM 188 CA GLU A 32 -5.295 -25.566 3.076 1.00 0.00 C ATOM 189 C GLU A 32 -5.505 -25.421 4.594 1.00 0.00 C ATOM 190 O GLU A 32 -6.469 -25.951 5.151 1.00 0.00 O ATOM 191 CB GLU A 32 -4.239 -26.675 2.794 1.00 0.00 C ATOM 192 CG GLU A 32 -3.719 -26.738 1.345 1.00 0.00 C ATOM 193 CD GLU A 32 -4.832 -26.857 0.282 1.00 0.00 C ATOM 194 OE1 GLU A 32 -5.306 -27.985 0.033 1.00 0.00 O ATOM 195 OE2 GLU A 32 -5.234 -25.828 -0.305 1.00 0.00 O ATOM 0 H GLU A 32 -3.923 -24.300 2.116 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.238 -25.854 2.612 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.390 -26.523 3.461 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.675 -27.641 3.048 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.131 -25.843 1.142 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.046 -27.590 1.248 1.00 0.00 H new ATOM 202 N ASN A 33 -4.577 -24.686 5.233 1.00 0.00 N ATOM 203 CA ASN A 33 -4.604 -24.413 6.682 1.00 0.00 C ATOM 204 C ASN A 33 -5.900 -23.684 7.070 1.00 0.00 C ATOM 205 O ASN A 33 -6.626 -24.111 7.976 1.00 0.00 O ATOM 206 CB ASN A 33 -3.385 -23.547 7.085 1.00 0.00 C ATOM 207 CG ASN A 33 -2.037 -24.202 6.797 1.00 0.00 C ATOM 208 OD1 ASN A 33 -1.060 -23.400 6.404 1.00 0.00 O flip ATOM 209 ND2 ASN A 33 -1.882 -25.420 6.902 1.00 0.00 N flip ATOM 0 H ASN A 33 -3.782 -24.262 4.755 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.561 -25.366 7.210 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -3.436 -22.596 6.554 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -3.448 -23.322 8.150 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -2.657 -26.008 7.208 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -0.979 -25.840 6.683 1.00 0.00 H new ATOM 216 N HIS A 34 -6.196 -22.598 6.332 1.00 0.00 N ATOM 217 CA HIS A 34 -7.387 -21.754 6.574 1.00 0.00 C ATOM 218 C HIS A 34 -8.685 -22.541 6.327 1.00 0.00 C ATOM 219 O HIS A 34 -9.675 -22.340 7.038 1.00 0.00 O ATOM 220 CB HIS A 34 -7.346 -20.469 5.705 1.00 0.00 C ATOM 221 CG HIS A 34 -6.267 -19.515 6.122 1.00 0.00 C ATOM 222 ND1 HIS A 34 -5.021 -19.327 5.654 1.00 0.00 N flip ATOM 223 CD2 HIS A 34 -6.422 -18.609 7.151 1.00 0.00 C flip ATOM 224 CE1 HIS A 34 -4.446 -18.344 6.407 1.00 0.00 C flip ATOM 225 NE2 HIS A 34 -5.315 -17.927 7.304 1.00 0.00 N flip ATOM 0 H HIS A 34 -5.620 -22.279 5.553 1.00 0.00 H new ATOM 0 HA HIS A 34 -7.372 -21.453 7.622 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -7.195 -20.747 4.662 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -8.311 -19.966 5.764 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -4.585 -19.827 4.879 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -7.319 -18.482 7.740 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -3.440 -17.969 6.286 1.00 0.00 H new ATOM 234 N ASN A 35 -8.653 -23.455 5.338 1.00 0.00 N ATOM 235 CA ASN A 35 -9.777 -24.374 5.051 1.00 0.00 C ATOM 236 C ASN A 35 -10.093 -25.244 6.291 1.00 0.00 C ATOM 237 O ASN A 35 -11.261 -25.481 6.615 1.00 0.00 O ATOM 238 CB ASN A 35 -9.434 -25.269 3.821 1.00 0.00 C ATOM 239 CG ASN A 35 -10.518 -26.307 3.474 1.00 0.00 C ATOM 240 OD1 ASN A 35 -11.452 -26.023 2.719 1.00 0.00 O ATOM 241 ND2 ASN A 35 -10.392 -27.525 4.001 1.00 0.00 N ATOM 0 H ASN A 35 -7.853 -23.579 4.717 1.00 0.00 H new ATOM 0 HA ASN A 35 -10.663 -23.785 4.815 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.269 -24.629 2.954 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.497 -25.790 4.015 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -11.077 -28.248 3.783 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.610 -27.734 4.622 1.00 0.00 H new ATOM 248 N ASN A 36 -9.022 -25.680 6.995 1.00 0.00 N ATOM 249 CA ASN A 36 -9.115 -26.533 8.197 1.00 0.00 C ATOM 250 C ASN A 36 -9.563 -25.729 9.442 1.00 0.00 C ATOM 251 O ASN A 36 -10.017 -26.310 10.427 1.00 0.00 O ATOM 252 CB ASN A 36 -7.750 -27.234 8.454 1.00 0.00 C ATOM 253 CG ASN A 36 -7.280 -28.082 7.266 1.00 0.00 C ATOM 254 OD1 ASN A 36 -8.083 -28.585 6.478 1.00 0.00 O ATOM 255 ND2 ASN A 36 -5.972 -28.243 7.122 1.00 0.00 N ATOM 0 H ASN A 36 -8.062 -25.446 6.740 1.00 0.00 H new ATOM 0 HA ASN A 36 -9.878 -27.290 8.015 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.996 -26.479 8.675 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -7.834 -27.869 9.336 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -5.609 -28.794 6.344 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -5.329 -27.816 7.789 1.00 0.00 H new ATOM 262 N ASP A 37 -9.414 -24.393 9.398 1.00 0.00 N ATOM 263 CA ASP A 37 -9.981 -23.488 10.432 1.00 0.00 C ATOM 264 C ASP A 37 -11.452 -23.158 10.123 1.00 0.00 C ATOM 265 O ASP A 37 -12.198 -22.744 11.013 1.00 0.00 O ATOM 266 CB ASP A 37 -9.158 -22.170 10.544 1.00 0.00 C ATOM 267 CG ASP A 37 -7.804 -22.366 11.238 1.00 0.00 C ATOM 268 OD1 ASP A 37 -6.829 -22.772 10.573 1.00 0.00 O ATOM 269 OD2 ASP A 37 -7.708 -22.127 12.465 1.00 0.00 O ATOM 0 H ASP A 37 -8.906 -23.909 8.658 1.00 0.00 H new ATOM 0 HA ASP A 37 -9.928 -24.011 11.387 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -8.993 -21.765 9.545 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.739 -21.431 11.096 1.00 0.00 H new ATOM 274 N GLY A 38 -11.853 -23.344 8.856 1.00 0.00 N ATOM 275 CA GLY A 38 -13.196 -22.981 8.389 1.00 0.00 C ATOM 276 C GLY A 38 -13.198 -21.701 7.567 1.00 0.00 C ATOM 277 O GLY A 38 -14.197 -21.383 6.909 1.00 0.00 O ATOM 0 H GLY A 38 -11.258 -23.748 8.132 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -13.601 -23.796 7.789 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -13.856 -22.859 9.248 1.00 0.00 H new ATOM 281 N GLY A 39 -12.076 -20.953 7.621 1.00 0.00 N ATOM 282 CA GLY A 39 -11.902 -19.734 6.834 1.00 0.00 C ATOM 283 C GLY A 39 -11.590 -20.055 5.384 1.00 0.00 C ATOM 284 O GLY A 39 -10.424 -20.169 5.000 1.00 0.00 O ATOM 0 H GLY A 39 -11.276 -21.183 8.210 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -12.808 -19.131 6.888 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -11.095 -19.136 7.258 1.00 0.00 H new ATOM 288 N PHE A 40 -12.642 -20.204 4.577 1.00 0.00 N ATOM 289 CA PHE A 40 -12.524 -20.657 3.189 1.00 0.00 C ATOM 290 C PHE A 40 -11.989 -19.505 2.318 1.00 0.00 C ATOM 291 O PHE A 40 -12.661 -18.481 2.152 1.00 0.00 O ATOM 292 CB PHE A 40 -13.905 -21.144 2.681 1.00 0.00 C ATOM 293 CG PHE A 40 -13.885 -21.853 1.320 1.00 0.00 C ATOM 294 CD1 PHE A 40 -13.612 -23.220 1.231 1.00 0.00 C ATOM 295 CD2 PHE A 40 -14.142 -21.161 0.136 1.00 0.00 C ATOM 296 CE1 PHE A 40 -13.606 -23.865 0.005 1.00 0.00 C ATOM 297 CE2 PHE A 40 -14.134 -21.805 -1.087 1.00 0.00 C ATOM 298 CZ PHE A 40 -13.863 -23.158 -1.151 1.00 0.00 C ATOM 0 H PHE A 40 -13.601 -20.014 4.867 1.00 0.00 H new ATOM 0 HA PHE A 40 -11.824 -21.490 3.128 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -14.328 -21.823 3.421 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -14.574 -20.286 2.617 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -13.403 -23.781 2.130 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -14.351 -20.102 0.176 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -13.400 -24.924 -0.046 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -14.339 -21.251 -1.991 1.00 0.00 H new ATOM 0 HZ PHE A 40 -13.852 -23.662 -2.106 1.00 0.00 H new ATOM 308 N TRP A 41 -10.748 -19.665 1.839 1.00 0.00 N ATOM 309 CA TRP A 41 -10.096 -18.723 0.912 1.00 0.00 C ATOM 310 C TRP A 41 -10.183 -19.255 -0.529 1.00 0.00 C ATOM 311 O TRP A 41 -10.701 -20.357 -0.771 1.00 0.00 O ATOM 312 CB TRP A 41 -8.608 -18.497 1.330 1.00 0.00 C ATOM 313 CG TRP A 41 -8.396 -17.627 2.557 1.00 0.00 C ATOM 314 CD1 TRP A 41 -9.332 -17.185 3.449 1.00 0.00 C ATOM 315 CD2 TRP A 41 -7.139 -17.097 3.012 1.00 0.00 C ATOM 316 NE1 TRP A 41 -8.737 -16.404 4.408 1.00 0.00 N ATOM 317 CE2 TRP A 41 -7.398 -16.330 4.162 1.00 0.00 C ATOM 318 CE3 TRP A 41 -5.825 -17.180 2.548 1.00 0.00 C ATOM 319 CZ2 TRP A 41 -6.395 -15.670 4.857 1.00 0.00 C ATOM 320 CZ3 TRP A 41 -4.828 -16.532 3.241 1.00 0.00 C ATOM 321 CH2 TRP A 41 -5.117 -15.774 4.384 1.00 0.00 C ATOM 0 H TRP A 41 -10.160 -20.461 2.086 1.00 0.00 H new ATOM 0 HA TRP A 41 -10.613 -17.765 0.958 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -8.149 -19.469 1.512 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -8.078 -18.046 0.491 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -10.386 -17.416 3.406 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -9.221 -15.950 5.183 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -5.594 -17.745 1.657 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -6.617 -15.093 5.743 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -3.807 -16.609 2.899 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -4.317 -15.264 4.899 1.00 0.00 H new ATOM 332 N THR A 42 -9.664 -18.460 -1.477 1.00 0.00 N ATOM 333 CA THR A 42 -9.689 -18.778 -2.912 1.00 0.00 C ATOM 334 C THR A 42 -8.574 -18.002 -3.640 1.00 0.00 C ATOM 335 O THR A 42 -8.172 -16.923 -3.194 1.00 0.00 O ATOM 336 CB THR A 42 -11.090 -18.446 -3.548 1.00 0.00 C ATOM 337 OG1 THR A 42 -11.110 -18.801 -4.942 1.00 0.00 O ATOM 338 CG2 THR A 42 -11.465 -16.958 -3.378 1.00 0.00 C ATOM 0 H THR A 42 -9.211 -17.571 -1.267 1.00 0.00 H new ATOM 0 HA THR A 42 -9.517 -19.848 -3.027 1.00 0.00 H new ATOM 0 HB THR A 42 -11.833 -19.039 -3.015 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.834 -18.318 -5.392 1.00 0.00 H new ATOM 0 HG21 THR A 42 -12.439 -16.774 -3.832 1.00 0.00 H new ATOM 0 HG22 THR A 42 -11.507 -16.712 -2.317 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.714 -16.336 -3.865 1.00 0.00 H new ATOM 346 N VAL A 43 -8.070 -18.570 -4.744 1.00 0.00 N ATOM 347 CA VAL A 43 -7.135 -17.885 -5.652 1.00 0.00 C ATOM 348 C VAL A 43 -7.908 -17.423 -6.910 1.00 0.00 C ATOM 349 O VAL A 43 -8.399 -18.244 -7.694 1.00 0.00 O ATOM 350 CB VAL A 43 -5.876 -18.777 -6.009 1.00 0.00 C ATOM 351 CG1 VAL A 43 -6.261 -20.226 -6.400 1.00 0.00 C ATOM 352 CG2 VAL A 43 -5.012 -18.107 -7.112 1.00 0.00 C ATOM 0 H VAL A 43 -8.299 -19.520 -5.035 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.728 -17.010 -5.146 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.276 -18.850 -5.102 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.359 -20.791 -6.634 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.781 -20.701 -5.568 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -6.914 -20.206 -7.273 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.154 -18.741 -7.338 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.611 -17.973 -8.013 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.663 -17.136 -6.761 1.00 0.00 H new ATOM 362 N ILE A 44 -8.048 -16.089 -7.058 1.00 0.00 N ATOM 363 CA ILE A 44 -8.772 -15.445 -8.174 1.00 0.00 C ATOM 364 C ILE A 44 -7.832 -14.454 -8.883 1.00 0.00 C ATOM 365 O ILE A 44 -7.354 -13.490 -8.265 1.00 0.00 O ATOM 366 CB ILE A 44 -10.075 -14.705 -7.662 1.00 0.00 C ATOM 367 CG1 ILE A 44 -11.073 -15.735 -7.033 1.00 0.00 C ATOM 368 CG2 ILE A 44 -10.759 -13.872 -8.785 1.00 0.00 C ATOM 369 CD1 ILE A 44 -12.360 -15.146 -6.487 1.00 0.00 C ATOM 0 H ILE A 44 -7.656 -15.419 -6.396 1.00 0.00 H new ATOM 0 HA ILE A 44 -9.089 -16.215 -8.878 1.00 0.00 H new ATOM 0 HB ILE A 44 -9.771 -13.998 -6.891 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -11.326 -16.478 -7.789 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -10.564 -16.262 -6.226 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -11.648 -13.383 -8.386 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -10.064 -13.117 -9.153 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -11.045 -14.532 -9.604 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -12.979 -15.943 -6.075 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -12.127 -14.426 -5.703 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -12.901 -14.645 -7.290 1.00 0.00 H new ATOM 381 N ASP A 45 -7.557 -14.742 -10.167 1.00 0.00 N ATOM 382 CA ASP A 45 -6.757 -13.897 -11.079 1.00 0.00 C ATOM 383 C ASP A 45 -5.371 -13.546 -10.474 1.00 0.00 C ATOM 384 O ASP A 45 -5.009 -12.372 -10.316 1.00 0.00 O ATOM 385 CB ASP A 45 -7.557 -12.625 -11.515 1.00 0.00 C ATOM 386 CG ASP A 45 -6.915 -11.889 -12.713 1.00 0.00 C ATOM 387 OD1 ASP A 45 -7.078 -12.358 -13.861 1.00 0.00 O ATOM 388 OD2 ASP A 45 -6.273 -10.835 -12.520 1.00 0.00 O ATOM 0 H ASP A 45 -7.894 -15.594 -10.615 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.559 -14.476 -11.981 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -8.575 -12.915 -11.777 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.628 -11.940 -10.670 1.00 0.00 H new ATOM 393 N GLY A 46 -4.630 -14.592 -10.064 1.00 0.00 N ATOM 394 CA GLY A 46 -3.258 -14.447 -9.542 1.00 0.00 C ATOM 395 C GLY A 46 -3.167 -13.877 -8.126 1.00 0.00 C ATOM 396 O GLY A 46 -2.065 -13.722 -7.596 1.00 0.00 O ATOM 0 H GLY A 46 -4.963 -15.556 -10.085 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.774 -15.423 -9.557 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.695 -13.801 -10.215 1.00 0.00 H new ATOM 400 N LYS A 47 -4.323 -13.562 -7.514 1.00 0.00 N ATOM 401 CA LYS A 47 -4.415 -13.037 -6.139 1.00 0.00 C ATOM 402 C LYS A 47 -5.086 -14.071 -5.245 1.00 0.00 C ATOM 403 O LYS A 47 -5.662 -15.042 -5.736 1.00 0.00 O ATOM 404 CB LYS A 47 -5.241 -11.726 -6.104 1.00 0.00 C ATOM 405 CG LYS A 47 -4.682 -10.571 -6.947 1.00 0.00 C ATOM 406 CD LYS A 47 -3.296 -10.100 -6.476 1.00 0.00 C ATOM 407 CE LYS A 47 -2.753 -8.943 -7.323 1.00 0.00 C ATOM 408 NZ LYS A 47 -2.757 -9.276 -8.774 1.00 0.00 N ATOM 0 H LYS A 47 -5.231 -13.666 -7.966 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.407 -12.828 -5.782 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -6.253 -11.945 -6.445 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.318 -11.393 -5.069 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.618 -10.886 -7.988 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.377 -9.732 -6.910 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.357 -9.787 -5.434 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.598 -10.936 -6.517 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.357 -8.052 -7.152 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.737 -8.705 -7.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.189 -8.576 -9.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.351 -10.223 -8.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.734 -9.262 -9.131 1.00 0.00 H new ATOM 422 N VAL A 48 -5.014 -13.846 -3.927 1.00 0.00 N ATOM 423 CA VAL A 48 -5.756 -14.634 -2.940 1.00 0.00 C ATOM 424 C VAL A 48 -6.764 -13.726 -2.230 1.00 0.00 C ATOM 425 O VAL A 48 -6.391 -12.700 -1.644 1.00 0.00 O ATOM 426 CB VAL A 48 -4.824 -15.319 -1.879 1.00 0.00 C ATOM 427 CG1 VAL A 48 -5.648 -16.100 -0.823 1.00 0.00 C ATOM 428 CG2 VAL A 48 -3.802 -16.240 -2.570 1.00 0.00 C ATOM 0 H VAL A 48 -4.438 -13.111 -3.516 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.265 -15.434 -3.477 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.279 -14.533 -1.355 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.972 -16.562 -0.103 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.317 -15.414 -0.304 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.235 -16.874 -1.319 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.165 -16.706 -1.818 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.329 -17.014 -3.129 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.188 -15.654 -3.253 1.00 0.00 H new ATOM 438 N TYR A 49 -8.035 -14.110 -2.323 1.00 0.00 N ATOM 439 CA TYR A 49 -9.156 -13.462 -1.641 1.00 0.00 C ATOM 440 C TYR A 49 -9.769 -14.440 -0.632 1.00 0.00 C ATOM 441 O TYR A 49 -9.423 -15.629 -0.610 1.00 0.00 O ATOM 442 CB TYR A 49 -10.234 -13.049 -2.676 1.00 0.00 C ATOM 443 CG TYR A 49 -9.787 -12.030 -3.733 1.00 0.00 C ATOM 444 CD1 TYR A 49 -9.064 -12.429 -4.856 1.00 0.00 C ATOM 445 CD2 TYR A 49 -10.086 -10.666 -3.608 1.00 0.00 C ATOM 446 CE1 TYR A 49 -8.649 -11.514 -5.803 1.00 0.00 C ATOM 447 CE2 TYR A 49 -9.675 -9.755 -4.559 1.00 0.00 C ATOM 448 CZ TYR A 49 -8.955 -10.184 -5.652 1.00 0.00 C ATOM 449 OH TYR A 49 -8.525 -9.273 -6.591 1.00 0.00 O ATOM 0 H TYR A 49 -8.324 -14.905 -2.893 1.00 0.00 H new ATOM 0 HA TYR A 49 -8.797 -12.573 -1.122 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -10.583 -13.946 -3.188 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -11.088 -12.636 -2.139 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -8.824 -13.474 -4.988 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -10.648 -10.322 -2.752 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -8.084 -11.844 -6.662 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.917 -8.708 -4.447 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.464 -9.710 -7.466 1.00 0.00 H new ATOM 459 N ASP A 50 -10.673 -13.929 0.200 1.00 0.00 N ATOM 460 CA ASP A 50 -11.496 -14.751 1.100 1.00 0.00 C ATOM 461 C ASP A 50 -12.890 -14.964 0.484 1.00 0.00 C ATOM 462 O ASP A 50 -13.328 -14.203 -0.379 1.00 0.00 O ATOM 463 CB ASP A 50 -11.633 -14.052 2.482 1.00 0.00 C ATOM 464 CG ASP A 50 -12.357 -12.699 2.380 1.00 0.00 C ATOM 465 OD1 ASP A 50 -11.695 -11.684 2.084 1.00 0.00 O ATOM 466 OD2 ASP A 50 -13.587 -12.671 2.528 1.00 0.00 O ATOM 0 H ASP A 50 -10.860 -12.929 0.273 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.013 -15.718 1.237 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.179 -14.704 3.164 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.642 -13.900 2.910 1.00 0.00 H new ATOM 471 N ILE A 51 -13.564 -16.004 0.960 1.00 0.00 N ATOM 472 CA ILE A 51 -14.992 -16.264 0.693 1.00 0.00 C ATOM 473 C ILE A 51 -15.766 -16.217 2.024 1.00 0.00 C ATOM 474 O ILE A 51 -16.950 -15.857 2.058 1.00 0.00 O ATOM 475 CB ILE A 51 -15.185 -17.660 -0.025 1.00 0.00 C ATOM 476 CG1 ILE A 51 -14.546 -17.633 -1.452 1.00 0.00 C ATOM 477 CG2 ILE A 51 -16.670 -18.118 -0.080 1.00 0.00 C ATOM 478 CD1 ILE A 51 -15.127 -16.577 -2.374 1.00 0.00 C ATOM 0 H ILE A 51 -13.133 -16.711 1.556 1.00 0.00 H new ATOM 0 HA ILE A 51 -15.381 -15.497 0.023 1.00 0.00 H new ATOM 0 HB ILE A 51 -14.665 -18.402 0.581 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -13.474 -17.464 -1.354 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -14.674 -18.612 -1.914 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -16.735 -19.082 -0.585 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -17.060 -18.212 0.934 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -17.258 -17.381 -0.628 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -14.629 -16.626 -3.342 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -16.194 -16.756 -2.505 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -14.976 -15.590 -1.938 1.00 0.00 H new ATOM 490 N LYS A 52 -15.057 -16.573 3.111 1.00 0.00 N ATOM 491 CA LYS A 52 -15.590 -16.599 4.479 1.00 0.00 C ATOM 492 C LYS A 52 -16.227 -15.241 4.880 1.00 0.00 C ATOM 493 O LYS A 52 -17.408 -15.180 5.235 1.00 0.00 O ATOM 494 CB LYS A 52 -14.439 -16.933 5.456 1.00 0.00 C ATOM 495 CG LYS A 52 -14.864 -17.033 6.941 1.00 0.00 C ATOM 496 CD LYS A 52 -13.702 -16.736 7.911 1.00 0.00 C ATOM 497 CE LYS A 52 -13.233 -15.267 7.842 1.00 0.00 C ATOM 498 NZ LYS A 52 -12.158 -14.976 8.821 1.00 0.00 N ATOM 0 H LYS A 52 -14.078 -16.856 3.058 1.00 0.00 H new ATOM 0 HA LYS A 52 -16.372 -17.357 4.526 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -13.988 -17.879 5.156 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -13.668 -16.169 5.363 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -15.678 -16.333 7.130 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -15.251 -18.033 7.138 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -14.016 -16.966 8.929 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -12.863 -17.393 7.680 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -12.875 -15.049 6.836 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -14.081 -14.608 8.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -11.874 -13.979 8.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -12.506 -15.159 9.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -11.338 -15.586 8.628 1.00 0.00 H new ATOM 512 N ASP A 53 -15.424 -14.164 4.816 1.00 0.00 N ATOM 513 CA ASP A 53 -15.872 -12.803 5.180 1.00 0.00 C ATOM 514 C ASP A 53 -16.788 -12.233 4.077 1.00 0.00 C ATOM 515 O ASP A 53 -17.754 -11.545 4.378 1.00 0.00 O ATOM 516 CB ASP A 53 -14.651 -11.873 5.452 1.00 0.00 C ATOM 517 CG ASP A 53 -15.060 -10.428 5.805 1.00 0.00 C ATOM 518 OD1 ASP A 53 -15.452 -10.180 6.967 1.00 0.00 O ATOM 519 OD2 ASP A 53 -15.017 -9.540 4.927 1.00 0.00 O ATOM 0 H ASP A 53 -14.451 -14.209 4.513 1.00 0.00 H new ATOM 0 HA ASP A 53 -16.450 -12.856 6.103 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -14.061 -12.287 6.269 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -14.009 -11.858 4.571 1.00 0.00 H new ATOM 524 N PHE A 54 -16.475 -12.575 2.806 1.00 0.00 N ATOM 525 CA PHE A 54 -17.234 -12.154 1.604 1.00 0.00 C ATOM 526 C PHE A 54 -18.745 -12.445 1.749 1.00 0.00 C ATOM 527 O PHE A 54 -19.585 -11.549 1.593 1.00 0.00 O ATOM 528 CB PHE A 54 -16.645 -12.878 0.352 1.00 0.00 C ATOM 529 CG PHE A 54 -17.374 -12.597 -0.964 1.00 0.00 C ATOM 530 CD1 PHE A 54 -18.451 -13.389 -1.383 1.00 0.00 C ATOM 531 CD2 PHE A 54 -16.992 -11.537 -1.778 1.00 0.00 C ATOM 532 CE1 PHE A 54 -19.112 -13.123 -2.565 1.00 0.00 C ATOM 533 CE2 PHE A 54 -17.661 -11.276 -2.958 1.00 0.00 C ATOM 534 CZ PHE A 54 -18.718 -12.066 -3.351 1.00 0.00 C ATOM 0 H PHE A 54 -15.672 -13.163 2.582 1.00 0.00 H new ATOM 0 HA PHE A 54 -17.132 -11.075 1.485 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -15.601 -12.586 0.240 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -16.657 -13.953 0.534 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -18.769 -14.221 -0.772 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -16.163 -10.910 -1.485 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -19.939 -13.745 -2.873 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -17.353 -10.446 -3.577 1.00 0.00 H new ATOM 0 HZ PHE A 54 -19.237 -11.856 -4.275 1.00 0.00 H new ATOM 544 N GLN A 55 -19.061 -13.710 2.067 1.00 0.00 N ATOM 545 CA GLN A 55 -20.449 -14.202 2.185 1.00 0.00 C ATOM 546 C GLN A 55 -21.161 -13.559 3.395 1.00 0.00 C ATOM 547 O GLN A 55 -22.393 -13.403 3.399 1.00 0.00 O ATOM 548 CB GLN A 55 -20.466 -15.750 2.270 1.00 0.00 C ATOM 549 CG GLN A 55 -19.833 -16.336 3.551 1.00 0.00 C ATOM 550 CD GLN A 55 -19.700 -17.859 3.514 1.00 0.00 C ATOM 551 OE1 GLN A 55 -20.608 -18.587 3.919 1.00 0.00 O ATOM 552 NE2 GLN A 55 -18.561 -18.355 3.032 1.00 0.00 N ATOM 0 H GLN A 55 -18.359 -14.427 2.251 1.00 0.00 H new ATOM 0 HA GLN A 55 -21.000 -13.909 1.291 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -21.499 -16.092 2.203 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -19.940 -16.153 1.405 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -18.847 -15.895 3.696 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -20.439 -16.051 4.411 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -17.829 -17.725 2.705 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -18.422 -19.365 2.990 1.00 0.00 H new ATOM 561 N THR A 56 -20.363 -13.185 4.419 1.00 0.00 N ATOM 562 CA THR A 56 -20.857 -12.455 5.598 1.00 0.00 C ATOM 563 C THR A 56 -21.281 -11.026 5.193 1.00 0.00 C ATOM 564 O THR A 56 -22.331 -10.544 5.616 1.00 0.00 O ATOM 565 CB THR A 56 -19.775 -12.392 6.725 1.00 0.00 C ATOM 566 OG1 THR A 56 -19.284 -13.713 6.987 1.00 0.00 O ATOM 567 CG2 THR A 56 -20.308 -11.782 8.039 1.00 0.00 C ATOM 0 H THR A 56 -19.363 -13.382 4.448 1.00 0.00 H new ATOM 0 HA THR A 56 -21.720 -12.993 5.990 1.00 0.00 H new ATOM 0 HB THR A 56 -18.978 -11.742 6.365 1.00 0.00 H new ATOM 0 HG1 THR A 56 -18.679 -13.986 6.266 1.00 0.00 H new ATOM 0 HG21 THR A 56 -19.511 -11.766 8.782 1.00 0.00 H new ATOM 0 HG22 THR A 56 -20.653 -10.765 7.854 1.00 0.00 H new ATOM 0 HG23 THR A 56 -21.137 -12.385 8.410 1.00 0.00 H new ATOM 575 N GLN A 57 -20.463 -10.375 4.336 1.00 0.00 N ATOM 576 CA GLN A 57 -20.746 -9.025 3.823 1.00 0.00 C ATOM 577 C GLN A 57 -21.961 -9.051 2.875 1.00 0.00 C ATOM 578 O GLN A 57 -22.680 -8.069 2.755 1.00 0.00 O ATOM 579 CB GLN A 57 -19.505 -8.445 3.091 1.00 0.00 C ATOM 580 CG GLN A 57 -18.201 -8.423 3.920 1.00 0.00 C ATOM 581 CD GLN A 57 -18.283 -7.622 5.218 1.00 0.00 C ATOM 582 OE1 GLN A 57 -19.009 -6.641 5.320 1.00 0.00 O ATOM 583 NE2 GLN A 57 -17.525 -8.030 6.218 1.00 0.00 N ATOM 0 H GLN A 57 -19.592 -10.773 3.984 1.00 0.00 H new ATOM 0 HA GLN A 57 -20.979 -8.381 4.671 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -19.332 -9.028 2.187 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -19.733 -7.427 2.775 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -17.921 -9.449 4.159 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -17.402 -8.010 3.304 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -16.930 -8.851 6.105 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -17.534 -7.525 7.104 1.00 0.00 H new ATOM 592 N SER A 58 -22.172 -10.203 2.219 1.00 0.00 N ATOM 593 CA SER A 58 -23.332 -10.444 1.345 1.00 0.00 C ATOM 594 C SER A 58 -24.623 -10.622 2.175 1.00 0.00 C ATOM 595 O SER A 58 -25.718 -10.335 1.692 1.00 0.00 O ATOM 596 CB SER A 58 -23.067 -11.688 0.464 1.00 0.00 C ATOM 597 OG SER A 58 -24.152 -11.970 -0.409 1.00 0.00 O ATOM 0 H SER A 58 -21.538 -11.000 2.280 1.00 0.00 H new ATOM 0 HA SER A 58 -23.474 -9.577 0.700 1.00 0.00 H new ATOM 0 HB2 SER A 58 -22.163 -11.529 -0.123 1.00 0.00 H new ATOM 0 HB3 SER A 58 -22.884 -12.551 1.104 1.00 0.00 H new ATOM 0 HG SER A 58 -24.258 -11.234 -1.048 1.00 0.00 H new ATOM 603 N LEU A 59 -24.469 -11.090 3.432 1.00 0.00 N ATOM 604 CA LEU A 59 -25.594 -11.371 4.351 1.00 0.00 C ATOM 605 C LEU A 59 -26.335 -10.076 4.780 1.00 0.00 C ATOM 606 O LEU A 59 -27.537 -10.117 5.091 1.00 0.00 O ATOM 607 CB LEU A 59 -25.067 -12.152 5.591 1.00 0.00 C ATOM 608 CG LEU A 59 -26.126 -12.633 6.638 1.00 0.00 C ATOM 609 CD1 LEU A 59 -27.168 -13.588 6.004 1.00 0.00 C ATOM 610 CD2 LEU A 59 -25.436 -13.284 7.862 1.00 0.00 C ATOM 0 H LEU A 59 -23.555 -11.285 3.841 1.00 0.00 H new ATOM 0 HA LEU A 59 -26.323 -11.984 3.821 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -24.524 -13.027 5.233 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -24.345 -11.519 6.107 1.00 0.00 H new ATOM 0 HG LEU A 59 -26.668 -11.753 6.985 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -27.885 -13.899 6.763 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -27.692 -13.072 5.199 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -26.661 -14.465 5.603 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -26.193 -13.610 8.575 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -24.851 -14.144 7.535 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -24.778 -12.557 8.338 1.00 0.00 H new ATOM 622 N THR A 60 -25.626 -8.929 4.787 1.00 0.00 N ATOM 623 CA THR A 60 -26.222 -7.633 5.180 1.00 0.00 C ATOM 624 C THR A 60 -26.867 -6.919 3.974 1.00 0.00 C ATOM 625 O THR A 60 -26.454 -7.107 2.819 1.00 0.00 O ATOM 626 CB THR A 60 -25.184 -6.690 5.887 1.00 0.00 C ATOM 627 OG1 THR A 60 -25.846 -5.512 6.389 1.00 0.00 O ATOM 628 CG2 THR A 60 -24.025 -6.266 4.967 1.00 0.00 C ATOM 0 H THR A 60 -24.642 -8.872 4.526 1.00 0.00 H new ATOM 0 HA THR A 60 -27.005 -7.860 5.904 1.00 0.00 H new ATOM 0 HB THR A 60 -24.754 -7.266 6.706 1.00 0.00 H new ATOM 0 HG1 THR A 60 -25.191 -4.931 6.829 1.00 0.00 H new ATOM 0 HG21 THR A 60 -23.344 -5.616 5.516 1.00 0.00 H new ATOM 0 HG22 THR A 60 -23.487 -7.151 4.628 1.00 0.00 H new ATOM 0 HG23 THR A 60 -24.422 -5.730 4.105 1.00 0.00 H new ATOM 636 N GLU A 61 -27.896 -6.106 4.278 1.00 0.00 N ATOM 637 CA GLU A 61 -28.605 -5.264 3.305 1.00 0.00 C ATOM 638 C GLU A 61 -27.778 -3.989 3.008 1.00 0.00 C ATOM 639 O GLU A 61 -26.936 -3.587 3.822 1.00 0.00 O ATOM 640 CB GLU A 61 -30.015 -4.907 3.869 1.00 0.00 C ATOM 641 CG GLU A 61 -30.930 -4.109 2.923 1.00 0.00 C ATOM 642 CD GLU A 61 -31.251 -4.850 1.611 1.00 0.00 C ATOM 643 OE1 GLU A 61 -32.194 -5.670 1.600 1.00 0.00 O ATOM 644 OE2 GLU A 61 -30.570 -4.603 0.588 1.00 0.00 O ATOM 0 H GLU A 61 -28.262 -6.017 5.226 1.00 0.00 H new ATOM 0 HA GLU A 61 -28.732 -5.804 2.367 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -30.523 -5.833 4.140 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -29.884 -4.334 4.787 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -31.862 -3.880 3.439 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -30.454 -3.157 2.687 1.00 0.00 H new ATOM 651 N ASN A 62 -28.011 -3.397 1.812 1.00 0.00 N ATOM 652 CA ASN A 62 -27.312 -2.184 1.309 1.00 0.00 C ATOM 653 C ASN A 62 -25.849 -2.479 0.913 1.00 0.00 C ATOM 654 O ASN A 62 -25.107 -1.561 0.550 1.00 0.00 O ATOM 655 CB ASN A 62 -27.384 -0.971 2.301 1.00 0.00 C ATOM 656 CG ASN A 62 -28.784 -0.368 2.484 1.00 0.00 C ATOM 657 OD1 ASN A 62 -29.802 -1.045 2.373 1.00 0.00 O ATOM 658 ND2 ASN A 62 -28.843 0.924 2.777 1.00 0.00 N ATOM 0 H ASN A 62 -28.704 -3.755 1.155 1.00 0.00 H new ATOM 0 HA ASN A 62 -27.855 -1.891 0.411 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -27.013 -1.294 3.274 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -26.711 -0.190 1.946 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -29.747 1.375 2.915 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -27.984 1.467 2.864 1.00 0.00 H new ATOM 665 N SER A 63 -25.459 -3.760 0.957 1.00 0.00 N ATOM 666 CA SER A 63 -24.124 -4.213 0.545 1.00 0.00 C ATOM 667 C SER A 63 -24.024 -4.202 -0.988 1.00 0.00 C ATOM 668 O SER A 63 -25.038 -4.313 -1.679 1.00 0.00 O ATOM 669 CB SER A 63 -23.873 -5.640 1.083 1.00 0.00 C ATOM 670 OG SER A 63 -22.626 -6.155 0.633 1.00 0.00 O ATOM 0 H SER A 63 -26.064 -4.515 1.281 1.00 0.00 H new ATOM 0 HA SER A 63 -23.370 -3.540 0.954 1.00 0.00 H new ATOM 0 HB2 SER A 63 -23.891 -5.627 2.173 1.00 0.00 H new ATOM 0 HB3 SER A 63 -24.678 -6.299 0.759 1.00 0.00 H new ATOM 0 HG SER A 63 -22.349 -6.894 1.214 1.00 0.00 H new ATOM 676 N ILE A 64 -22.793 -4.085 -1.510 1.00 0.00 N ATOM 677 CA ILE A 64 -22.514 -4.261 -2.954 1.00 0.00 C ATOM 678 C ILE A 64 -22.709 -5.744 -3.369 1.00 0.00 C ATOM 679 O ILE A 64 -22.889 -6.054 -4.550 1.00 0.00 O ATOM 680 CB ILE A 64 -21.052 -3.793 -3.342 1.00 0.00 C ATOM 681 CG1 ILE A 64 -19.959 -4.592 -2.548 1.00 0.00 C ATOM 682 CG2 ILE A 64 -20.888 -2.264 -3.151 1.00 0.00 C ATOM 683 CD1 ILE A 64 -18.525 -4.339 -2.991 1.00 0.00 C ATOM 0 H ILE A 64 -21.966 -3.868 -0.954 1.00 0.00 H new ATOM 0 HA ILE A 64 -23.223 -3.632 -3.492 1.00 0.00 H new ATOM 0 HB ILE A 64 -20.905 -4.013 -4.399 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -20.045 -4.343 -1.490 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -20.169 -5.657 -2.643 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -19.875 -1.970 -3.425 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -21.602 -1.739 -3.786 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -21.072 -2.006 -2.108 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -17.846 -4.936 -2.383 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -18.413 -4.617 -4.039 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -18.288 -3.282 -2.869 1.00 0.00 H new ATOM 695 N LEU A 65 -22.671 -6.638 -2.362 1.00 0.00 N ATOM 696 CA LEU A 65 -22.819 -8.092 -2.525 1.00 0.00 C ATOM 697 C LEU A 65 -24.261 -8.548 -2.254 1.00 0.00 C ATOM 698 O LEU A 65 -24.548 -9.744 -2.346 1.00 0.00 O ATOM 699 CB LEU A 65 -21.840 -8.808 -1.566 1.00 0.00 C ATOM 700 CG LEU A 65 -20.355 -8.371 -1.683 1.00 0.00 C ATOM 701 CD1 LEU A 65 -19.468 -9.123 -0.666 1.00 0.00 C ATOM 702 CD2 LEU A 65 -19.849 -8.528 -3.137 1.00 0.00 C ATOM 0 H LEU A 65 -22.533 -6.359 -1.391 1.00 0.00 H new ATOM 0 HA LEU A 65 -22.586 -8.352 -3.557 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -22.172 -8.638 -0.542 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -21.901 -9.881 -1.747 1.00 0.00 H new ATOM 0 HG LEU A 65 -20.288 -7.312 -1.432 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -18.434 -8.795 -0.773 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -19.814 -8.910 0.346 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -19.530 -10.195 -0.852 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -18.806 -8.216 -3.195 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -19.933 -9.571 -3.441 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -20.451 -7.907 -3.801 1.00 0.00 H new ATOM 714 N ALA A 66 -25.158 -7.597 -1.925 1.00 0.00 N ATOM 715 CA ALA A 66 -26.597 -7.883 -1.716 1.00 0.00 C ATOM 716 C ALA A 66 -27.265 -8.357 -3.033 1.00 0.00 C ATOM 717 O ALA A 66 -28.247 -9.107 -3.012 1.00 0.00 O ATOM 718 CB ALA A 66 -27.312 -6.647 -1.142 1.00 0.00 C ATOM 0 H ALA A 66 -24.911 -6.616 -1.797 1.00 0.00 H new ATOM 0 HA ALA A 66 -26.686 -8.693 -0.992 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -28.368 -6.873 -0.994 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -26.862 -6.377 -0.187 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -27.213 -5.814 -1.838 1.00 0.00 H new ATOM 724 N GLN A 67 -26.706 -7.908 -4.180 1.00 0.00 N ATOM 725 CA GLN A 67 -27.112 -8.366 -5.534 1.00 0.00 C ATOM 726 C GLN A 67 -26.431 -9.704 -5.904 1.00 0.00 C ATOM 727 O GLN A 67 -26.943 -10.462 -6.730 1.00 0.00 O ATOM 728 CB GLN A 67 -26.779 -7.280 -6.594 1.00 0.00 C ATOM 729 CG GLN A 67 -25.288 -6.892 -6.674 1.00 0.00 C ATOM 730 CD GLN A 67 -25.004 -5.797 -7.704 1.00 0.00 C ATOM 731 OE1 GLN A 67 -24.669 -6.074 -8.859 1.00 0.00 O ATOM 732 NE2 GLN A 67 -25.167 -4.544 -7.302 1.00 0.00 N ATOM 0 H GLN A 67 -25.958 -7.215 -4.195 1.00 0.00 H new ATOM 0 HA GLN A 67 -28.189 -8.531 -5.522 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -27.101 -7.636 -7.573 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -27.362 -6.386 -6.373 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -24.954 -6.554 -5.693 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -24.702 -7.777 -6.923 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -25.445 -4.349 -6.340 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -25.015 -3.775 -7.955 1.00 0.00 H new ATOM 741 N PHE A 68 -25.271 -9.976 -5.281 1.00 0.00 N ATOM 742 CA PHE A 68 -24.466 -11.192 -5.527 1.00 0.00 C ATOM 743 C PHE A 68 -24.834 -12.336 -4.560 1.00 0.00 C ATOM 744 O PHE A 68 -24.227 -13.415 -4.614 1.00 0.00 O ATOM 745 CB PHE A 68 -22.957 -10.843 -5.412 1.00 0.00 C ATOM 746 CG PHE A 68 -22.418 -9.986 -6.563 1.00 0.00 C ATOM 747 CD1 PHE A 68 -22.386 -10.491 -7.866 1.00 0.00 C ATOM 748 CD2 PHE A 68 -21.951 -8.688 -6.353 1.00 0.00 C ATOM 749 CE1 PHE A 68 -21.907 -9.724 -8.915 1.00 0.00 C ATOM 750 CE2 PHE A 68 -21.473 -7.926 -7.406 1.00 0.00 C ATOM 751 CZ PHE A 68 -21.450 -8.444 -8.685 1.00 0.00 C ATOM 0 H PHE A 68 -24.859 -9.354 -4.585 1.00 0.00 H new ATOM 0 HA PHE A 68 -24.685 -11.547 -6.534 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -22.788 -10.316 -4.473 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -22.384 -11.769 -5.365 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -22.740 -11.493 -8.057 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -21.962 -8.272 -5.356 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -21.891 -10.130 -9.916 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -21.117 -6.923 -7.226 1.00 0.00 H new ATOM 0 HZ PHE A 68 -21.075 -7.848 -9.504 1.00 0.00 H new ATOM 761 N ALA A 69 -25.839 -12.101 -3.690 1.00 0.00 N ATOM 762 CA ALA A 69 -26.340 -13.113 -2.731 1.00 0.00 C ATOM 763 C ALA A 69 -27.029 -14.283 -3.467 1.00 0.00 C ATOM 764 O ALA A 69 -27.013 -15.424 -2.988 1.00 0.00 O ATOM 765 CB ALA A 69 -27.300 -12.453 -1.729 1.00 0.00 C ATOM 0 H ALA A 69 -26.326 -11.207 -3.631 1.00 0.00 H new ATOM 0 HA ALA A 69 -25.491 -13.524 -2.185 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -27.665 -13.203 -1.027 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -26.774 -11.670 -1.183 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -28.143 -12.018 -2.265 1.00 0.00 H new ATOM 771 N GLY A 70 -27.621 -13.977 -4.645 1.00 0.00 N ATOM 772 CA GLY A 70 -28.276 -14.980 -5.498 1.00 0.00 C ATOM 773 C GLY A 70 -27.327 -15.610 -6.523 1.00 0.00 C ATOM 774 O GLY A 70 -27.766 -16.056 -7.589 1.00 0.00 O ATOM 0 H GLY A 70 -27.655 -13.031 -5.024 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -28.695 -15.765 -4.869 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -29.110 -14.513 -6.023 1.00 0.00 H new ATOM 778 N GLU A 71 -26.026 -15.635 -6.192 1.00 0.00 N ATOM 779 CA GLU A 71 -24.973 -16.257 -7.011 1.00 0.00 C ATOM 780 C GLU A 71 -23.968 -16.947 -6.076 1.00 0.00 C ATOM 781 O GLU A 71 -23.813 -16.522 -4.922 1.00 0.00 O ATOM 782 CB GLU A 71 -24.264 -15.168 -7.879 1.00 0.00 C ATOM 783 CG GLU A 71 -23.154 -15.685 -8.829 1.00 0.00 C ATOM 784 CD GLU A 71 -23.650 -16.719 -9.857 1.00 0.00 C ATOM 785 OE1 GLU A 71 -24.283 -16.318 -10.857 1.00 0.00 O ATOM 786 OE2 GLU A 71 -23.426 -17.940 -9.661 1.00 0.00 O ATOM 0 H GLU A 71 -25.670 -15.216 -5.333 1.00 0.00 H new ATOM 0 HA GLU A 71 -25.406 -16.997 -7.684 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -25.019 -14.657 -8.476 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -23.828 -14.424 -7.212 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -22.719 -14.838 -9.360 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -22.357 -16.131 -8.234 1.00 0.00 H new ATOM 793 N ASP A 72 -23.305 -18.006 -6.589 1.00 0.00 N ATOM 794 CA ASP A 72 -22.224 -18.723 -5.881 1.00 0.00 C ATOM 795 C ASP A 72 -21.151 -17.720 -5.409 1.00 0.00 C ATOM 796 O ASP A 72 -20.682 -16.946 -6.234 1.00 0.00 O ATOM 797 CB ASP A 72 -21.579 -19.773 -6.829 1.00 0.00 C ATOM 798 CG ASP A 72 -20.424 -20.561 -6.186 1.00 0.00 C ATOM 799 OD1 ASP A 72 -19.254 -20.125 -6.276 1.00 0.00 O ATOM 800 OD2 ASP A 72 -20.686 -21.617 -5.581 1.00 0.00 O ATOM 0 H ASP A 72 -23.507 -18.389 -7.512 1.00 0.00 H new ATOM 0 HA ASP A 72 -22.644 -19.233 -5.014 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -22.347 -20.474 -7.157 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -21.209 -19.266 -7.720 1.00 0.00 H new ATOM 805 N PRO A 73 -20.753 -17.720 -4.088 1.00 0.00 N ATOM 806 CA PRO A 73 -19.845 -16.686 -3.507 1.00 0.00 C ATOM 807 C PRO A 73 -18.495 -16.525 -4.252 1.00 0.00 C ATOM 808 O PRO A 73 -17.965 -15.412 -4.351 1.00 0.00 O ATOM 809 CB PRO A 73 -19.629 -17.175 -2.050 1.00 0.00 C ATOM 810 CG PRO A 73 -20.830 -18.023 -1.750 1.00 0.00 C ATOM 811 CD PRO A 73 -21.167 -18.711 -3.053 1.00 0.00 C ATOM 0 HA PRO A 73 -20.287 -15.693 -3.583 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -18.707 -17.748 -1.958 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -19.554 -16.336 -1.358 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -20.613 -18.749 -0.966 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -21.664 -17.415 -1.399 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -20.628 -19.652 -3.161 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -22.230 -18.942 -3.121 1.00 0.00 H new ATOM 819 N VAL A 74 -17.959 -17.636 -4.785 1.00 0.00 N ATOM 820 CA VAL A 74 -16.672 -17.626 -5.511 1.00 0.00 C ATOM 821 C VAL A 74 -16.861 -16.960 -6.884 1.00 0.00 C ATOM 822 O VAL A 74 -16.114 -16.054 -7.253 1.00 0.00 O ATOM 823 CB VAL A 74 -16.066 -19.069 -5.691 1.00 0.00 C ATOM 824 CG1 VAL A 74 -14.643 -19.005 -6.300 1.00 0.00 C ATOM 825 CG2 VAL A 74 -16.063 -19.851 -4.352 1.00 0.00 C ATOM 0 H VAL A 74 -18.396 -18.556 -4.728 1.00 0.00 H new ATOM 0 HA VAL A 74 -15.963 -17.056 -4.911 1.00 0.00 H new ATOM 0 HB VAL A 74 -16.706 -19.610 -6.389 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -14.250 -20.015 -6.413 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -14.686 -18.521 -7.276 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -13.990 -18.433 -5.640 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -15.639 -20.842 -4.511 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -15.463 -19.313 -3.618 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -17.085 -19.948 -3.985 1.00 0.00 H new ATOM 835 N VAL A 75 -17.915 -17.406 -7.601 1.00 0.00 N ATOM 836 CA VAL A 75 -18.292 -16.878 -8.935 1.00 0.00 C ATOM 837 C VAL A 75 -18.669 -15.383 -8.846 1.00 0.00 C ATOM 838 O VAL A 75 -18.386 -14.600 -9.757 1.00 0.00 O ATOM 839 CB VAL A 75 -19.493 -17.697 -9.540 1.00 0.00 C ATOM 840 CG1 VAL A 75 -19.965 -17.117 -10.898 1.00 0.00 C ATOM 841 CG2 VAL A 75 -19.119 -19.192 -9.676 1.00 0.00 C ATOM 0 H VAL A 75 -18.533 -18.147 -7.271 1.00 0.00 H new ATOM 0 HA VAL A 75 -17.429 -16.983 -9.592 1.00 0.00 H new ATOM 0 HB VAL A 75 -20.330 -17.611 -8.847 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -20.795 -17.712 -11.279 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -20.291 -16.086 -10.760 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -19.141 -17.144 -11.611 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -19.962 -19.741 -10.096 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -18.256 -19.293 -10.334 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -18.875 -19.597 -8.694 1.00 0.00 H new ATOM 851 N ALA A 76 -19.287 -15.023 -7.716 1.00 0.00 N ATOM 852 CA ALA A 76 -19.772 -13.668 -7.415 1.00 0.00 C ATOM 853 C ALA A 76 -18.601 -12.715 -7.150 1.00 0.00 C ATOM 854 O ALA A 76 -18.668 -11.528 -7.479 1.00 0.00 O ATOM 855 CB ALA A 76 -20.713 -13.714 -6.202 1.00 0.00 C ATOM 0 H ALA A 76 -19.470 -15.685 -6.962 1.00 0.00 H new ATOM 0 HA ALA A 76 -20.320 -13.292 -8.279 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -21.071 -12.709 -5.981 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -21.562 -14.361 -6.424 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -20.175 -14.105 -5.339 1.00 0.00 H new ATOM 861 N LEU A 77 -17.546 -13.253 -6.524 1.00 0.00 N ATOM 862 CA LEU A 77 -16.301 -12.515 -6.255 1.00 0.00 C ATOM 863 C LEU A 77 -15.491 -12.323 -7.552 1.00 0.00 C ATOM 864 O LEU A 77 -14.947 -11.246 -7.788 1.00 0.00 O ATOM 865 CB LEU A 77 -15.491 -13.251 -5.163 1.00 0.00 C ATOM 866 CG LEU A 77 -14.173 -12.568 -4.665 1.00 0.00 C ATOM 867 CD1 LEU A 77 -14.356 -11.073 -4.321 1.00 0.00 C ATOM 868 CD2 LEU A 77 -13.615 -13.343 -3.458 1.00 0.00 C ATOM 0 H LEU A 77 -17.530 -14.216 -6.188 1.00 0.00 H new ATOM 0 HA LEU A 77 -16.539 -11.518 -5.883 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -16.142 -13.397 -4.301 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -15.236 -14.241 -5.541 1.00 0.00 H new ATOM 0 HG LEU A 77 -13.459 -12.601 -5.488 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -13.406 -10.659 -3.982 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -14.692 -10.534 -5.207 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -15.099 -10.970 -3.530 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -12.698 -12.867 -3.112 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -14.350 -13.342 -2.653 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -13.402 -14.371 -3.752 1.00 0.00 H new ATOM 880 N GLU A 78 -15.456 -13.364 -8.401 1.00 0.00 N ATOM 881 CA GLU A 78 -14.850 -13.289 -9.755 1.00 0.00 C ATOM 882 C GLU A 78 -15.605 -12.257 -10.623 1.00 0.00 C ATOM 883 O GLU A 78 -15.002 -11.523 -11.422 1.00 0.00 O ATOM 884 CB GLU A 78 -14.876 -14.690 -10.423 1.00 0.00 C ATOM 885 CG GLU A 78 -14.023 -15.753 -9.699 1.00 0.00 C ATOM 886 CD GLU A 78 -14.135 -17.153 -10.316 1.00 0.00 C ATOM 887 OE1 GLU A 78 -13.356 -17.475 -11.241 1.00 0.00 O ATOM 888 OE2 GLU A 78 -15.015 -17.933 -9.890 1.00 0.00 O ATOM 0 H GLU A 78 -15.843 -14.280 -8.176 1.00 0.00 H new ATOM 0 HA GLU A 78 -13.813 -12.965 -9.664 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -15.908 -15.039 -10.470 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -14.524 -14.597 -11.450 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -12.979 -15.441 -9.714 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -14.327 -15.800 -8.653 1.00 0.00 H new ATOM 895 N ALA A 79 -16.935 -12.204 -10.428 1.00 0.00 N ATOM 896 CA ALA A 79 -17.831 -11.241 -11.095 1.00 0.00 C ATOM 897 C ALA A 79 -17.617 -9.825 -10.535 1.00 0.00 C ATOM 898 O ALA A 79 -17.740 -8.839 -11.266 1.00 0.00 O ATOM 899 CB ALA A 79 -19.295 -11.684 -10.928 1.00 0.00 C ATOM 0 H ALA A 79 -17.424 -12.837 -9.795 1.00 0.00 H new ATOM 0 HA ALA A 79 -17.595 -11.218 -12.159 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -19.951 -10.968 -11.423 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -19.430 -12.669 -11.375 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -19.543 -11.730 -9.867 1.00 0.00 H new ATOM 905 N ALA A 80 -17.278 -9.752 -9.234 1.00 0.00 N ATOM 906 CA ALA A 80 -17.020 -8.485 -8.530 1.00 0.00 C ATOM 907 C ALA A 80 -15.761 -7.792 -9.078 1.00 0.00 C ATOM 908 O ALA A 80 -15.769 -6.589 -9.302 1.00 0.00 O ATOM 909 CB ALA A 80 -16.900 -8.716 -7.015 1.00 0.00 C ATOM 0 H ALA A 80 -17.175 -10.575 -8.640 1.00 0.00 H new ATOM 0 HA ALA A 80 -17.869 -7.825 -8.708 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -16.709 -7.766 -6.516 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -17.829 -9.144 -6.638 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -16.077 -9.402 -6.816 1.00 0.00 H new ATOM 915 N LEU A 81 -14.684 -8.573 -9.306 1.00 0.00 N ATOM 916 CA LEU A 81 -13.428 -8.047 -9.892 1.00 0.00 C ATOM 917 C LEU A 81 -13.618 -7.646 -11.373 1.00 0.00 C ATOM 918 O LEU A 81 -12.952 -6.719 -11.857 1.00 0.00 O ATOM 919 CB LEU A 81 -12.245 -9.058 -9.736 1.00 0.00 C ATOM 920 CG LEU A 81 -11.500 -9.059 -8.364 1.00 0.00 C ATOM 921 CD1 LEU A 81 -10.966 -7.650 -8.015 1.00 0.00 C ATOM 922 CD2 LEU A 81 -12.379 -9.623 -7.231 1.00 0.00 C ATOM 0 H LEU A 81 -14.657 -9.570 -9.094 1.00 0.00 H new ATOM 0 HA LEU A 81 -13.169 -7.149 -9.332 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.630 -10.062 -9.915 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.516 -8.852 -10.519 1.00 0.00 H new ATOM 0 HG LEU A 81 -10.643 -9.725 -8.464 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.452 -7.683 -7.054 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -10.270 -7.323 -8.788 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -11.799 -6.949 -7.957 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.821 -9.605 -6.295 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -13.277 -9.014 -7.130 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -12.661 -10.649 -7.466 1.00 0.00 H new ATOM 934 N GLN A 82 -14.526 -8.344 -12.072 1.00 0.00 N ATOM 935 CA GLN A 82 -14.874 -8.035 -13.473 1.00 0.00 C ATOM 936 C GLN A 82 -15.720 -6.741 -13.555 1.00 0.00 C ATOM 937 O GLN A 82 -15.697 -6.025 -14.566 1.00 0.00 O ATOM 938 CB GLN A 82 -15.638 -9.230 -14.108 1.00 0.00 C ATOM 939 CG GLN A 82 -15.955 -9.058 -15.608 1.00 0.00 C ATOM 940 CD GLN A 82 -16.735 -10.222 -16.211 1.00 0.00 C ATOM 941 OE1 GLN A 82 -17.963 -10.219 -16.234 1.00 0.00 O ATOM 942 NE2 GLN A 82 -16.028 -11.234 -16.694 1.00 0.00 N ATOM 0 H GLN A 82 -15.040 -9.136 -11.686 1.00 0.00 H new ATOM 0 HA GLN A 82 -13.953 -7.871 -14.033 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -15.046 -10.136 -13.976 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -16.572 -9.378 -13.566 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -16.526 -8.140 -15.746 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -15.020 -8.937 -16.156 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -15.009 -11.206 -16.660 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -16.503 -12.040 -17.100 1.00 0.00 H new ATOM 951 N PHE A 83 -16.464 -6.450 -12.477 1.00 0.00 N ATOM 952 CA PHE A 83 -17.376 -5.296 -12.412 1.00 0.00 C ATOM 953 C PHE A 83 -16.671 -4.101 -11.729 1.00 0.00 C ATOM 954 O PHE A 83 -16.277 -4.187 -10.564 1.00 0.00 O ATOM 955 CB PHE A 83 -18.661 -5.713 -11.650 1.00 0.00 C ATOM 956 CG PHE A 83 -19.834 -4.733 -11.702 1.00 0.00 C ATOM 957 CD1 PHE A 83 -20.021 -3.867 -12.786 1.00 0.00 C ATOM 958 CD2 PHE A 83 -20.782 -4.714 -10.680 1.00 0.00 C ATOM 959 CE1 PHE A 83 -21.112 -3.017 -12.837 1.00 0.00 C ATOM 960 CE2 PHE A 83 -21.866 -3.862 -10.732 1.00 0.00 C ATOM 961 CZ PHE A 83 -22.033 -3.013 -11.811 1.00 0.00 C ATOM 0 H PHE A 83 -16.451 -7.009 -11.624 1.00 0.00 H new ATOM 0 HA PHE A 83 -17.655 -4.979 -13.417 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -18.998 -6.670 -12.048 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -18.400 -5.877 -10.605 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -19.304 -3.862 -13.594 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -20.666 -5.376 -9.835 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -21.242 -2.356 -13.681 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -22.587 -3.858 -9.927 1.00 0.00 H new ATOM 0 HZ PHE A 83 -22.883 -2.348 -11.850 1.00 0.00 H new ATOM 971 N GLU A 84 -16.540 -2.982 -12.468 1.00 0.00 N ATOM 972 CA GLU A 84 -15.818 -1.757 -12.024 1.00 0.00 C ATOM 973 C GLU A 84 -16.397 -1.150 -10.730 1.00 0.00 C ATOM 974 O GLU A 84 -15.678 -0.517 -9.947 1.00 0.00 O ATOM 975 CB GLU A 84 -15.850 -0.707 -13.163 1.00 0.00 C ATOM 976 CG GLU A 84 -17.270 -0.325 -13.637 1.00 0.00 C ATOM 977 CD GLU A 84 -17.264 0.565 -14.885 1.00 0.00 C ATOM 978 OE1 GLU A 84 -16.999 0.043 -15.992 1.00 0.00 O ATOM 979 OE2 GLU A 84 -17.516 1.786 -14.769 1.00 0.00 O ATOM 0 H GLU A 84 -16.936 -2.895 -13.404 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.792 -2.047 -11.798 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -15.338 0.194 -12.825 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -15.288 -1.093 -14.013 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -17.834 -1.234 -13.848 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -17.790 0.192 -12.831 1.00 0.00 H new ATOM 986 N ASP A 85 -17.696 -1.380 -10.523 1.00 0.00 N ATOM 987 CA ASP A 85 -18.469 -0.798 -9.414 1.00 0.00 C ATOM 988 C ASP A 85 -18.241 -1.551 -8.083 1.00 0.00 C ATOM 989 O ASP A 85 -18.511 -1.008 -7.009 1.00 0.00 O ATOM 990 CB ASP A 85 -19.973 -0.798 -9.803 1.00 0.00 C ATOM 991 CG ASP A 85 -20.912 -0.233 -8.719 1.00 0.00 C ATOM 992 OD1 ASP A 85 -20.911 0.998 -8.500 1.00 0.00 O ATOM 993 OD2 ASP A 85 -21.656 -1.014 -8.080 1.00 0.00 O ATOM 0 H ASP A 85 -18.252 -1.984 -11.128 1.00 0.00 H new ATOM 0 HA ASP A 85 -18.127 0.224 -9.248 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -20.100 -0.215 -10.715 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -20.276 -1.820 -10.032 1.00 0.00 H new ATOM 998 N THR A 86 -17.757 -2.806 -8.151 1.00 0.00 N ATOM 999 CA THR A 86 -17.627 -3.680 -6.956 1.00 0.00 C ATOM 1000 C THR A 86 -16.183 -4.195 -6.745 1.00 0.00 C ATOM 1001 O THR A 86 -15.868 -4.724 -5.665 1.00 0.00 O ATOM 1002 CB THR A 86 -18.623 -4.885 -7.068 1.00 0.00 C ATOM 1003 OG1 THR A 86 -18.411 -5.569 -8.309 1.00 0.00 O ATOM 1004 CG2 THR A 86 -20.089 -4.417 -6.991 1.00 0.00 C ATOM 0 H THR A 86 -17.448 -3.243 -9.019 1.00 0.00 H new ATOM 0 HA THR A 86 -17.875 -3.074 -6.084 1.00 0.00 H new ATOM 0 HB THR A 86 -18.434 -5.555 -6.229 1.00 0.00 H new ATOM 0 HG1 THR A 86 -17.459 -5.782 -8.407 1.00 0.00 H new ATOM 0 HG21 THR A 86 -20.751 -5.279 -7.072 1.00 0.00 H new ATOM 0 HG22 THR A 86 -20.261 -3.916 -6.039 1.00 0.00 H new ATOM 0 HG23 THR A 86 -20.293 -3.725 -7.808 1.00 0.00 H new ATOM 1012 N ARG A 87 -15.309 -4.017 -7.766 1.00 0.00 N ATOM 1013 CA ARG A 87 -13.886 -4.464 -7.721 1.00 0.00 C ATOM 1014 C ARG A 87 -13.075 -3.636 -6.711 1.00 0.00 C ATOM 1015 O ARG A 87 -12.066 -4.111 -6.169 1.00 0.00 O ATOM 1016 CB ARG A 87 -13.225 -4.344 -9.126 1.00 0.00 C ATOM 1017 CG ARG A 87 -13.071 -2.893 -9.623 1.00 0.00 C ATOM 1018 CD ARG A 87 -12.343 -2.780 -10.966 1.00 0.00 C ATOM 1019 NE ARG A 87 -12.185 -1.363 -11.357 1.00 0.00 N ATOM 1020 CZ ARG A 87 -11.830 -0.924 -12.568 1.00 0.00 C ATOM 1021 NH1 ARG A 87 -11.617 -1.771 -13.574 1.00 0.00 N ATOM 1022 NH2 ARG A 87 -11.695 0.381 -12.772 1.00 0.00 N ATOM 0 H ARG A 87 -15.565 -3.562 -8.642 1.00 0.00 H new ATOM 0 HA ARG A 87 -13.884 -5.508 -7.407 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -12.242 -4.813 -9.095 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -13.822 -4.903 -9.846 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -14.059 -2.442 -9.716 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -12.527 -2.317 -8.874 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -11.364 -3.254 -10.896 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -12.902 -3.314 -11.734 1.00 0.00 H new ATOM 0 HE ARG A 87 -12.362 -0.659 -10.640 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -11.724 -2.775 -13.427 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -11.347 -1.416 -14.491 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -11.862 1.036 -12.009 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -11.424 0.728 -13.692 1.00 0.00 H new ATOM 1036 N GLU A 88 -13.539 -2.395 -6.485 1.00 0.00 N ATOM 1037 CA GLU A 88 -12.841 -1.386 -5.680 1.00 0.00 C ATOM 1038 C GLU A 88 -12.643 -1.888 -4.244 1.00 0.00 C ATOM 1039 O GLU A 88 -11.515 -1.982 -3.770 1.00 0.00 O ATOM 1040 CB GLU A 88 -13.651 -0.065 -5.687 1.00 0.00 C ATOM 1041 CG GLU A 88 -14.005 0.444 -7.102 1.00 0.00 C ATOM 1042 CD GLU A 88 -14.900 1.688 -7.078 1.00 0.00 C ATOM 1043 OE1 GLU A 88 -16.144 1.535 -6.995 1.00 0.00 O ATOM 1044 OE2 GLU A 88 -14.370 2.821 -7.122 1.00 0.00 O ATOM 0 H GLU A 88 -14.425 -2.062 -6.865 1.00 0.00 H new ATOM 0 HA GLU A 88 -11.858 -1.202 -6.113 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -14.572 -0.212 -5.123 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -13.079 0.704 -5.168 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -13.086 0.673 -7.641 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -14.509 -0.350 -7.654 1.00 0.00 H new ATOM 1051 N SER A 89 -13.759 -2.290 -3.605 1.00 0.00 N ATOM 1052 CA SER A 89 -13.780 -2.777 -2.211 1.00 0.00 C ATOM 1053 C SER A 89 -12.986 -4.092 -2.032 1.00 0.00 C ATOM 1054 O SER A 89 -12.560 -4.415 -0.918 1.00 0.00 O ATOM 1055 CB SER A 89 -15.237 -2.967 -1.763 1.00 0.00 C ATOM 1056 OG SER A 89 -15.982 -1.769 -1.942 1.00 0.00 O ATOM 0 H SER A 89 -14.679 -2.286 -4.045 1.00 0.00 H new ATOM 0 HA SER A 89 -13.291 -2.028 -1.588 1.00 0.00 H new ATOM 0 HB2 SER A 89 -15.695 -3.774 -2.335 1.00 0.00 H new ATOM 0 HB3 SER A 89 -15.264 -3.264 -0.715 1.00 0.00 H new ATOM 0 HG SER A 89 -16.907 -1.913 -1.652 1.00 0.00 H new ATOM 1062 N MET A 90 -12.755 -4.823 -3.144 1.00 0.00 N ATOM 1063 CA MET A 90 -12.043 -6.123 -3.130 1.00 0.00 C ATOM 1064 C MET A 90 -10.528 -5.962 -2.918 1.00 0.00 C ATOM 1065 O MET A 90 -9.814 -6.960 -2.775 1.00 0.00 O ATOM 1066 CB MET A 90 -12.357 -6.926 -4.418 1.00 0.00 C ATOM 1067 CG MET A 90 -13.852 -7.194 -4.589 1.00 0.00 C ATOM 1068 SD MET A 90 -14.557 -7.932 -3.103 1.00 0.00 S ATOM 1069 CE MET A 90 -16.306 -7.769 -3.409 1.00 0.00 C ATOM 0 H MET A 90 -13.055 -4.531 -4.074 1.00 0.00 H new ATOM 0 HA MET A 90 -12.411 -6.688 -2.274 1.00 0.00 H new ATOM 0 HB2 MET A 90 -11.988 -6.377 -5.284 1.00 0.00 H new ATOM 0 HB3 MET A 90 -11.822 -7.875 -4.391 1.00 0.00 H new ATOM 0 HG2 MET A 90 -14.368 -6.261 -4.814 1.00 0.00 H new ATOM 0 HG3 MET A 90 -14.010 -7.859 -5.438 1.00 0.00 H new ATOM 0 HE1 MET A 90 -16.853 -7.914 -2.478 1.00 0.00 H new ATOM 0 HE2 MET A 90 -16.515 -6.774 -3.802 1.00 0.00 H new ATOM 0 HE3 MET A 90 -16.620 -8.519 -4.135 1.00 0.00 H new ATOM 1079 N HIS A 91 -10.050 -4.699 -2.861 1.00 0.00 N ATOM 1080 CA HIS A 91 -8.670 -4.384 -2.432 1.00 0.00 C ATOM 1081 C HIS A 91 -8.483 -4.698 -0.925 1.00 0.00 C ATOM 1082 O HIS A 91 -7.358 -4.863 -0.452 1.00 0.00 O ATOM 1083 CB HIS A 91 -8.316 -2.899 -2.743 1.00 0.00 C ATOM 1084 CG HIS A 91 -8.881 -1.840 -1.802 1.00 0.00 C ATOM 1085 ND1 HIS A 91 -8.152 -0.740 -1.402 1.00 0.00 N ATOM 1086 CD2 HIS A 91 -10.102 -1.691 -1.228 1.00 0.00 C ATOM 1087 CE1 HIS A 91 -8.894 0.026 -0.629 1.00 0.00 C ATOM 1088 NE2 HIS A 91 -10.080 -0.529 -0.509 1.00 0.00 N ATOM 0 H HIS A 91 -10.603 -3.878 -3.108 1.00 0.00 H new ATOM 0 HA HIS A 91 -7.984 -5.015 -2.997 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -7.230 -2.804 -2.747 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -8.660 -2.673 -3.752 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -10.939 -2.368 -1.322 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -8.581 0.953 -0.171 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -10.858 -0.153 0.033 1.00 0.00 H new ATOM 1097 N ALA A 92 -9.615 -4.747 -0.192 1.00 0.00 N ATOM 1098 CA ALA A 92 -9.653 -5.126 1.229 1.00 0.00 C ATOM 1099 C ALA A 92 -9.825 -6.646 1.392 1.00 0.00 C ATOM 1100 O ALA A 92 -9.363 -7.217 2.379 1.00 0.00 O ATOM 1101 CB ALA A 92 -10.784 -4.381 1.947 1.00 0.00 C ATOM 0 H ALA A 92 -10.533 -4.522 -0.576 1.00 0.00 H new ATOM 0 HA ALA A 92 -8.702 -4.844 1.681 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -10.801 -4.671 2.998 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -10.619 -3.306 1.869 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -11.738 -4.635 1.485 1.00 0.00 H new ATOM 1107 N PHE A 93 -10.500 -7.287 0.413 1.00 0.00 N ATOM 1108 CA PHE A 93 -10.777 -8.745 0.438 1.00 0.00 C ATOM 1109 C PHE A 93 -9.558 -9.557 -0.031 1.00 0.00 C ATOM 1110 O PHE A 93 -9.421 -10.735 0.320 1.00 0.00 O ATOM 1111 CB PHE A 93 -12.023 -9.081 -0.431 1.00 0.00 C ATOM 1112 CG PHE A 93 -13.345 -8.582 0.157 1.00 0.00 C ATOM 1113 CD1 PHE A 93 -13.726 -7.245 0.037 1.00 0.00 C ATOM 1114 CD2 PHE A 93 -14.199 -9.445 0.846 1.00 0.00 C ATOM 1115 CE1 PHE A 93 -14.913 -6.788 0.575 1.00 0.00 C ATOM 1116 CE2 PHE A 93 -15.384 -8.986 1.387 1.00 0.00 C ATOM 1117 CZ PHE A 93 -15.740 -7.658 1.251 1.00 0.00 C ATOM 0 H PHE A 93 -10.867 -6.814 -0.413 1.00 0.00 H new ATOM 0 HA PHE A 93 -10.986 -9.025 1.471 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -11.890 -8.646 -1.421 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -12.081 -10.161 -0.563 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -13.081 -6.555 -0.486 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -13.930 -10.485 0.957 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -15.192 -5.750 0.466 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -16.034 -9.667 1.917 1.00 0.00 H new ATOM 0 HZ PHE A 93 -16.667 -7.302 1.675 1.00 0.00 H new ATOM 1127 N CYS A 94 -8.674 -8.923 -0.831 1.00 0.00 N ATOM 1128 CA CYS A 94 -7.405 -9.534 -1.234 1.00 0.00 C ATOM 1129 C CYS A 94 -6.423 -9.470 -0.058 1.00 0.00 C ATOM 1130 O CYS A 94 -6.011 -8.380 0.357 1.00 0.00 O ATOM 1131 CB CYS A 94 -6.816 -8.846 -2.488 1.00 0.00 C ATOM 1132 SG CYS A 94 -6.474 -7.082 -2.297 1.00 0.00 S ATOM 0 H CYS A 94 -8.823 -7.987 -1.207 1.00 0.00 H new ATOM 0 HA CYS A 94 -7.584 -10.576 -1.501 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -5.891 -9.353 -2.762 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -7.510 -8.979 -3.318 1.00 0.00 H new ATOM 0 HG CYS A 94 -6.580 -6.753 -1.044 1.00 0.00 H new ATOM 1138 N VAL A 95 -6.110 -10.641 0.518 1.00 0.00 N ATOM 1139 CA VAL A 95 -5.100 -10.770 1.586 1.00 0.00 C ATOM 1140 C VAL A 95 -3.682 -10.538 1.009 1.00 0.00 C ATOM 1141 O VAL A 95 -2.760 -10.140 1.728 1.00 0.00 O ATOM 1142 CB VAL A 95 -5.198 -12.168 2.303 1.00 0.00 C ATOM 1143 CG1 VAL A 95 -6.605 -12.387 2.916 1.00 0.00 C ATOM 1144 CG2 VAL A 95 -4.828 -13.326 1.352 1.00 0.00 C ATOM 0 H VAL A 95 -6.548 -11.525 0.259 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.298 -10.006 2.338 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.471 -12.164 3.115 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -6.642 -13.361 3.404 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -6.808 -11.606 3.649 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -7.356 -12.348 2.127 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -4.908 -14.274 1.884 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -5.509 -13.329 0.501 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -3.806 -13.194 0.998 1.00 0.00 H new ATOM 1154 N GLY A 96 -3.547 -10.789 -0.308 1.00 0.00 N ATOM 1155 CA GLY A 96 -2.307 -10.559 -1.035 1.00 0.00 C ATOM 1156 C GLY A 96 -2.338 -11.202 -2.413 1.00 0.00 C ATOM 1157 O GLY A 96 -3.413 -11.477 -2.957 1.00 0.00 O ATOM 0 H GLY A 96 -4.301 -11.157 -0.888 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -2.138 -9.487 -1.137 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -1.470 -10.961 -0.464 1.00 0.00 H new ATOM 1161 N GLN A 97 -1.145 -11.427 -2.981 1.00 0.00 N ATOM 1162 CA GLN A 97 -0.964 -12.066 -4.294 1.00 0.00 C ATOM 1163 C GLN A 97 -0.542 -13.524 -4.107 1.00 0.00 C ATOM 1164 O GLN A 97 0.271 -13.827 -3.236 1.00 0.00 O ATOM 1165 CB GLN A 97 0.105 -11.293 -5.101 1.00 0.00 C ATOM 1166 CG GLN A 97 0.393 -11.818 -6.516 1.00 0.00 C ATOM 1167 CD GLN A 97 1.407 -10.961 -7.278 1.00 0.00 C ATOM 1168 OE1 GLN A 97 1.506 -9.751 -7.070 1.00 0.00 O ATOM 1169 NE2 GLN A 97 2.169 -11.580 -8.157 1.00 0.00 N ATOM 0 H GLN A 97 -0.265 -11.167 -2.535 1.00 0.00 H new ATOM 0 HA GLN A 97 -1.905 -12.045 -4.843 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -0.209 -10.252 -5.178 1.00 0.00 H new ATOM 0 HB3 GLN A 97 1.036 -11.303 -4.535 1.00 0.00 H new ATOM 0 HG2 GLN A 97 0.767 -12.840 -6.449 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -0.539 -11.856 -7.080 1.00 0.00 H new ATOM 0 HE21 GLN A 97 2.063 -12.583 -8.307 1.00 0.00 H new ATOM 0 HE22 GLN A 97 2.865 -11.056 -8.688 1.00 0.00 H new ATOM 1178 N TYR A 98 -1.092 -14.408 -4.943 1.00 0.00 N ATOM 1179 CA TYR A 98 -0.779 -15.834 -4.924 1.00 0.00 C ATOM 1180 C TYR A 98 0.565 -16.098 -5.631 1.00 0.00 C ATOM 1181 O TYR A 98 0.735 -15.722 -6.794 1.00 0.00 O ATOM 1182 CB TYR A 98 -1.910 -16.645 -5.600 1.00 0.00 C ATOM 1183 CG TYR A 98 -1.684 -18.164 -5.577 1.00 0.00 C ATOM 1184 CD1 TYR A 98 -1.828 -18.891 -4.394 1.00 0.00 C ATOM 1185 CD2 TYR A 98 -1.312 -18.859 -6.728 1.00 0.00 C ATOM 1186 CE1 TYR A 98 -1.609 -20.251 -4.367 1.00 0.00 C ATOM 1187 CE2 TYR A 98 -1.102 -20.212 -6.698 1.00 0.00 C ATOM 1188 CZ TYR A 98 -1.246 -20.905 -5.524 1.00 0.00 C ATOM 1189 OH TYR A 98 -1.021 -22.259 -5.513 1.00 0.00 O ATOM 0 H TYR A 98 -1.773 -14.149 -5.657 1.00 0.00 H new ATOM 0 HA TYR A 98 -0.695 -16.155 -3.886 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -2.853 -16.420 -5.102 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.010 -16.318 -6.635 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -2.115 -18.380 -3.487 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.188 -18.322 -7.657 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -1.721 -20.801 -3.444 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.822 -20.734 -7.601 1.00 0.00 H new ATOM 0 HH TYR A 98 -0.775 -22.557 -6.414 1.00 0.00 H new ATOM 1199 N LEU A 99 1.499 -16.745 -4.919 1.00 0.00 N ATOM 1200 CA LEU A 99 2.765 -17.226 -5.484 1.00 0.00 C ATOM 1201 C LEU A 99 2.761 -18.759 -5.388 1.00 0.00 C ATOM 1202 O LEU A 99 2.604 -19.314 -4.294 1.00 0.00 O ATOM 1203 CB LEU A 99 3.974 -16.574 -4.732 1.00 0.00 C ATOM 1204 CG LEU A 99 5.417 -16.814 -5.342 1.00 0.00 C ATOM 1205 CD1 LEU A 99 6.359 -15.618 -5.078 1.00 0.00 C ATOM 1206 CD2 LEU A 99 6.073 -18.112 -4.815 1.00 0.00 C ATOM 0 H LEU A 99 1.394 -16.950 -3.925 1.00 0.00 H new ATOM 0 HA LEU A 99 2.870 -16.940 -6.530 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.802 -15.499 -4.683 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.974 -16.944 -3.707 1.00 0.00 H new ATOM 0 HG LEU A 99 5.269 -16.918 -6.417 1.00 0.00 H new ATOM 0 HD11 LEU A 99 7.338 -15.823 -5.512 1.00 0.00 H new ATOM 0 HD12 LEU A 99 5.942 -14.719 -5.532 1.00 0.00 H new ATOM 0 HD13 LEU A 99 6.463 -15.467 -4.004 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.059 -18.229 -5.264 1.00 0.00 H new ATOM 0 HD22 LEU A 99 6.172 -18.056 -3.731 1.00 0.00 H new ATOM 0 HD23 LEU A 99 5.451 -18.967 -5.079 1.00 0.00 H new ATOM 1218 N GLU A 100 2.881 -19.429 -6.547 1.00 0.00 N ATOM 1219 CA GLU A 100 2.912 -20.902 -6.640 1.00 0.00 C ATOM 1220 C GLU A 100 4.221 -21.459 -6.027 1.00 0.00 C ATOM 1221 O GLU A 100 5.278 -20.841 -6.201 1.00 0.00 O ATOM 1222 CB GLU A 100 2.813 -21.325 -8.133 1.00 0.00 C ATOM 1223 CG GLU A 100 1.540 -20.862 -8.857 1.00 0.00 C ATOM 1224 CD GLU A 100 1.580 -21.114 -10.374 1.00 0.00 C ATOM 1225 OE1 GLU A 100 2.257 -20.345 -11.098 1.00 0.00 O ATOM 1226 OE2 GLU A 100 0.945 -22.077 -10.848 1.00 0.00 O ATOM 0 H GLU A 100 2.960 -18.963 -7.451 1.00 0.00 H new ATOM 0 HA GLU A 100 2.068 -21.309 -6.083 1.00 0.00 H new ATOM 0 HB2 GLU A 100 3.679 -20.931 -8.665 1.00 0.00 H new ATOM 0 HB3 GLU A 100 2.871 -22.412 -8.191 1.00 0.00 H new ATOM 0 HG2 GLU A 100 0.680 -21.379 -8.432 1.00 0.00 H new ATOM 0 HG3 GLU A 100 1.394 -19.797 -8.676 1.00 0.00 H new ATOM 1233 N PRO A 101 4.183 -22.640 -5.326 1.00 0.00 N ATOM 1234 CA PRO A 101 5.407 -23.296 -4.777 1.00 0.00 C ATOM 1235 C PRO A 101 6.498 -23.548 -5.855 1.00 0.00 C ATOM 1236 O PRO A 101 7.689 -23.508 -5.547 1.00 0.00 O ATOM 1237 CB PRO A 101 4.868 -24.630 -4.176 1.00 0.00 C ATOM 1238 CG PRO A 101 3.499 -24.804 -4.775 1.00 0.00 C ATOM 1239 CD PRO A 101 2.964 -23.409 -4.967 1.00 0.00 C ATOM 0 HA PRO A 101 5.911 -22.667 -4.043 1.00 0.00 H new ATOM 0 HB2 PRO A 101 5.518 -25.467 -4.429 1.00 0.00 H new ATOM 0 HB3 PRO A 101 4.819 -24.581 -3.088 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.551 -25.339 -5.723 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.853 -25.385 -4.116 1.00 0.00 H new ATOM 0 HD2 PRO A 101 2.212 -23.368 -5.755 1.00 0.00 H new ATOM 0 HD3 PRO A 101 2.496 -23.026 -4.060 1.00 0.00 H new ATOM 1247 N ASP A 102 6.061 -23.786 -7.113 1.00 0.00 N ATOM 1248 CA ASP A 102 6.963 -23.989 -8.280 1.00 0.00 C ATOM 1249 C ASP A 102 7.429 -22.636 -8.870 1.00 0.00 C ATOM 1250 O ASP A 102 8.534 -22.532 -9.408 1.00 0.00 O ATOM 1251 CB ASP A 102 6.238 -24.831 -9.376 1.00 0.00 C ATOM 1252 CG ASP A 102 7.114 -25.131 -10.618 1.00 0.00 C ATOM 1253 OD1 ASP A 102 8.100 -25.888 -10.490 1.00 0.00 O ATOM 1254 OD2 ASP A 102 6.815 -24.638 -11.730 1.00 0.00 O ATOM 0 H ASP A 102 5.071 -23.844 -7.352 1.00 0.00 H new ATOM 0 HA ASP A 102 7.845 -24.529 -7.936 1.00 0.00 H new ATOM 0 HB2 ASP A 102 5.910 -25.774 -8.938 1.00 0.00 H new ATOM 0 HB3 ASP A 102 5.342 -24.299 -9.695 1.00 0.00 H new ATOM 1259 N GLN A 103 6.578 -21.602 -8.721 1.00 0.00 N ATOM 1260 CA GLN A 103 6.800 -20.261 -9.313 1.00 0.00 C ATOM 1261 C GLN A 103 7.993 -19.532 -8.663 1.00 0.00 C ATOM 1262 O GLN A 103 8.571 -18.621 -9.260 1.00 0.00 O ATOM 1263 CB GLN A 103 5.515 -19.419 -9.167 1.00 0.00 C ATOM 1264 CG GLN A 103 5.479 -18.107 -9.945 1.00 0.00 C ATOM 1265 CD GLN A 103 4.223 -17.286 -9.658 1.00 0.00 C ATOM 1266 OE1 GLN A 103 4.211 -16.447 -8.755 1.00 0.00 O ATOM 1267 NE2 GLN A 103 3.155 -17.542 -10.398 1.00 0.00 N ATOM 0 H GLN A 103 5.713 -21.670 -8.185 1.00 0.00 H new ATOM 0 HA GLN A 103 7.040 -20.392 -10.368 1.00 0.00 H new ATOM 0 HB2 GLN A 103 4.668 -20.028 -9.483 1.00 0.00 H new ATOM 0 HB3 GLN A 103 5.370 -19.195 -8.110 1.00 0.00 H new ATOM 0 HG2 GLN A 103 6.360 -17.516 -9.694 1.00 0.00 H new ATOM 0 HG3 GLN A 103 5.532 -18.321 -11.013 1.00 0.00 H new ATOM 0 HE21 GLN A 103 3.203 -18.244 -11.137 1.00 0.00 H new ATOM 0 HE22 GLN A 103 2.285 -17.038 -10.229 1.00 0.00 H new