USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 429 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 SER OG : rot 91:sc= 0.0991 USER MOD Set 1.2: A 49 TYR OH : rot -169:sc= 0.589 USER MOD Set 2.1: A 20 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 22 THR OG1 : rot 52:sc= 0.854 USER MOD Single : A 2 THR OG1 : rot 24:sc= 0.445 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 1.01 K(o=1,f=-5.1!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.0119 USER MOD Single : A 24 ASN : amide:sc= -0.403 X(o=-0.4,f=-0.78) USER MOD Single : A 26 LYS NZ :NH3+ 171:sc= -0.0206 (180deg=-0.134) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 165:sc=-0.00853 USER MOD Single : A 43 TYR OH : rot -134:sc= 1.24 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 34:sc= -2.1! USER MOD Single : A 48 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 51 SER OG : rot 82:sc= 1.31 USER MOD Single : A 63 THR OG1 : rot -57:sc= 0.966 USER MOD Single : A 67 SER OG : rot -171:sc= -1.29 USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 14.126 6.142 12.029 1.00 0.00 N ATOM 21 CA THR A 2 13.077 6.909 11.353 1.00 0.00 C ATOM 22 C THR A 2 12.493 6.153 10.151 1.00 0.00 C ATOM 23 O THR A 2 11.765 6.719 9.332 1.00 0.00 O ATOM 24 CB THR A 2 13.617 8.288 10.909 1.00 0.00 C ATOM 25 OG1 THR A 2 14.468 8.818 11.935 1.00 0.00 O ATOM 26 CG2 THR A 2 12.486 9.275 10.662 1.00 0.00 C ATOM 0 HA THR A 2 12.269 7.055 12.070 1.00 0.00 H new ATOM 0 HB THR A 2 14.169 8.148 9.980 1.00 0.00 H new ATOM 0 HG1 THR A 2 14.821 8.083 12.479 1.00 0.00 H new ATOM 0 HG21 THR A 2 12.901 10.234 10.351 1.00 0.00 H new ATOM 0 HG22 THR A 2 11.833 8.891 9.878 1.00 0.00 H new ATOM 0 HG23 THR A 2 11.912 9.408 11.579 1.00 0.00 H new ATOM 34 N HIS A 3 12.805 4.868 10.051 1.00 0.00 N ATOM 35 CA HIS A 3 12.266 4.050 8.976 1.00 0.00 C ATOM 36 C HIS A 3 11.685 2.755 9.531 1.00 0.00 C ATOM 37 O HIS A 3 12.223 2.174 10.477 1.00 0.00 O ATOM 38 CB HIS A 3 13.335 3.759 7.906 1.00 0.00 C ATOM 39 CG HIS A 3 14.329 2.696 8.270 1.00 0.00 C ATOM 40 ND1 HIS A 3 14.287 1.419 7.750 1.00 0.00 N ATOM 41 CD2 HIS A 3 15.402 2.728 9.091 1.00 0.00 C ATOM 42 CE1 HIS A 3 15.291 0.716 8.234 1.00 0.00 C ATOM 43 NE2 HIS A 3 15.982 1.486 9.049 1.00 0.00 N ATOM 0 H HIS A 3 13.423 4.374 10.695 1.00 0.00 H new ATOM 0 HA HIS A 3 11.463 4.609 8.496 1.00 0.00 H new ATOM 0 HB2 HIS A 3 12.833 3.465 6.984 1.00 0.00 H new ATOM 0 HB3 HIS A 3 13.875 4.682 7.694 1.00 0.00 H new ATOM 0 HD2 HIS A 3 15.740 3.574 9.672 1.00 0.00 H new ATOM 0 HE1 HIS A 3 15.510 -0.316 8.002 1.00 0.00 H new ATOM 0 HE2 HIS A 3 16.815 1.204 9.566 1.00 0.00 H new ATOM 52 N HIS A 4 10.588 2.313 8.942 1.00 0.00 N ATOM 53 CA HIS A 4 9.950 1.070 9.352 1.00 0.00 C ATOM 54 C HIS A 4 10.058 0.029 8.246 1.00 0.00 C ATOM 55 O HIS A 4 9.559 0.234 7.142 1.00 0.00 O ATOM 56 CB HIS A 4 8.471 1.297 9.702 1.00 0.00 C ATOM 57 CG HIS A 4 7.738 0.049 10.092 1.00 0.00 C ATOM 58 ND1 HIS A 4 8.157 -0.808 11.089 1.00 0.00 N ATOM 59 CD2 HIS A 4 6.608 -0.484 9.593 1.00 0.00 C ATOM 60 CE1 HIS A 4 7.310 -1.818 11.180 1.00 0.00 C ATOM 61 NE2 HIS A 4 6.359 -1.645 10.283 1.00 0.00 N ATOM 0 H HIS A 4 10.118 2.796 8.176 1.00 0.00 H new ATOM 0 HA HIS A 4 10.467 0.708 10.241 1.00 0.00 H new ATOM 0 HB2 HIS A 4 8.408 2.014 10.521 1.00 0.00 H new ATOM 0 HB3 HIS A 4 7.970 1.747 8.845 1.00 0.00 H new ATOM 0 HD2 HIS A 4 6.006 -0.074 8.795 1.00 0.00 H new ATOM 0 HE1 HIS A 4 7.384 -2.644 11.871 1.00 0.00 H new ATOM 0 HE2 HIS A 4 5.569 -2.271 10.127 1.00 0.00 H new ATOM 70 N THR A 5 10.718 -1.075 8.546 1.00 0.00 N ATOM 71 CA THR A 5 10.784 -2.194 7.626 1.00 0.00 C ATOM 72 C THR A 5 9.792 -3.261 8.071 1.00 0.00 C ATOM 73 O THR A 5 9.614 -3.483 9.269 1.00 0.00 O ATOM 74 CB THR A 5 12.193 -2.803 7.587 1.00 0.00 C ATOM 75 OG1 THR A 5 13.171 -1.770 7.760 1.00 0.00 O ATOM 76 CG2 THR A 5 12.436 -3.518 6.266 1.00 0.00 C ATOM 0 H THR A 5 11.217 -1.220 9.423 1.00 0.00 H new ATOM 0 HA THR A 5 10.539 -1.833 6.627 1.00 0.00 H new ATOM 0 HB THR A 5 12.278 -3.529 8.396 1.00 0.00 H new ATOM 0 HG1 THR A 5 14.069 -2.162 7.736 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.440 -3.942 6.261 1.00 0.00 H new ATOM 0 HG22 THR A 5 11.705 -4.317 6.145 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.337 -2.808 5.445 1.00 0.00 H new ATOM 84 N GLU A 6 9.134 -3.900 7.122 1.00 0.00 N ATOM 85 CA GLU A 6 8.151 -4.921 7.441 1.00 0.00 C ATOM 86 C GLU A 6 7.993 -5.873 6.265 1.00 0.00 C ATOM 87 O GLU A 6 8.001 -5.446 5.114 1.00 0.00 O ATOM 88 CB GLU A 6 6.809 -4.264 7.786 1.00 0.00 C ATOM 89 CG GLU A 6 5.794 -5.217 8.382 1.00 0.00 C ATOM 90 CD GLU A 6 4.544 -4.506 8.856 1.00 0.00 C ATOM 91 OE1 GLU A 6 4.649 -3.664 9.776 1.00 0.00 O ATOM 92 OE2 GLU A 6 3.452 -4.795 8.324 1.00 0.00 O ATOM 0 H GLU A 6 9.261 -3.731 6.124 1.00 0.00 H new ATOM 0 HA GLU A 6 8.492 -5.490 8.306 1.00 0.00 H new ATOM 0 HB2 GLU A 6 6.984 -3.450 8.489 1.00 0.00 H new ATOM 0 HB3 GLU A 6 6.390 -3.821 6.883 1.00 0.00 H new ATOM 0 HG2 GLU A 6 5.523 -5.966 7.638 1.00 0.00 H new ATOM 0 HG3 GLU A 6 6.246 -5.748 9.219 1.00 0.00 H new ATOM 99 N VAL A 7 7.876 -7.157 6.546 1.00 0.00 N ATOM 100 CA VAL A 7 7.710 -8.143 5.493 1.00 0.00 C ATOM 101 C VAL A 7 6.332 -8.778 5.579 1.00 0.00 C ATOM 102 O VAL A 7 6.017 -9.488 6.536 1.00 0.00 O ATOM 103 CB VAL A 7 8.790 -9.244 5.556 1.00 0.00 C ATOM 104 CG1 VAL A 7 8.554 -10.293 4.477 1.00 0.00 C ATOM 105 CG2 VAL A 7 10.181 -8.641 5.414 1.00 0.00 C ATOM 0 H VAL A 7 7.893 -7.542 7.491 1.00 0.00 H new ATOM 0 HA VAL A 7 7.817 -7.621 4.542 1.00 0.00 H new ATOM 0 HB VAL A 7 8.722 -9.730 6.529 1.00 0.00 H new ATOM 0 HG11 VAL A 7 9.327 -11.059 4.539 1.00 0.00 H new ATOM 0 HG12 VAL A 7 7.576 -10.751 4.623 1.00 0.00 H new ATOM 0 HG13 VAL A 7 8.591 -9.820 3.496 1.00 0.00 H new ATOM 0 HG21 VAL A 7 10.928 -9.434 5.461 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.258 -8.126 4.456 1.00 0.00 H new ATOM 0 HG23 VAL A 7 10.354 -7.931 6.223 1.00 0.00 H new ATOM 115 N PHE A 8 5.509 -8.517 4.580 1.00 0.00 N ATOM 116 CA PHE A 8 4.177 -9.079 4.537 1.00 0.00 C ATOM 117 C PHE A 8 4.096 -10.111 3.422 1.00 0.00 C ATOM 118 O PHE A 8 4.071 -9.757 2.245 1.00 0.00 O ATOM 119 CB PHE A 8 3.153 -7.964 4.310 1.00 0.00 C ATOM 120 CG PHE A 8 1.732 -8.359 4.589 1.00 0.00 C ATOM 121 CD1 PHE A 8 1.269 -8.445 5.893 1.00 0.00 C ATOM 122 CD2 PHE A 8 0.854 -8.630 3.553 1.00 0.00 C ATOM 123 CE1 PHE A 8 -0.041 -8.792 6.157 1.00 0.00 C ATOM 124 CE2 PHE A 8 -0.458 -8.973 3.813 1.00 0.00 C ATOM 125 CZ PHE A 8 -0.904 -9.056 5.116 1.00 0.00 C ATOM 0 H PHE A 8 5.742 -7.918 3.788 1.00 0.00 H new ATOM 0 HA PHE A 8 3.956 -9.568 5.486 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.412 -7.115 4.943 1.00 0.00 H new ATOM 0 HB3 PHE A 8 3.227 -7.625 3.277 1.00 0.00 H new ATOM 0 HD1 PHE A 8 1.941 -8.238 6.712 1.00 0.00 H new ATOM 0 HD2 PHE A 8 1.199 -8.572 2.531 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -0.389 -8.856 7.178 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.135 -9.176 2.996 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.929 -9.328 5.320 1.00 0.00 H new ATOM 135 N GLU A 9 4.089 -11.383 3.814 1.00 0.00 N ATOM 136 CA GLU A 9 3.937 -12.515 2.894 1.00 0.00 C ATOM 137 C GLU A 9 4.909 -12.459 1.710 1.00 0.00 C ATOM 138 O GLU A 9 4.642 -13.019 0.646 1.00 0.00 O ATOM 139 CB GLU A 9 2.489 -12.601 2.411 1.00 0.00 C ATOM 140 CG GLU A 9 1.488 -12.669 3.556 1.00 0.00 C ATOM 141 CD GLU A 9 1.824 -13.761 4.554 1.00 0.00 C ATOM 142 OE1 GLU A 9 2.789 -13.594 5.327 1.00 0.00 O ATOM 143 OE2 GLU A 9 1.121 -14.792 4.577 1.00 0.00 O ATOM 0 H GLU A 9 4.190 -11.663 4.790 1.00 0.00 H new ATOM 0 HA GLU A 9 4.189 -13.419 3.448 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.266 -11.733 1.790 1.00 0.00 H new ATOM 0 HB3 GLU A 9 2.373 -13.482 1.780 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.461 -11.708 4.069 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.490 -12.843 3.153 1.00 0.00 H new ATOM 150 N GLY A 10 6.056 -11.824 1.914 1.00 0.00 N ATOM 151 CA GLY A 10 7.058 -11.764 0.869 1.00 0.00 C ATOM 152 C GLY A 10 7.281 -10.360 0.347 1.00 0.00 C ATOM 153 O GLY A 10 8.262 -10.101 -0.350 1.00 0.00 O ATOM 0 H GLY A 10 6.309 -11.351 2.781 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.999 -12.158 1.252 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.755 -12.409 0.044 1.00 0.00 H new ATOM 157 N GLY A 11 6.377 -9.453 0.681 1.00 0.00 N ATOM 158 CA GLY A 11 6.511 -8.083 0.233 1.00 0.00 C ATOM 159 C GLY A 11 7.079 -7.193 1.314 1.00 0.00 C ATOM 160 O GLY A 11 6.614 -7.222 2.455 1.00 0.00 O ATOM 0 H GLY A 11 5.554 -9.640 1.253 1.00 0.00 H new ATOM 0 HA2 GLY A 11 7.158 -8.049 -0.644 1.00 0.00 H new ATOM 0 HA3 GLY A 11 5.536 -7.704 -0.075 1.00 0.00 H new ATOM 164 N THR A 12 8.087 -6.416 0.959 1.00 0.00 N ATOM 165 CA THR A 12 8.744 -5.533 1.911 1.00 0.00 C ATOM 166 C THR A 12 8.081 -4.161 1.928 1.00 0.00 C ATOM 167 O THR A 12 7.873 -3.545 0.883 1.00 0.00 O ATOM 168 CB THR A 12 10.243 -5.375 1.584 1.00 0.00 C ATOM 169 OG1 THR A 12 10.858 -6.670 1.491 1.00 0.00 O ATOM 170 CG2 THR A 12 10.952 -4.540 2.646 1.00 0.00 C ATOM 0 H THR A 12 8.471 -6.378 0.015 1.00 0.00 H new ATOM 0 HA THR A 12 8.646 -5.989 2.896 1.00 0.00 H new ATOM 0 HB THR A 12 10.333 -4.858 0.629 1.00 0.00 H new ATOM 0 HG1 THR A 12 11.810 -6.566 1.281 1.00 0.00 H new ATOM 0 HG21 THR A 12 12.007 -4.445 2.390 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.499 -3.550 2.692 1.00 0.00 H new ATOM 0 HG23 THR A 12 10.857 -5.028 3.616 1.00 0.00 H new ATOM 178 N ILE A 13 7.740 -3.700 3.120 1.00 0.00 N ATOM 179 CA ILE A 13 7.162 -2.382 3.293 1.00 0.00 C ATOM 180 C ILE A 13 8.246 -1.397 3.705 1.00 0.00 C ATOM 181 O ILE A 13 8.909 -1.570 4.734 1.00 0.00 O ATOM 182 CB ILE A 13 6.037 -2.389 4.355 1.00 0.00 C ATOM 183 CG1 ILE A 13 4.930 -3.369 3.949 1.00 0.00 C ATOM 184 CG2 ILE A 13 5.473 -0.987 4.559 1.00 0.00 C ATOM 185 CD1 ILE A 13 3.822 -3.496 4.975 1.00 0.00 C ATOM 0 H ILE A 13 7.856 -4.225 3.987 1.00 0.00 H new ATOM 0 HA ILE A 13 6.726 -2.079 2.341 1.00 0.00 H new ATOM 0 HB ILE A 13 6.460 -2.719 5.304 1.00 0.00 H new ATOM 0 HG12 ILE A 13 4.500 -3.045 3.001 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.371 -4.351 3.780 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.684 -1.018 5.310 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.267 -0.321 4.895 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.064 -0.619 3.618 1.00 0.00 H new ATOM 0 HD11 ILE A 13 3.076 -4.206 4.619 1.00 0.00 H new ATOM 0 HD12 ILE A 13 4.238 -3.850 5.918 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.354 -2.523 5.127 1.00 0.00 H new ATOM 197 N ASP A 14 8.423 -0.377 2.888 1.00 0.00 N ATOM 198 CA ASP A 14 9.442 0.628 3.110 1.00 0.00 C ATOM 199 C ASP A 14 8.798 1.928 3.563 1.00 0.00 C ATOM 200 O ASP A 14 8.087 2.578 2.796 1.00 0.00 O ATOM 201 CB ASP A 14 10.242 0.893 1.827 1.00 0.00 C ATOM 202 CG ASP A 14 10.868 -0.352 1.225 1.00 0.00 C ATOM 203 OD1 ASP A 14 11.981 -0.731 1.656 1.00 0.00 O ATOM 204 OD2 ASP A 14 10.268 -0.933 0.294 1.00 0.00 O ATOM 0 H ASP A 14 7.863 -0.222 2.050 1.00 0.00 H new ATOM 0 HA ASP A 14 10.118 0.256 3.880 1.00 0.00 H new ATOM 0 HB2 ASP A 14 9.584 1.351 1.088 1.00 0.00 H new ATOM 0 HB3 ASP A 14 11.029 1.615 2.044 1.00 0.00 H new ATOM 209 N ILE A 15 9.016 2.290 4.813 1.00 0.00 N ATOM 210 CA ILE A 15 8.598 3.591 5.309 1.00 0.00 C ATOM 211 C ILE A 15 9.837 4.401 5.669 1.00 0.00 C ATOM 212 O ILE A 15 10.608 3.997 6.534 1.00 0.00 O ATOM 213 CB ILE A 15 7.671 3.456 6.542 1.00 0.00 C ATOM 214 CG1 ILE A 15 6.401 2.680 6.165 1.00 0.00 C ATOM 215 CG2 ILE A 15 7.314 4.831 7.097 1.00 0.00 C ATOM 216 CD1 ILE A 15 5.451 2.460 7.322 1.00 0.00 C ATOM 0 H ILE A 15 9.480 1.702 5.505 1.00 0.00 H new ATOM 0 HA ILE A 15 8.031 4.099 4.529 1.00 0.00 H new ATOM 0 HB ILE A 15 8.200 2.903 7.318 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.878 3.220 5.376 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.687 1.712 5.753 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.662 4.716 7.963 1.00 0.00 H new ATOM 0 HG22 ILE A 15 8.225 5.351 7.395 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.800 5.411 6.330 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.579 1.905 6.976 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.955 1.892 8.104 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.134 3.424 7.720 1.00 0.00 H new ATOM 228 N GLU A 16 10.026 5.539 5.015 1.00 0.00 N ATOM 229 CA GLU A 16 11.252 6.314 5.182 1.00 0.00 C ATOM 230 C GLU A 16 10.953 7.691 5.717 1.00 0.00 C ATOM 231 O GLU A 16 9.993 8.333 5.298 1.00 0.00 O ATOM 232 CB GLU A 16 11.962 6.496 3.852 1.00 0.00 C ATOM 233 CG GLU A 16 13.436 6.852 3.980 1.00 0.00 C ATOM 234 CD GLU A 16 14.195 5.882 4.857 1.00 0.00 C ATOM 235 OE1 GLU A 16 14.681 4.857 4.334 1.00 0.00 O ATOM 236 OE2 GLU A 16 14.306 6.141 6.073 1.00 0.00 O ATOM 0 H GLU A 16 9.351 5.946 4.367 1.00 0.00 H new ATOM 0 HA GLU A 16 11.880 5.761 5.881 1.00 0.00 H new ATOM 0 HB2 GLU A 16 11.870 5.576 3.274 1.00 0.00 H new ATOM 0 HB3 GLU A 16 11.457 7.280 3.287 1.00 0.00 H new ATOM 0 HG2 GLU A 16 13.889 6.870 2.989 1.00 0.00 H new ATOM 0 HG3 GLU A 16 13.529 7.857 4.392 1.00 0.00 H new ATOM 243 N ASP A 17 11.799 8.154 6.616 1.00 0.00 N ATOM 244 CA ASP A 17 11.710 9.515 7.119 1.00 0.00 C ATOM 245 C ASP A 17 10.355 9.744 7.798 1.00 0.00 C ATOM 246 O ASP A 17 9.819 10.854 7.808 1.00 0.00 O ATOM 247 CB ASP A 17 11.942 10.508 5.968 1.00 0.00 C ATOM 248 CG ASP A 17 12.101 11.946 6.427 1.00 0.00 C ATOM 249 OD1 ASP A 17 12.684 12.176 7.510 1.00 0.00 O ATOM 250 OD2 ASP A 17 11.651 12.853 5.693 1.00 0.00 O ATOM 0 H ASP A 17 12.561 7.606 7.016 1.00 0.00 H new ATOM 0 HA ASP A 17 12.484 9.677 7.869 1.00 0.00 H new ATOM 0 HB2 ASP A 17 12.835 10.211 5.417 1.00 0.00 H new ATOM 0 HB3 ASP A 17 11.104 10.448 5.273 1.00 0.00 H new ATOM 255 N ASP A 18 9.815 8.660 8.368 1.00 0.00 N ATOM 256 CA ASP A 18 8.498 8.655 9.018 1.00 0.00 C ATOM 257 C ASP A 18 7.394 9.017 8.022 1.00 0.00 C ATOM 258 O ASP A 18 6.291 9.402 8.402 1.00 0.00 O ATOM 259 CB ASP A 18 8.474 9.607 10.218 1.00 0.00 C ATOM 260 CG ASP A 18 7.675 9.042 11.379 1.00 0.00 C ATOM 261 OD1 ASP A 18 6.428 9.133 11.362 1.00 0.00 O ATOM 262 OD2 ASP A 18 8.296 8.499 12.318 1.00 0.00 O ATOM 0 H ASP A 18 10.283 7.754 8.391 1.00 0.00 H new ATOM 0 HA ASP A 18 8.311 7.645 9.382 1.00 0.00 H new ATOM 0 HB2 ASP A 18 9.495 9.805 10.544 1.00 0.00 H new ATOM 0 HB3 ASP A 18 8.045 10.562 9.914 1.00 0.00 H new ATOM 267 N THR A 19 7.703 8.872 6.744 1.00 0.00 N ATOM 268 CA THR A 19 6.755 9.140 5.675 1.00 0.00 C ATOM 269 C THR A 19 7.026 8.169 4.525 1.00 0.00 C ATOM 270 O THR A 19 7.689 7.158 4.732 1.00 0.00 O ATOM 271 CB THR A 19 6.873 10.594 5.166 1.00 0.00 C ATOM 272 OG1 THR A 19 7.491 11.424 6.161 1.00 0.00 O ATOM 273 CG2 THR A 19 5.498 11.165 4.831 1.00 0.00 C ATOM 0 H THR A 19 8.619 8.565 6.418 1.00 0.00 H new ATOM 0 HA THR A 19 5.745 9.004 6.061 1.00 0.00 H new ATOM 0 HB THR A 19 7.487 10.581 4.265 1.00 0.00 H new ATOM 0 HG1 THR A 19 7.561 12.342 5.824 1.00 0.00 H new ATOM 0 HG21 THR A 19 5.606 12.189 4.475 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.031 10.558 4.055 1.00 0.00 H new ATOM 0 HG23 THR A 19 4.873 11.156 5.724 1.00 0.00 H new ATOM 281 N SER A 20 6.497 8.461 3.337 1.00 0.00 N ATOM 282 CA SER A 20 6.813 7.693 2.130 1.00 0.00 C ATOM 283 C SER A 20 6.309 6.253 2.222 1.00 0.00 C ATOM 284 O SER A 20 6.903 5.416 2.898 1.00 0.00 O ATOM 285 CB SER A 20 8.328 7.694 1.875 1.00 0.00 C ATOM 286 OG SER A 20 8.647 7.062 0.646 1.00 0.00 O ATOM 0 H SER A 20 5.843 9.229 3.183 1.00 0.00 H new ATOM 0 HA SER A 20 6.302 8.177 1.298 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.696 8.720 1.864 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.836 7.182 2.692 1.00 0.00 H new ATOM 0 HG SER A 20 9.618 7.080 0.511 1.00 0.00 H new ATOM 292 N LEU A 21 5.218 5.958 1.537 1.00 0.00 N ATOM 293 CA LEU A 21 4.745 4.590 1.472 1.00 0.00 C ATOM 294 C LEU A 21 5.373 3.919 0.264 1.00 0.00 C ATOM 295 O LEU A 21 5.128 4.317 -0.876 1.00 0.00 O ATOM 296 CB LEU A 21 3.219 4.541 1.366 1.00 0.00 C ATOM 297 CG LEU A 21 2.536 3.332 2.024 1.00 0.00 C ATOM 298 CD1 LEU A 21 3.059 2.022 1.462 1.00 0.00 C ATOM 299 CD2 LEU A 21 2.721 3.375 3.532 1.00 0.00 C ATOM 0 H LEU A 21 4.652 6.636 1.026 1.00 0.00 H new ATOM 0 HA LEU A 21 5.031 4.067 2.385 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.814 5.449 1.813 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.947 4.557 0.311 1.00 0.00 H new ATOM 0 HG LEU A 21 1.471 3.388 1.797 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.554 1.189 1.951 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.868 1.984 0.390 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.132 1.951 1.642 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.232 2.512 3.983 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.785 3.354 3.769 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.280 4.290 3.927 1.00 0.00 H new ATOM 311 N THR A 22 6.185 2.920 0.516 1.00 0.00 N ATOM 312 CA THR A 22 6.822 2.177 -0.547 1.00 0.00 C ATOM 313 C THR A 22 6.739 0.686 -0.264 1.00 0.00 C ATOM 314 O THR A 22 6.847 0.263 0.882 1.00 0.00 O ATOM 315 CB THR A 22 8.296 2.605 -0.717 1.00 0.00 C ATOM 316 OG1 THR A 22 8.683 3.476 0.356 1.00 0.00 O ATOM 317 CG2 THR A 22 8.511 3.320 -2.040 1.00 0.00 C ATOM 0 H THR A 22 6.422 2.601 1.455 1.00 0.00 H new ATOM 0 HA THR A 22 6.296 2.394 -1.477 1.00 0.00 H new ATOM 0 HB THR A 22 8.908 1.703 -0.702 1.00 0.00 H new ATOM 0 HG1 THR A 22 8.456 3.059 1.214 1.00 0.00 H new ATOM 0 HG21 THR A 22 9.558 3.609 -2.131 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.246 2.654 -2.861 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.884 4.211 -2.078 1.00 0.00 H new ATOM 325 N ILE A 23 6.494 -0.101 -1.293 1.00 0.00 N ATOM 326 CA ILE A 23 6.473 -1.547 -1.149 1.00 0.00 C ATOM 327 C ILE A 23 7.382 -2.173 -2.193 1.00 0.00 C ATOM 328 O ILE A 23 7.163 -1.996 -3.393 1.00 0.00 O ATOM 329 CB ILE A 23 5.046 -2.128 -1.285 1.00 0.00 C ATOM 330 CG1 ILE A 23 4.117 -1.531 -0.220 1.00 0.00 C ATOM 331 CG2 ILE A 23 5.078 -3.650 -1.172 1.00 0.00 C ATOM 332 CD1 ILE A 23 2.680 -2.000 -0.334 1.00 0.00 C ATOM 0 H ILE A 23 6.307 0.234 -2.238 1.00 0.00 H new ATOM 0 HA ILE A 23 6.828 -1.785 -0.146 1.00 0.00 H new ATOM 0 HB ILE A 23 4.658 -1.861 -2.268 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.497 -1.790 0.768 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.142 -0.444 -0.296 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.066 -4.043 -1.270 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.705 -4.061 -1.963 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.486 -3.934 -0.202 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.083 -1.537 0.451 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.281 -1.717 -1.308 1.00 0.00 H new ATOM 0 HD13 ILE A 23 2.642 -3.084 -0.227 1.00 0.00 H new ATOM 344 N ASN A 24 8.423 -2.862 -1.728 1.00 0.00 N ATOM 345 CA ASN A 24 9.414 -3.478 -2.613 1.00 0.00 C ATOM 346 C ASN A 24 10.211 -2.387 -3.341 1.00 0.00 C ATOM 347 O ASN A 24 10.936 -2.642 -4.301 1.00 0.00 O ATOM 348 CB ASN A 24 8.715 -4.438 -3.600 1.00 0.00 C ATOM 349 CG ASN A 24 9.670 -5.175 -4.522 1.00 0.00 C ATOM 350 OD1 ASN A 24 9.906 -4.756 -5.656 1.00 0.00 O ATOM 351 ND2 ASN A 24 10.229 -6.273 -4.042 1.00 0.00 N ATOM 0 H ASN A 24 8.604 -3.009 -0.735 1.00 0.00 H new ATOM 0 HA ASN A 24 10.118 -4.067 -2.025 1.00 0.00 H new ATOM 0 HB2 ASN A 24 8.137 -5.168 -3.034 1.00 0.00 H new ATOM 0 HB3 ASN A 24 8.008 -3.870 -4.204 1.00 0.00 H new ATOM 0 HD21 ASN A 24 10.882 -6.806 -4.617 1.00 0.00 H new ATOM 0 HD22 ASN A 24 10.007 -6.587 -3.097 1.00 0.00 H new ATOM 358 N GLY A 25 10.108 -1.166 -2.831 1.00 0.00 N ATOM 359 CA GLY A 25 10.757 -0.036 -3.462 1.00 0.00 C ATOM 360 C GLY A 25 9.811 0.748 -4.353 1.00 0.00 C ATOM 361 O GLY A 25 10.136 1.852 -4.795 1.00 0.00 O ATOM 0 H GLY A 25 9.583 -0.939 -1.987 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.160 0.624 -2.694 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.601 -0.389 -4.054 1.00 0.00 H new ATOM 365 N LYS A 26 8.633 0.185 -4.604 1.00 0.00 N ATOM 366 CA LYS A 26 7.650 0.822 -5.469 1.00 0.00 C ATOM 367 C LYS A 26 6.812 1.824 -4.687 1.00 0.00 C ATOM 368 O LYS A 26 6.276 1.504 -3.625 1.00 0.00 O ATOM 369 CB LYS A 26 6.750 -0.224 -6.129 1.00 0.00 C ATOM 370 CG LYS A 26 7.477 -1.082 -7.153 1.00 0.00 C ATOM 371 CD LYS A 26 6.547 -2.076 -7.829 1.00 0.00 C ATOM 372 CE LYS A 26 5.380 -1.384 -8.520 1.00 0.00 C ATOM 373 NZ LYS A 26 5.825 -0.372 -9.517 1.00 0.00 N ATOM 0 H LYS A 26 8.337 -0.712 -4.219 1.00 0.00 H new ATOM 0 HA LYS A 26 8.187 1.358 -6.252 1.00 0.00 H new ATOM 0 HB2 LYS A 26 6.328 -0.869 -5.358 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.914 0.280 -6.615 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.930 -0.439 -7.908 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.289 -1.620 -6.664 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.108 -2.658 -8.560 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.165 -2.778 -7.088 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.762 -2.131 -9.017 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.754 -0.900 -7.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.005 -0.041 -10.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.260 0.434 -9.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.521 -0.801 -10.160 1.00 0.00 H new ATOM 387 N GLU A 27 6.716 3.033 -5.218 1.00 0.00 N ATOM 388 CA GLU A 27 5.991 4.114 -4.563 1.00 0.00 C ATOM 389 C GLU A 27 4.498 3.819 -4.498 1.00 0.00 C ATOM 390 O GLU A 27 3.861 3.565 -5.522 1.00 0.00 O ATOM 391 CB GLU A 27 6.222 5.420 -5.319 1.00 0.00 C ATOM 392 CG GLU A 27 7.685 5.792 -5.458 1.00 0.00 C ATOM 393 CD GLU A 27 7.892 6.925 -6.435 1.00 0.00 C ATOM 394 OE1 GLU A 27 7.832 6.676 -7.654 1.00 0.00 O ATOM 395 OE2 GLU A 27 8.132 8.070 -5.991 1.00 0.00 O ATOM 0 H GLU A 27 7.136 3.293 -6.111 1.00 0.00 H new ATOM 0 HA GLU A 27 6.365 4.204 -3.543 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.781 5.338 -6.312 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.699 6.225 -4.804 1.00 0.00 H new ATOM 0 HG2 GLU A 27 8.080 6.078 -4.483 1.00 0.00 H new ATOM 0 HG3 GLU A 27 8.250 4.921 -5.789 1.00 0.00 H new ATOM 402 N ILE A 28 3.942 3.857 -3.299 1.00 0.00 N ATOM 403 CA ILE A 28 2.517 3.652 -3.119 1.00 0.00 C ATOM 404 C ILE A 28 1.827 4.985 -2.860 1.00 0.00 C ATOM 405 O ILE A 28 1.901 5.539 -1.760 1.00 0.00 O ATOM 406 CB ILE A 28 2.212 2.677 -1.960 1.00 0.00 C ATOM 407 CG1 ILE A 28 2.909 1.330 -2.193 1.00 0.00 C ATOM 408 CG2 ILE A 28 0.707 2.481 -1.815 1.00 0.00 C ATOM 409 CD1 ILE A 28 2.461 0.618 -3.451 1.00 0.00 C ATOM 0 H ILE A 28 4.457 4.028 -2.436 1.00 0.00 H new ATOM 0 HA ILE A 28 2.134 3.207 -4.038 1.00 0.00 H new ATOM 0 HB ILE A 28 2.596 3.107 -1.035 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.986 1.493 -2.243 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.724 0.683 -1.335 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.507 1.792 -0.995 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.234 3.440 -1.606 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.303 2.071 -2.740 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.998 -0.326 -3.546 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.390 0.422 -3.396 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.671 1.244 -4.318 1.00 0.00 H new ATOM 421 N SER A 29 1.188 5.515 -3.890 1.00 0.00 N ATOM 422 CA SER A 29 0.461 6.764 -3.770 1.00 0.00 C ATOM 423 C SER A 29 -0.939 6.521 -3.211 1.00 0.00 C ATOM 424 O SER A 29 -1.798 5.945 -3.886 1.00 0.00 O ATOM 425 CB SER A 29 0.376 7.448 -5.126 1.00 0.00 C ATOM 426 OG SER A 29 1.660 7.568 -5.716 1.00 0.00 O ATOM 0 H SER A 29 1.159 5.097 -4.820 1.00 0.00 H new ATOM 0 HA SER A 29 0.997 7.413 -3.078 1.00 0.00 H new ATOM 0 HB2 SER A 29 -0.279 6.878 -5.785 1.00 0.00 H new ATOM 0 HB3 SER A 29 -0.069 8.436 -5.012 1.00 0.00 H new ATOM 0 HG SER A 29 1.580 8.009 -6.587 1.00 0.00 H new ATOM 432 N TYR A 30 -1.153 6.929 -1.966 1.00 0.00 N ATOM 433 CA TYR A 30 -2.467 6.822 -1.349 1.00 0.00 C ATOM 434 C TYR A 30 -3.382 7.913 -1.859 1.00 0.00 C ATOM 435 O TYR A 30 -2.937 9.011 -2.201 1.00 0.00 O ATOM 436 CB TYR A 30 -2.421 6.929 0.185 1.00 0.00 C ATOM 437 CG TYR A 30 -1.056 7.174 0.796 1.00 0.00 C ATOM 438 CD1 TYR A 30 -0.355 8.351 0.554 1.00 0.00 C ATOM 439 CD2 TYR A 30 -0.483 6.235 1.642 1.00 0.00 C ATOM 440 CE1 TYR A 30 0.878 8.580 1.135 1.00 0.00 C ATOM 441 CE2 TYR A 30 0.747 6.456 2.223 1.00 0.00 C ATOM 442 CZ TYR A 30 1.424 7.627 1.967 1.00 0.00 C ATOM 443 OH TYR A 30 2.653 7.846 2.549 1.00 0.00 O ATOM 0 H TYR A 30 -0.435 7.336 -1.366 1.00 0.00 H new ATOM 0 HA TYR A 30 -2.841 5.834 -1.619 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -3.085 7.737 0.492 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.825 6.008 0.605 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -0.781 9.098 -0.099 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.010 5.315 1.849 1.00 0.00 H new ATOM 0 HE1 TYR A 30 1.410 9.499 0.938 1.00 0.00 H new ATOM 0 HE2 TYR A 30 1.178 5.713 2.877 1.00 0.00 H new ATOM 0 HH TYR A 30 2.787 7.207 3.280 1.00 0.00 H new ATOM 618 N SER A 41 -7.450 4.882 -3.435 1.00 0.00 N ATOM 619 CA SER A 41 -6.044 4.702 -3.712 1.00 0.00 C ATOM 620 C SER A 41 -5.842 4.199 -5.136 1.00 0.00 C ATOM 621 O SER A 41 -6.581 3.340 -5.610 1.00 0.00 O ATOM 622 CB SER A 41 -5.464 3.721 -2.706 1.00 0.00 C ATOM 623 OG SER A 41 -5.674 4.181 -1.383 1.00 0.00 O ATOM 0 HA SER A 41 -5.528 5.658 -3.621 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.928 2.743 -2.835 1.00 0.00 H new ATOM 0 HB3 SER A 41 -4.397 3.594 -2.888 1.00 0.00 H new ATOM 0 HG SER A 41 -6.525 3.830 -1.046 1.00 0.00 H new ATOM 629 N ARG A 42 -4.834 4.735 -5.804 1.00 0.00 N ATOM 630 CA ARG A 42 -4.616 4.468 -7.222 1.00 0.00 C ATOM 631 C ARG A 42 -4.337 2.987 -7.489 1.00 0.00 C ATOM 632 O ARG A 42 -4.634 2.478 -8.570 1.00 0.00 O ATOM 633 CB ARG A 42 -3.460 5.328 -7.735 1.00 0.00 C ATOM 634 CG ARG A 42 -3.282 5.274 -9.239 1.00 0.00 C ATOM 635 CD ARG A 42 -2.335 6.358 -9.723 1.00 0.00 C ATOM 636 NE ARG A 42 -2.171 6.329 -11.171 1.00 0.00 N ATOM 637 CZ ARG A 42 -2.449 7.354 -11.975 1.00 0.00 C ATOM 638 NH1 ARG A 42 -2.984 8.470 -11.488 1.00 0.00 N ATOM 639 NH2 ARG A 42 -2.211 7.255 -13.274 1.00 0.00 N ATOM 0 H ARG A 42 -4.147 5.363 -5.386 1.00 0.00 H new ATOM 0 HA ARG A 42 -5.530 4.726 -7.757 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -3.627 6.362 -7.435 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -2.536 5.002 -7.257 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -2.896 4.296 -9.527 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.250 5.390 -9.726 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -2.715 7.334 -9.420 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -1.364 6.232 -9.245 1.00 0.00 H new ATOM 0 HE ARG A 42 -1.821 5.470 -11.595 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -3.185 8.546 -10.491 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -3.193 9.250 -12.112 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -1.816 6.396 -13.656 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -2.423 8.038 -13.892 1.00 0.00 H new ATOM 653 N TYR A 43 -3.771 2.299 -6.503 1.00 0.00 N ATOM 654 CA TYR A 43 -3.460 0.877 -6.640 1.00 0.00 C ATOM 655 C TYR A 43 -4.660 0.002 -6.273 1.00 0.00 C ATOM 656 O TYR A 43 -4.753 -1.145 -6.707 1.00 0.00 O ATOM 657 CB TYR A 43 -2.249 0.503 -5.779 1.00 0.00 C ATOM 658 CG TYR A 43 -0.946 1.089 -6.280 1.00 0.00 C ATOM 659 CD1 TYR A 43 -0.161 0.396 -7.195 1.00 0.00 C ATOM 660 CD2 TYR A 43 -0.505 2.335 -5.853 1.00 0.00 C ATOM 661 CE1 TYR A 43 1.024 0.927 -7.667 1.00 0.00 C ATOM 662 CE2 TYR A 43 0.680 2.872 -6.319 1.00 0.00 C ATOM 663 CZ TYR A 43 1.439 2.165 -7.227 1.00 0.00 C ATOM 664 OH TYR A 43 2.618 2.699 -7.695 1.00 0.00 O ATOM 0 H TYR A 43 -3.518 2.701 -5.600 1.00 0.00 H new ATOM 0 HA TYR A 43 -3.218 0.694 -7.687 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -2.421 0.842 -4.757 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -2.160 -0.583 -5.744 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -0.483 -0.574 -7.543 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -1.098 2.894 -5.145 1.00 0.00 H new ATOM 0 HE1 TYR A 43 1.622 0.375 -8.377 1.00 0.00 H new ATOM 0 HE2 TYR A 43 1.010 3.841 -5.974 1.00 0.00 H new ATOM 0 HH TYR A 43 3.134 3.060 -6.944 1.00 0.00 H new ATOM 674 N LEU A 44 -5.574 0.549 -5.482 1.00 0.00 N ATOM 675 CA LEU A 44 -6.776 -0.176 -5.081 1.00 0.00 C ATOM 676 C LEU A 44 -8.012 0.689 -5.309 1.00 0.00 C ATOM 677 O LEU A 44 -8.480 1.384 -4.402 1.00 0.00 O ATOM 678 CB LEU A 44 -6.699 -0.615 -3.614 1.00 0.00 C ATOM 679 CG LEU A 44 -5.695 -1.728 -3.306 1.00 0.00 C ATOM 680 CD1 LEU A 44 -5.745 -2.085 -1.830 1.00 0.00 C ATOM 681 CD2 LEU A 44 -5.976 -2.957 -4.158 1.00 0.00 C ATOM 0 H LEU A 44 -5.507 1.494 -5.104 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.849 -1.073 -5.696 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.447 0.254 -3.007 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.689 -0.947 -3.301 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.695 -1.367 -3.547 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.026 -2.878 -1.623 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.497 -1.206 -1.235 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.747 -2.427 -1.572 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.251 -3.736 -3.923 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.981 -3.322 -3.949 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.897 -2.694 -5.213 1.00 0.00 H new ATOM 693 N PRO A 45 -8.539 0.674 -6.538 1.00 0.00 N ATOM 694 CA PRO A 45 -9.651 1.526 -6.940 1.00 0.00 C ATOM 695 C PRO A 45 -11.012 0.971 -6.526 1.00 0.00 C ATOM 696 O PRO A 45 -11.329 -0.191 -6.787 1.00 0.00 O ATOM 697 CB PRO A 45 -9.538 1.569 -8.473 1.00 0.00 C ATOM 698 CG PRO A 45 -8.364 0.709 -8.835 1.00 0.00 C ATOM 699 CD PRO A 45 -8.093 -0.167 -7.648 1.00 0.00 C ATOM 0 HA PRO A 45 -9.593 2.504 -6.462 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -10.450 1.198 -8.940 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -9.394 2.591 -8.823 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -8.581 0.108 -9.718 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -7.494 1.321 -9.072 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -8.648 -1.104 -7.698 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -7.037 -0.426 -7.565 1.00 0.00 H new ATOM 707 N TYR A 46 -11.803 1.821 -5.867 1.00 0.00 N ATOM 708 CA TYR A 46 -13.190 1.514 -5.504 1.00 0.00 C ATOM 709 C TYR A 46 -13.282 0.402 -4.457 1.00 0.00 C ATOM 710 O TYR A 46 -14.360 -0.140 -4.211 1.00 0.00 O ATOM 711 CB TYR A 46 -14.005 1.138 -6.747 1.00 0.00 C ATOM 712 CG TYR A 46 -14.033 2.219 -7.807 1.00 0.00 C ATOM 713 CD1 TYR A 46 -14.873 3.318 -7.683 1.00 0.00 C ATOM 714 CD2 TYR A 46 -13.212 2.143 -8.929 1.00 0.00 C ATOM 715 CE1 TYR A 46 -14.895 4.309 -8.645 1.00 0.00 C ATOM 716 CE2 TYR A 46 -13.231 3.131 -9.893 1.00 0.00 C ATOM 717 CZ TYR A 46 -14.073 4.211 -9.746 1.00 0.00 C ATOM 718 OH TYR A 46 -14.096 5.194 -10.706 1.00 0.00 O ATOM 0 H TYR A 46 -11.498 2.747 -5.568 1.00 0.00 H new ATOM 0 HA TYR A 46 -13.610 2.417 -5.061 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -13.591 0.227 -7.180 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -15.027 0.911 -6.445 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -15.519 3.399 -6.821 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -12.550 1.298 -9.047 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -15.554 5.157 -8.534 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -12.589 3.057 -10.758 1.00 0.00 H new ATOM 0 HH TYR A 46 -13.456 4.974 -11.415 1.00 0.00 H new ATOM 728 N THR A 47 -12.159 0.067 -3.843 1.00 0.00 N ATOM 729 CA THR A 47 -12.145 -0.901 -2.764 1.00 0.00 C ATOM 730 C THR A 47 -12.123 -0.178 -1.422 1.00 0.00 C ATOM 731 O THR A 47 -11.515 0.886 -1.295 1.00 0.00 O ATOM 732 CB THR A 47 -10.934 -1.847 -2.879 1.00 0.00 C ATOM 733 OG1 THR A 47 -9.741 -1.090 -3.093 1.00 0.00 O ATOM 734 CG2 THR A 47 -11.123 -2.831 -4.023 1.00 0.00 C ATOM 0 H THR A 47 -11.244 0.453 -4.076 1.00 0.00 H new ATOM 0 HA THR A 47 -13.050 -1.505 -2.834 1.00 0.00 H new ATOM 0 HB THR A 47 -10.849 -2.406 -1.947 1.00 0.00 H new ATOM 0 HG1 THR A 47 -9.806 -0.236 -2.617 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.256 -3.488 -4.085 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.018 -3.427 -3.846 1.00 0.00 H new ATOM 0 HG23 THR A 47 -11.231 -2.284 -4.960 1.00 0.00 H new ATOM 742 N GLN A 48 -12.799 -0.736 -0.433 1.00 0.00 N ATOM 743 CA GLN A 48 -12.928 -0.078 0.856 1.00 0.00 C ATOM 744 C GLN A 48 -11.991 -0.693 1.889 1.00 0.00 C ATOM 745 O GLN A 48 -12.023 -1.901 2.140 1.00 0.00 O ATOM 746 CB GLN A 48 -14.377 -0.140 1.336 1.00 0.00 C ATOM 747 CG GLN A 48 -15.352 0.536 0.381 1.00 0.00 C ATOM 748 CD GLN A 48 -16.783 0.511 0.877 1.00 0.00 C ATOM 749 OE1 GLN A 48 -16.957 0.552 2.187 1.00 0.00 O flip ATOM 750 NE2 GLN A 48 -17.724 0.463 0.089 1.00 0.00 N flip ATOM 0 H GLN A 48 -13.266 -1.641 -0.497 1.00 0.00 H new ATOM 0 HA GLN A 48 -12.643 0.967 0.734 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -14.667 -1.183 1.464 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -14.450 0.333 2.315 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -15.044 1.571 0.229 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -15.301 0.043 -0.590 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -17.547 0.433 -0.915 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -18.682 0.454 0.439 1.00 0.00 H new ATOM 759 N TYR A 49 -11.156 0.150 2.475 1.00 0.00 N ATOM 760 CA TYR A 49 -10.212 -0.266 3.503 1.00 0.00 C ATOM 761 C TYR A 49 -10.443 0.543 4.770 1.00 0.00 C ATOM 762 O TYR A 49 -11.165 1.545 4.750 1.00 0.00 O ATOM 763 CB TYR A 49 -8.768 -0.094 3.015 1.00 0.00 C ATOM 764 CG TYR A 49 -8.647 0.666 1.713 1.00 0.00 C ATOM 765 CD1 TYR A 49 -8.679 2.055 1.684 1.00 0.00 C ATOM 766 CD2 TYR A 49 -8.505 -0.012 0.510 1.00 0.00 C ATOM 767 CE1 TYR A 49 -8.573 2.744 0.492 1.00 0.00 C ATOM 768 CE2 TYR A 49 -8.398 0.670 -0.684 1.00 0.00 C ATOM 769 CZ TYR A 49 -8.435 2.046 -0.688 1.00 0.00 C ATOM 770 OH TYR A 49 -8.327 2.725 -1.879 1.00 0.00 O ATOM 0 H TYR A 49 -11.113 1.144 2.252 1.00 0.00 H new ATOM 0 HA TYR A 49 -10.373 -1.322 3.720 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -8.195 0.426 3.783 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -8.317 -1.079 2.893 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -8.788 2.604 2.608 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -8.478 -1.092 0.509 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -8.598 3.824 0.485 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -8.286 0.127 -1.611 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.412 2.094 -2.624 1.00 0.00 H new ATOM 780 N ASP A 50 -9.830 0.123 5.865 1.00 0.00 N ATOM 781 CA ASP A 50 -10.096 0.744 7.158 1.00 0.00 C ATOM 782 C ASP A 50 -9.081 1.837 7.481 1.00 0.00 C ATOM 783 O ASP A 50 -9.439 3.005 7.658 1.00 0.00 O ATOM 784 CB ASP A 50 -10.094 -0.309 8.268 1.00 0.00 C ATOM 785 CG ASP A 50 -10.462 0.278 9.614 1.00 0.00 C ATOM 786 OD1 ASP A 50 -9.560 0.765 10.325 1.00 0.00 O ATOM 787 OD2 ASP A 50 -11.660 0.258 9.969 1.00 0.00 O ATOM 0 H ASP A 50 -9.151 -0.638 5.888 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.082 1.206 7.099 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.797 -1.102 8.015 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.107 -0.766 8.331 1.00 0.00 H new ATOM 792 N SER A 51 -7.815 1.460 7.551 1.00 0.00 N ATOM 793 CA SER A 51 -6.771 2.384 7.967 1.00 0.00 C ATOM 794 C SER A 51 -5.594 2.368 6.993 1.00 0.00 C ATOM 795 O SER A 51 -5.603 1.623 6.013 1.00 0.00 O ATOM 796 CB SER A 51 -6.314 2.039 9.386 1.00 0.00 C ATOM 797 OG SER A 51 -7.369 2.222 10.318 1.00 0.00 O ATOM 0 H SER A 51 -7.485 0.522 7.326 1.00 0.00 H new ATOM 0 HA SER A 51 -7.179 3.395 7.962 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.969 1.006 9.420 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.467 2.667 9.662 1.00 0.00 H new ATOM 0 HG SER A 51 -7.953 1.435 10.309 1.00 0.00 H new ATOM 803 N LEU A 52 -4.586 3.188 7.273 1.00 0.00 N ATOM 804 CA LEU A 52 -3.445 3.348 6.378 1.00 0.00 C ATOM 805 C LEU A 52 -2.556 2.108 6.435 1.00 0.00 C ATOM 806 O LEU A 52 -2.152 1.572 5.402 1.00 0.00 O ATOM 807 CB LEU A 52 -2.655 4.607 6.773 1.00 0.00 C ATOM 808 CG LEU A 52 -1.791 5.246 5.672 1.00 0.00 C ATOM 809 CD1 LEU A 52 -0.594 4.373 5.322 1.00 0.00 C ATOM 810 CD2 LEU A 52 -2.633 5.526 4.433 1.00 0.00 C ATOM 0 H LEU A 52 -4.536 3.756 8.119 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.799 3.464 5.354 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -3.362 5.356 7.130 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -2.007 4.354 7.612 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.406 6.191 6.056 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.007 4.856 4.541 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.026 4.233 6.208 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.942 3.403 4.966 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.008 5.978 3.663 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.051 4.592 4.059 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.443 6.209 4.690 1.00 0.00 H new ATOM 822 N LEU A 53 -2.270 1.649 7.645 1.00 0.00 N ATOM 823 CA LEU A 53 -1.464 0.451 7.836 1.00 0.00 C ATOM 824 C LEU A 53 -2.201 -0.758 7.251 1.00 0.00 C ATOM 825 O LEU A 53 -1.604 -1.612 6.588 1.00 0.00 O ATOM 826 CB LEU A 53 -1.170 0.274 9.337 1.00 0.00 C ATOM 827 CG LEU A 53 -0.141 -0.799 9.721 1.00 0.00 C ATOM 828 CD1 LEU A 53 -0.756 -2.190 9.695 1.00 0.00 C ATOM 829 CD2 LEU A 53 1.076 -0.736 8.804 1.00 0.00 C ATOM 0 H LEU A 53 -2.584 2.088 8.510 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.511 0.543 7.314 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.826 1.230 9.730 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.108 0.041 9.841 1.00 0.00 H new ATOM 0 HG LEU A 53 0.184 -0.594 10.741 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.002 -2.927 9.971 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.584 -2.235 10.403 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.124 -2.406 8.692 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.791 -1.505 9.095 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.764 -0.902 7.773 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.544 0.245 8.888 1.00 0.00 H new ATOM 841 N ASP A 54 -3.506 -0.804 7.494 1.00 0.00 N ATOM 842 CA ASP A 54 -4.381 -1.824 6.915 1.00 0.00 C ATOM 843 C ASP A 54 -4.320 -1.787 5.388 1.00 0.00 C ATOM 844 O ASP A 54 -4.217 -2.826 4.735 1.00 0.00 O ATOM 845 CB ASP A 54 -5.822 -1.590 7.400 1.00 0.00 C ATOM 846 CG ASP A 54 -6.848 -2.467 6.706 1.00 0.00 C ATOM 847 OD1 ASP A 54 -6.835 -3.698 6.928 1.00 0.00 O ATOM 848 OD2 ASP A 54 -7.699 -1.921 5.967 1.00 0.00 O ATOM 0 H ASP A 54 -3.989 -0.138 8.096 1.00 0.00 H new ATOM 0 HA ASP A 54 -4.044 -2.809 7.240 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.869 -1.771 8.474 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.084 -0.544 7.242 1.00 0.00 H new ATOM 853 N LEU A 55 -4.356 -0.577 4.835 1.00 0.00 N ATOM 854 CA LEU A 55 -4.286 -0.372 3.388 1.00 0.00 C ATOM 855 C LEU A 55 -3.031 -1.000 2.792 1.00 0.00 C ATOM 856 O LEU A 55 -3.108 -1.765 1.830 1.00 0.00 O ATOM 857 CB LEU A 55 -4.307 1.128 3.074 1.00 0.00 C ATOM 858 CG LEU A 55 -4.041 1.508 1.612 1.00 0.00 C ATOM 859 CD1 LEU A 55 -5.080 0.893 0.689 1.00 0.00 C ATOM 860 CD2 LEU A 55 -4.019 3.020 1.456 1.00 0.00 C ATOM 0 H LEU A 55 -4.434 0.286 5.373 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.153 -0.858 2.940 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.280 1.527 3.362 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.563 1.621 3.699 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.065 1.112 1.330 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.867 1.179 -0.341 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.048 -0.193 0.778 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.071 1.251 0.967 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.829 3.275 0.413 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.981 3.431 1.761 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.231 3.439 2.081 1.00 0.00 H new ATOM 872 N ALA A 56 -1.884 -0.680 3.376 1.00 0.00 N ATOM 873 CA ALA A 56 -0.600 -1.161 2.878 1.00 0.00 C ATOM 874 C ALA A 56 -0.568 -2.683 2.809 1.00 0.00 C ATOM 875 O ALA A 56 -0.147 -3.262 1.806 1.00 0.00 O ATOM 876 CB ALA A 56 0.534 -0.643 3.753 1.00 0.00 C ATOM 0 H ALA A 56 -1.816 -0.085 4.202 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.467 -0.779 1.866 1.00 0.00 H new ATOM 0 HB1 ALA A 56 1.486 -1.010 3.370 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.534 0.447 3.741 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.395 -0.995 4.775 1.00 0.00 H new ATOM 882 N ARG A 57 -1.029 -3.326 3.869 1.00 0.00 N ATOM 883 CA ARG A 57 -1.043 -4.780 3.929 1.00 0.00 C ATOM 884 C ARG A 57 -2.102 -5.359 2.996 1.00 0.00 C ATOM 885 O ARG A 57 -1.909 -6.426 2.408 1.00 0.00 O ATOM 886 CB ARG A 57 -1.284 -5.245 5.365 1.00 0.00 C ATOM 887 CG ARG A 57 -0.132 -4.914 6.301 1.00 0.00 C ATOM 888 CD ARG A 57 -0.455 -5.272 7.739 1.00 0.00 C ATOM 889 NE ARG A 57 0.714 -5.139 8.606 1.00 0.00 N ATOM 890 CZ ARG A 57 0.708 -5.391 9.910 1.00 0.00 C ATOM 891 NH1 ARG A 57 -0.406 -5.792 10.511 1.00 0.00 N ATOM 892 NH2 ARG A 57 1.824 -5.245 10.613 1.00 0.00 N ATOM 0 H ARG A 57 -1.399 -2.865 4.700 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.070 -5.144 3.598 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -2.195 -4.781 5.742 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -1.449 -6.322 5.369 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.761 -5.453 5.984 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.097 -3.850 6.234 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -1.254 -4.626 8.104 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -0.827 -6.296 7.784 1.00 0.00 H new ATOM 0 HE ARG A 57 1.590 -4.833 8.183 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -1.263 -5.908 9.971 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -0.404 -5.984 11.513 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.681 -4.940 10.152 1.00 0.00 H new ATOM 0 HH22 ARG A 57 1.825 -5.437 11.615 1.00 0.00 H new ATOM 906 N ALA A 58 -3.216 -4.648 2.858 1.00 0.00 N ATOM 907 CA ALA A 58 -4.294 -5.073 1.976 1.00 0.00 C ATOM 908 C ALA A 58 -3.818 -5.130 0.531 1.00 0.00 C ATOM 909 O ALA A 58 -4.222 -6.009 -0.226 1.00 0.00 O ATOM 910 CB ALA A 58 -5.494 -4.140 2.103 1.00 0.00 C ATOM 0 H ALA A 58 -3.395 -3.772 3.348 1.00 0.00 H new ATOM 0 HA ALA A 58 -4.602 -6.074 2.277 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.288 -4.475 1.436 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.856 -4.150 3.131 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.197 -3.127 1.833 1.00 0.00 H new ATOM 916 N ILE A 59 -2.950 -4.195 0.158 1.00 0.00 N ATOM 917 CA ILE A 59 -2.410 -4.154 -1.195 1.00 0.00 C ATOM 918 C ILE A 59 -1.596 -5.411 -1.489 1.00 0.00 C ATOM 919 O ILE A 59 -1.829 -6.087 -2.488 1.00 0.00 O ATOM 920 CB ILE A 59 -1.516 -2.914 -1.410 1.00 0.00 C ATOM 921 CG1 ILE A 59 -2.313 -1.635 -1.148 1.00 0.00 C ATOM 922 CG2 ILE A 59 -0.948 -2.900 -2.823 1.00 0.00 C ATOM 923 CD1 ILE A 59 -1.493 -0.368 -1.248 1.00 0.00 C ATOM 0 H ILE A 59 -2.606 -3.457 0.773 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.258 -4.099 -1.877 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.686 -2.962 -0.705 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.136 -1.580 -1.860 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.755 -1.692 -0.153 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.321 -2.018 -2.954 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.351 -3.797 -2.984 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -1.765 -2.874 -3.544 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -2.130 0.494 -1.049 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.685 -0.399 -0.517 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.072 -0.285 -2.250 1.00 0.00 H new ATOM 935 N ILE A 60 -0.671 -5.740 -0.592 1.00 0.00 N ATOM 936 CA ILE A 60 0.195 -6.903 -0.773 1.00 0.00 C ATOM 937 C ILE A 60 -0.626 -8.188 -0.789 1.00 0.00 C ATOM 938 O ILE A 60 -0.364 -9.106 -1.566 1.00 0.00 O ATOM 939 CB ILE A 60 1.278 -6.986 0.327 1.00 0.00 C ATOM 940 CG1 ILE A 60 2.087 -5.691 0.360 1.00 0.00 C ATOM 941 CG2 ILE A 60 2.195 -8.182 0.087 1.00 0.00 C ATOM 942 CD1 ILE A 60 3.087 -5.627 1.496 1.00 0.00 C ATOM 0 H ILE A 60 -0.501 -5.218 0.268 1.00 0.00 H new ATOM 0 HA ILE A 60 0.696 -6.786 -1.734 1.00 0.00 H new ATOM 0 HB ILE A 60 0.788 -7.120 1.292 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.617 -5.580 -0.586 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.402 -4.847 0.442 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.951 -8.224 0.871 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.607 -9.100 0.100 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.683 -8.078 -0.882 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.624 -4.679 1.455 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.562 -5.706 2.448 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.796 -6.450 1.404 1.00 0.00 H new ATOM 954 N ARG A 61 -1.627 -8.236 0.073 1.00 0.00 N ATOM 955 CA ARG A 61 -2.501 -9.397 0.179 1.00 0.00 C ATOM 956 C ARG A 61 -3.362 -9.577 -1.074 1.00 0.00 C ATOM 957 O ARG A 61 -3.665 -10.704 -1.474 1.00 0.00 O ATOM 958 CB ARG A 61 -3.399 -9.247 1.412 1.00 0.00 C ATOM 959 CG ARG A 61 -4.500 -10.291 1.519 1.00 0.00 C ATOM 960 CD ARG A 61 -5.363 -10.046 2.744 1.00 0.00 C ATOM 961 NE ARG A 61 -6.540 -10.911 2.779 1.00 0.00 N ATOM 962 CZ ARG A 61 -7.109 -11.345 3.902 1.00 0.00 C ATOM 963 NH1 ARG A 61 -6.548 -11.087 5.078 1.00 0.00 N ATOM 964 NH2 ARG A 61 -8.224 -12.061 3.850 1.00 0.00 N ATOM 0 H ARG A 61 -1.858 -7.478 0.716 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.875 -10.284 0.278 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.778 -9.298 2.307 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.854 -8.257 1.396 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.119 -10.265 0.622 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.059 -11.286 1.573 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.768 -10.210 3.643 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.681 -9.004 2.758 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.950 -11.199 1.891 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.679 -10.555 5.123 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.986 -11.421 5.936 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.648 -12.280 2.948 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -8.658 -12.392 4.712 1.00 0.00 H new ATOM 978 N ASP A 62 -3.757 -8.472 -1.691 1.00 0.00 N ATOM 979 CA ASP A 62 -4.723 -8.523 -2.783 1.00 0.00 C ATOM 980 C ASP A 62 -4.050 -8.613 -4.147 1.00 0.00 C ATOM 981 O ASP A 62 -4.624 -9.142 -5.100 1.00 0.00 O ATOM 982 CB ASP A 62 -5.655 -7.309 -2.730 1.00 0.00 C ATOM 983 CG ASP A 62 -6.846 -7.450 -3.655 1.00 0.00 C ATOM 984 OD1 ASP A 62 -7.792 -8.192 -3.305 1.00 0.00 O ATOM 985 OD2 ASP A 62 -6.853 -6.813 -4.728 1.00 0.00 O ATOM 0 H ASP A 62 -3.427 -7.535 -1.458 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.309 -9.432 -2.650 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.008 -7.170 -1.708 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.095 -6.413 -2.998 1.00 0.00 H new ATOM 990 N THR A 63 -2.828 -8.132 -4.233 1.00 0.00 N ATOM 991 CA THR A 63 -2.106 -8.134 -5.500 1.00 0.00 C ATOM 992 C THR A 63 -0.836 -8.975 -5.412 1.00 0.00 C ATOM 993 O THR A 63 0.037 -8.722 -4.582 1.00 0.00 O ATOM 994 CB THR A 63 -1.756 -6.703 -5.968 1.00 0.00 C ATOM 995 OG1 THR A 63 -1.023 -6.003 -4.957 1.00 0.00 O ATOM 996 CG2 THR A 63 -3.015 -5.922 -6.310 1.00 0.00 C ATOM 0 H THR A 63 -2.311 -7.735 -3.449 1.00 0.00 H new ATOM 0 HA THR A 63 -2.773 -8.579 -6.238 1.00 0.00 H new ATOM 0 HB THR A 63 -1.138 -6.791 -6.862 1.00 0.00 H new ATOM 0 HG1 THR A 63 -1.544 -5.986 -4.127 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.743 -4.918 -6.637 1.00 0.00 H new ATOM 0 HG22 THR A 63 -3.553 -6.431 -7.110 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.653 -5.856 -5.429 1.00 0.00 H new ATOM 1004 N VAL A 64 -0.735 -9.970 -6.287 1.00 0.00 N ATOM 1005 CA VAL A 64 0.413 -10.870 -6.303 1.00 0.00 C ATOM 1006 C VAL A 64 1.633 -10.190 -6.913 1.00 0.00 C ATOM 1007 O VAL A 64 2.746 -10.720 -6.867 1.00 0.00 O ATOM 1008 CB VAL A 64 0.113 -12.163 -7.086 1.00 0.00 C ATOM 1009 CG1 VAL A 64 -0.961 -12.982 -6.383 1.00 0.00 C ATOM 1010 CG2 VAL A 64 -0.303 -11.848 -8.514 1.00 0.00 C ATOM 0 H VAL A 64 -1.438 -10.174 -6.998 1.00 0.00 H new ATOM 0 HA VAL A 64 0.622 -11.129 -5.265 1.00 0.00 H new ATOM 0 HB VAL A 64 1.027 -12.756 -7.122 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.157 -13.890 -6.953 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.619 -13.248 -5.383 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.876 -12.395 -6.310 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.509 -12.777 -9.046 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -1.200 -11.229 -8.503 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.502 -11.312 -9.018 1.00 0.00 H new ATOM 1020 N GLU A 65 1.409 -9.018 -7.488 1.00 0.00 N ATOM 1021 CA GLU A 65 2.473 -8.219 -8.076 1.00 0.00 C ATOM 1022 C GLU A 65 3.553 -7.902 -7.046 1.00 0.00 C ATOM 1023 O GLU A 65 4.742 -7.892 -7.361 1.00 0.00 O ATOM 1024 CB GLU A 65 1.909 -6.914 -8.651 1.00 0.00 C ATOM 1025 CG GLU A 65 1.076 -7.087 -9.920 1.00 0.00 C ATOM 1026 CD GLU A 65 -0.181 -7.914 -9.725 1.00 0.00 C ATOM 1027 OE1 GLU A 65 -0.806 -7.827 -8.648 1.00 0.00 O ATOM 1028 OE2 GLU A 65 -0.553 -8.658 -10.652 1.00 0.00 O ATOM 0 H GLU A 65 0.484 -8.594 -7.560 1.00 0.00 H new ATOM 0 HA GLU A 65 2.920 -8.802 -8.881 1.00 0.00 H new ATOM 0 HB2 GLU A 65 1.294 -6.433 -7.891 1.00 0.00 H new ATOM 0 HB3 GLU A 65 2.737 -6.238 -8.865 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.796 -6.103 -10.296 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.693 -7.557 -10.686 1.00 0.00 H new ATOM 1035 N PHE A 66 3.136 -7.655 -5.811 1.00 0.00 N ATOM 1036 CA PHE A 66 4.072 -7.311 -4.751 1.00 0.00 C ATOM 1037 C PHE A 66 4.518 -8.553 -3.987 1.00 0.00 C ATOM 1038 O PHE A 66 5.370 -8.473 -3.102 1.00 0.00 O ATOM 1039 CB PHE A 66 3.446 -6.294 -3.796 1.00 0.00 C ATOM 1040 CG PHE A 66 3.164 -4.968 -4.439 1.00 0.00 C ATOM 1041 CD1 PHE A 66 4.171 -4.027 -4.580 1.00 0.00 C ATOM 1042 CD2 PHE A 66 1.896 -4.662 -4.901 1.00 0.00 C ATOM 1043 CE1 PHE A 66 3.918 -2.806 -5.171 1.00 0.00 C ATOM 1044 CE2 PHE A 66 1.637 -3.441 -5.494 1.00 0.00 C ATOM 1045 CZ PHE A 66 2.650 -2.512 -5.630 1.00 0.00 C ATOM 0 H PHE A 66 2.159 -7.686 -5.520 1.00 0.00 H new ATOM 0 HA PHE A 66 4.953 -6.864 -5.211 1.00 0.00 H new ATOM 0 HB2 PHE A 66 2.516 -6.703 -3.400 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.114 -6.144 -2.948 1.00 0.00 H new ATOM 0 HD1 PHE A 66 5.165 -4.252 -4.223 1.00 0.00 H new ATOM 0 HD2 PHE A 66 1.100 -5.385 -4.797 1.00 0.00 H new ATOM 0 HE1 PHE A 66 4.712 -2.081 -5.274 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.643 -3.213 -5.851 1.00 0.00 H new ATOM 0 HZ PHE A 66 2.450 -1.558 -6.094 1.00 0.00 H new ATOM 1055 N SER A 67 3.943 -9.698 -4.332 1.00 0.00 N ATOM 1056 CA SER A 67 4.318 -10.957 -3.707 1.00 0.00 C ATOM 1057 C SER A 67 5.658 -11.443 -4.264 1.00 0.00 C ATOM 1058 O SER A 67 6.509 -11.950 -3.528 1.00 0.00 O ATOM 1059 CB SER A 67 3.230 -12.008 -3.948 1.00 0.00 C ATOM 1060 OG SER A 67 1.949 -11.519 -3.579 1.00 0.00 O ATOM 0 H SER A 67 3.215 -9.779 -5.042 1.00 0.00 H new ATOM 0 HA SER A 67 4.422 -10.801 -2.633 1.00 0.00 H new ATOM 0 HB2 SER A 67 3.224 -12.293 -5.000 1.00 0.00 H new ATOM 0 HB3 SER A 67 3.457 -12.907 -3.375 1.00 0.00 H new ATOM 0 HG SER A 67 1.298 -12.251 -3.608 1.00 0.00 H new