USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=17 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 12 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 24 ASN : amide:sc= 0.697 K(o=0.7,f=-4.7!) USER MOD Single : A 2 THR OG1 : rot 37:sc= 0.269 USER MOD Single : A 3 HIS : no HD1:sc= -0.027 X(o=-0.027,f=-0.0019) USER MOD Single : A 4 HIS : no HD1:sc= 1.16 K(o=1.2,f=-5.3!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -21:sc= 0.12 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 30:sc= 0.563 USER MOD Single : A 26 LYS NZ :NH3+ 169:sc=-0.00312 (180deg=-0.122) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc=-0.00217 USER MOD Single : A 41 SER OG : rot -34:sc= 0.992 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -140:sc= -0.391 USER MOD Single : A 48 GLN : amide:sc= -0.171 X(o=-0.17,f=-0.11) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= -0.0369 USER MOD Single : A 63 THR OG1 : rot -74:sc= 1.02 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 12.265 5.955 12.727 1.00 0.00 N ATOM 21 CA THR A 2 11.829 6.769 11.602 1.00 0.00 C ATOM 22 C THR A 2 11.284 5.903 10.475 1.00 0.00 C ATOM 23 O THR A 2 10.231 6.193 9.901 1.00 0.00 O ATOM 24 CB THR A 2 12.985 7.619 11.053 1.00 0.00 C ATOM 25 OG1 THR A 2 13.713 8.218 12.132 1.00 0.00 O ATOM 26 CG2 THR A 2 12.463 8.707 10.126 1.00 0.00 C ATOM 0 HA THR A 2 11.039 7.423 11.972 1.00 0.00 H new ATOM 0 HB THR A 2 13.648 6.965 10.487 1.00 0.00 H new ATOM 0 HG1 THR A 2 13.756 7.592 12.885 1.00 0.00 H new ATOM 0 HG21 THR A 2 13.299 9.296 9.749 1.00 0.00 H new ATOM 0 HG22 THR A 2 11.935 8.250 9.289 1.00 0.00 H new ATOM 0 HG23 THR A 2 11.780 9.356 10.675 1.00 0.00 H new ATOM 34 N HIS A 3 12.002 4.838 10.161 1.00 0.00 N ATOM 35 CA HIS A 3 11.602 3.958 9.074 1.00 0.00 C ATOM 36 C HIS A 3 10.949 2.698 9.619 1.00 0.00 C ATOM 37 O HIS A 3 11.352 2.185 10.664 1.00 0.00 O ATOM 38 CB HIS A 3 12.800 3.597 8.177 1.00 0.00 C ATOM 39 CG HIS A 3 13.749 2.585 8.757 1.00 0.00 C ATOM 40 ND1 HIS A 3 14.084 1.421 8.104 1.00 0.00 N ATOM 41 CD2 HIS A 3 14.449 2.574 9.916 1.00 0.00 C ATOM 42 CE1 HIS A 3 14.942 0.738 8.834 1.00 0.00 C ATOM 43 NE2 HIS A 3 15.182 1.412 9.943 1.00 0.00 N ATOM 0 H HIS A 3 12.860 4.562 10.639 1.00 0.00 H new ATOM 0 HA HIS A 3 10.874 4.493 8.464 1.00 0.00 H new ATOM 0 HB2 HIS A 3 12.422 3.216 7.228 1.00 0.00 H new ATOM 0 HB3 HIS A 3 13.356 4.508 7.955 1.00 0.00 H new ATOM 0 HD2 HIS A 3 14.434 3.338 10.679 1.00 0.00 H new ATOM 0 HE1 HIS A 3 15.377 -0.215 8.569 1.00 0.00 H new ATOM 0 HE2 HIS A 3 15.807 1.119 10.694 1.00 0.00 H new ATOM 52 N HIS A 4 9.937 2.214 8.922 1.00 0.00 N ATOM 53 CA HIS A 4 9.294 0.965 9.284 1.00 0.00 C ATOM 54 C HIS A 4 9.611 -0.086 8.236 1.00 0.00 C ATOM 55 O HIS A 4 9.226 0.052 7.076 1.00 0.00 O ATOM 56 CB HIS A 4 7.771 1.137 9.385 1.00 0.00 C ATOM 57 CG HIS A 4 7.044 -0.084 9.854 1.00 0.00 C ATOM 58 ND1 HIS A 4 7.218 -0.644 11.099 1.00 0.00 N ATOM 59 CD2 HIS A 4 6.125 -0.844 9.229 1.00 0.00 C ATOM 60 CE1 HIS A 4 6.441 -1.707 11.217 1.00 0.00 C ATOM 61 NE2 HIS A 4 5.765 -1.852 10.093 1.00 0.00 N ATOM 0 H HIS A 4 9.542 2.669 8.099 1.00 0.00 H new ATOM 0 HA HIS A 4 9.672 0.653 10.258 1.00 0.00 H new ATOM 0 HB2 HIS A 4 7.554 1.959 10.067 1.00 0.00 H new ATOM 0 HB3 HIS A 4 7.384 1.423 8.407 1.00 0.00 H new ATOM 0 HD2 HIS A 4 5.741 -0.690 8.231 1.00 0.00 H new ATOM 0 HE1 HIS A 4 6.371 -2.347 12.084 1.00 0.00 H new ATOM 0 HE2 HIS A 4 5.088 -2.589 9.897 1.00 0.00 H new ATOM 70 N THR A 5 10.306 -1.128 8.649 1.00 0.00 N ATOM 71 CA THR A 5 10.577 -2.257 7.781 1.00 0.00 C ATOM 72 C THR A 5 9.652 -3.401 8.152 1.00 0.00 C ATOM 73 O THR A 5 9.455 -3.694 9.335 1.00 0.00 O ATOM 74 CB THR A 5 12.035 -2.718 7.908 1.00 0.00 C ATOM 75 OG1 THR A 5 12.898 -1.570 7.960 1.00 0.00 O ATOM 76 CG2 THR A 5 12.438 -3.612 6.744 1.00 0.00 C ATOM 0 H THR A 5 10.696 -1.216 9.587 1.00 0.00 H new ATOM 0 HA THR A 5 10.406 -1.950 6.749 1.00 0.00 H new ATOM 0 HB THR A 5 12.131 -3.297 8.826 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.829 -1.864 8.043 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.476 -3.921 6.865 1.00 0.00 H new ATOM 0 HG22 THR A 5 11.797 -4.494 6.723 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.329 -3.063 5.809 1.00 0.00 H new ATOM 84 N GLU A 6 9.085 -4.032 7.148 1.00 0.00 N ATOM 85 CA GLU A 6 8.084 -5.060 7.363 1.00 0.00 C ATOM 86 C GLU A 6 7.966 -5.953 6.137 1.00 0.00 C ATOM 87 O GLU A 6 8.040 -5.477 5.002 1.00 0.00 O ATOM 88 CB GLU A 6 6.735 -4.405 7.678 1.00 0.00 C ATOM 89 CG GLU A 6 5.653 -5.382 8.099 1.00 0.00 C ATOM 90 CD GLU A 6 4.382 -4.684 8.542 1.00 0.00 C ATOM 91 OE1 GLU A 6 4.383 -4.081 9.638 1.00 0.00 O ATOM 92 OE2 GLU A 6 3.378 -4.733 7.806 1.00 0.00 O ATOM 0 H GLU A 6 9.300 -3.852 6.167 1.00 0.00 H new ATOM 0 HA GLU A 6 8.386 -5.679 8.207 1.00 0.00 H new ATOM 0 HB2 GLU A 6 6.876 -3.672 8.472 1.00 0.00 H new ATOM 0 HB3 GLU A 6 6.394 -3.860 6.798 1.00 0.00 H new ATOM 0 HG2 GLU A 6 5.427 -6.049 7.267 1.00 0.00 H new ATOM 0 HG3 GLU A 6 6.026 -6.003 8.914 1.00 0.00 H new ATOM 99 N VAL A 7 7.806 -7.244 6.369 1.00 0.00 N ATOM 100 CA VAL A 7 7.576 -8.190 5.293 1.00 0.00 C ATOM 101 C VAL A 7 6.207 -8.826 5.468 1.00 0.00 C ATOM 102 O VAL A 7 5.964 -9.537 6.444 1.00 0.00 O ATOM 103 CB VAL A 7 8.659 -9.291 5.240 1.00 0.00 C ATOM 104 CG1 VAL A 7 8.335 -10.329 4.171 1.00 0.00 C ATOM 105 CG2 VAL A 7 10.021 -8.673 4.981 1.00 0.00 C ATOM 0 H VAL A 7 7.831 -7.662 7.299 1.00 0.00 H new ATOM 0 HA VAL A 7 7.624 -7.642 4.352 1.00 0.00 H new ATOM 0 HB VAL A 7 8.677 -9.797 6.205 1.00 0.00 H new ATOM 0 HG11 VAL A 7 9.114 -11.091 4.156 1.00 0.00 H new ATOM 0 HG12 VAL A 7 7.375 -10.795 4.395 1.00 0.00 H new ATOM 0 HG13 VAL A 7 8.284 -9.844 3.196 1.00 0.00 H new ATOM 0 HG21 VAL A 7 10.776 -9.458 4.946 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.005 -8.142 4.029 1.00 0.00 H new ATOM 0 HG23 VAL A 7 10.262 -7.974 5.782 1.00 0.00 H new ATOM 115 N PHE A 8 5.317 -8.556 4.530 1.00 0.00 N ATOM 116 CA PHE A 8 3.958 -9.055 4.611 1.00 0.00 C ATOM 117 C PHE A 8 3.726 -10.112 3.541 1.00 0.00 C ATOM 118 O PHE A 8 3.658 -9.797 2.355 1.00 0.00 O ATOM 119 CB PHE A 8 2.959 -7.908 4.438 1.00 0.00 C ATOM 120 CG PHE A 8 1.547 -8.281 4.790 1.00 0.00 C ATOM 121 CD1 PHE A 8 1.147 -8.339 6.116 1.00 0.00 C ATOM 122 CD2 PHE A 8 0.621 -8.568 3.801 1.00 0.00 C ATOM 123 CE1 PHE A 8 -0.151 -8.674 6.446 1.00 0.00 C ATOM 124 CE2 PHE A 8 -0.678 -8.902 4.126 1.00 0.00 C ATOM 125 CZ PHE A 8 -1.065 -8.956 5.451 1.00 0.00 C ATOM 0 H PHE A 8 5.512 -7.993 3.702 1.00 0.00 H new ATOM 0 HA PHE A 8 3.809 -9.504 5.593 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.270 -7.069 5.061 1.00 0.00 H new ATOM 0 HB3 PHE A 8 2.988 -7.565 3.404 1.00 0.00 H new ATOM 0 HD1 PHE A 8 1.858 -8.120 6.899 1.00 0.00 H new ATOM 0 HD2 PHE A 8 0.919 -8.530 2.764 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -0.451 -8.715 7.483 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.391 -9.121 3.345 1.00 0.00 H new ATOM 0 HZ PHE A 8 -2.081 -9.218 5.708 1.00 0.00 H new ATOM 135 N GLU A 9 3.636 -11.367 3.974 1.00 0.00 N ATOM 136 CA GLU A 9 3.353 -12.507 3.090 1.00 0.00 C ATOM 137 C GLU A 9 4.391 -12.654 1.970 1.00 0.00 C ATOM 138 O GLU A 9 4.208 -13.446 1.048 1.00 0.00 O ATOM 139 CB GLU A 9 1.947 -12.386 2.489 1.00 0.00 C ATOM 140 CG GLU A 9 0.840 -12.256 3.529 1.00 0.00 C ATOM 141 CD GLU A 9 0.735 -13.469 4.431 1.00 0.00 C ATOM 142 OE1 GLU A 9 1.461 -13.529 5.445 1.00 0.00 O ATOM 143 OE2 GLU A 9 -0.079 -14.366 4.134 1.00 0.00 O ATOM 0 H GLU A 9 3.757 -11.629 4.952 1.00 0.00 H new ATOM 0 HA GLU A 9 3.409 -13.405 3.706 1.00 0.00 H new ATOM 0 HB2 GLU A 9 1.917 -11.518 1.831 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.750 -13.262 1.871 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.023 -11.371 4.138 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.112 -12.103 3.022 1.00 0.00 H new ATOM 150 N GLY A 10 5.485 -11.910 2.071 1.00 0.00 N ATOM 151 CA GLY A 10 6.515 -11.949 1.047 1.00 0.00 C ATOM 152 C GLY A 10 6.788 -10.584 0.437 1.00 0.00 C ATOM 153 O GLY A 10 7.792 -10.391 -0.254 1.00 0.00 O ATOM 0 H GLY A 10 5.679 -11.277 2.847 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.436 -12.340 1.479 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.213 -12.640 0.260 1.00 0.00 H new ATOM 157 N GLY A 11 5.899 -9.637 0.696 1.00 0.00 N ATOM 158 CA GLY A 11 6.070 -8.292 0.175 1.00 0.00 C ATOM 159 C GLY A 11 6.872 -7.416 1.118 1.00 0.00 C ATOM 160 O GLY A 11 6.790 -7.576 2.335 1.00 0.00 O ATOM 0 H GLY A 11 5.059 -9.774 1.259 1.00 0.00 H new ATOM 0 HA2 GLY A 11 6.572 -8.339 -0.792 1.00 0.00 H new ATOM 0 HA3 GLY A 11 5.092 -7.842 0.005 1.00 0.00 H new ATOM 164 N THR A 12 7.644 -6.497 0.561 1.00 0.00 N ATOM 165 CA THR A 12 8.506 -5.642 1.360 1.00 0.00 C ATOM 166 C THR A 12 7.884 -4.263 1.538 1.00 0.00 C ATOM 167 O THR A 12 7.686 -3.534 0.570 1.00 0.00 O ATOM 168 CB THR A 12 9.889 -5.489 0.699 1.00 0.00 C ATOM 169 OG1 THR A 12 10.346 -6.764 0.218 1.00 0.00 O ATOM 170 CG2 THR A 12 10.897 -4.922 1.690 1.00 0.00 C ATOM 0 H THR A 12 7.691 -6.324 -0.443 1.00 0.00 H new ATOM 0 HA THR A 12 8.623 -6.113 2.336 1.00 0.00 H new ATOM 0 HB THR A 12 9.797 -4.798 -0.139 1.00 0.00 H new ATOM 0 HG1 THR A 12 11.225 -6.659 -0.203 1.00 0.00 H new ATOM 0 HG21 THR A 12 11.868 -4.821 1.204 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.560 -3.944 2.033 1.00 0.00 H new ATOM 0 HG23 THR A 12 10.986 -5.594 2.543 1.00 0.00 H new ATOM 178 N ILE A 13 7.575 -3.906 2.773 1.00 0.00 N ATOM 179 CA ILE A 13 7.017 -2.597 3.057 1.00 0.00 C ATOM 180 C ILE A 13 8.111 -1.659 3.556 1.00 0.00 C ATOM 181 O ILE A 13 8.761 -1.931 4.569 1.00 0.00 O ATOM 182 CB ILE A 13 5.883 -2.680 4.103 1.00 0.00 C ATOM 183 CG1 ILE A 13 4.788 -3.640 3.623 1.00 0.00 C ATOM 184 CG2 ILE A 13 5.297 -1.298 4.375 1.00 0.00 C ATOM 185 CD1 ILE A 13 3.648 -3.819 4.602 1.00 0.00 C ATOM 0 H ILE A 13 7.701 -4.502 3.591 1.00 0.00 H new ATOM 0 HA ILE A 13 6.595 -2.207 2.131 1.00 0.00 H new ATOM 0 HB ILE A 13 6.301 -3.063 5.034 1.00 0.00 H new ATOM 0 HG12 ILE A 13 4.387 -3.273 2.678 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.236 -4.613 3.422 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.500 -1.380 5.114 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.078 -0.640 4.755 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.893 -0.886 3.450 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.917 -4.513 4.186 1.00 0.00 H new ATOM 0 HD12 ILE A 13 4.034 -4.217 5.541 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.171 -2.856 4.785 1.00 0.00 H new ATOM 197 N ASP A 14 8.319 -0.567 2.831 1.00 0.00 N ATOM 198 CA ASP A 14 9.347 0.403 3.169 1.00 0.00 C ATOM 199 C ASP A 14 8.709 1.744 3.504 1.00 0.00 C ATOM 200 O ASP A 14 8.304 2.490 2.611 1.00 0.00 O ATOM 201 CB ASP A 14 10.328 0.595 2.004 1.00 0.00 C ATOM 202 CG ASP A 14 10.925 -0.704 1.489 1.00 0.00 C ATOM 203 OD1 ASP A 14 11.793 -1.283 2.179 1.00 0.00 O ATOM 204 OD2 ASP A 14 10.539 -1.142 0.383 1.00 0.00 O ATOM 0 H ASP A 14 7.782 -0.332 1.997 1.00 0.00 H new ATOM 0 HA ASP A 14 9.893 0.024 4.033 1.00 0.00 H new ATOM 0 HB2 ASP A 14 9.813 1.098 1.186 1.00 0.00 H new ATOM 0 HB3 ASP A 14 11.135 1.254 2.325 1.00 0.00 H new ATOM 209 N ILE A 15 8.618 2.056 4.783 1.00 0.00 N ATOM 210 CA ILE A 15 8.011 3.307 5.212 1.00 0.00 C ATOM 211 C ILE A 15 9.051 4.217 5.844 1.00 0.00 C ATOM 212 O ILE A 15 9.713 3.833 6.800 1.00 0.00 O ATOM 213 CB ILE A 15 6.875 3.074 6.232 1.00 0.00 C ATOM 214 CG1 ILE A 15 5.811 2.145 5.651 1.00 0.00 C ATOM 215 CG2 ILE A 15 6.251 4.400 6.649 1.00 0.00 C ATOM 216 CD1 ILE A 15 4.691 1.815 6.620 1.00 0.00 C ATOM 0 H ILE A 15 8.955 1.464 5.543 1.00 0.00 H new ATOM 0 HA ILE A 15 7.594 3.776 4.321 1.00 0.00 H new ATOM 0 HB ILE A 15 7.302 2.599 7.115 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.384 2.608 4.761 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.287 1.218 5.331 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.453 4.216 7.368 1.00 0.00 H new ATOM 0 HG22 ILE A 15 7.012 5.033 7.106 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.841 4.901 5.772 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.975 1.151 6.136 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.105 1.322 7.500 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.188 2.734 6.921 1.00 0.00 H new ATOM 228 N GLU A 16 9.193 5.416 5.309 1.00 0.00 N ATOM 229 CA GLU A 16 10.114 6.392 5.864 1.00 0.00 C ATOM 230 C GLU A 16 9.358 7.624 6.323 1.00 0.00 C ATOM 231 O GLU A 16 8.521 8.152 5.594 1.00 0.00 O ATOM 232 CB GLU A 16 11.153 6.806 4.826 1.00 0.00 C ATOM 233 CG GLU A 16 12.591 6.518 5.235 1.00 0.00 C ATOM 234 CD GLU A 16 13.027 7.290 6.468 1.00 0.00 C ATOM 235 OE1 GLU A 16 12.975 8.538 6.445 1.00 0.00 O ATOM 236 OE2 GLU A 16 13.425 6.649 7.463 1.00 0.00 O ATOM 0 H GLU A 16 8.681 5.738 4.488 1.00 0.00 H new ATOM 0 HA GLU A 16 10.619 5.932 6.713 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.942 6.288 3.890 1.00 0.00 H new ATOM 0 HB3 GLU A 16 11.049 7.873 4.630 1.00 0.00 H new ATOM 0 HG2 GLU A 16 12.701 5.450 5.425 1.00 0.00 H new ATOM 0 HG3 GLU A 16 13.254 6.765 4.406 1.00 0.00 H new ATOM 243 N ASP A 17 9.636 8.058 7.542 1.00 0.00 N ATOM 244 CA ASP A 17 9.115 9.320 8.061 1.00 0.00 C ATOM 245 C ASP A 17 7.579 9.357 8.023 1.00 0.00 C ATOM 246 O ASP A 17 6.975 10.428 7.969 1.00 0.00 O ATOM 247 CB ASP A 17 9.713 10.493 7.271 1.00 0.00 C ATOM 248 CG ASP A 17 9.413 11.840 7.899 1.00 0.00 C ATOM 249 OD1 ASP A 17 9.768 12.042 9.078 1.00 0.00 O ATOM 250 OD2 ASP A 17 8.825 12.705 7.211 1.00 0.00 O ATOM 0 H ASP A 17 10.227 7.550 8.200 1.00 0.00 H new ATOM 0 HA ASP A 17 9.411 9.409 9.106 1.00 0.00 H new ATOM 0 HB2 ASP A 17 10.793 10.363 7.199 1.00 0.00 H new ATOM 0 HB3 ASP A 17 9.322 10.477 6.254 1.00 0.00 H new ATOM 255 N ASP A 18 6.962 8.168 8.037 1.00 0.00 N ATOM 256 CA ASP A 18 5.497 8.016 8.057 1.00 0.00 C ATOM 257 C ASP A 18 4.858 8.322 6.698 1.00 0.00 C ATOM 258 O ASP A 18 4.046 7.545 6.198 1.00 0.00 O ATOM 259 CB ASP A 18 4.874 8.898 9.152 1.00 0.00 C ATOM 260 CG ASP A 18 3.360 8.966 9.078 1.00 0.00 C ATOM 261 OD1 ASP A 18 2.834 9.836 8.344 1.00 0.00 O ATOM 262 OD2 ASP A 18 2.691 8.165 9.762 1.00 0.00 O ATOM 0 H ASP A 18 7.464 7.280 8.035 1.00 0.00 H new ATOM 0 HA ASP A 18 5.291 6.970 8.282 1.00 0.00 H new ATOM 0 HB2 ASP A 18 5.166 8.513 10.129 1.00 0.00 H new ATOM 0 HB3 ASP A 18 5.281 9.906 9.072 1.00 0.00 H new ATOM 267 N THR A 19 5.231 9.440 6.098 1.00 0.00 N ATOM 268 CA THR A 19 4.560 9.923 4.898 1.00 0.00 C ATOM 269 C THR A 19 5.275 9.480 3.609 1.00 0.00 C ATOM 270 O THR A 19 4.712 9.560 2.515 1.00 0.00 O ATOM 271 CB THR A 19 4.441 11.452 4.952 1.00 0.00 C ATOM 272 OG1 THR A 19 3.976 11.844 6.258 1.00 0.00 O ATOM 273 CG2 THR A 19 3.477 11.973 3.897 1.00 0.00 C ATOM 0 H THR A 19 5.996 10.033 6.421 1.00 0.00 H new ATOM 0 HA THR A 19 3.564 9.480 4.873 1.00 0.00 H new ATOM 0 HB THR A 19 5.424 11.879 4.753 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.529 11.085 6.688 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.417 13.059 3.964 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.833 11.689 2.907 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.489 11.544 4.063 1.00 0.00 H new ATOM 281 N SER A 20 6.508 9.009 3.731 1.00 0.00 N ATOM 282 CA SER A 20 7.231 8.490 2.578 1.00 0.00 C ATOM 283 C SER A 20 7.001 6.980 2.469 1.00 0.00 C ATOM 284 O SER A 20 7.642 6.190 3.163 1.00 0.00 O ATOM 285 CB SER A 20 8.727 8.818 2.702 1.00 0.00 C ATOM 286 OG SER A 20 8.930 10.219 2.848 1.00 0.00 O ATOM 0 H SER A 20 7.026 8.975 4.609 1.00 0.00 H new ATOM 0 HA SER A 20 6.860 8.963 1.669 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.148 8.294 3.560 1.00 0.00 H new ATOM 0 HB3 SER A 20 9.256 8.460 1.819 1.00 0.00 H new ATOM 0 HG SER A 20 9.889 10.404 2.927 1.00 0.00 H new ATOM 292 N LEU A 21 6.062 6.590 1.615 1.00 0.00 N ATOM 293 CA LEU A 21 5.637 5.198 1.529 1.00 0.00 C ATOM 294 C LEU A 21 6.128 4.527 0.249 1.00 0.00 C ATOM 295 O LEU A 21 5.858 4.990 -0.860 1.00 0.00 O ATOM 296 CB LEU A 21 4.112 5.112 1.604 1.00 0.00 C ATOM 297 CG LEU A 21 3.535 3.716 1.472 1.00 0.00 C ATOM 298 CD1 LEU A 21 3.974 2.835 2.629 1.00 0.00 C ATOM 299 CD2 LEU A 21 2.021 3.773 1.377 1.00 0.00 C ATOM 0 H LEU A 21 5.580 7.218 0.972 1.00 0.00 H new ATOM 0 HA LEU A 21 6.080 4.668 2.372 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.787 5.533 2.555 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.690 5.738 0.818 1.00 0.00 H new ATOM 0 HG LEU A 21 3.918 3.274 0.553 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.547 1.839 2.511 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.062 2.764 2.640 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.629 3.269 3.568 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.624 2.762 1.283 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.617 4.239 2.276 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.733 4.359 0.504 1.00 0.00 H new ATOM 311 N THR A 22 6.842 3.427 0.420 1.00 0.00 N ATOM 312 CA THR A 22 7.312 2.625 -0.694 1.00 0.00 C ATOM 313 C THR A 22 7.097 1.139 -0.412 1.00 0.00 C ATOM 314 O THR A 22 7.225 0.697 0.726 1.00 0.00 O ATOM 315 CB THR A 22 8.805 2.894 -0.981 1.00 0.00 C ATOM 316 OG1 THR A 22 9.467 3.330 0.217 1.00 0.00 O ATOM 317 CG2 THR A 22 8.974 3.943 -2.069 1.00 0.00 C ATOM 0 H THR A 22 7.111 3.066 1.335 1.00 0.00 H new ATOM 0 HA THR A 22 6.735 2.907 -1.575 1.00 0.00 H new ATOM 0 HB THR A 22 9.254 1.963 -1.327 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.024 2.936 0.997 1.00 0.00 H new ATOM 0 HG21 THR A 22 10.036 4.112 -2.250 1.00 0.00 H new ATOM 0 HG22 THR A 22 8.500 3.595 -2.987 1.00 0.00 H new ATOM 0 HG23 THR A 22 8.507 4.875 -1.751 1.00 0.00 H new ATOM 325 N ILE A 23 6.727 0.379 -1.430 1.00 0.00 N ATOM 326 CA ILE A 23 6.588 -1.062 -1.287 1.00 0.00 C ATOM 327 C ILE A 23 7.439 -1.769 -2.335 1.00 0.00 C ATOM 328 O ILE A 23 7.229 -1.593 -3.536 1.00 0.00 O ATOM 329 CB ILE A 23 5.116 -1.519 -1.405 1.00 0.00 C ATOM 330 CG1 ILE A 23 4.261 -0.866 -0.310 1.00 0.00 C ATOM 331 CG2 ILE A 23 5.016 -3.039 -1.320 1.00 0.00 C ATOM 332 CD1 ILE A 23 2.798 -1.261 -0.356 1.00 0.00 C ATOM 0 H ILE A 23 6.518 0.735 -2.363 1.00 0.00 H new ATOM 0 HA ILE A 23 6.933 -1.329 -0.288 1.00 0.00 H new ATOM 0 HB ILE A 23 4.737 -1.203 -2.377 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.669 -1.134 0.664 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.338 0.218 -0.400 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.972 -3.340 -1.405 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.590 -3.487 -2.131 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.414 -3.377 -0.363 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.260 -0.759 0.448 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.372 -0.968 -1.315 1.00 0.00 H new ATOM 0 HD13 ILE A 23 2.709 -2.340 -0.234 1.00 0.00 H new ATOM 344 N ASN A 24 8.421 -2.538 -1.863 1.00 0.00 N ATOM 345 CA ASN A 24 9.364 -3.242 -2.733 1.00 0.00 C ATOM 346 C ASN A 24 10.128 -2.259 -3.616 1.00 0.00 C ATOM 347 O ASN A 24 10.599 -2.610 -4.700 1.00 0.00 O ATOM 348 CB ASN A 24 8.642 -4.291 -3.589 1.00 0.00 C ATOM 349 CG ASN A 24 8.321 -5.558 -2.816 1.00 0.00 C ATOM 350 OD1 ASN A 24 7.272 -5.673 -2.186 1.00 0.00 O ATOM 351 ND2 ASN A 24 9.226 -6.525 -2.863 1.00 0.00 N ATOM 0 H ASN A 24 8.585 -2.690 -0.868 1.00 0.00 H new ATOM 0 HA ASN A 24 10.084 -3.759 -2.098 1.00 0.00 H new ATOM 0 HB2 ASN A 24 7.718 -3.863 -3.977 1.00 0.00 H new ATOM 0 HB3 ASN A 24 9.263 -4.542 -4.449 1.00 0.00 H new ATOM 0 HD21 ASN A 24 9.063 -7.401 -2.366 1.00 0.00 H new ATOM 0 HD22 ASN A 24 10.085 -6.394 -3.396 1.00 0.00 H new ATOM 358 N GLY A 25 10.263 -1.030 -3.132 1.00 0.00 N ATOM 359 CA GLY A 25 10.978 -0.008 -3.871 1.00 0.00 C ATOM 360 C GLY A 25 10.067 0.824 -4.754 1.00 0.00 C ATOM 361 O GLY A 25 10.493 1.826 -5.328 1.00 0.00 O ATOM 0 H GLY A 25 9.887 -0.722 -2.235 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.494 0.647 -3.169 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.743 -0.480 -4.488 1.00 0.00 H new ATOM 365 N LYS A 26 8.813 0.415 -4.863 1.00 0.00 N ATOM 366 CA LYS A 26 7.851 1.112 -5.701 1.00 0.00 C ATOM 367 C LYS A 26 7.058 2.114 -4.868 1.00 0.00 C ATOM 368 O LYS A 26 6.516 1.762 -3.818 1.00 0.00 O ATOM 369 CB LYS A 26 6.901 0.099 -6.346 1.00 0.00 C ATOM 370 CG LYS A 26 6.075 0.657 -7.491 1.00 0.00 C ATOM 371 CD LYS A 26 5.029 -0.347 -7.950 1.00 0.00 C ATOM 372 CE LYS A 26 4.382 0.067 -9.265 1.00 0.00 C ATOM 373 NZ LYS A 26 5.321 -0.057 -10.414 1.00 0.00 N ATOM 0 H LYS A 26 8.437 -0.400 -4.379 1.00 0.00 H new ATOM 0 HA LYS A 26 8.385 1.652 -6.483 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.484 -0.746 -6.712 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.227 -0.287 -5.581 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.586 1.578 -7.175 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.729 0.913 -8.325 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.493 -1.327 -8.066 1.00 0.00 H new ATOM 0 HD3 LYS A 26 4.261 -0.447 -7.183 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.503 -0.552 -9.447 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.036 1.098 -9.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.796 0.053 -11.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.050 0.682 -10.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.774 -0.993 -10.392 1.00 0.00 H new ATOM 387 N GLU A 27 7.019 3.364 -5.315 1.00 0.00 N ATOM 388 CA GLU A 27 6.225 4.389 -4.646 1.00 0.00 C ATOM 389 C GLU A 27 4.740 4.085 -4.778 1.00 0.00 C ATOM 390 O GLU A 27 4.179 4.141 -5.874 1.00 0.00 O ATOM 391 CB GLU A 27 6.520 5.776 -5.223 1.00 0.00 C ATOM 392 CG GLU A 27 7.898 6.306 -4.873 1.00 0.00 C ATOM 393 CD GLU A 27 8.145 7.683 -5.448 1.00 0.00 C ATOM 394 OE1 GLU A 27 7.622 8.675 -4.897 1.00 0.00 O ATOM 395 OE2 GLU A 27 8.866 7.786 -6.457 1.00 0.00 O ATOM 0 H GLU A 27 7.527 3.692 -6.136 1.00 0.00 H new ATOM 0 HA GLU A 27 6.499 4.385 -3.591 1.00 0.00 H new ATOM 0 HB2 GLU A 27 6.421 5.736 -6.308 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.769 6.477 -4.860 1.00 0.00 H new ATOM 0 HG2 GLU A 27 8.007 6.342 -3.789 1.00 0.00 H new ATOM 0 HG3 GLU A 27 8.656 5.617 -5.246 1.00 0.00 H new ATOM 402 N ILE A 28 4.109 3.753 -3.662 1.00 0.00 N ATOM 403 CA ILE A 28 2.688 3.448 -3.656 1.00 0.00 C ATOM 404 C ILE A 28 1.901 4.651 -3.153 1.00 0.00 C ATOM 405 O ILE A 28 1.821 4.904 -1.951 1.00 0.00 O ATOM 406 CB ILE A 28 2.369 2.214 -2.780 1.00 0.00 C ATOM 407 CG1 ILE A 28 3.171 0.997 -3.258 1.00 0.00 C ATOM 408 CG2 ILE A 28 0.876 1.910 -2.803 1.00 0.00 C ATOM 409 CD1 ILE A 28 2.859 0.572 -4.680 1.00 0.00 C ATOM 0 H ILE A 28 4.559 3.688 -2.749 1.00 0.00 H new ATOM 0 HA ILE A 28 2.396 3.216 -4.680 1.00 0.00 H new ATOM 0 HB ILE A 28 2.657 2.438 -1.753 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.235 1.223 -3.182 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.975 0.160 -2.588 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.673 1.039 -2.181 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.324 2.768 -2.418 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.562 1.706 -3.827 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.466 -0.294 -4.942 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.803 0.312 -4.759 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.083 1.392 -5.362 1.00 0.00 H new ATOM 421 N SER A 29 1.345 5.406 -4.082 1.00 0.00 N ATOM 422 CA SER A 29 0.608 6.607 -3.741 1.00 0.00 C ATOM 423 C SER A 29 -0.888 6.327 -3.646 1.00 0.00 C ATOM 424 O SER A 29 -1.492 5.808 -4.588 1.00 0.00 O ATOM 425 CB SER A 29 0.869 7.686 -4.785 1.00 0.00 C ATOM 426 OG SER A 29 2.260 7.847 -5.013 1.00 0.00 O ATOM 0 H SER A 29 1.390 5.207 -5.081 1.00 0.00 H new ATOM 0 HA SER A 29 0.951 6.953 -2.766 1.00 0.00 H new ATOM 0 HB2 SER A 29 0.372 7.422 -5.718 1.00 0.00 H new ATOM 0 HB3 SER A 29 0.440 8.631 -4.452 1.00 0.00 H new ATOM 0 HG SER A 29 2.402 8.543 -5.688 1.00 0.00 H new ATOM 432 N TYR A 30 -1.477 6.646 -2.501 1.00 0.00 N ATOM 433 CA TYR A 30 -2.922 6.570 -2.353 1.00 0.00 C ATOM 434 C TYR A 30 -3.523 7.892 -2.786 1.00 0.00 C ATOM 435 O TYR A 30 -2.864 8.929 -2.720 1.00 0.00 O ATOM 436 CB TYR A 30 -3.341 6.301 -0.905 1.00 0.00 C ATOM 437 CG TYR A 30 -2.643 5.133 -0.247 1.00 0.00 C ATOM 438 CD1 TYR A 30 -2.493 3.922 -0.908 1.00 0.00 C ATOM 439 CD2 TYR A 30 -2.148 5.241 1.046 1.00 0.00 C ATOM 440 CE1 TYR A 30 -1.867 2.853 -0.300 1.00 0.00 C ATOM 441 CE2 TYR A 30 -1.525 4.176 1.661 1.00 0.00 C ATOM 442 CZ TYR A 30 -1.386 2.984 0.985 1.00 0.00 C ATOM 443 OH TYR A 30 -0.771 1.920 1.595 1.00 0.00 O ATOM 0 H TYR A 30 -0.979 6.958 -1.667 1.00 0.00 H new ATOM 0 HA TYR A 30 -3.278 5.744 -2.969 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -3.152 7.198 -0.315 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -4.416 6.124 -0.880 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -2.872 3.815 -1.914 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -2.253 6.175 1.579 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -1.754 1.918 -0.829 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -1.148 4.276 2.668 1.00 0.00 H new ATOM 0 HH TYR A 30 -0.489 2.178 2.497 1.00 0.00 H new ATOM 618 N SER A 41 -6.568 3.835 -2.763 1.00 0.00 N ATOM 619 CA SER A 41 -5.499 3.427 -3.642 1.00 0.00 C ATOM 620 C SER A 41 -6.067 2.971 -4.977 1.00 0.00 C ATOM 621 O SER A 41 -7.190 2.483 -5.040 1.00 0.00 O ATOM 622 CB SER A 41 -4.701 2.297 -2.994 1.00 0.00 C ATOM 623 OG SER A 41 -5.482 1.121 -2.856 1.00 0.00 O ATOM 0 HA SER A 41 -4.836 4.274 -3.816 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.819 2.081 -3.597 1.00 0.00 H new ATOM 0 HB3 SER A 41 -4.346 2.616 -2.014 1.00 0.00 H new ATOM 0 HG SER A 41 -6.414 1.366 -2.678 1.00 0.00 H new ATOM 629 N ARG A 42 -5.292 3.121 -6.041 1.00 0.00 N ATOM 630 CA ARG A 42 -5.713 2.634 -7.348 1.00 0.00 C ATOM 631 C ARG A 42 -5.348 1.156 -7.507 1.00 0.00 C ATOM 632 O ARG A 42 -5.232 0.636 -8.616 1.00 0.00 O ATOM 633 CB ARG A 42 -5.109 3.492 -8.464 1.00 0.00 C ATOM 634 CG ARG A 42 -3.615 3.729 -8.335 1.00 0.00 C ATOM 635 CD ARG A 42 -3.155 4.827 -9.283 1.00 0.00 C ATOM 636 NE ARG A 42 -1.725 5.100 -9.163 1.00 0.00 N ATOM 637 CZ ARG A 42 -1.203 6.319 -9.021 1.00 0.00 C ATOM 638 NH1 ARG A 42 -1.988 7.392 -8.980 1.00 0.00 N ATOM 639 NH2 ARG A 42 0.111 6.464 -8.941 1.00 0.00 N ATOM 0 H ARG A 42 -4.377 3.571 -6.027 1.00 0.00 H new ATOM 0 HA ARG A 42 -6.797 2.718 -7.424 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -5.307 3.012 -9.422 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -5.617 4.456 -8.480 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -3.374 4.005 -7.308 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -3.076 2.807 -8.552 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -3.382 4.537 -10.309 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -3.715 5.739 -9.078 1.00 0.00 H new ATOM 0 HE ARG A 42 -1.084 4.307 -9.190 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -3.000 7.287 -9.057 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -1.578 8.320 -8.871 1.00 0.00 H new ATOM 0 HH21 ARG A 42 0.718 5.646 -8.988 1.00 0.00 H new ATOM 0 HH22 ARG A 42 0.516 7.394 -8.832 1.00 0.00 H new ATOM 653 N TYR A 43 -5.179 0.491 -6.371 1.00 0.00 N ATOM 654 CA TYR A 43 -4.985 -0.949 -6.323 1.00 0.00 C ATOM 655 C TYR A 43 -6.187 -1.574 -5.626 1.00 0.00 C ATOM 656 O TYR A 43 -6.810 -2.503 -6.140 1.00 0.00 O ATOM 657 CB TYR A 43 -3.692 -1.304 -5.577 1.00 0.00 C ATOM 658 CG TYR A 43 -2.435 -0.801 -6.253 1.00 0.00 C ATOM 659 CD1 TYR A 43 -1.817 -1.549 -7.246 1.00 0.00 C ATOM 660 CD2 TYR A 43 -1.863 0.415 -5.897 1.00 0.00 C ATOM 661 CE1 TYR A 43 -0.666 -1.100 -7.866 1.00 0.00 C ATOM 662 CE2 TYR A 43 -0.711 0.871 -6.514 1.00 0.00 C ATOM 663 CZ TYR A 43 -0.117 0.110 -7.498 1.00 0.00 C ATOM 664 OH TYR A 43 1.028 0.559 -8.115 1.00 0.00 O ATOM 0 H TYR A 43 -5.173 0.939 -5.455 1.00 0.00 H new ATOM 0 HA TYR A 43 -4.896 -1.338 -7.337 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -3.741 -0.891 -4.569 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -3.629 -2.387 -5.475 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -2.243 -2.497 -7.539 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -2.325 1.014 -5.126 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.198 -1.695 -8.636 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -0.280 1.818 -6.226 1.00 0.00 H new ATOM 0 HH TYR A 43 1.282 1.428 -7.740 1.00 0.00 H new ATOM 674 N LEU A 44 -6.499 -1.041 -4.449 1.00 0.00 N ATOM 675 CA LEU A 44 -7.707 -1.403 -3.718 1.00 0.00 C ATOM 676 C LEU A 44 -8.519 -0.144 -3.418 1.00 0.00 C ATOM 677 O LEU A 44 -8.333 0.497 -2.378 1.00 0.00 O ATOM 678 CB LEU A 44 -7.383 -2.142 -2.411 1.00 0.00 C ATOM 679 CG LEU A 44 -6.984 -3.617 -2.550 1.00 0.00 C ATOM 680 CD1 LEU A 44 -5.570 -3.758 -3.090 1.00 0.00 C ATOM 681 CD2 LEU A 44 -7.120 -4.325 -1.208 1.00 0.00 C ATOM 0 H LEU A 44 -5.921 -0.346 -3.976 1.00 0.00 H new ATOM 0 HA LEU A 44 -8.289 -2.080 -4.343 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.572 -1.613 -1.910 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.254 -2.082 -1.758 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.659 -4.086 -3.266 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.317 -4.815 -3.177 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.507 -3.288 -4.071 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.871 -3.273 -2.409 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.834 -5.371 -1.318 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.469 -3.846 -0.476 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.154 -4.265 -0.868 1.00 0.00 H new ATOM 693 N PRO A 45 -9.376 0.269 -4.362 1.00 0.00 N ATOM 694 CA PRO A 45 -10.194 1.461 -4.215 1.00 0.00 C ATOM 695 C PRO A 45 -11.538 1.177 -3.546 1.00 0.00 C ATOM 696 O PRO A 45 -12.225 0.216 -3.899 1.00 0.00 O ATOM 697 CB PRO A 45 -10.391 1.907 -5.661 1.00 0.00 C ATOM 698 CG PRO A 45 -10.334 0.653 -6.477 1.00 0.00 C ATOM 699 CD PRO A 45 -9.607 -0.390 -5.657 1.00 0.00 C ATOM 0 HA PRO A 45 -9.727 2.209 -3.575 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -11.347 2.415 -5.788 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -9.614 2.609 -5.965 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -11.339 0.312 -6.727 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -9.814 0.831 -7.418 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -10.204 -1.295 -5.543 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -8.669 -0.684 -6.128 1.00 0.00 H new ATOM 707 N TYR A 46 -11.889 2.017 -2.568 1.00 0.00 N ATOM 708 CA TYR A 46 -13.185 1.949 -1.884 1.00 0.00 C ATOM 709 C TYR A 46 -13.298 0.690 -1.019 1.00 0.00 C ATOM 710 O TYR A 46 -14.378 0.349 -0.534 1.00 0.00 O ATOM 711 CB TYR A 46 -14.341 2.017 -2.899 1.00 0.00 C ATOM 712 CG TYR A 46 -14.391 3.314 -3.689 1.00 0.00 C ATOM 713 CD1 TYR A 46 -13.522 3.540 -4.748 1.00 0.00 C ATOM 714 CD2 TYR A 46 -15.312 4.305 -3.377 1.00 0.00 C ATOM 715 CE1 TYR A 46 -13.564 4.715 -5.472 1.00 0.00 C ATOM 716 CE2 TYR A 46 -15.361 5.485 -4.098 1.00 0.00 C ATOM 717 CZ TYR A 46 -14.484 5.685 -5.144 1.00 0.00 C ATOM 718 OH TYR A 46 -14.531 6.855 -5.868 1.00 0.00 O ATOM 0 H TYR A 46 -11.283 2.764 -2.228 1.00 0.00 H new ATOM 0 HA TYR A 46 -13.255 2.812 -1.222 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -14.250 1.183 -3.595 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -15.285 1.889 -2.369 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -12.799 2.782 -5.011 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -16.001 4.153 -2.559 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -12.878 4.872 -6.292 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -16.083 6.247 -3.843 1.00 0.00 H new ATOM 0 HH TYR A 46 -15.236 7.433 -5.509 1.00 0.00 H new ATOM 728 N THR A 47 -12.172 0.018 -0.814 1.00 0.00 N ATOM 729 CA THR A 47 -12.122 -1.173 0.021 1.00 0.00 C ATOM 730 C THR A 47 -12.074 -0.784 1.500 1.00 0.00 C ATOM 731 O THR A 47 -11.903 0.391 1.831 1.00 0.00 O ATOM 732 CB THR A 47 -10.893 -2.021 -0.339 1.00 0.00 C ATOM 733 OG1 THR A 47 -10.607 -1.863 -1.733 1.00 0.00 O ATOM 734 CG2 THR A 47 -11.121 -3.496 -0.045 1.00 0.00 C ATOM 0 H THR A 47 -11.274 0.282 -1.219 1.00 0.00 H new ATOM 0 HA THR A 47 -13.022 -1.761 -0.158 1.00 0.00 H new ATOM 0 HB THR A 47 -10.056 -1.678 0.270 1.00 0.00 H new ATOM 0 HG1 THR A 47 -10.344 -2.727 -2.113 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.229 -4.063 -0.313 1.00 0.00 H new ATOM 0 HG22 THR A 47 -11.329 -3.627 1.017 1.00 0.00 H new ATOM 0 HG23 THR A 47 -11.969 -3.856 -0.628 1.00 0.00 H new ATOM 742 N GLN A 48 -12.224 -1.756 2.387 1.00 0.00 N ATOM 743 CA GLN A 48 -12.282 -1.472 3.814 1.00 0.00 C ATOM 744 C GLN A 48 -10.913 -1.618 4.467 1.00 0.00 C ATOM 745 O GLN A 48 -10.391 -2.726 4.621 1.00 0.00 O ATOM 746 CB GLN A 48 -13.290 -2.387 4.513 1.00 0.00 C ATOM 747 CG GLN A 48 -14.717 -2.221 4.015 1.00 0.00 C ATOM 748 CD GLN A 48 -15.235 -0.804 4.184 1.00 0.00 C ATOM 749 OE1 GLN A 48 -15.787 -0.452 5.225 1.00 0.00 O ATOM 750 NE2 GLN A 48 -15.075 0.014 3.154 1.00 0.00 N ATOM 0 H GLN A 48 -12.307 -2.744 2.146 1.00 0.00 H new ATOM 0 HA GLN A 48 -12.607 -0.438 3.924 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -12.984 -3.424 4.372 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -13.264 -2.190 5.585 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -14.764 -2.498 2.962 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -15.368 -2.908 4.555 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -14.612 -0.316 2.308 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -15.415 0.974 3.208 1.00 0.00 H new ATOM 759 N TYR A 49 -10.330 -0.491 4.838 1.00 0.00 N ATOM 760 CA TYR A 49 -9.078 -0.479 5.575 1.00 0.00 C ATOM 761 C TYR A 49 -9.194 0.446 6.776 1.00 0.00 C ATOM 762 O TYR A 49 -9.860 1.479 6.707 1.00 0.00 O ATOM 763 CB TYR A 49 -7.908 -0.063 4.676 1.00 0.00 C ATOM 764 CG TYR A 49 -8.175 1.154 3.811 1.00 0.00 C ATOM 765 CD1 TYR A 49 -8.010 2.441 4.307 1.00 0.00 C ATOM 766 CD2 TYR A 49 -8.579 1.007 2.489 1.00 0.00 C ATOM 767 CE1 TYR A 49 -8.238 3.546 3.513 1.00 0.00 C ATOM 768 CE2 TYR A 49 -8.811 2.108 1.689 1.00 0.00 C ATOM 769 CZ TYR A 49 -8.640 3.375 2.205 1.00 0.00 C ATOM 770 OH TYR A 49 -8.856 4.478 1.407 1.00 0.00 O ATOM 0 H TYR A 49 -10.708 0.435 4.639 1.00 0.00 H new ATOM 0 HA TYR A 49 -8.875 -1.490 5.927 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -7.039 0.137 5.303 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.648 -0.901 4.030 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -7.698 2.579 5.332 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -8.713 0.016 2.081 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -8.102 4.540 3.914 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.125 1.977 0.664 1.00 0.00 H new ATOM 0 HH TYR A 49 -9.134 4.186 0.514 1.00 0.00 H new ATOM 780 N ASP A 50 -8.561 0.066 7.873 1.00 0.00 N ATOM 781 CA ASP A 50 -8.683 0.816 9.118 1.00 0.00 C ATOM 782 C ASP A 50 -7.591 1.869 9.241 1.00 0.00 C ATOM 783 O ASP A 50 -7.822 2.970 9.741 1.00 0.00 O ATOM 784 CB ASP A 50 -8.628 -0.131 10.318 1.00 0.00 C ATOM 785 CG ASP A 50 -8.778 0.598 11.639 1.00 0.00 C ATOM 786 OD1 ASP A 50 -9.834 1.227 11.859 1.00 0.00 O ATOM 787 OD2 ASP A 50 -7.851 0.526 12.478 1.00 0.00 O ATOM 0 H ASP A 50 -7.958 -0.755 7.930 1.00 0.00 H new ATOM 0 HA ASP A 50 -9.647 1.324 9.104 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.418 -0.876 10.226 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -7.680 -0.669 10.309 1.00 0.00 H new ATOM 792 N SER A 51 -6.408 1.531 8.767 1.00 0.00 N ATOM 793 CA SER A 51 -5.262 2.415 8.886 1.00 0.00 C ATOM 794 C SER A 51 -4.465 2.426 7.585 1.00 0.00 C ATOM 795 O SER A 51 -4.677 1.579 6.718 1.00 0.00 O ATOM 796 CB SER A 51 -4.376 1.966 10.053 1.00 0.00 C ATOM 797 OG SER A 51 -3.323 2.887 10.289 1.00 0.00 O ATOM 0 H SER A 51 -6.214 0.648 8.294 1.00 0.00 H new ATOM 0 HA SER A 51 -5.614 3.428 9.082 1.00 0.00 H new ATOM 0 HB2 SER A 51 -4.982 1.865 10.954 1.00 0.00 H new ATOM 0 HB3 SER A 51 -3.959 0.982 9.838 1.00 0.00 H new ATOM 0 HG SER A 51 -2.777 2.574 11.040 1.00 0.00 H new ATOM 803 N LEU A 52 -3.550 3.384 7.454 1.00 0.00 N ATOM 804 CA LEU A 52 -2.715 3.500 6.263 1.00 0.00 C ATOM 805 C LEU A 52 -1.829 2.267 6.101 1.00 0.00 C ATOM 806 O LEU A 52 -1.677 1.741 5.000 1.00 0.00 O ATOM 807 CB LEU A 52 -1.853 4.765 6.344 1.00 0.00 C ATOM 808 CG LEU A 52 -2.633 6.079 6.414 1.00 0.00 C ATOM 809 CD1 LEU A 52 -1.678 7.254 6.551 1.00 0.00 C ATOM 810 CD2 LEU A 52 -3.511 6.247 5.182 1.00 0.00 C ATOM 0 H LEU A 52 -3.368 4.094 8.163 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.366 3.571 5.392 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.212 4.694 7.223 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.198 4.796 5.474 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.278 6.051 7.293 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.248 8.182 6.600 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.090 7.141 7.462 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.010 7.283 5.690 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.058 7.187 5.250 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.887 6.254 4.289 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.218 5.420 5.124 1.00 0.00 H new ATOM 822 N LEU A 53 -1.263 1.800 7.208 1.00 0.00 N ATOM 823 CA LEU A 53 -0.424 0.607 7.199 1.00 0.00 C ATOM 824 C LEU A 53 -1.280 -0.621 6.886 1.00 0.00 C ATOM 825 O LEU A 53 -0.846 -1.542 6.193 1.00 0.00 O ATOM 826 CB LEU A 53 0.290 0.477 8.558 1.00 0.00 C ATOM 827 CG LEU A 53 1.361 -0.618 8.681 1.00 0.00 C ATOM 828 CD1 LEU A 53 0.734 -1.965 8.999 1.00 0.00 C ATOM 829 CD2 LEU A 53 2.199 -0.705 7.411 1.00 0.00 C ATOM 0 H LEU A 53 -1.370 2.231 8.126 1.00 0.00 H new ATOM 0 HA LEU A 53 0.338 0.686 6.423 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.757 1.435 8.789 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.466 0.299 9.322 1.00 0.00 H new ATOM 0 HG LEU A 53 2.018 -0.347 9.507 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.516 -2.720 9.080 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.192 -1.901 9.943 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.043 -2.242 8.203 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.950 -1.487 7.523 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.554 -0.940 6.565 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.694 0.250 7.235 1.00 0.00 H new ATOM 841 N ASP A 54 -2.512 -0.604 7.376 1.00 0.00 N ATOM 842 CA ASP A 54 -3.466 -1.676 7.111 1.00 0.00 C ATOM 843 C ASP A 54 -3.793 -1.731 5.620 1.00 0.00 C ATOM 844 O ASP A 54 -3.967 -2.806 5.048 1.00 0.00 O ATOM 845 CB ASP A 54 -4.738 -1.450 7.932 1.00 0.00 C ATOM 846 CG ASP A 54 -5.788 -2.523 7.732 1.00 0.00 C ATOM 847 OD1 ASP A 54 -5.522 -3.694 8.078 1.00 0.00 O ATOM 848 OD2 ASP A 54 -6.901 -2.187 7.271 1.00 0.00 O ATOM 0 H ASP A 54 -2.878 0.145 7.963 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.025 -2.629 7.402 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -4.475 -1.404 8.989 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.164 -0.482 7.667 1.00 0.00 H new ATOM 853 N LEU A 55 -3.852 -0.557 4.999 1.00 0.00 N ATOM 854 CA LEU A 55 -4.086 -0.450 3.564 1.00 0.00 C ATOM 855 C LEU A 55 -2.931 -1.088 2.798 1.00 0.00 C ATOM 856 O LEU A 55 -3.142 -1.873 1.873 1.00 0.00 O ATOM 857 CB LEU A 55 -4.226 1.028 3.174 1.00 0.00 C ATOM 858 CG LEU A 55 -5.106 1.339 1.951 1.00 0.00 C ATOM 859 CD1 LEU A 55 -5.148 2.839 1.708 1.00 0.00 C ATOM 860 CD2 LEU A 55 -4.615 0.623 0.702 1.00 0.00 C ATOM 0 H LEU A 55 -3.740 0.340 5.472 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.007 -0.975 3.310 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.629 1.569 4.030 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.229 1.426 2.986 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.111 0.975 2.167 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.773 3.050 0.840 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.563 3.338 2.584 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.138 3.206 1.525 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.264 0.870 -0.138 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.596 0.939 0.478 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.632 -0.454 0.869 1.00 0.00 H new ATOM 872 N ALA A 56 -1.710 -0.748 3.196 1.00 0.00 N ATOM 873 CA ALA A 56 -0.515 -1.288 2.561 1.00 0.00 C ATOM 874 C ALA A 56 -0.513 -2.814 2.607 1.00 0.00 C ATOM 875 O ALA A 56 -0.187 -3.476 1.618 1.00 0.00 O ATOM 876 CB ALA A 56 0.737 -0.734 3.225 1.00 0.00 C ATOM 0 H ALA A 56 -1.522 -0.098 3.959 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.520 -0.981 1.515 1.00 0.00 H new ATOM 0 HB1 ALA A 56 1.620 -1.148 2.738 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.747 0.352 3.133 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.742 -1.009 4.280 1.00 0.00 H new ATOM 882 N ARG A 57 -0.886 -3.366 3.758 1.00 0.00 N ATOM 883 CA ARG A 57 -0.977 -4.810 3.917 1.00 0.00 C ATOM 884 C ARG A 57 -2.084 -5.375 3.041 1.00 0.00 C ATOM 885 O ARG A 57 -1.923 -6.431 2.433 1.00 0.00 O ATOM 886 CB ARG A 57 -1.227 -5.181 5.380 1.00 0.00 C ATOM 887 CG ARG A 57 -0.050 -4.880 6.293 1.00 0.00 C ATOM 888 CD ARG A 57 -0.331 -5.313 7.719 1.00 0.00 C ATOM 889 NE ARG A 57 0.867 -5.265 8.556 1.00 0.00 N ATOM 890 CZ ARG A 57 0.916 -5.694 9.817 1.00 0.00 C ATOM 891 NH1 ARG A 57 -0.174 -6.183 10.402 1.00 0.00 N ATOM 892 NH2 ARG A 57 2.052 -5.620 10.495 1.00 0.00 N ATOM 0 H ARG A 57 -1.130 -2.833 4.593 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.026 -5.243 3.606 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -2.102 -4.640 5.739 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -1.462 -6.244 5.442 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.839 -5.392 5.924 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.165 -3.812 6.271 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -1.098 -4.669 8.148 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -0.731 -6.327 7.717 1.00 0.00 H new ATOM 0 HE ARG A 57 1.719 -4.879 8.149 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -1.052 -6.231 9.885 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -0.132 -6.510 11.367 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.886 -5.235 10.052 1.00 0.00 H new ATOM 0 HH22 ARG A 57 2.092 -5.948 11.460 1.00 0.00 H new ATOM 906 N ALA A 58 -3.200 -4.656 2.961 1.00 0.00 N ATOM 907 CA ALA A 58 -4.332 -5.082 2.148 1.00 0.00 C ATOM 908 C ALA A 58 -3.930 -5.215 0.683 1.00 0.00 C ATOM 909 O ALA A 58 -4.363 -6.138 -0.007 1.00 0.00 O ATOM 910 CB ALA A 58 -5.492 -4.106 2.294 1.00 0.00 C ATOM 0 H ALA A 58 -3.344 -3.773 3.451 1.00 0.00 H new ATOM 0 HA ALA A 58 -4.654 -6.061 2.503 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.328 -4.440 1.680 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.803 -4.064 3.338 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.177 -3.115 1.969 1.00 0.00 H new ATOM 916 N ILE A 59 -3.086 -4.301 0.221 1.00 0.00 N ATOM 917 CA ILE A 59 -2.612 -4.328 -1.157 1.00 0.00 C ATOM 918 C ILE A 59 -1.817 -5.600 -1.434 1.00 0.00 C ATOM 919 O ILE A 59 -2.069 -6.297 -2.417 1.00 0.00 O ATOM 920 CB ILE A 59 -1.733 -3.097 -1.482 1.00 0.00 C ATOM 921 CG1 ILE A 59 -2.536 -1.810 -1.307 1.00 0.00 C ATOM 922 CG2 ILE A 59 -1.177 -3.189 -2.899 1.00 0.00 C ATOM 923 CD1 ILE A 59 -1.723 -0.552 -1.517 1.00 0.00 C ATOM 0 H ILE A 59 -2.716 -3.532 0.780 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.494 -4.305 -1.797 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.894 -3.082 -0.787 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.370 -1.814 -2.009 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.963 -1.793 -0.304 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.562 -2.313 -3.106 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.570 -4.089 -2.994 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.001 -3.230 -3.611 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -2.360 0.321 -1.376 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.905 -0.523 -0.798 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.317 -0.546 -2.529 1.00 0.00 H new ATOM 935 N ILE A 60 -0.868 -5.906 -0.555 1.00 0.00 N ATOM 936 CA ILE A 60 -0.033 -7.091 -0.712 1.00 0.00 C ATOM 937 C ILE A 60 -0.864 -8.359 -0.532 1.00 0.00 C ATOM 938 O ILE A 60 -0.703 -9.336 -1.263 1.00 0.00 O ATOM 939 CB ILE A 60 1.145 -7.096 0.289 1.00 0.00 C ATOM 940 CG1 ILE A 60 1.996 -5.839 0.097 1.00 0.00 C ATOM 941 CG2 ILE A 60 1.995 -8.344 0.105 1.00 0.00 C ATOM 942 CD1 ILE A 60 3.133 -5.712 1.088 1.00 0.00 C ATOM 0 H ILE A 60 -0.658 -5.349 0.274 1.00 0.00 H new ATOM 0 HA ILE A 60 0.377 -7.067 -1.721 1.00 0.00 H new ATOM 0 HB ILE A 60 0.745 -7.101 1.303 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.406 -5.840 -0.913 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.355 -4.962 0.180 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.820 -8.331 0.818 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.383 -9.230 0.275 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.393 -8.367 -0.910 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.690 -4.797 0.888 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.731 -5.678 2.101 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.798 -6.570 0.990 1.00 0.00 H new ATOM 954 N ARG A 61 -1.770 -8.312 0.431 1.00 0.00 N ATOM 955 CA ARG A 61 -2.607 -9.454 0.780 1.00 0.00 C ATOM 956 C ARG A 61 -3.496 -9.876 -0.390 1.00 0.00 C ATOM 957 O ARG A 61 -3.801 -11.059 -0.558 1.00 0.00 O ATOM 958 CB ARG A 61 -3.482 -9.092 1.982 1.00 0.00 C ATOM 959 CG ARG A 61 -4.034 -10.290 2.730 1.00 0.00 C ATOM 960 CD ARG A 61 -4.903 -9.855 3.898 1.00 0.00 C ATOM 961 NE ARG A 61 -5.278 -10.979 4.750 1.00 0.00 N ATOM 962 CZ ARG A 61 -5.563 -10.866 6.046 1.00 0.00 C ATOM 963 NH1 ARG A 61 -5.615 -9.671 6.621 1.00 0.00 N ATOM 964 NH2 ARG A 61 -5.832 -11.949 6.763 1.00 0.00 N ATOM 0 H ARG A 61 -1.948 -7.481 0.995 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.955 -10.292 1.027 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.898 -8.484 2.673 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.314 -8.476 1.640 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.618 -10.909 2.049 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.211 -10.905 3.095 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.368 -9.113 4.491 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.803 -9.371 3.519 1.00 0.00 H new ATOM 0 HE ARG A 61 -5.325 -11.906 4.328 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.436 -8.832 6.070 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.834 -9.592 7.614 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.821 -12.869 6.322 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -6.050 -11.862 7.756 1.00 0.00 H new ATOM 978 N ASP A 62 -3.902 -8.905 -1.198 1.00 0.00 N ATOM 979 CA ASP A 62 -4.865 -9.155 -2.267 1.00 0.00 C ATOM 980 C ASP A 62 -4.172 -9.423 -3.599 1.00 0.00 C ATOM 981 O ASP A 62 -4.814 -9.790 -4.580 1.00 0.00 O ATOM 982 CB ASP A 62 -5.815 -7.961 -2.397 1.00 0.00 C ATOM 983 CG ASP A 62 -7.014 -8.246 -3.280 1.00 0.00 C ATOM 984 OD1 ASP A 62 -7.891 -9.032 -2.859 1.00 0.00 O ATOM 985 OD2 ASP A 62 -7.099 -7.675 -4.388 1.00 0.00 O ATOM 0 H ASP A 62 -3.581 -7.939 -1.135 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.433 -10.048 -2.006 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.163 -7.672 -1.405 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.267 -7.111 -2.803 1.00 0.00 H new ATOM 990 N THR A 63 -2.861 -9.263 -3.631 1.00 0.00 N ATOM 991 CA THR A 63 -2.115 -9.419 -4.871 1.00 0.00 C ATOM 992 C THR A 63 -1.135 -10.587 -4.794 1.00 0.00 C ATOM 993 O THR A 63 -1.003 -11.239 -3.759 1.00 0.00 O ATOM 994 CB THR A 63 -1.342 -8.135 -5.228 1.00 0.00 C ATOM 995 OG1 THR A 63 -0.558 -7.707 -4.109 1.00 0.00 O ATOM 996 CG2 THR A 63 -2.292 -7.023 -5.646 1.00 0.00 C ATOM 0 H THR A 63 -2.292 -9.026 -2.818 1.00 0.00 H new ATOM 0 HA THR A 63 -2.849 -9.623 -5.651 1.00 0.00 H new ATOM 0 HB THR A 63 -0.684 -8.359 -6.068 1.00 0.00 H new ATOM 0 HG1 THR A 63 -1.145 -7.317 -3.428 1.00 0.00 H new ATOM 0 HG21 THR A 63 -1.719 -6.129 -5.892 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.862 -7.341 -6.519 1.00 0.00 H new ATOM 0 HG23 THR A 63 -2.976 -6.802 -4.827 1.00 0.00 H new ATOM 1004 N VAL A 64 -0.472 -10.857 -5.911 1.00 0.00 N ATOM 1005 CA VAL A 64 0.548 -11.892 -5.980 1.00 0.00 C ATOM 1006 C VAL A 64 1.884 -11.289 -6.412 1.00 0.00 C ATOM 1007 O VAL A 64 2.951 -11.742 -5.991 1.00 0.00 O ATOM 1008 CB VAL A 64 0.147 -13.012 -6.967 1.00 0.00 C ATOM 1009 CG1 VAL A 64 1.202 -14.108 -7.012 1.00 0.00 C ATOM 1010 CG2 VAL A 64 -1.211 -13.593 -6.600 1.00 0.00 C ATOM 0 H VAL A 64 -0.626 -10.366 -6.791 1.00 0.00 H new ATOM 0 HA VAL A 64 0.646 -12.326 -4.985 1.00 0.00 H new ATOM 0 HB VAL A 64 0.076 -12.571 -7.961 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.893 -14.882 -7.714 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.153 -13.684 -7.334 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.317 -14.544 -6.019 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.474 -14.379 -7.308 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -1.169 -14.010 -5.594 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.965 -12.807 -6.636 1.00 0.00 H new ATOM 1020 N GLU A 65 1.819 -10.256 -7.251 1.00 0.00 N ATOM 1021 CA GLU A 65 3.024 -9.603 -7.750 1.00 0.00 C ATOM 1022 C GLU A 65 3.784 -8.897 -6.627 1.00 0.00 C ATOM 1023 O GLU A 65 5.000 -8.722 -6.709 1.00 0.00 O ATOM 1024 CB GLU A 65 2.690 -8.619 -8.874 1.00 0.00 C ATOM 1025 CG GLU A 65 2.257 -9.300 -10.164 1.00 0.00 C ATOM 1026 CD GLU A 65 2.218 -8.345 -11.342 1.00 0.00 C ATOM 1027 OE1 GLU A 65 3.299 -8.007 -11.875 1.00 0.00 O ATOM 1028 OE2 GLU A 65 1.112 -7.930 -11.745 1.00 0.00 O ATOM 0 H GLU A 65 0.947 -9.856 -7.597 1.00 0.00 H new ATOM 0 HA GLU A 65 3.672 -10.380 -8.155 1.00 0.00 H new ATOM 0 HB2 GLU A 65 1.895 -7.952 -8.539 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.563 -7.998 -9.075 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.942 -10.118 -10.387 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.270 -9.740 -10.025 1.00 0.00 H new ATOM 1035 N PHE A 66 3.077 -8.509 -5.572 1.00 0.00 N ATOM 1036 CA PHE A 66 3.725 -7.910 -4.413 1.00 0.00 C ATOM 1037 C PHE A 66 4.331 -8.996 -3.535 1.00 0.00 C ATOM 1038 O PHE A 66 3.804 -9.337 -2.477 1.00 0.00 O ATOM 1039 CB PHE A 66 2.748 -7.041 -3.618 1.00 0.00 C ATOM 1040 CG PHE A 66 2.421 -5.737 -4.292 1.00 0.00 C ATOM 1041 CD1 PHE A 66 1.425 -5.662 -5.254 1.00 0.00 C ATOM 1042 CD2 PHE A 66 3.115 -4.584 -3.964 1.00 0.00 C ATOM 1043 CE1 PHE A 66 1.128 -4.464 -5.874 1.00 0.00 C ATOM 1044 CE2 PHE A 66 2.821 -3.381 -4.580 1.00 0.00 C ATOM 1045 CZ PHE A 66 1.827 -3.322 -5.537 1.00 0.00 C ATOM 0 H PHE A 66 2.064 -8.598 -5.496 1.00 0.00 H new ATOM 0 HA PHE A 66 4.526 -7.259 -4.764 1.00 0.00 H new ATOM 0 HB2 PHE A 66 1.826 -7.599 -3.457 1.00 0.00 H new ATOM 0 HB3 PHE A 66 3.173 -6.837 -2.635 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.874 -6.552 -5.522 1.00 0.00 H new ATOM 0 HD2 PHE A 66 3.895 -4.625 -3.218 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.350 -4.421 -6.622 1.00 0.00 H new ATOM 0 HE2 PHE A 66 3.368 -2.489 -4.313 1.00 0.00 H new ATOM 0 HZ PHE A 66 1.597 -2.384 -6.021 1.00 0.00 H new ATOM 1055 N SER A 67 5.430 -9.555 -4.021 1.00 0.00 N ATOM 1056 CA SER A 67 6.138 -10.627 -3.346 1.00 0.00 C ATOM 1057 C SER A 67 7.469 -10.858 -4.053 1.00 0.00 C ATOM 1058 O SER A 67 7.495 -11.308 -5.202 1.00 0.00 O ATOM 1059 CB SER A 67 5.301 -11.914 -3.353 1.00 0.00 C ATOM 1060 OG SER A 67 5.985 -12.987 -2.725 1.00 0.00 O ATOM 0 H SER A 67 5.857 -9.273 -4.903 1.00 0.00 H new ATOM 0 HA SER A 67 6.316 -10.348 -2.308 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.355 -11.736 -2.841 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.061 -12.187 -4.381 1.00 0.00 H new ATOM 0 HG SER A 67 5.423 -13.790 -2.746 1.00 0.00 H new