USER MOD reduce.3.24.130724 H: found=0, std=0, add=831, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 826 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 13 SER OG : rot -1:sc= 0.999 USER MOD Set 1.2: A 35 LYS NZ :NH3+ 148:sc= 1.29 (180deg=-0.317) USER MOD Set 2.1: A 3 THR OG1 : rot -171:sc= 2.04 USER MOD Set 2.2: A 9 TYR OH : rot 41:sc= 0.0859 USER MOD Set 2.3: A 28 CYS SG : rot 83:sc= 0.565 USER MOD Set 2.4: A 31 MET CE :methyl -129:sc= -1.63 (180deg=-4.25!) USER MOD Single : A 1 HIS : no HD1:sc= -0.126 X(o=-0.13,f=-0.0057) USER MOD Single : A 1 HIS N :NH3+ -178:sc= 0 (180deg=-0.00463) USER MOD Single : A 2 MET CE :methyl -162:sc= -0.172 (180deg=-0.773) USER MOD Single : A 5 CYS SG : rot -2:sc= 0.0529 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.268 USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 TYR OH : rot -140:sc= -0.136 USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=-0.0054) USER MOD Single : A 20 MET CE :methyl 160:sc= -2.05! (180deg=-3.61!) USER MOD Single : A 21 LYS NZ :NH3+ 142:sc= 0.689 (180deg=-2.38!) USER MOD Single : A 34 LYS NZ :NH3+ 160:sc= -0.393 (180deg=-1.9!) USER MOD Single : A 41 HIS :FLIP no HD1:sc= -2.41! C(o=-3.2!,f=-2.4!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -143:sc= 1.26 (180deg=0.953) USER MOD Single : A 68 SER OG : rot 140:sc= -2.49! USER MOD Single : A 69 THR OG1 : rot 175:sc= -0.551 USER MOD Single : A 71 MET CE :methyl 163:sc= -0.177 (180deg=-0.73) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.478 USER MOD Single : A 76 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00536) USER MOD Single : A 78 CYS SG : rot -28:sc= 0.175 USER MOD Single : A 79 TYR OH : rot -135:sc= 1.11 USER MOD Single : A 81 THR OG1 : rot -79:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 0.621 6.935 -12.431 1.00 0.00 N ATOM 2 CA HIS A 1 0.208 6.242 -11.222 1.00 0.00 C ATOM 3 C HIS A 1 0.972 6.770 -10.031 1.00 0.00 C ATOM 4 O HIS A 1 2.117 6.403 -9.816 1.00 0.00 O ATOM 5 CB HIS A 1 0.422 4.720 -11.335 1.00 0.00 C ATOM 6 CG HIS A 1 -0.362 4.058 -12.425 1.00 0.00 C ATOM 7 ND1 HIS A 1 0.143 3.790 -13.676 1.00 0.00 N ATOM 8 CD2 HIS A 1 -1.632 3.587 -12.427 1.00 0.00 C ATOM 9 CE1 HIS A 1 -0.805 3.183 -14.386 1.00 0.00 C ATOM 10 NE2 HIS A 1 -1.908 3.031 -13.673 1.00 0.00 N ATOM 0 H1 HIS A 1 0.065 6.587 -13.238 1.00 0.00 H new ATOM 0 H2 HIS A 1 0.463 7.957 -12.317 1.00 0.00 H new ATOM 0 H3 HIS A 1 1.631 6.758 -12.605 1.00 0.00 H new ATOM 0 HA HIS A 1 -0.858 6.427 -11.088 1.00 0.00 H new ATOM 0 HB2 HIS A 1 1.482 4.527 -11.500 1.00 0.00 H new ATOM 0 HB3 HIS A 1 0.158 4.258 -10.384 1.00 0.00 H new ATOM 0 HD2 HIS A 1 -2.320 3.635 -11.596 1.00 0.00 H new ATOM 0 HE1 HIS A 1 -0.689 2.858 -15.409 1.00 0.00 H new ATOM 0 HE2 HIS A 1 -2.780 2.596 -13.974 1.00 0.00 H new ATOM 18 N MET A 2 0.353 7.677 -9.305 1.00 0.00 N ATOM 19 CA MET A 2 0.880 8.264 -8.084 1.00 0.00 C ATOM 20 C MET A 2 -0.302 8.759 -7.278 1.00 0.00 C ATOM 21 O MET A 2 -1.116 9.526 -7.786 1.00 0.00 O ATOM 22 CB MET A 2 1.817 9.455 -8.333 1.00 0.00 C ATOM 23 CG MET A 2 3.146 9.163 -9.012 1.00 0.00 C ATOM 24 SD MET A 2 4.188 10.637 -9.152 1.00 0.00 S ATOM 25 CE MET A 2 3.111 11.729 -10.083 1.00 0.00 C ATOM 0 H MET A 2 -0.566 8.042 -9.556 1.00 0.00 H new ATOM 0 HA MET A 2 1.463 7.500 -7.570 1.00 0.00 H new ATOM 0 HB2 MET A 2 1.281 10.186 -8.939 1.00 0.00 H new ATOM 0 HB3 MET A 2 2.025 9.928 -7.373 1.00 0.00 H new ATOM 0 HG2 MET A 2 3.679 8.397 -8.448 1.00 0.00 H new ATOM 0 HG3 MET A 2 2.961 8.756 -10.006 1.00 0.00 H new ATOM 0 HE1 MET A 2 3.700 12.534 -10.522 1.00 0.00 H new ATOM 0 HE2 MET A 2 2.619 11.166 -10.876 1.00 0.00 H new ATOM 0 HE3 MET A 2 2.358 12.152 -9.418 1.00 0.00 H new ATOM 35 N THR A 3 -0.411 8.322 -6.073 1.00 0.00 N ATOM 36 CA THR A 3 -1.513 8.698 -5.219 1.00 0.00 C ATOM 37 C THR A 3 -1.061 9.762 -4.229 1.00 0.00 C ATOM 38 O THR A 3 -0.192 9.497 -3.386 1.00 0.00 O ATOM 39 CB THR A 3 -2.031 7.463 -4.448 1.00 0.00 C ATOM 40 OG1 THR A 3 -2.420 6.443 -5.382 1.00 0.00 O ATOM 41 CG2 THR A 3 -3.220 7.819 -3.582 1.00 0.00 C ATOM 0 H THR A 3 0.259 7.689 -5.637 1.00 0.00 H new ATOM 0 HA THR A 3 -2.317 9.098 -5.838 1.00 0.00 H new ATOM 0 HB THR A 3 -1.228 7.102 -3.806 1.00 0.00 H new ATOM 0 HG1 THR A 3 -2.879 5.721 -4.905 1.00 0.00 H new ATOM 0 HG21 THR A 3 -3.563 6.931 -3.052 1.00 0.00 H new ATOM 0 HG22 THR A 3 -2.929 8.583 -2.861 1.00 0.00 H new ATOM 0 HG23 THR A 3 -4.026 8.201 -4.209 1.00 0.00 H new ATOM 49 N PHE A 4 -1.596 10.969 -4.352 1.00 0.00 N ATOM 50 CA PHE A 4 -1.236 12.029 -3.418 1.00 0.00 C ATOM 51 C PHE A 4 -2.458 12.680 -2.809 1.00 0.00 C ATOM 52 O PHE A 4 -2.366 13.709 -2.135 1.00 0.00 O ATOM 53 CB PHE A 4 -0.309 13.079 -4.034 1.00 0.00 C ATOM 54 CG PHE A 4 0.996 12.500 -4.443 1.00 0.00 C ATOM 55 CD1 PHE A 4 1.852 11.995 -3.488 1.00 0.00 C ATOM 56 CD2 PHE A 4 1.345 12.402 -5.769 1.00 0.00 C ATOM 57 CE1 PHE A 4 3.030 11.408 -3.848 1.00 0.00 C ATOM 58 CE2 PHE A 4 2.520 11.804 -6.131 1.00 0.00 C ATOM 59 CZ PHE A 4 3.361 11.306 -5.168 1.00 0.00 C ATOM 0 H PHE A 4 -2.267 11.236 -5.073 1.00 0.00 H new ATOM 0 HA PHE A 4 -0.676 11.543 -2.619 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -0.794 13.527 -4.901 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.140 13.880 -3.314 1.00 0.00 H new ATOM 0 HD1 PHE A 4 1.587 12.065 -2.443 1.00 0.00 H new ATOM 0 HD2 PHE A 4 0.688 12.799 -6.528 1.00 0.00 H new ATOM 0 HE1 PHE A 4 3.698 11.025 -3.091 1.00 0.00 H new ATOM 0 HE2 PHE A 4 2.786 11.724 -7.175 1.00 0.00 H new ATOM 0 HZ PHE A 4 4.288 10.832 -5.456 1.00 0.00 H new ATOM 69 N CYS A 5 -3.579 12.064 -2.993 1.00 0.00 N ATOM 70 CA CYS A 5 -4.823 12.521 -2.425 1.00 0.00 C ATOM 71 C CYS A 5 -5.617 11.298 -1.959 1.00 0.00 C ATOM 72 O CYS A 5 -6.231 10.603 -2.780 1.00 0.00 O ATOM 73 CB CYS A 5 -5.603 13.344 -3.451 1.00 0.00 C ATOM 74 SG CYS A 5 -4.763 14.860 -3.962 1.00 0.00 S ATOM 0 H CYS A 5 -3.667 11.214 -3.550 1.00 0.00 H new ATOM 0 HA CYS A 5 -4.636 13.171 -1.570 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -5.789 12.728 -4.331 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -6.575 13.602 -3.032 1.00 0.00 H new ATOM 0 HG CYS A 5 -3.644 14.977 -3.311 1.00 0.00 H new ATOM 80 N LEU A 6 -5.624 11.036 -0.643 1.00 0.00 N ATOM 81 CA LEU A 6 -6.278 9.838 -0.143 1.00 0.00 C ATOM 82 C LEU A 6 -7.793 10.003 -0.111 1.00 0.00 C ATOM 83 O LEU A 6 -8.548 9.089 -0.429 1.00 0.00 O ATOM 84 CB LEU A 6 -5.717 9.346 1.250 1.00 0.00 C ATOM 85 CG LEU A 6 -6.203 9.947 2.611 1.00 0.00 C ATOM 86 CD1 LEU A 6 -6.126 11.452 2.686 1.00 0.00 C ATOM 87 CD2 LEU A 6 -7.582 9.417 3.026 1.00 0.00 C ATOM 0 H LEU A 6 -5.194 11.625 0.070 1.00 0.00 H new ATOM 0 HA LEU A 6 -6.037 9.047 -0.854 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -5.901 8.273 1.299 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.636 9.482 1.217 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.484 9.588 3.347 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.481 11.786 3.661 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.093 11.771 2.547 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -6.748 11.888 1.904 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.873 9.865 3.976 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -8.316 9.676 2.263 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.538 8.333 3.134 1.00 0.00 H new ATOM 99 N GLU A 7 -8.228 11.208 0.215 1.00 0.00 N ATOM 100 CA GLU A 7 -9.633 11.513 0.350 1.00 0.00 C ATOM 101 C GLU A 7 -10.294 11.518 -1.029 1.00 0.00 C ATOM 102 O GLU A 7 -11.477 11.234 -1.177 1.00 0.00 O ATOM 103 CB GLU A 7 -9.789 12.842 1.112 1.00 0.00 C ATOM 104 CG GLU A 7 -11.201 13.388 1.235 1.00 0.00 C ATOM 105 CD GLU A 7 -12.096 12.606 2.165 1.00 0.00 C ATOM 106 OE1 GLU A 7 -11.888 12.651 3.404 1.00 0.00 O ATOM 107 OE2 GLU A 7 -13.071 12.016 1.694 1.00 0.00 O ATOM 0 H GLU A 7 -7.612 12.001 0.393 1.00 0.00 H new ATOM 0 HA GLU A 7 -10.146 10.749 0.934 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.385 12.710 2.116 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -9.174 13.594 0.617 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -11.149 14.419 1.583 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -11.656 13.409 0.245 1.00 0.00 H new ATOM 114 N THR A 8 -9.505 11.778 -2.040 1.00 0.00 N ATOM 115 CA THR A 8 -9.997 11.753 -3.381 1.00 0.00 C ATOM 116 C THR A 8 -10.115 10.287 -3.851 1.00 0.00 C ATOM 117 O THR A 8 -10.945 9.954 -4.689 1.00 0.00 O ATOM 118 CB THR A 8 -9.079 12.555 -4.314 1.00 0.00 C ATOM 119 OG1 THR A 8 -8.855 13.847 -3.731 1.00 0.00 O ATOM 120 CG2 THR A 8 -9.723 12.744 -5.678 1.00 0.00 C ATOM 0 H THR A 8 -8.516 12.010 -1.952 1.00 0.00 H new ATOM 0 HA THR A 8 -10.982 12.219 -3.411 1.00 0.00 H new ATOM 0 HB THR A 8 -8.143 12.012 -4.440 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.268 14.372 -4.315 1.00 0.00 H new ATOM 0 HG21 THR A 8 -9.053 13.315 -6.321 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.915 11.770 -6.128 1.00 0.00 H new ATOM 0 HG23 THR A 8 -10.664 13.283 -5.565 1.00 0.00 H new ATOM 128 N TYR A 9 -9.333 9.399 -3.238 1.00 0.00 N ATOM 129 CA TYR A 9 -9.396 7.993 -3.577 1.00 0.00 C ATOM 130 C TYR A 9 -10.661 7.383 -3.035 1.00 0.00 C ATOM 131 O TYR A 9 -11.169 6.394 -3.570 1.00 0.00 O ATOM 132 CB TYR A 9 -8.171 7.234 -3.099 1.00 0.00 C ATOM 133 CG TYR A 9 -7.405 6.653 -4.242 1.00 0.00 C ATOM 134 CD1 TYR A 9 -6.456 7.402 -4.906 1.00 0.00 C ATOM 135 CD2 TYR A 9 -7.655 5.365 -4.684 1.00 0.00 C ATOM 136 CE1 TYR A 9 -5.768 6.889 -5.980 1.00 0.00 C ATOM 137 CE2 TYR A 9 -6.970 4.840 -5.751 1.00 0.00 C ATOM 138 CZ TYR A 9 -6.026 5.611 -6.397 1.00 0.00 C ATOM 139 OH TYR A 9 -5.348 5.097 -7.487 1.00 0.00 O ATOM 0 H TYR A 9 -8.657 9.633 -2.511 1.00 0.00 H new ATOM 0 HA TYR A 9 -9.408 7.914 -4.664 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -7.526 7.904 -2.531 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -8.477 6.436 -2.422 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -6.250 8.410 -4.576 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -8.400 4.765 -4.182 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.030 7.490 -6.491 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -7.168 3.831 -6.082 1.00 0.00 H new ATOM 0 HH TYR A 9 -4.409 5.374 -7.449 1.00 0.00 H new ATOM 149 N LEU A 10 -11.193 8.014 -1.992 1.00 0.00 N ATOM 150 CA LEU A 10 -12.442 7.603 -1.386 1.00 0.00 C ATOM 151 C LEU A 10 -13.522 7.736 -2.467 1.00 0.00 C ATOM 152 O LEU A 10 -14.319 6.827 -2.697 1.00 0.00 O ATOM 153 CB LEU A 10 -12.761 8.530 -0.171 1.00 0.00 C ATOM 154 CG LEU A 10 -13.836 8.050 0.840 1.00 0.00 C ATOM 155 CD1 LEU A 10 -13.783 8.894 2.091 1.00 0.00 C ATOM 156 CD2 LEU A 10 -15.240 8.128 0.257 1.00 0.00 C ATOM 0 H LEU A 10 -10.764 8.826 -1.547 1.00 0.00 H new ATOM 0 HA LEU A 10 -12.393 6.578 -1.019 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -11.834 8.694 0.378 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -13.076 9.498 -0.561 1.00 0.00 H new ATOM 0 HG LEU A 10 -13.616 7.008 1.073 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -14.541 8.550 2.795 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -12.797 8.806 2.548 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -13.972 9.936 1.835 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -15.961 7.783 0.998 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -15.464 9.159 -0.015 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -15.301 7.498 -0.630 1.00 0.00 H new ATOM 168 N GLN A 11 -13.451 8.845 -3.180 1.00 0.00 N ATOM 169 CA GLN A 11 -14.382 9.192 -4.237 1.00 0.00 C ATOM 170 C GLN A 11 -14.192 8.273 -5.424 1.00 0.00 C ATOM 171 O GLN A 11 -15.146 7.903 -6.094 1.00 0.00 O ATOM 172 CB GLN A 11 -14.105 10.610 -4.702 1.00 0.00 C ATOM 173 CG GLN A 11 -14.193 11.663 -3.629 1.00 0.00 C ATOM 174 CD GLN A 11 -13.737 13.007 -4.131 1.00 0.00 C ATOM 175 OE1 GLN A 11 -13.865 13.320 -5.319 1.00 0.00 O ATOM 176 NE2 GLN A 11 -13.199 13.801 -3.254 1.00 0.00 N ATOM 0 H GLN A 11 -12.725 9.547 -3.036 1.00 0.00 H new ATOM 0 HA GLN A 11 -15.397 9.098 -3.850 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -13.108 10.643 -5.141 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -14.811 10.861 -5.494 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -15.221 11.736 -3.274 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -13.582 11.366 -2.777 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -13.112 13.504 -2.282 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -12.864 14.722 -3.537 1.00 0.00 H new ATOM 185 N GLN A 12 -12.951 7.906 -5.667 1.00 0.00 N ATOM 186 CA GLN A 12 -12.615 7.080 -6.791 1.00 0.00 C ATOM 187 C GLN A 12 -13.041 5.649 -6.600 1.00 0.00 C ATOM 188 O GLN A 12 -13.452 4.995 -7.557 1.00 0.00 O ATOM 189 CB GLN A 12 -11.128 7.149 -7.139 1.00 0.00 C ATOM 190 CG GLN A 12 -10.681 8.491 -7.686 1.00 0.00 C ATOM 191 CD GLN A 12 -9.225 8.489 -8.086 1.00 0.00 C ATOM 192 OE1 GLN A 12 -8.344 8.821 -7.293 1.00 0.00 O ATOM 193 NE2 GLN A 12 -8.956 8.098 -9.308 1.00 0.00 N ATOM 0 H GLN A 12 -12.155 8.174 -5.089 1.00 0.00 H new ATOM 0 HA GLN A 12 -13.176 7.486 -7.632 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -10.546 6.921 -6.246 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -10.902 6.376 -7.873 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -11.293 8.751 -8.550 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -10.848 9.262 -6.934 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -9.714 7.831 -9.936 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -7.989 8.061 -9.630 1.00 0.00 H new ATOM 202 N SER A 13 -12.966 5.151 -5.384 1.00 0.00 N ATOM 203 CA SER A 13 -13.314 3.783 -5.159 1.00 0.00 C ATOM 204 C SER A 13 -13.587 3.547 -3.689 1.00 0.00 C ATOM 205 O SER A 13 -14.675 3.082 -3.299 1.00 0.00 O ATOM 206 CB SER A 13 -12.180 2.866 -5.673 1.00 0.00 C ATOM 207 OG SER A 13 -12.539 1.495 -5.636 1.00 0.00 O ATOM 0 H SER A 13 -12.672 5.669 -4.556 1.00 0.00 H new ATOM 0 HA SER A 13 -14.224 3.545 -5.709 1.00 0.00 H new ATOM 0 HB2 SER A 13 -11.925 3.145 -6.695 1.00 0.00 H new ATOM 0 HB3 SER A 13 -11.287 3.022 -5.068 1.00 0.00 H new ATOM 0 HG SER A 13 -13.443 1.403 -5.269 1.00 0.00 H new ATOM 213 N GLY A 14 -12.633 3.896 -2.888 1.00 0.00 N ATOM 214 CA GLY A 14 -12.717 3.699 -1.484 1.00 0.00 C ATOM 215 C GLY A 14 -11.387 3.966 -0.884 1.00 0.00 C ATOM 216 O GLY A 14 -10.421 4.188 -1.622 1.00 0.00 O ATOM 0 H GLY A 14 -11.764 4.331 -3.198 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -13.466 4.364 -1.054 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -13.033 2.679 -1.264 1.00 0.00 H new ATOM 220 N GLU A 15 -11.313 3.960 0.404 1.00 0.00 N ATOM 221 CA GLU A 15 -10.074 4.247 1.079 1.00 0.00 C ATOM 222 C GLU A 15 -9.132 3.047 1.065 1.00 0.00 C ATOM 223 O GLU A 15 -9.559 1.886 1.172 1.00 0.00 O ATOM 224 CB GLU A 15 -10.330 4.711 2.502 1.00 0.00 C ATOM 225 CG GLU A 15 -11.186 5.953 2.580 1.00 0.00 C ATOM 226 CD GLU A 15 -11.472 6.360 3.989 1.00 0.00 C ATOM 227 OE1 GLU A 15 -12.352 5.744 4.635 1.00 0.00 O ATOM 228 OE2 GLU A 15 -10.862 7.319 4.483 1.00 0.00 O ATOM 0 H GLU A 15 -12.098 3.759 1.023 1.00 0.00 H new ATOM 0 HA GLU A 15 -9.585 5.055 0.534 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.815 3.908 3.057 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.375 4.905 2.991 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -10.683 6.771 2.063 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -12.126 5.776 2.058 1.00 0.00 H new ATOM 235 N TYR A 16 -7.873 3.348 0.890 1.00 0.00 N ATOM 236 CA TYR A 16 -6.790 2.376 0.886 1.00 0.00 C ATOM 237 C TYR A 16 -5.632 2.979 1.682 1.00 0.00 C ATOM 238 O TYR A 16 -4.578 2.372 1.866 1.00 0.00 O ATOM 239 CB TYR A 16 -6.390 2.116 -0.584 1.00 0.00 C ATOM 240 CG TYR A 16 -5.233 1.160 -0.838 1.00 0.00 C ATOM 241 CD1 TYR A 16 -5.423 -0.212 -0.858 1.00 0.00 C ATOM 242 CD2 TYR A 16 -3.957 1.645 -1.091 1.00 0.00 C ATOM 243 CE1 TYR A 16 -4.373 -1.072 -1.120 1.00 0.00 C ATOM 244 CE2 TYR A 16 -2.907 0.794 -1.362 1.00 0.00 C ATOM 245 CZ TYR A 16 -3.116 -0.557 -1.376 1.00 0.00 C ATOM 246 OH TYR A 16 -2.076 -1.401 -1.670 1.00 0.00 O ATOM 0 H TYR A 16 -7.553 4.305 0.741 1.00 0.00 H new ATOM 0 HA TYR A 16 -7.078 1.428 1.340 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -7.265 1.732 -1.108 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -6.141 3.074 -1.040 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -6.406 -0.616 -0.666 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -3.783 2.711 -1.075 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.534 -2.140 -1.125 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -1.924 1.193 -1.562 1.00 0.00 H new ATOM 0 HH TYR A 16 -1.262 -1.083 -1.227 1.00 0.00 H new ATOM 256 N GLU A 17 -5.911 4.132 2.244 1.00 0.00 N ATOM 257 CA GLU A 17 -4.987 4.937 2.967 1.00 0.00 C ATOM 258 C GLU A 17 -5.828 5.666 3.999 1.00 0.00 C ATOM 259 O GLU A 17 -6.996 5.961 3.728 1.00 0.00 O ATOM 260 CB GLU A 17 -4.351 5.977 2.022 1.00 0.00 C ATOM 261 CG GLU A 17 -3.646 5.398 0.805 1.00 0.00 C ATOM 262 CD GLU A 17 -3.257 6.456 -0.200 1.00 0.00 C ATOM 263 OE1 GLU A 17 -4.138 7.233 -0.620 1.00 0.00 O ATOM 264 OE2 GLU A 17 -2.069 6.516 -0.594 1.00 0.00 O ATOM 0 H GLU A 17 -6.842 4.545 2.200 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.189 4.343 3.412 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.130 6.659 1.681 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.634 6.570 2.590 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.753 4.863 1.128 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.298 4.669 0.325 1.00 0.00 H new ATOM 271 N ILE A 18 -5.288 5.923 5.165 1.00 0.00 N ATOM 272 CA ILE A 18 -6.050 6.640 6.170 1.00 0.00 C ATOM 273 C ILE A 18 -5.911 8.152 5.939 1.00 0.00 C ATOM 274 O ILE A 18 -5.038 8.563 5.185 1.00 0.00 O ATOM 275 CB ILE A 18 -5.688 6.212 7.643 1.00 0.00 C ATOM 276 CG1 ILE A 18 -6.732 6.732 8.656 1.00 0.00 C ATOM 277 CG2 ILE A 18 -4.294 6.672 8.032 1.00 0.00 C ATOM 278 CD1 ILE A 18 -6.514 6.262 10.078 1.00 0.00 C ATOM 0 H ILE A 18 -4.344 5.655 5.443 1.00 0.00 H new ATOM 0 HA ILE A 18 -7.100 6.369 6.056 1.00 0.00 H new ATOM 0 HB ILE A 18 -5.703 5.122 7.670 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.723 7.822 8.641 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -7.724 6.417 8.331 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.079 6.359 9.054 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.563 6.229 7.356 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -4.238 7.759 7.966 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -7.292 6.674 10.721 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.555 5.173 10.112 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.538 6.600 10.427 1.00 0.00 H new ATOM 290 N HIS A 19 -6.791 8.968 6.532 1.00 0.00 N ATOM 291 CA HIS A 19 -6.749 10.418 6.394 1.00 0.00 C ATOM 292 C HIS A 19 -5.528 10.984 7.099 1.00 0.00 C ATOM 293 O HIS A 19 -5.566 11.419 8.253 1.00 0.00 O ATOM 294 CB HIS A 19 -8.045 11.097 6.879 1.00 0.00 C ATOM 295 CG HIS A 19 -8.045 12.592 6.681 1.00 0.00 C ATOM 296 ND1 HIS A 19 -7.765 13.499 7.681 1.00 0.00 N ATOM 297 CD2 HIS A 19 -8.258 13.323 5.564 1.00 0.00 C ATOM 298 CE1 HIS A 19 -7.805 14.719 7.160 1.00 0.00 C ATOM 299 NE2 HIS A 19 -8.102 14.672 5.869 1.00 0.00 N ATOM 0 H HIS A 19 -7.553 8.634 7.122 1.00 0.00 H new ATOM 0 HA HIS A 19 -6.669 10.640 5.330 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -8.893 10.667 6.347 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -8.188 10.878 7.937 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -8.509 12.925 4.592 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -7.620 15.628 7.713 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -8.197 15.462 5.231 1.00 0.00 H new ATOM 307 N MET A 20 -4.469 10.814 6.433 1.00 0.00 N ATOM 308 CA MET A 20 -3.152 11.260 6.777 1.00 0.00 C ATOM 309 C MET A 20 -2.454 11.606 5.457 1.00 0.00 C ATOM 310 O MET A 20 -3.097 11.522 4.395 1.00 0.00 O ATOM 311 CB MET A 20 -2.420 10.135 7.531 1.00 0.00 C ATOM 312 CG MET A 20 -2.774 9.932 9.023 1.00 0.00 C ATOM 313 SD MET A 20 -2.036 11.127 10.198 1.00 0.00 S ATOM 314 CE MET A 20 -2.829 12.685 9.794 1.00 0.00 C ATOM 0 H MET A 20 -4.480 10.314 5.544 1.00 0.00 H new ATOM 0 HA MET A 20 -3.164 12.132 7.430 1.00 0.00 H new ATOM 0 HB2 MET A 20 -2.613 9.198 7.008 1.00 0.00 H new ATOM 0 HB3 MET A 20 -1.349 10.324 7.461 1.00 0.00 H new ATOM 0 HG2 MET A 20 -3.858 9.974 9.127 1.00 0.00 H new ATOM 0 HG3 MET A 20 -2.465 8.928 9.315 1.00 0.00 H new ATOM 0 HE1 MET A 20 -2.736 13.370 10.637 1.00 0.00 H new ATOM 0 HE2 MET A 20 -2.349 13.121 8.918 1.00 0.00 H new ATOM 0 HE3 MET A 20 -3.884 12.512 9.581 1.00 0.00 H new ATOM 324 N LYS A 21 -1.179 11.941 5.473 1.00 0.00 N ATOM 325 CA LYS A 21 -0.508 12.329 4.243 1.00 0.00 C ATOM 326 C LYS A 21 0.062 11.129 3.543 1.00 0.00 C ATOM 327 O LYS A 21 0.957 10.455 4.038 1.00 0.00 O ATOM 328 CB LYS A 21 0.516 13.454 4.447 1.00 0.00 C ATOM 329 CG LYS A 21 -0.145 14.742 4.934 1.00 0.00 C ATOM 330 CD LYS A 21 0.759 15.985 4.897 1.00 0.00 C ATOM 331 CE LYS A 21 1.907 15.989 5.914 1.00 0.00 C ATOM 332 NZ LYS A 21 2.989 15.042 5.602 1.00 0.00 N ATOM 0 H LYS A 21 -0.593 11.954 6.308 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.262 12.758 3.583 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.267 13.135 5.170 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.037 13.645 3.509 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.028 14.934 4.324 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.491 14.592 5.957 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.181 16.078 3.896 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.142 16.868 5.066 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.324 16.994 5.971 1.00 0.00 H new ATOM 0 HE3 LYS A 21 1.506 15.754 6.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.906 15.470 5.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.858 14.171 6.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.969 14.814 4.587 1.00 0.00 H new ATOM 346 N ARG A 22 -0.478 10.870 2.398 1.00 0.00 N ATOM 347 CA ARG A 22 -0.150 9.733 1.614 1.00 0.00 C ATOM 348 C ARG A 22 0.765 10.111 0.453 1.00 0.00 C ATOM 349 O ARG A 22 0.762 11.258 -0.005 1.00 0.00 O ATOM 350 CB ARG A 22 -1.486 9.119 1.123 1.00 0.00 C ATOM 351 CG ARG A 22 -2.196 9.805 -0.066 1.00 0.00 C ATOM 352 CD ARG A 22 -2.322 11.324 0.045 1.00 0.00 C ATOM 353 NE ARG A 22 -2.954 11.846 1.267 1.00 0.00 N ATOM 354 CZ ARG A 22 -3.108 13.180 1.509 1.00 0.00 C ATOM 355 NH1 ARG A 22 -2.794 14.073 0.571 1.00 0.00 N ATOM 356 NH2 ARG A 22 -3.576 13.605 2.671 1.00 0.00 N ATOM 0 H ARG A 22 -1.185 11.468 1.970 1.00 0.00 H new ATOM 0 HA ARG A 22 0.403 9.001 2.203 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -1.297 8.081 0.848 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -2.178 9.105 1.965 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.653 9.567 -0.980 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -3.194 9.379 -0.168 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.324 11.755 -0.033 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.892 11.682 -0.813 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.292 11.182 1.963 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -2.437 13.760 -0.332 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -2.911 15.069 0.756 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.826 12.933 3.397 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.687 14.605 2.841 1.00 0.00 H new ATOM 370 N ALA A 23 1.552 9.170 0.025 1.00 0.00 N ATOM 371 CA ALA A 23 2.436 9.336 -1.092 1.00 0.00 C ATOM 372 C ALA A 23 2.601 7.973 -1.750 1.00 0.00 C ATOM 373 O ALA A 23 3.600 7.280 -1.560 1.00 0.00 O ATOM 374 CB ALA A 23 3.784 9.915 -0.656 1.00 0.00 C ATOM 0 H ALA A 23 1.599 8.245 0.451 1.00 0.00 H new ATOM 0 HA ALA A 23 2.017 10.048 -1.803 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.430 10.028 -1.527 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.629 10.888 -0.191 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.255 9.242 0.060 1.00 0.00 H new ATOM 380 N GLY A 24 1.620 7.585 -2.499 1.00 0.00 N ATOM 381 CA GLY A 24 1.615 6.275 -3.095 1.00 0.00 C ATOM 382 C GLY A 24 2.087 6.249 -4.511 1.00 0.00 C ATOM 383 O GLY A 24 1.280 6.202 -5.412 1.00 0.00 O ATOM 0 H GLY A 24 0.804 8.156 -2.718 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.246 5.614 -2.500 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.603 5.872 -3.053 1.00 0.00 H new ATOM 387 N PHE A 25 3.389 6.222 -4.715 1.00 0.00 N ATOM 388 CA PHE A 25 3.935 6.246 -6.068 1.00 0.00 C ATOM 389 C PHE A 25 3.666 4.936 -6.808 1.00 0.00 C ATOM 390 O PHE A 25 2.683 4.799 -7.507 1.00 0.00 O ATOM 391 CB PHE A 25 5.450 6.536 -6.072 1.00 0.00 C ATOM 392 CG PHE A 25 5.873 7.873 -5.526 1.00 0.00 C ATOM 393 CD1 PHE A 25 5.915 8.107 -4.160 1.00 0.00 C ATOM 394 CD2 PHE A 25 6.261 8.886 -6.384 1.00 0.00 C ATOM 395 CE1 PHE A 25 6.334 9.323 -3.666 1.00 0.00 C ATOM 396 CE2 PHE A 25 6.678 10.105 -5.893 1.00 0.00 C ATOM 397 CZ PHE A 25 6.715 10.323 -4.532 1.00 0.00 C ATOM 0 H PHE A 25 4.087 6.184 -3.973 1.00 0.00 H new ATOM 0 HA PHE A 25 3.424 7.056 -6.589 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.949 5.757 -5.495 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.811 6.455 -7.097 1.00 0.00 H new ATOM 0 HD1 PHE A 25 5.616 7.327 -3.475 1.00 0.00 H new ATOM 0 HD2 PHE A 25 6.237 8.720 -7.451 1.00 0.00 H new ATOM 0 HE1 PHE A 25 6.364 9.492 -2.600 1.00 0.00 H new ATOM 0 HE2 PHE A 25 6.975 10.889 -6.574 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.042 11.277 -4.146 1.00 0.00 H new ATOM 407 N ARG A 26 4.494 3.958 -6.568 1.00 0.00 N ATOM 408 CA ARG A 26 4.390 2.686 -7.262 1.00 0.00 C ATOM 409 C ARG A 26 3.189 1.877 -6.854 1.00 0.00 C ATOM 410 O ARG A 26 2.544 1.268 -7.705 1.00 0.00 O ATOM 411 CB ARG A 26 5.642 1.890 -7.074 1.00 0.00 C ATOM 412 CG ARG A 26 6.869 2.440 -7.770 1.00 0.00 C ATOM 413 CD ARG A 26 6.889 2.107 -9.263 1.00 0.00 C ATOM 414 NE ARG A 26 5.838 2.789 -10.033 1.00 0.00 N ATOM 415 CZ ARG A 26 5.172 2.260 -11.070 1.00 0.00 C ATOM 416 NH1 ARG A 26 5.285 0.960 -11.356 1.00 0.00 N ATOM 417 NH2 ARG A 26 4.366 3.028 -11.803 1.00 0.00 N ATOM 0 H ARG A 26 5.257 4.010 -5.893 1.00 0.00 H new ATOM 0 HA ARG A 26 4.257 2.921 -8.318 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.851 1.819 -6.007 1.00 0.00 H new ATOM 0 HB3 ARG A 26 5.465 0.876 -7.432 1.00 0.00 H new ATOM 0 HG2 ARG A 26 6.903 3.522 -7.641 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.764 2.035 -7.298 1.00 0.00 H new ATOM 0 HD2 ARG A 26 7.862 2.377 -9.674 1.00 0.00 H new ATOM 0 HD3 ARG A 26 6.778 1.030 -9.388 1.00 0.00 H new ATOM 0 HE ARG A 26 5.596 3.740 -9.756 1.00 0.00 H new ATOM 0 HH11 ARG A 26 5.881 0.362 -10.784 1.00 0.00 H new ATOM 0 HH12 ARG A 26 4.775 0.566 -12.146 1.00 0.00 H new ATOM 0 HH21 ARG A 26 4.257 4.016 -11.575 1.00 0.00 H new ATOM 0 HH22 ARG A 26 3.859 2.628 -12.592 1.00 0.00 H new ATOM 431 N GLU A 27 2.818 1.917 -5.569 1.00 0.00 N ATOM 432 CA GLU A 27 1.693 1.109 -5.139 1.00 0.00 C ATOM 433 C GLU A 27 0.396 1.682 -5.744 1.00 0.00 C ATOM 434 O GLU A 27 -0.641 1.047 -5.702 1.00 0.00 O ATOM 435 CB GLU A 27 1.614 1.038 -3.624 1.00 0.00 C ATOM 436 CG GLU A 27 0.673 -0.021 -3.043 1.00 0.00 C ATOM 437 CD GLU A 27 1.161 -1.417 -3.111 1.00 0.00 C ATOM 438 OE1 GLU A 27 1.715 -1.839 -4.135 1.00 0.00 O ATOM 439 OE2 GLU A 27 0.867 -2.178 -2.167 1.00 0.00 O ATOM 0 H GLU A 27 3.264 2.478 -4.843 1.00 0.00 H new ATOM 0 HA GLU A 27 1.829 0.088 -5.496 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.616 0.854 -3.237 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.303 2.014 -3.251 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.477 0.226 -2.000 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.280 0.038 -3.569 1.00 0.00 H new ATOM 446 N CYS A 28 0.462 2.920 -6.310 1.00 0.00 N ATOM 447 CA CYS A 28 -0.697 3.487 -6.980 1.00 0.00 C ATOM 448 C CYS A 28 -1.111 2.592 -8.167 1.00 0.00 C ATOM 449 O CYS A 28 -2.289 2.435 -8.463 1.00 0.00 O ATOM 450 CB CYS A 28 -0.424 4.881 -7.497 1.00 0.00 C ATOM 451 SG CYS A 28 -1.881 5.720 -8.163 1.00 0.00 S ATOM 0 H CYS A 28 1.291 3.514 -6.306 1.00 0.00 H new ATOM 0 HA CYS A 28 -1.500 3.541 -6.244 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -0.010 5.482 -6.688 1.00 0.00 H new ATOM 0 HB3 CYS A 28 0.337 4.826 -8.275 1.00 0.00 H new ATOM 0 HG CYS A 28 -2.556 6.255 -7.190 1.00 0.00 H new ATOM 457 N ALA A 29 -0.120 1.983 -8.815 1.00 0.00 N ATOM 458 CA ALA A 29 -0.367 1.100 -9.930 1.00 0.00 C ATOM 459 C ALA A 29 -1.003 -0.164 -9.433 1.00 0.00 C ATOM 460 O ALA A 29 -1.965 -0.679 -10.011 1.00 0.00 O ATOM 461 CB ALA A 29 0.922 0.810 -10.671 1.00 0.00 C ATOM 0 H ALA A 29 0.866 2.093 -8.577 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.049 1.582 -10.631 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.718 0.143 -11.509 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.345 1.743 -11.045 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.632 0.335 -9.994 1.00 0.00 H new ATOM 467 N ALA A 30 -0.487 -0.620 -8.333 1.00 0.00 N ATOM 468 CA ALA A 30 -0.947 -1.797 -7.676 1.00 0.00 C ATOM 469 C ALA A 30 -2.355 -1.677 -7.172 1.00 0.00 C ATOM 470 O ALA A 30 -3.154 -2.575 -7.374 1.00 0.00 O ATOM 471 CB ALA A 30 -0.089 -2.035 -6.518 1.00 0.00 C ATOM 0 H ALA A 30 0.291 -0.166 -7.855 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.916 -2.608 -8.404 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.422 -2.933 -5.997 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.941 -2.168 -6.849 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.145 -1.182 -5.842 1.00 0.00 H new ATOM 477 N MET A 31 -2.647 -0.572 -6.493 1.00 0.00 N ATOM 478 CA MET A 31 -3.955 -0.348 -5.886 1.00 0.00 C ATOM 479 C MET A 31 -5.080 -0.448 -6.894 1.00 0.00 C ATOM 480 O MET A 31 -6.157 -0.929 -6.564 1.00 0.00 O ATOM 481 CB MET A 31 -4.023 0.955 -5.050 1.00 0.00 C ATOM 482 CG MET A 31 -3.818 2.234 -5.825 1.00 0.00 C ATOM 483 SD MET A 31 -3.767 3.720 -4.783 1.00 0.00 S ATOM 484 CE MET A 31 -2.373 3.393 -3.695 1.00 0.00 C ATOM 0 H MET A 31 -1.986 0.191 -6.348 1.00 0.00 H new ATOM 0 HA MET A 31 -4.098 -1.162 -5.175 1.00 0.00 H new ATOM 0 HB2 MET A 31 -4.995 1.000 -4.558 1.00 0.00 H new ATOM 0 HB3 MET A 31 -3.270 0.902 -4.264 1.00 0.00 H new ATOM 0 HG2 MET A 31 -2.886 2.163 -6.386 1.00 0.00 H new ATOM 0 HG3 MET A 31 -4.622 2.340 -6.554 1.00 0.00 H new ATOM 0 HE1 MET A 31 -2.676 3.546 -2.659 1.00 0.00 H new ATOM 0 HE2 MET A 31 -2.041 2.363 -3.828 1.00 0.00 H new ATOM 0 HE3 MET A 31 -1.555 4.072 -3.937 1.00 0.00 H new ATOM 494 N ILE A 32 -4.803 -0.074 -8.134 1.00 0.00 N ATOM 495 CA ILE A 32 -5.786 -0.166 -9.207 1.00 0.00 C ATOM 496 C ILE A 32 -6.221 -1.633 -9.366 1.00 0.00 C ATOM 497 O ILE A 32 -7.410 -1.960 -9.446 1.00 0.00 O ATOM 498 CB ILE A 32 -5.181 0.341 -10.549 1.00 0.00 C ATOM 499 CG1 ILE A 32 -4.734 1.810 -10.435 1.00 0.00 C ATOM 500 CG2 ILE A 32 -6.160 0.165 -11.708 1.00 0.00 C ATOM 501 CD1 ILE A 32 -5.830 2.774 -10.038 1.00 0.00 C ATOM 0 H ILE A 32 -3.899 0.299 -8.425 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.645 0.456 -8.954 1.00 0.00 H new ATOM 0 HB ILE A 32 -4.302 -0.269 -10.760 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -3.929 1.875 -9.703 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.321 2.125 -11.393 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -5.704 0.530 -12.628 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -6.407 -0.891 -11.819 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -7.069 0.731 -11.505 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -5.424 3.784 -9.983 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -6.628 2.744 -10.780 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -6.230 2.490 -9.065 1.00 0.00 H new ATOM 513 N GLU A 33 -5.252 -2.496 -9.310 1.00 0.00 N ATOM 514 CA GLU A 33 -5.459 -3.909 -9.481 1.00 0.00 C ATOM 515 C GLU A 33 -5.939 -4.543 -8.175 1.00 0.00 C ATOM 516 O GLU A 33 -6.771 -5.437 -8.179 1.00 0.00 O ATOM 517 CB GLU A 33 -4.159 -4.539 -9.944 1.00 0.00 C ATOM 518 CG GLU A 33 -3.609 -3.907 -11.207 1.00 0.00 C ATOM 519 CD GLU A 33 -4.468 -4.161 -12.425 1.00 0.00 C ATOM 520 OE1 GLU A 33 -5.592 -3.649 -12.507 1.00 0.00 O ATOM 521 OE2 GLU A 33 -4.017 -4.881 -13.346 1.00 0.00 O ATOM 0 H GLU A 33 -4.280 -2.238 -9.142 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.231 -4.080 -10.231 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.418 -4.454 -9.150 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.319 -5.603 -10.117 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.514 -2.832 -11.056 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.606 -4.293 -11.391 1.00 0.00 H new ATOM 528 N LYS A 34 -5.450 -4.022 -7.055 1.00 0.00 N ATOM 529 CA LYS A 34 -5.796 -4.506 -5.712 1.00 0.00 C ATOM 530 C LYS A 34 -7.257 -4.263 -5.381 1.00 0.00 C ATOM 531 O LYS A 34 -7.795 -4.828 -4.439 1.00 0.00 O ATOM 532 CB LYS A 34 -4.833 -3.913 -4.676 1.00 0.00 C ATOM 533 CG LYS A 34 -3.474 -4.623 -4.725 1.00 0.00 C ATOM 534 CD LYS A 34 -2.288 -3.820 -4.204 1.00 0.00 C ATOM 535 CE LYS A 34 -1.016 -4.669 -4.374 1.00 0.00 C ATOM 536 NZ LYS A 34 0.229 -4.064 -3.858 1.00 0.00 N ATOM 0 H LYS A 34 -4.793 -3.242 -7.048 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.673 -5.589 -5.686 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.699 -2.848 -4.866 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.262 -4.008 -3.678 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.546 -5.545 -4.148 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.271 -4.908 -5.757 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -2.194 -2.882 -4.752 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.435 -3.563 -3.155 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.169 -5.625 -3.873 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.883 -4.883 -5.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.939 -4.808 -3.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.592 -3.375 -4.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.033 -3.582 -2.958 1.00 0.00 H new ATOM 550 N LYS A 35 -7.887 -3.447 -6.202 1.00 0.00 N ATOM 551 CA LYS A 35 -9.289 -3.152 -6.095 1.00 0.00 C ATOM 552 C LYS A 35 -10.117 -4.386 -6.514 1.00 0.00 C ATOM 553 O LYS A 35 -11.253 -4.559 -6.092 1.00 0.00 O ATOM 554 CB LYS A 35 -9.611 -1.964 -7.005 1.00 0.00 C ATOM 555 CG LYS A 35 -11.084 -1.701 -7.192 1.00 0.00 C ATOM 556 CD LYS A 35 -11.325 -0.568 -8.151 1.00 0.00 C ATOM 557 CE LYS A 35 -12.791 -0.459 -8.493 1.00 0.00 C ATOM 558 NZ LYS A 35 -13.622 -0.336 -7.292 1.00 0.00 N ATOM 0 H LYS A 35 -7.425 -2.965 -6.973 1.00 0.00 H new ATOM 0 HA LYS A 35 -9.540 -2.902 -5.064 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -9.145 -1.069 -6.592 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -9.159 -2.138 -7.982 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -11.571 -2.603 -7.563 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -11.538 -1.467 -6.229 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.979 0.367 -7.711 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -10.745 -0.726 -9.061 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -12.951 0.407 -9.136 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -13.099 -1.338 -9.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -14.456 0.247 -7.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -13.929 -1.281 -6.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -13.071 0.113 -6.533 1.00 0.00 H new ATOM 572 N ALA A 36 -9.527 -5.240 -7.335 1.00 0.00 N ATOM 573 CA ALA A 36 -10.206 -6.425 -7.825 1.00 0.00 C ATOM 574 C ALA A 36 -10.474 -7.403 -6.686 1.00 0.00 C ATOM 575 O ALA A 36 -11.615 -7.832 -6.466 1.00 0.00 O ATOM 576 CB ALA A 36 -9.381 -7.086 -8.909 1.00 0.00 C ATOM 0 H ALA A 36 -8.572 -5.132 -7.677 1.00 0.00 H new ATOM 0 HA ALA A 36 -11.165 -6.126 -8.247 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -9.899 -7.974 -9.270 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.239 -6.388 -9.734 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -8.410 -7.372 -8.504 1.00 0.00 H new ATOM 582 N ARG A 37 -9.427 -7.731 -5.966 1.00 0.00 N ATOM 583 CA ARG A 37 -9.492 -8.620 -4.824 1.00 0.00 C ATOM 584 C ARG A 37 -8.204 -8.514 -4.066 1.00 0.00 C ATOM 585 O ARG A 37 -8.158 -7.970 -2.974 1.00 0.00 O ATOM 586 CB ARG A 37 -9.700 -10.084 -5.239 1.00 0.00 C ATOM 587 CG ARG A 37 -9.743 -11.052 -4.059 1.00 0.00 C ATOM 588 CD ARG A 37 -9.875 -12.493 -4.504 1.00 0.00 C ATOM 589 NE ARG A 37 -11.162 -12.771 -5.141 1.00 0.00 N ATOM 590 CZ ARG A 37 -11.522 -13.958 -5.648 1.00 0.00 C ATOM 591 NH1 ARG A 37 -10.657 -14.970 -5.673 1.00 0.00 N ATOM 592 NH2 ARG A 37 -12.738 -14.121 -6.142 1.00 0.00 N ATOM 0 H ARG A 37 -8.488 -7.383 -6.159 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.344 -8.322 -4.212 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -10.631 -10.166 -5.800 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -8.896 -10.380 -5.912 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -8.836 -10.939 -3.466 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -10.582 -10.795 -3.412 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -9.071 -12.729 -5.201 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -9.752 -13.148 -3.642 1.00 0.00 H new ATOM 0 HE ARG A 37 -11.834 -12.006 -5.204 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -9.714 -14.844 -5.305 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -10.937 -15.871 -6.060 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -13.399 -13.344 -6.136 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -13.015 -15.023 -6.529 1.00 0.00 H new ATOM 606 N ARG A 38 -7.161 -9.022 -4.664 1.00 0.00 N ATOM 607 CA ARG A 38 -5.859 -9.015 -4.087 1.00 0.00 C ATOM 608 C ARG A 38 -4.878 -9.260 -5.195 1.00 0.00 C ATOM 609 O ARG A 38 -5.024 -10.237 -5.930 1.00 0.00 O ATOM 610 CB ARG A 38 -5.727 -10.093 -2.995 1.00 0.00 C ATOM 611 CG ARG A 38 -4.354 -10.160 -2.335 1.00 0.00 C ATOM 612 CD ARG A 38 -4.323 -11.180 -1.202 1.00 0.00 C ATOM 613 NE ARG A 38 -4.632 -12.531 -1.663 1.00 0.00 N ATOM 614 CZ ARG A 38 -5.024 -13.548 -0.885 1.00 0.00 C ATOM 615 NH1 ARG A 38 -5.112 -13.397 0.442 1.00 0.00 N ATOM 616 NH2 ARG A 38 -5.297 -14.724 -1.433 1.00 0.00 N ATOM 0 H ARG A 38 -7.201 -9.460 -5.585 1.00 0.00 H new ATOM 0 HA ARG A 38 -5.666 -8.056 -3.607 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -6.477 -9.907 -2.226 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.954 -11.065 -3.433 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -3.604 -10.422 -3.081 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.088 -9.177 -1.947 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -3.337 -11.174 -0.738 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -5.039 -10.888 -0.434 1.00 0.00 H new ATOM 0 HE ARG A 38 -4.542 -12.715 -2.662 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -4.879 -12.501 0.870 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -5.412 -14.178 1.025 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -5.208 -14.850 -2.441 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -5.596 -15.503 -0.846 1.00 0.00 H new ATOM 630 N VAL A 39 -3.941 -8.359 -5.360 1.00 0.00 N ATOM 631 CA VAL A 39 -2.947 -8.461 -6.420 1.00 0.00 C ATOM 632 C VAL A 39 -1.558 -8.152 -5.836 1.00 0.00 C ATOM 633 O VAL A 39 -1.460 -7.565 -4.741 1.00 0.00 O ATOM 634 CB VAL A 39 -3.308 -7.479 -7.610 1.00 0.00 C ATOM 635 CG1 VAL A 39 -2.266 -7.495 -8.729 1.00 0.00 C ATOM 636 CG2 VAL A 39 -4.668 -7.836 -8.197 1.00 0.00 C ATOM 0 H VAL A 39 -3.839 -7.534 -4.769 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.939 -9.473 -6.825 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.327 -6.475 -7.185 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.567 -6.803 -9.516 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.298 -7.192 -8.329 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.189 -8.502 -9.140 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.903 -7.153 -9.013 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.644 -8.858 -8.575 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.431 -7.753 -7.423 1.00 0.00 H new ATOM 646 N VAL A 40 -0.518 -8.583 -6.522 1.00 0.00 N ATOM 647 CA VAL A 40 0.852 -8.339 -6.131 1.00 0.00 C ATOM 648 C VAL A 40 1.468 -7.274 -7.050 1.00 0.00 C ATOM 649 O VAL A 40 1.137 -7.205 -8.232 1.00 0.00 O ATOM 650 CB VAL A 40 1.694 -9.668 -6.163 1.00 0.00 C ATOM 651 CG1 VAL A 40 1.647 -10.329 -7.534 1.00 0.00 C ATOM 652 CG2 VAL A 40 3.142 -9.434 -5.734 1.00 0.00 C ATOM 0 H VAL A 40 -0.606 -9.123 -7.383 1.00 0.00 H new ATOM 0 HA VAL A 40 0.865 -7.970 -5.105 1.00 0.00 H new ATOM 0 HB VAL A 40 1.235 -10.345 -5.443 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.240 -11.244 -7.517 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.614 -10.570 -7.786 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.053 -9.647 -8.281 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.689 -10.376 -5.770 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.610 -8.717 -6.408 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.161 -9.042 -4.717 1.00 0.00 H new ATOM 662 N HIS A 41 2.312 -6.428 -6.494 1.00 0.00 N ATOM 663 CA HIS A 41 2.982 -5.419 -7.265 1.00 0.00 C ATOM 664 C HIS A 41 4.415 -5.418 -6.854 1.00 0.00 C ATOM 665 O HIS A 41 4.732 -5.310 -5.658 1.00 0.00 O ATOM 666 CB HIS A 41 2.350 -4.038 -7.053 1.00 0.00 C ATOM 667 CG HIS A 41 2.888 -2.904 -7.936 1.00 0.00 C ATOM 668 ND1 HIS A 41 3.855 -1.981 -7.693 1.00 0.00 N flip ATOM 669 CD2 HIS A 41 2.441 -2.634 -9.221 1.00 0.00 C flip ATOM 670 CE1 HIS A 41 4.021 -1.178 -8.817 1.00 0.00 C flip ATOM 671 NE2 HIS A 41 3.151 -1.614 -9.699 1.00 0.00 N flip ATOM 0 H HIS A 41 2.547 -6.426 -5.501 1.00 0.00 H new ATOM 0 HA HIS A 41 2.890 -5.641 -8.328 1.00 0.00 H new ATOM 0 HB2 HIS A 41 1.276 -4.123 -7.221 1.00 0.00 H new ATOM 0 HB3 HIS A 41 2.488 -3.755 -6.010 1.00 0.00 H new ATOM 0 HD2 HIS A 41 1.655 -3.159 -9.743 1.00 0.00 H new ATOM 0 HE1 HIS A 41 4.721 -0.364 -8.939 1.00 0.00 H new ATOM 0 HE2 HIS A 41 3.034 -1.221 -10.633 1.00 0.00 H new ATOM 679 N ILE A 42 5.249 -5.603 -7.805 1.00 0.00 N ATOM 680 CA ILE A 42 6.655 -5.632 -7.601 1.00 0.00 C ATOM 681 C ILE A 42 7.172 -4.206 -7.752 1.00 0.00 C ATOM 682 O ILE A 42 6.649 -3.452 -8.569 1.00 0.00 O ATOM 683 CB ILE A 42 7.367 -6.636 -8.591 1.00 0.00 C ATOM 684 CG1 ILE A 42 7.001 -8.114 -8.289 1.00 0.00 C ATOM 685 CG2 ILE A 42 8.882 -6.476 -8.592 1.00 0.00 C ATOM 686 CD1 ILE A 42 5.578 -8.537 -8.608 1.00 0.00 C ATOM 0 H ILE A 42 4.970 -5.743 -8.776 1.00 0.00 H new ATOM 0 HA ILE A 42 6.884 -6.000 -6.601 1.00 0.00 H new ATOM 0 HB ILE A 42 6.995 -6.380 -9.583 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.682 -8.755 -8.849 1.00 0.00 H new ATOM 0 HG13 ILE A 42 7.184 -8.302 -7.231 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.323 -7.189 -9.289 1.00 0.00 H new ATOM 0 HG22 ILE A 42 9.141 -5.462 -8.898 1.00 0.00 H new ATOM 0 HG23 ILE A 42 9.268 -6.662 -7.590 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.445 -9.589 -8.354 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.880 -7.933 -8.028 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.386 -8.394 -9.671 1.00 0.00 H new ATOM 698 N LYS A 43 8.154 -3.839 -6.925 1.00 0.00 N ATOM 699 CA LYS A 43 8.741 -2.487 -6.887 1.00 0.00 C ATOM 700 C LYS A 43 7.779 -1.439 -6.275 1.00 0.00 C ATOM 701 O LYS A 43 7.728 -0.336 -6.769 1.00 0.00 O ATOM 702 CB LYS A 43 9.210 -1.992 -8.287 1.00 0.00 C ATOM 703 CG LYS A 43 10.367 -2.752 -8.891 1.00 0.00 C ATOM 704 CD LYS A 43 10.754 -2.184 -10.241 1.00 0.00 C ATOM 705 CE LYS A 43 11.960 -2.904 -10.810 1.00 0.00 C ATOM 706 NZ LYS A 43 12.393 -2.338 -12.102 1.00 0.00 N ATOM 0 H LYS A 43 8.574 -4.479 -6.251 1.00 0.00 H new ATOM 0 HA LYS A 43 9.615 -2.581 -6.242 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.365 -2.045 -8.974 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.490 -0.942 -8.207 1.00 0.00 H new ATOM 0 HG2 LYS A 43 11.223 -2.711 -8.218 1.00 0.00 H new ATOM 0 HG3 LYS A 43 10.098 -3.803 -9.000 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.915 -2.273 -10.931 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.974 -1.121 -10.142 1.00 0.00 H new ATOM 0 HE2 LYS A 43 12.783 -2.848 -10.098 1.00 0.00 H new ATOM 0 HE3 LYS A 43 11.722 -3.960 -10.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 13.220 -2.863 -12.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 11.618 -2.414 -12.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 12.646 -1.337 -11.975 1.00 0.00 H new ATOM 720 N PRO A 44 7.054 -1.726 -5.145 1.00 0.00 N ATOM 721 CA PRO A 44 6.144 -0.759 -4.579 1.00 0.00 C ATOM 722 C PRO A 44 6.910 0.341 -3.843 1.00 0.00 C ATOM 723 O PRO A 44 7.927 0.077 -3.177 1.00 0.00 O ATOM 724 CB PRO A 44 5.256 -1.556 -3.625 1.00 0.00 C ATOM 725 CG PRO A 44 5.883 -2.900 -3.486 1.00 0.00 C ATOM 726 CD PRO A 44 7.119 -2.933 -4.328 1.00 0.00 C ATOM 0 HA PRO A 44 5.555 -0.253 -5.344 1.00 0.00 H new ATOM 0 HB2 PRO A 44 5.183 -1.060 -2.657 1.00 0.00 H new ATOM 0 HB3 PRO A 44 4.242 -1.640 -4.017 1.00 0.00 H new ATOM 0 HG2 PRO A 44 6.129 -3.098 -2.443 1.00 0.00 H new ATOM 0 HG3 PRO A 44 5.188 -3.678 -3.802 1.00 0.00 H new ATOM 0 HD2 PRO A 44 8.017 -2.943 -3.710 1.00 0.00 H new ATOM 0 HD3 PRO A 44 7.149 -3.828 -4.949 1.00 0.00 H new ATOM 734 N GLY A 45 6.420 1.540 -3.940 1.00 0.00 N ATOM 735 CA GLY A 45 7.076 2.669 -3.354 1.00 0.00 C ATOM 736 C GLY A 45 6.072 3.615 -2.844 1.00 0.00 C ATOM 737 O GLY A 45 6.004 4.772 -3.264 1.00 0.00 O ATOM 0 H GLY A 45 5.553 1.763 -4.428 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.728 2.343 -2.543 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.709 3.159 -4.094 1.00 0.00 H new ATOM 741 N GLU A 46 5.224 3.113 -2.038 1.00 0.00 N ATOM 742 CA GLU A 46 4.221 3.875 -1.449 1.00 0.00 C ATOM 743 C GLU A 46 4.602 4.227 -0.023 1.00 0.00 C ATOM 744 O GLU A 46 5.034 3.394 0.760 1.00 0.00 O ATOM 745 CB GLU A 46 2.894 3.123 -1.530 1.00 0.00 C ATOM 746 CG GLU A 46 2.617 2.019 -0.466 1.00 0.00 C ATOM 747 CD GLU A 46 3.545 0.803 -0.525 1.00 0.00 C ATOM 748 OE1 GLU A 46 4.401 0.713 -1.459 1.00 0.00 O ATOM 749 OE2 GLU A 46 3.437 -0.085 0.370 1.00 0.00 O ATOM 0 H GLU A 46 5.215 2.130 -1.767 1.00 0.00 H new ATOM 0 HA GLU A 46 4.101 4.815 -1.988 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.090 3.856 -1.469 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.830 2.662 -2.515 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.694 2.466 0.525 1.00 0.00 H new ATOM 0 HG3 GLU A 46 1.589 1.676 -0.582 1.00 0.00 H new ATOM 756 N LYS A 47 4.501 5.462 0.271 1.00 0.00 N ATOM 757 CA LYS A 47 4.765 5.976 1.572 1.00 0.00 C ATOM 758 C LYS A 47 3.503 6.568 2.002 1.00 0.00 C ATOM 759 O LYS A 47 3.284 7.773 2.016 1.00 0.00 O ATOM 760 CB LYS A 47 5.801 6.997 1.508 1.00 0.00 C ATOM 761 CG LYS A 47 7.042 6.515 0.839 1.00 0.00 C ATOM 762 CD LYS A 47 7.987 7.624 0.673 1.00 0.00 C ATOM 763 CE LYS A 47 7.425 8.709 -0.226 1.00 0.00 C ATOM 764 NZ LYS A 47 8.300 9.870 -0.274 1.00 0.00 N ATOM 0 H LYS A 47 4.224 6.175 -0.403 1.00 0.00 H new ATOM 0 HA LYS A 47 5.116 5.205 2.258 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.418 7.865 0.972 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.043 7.328 2.518 1.00 0.00 H new ATOM 0 HG2 LYS A 47 7.500 5.722 1.431 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.798 6.086 -0.133 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.227 8.047 1.648 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.919 7.248 0.251 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.288 8.314 -1.233 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.441 9.009 0.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.726 10.736 -0.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.898 9.890 0.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.903 9.816 -1.120 1.00 0.00 H new ATOM 778 N ILE A 48 2.662 5.709 2.224 1.00 0.00 N ATOM 779 CA ILE A 48 1.337 6.014 2.572 1.00 0.00 C ATOM 780 C ILE A 48 1.168 6.221 4.053 1.00 0.00 C ATOM 781 O ILE A 48 1.376 5.319 4.851 1.00 0.00 O ATOM 782 CB ILE A 48 0.316 4.985 1.994 1.00 0.00 C ATOM 783 CG1 ILE A 48 0.582 3.558 2.505 1.00 0.00 C ATOM 784 CG2 ILE A 48 0.383 5.014 0.475 1.00 0.00 C ATOM 785 CD1 ILE A 48 -0.442 2.533 2.043 1.00 0.00 C ATOM 0 H ILE A 48 2.856 4.709 2.174 1.00 0.00 H new ATOM 0 HA ILE A 48 1.108 6.969 2.099 1.00 0.00 H new ATOM 0 HB ILE A 48 -0.680 5.270 2.333 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.571 3.243 2.173 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.601 3.571 3.595 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.328 4.297 0.066 1.00 0.00 H new ATOM 0 HG22 ILE A 48 0.136 6.014 0.119 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.390 4.752 0.150 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.184 1.554 2.445 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.431 2.822 2.398 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.446 2.488 0.954 1.00 0.00 H new ATOM 797 N LEU A 49 0.932 7.476 4.394 1.00 0.00 N ATOM 798 CA LEU A 49 0.631 7.989 5.753 1.00 0.00 C ATOM 799 C LEU A 49 1.785 7.847 6.734 1.00 0.00 C ATOM 800 O LEU A 49 1.691 8.270 7.880 1.00 0.00 O ATOM 801 CB LEU A 49 -0.634 7.326 6.375 1.00 0.00 C ATOM 802 CG LEU A 49 -1.898 7.140 5.499 1.00 0.00 C ATOM 803 CD1 LEU A 49 -2.086 8.236 4.474 1.00 0.00 C ATOM 804 CD2 LEU A 49 -1.966 5.749 4.887 1.00 0.00 C ATOM 0 H LEU A 49 0.942 8.223 3.700 1.00 0.00 H new ATOM 0 HA LEU A 49 0.447 9.052 5.596 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.342 6.342 6.742 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.921 7.918 7.244 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.748 7.231 6.175 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.990 8.042 3.896 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.178 9.196 4.981 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.226 8.260 3.805 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.868 5.662 4.281 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.090 5.584 4.260 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.989 5.003 5.681 1.00 0.00 H new ATOM 816 N GLY A 50 2.846 7.252 6.295 1.00 0.00 N ATOM 817 CA GLY A 50 3.972 6.979 7.157 1.00 0.00 C ATOM 818 C GLY A 50 3.793 5.598 7.774 1.00 0.00 C ATOM 819 O GLY A 50 4.751 4.921 8.131 1.00 0.00 O ATOM 0 H GLY A 50 2.966 6.938 5.332 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.901 7.021 6.589 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.041 7.736 7.939 1.00 0.00 H new ATOM 823 N ALA A 51 2.544 5.197 7.863 1.00 0.00 N ATOM 824 CA ALA A 51 2.111 3.930 8.361 1.00 0.00 C ATOM 825 C ALA A 51 1.015 3.469 7.432 1.00 0.00 C ATOM 826 O ALA A 51 0.038 4.189 7.224 1.00 0.00 O ATOM 827 CB ALA A 51 1.580 4.071 9.782 1.00 0.00 C ATOM 0 H ALA A 51 1.766 5.788 7.570 1.00 0.00 H new ATOM 0 HA ALA A 51 2.932 3.213 8.395 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.254 3.097 10.147 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.369 4.456 10.429 1.00 0.00 H new ATOM 0 HB3 ALA A 51 0.737 4.762 9.788 1.00 0.00 H new ATOM 833 N ARG A 52 1.184 2.309 6.856 1.00 0.00 N ATOM 834 CA ARG A 52 0.235 1.782 5.895 1.00 0.00 C ATOM 835 C ARG A 52 -1.073 1.353 6.569 1.00 0.00 C ATOM 836 O ARG A 52 -1.143 0.332 7.261 1.00 0.00 O ATOM 837 CB ARG A 52 0.883 0.656 5.051 1.00 0.00 C ATOM 838 CG ARG A 52 1.400 -0.524 5.857 1.00 0.00 C ATOM 839 CD ARG A 52 2.265 -1.459 5.030 1.00 0.00 C ATOM 840 NE ARG A 52 1.590 -2.006 3.841 1.00 0.00 N ATOM 841 CZ ARG A 52 1.578 -3.312 3.509 1.00 0.00 C ATOM 842 NH1 ARG A 52 2.077 -4.226 4.342 1.00 0.00 N ATOM 843 NH2 ARG A 52 1.068 -3.694 2.345 1.00 0.00 N ATOM 0 H ARG A 52 1.981 1.698 7.035 1.00 0.00 H new ATOM 0 HA ARG A 52 -0.037 2.579 5.203 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.150 0.293 4.330 1.00 0.00 H new ATOM 0 HB3 ARG A 52 1.710 1.079 4.480 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.977 -0.156 6.705 1.00 0.00 H new ATOM 0 HG3 ARG A 52 0.555 -1.080 6.264 1.00 0.00 H new ATOM 0 HD2 ARG A 52 3.160 -0.924 4.713 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.594 -2.285 5.660 1.00 0.00 H new ATOM 0 HE ARG A 52 1.100 -1.354 3.229 1.00 0.00 H new ATOM 0 HH11 ARG A 52 2.471 -3.938 5.238 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.064 -5.213 4.084 1.00 0.00 H new ATOM 0 HH21 ARG A 52 0.686 -2.999 1.703 1.00 0.00 H new ATOM 0 HH22 ARG A 52 1.058 -4.682 2.092 1.00 0.00 H new ATOM 857 N ILE A 53 -2.078 2.178 6.422 1.00 0.00 N ATOM 858 CA ILE A 53 -3.370 1.938 6.989 1.00 0.00 C ATOM 859 C ILE A 53 -4.351 2.082 5.864 1.00 0.00 C ATOM 860 O ILE A 53 -4.263 3.039 5.127 1.00 0.00 O ATOM 861 CB ILE A 53 -3.692 3.007 8.078 1.00 0.00 C ATOM 862 CG1 ILE A 53 -2.560 3.067 9.127 1.00 0.00 C ATOM 863 CG2 ILE A 53 -5.032 2.702 8.757 1.00 0.00 C ATOM 864 CD1 ILE A 53 -2.729 4.134 10.188 1.00 0.00 C ATOM 0 H ILE A 53 -2.015 3.049 5.895 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.414 0.953 7.454 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.767 3.979 7.591 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -2.487 2.096 9.617 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.615 3.235 8.611 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.237 3.460 9.513 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.827 2.708 8.012 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.985 1.721 9.230 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.886 4.098 10.878 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.769 5.115 9.714 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.654 3.958 10.737 1.00 0.00 H new ATOM 876 N ILE A 54 -5.253 1.140 5.728 1.00 0.00 N ATOM 877 CA ILE A 54 -6.245 1.157 4.653 1.00 0.00 C ATOM 878 C ILE A 54 -7.291 2.231 4.961 1.00 0.00 C ATOM 879 O ILE A 54 -7.933 2.776 4.083 1.00 0.00 O ATOM 880 CB ILE A 54 -6.935 -0.248 4.522 1.00 0.00 C ATOM 881 CG1 ILE A 54 -5.885 -1.358 4.288 1.00 0.00 C ATOM 882 CG2 ILE A 54 -7.992 -0.274 3.418 1.00 0.00 C ATOM 883 CD1 ILE A 54 -5.047 -1.187 3.027 1.00 0.00 C ATOM 0 H ILE A 54 -5.329 0.337 6.352 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.752 1.384 3.708 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.445 -0.438 5.466 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.218 -1.395 5.149 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.397 -2.319 4.240 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.440 -1.266 3.367 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.765 0.463 3.637 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.525 -0.037 2.462 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -4.339 -2.012 2.946 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.700 -1.183 2.154 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -4.502 -0.244 3.077 1.00 0.00 H new ATOM 895 N GLY A 55 -7.462 2.498 6.227 1.00 0.00 N ATOM 896 CA GLY A 55 -8.409 3.500 6.670 1.00 0.00 C ATOM 897 C GLY A 55 -9.689 2.841 7.062 1.00 0.00 C ATOM 898 O GLY A 55 -10.435 3.321 7.918 1.00 0.00 O ATOM 0 H GLY A 55 -6.955 2.034 6.981 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.000 4.053 7.515 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.589 4.222 5.873 1.00 0.00 H new ATOM 902 N ILE A 56 -9.923 1.738 6.442 1.00 0.00 N ATOM 903 CA ILE A 56 -11.054 0.922 6.686 1.00 0.00 C ATOM 904 C ILE A 56 -10.554 -0.269 7.462 1.00 0.00 C ATOM 905 O ILE A 56 -9.710 -0.994 6.946 1.00 0.00 O ATOM 906 CB ILE A 56 -11.645 0.415 5.349 1.00 0.00 C ATOM 907 CG1 ILE A 56 -11.963 1.597 4.430 1.00 0.00 C ATOM 908 CG2 ILE A 56 -12.889 -0.438 5.596 1.00 0.00 C ATOM 909 CD1 ILE A 56 -12.448 1.197 3.060 1.00 0.00 C ATOM 0 H ILE A 56 -9.304 1.367 5.721 1.00 0.00 H new ATOM 0 HA ILE A 56 -11.823 1.478 7.222 1.00 0.00 H new ATOM 0 HB ILE A 56 -10.903 -0.213 4.856 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -12.721 2.219 4.905 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -11.069 2.211 4.322 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -13.288 -0.784 4.643 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -12.624 -1.298 6.212 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -13.643 0.158 6.110 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -12.651 2.091 2.471 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -11.683 0.601 2.563 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -13.361 0.609 3.155 1.00 0.00 H new ATOM 921 N PRO A 57 -10.981 -0.441 8.723 1.00 0.00 N ATOM 922 CA PRO A 57 -10.589 -1.595 9.540 1.00 0.00 C ATOM 923 C PRO A 57 -11.034 -2.903 8.872 1.00 0.00 C ATOM 924 O PRO A 57 -12.230 -3.214 8.831 1.00 0.00 O ATOM 925 CB PRO A 57 -11.349 -1.380 10.858 1.00 0.00 C ATOM 926 CG PRO A 57 -11.624 0.079 10.891 1.00 0.00 C ATOM 927 CD PRO A 57 -11.863 0.476 9.467 1.00 0.00 C ATOM 0 HA PRO A 57 -9.510 -1.671 9.678 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -12.272 -1.959 10.884 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -10.753 -1.692 11.716 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -12.493 0.300 11.511 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -10.782 0.627 11.315 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -12.908 0.353 9.182 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -11.605 1.520 9.289 1.00 0.00 H new ATOM 935 N PRO A 58 -10.097 -3.671 8.318 1.00 0.00 N ATOM 936 CA PRO A 58 -10.403 -4.878 7.622 1.00 0.00 C ATOM 937 C PRO A 58 -10.264 -6.084 8.513 1.00 0.00 C ATOM 938 O PRO A 58 -10.043 -5.964 9.723 1.00 0.00 O ATOM 939 CB PRO A 58 -9.319 -4.905 6.540 1.00 0.00 C ATOM 940 CG PRO A 58 -8.142 -4.184 7.132 1.00 0.00 C ATOM 941 CD PRO A 58 -8.643 -3.442 8.349 1.00 0.00 C ATOM 0 HA PRO A 58 -11.426 -4.906 7.246 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -9.058 -5.929 6.272 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -9.662 -4.415 5.629 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -7.357 -4.888 7.406 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.711 -3.492 6.409 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -8.196 -3.827 9.266 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -8.403 -2.380 8.298 1.00 0.00 H new ATOM 949 N VAL A 59 -10.428 -7.230 7.921 1.00 0.00 N ATOM 950 CA VAL A 59 -10.262 -8.481 8.615 1.00 0.00 C ATOM 951 C VAL A 59 -8.769 -8.625 8.936 1.00 0.00 C ATOM 952 O VAL A 59 -7.959 -8.645 8.021 1.00 0.00 O ATOM 953 CB VAL A 59 -10.715 -9.657 7.714 1.00 0.00 C ATOM 954 CG1 VAL A 59 -10.648 -10.977 8.457 1.00 0.00 C ATOM 955 CG2 VAL A 59 -12.119 -9.417 7.183 1.00 0.00 C ATOM 0 H VAL A 59 -10.682 -7.328 6.938 1.00 0.00 H new ATOM 0 HA VAL A 59 -10.864 -8.498 9.524 1.00 0.00 H new ATOM 0 HB VAL A 59 -10.028 -9.711 6.869 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -10.972 -11.782 7.798 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -9.623 -11.162 8.779 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -11.301 -10.937 9.329 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -12.418 -10.255 6.553 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -12.813 -9.326 8.018 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -12.134 -8.498 6.597 1.00 0.00 H new ATOM 965 N PRO A 60 -8.374 -8.658 10.215 1.00 0.00 N ATOM 966 CA PRO A 60 -6.971 -8.730 10.586 1.00 0.00 C ATOM 967 C PRO A 60 -6.384 -10.137 10.462 1.00 0.00 C ATOM 968 O PRO A 60 -6.168 -10.838 11.470 1.00 0.00 O ATOM 969 CB PRO A 60 -6.935 -8.247 12.050 1.00 0.00 C ATOM 970 CG PRO A 60 -8.353 -7.911 12.402 1.00 0.00 C ATOM 971 CD PRO A 60 -9.227 -8.615 11.401 1.00 0.00 C ATOM 0 HA PRO A 60 -6.362 -8.122 9.917 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -6.541 -9.022 12.708 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -6.288 -7.377 12.159 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -8.587 -8.236 13.416 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -8.515 -6.834 12.367 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -9.506 -9.614 11.737 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -10.153 -8.070 11.216 1.00 0.00 H new ATOM 979 N ILE A 61 -6.223 -10.586 9.243 1.00 0.00 N ATOM 980 CA ILE A 61 -5.620 -11.858 8.963 1.00 0.00 C ATOM 981 C ILE A 61 -4.562 -11.604 7.901 1.00 0.00 C ATOM 982 O ILE A 61 -4.735 -10.713 7.074 1.00 0.00 O ATOM 983 CB ILE A 61 -6.684 -12.898 8.460 1.00 0.00 C ATOM 984 CG1 ILE A 61 -7.749 -13.162 9.542 1.00 0.00 C ATOM 985 CG2 ILE A 61 -6.026 -14.212 8.046 1.00 0.00 C ATOM 986 CD1 ILE A 61 -8.862 -14.097 9.106 1.00 0.00 C ATOM 0 H ILE A 61 -6.511 -10.071 8.411 1.00 0.00 H new ATOM 0 HA ILE A 61 -5.181 -12.286 9.864 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.170 -12.467 7.585 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -7.261 -13.582 10.421 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.187 -12.211 9.844 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.790 -14.909 7.703 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.317 -14.026 7.240 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.500 -14.640 8.899 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -9.568 -14.229 9.926 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -9.379 -13.671 8.246 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -8.439 -15.064 8.832 1.00 0.00 H new ATOM 998 N GLY A 62 -3.464 -12.309 7.934 1.00 0.00 N ATOM 999 CA GLY A 62 -2.474 -12.093 6.931 1.00 0.00 C ATOM 1000 C GLY A 62 -1.100 -12.512 7.344 1.00 0.00 C ATOM 1001 O GLY A 62 -0.775 -12.531 8.538 1.00 0.00 O ATOM 0 H GLY A 62 -3.241 -13.021 8.630 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.756 -12.639 6.031 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.459 -11.035 6.670 1.00 0.00 H new ATOM 1005 N ILE A 63 -0.294 -12.845 6.364 1.00 0.00 N ATOM 1006 CA ILE A 63 1.054 -13.291 6.586 1.00 0.00 C ATOM 1007 C ILE A 63 2.024 -12.372 5.850 1.00 0.00 C ATOM 1008 O ILE A 63 2.136 -12.423 4.612 1.00 0.00 O ATOM 1009 CB ILE A 63 1.261 -14.750 6.079 1.00 0.00 C ATOM 1010 CG1 ILE A 63 0.250 -15.703 6.735 1.00 0.00 C ATOM 1011 CG2 ILE A 63 2.688 -15.216 6.362 1.00 0.00 C ATOM 1012 CD1 ILE A 63 0.308 -17.125 6.213 1.00 0.00 C ATOM 0 H ILE A 63 -0.562 -12.812 5.380 1.00 0.00 H new ATOM 0 HA ILE A 63 1.243 -13.265 7.659 1.00 0.00 H new ATOM 0 HB ILE A 63 1.096 -14.763 5.002 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.424 -15.715 7.811 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.755 -15.311 6.580 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.816 -16.237 6.002 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.393 -14.560 5.851 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.875 -15.184 7.435 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.437 -17.732 6.728 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.102 -17.128 5.143 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.300 -17.538 6.393 1.00 0.00 H new ATOM 1024 N ASP A 64 2.667 -11.508 6.587 1.00 0.00 N ATOM 1025 CA ASP A 64 3.665 -10.606 6.030 1.00 0.00 C ATOM 1026 C ASP A 64 5.006 -11.264 6.164 1.00 0.00 C ATOM 1027 O ASP A 64 5.502 -11.421 7.280 1.00 0.00 O ATOM 1028 CB ASP A 64 3.711 -9.250 6.780 1.00 0.00 C ATOM 1029 CG ASP A 64 2.467 -8.397 6.641 1.00 0.00 C ATOM 1030 OD1 ASP A 64 1.438 -8.719 7.267 1.00 0.00 O ATOM 1031 OD2 ASP A 64 2.511 -7.371 5.932 1.00 0.00 O ATOM 0 H ASP A 64 2.521 -11.401 7.591 1.00 0.00 H new ATOM 0 HA ASP A 64 3.406 -10.406 4.990 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.884 -9.444 7.839 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.566 -8.680 6.417 1.00 0.00 H new ATOM 1036 N GLU A 65 5.584 -11.698 5.066 1.00 0.00 N ATOM 1037 CA GLU A 65 6.879 -12.331 5.137 1.00 0.00 C ATOM 1038 C GLU A 65 7.960 -11.298 5.284 1.00 0.00 C ATOM 1039 O GLU A 65 8.558 -11.140 6.347 1.00 0.00 O ATOM 1040 CB GLU A 65 7.168 -13.192 3.916 1.00 0.00 C ATOM 1041 CG GLU A 65 6.322 -14.432 3.786 1.00 0.00 C ATOM 1042 CD GLU A 65 6.839 -15.315 2.688 1.00 0.00 C ATOM 1043 OE1 GLU A 65 7.919 -15.928 2.873 1.00 0.00 O ATOM 1044 OE2 GLU A 65 6.211 -15.397 1.622 1.00 0.00 O ATOM 0 H GLU A 65 5.186 -11.626 4.130 1.00 0.00 H new ATOM 0 HA GLU A 65 6.865 -12.981 6.012 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.031 -12.583 3.022 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.217 -13.489 3.941 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.322 -14.979 4.729 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.289 -14.153 3.579 1.00 0.00 H new ATOM 1051 N GLU A 66 8.167 -10.567 4.241 1.00 0.00 N ATOM 1052 CA GLU A 66 9.180 -9.572 4.186 1.00 0.00 C ATOM 1053 C GLU A 66 8.725 -8.539 3.189 1.00 0.00 C ATOM 1054 O GLU A 66 7.794 -8.794 2.432 1.00 0.00 O ATOM 1055 CB GLU A 66 10.522 -10.230 3.783 1.00 0.00 C ATOM 1056 CG GLU A 66 11.726 -9.313 3.761 1.00 0.00 C ATOM 1057 CD GLU A 66 11.864 -8.538 5.027 1.00 0.00 C ATOM 1058 OE1 GLU A 66 12.483 -9.036 5.978 1.00 0.00 O ATOM 1059 OE2 GLU A 66 11.315 -7.427 5.094 1.00 0.00 O ATOM 0 H GLU A 66 7.622 -10.648 3.383 1.00 0.00 H new ATOM 0 HA GLU A 66 9.342 -9.092 5.151 1.00 0.00 H new ATOM 0 HB2 GLU A 66 10.725 -11.049 4.474 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.406 -10.670 2.792 1.00 0.00 H new ATOM 0 HG2 GLU A 66 12.628 -9.903 3.598 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.640 -8.623 2.922 1.00 0.00 H new ATOM 1066 N ARG A 67 9.344 -7.399 3.199 1.00 0.00 N ATOM 1067 CA ARG A 67 8.962 -6.325 2.313 1.00 0.00 C ATOM 1068 C ARG A 67 9.575 -6.582 0.948 1.00 0.00 C ATOM 1069 O ARG A 67 9.013 -6.243 -0.095 1.00 0.00 O ATOM 1070 CB ARG A 67 9.438 -4.990 2.880 1.00 0.00 C ATOM 1071 CG ARG A 67 8.492 -3.834 2.602 1.00 0.00 C ATOM 1072 CD ARG A 67 8.375 -3.470 1.131 1.00 0.00 C ATOM 1073 NE ARG A 67 7.281 -2.520 0.914 1.00 0.00 N ATOM 1074 CZ ARG A 67 7.165 -1.657 -0.096 1.00 0.00 C ATOM 1075 NH1 ARG A 67 8.176 -1.473 -0.952 1.00 0.00 N ATOM 1076 NH2 ARG A 67 6.050 -0.967 -0.223 1.00 0.00 N ATOM 0 H ARG A 67 10.126 -7.180 3.816 1.00 0.00 H new ATOM 0 HA ARG A 67 7.877 -6.282 2.218 1.00 0.00 H new ATOM 0 HB2 ARG A 67 9.569 -5.089 3.958 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.416 -4.756 2.460 1.00 0.00 H new ATOM 0 HG2 ARG A 67 7.503 -4.088 2.982 1.00 0.00 H new ATOM 0 HG3 ARG A 67 8.831 -2.959 3.156 1.00 0.00 H new ATOM 0 HD2 ARG A 67 9.313 -3.037 0.784 1.00 0.00 H new ATOM 0 HD3 ARG A 67 8.202 -4.371 0.542 1.00 0.00 H new ATOM 0 HE ARG A 67 6.532 -2.519 1.606 1.00 0.00 H new ATOM 0 HH11 ARG A 67 9.045 -1.995 -0.835 1.00 0.00 H new ATOM 0 HH12 ARG A 67 8.078 -0.811 -1.722 1.00 0.00 H new ATOM 0 HH21 ARG A 67 5.291 -1.097 0.446 1.00 0.00 H new ATOM 0 HH22 ARG A 67 5.946 -0.303 -0.990 1.00 0.00 H new ATOM 1090 N SER A 68 10.714 -7.200 0.970 1.00 0.00 N ATOM 1091 CA SER A 68 11.429 -7.575 -0.216 1.00 0.00 C ATOM 1092 C SER A 68 11.089 -9.005 -0.577 1.00 0.00 C ATOM 1093 O SER A 68 11.933 -9.795 -1.003 1.00 0.00 O ATOM 1094 CB SER A 68 12.898 -7.418 0.056 1.00 0.00 C ATOM 1095 OG SER A 68 13.223 -8.003 1.307 1.00 0.00 O ATOM 0 H SER A 68 11.187 -7.466 1.834 1.00 0.00 H new ATOM 0 HA SER A 68 11.150 -6.941 -1.058 1.00 0.00 H new ATOM 0 HB2 SER A 68 13.476 -7.891 -0.738 1.00 0.00 H new ATOM 0 HB3 SER A 68 13.165 -6.361 0.059 1.00 0.00 H new ATOM 0 HG SER A 68 14.080 -8.473 1.235 1.00 0.00 H new ATOM 1101 N THR A 69 9.869 -9.316 -0.387 1.00 0.00 N ATOM 1102 CA THR A 69 9.295 -10.579 -0.645 1.00 0.00 C ATOM 1103 C THR A 69 7.806 -10.285 -0.700 1.00 0.00 C ATOM 1104 O THR A 69 7.406 -9.152 -0.409 1.00 0.00 O ATOM 1105 CB THR A 69 9.604 -11.578 0.532 1.00 0.00 C ATOM 1106 OG1 THR A 69 11.027 -11.666 0.759 1.00 0.00 O ATOM 1107 CG2 THR A 69 9.080 -12.982 0.253 1.00 0.00 C ATOM 0 H THR A 69 9.193 -8.647 -0.020 1.00 0.00 H new ATOM 0 HA THR A 69 9.679 -11.041 -1.555 1.00 0.00 H new ATOM 0 HB THR A 69 9.097 -11.183 1.412 1.00 0.00 H new ATOM 0 HG1 THR A 69 11.199 -12.226 1.544 1.00 0.00 H new ATOM 0 HG21 THR A 69 9.318 -13.633 1.094 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.999 -12.946 0.116 1.00 0.00 H new ATOM 0 HG23 THR A 69 9.547 -13.372 -0.651 1.00 0.00 H new ATOM 1115 N VAL A 70 7.020 -11.228 -1.095 1.00 0.00 N ATOM 1116 CA VAL A 70 5.608 -11.052 -1.121 1.00 0.00 C ATOM 1117 C VAL A 70 5.052 -11.153 0.292 1.00 0.00 C ATOM 1118 O VAL A 70 5.708 -11.662 1.217 1.00 0.00 O ATOM 1119 CB VAL A 70 4.918 -12.109 -2.020 1.00 0.00 C ATOM 1120 CG1 VAL A 70 5.333 -11.936 -3.467 1.00 0.00 C ATOM 1121 CG2 VAL A 70 5.252 -13.518 -1.548 1.00 0.00 C ATOM 0 H VAL A 70 7.339 -12.144 -1.410 1.00 0.00 H new ATOM 0 HA VAL A 70 5.403 -10.065 -1.536 1.00 0.00 H new ATOM 0 HB VAL A 70 3.841 -11.961 -1.945 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.837 -12.688 -4.080 1.00 0.00 H new ATOM 0 HG12 VAL A 70 5.048 -10.942 -3.811 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.413 -12.053 -3.552 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.758 -14.245 -2.193 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.331 -13.670 -1.591 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.907 -13.649 -0.522 1.00 0.00 H new ATOM 1131 N MET A 71 3.887 -10.650 0.449 1.00 0.00 N ATOM 1132 CA MET A 71 3.169 -10.693 1.684 1.00 0.00 C ATOM 1133 C MET A 71 1.736 -10.966 1.339 1.00 0.00 C ATOM 1134 O MET A 71 1.126 -10.205 0.604 1.00 0.00 O ATOM 1135 CB MET A 71 3.313 -9.368 2.472 1.00 0.00 C ATOM 1136 CG MET A 71 2.967 -8.112 1.674 1.00 0.00 C ATOM 1137 SD MET A 71 3.032 -6.598 2.648 1.00 0.00 S ATOM 1138 CE MET A 71 4.727 -6.649 3.247 1.00 0.00 C ATOM 0 H MET A 71 3.381 -10.178 -0.300 1.00 0.00 H new ATOM 0 HA MET A 71 3.568 -11.473 2.333 1.00 0.00 H new ATOM 0 HB2 MET A 71 2.671 -9.412 3.351 1.00 0.00 H new ATOM 0 HB3 MET A 71 4.339 -9.284 2.831 1.00 0.00 H new ATOM 0 HG2 MET A 71 3.656 -8.024 0.834 1.00 0.00 H new ATOM 0 HG3 MET A 71 1.967 -8.222 1.255 1.00 0.00 H new ATOM 0 HE1 MET A 71 5.017 -5.660 3.603 1.00 0.00 H new ATOM 0 HE2 MET A 71 4.803 -7.366 4.065 1.00 0.00 H new ATOM 0 HE3 MET A 71 5.390 -6.952 2.437 1.00 0.00 H new ATOM 1148 N ILE A 72 1.213 -12.067 1.797 1.00 0.00 N ATOM 1149 CA ILE A 72 -0.145 -12.425 1.469 1.00 0.00 C ATOM 1150 C ILE A 72 -1.040 -12.224 2.680 1.00 0.00 C ATOM 1151 O ILE A 72 -1.097 -13.078 3.590 1.00 0.00 O ATOM 1152 CB ILE A 72 -0.316 -13.895 0.892 1.00 0.00 C ATOM 1153 CG1 ILE A 72 0.396 -14.089 -0.470 1.00 0.00 C ATOM 1154 CG2 ILE A 72 -1.788 -14.252 0.731 1.00 0.00 C ATOM 1155 CD1 ILE A 72 1.903 -14.119 -0.419 1.00 0.00 C ATOM 0 H ILE A 72 1.700 -12.733 2.397 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.444 -11.759 0.660 1.00 0.00 H new ATOM 0 HB ILE A 72 0.151 -14.558 1.620 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.047 -15.022 -0.913 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.089 -13.284 -1.138 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.876 -15.263 0.334 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.284 -14.198 1.700 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.259 -13.550 0.043 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.298 -14.259 -1.425 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.272 -13.178 -0.012 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.229 -14.942 0.217 1.00 0.00 H new ATOM 1167 N PRO A 73 -1.684 -11.065 2.777 1.00 0.00 N ATOM 1168 CA PRO A 73 -2.583 -10.792 3.831 1.00 0.00 C ATOM 1169 C PRO A 73 -4.002 -11.166 3.440 1.00 0.00 C ATOM 1170 O PRO A 73 -4.309 -11.395 2.249 1.00 0.00 O ATOM 1171 CB PRO A 73 -2.461 -9.269 4.038 1.00 0.00 C ATOM 1172 CG PRO A 73 -1.696 -8.755 2.853 1.00 0.00 C ATOM 1173 CD PRO A 73 -1.563 -9.905 1.893 1.00 0.00 C ATOM 0 HA PRO A 73 -2.356 -11.361 4.733 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -3.444 -8.803 4.101 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.940 -9.041 4.968 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -2.219 -7.920 2.387 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.715 -8.388 3.155 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -2.343 -9.891 1.131 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -0.607 -9.890 1.370 1.00 0.00 H new ATOM 1181 N TYR A 74 -4.840 -11.243 4.404 1.00 0.00 N ATOM 1182 CA TYR A 74 -6.210 -11.524 4.199 1.00 0.00 C ATOM 1183 C TYR A 74 -6.958 -10.464 4.938 1.00 0.00 C ATOM 1184 O TYR A 74 -7.641 -10.697 5.944 1.00 0.00 O ATOM 1185 CB TYR A 74 -6.583 -12.915 4.682 1.00 0.00 C ATOM 1186 CG TYR A 74 -7.976 -13.361 4.284 1.00 0.00 C ATOM 1187 CD1 TYR A 74 -8.279 -13.643 2.958 1.00 0.00 C ATOM 1188 CD2 TYR A 74 -8.978 -13.515 5.231 1.00 0.00 C ATOM 1189 CE1 TYR A 74 -9.539 -14.062 2.590 1.00 0.00 C ATOM 1190 CE2 TYR A 74 -10.240 -13.929 4.871 1.00 0.00 C ATOM 1191 CZ TYR A 74 -10.516 -14.202 3.551 1.00 0.00 C ATOM 1192 OH TYR A 74 -11.777 -14.636 3.188 1.00 0.00 O ATOM 0 H TYR A 74 -4.586 -11.109 5.383 1.00 0.00 H new ATOM 0 HA TYR A 74 -6.457 -11.516 3.137 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.859 -13.629 4.289 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.502 -12.944 5.769 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.515 -13.532 2.203 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.764 -13.306 6.269 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -9.759 -14.279 1.555 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -11.010 -14.039 5.621 1.00 0.00 H new ATOM 0 HH TYR A 74 -12.348 -14.682 3.983 1.00 0.00 H new ATOM 1202 N THR A 75 -6.679 -9.276 4.541 1.00 0.00 N ATOM 1203 CA THR A 75 -7.314 -8.169 5.082 1.00 0.00 C ATOM 1204 C THR A 75 -8.386 -7.753 4.110 1.00 0.00 C ATOM 1205 O THR A 75 -8.082 -7.296 2.997 1.00 0.00 O ATOM 1206 CB THR A 75 -6.320 -7.028 5.332 1.00 0.00 C ATOM 1207 OG1 THR A 75 -5.553 -6.794 4.130 1.00 0.00 O ATOM 1208 CG2 THR A 75 -5.376 -7.348 6.485 1.00 0.00 C ATOM 0 H THR A 75 -5.991 -9.060 3.820 1.00 0.00 H new ATOM 0 HA THR A 75 -7.751 -8.415 6.050 1.00 0.00 H new ATOM 0 HB THR A 75 -6.886 -6.136 5.601 1.00 0.00 H new ATOM 0 HG1 THR A 75 -4.917 -6.064 4.284 1.00 0.00 H new ATOM 0 HG21 THR A 75 -4.687 -6.517 6.632 1.00 0.00 H new ATOM 0 HG22 THR A 75 -5.954 -7.506 7.396 1.00 0.00 H new ATOM 0 HG23 THR A 75 -4.811 -8.251 6.253 1.00 0.00 H new ATOM 1216 N LYS A 76 -9.611 -7.951 4.490 1.00 0.00 N ATOM 1217 CA LYS A 76 -10.727 -7.652 3.623 1.00 0.00 C ATOM 1218 C LYS A 76 -11.434 -6.385 4.058 1.00 0.00 C ATOM 1219 O LYS A 76 -12.134 -6.384 5.075 1.00 0.00 O ATOM 1220 CB LYS A 76 -11.730 -8.825 3.597 1.00 0.00 C ATOM 1221 CG LYS A 76 -12.909 -8.632 2.632 1.00 0.00 C ATOM 1222 CD LYS A 76 -13.894 -9.805 2.684 1.00 0.00 C ATOM 1223 CE LYS A 76 -14.744 -9.831 3.970 1.00 0.00 C ATOM 1224 NZ LYS A 76 -15.761 -8.741 4.017 1.00 0.00 N ATOM 0 H LYS A 76 -9.873 -8.322 5.403 1.00 0.00 H new ATOM 0 HA LYS A 76 -10.330 -7.502 2.619 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.198 -9.736 3.323 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -12.121 -8.975 4.603 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -13.432 -7.708 2.880 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -12.531 -8.521 1.616 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -14.556 -9.753 1.820 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -13.339 -10.740 2.604 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -15.248 -10.794 4.047 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -14.087 -9.745 4.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -16.335 -8.839 4.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -15.281 -7.818 4.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -16.377 -8.805 3.181 1.00 0.00 H new ATOM 1238 N PRO A 77 -11.166 -5.266 3.388 1.00 0.00 N ATOM 1239 CA PRO A 77 -11.834 -4.025 3.640 1.00 0.00 C ATOM 1240 C PRO A 77 -12.843 -3.777 2.505 1.00 0.00 C ATOM 1241 O PRO A 77 -13.201 -4.707 1.775 1.00 0.00 O ATOM 1242 CB PRO A 77 -10.680 -3.017 3.544 1.00 0.00 C ATOM 1243 CG PRO A 77 -9.655 -3.669 2.646 1.00 0.00 C ATOM 1244 CD PRO A 77 -10.133 -5.081 2.368 1.00 0.00 C ATOM 0 HA PRO A 77 -12.378 -3.978 4.584 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -11.020 -2.068 3.129 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -10.262 -2.803 4.528 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -9.547 -3.110 1.717 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -8.676 -3.682 3.126 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -10.534 -5.184 1.360 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -9.328 -5.810 2.467 1.00 0.00 H new ATOM 1252 N CYS A 78 -13.253 -2.546 2.315 1.00 0.00 N ATOM 1253 CA CYS A 78 -14.162 -2.239 1.232 1.00 0.00 C ATOM 1254 C CYS A 78 -13.380 -2.059 -0.077 1.00 0.00 C ATOM 1255 O CYS A 78 -13.965 -1.967 -1.144 1.00 0.00 O ATOM 1256 CB CYS A 78 -14.988 -0.979 1.548 1.00 0.00 C ATOM 1257 SG CYS A 78 -16.206 -0.528 0.286 1.00 0.00 S ATOM 0 H CYS A 78 -12.977 -1.748 2.887 1.00 0.00 H new ATOM 0 HA CYS A 78 -14.854 -3.073 1.115 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -15.507 -1.130 2.495 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -14.305 -0.141 1.689 1.00 0.00 H new ATOM 0 HG CYS A 78 -15.796 -0.936 -0.878 1.00 0.00 H new ATOM 1263 N TYR A 79 -12.064 -2.021 0.012 1.00 0.00 N ATOM 1264 CA TYR A 79 -11.249 -1.813 -1.167 1.00 0.00 C ATOM 1265 C TYR A 79 -10.736 -3.151 -1.718 1.00 0.00 C ATOM 1266 O TYR A 79 -11.308 -3.695 -2.653 1.00 0.00 O ATOM 1267 CB TYR A 79 -10.089 -0.849 -0.870 1.00 0.00 C ATOM 1268 CG TYR A 79 -9.376 -0.341 -2.105 1.00 0.00 C ATOM 1269 CD1 TYR A 79 -9.827 0.797 -2.752 1.00 0.00 C ATOM 1270 CD2 TYR A 79 -8.260 -0.991 -2.624 1.00 0.00 C ATOM 1271 CE1 TYR A 79 -9.195 1.275 -3.873 1.00 0.00 C ATOM 1272 CE2 TYR A 79 -7.621 -0.515 -3.751 1.00 0.00 C ATOM 1273 CZ TYR A 79 -8.101 0.628 -4.370 1.00 0.00 C ATOM 1274 OH TYR A 79 -7.488 1.121 -5.498 1.00 0.00 O ATOM 0 H TYR A 79 -11.541 -2.131 0.881 1.00 0.00 H new ATOM 0 HA TYR A 79 -11.872 -1.354 -1.935 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -10.473 0.003 -0.309 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -9.367 -1.353 -0.228 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -10.692 1.318 -2.368 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -7.889 -1.881 -2.138 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -9.564 2.164 -4.362 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -6.756 -1.028 -4.146 1.00 0.00 H new ATOM 0 HH TYR A 79 -7.299 0.384 -6.116 1.00 0.00 H new ATOM 1284 N GLY A 80 -9.693 -3.685 -1.105 1.00 0.00 N ATOM 1285 CA GLY A 80 -9.111 -4.931 -1.541 1.00 0.00 C ATOM 1286 C GLY A 80 -7.892 -5.245 -0.714 1.00 0.00 C ATOM 1287 O GLY A 80 -7.625 -4.546 0.271 1.00 0.00 O ATOM 0 H GLY A 80 -9.233 -3.266 -0.297 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.841 -5.735 -1.449 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -8.840 -4.867 -2.595 1.00 0.00 H new ATOM 1291 N THR A 81 -7.162 -6.257 -1.082 1.00 0.00 N ATOM 1292 CA THR A 81 -6.004 -6.652 -0.340 1.00 0.00 C ATOM 1293 C THR A 81 -4.742 -6.393 -1.184 1.00 0.00 C ATOM 1294 O THR A 81 -4.769 -6.505 -2.422 1.00 0.00 O ATOM 1295 CB THR A 81 -6.113 -8.126 0.070 1.00 0.00 C ATOM 1296 OG1 THR A 81 -7.445 -8.392 0.555 1.00 0.00 O ATOM 1297 CG2 THR A 81 -5.129 -8.447 1.177 1.00 0.00 C ATOM 0 H THR A 81 -7.353 -6.830 -1.904 1.00 0.00 H new ATOM 0 HA THR A 81 -5.934 -6.061 0.573 1.00 0.00 H new ATOM 0 HB THR A 81 -5.891 -8.742 -0.802 1.00 0.00 H new ATOM 0 HG1 THR A 81 -7.527 -8.072 1.478 1.00 0.00 H new ATOM 0 HG21 THR A 81 -5.222 -9.497 1.453 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.114 -8.252 0.830 1.00 0.00 H new ATOM 0 HG23 THR A 81 -5.342 -7.823 2.045 1.00 0.00 H new ATOM 1305 N ALA A 82 -3.645 -6.095 -0.525 1.00 0.00 N ATOM 1306 CA ALA A 82 -2.434 -5.735 -1.209 1.00 0.00 C ATOM 1307 C ALA A 82 -1.246 -6.622 -0.894 1.00 0.00 C ATOM 1308 O ALA A 82 -0.893 -6.818 0.261 1.00 0.00 O ATOM 1309 CB ALA A 82 -2.077 -4.329 -0.806 1.00 0.00 C ATOM 0 H ALA A 82 -3.572 -6.097 0.492 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.633 -5.845 -2.275 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.159 -4.028 -1.311 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.885 -3.654 -1.088 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -1.928 -4.286 0.273 1.00 0.00 H new ATOM 1315 N VAL A 83 -0.649 -7.154 -1.929 1.00 0.00 N ATOM 1316 CA VAL A 83 0.558 -7.929 -1.823 1.00 0.00 C ATOM 1317 C VAL A 83 1.653 -7.058 -2.448 1.00 0.00 C ATOM 1318 O VAL A 83 1.578 -6.715 -3.637 1.00 0.00 O ATOM 1319 CB VAL A 83 0.453 -9.279 -2.602 1.00 0.00 C ATOM 1320 CG1 VAL A 83 1.729 -10.096 -2.463 1.00 0.00 C ATOM 1321 CG2 VAL A 83 -0.741 -10.091 -2.122 1.00 0.00 C ATOM 0 H VAL A 83 -0.994 -7.059 -2.884 1.00 0.00 H new ATOM 0 HA VAL A 83 0.761 -8.187 -0.784 1.00 0.00 H new ATOM 0 HB VAL A 83 0.312 -9.039 -3.656 1.00 0.00 H new ATOM 0 HG11 VAL A 83 1.625 -11.030 -3.016 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.570 -9.529 -2.863 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.908 -10.316 -1.410 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.793 -11.026 -2.679 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -0.630 -10.307 -1.059 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.657 -9.522 -2.283 1.00 0.00 H new ATOM 1331 N VAL A 84 2.580 -6.608 -1.659 1.00 0.00 N ATOM 1332 CA VAL A 84 3.649 -5.774 -2.161 1.00 0.00 C ATOM 1333 C VAL A 84 4.886 -6.687 -2.286 1.00 0.00 C ATOM 1334 O VAL A 84 4.919 -7.734 -1.621 1.00 0.00 O ATOM 1335 CB VAL A 84 3.983 -4.608 -1.145 1.00 0.00 C ATOM 1336 CG1 VAL A 84 2.731 -3.991 -0.596 1.00 0.00 C ATOM 1337 CG2 VAL A 84 4.927 -5.019 -0.020 1.00 0.00 C ATOM 0 H VAL A 84 2.625 -6.801 -0.658 1.00 0.00 H new ATOM 0 HA VAL A 84 3.363 -5.322 -3.111 1.00 0.00 H new ATOM 0 HB VAL A 84 4.520 -3.859 -1.726 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.993 -3.193 0.099 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.139 -3.580 -1.414 1.00 0.00 H new ATOM 0 HG13 VAL A 84 2.150 -4.751 -0.074 1.00 0.00 H new ATOM 0 HG21 VAL A 84 5.107 -4.166 0.634 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.477 -5.828 0.555 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.873 -5.357 -0.444 1.00 0.00 H new ATOM 1347 N GLU A 85 5.833 -6.362 -3.146 1.00 0.00 N ATOM 1348 CA GLU A 85 7.071 -7.141 -3.251 1.00 0.00 C ATOM 1349 C GLU A 85 8.157 -6.250 -3.801 1.00 0.00 C ATOM 1350 O GLU A 85 8.110 -5.828 -4.952 1.00 0.00 O ATOM 1351 CB GLU A 85 6.865 -8.406 -4.103 1.00 0.00 C ATOM 1352 CG GLU A 85 8.032 -9.405 -4.118 1.00 0.00 C ATOM 1353 CD GLU A 85 9.069 -9.171 -5.193 1.00 0.00 C ATOM 1354 OE1 GLU A 85 8.918 -9.738 -6.290 1.00 0.00 O ATOM 1355 OE2 GLU A 85 10.075 -8.503 -4.944 1.00 0.00 O ATOM 0 H GLU A 85 5.777 -5.568 -3.784 1.00 0.00 H new ATOM 0 HA GLU A 85 7.372 -7.491 -2.264 1.00 0.00 H new ATOM 0 HB2 GLU A 85 5.975 -8.922 -3.742 1.00 0.00 H new ATOM 0 HB3 GLU A 85 6.662 -8.100 -5.129 1.00 0.00 H new ATOM 0 HG2 GLU A 85 8.526 -9.376 -3.147 1.00 0.00 H new ATOM 0 HG3 GLU A 85 7.627 -10.410 -4.239 1.00 0.00 H new ATOM 1362 N LEU A 86 9.086 -5.898 -2.974 1.00 0.00 N ATOM 1363 CA LEU A 86 10.136 -5.018 -3.383 1.00 0.00 C ATOM 1364 C LEU A 86 11.374 -5.841 -3.758 1.00 0.00 C ATOM 1365 O LEU A 86 11.820 -6.664 -2.980 1.00 0.00 O ATOM 1366 CB LEU A 86 10.471 -4.049 -2.239 1.00 0.00 C ATOM 1367 CG LEU A 86 11.425 -2.900 -2.577 1.00 0.00 C ATOM 1368 CD1 LEU A 86 10.759 -1.884 -3.493 1.00 0.00 C ATOM 1369 CD2 LEU A 86 11.956 -2.238 -1.315 1.00 0.00 C ATOM 0 H LEU A 86 9.141 -6.208 -2.004 1.00 0.00 H new ATOM 0 HA LEU A 86 9.815 -4.442 -4.251 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.539 -3.622 -1.869 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.905 -4.624 -1.421 1.00 0.00 H new ATOM 0 HG LEU A 86 12.275 -3.321 -3.113 1.00 0.00 H new ATOM 0 HD11 LEU A 86 11.461 -1.080 -3.716 1.00 0.00 H new ATOM 0 HD12 LEU A 86 10.460 -2.372 -4.421 1.00 0.00 H new ATOM 0 HD13 LEU A 86 9.879 -1.471 -3.000 1.00 0.00 H new ATOM 0 HD21 LEU A 86 12.631 -1.426 -1.586 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.123 -1.840 -0.735 1.00 0.00 H new ATOM 0 HD23 LEU A 86 12.495 -2.973 -0.718 1.00 0.00 H new ATOM 1381 N PRO A 87 11.963 -5.612 -4.941 1.00 0.00 N ATOM 1382 CA PRO A 87 13.161 -6.339 -5.381 1.00 0.00 C ATOM 1383 C PRO A 87 14.442 -5.686 -4.843 1.00 0.00 C ATOM 1384 O PRO A 87 15.539 -5.847 -5.405 1.00 0.00 O ATOM 1385 CB PRO A 87 13.091 -6.193 -6.895 1.00 0.00 C ATOM 1386 CG PRO A 87 12.481 -4.859 -7.100 1.00 0.00 C ATOM 1387 CD PRO A 87 11.507 -4.661 -5.965 1.00 0.00 C ATOM 0 HA PRO A 87 13.189 -7.371 -5.031 1.00 0.00 H new ATOM 0 HB2 PRO A 87 14.081 -6.253 -7.348 1.00 0.00 H new ATOM 0 HB3 PRO A 87 12.487 -6.981 -7.344 1.00 0.00 H new ATOM 0 HG2 PRO A 87 13.242 -4.079 -7.100 1.00 0.00 H new ATOM 0 HG3 PRO A 87 11.972 -4.808 -8.063 1.00 0.00 H new ATOM 0 HD2 PRO A 87 11.526 -3.636 -5.596 1.00 0.00 H new ATOM 0 HD3 PRO A 87 10.483 -4.868 -6.276 1.00 0.00 H new ATOM 1395 N VAL A 88 14.280 -4.949 -3.777 1.00 0.00 N ATOM 1396 CA VAL A 88 15.341 -4.256 -3.112 1.00 0.00 C ATOM 1397 C VAL A 88 15.193 -4.619 -1.651 1.00 0.00 C ATOM 1398 O VAL A 88 14.077 -4.890 -1.208 1.00 0.00 O ATOM 1399 CB VAL A 88 15.229 -2.704 -3.273 1.00 0.00 C ATOM 1400 CG1 VAL A 88 16.491 -2.005 -2.791 1.00 0.00 C ATOM 1401 CG2 VAL A 88 14.900 -2.294 -4.706 1.00 0.00 C ATOM 0 H VAL A 88 13.371 -4.812 -3.335 1.00 0.00 H new ATOM 0 HA VAL A 88 16.305 -4.540 -3.534 1.00 0.00 H new ATOM 0 HB VAL A 88 14.398 -2.384 -2.644 1.00 0.00 H new ATOM 0 HG11 VAL A 88 16.381 -0.928 -2.916 1.00 0.00 H new ATOM 0 HG12 VAL A 88 16.653 -2.233 -1.738 1.00 0.00 H new ATOM 0 HG13 VAL A 88 17.344 -2.353 -3.373 1.00 0.00 H new ATOM 0 HG21 VAL A 88 14.833 -1.208 -4.767 1.00 0.00 H new ATOM 0 HG22 VAL A 88 15.685 -2.647 -5.375 1.00 0.00 H new ATOM 0 HG23 VAL A 88 13.947 -2.734 -5.001 1.00 0.00 H new ATOM 1411 N ASP A 89 16.277 -4.617 -0.925 1.00 0.00 N ATOM 1412 CA ASP A 89 16.294 -5.014 0.485 1.00 0.00 C ATOM 1413 C ASP A 89 15.450 -4.120 1.384 1.00 0.00 C ATOM 1414 O ASP A 89 15.283 -2.919 1.116 1.00 0.00 O ATOM 1415 CB ASP A 89 17.729 -5.113 1.014 1.00 0.00 C ATOM 1416 CG ASP A 89 18.450 -6.294 0.454 1.00 0.00 C ATOM 1417 OD1 ASP A 89 18.314 -7.404 1.006 1.00 0.00 O ATOM 1418 OD2 ASP A 89 19.135 -6.148 -0.579 1.00 0.00 O ATOM 0 H ASP A 89 17.190 -4.340 -1.285 1.00 0.00 H new ATOM 0 HA ASP A 89 15.833 -6.001 0.519 1.00 0.00 H new ATOM 0 HB2 ASP A 89 18.273 -4.203 0.761 1.00 0.00 H new ATOM 0 HB3 ASP A 89 17.711 -5.181 2.102 1.00 0.00 H new ATOM 1423 N PRO A 90 14.938 -4.689 2.521 1.00 0.00 N ATOM 1424 CA PRO A 90 14.082 -3.969 3.484 1.00 0.00 C ATOM 1425 C PRO A 90 14.819 -2.831 4.191 1.00 0.00 C ATOM 1426 O PRO A 90 14.223 -2.074 4.958 1.00 0.00 O ATOM 1427 CB PRO A 90 13.677 -5.049 4.497 1.00 0.00 C ATOM 1428 CG PRO A 90 14.741 -6.082 4.391 1.00 0.00 C ATOM 1429 CD PRO A 90 15.139 -6.100 2.947 1.00 0.00 C ATOM 0 HA PRO A 90 13.236 -3.495 2.986 1.00 0.00 H new ATOM 0 HB2 PRO A 90 13.618 -4.643 5.507 1.00 0.00 H new ATOM 0 HB3 PRO A 90 12.697 -5.464 4.263 1.00 0.00 H new ATOM 0 HG2 PRO A 90 15.590 -5.838 5.029 1.00 0.00 H new ATOM 0 HG3 PRO A 90 14.374 -7.058 4.709 1.00 0.00 H new ATOM 0 HD2 PRO A 90 16.174 -6.416 2.819 1.00 0.00 H new ATOM 0 HD3 PRO A 90 14.522 -6.787 2.368 1.00 0.00 H new ATOM 1437 N GLU A 91 16.116 -2.706 3.915 1.00 0.00 N ATOM 1438 CA GLU A 91 16.940 -1.635 4.458 1.00 0.00 C ATOM 1439 C GLU A 91 16.392 -0.299 3.974 1.00 0.00 C ATOM 1440 O GLU A 91 16.447 0.712 4.674 1.00 0.00 O ATOM 1441 CB GLU A 91 18.396 -1.783 4.003 1.00 0.00 C ATOM 1442 CG GLU A 91 18.574 -1.793 2.495 1.00 0.00 C ATOM 1443 CD GLU A 91 20.007 -1.690 2.076 1.00 0.00 C ATOM 1444 OE1 GLU A 91 20.670 -2.732 1.909 1.00 0.00 O ATOM 1445 OE2 GLU A 91 20.490 -0.556 1.878 1.00 0.00 O ATOM 0 H GLU A 91 16.624 -3.348 3.306 1.00 0.00 H new ATOM 0 HA GLU A 91 16.913 -1.685 5.547 1.00 0.00 H new ATOM 0 HB2 GLU A 91 18.982 -0.965 4.422 1.00 0.00 H new ATOM 0 HB3 GLU A 91 18.802 -2.708 4.413 1.00 0.00 H new ATOM 0 HG2 GLU A 91 18.148 -2.711 2.090 1.00 0.00 H new ATOM 0 HG3 GLU A 91 18.014 -0.964 2.063 1.00 0.00 H new ATOM 1452 N GLU A 92 15.794 -0.335 2.789 1.00 0.00 N ATOM 1453 CA GLU A 92 15.221 0.829 2.187 1.00 0.00 C ATOM 1454 C GLU A 92 14.052 1.321 2.976 1.00 0.00 C ATOM 1455 O GLU A 92 13.773 2.484 2.964 1.00 0.00 O ATOM 1456 CB GLU A 92 14.813 0.558 0.752 1.00 0.00 C ATOM 1457 CG GLU A 92 15.986 0.433 -0.183 1.00 0.00 C ATOM 1458 CD GLU A 92 16.754 1.722 -0.287 1.00 0.00 C ATOM 1459 OE1 GLU A 92 16.291 2.635 -1.004 1.00 0.00 O ATOM 1460 OE2 GLU A 92 17.823 1.849 0.349 1.00 0.00 O ATOM 0 H GLU A 92 15.701 -1.182 2.229 1.00 0.00 H new ATOM 0 HA GLU A 92 15.985 1.607 2.184 1.00 0.00 H new ATOM 0 HB2 GLU A 92 14.227 -0.360 0.715 1.00 0.00 H new ATOM 0 HB3 GLU A 92 14.165 1.364 0.407 1.00 0.00 H new ATOM 0 HG2 GLU A 92 16.649 -0.358 0.168 1.00 0.00 H new ATOM 0 HG3 GLU A 92 15.634 0.138 -1.172 1.00 0.00 H new ATOM 1467 N ILE A 93 13.417 0.438 3.716 1.00 0.00 N ATOM 1468 CA ILE A 93 12.249 0.792 4.488 1.00 0.00 C ATOM 1469 C ILE A 93 12.618 1.742 5.614 1.00 0.00 C ATOM 1470 O ILE A 93 11.885 2.666 5.891 1.00 0.00 O ATOM 1471 CB ILE A 93 11.497 -0.458 5.022 1.00 0.00 C ATOM 1472 CG1 ILE A 93 11.053 -1.346 3.845 1.00 0.00 C ATOM 1473 CG2 ILE A 93 10.292 -0.076 5.893 1.00 0.00 C ATOM 1474 CD1 ILE A 93 10.163 -0.639 2.827 1.00 0.00 C ATOM 0 H ILE A 93 13.695 -0.540 3.798 1.00 0.00 H new ATOM 0 HA ILE A 93 11.560 1.307 3.819 1.00 0.00 H new ATOM 0 HB ILE A 93 12.187 -1.016 5.655 1.00 0.00 H new ATOM 0 HG12 ILE A 93 11.939 -1.724 3.335 1.00 0.00 H new ATOM 0 HG13 ILE A 93 10.519 -2.211 4.239 1.00 0.00 H new ATOM 0 HG21 ILE A 93 9.796 -0.981 6.245 1.00 0.00 H new ATOM 0 HG22 ILE A 93 10.632 0.508 6.749 1.00 0.00 H new ATOM 0 HG23 ILE A 93 9.591 0.517 5.305 1.00 0.00 H new ATOM 0 HD11 ILE A 93 9.896 -1.335 2.032 1.00 0.00 H new ATOM 0 HD12 ILE A 93 9.257 -0.285 3.319 1.00 0.00 H new ATOM 0 HD13 ILE A 93 10.699 0.209 2.402 1.00 0.00 H new ATOM 1486 N GLU A 94 13.799 1.560 6.197 1.00 0.00 N ATOM 1487 CA GLU A 94 14.262 2.456 7.261 1.00 0.00 C ATOM 1488 C GLU A 94 14.405 3.857 6.678 1.00 0.00 C ATOM 1489 O GLU A 94 13.954 4.850 7.255 1.00 0.00 O ATOM 1490 CB GLU A 94 15.607 1.990 7.826 1.00 0.00 C ATOM 1491 CG GLU A 94 15.632 0.543 8.297 1.00 0.00 C ATOM 1492 CD GLU A 94 14.560 0.226 9.309 1.00 0.00 C ATOM 1493 OE1 GLU A 94 14.686 0.648 10.487 1.00 0.00 O ATOM 1494 OE2 GLU A 94 13.594 -0.476 8.957 1.00 0.00 O ATOM 0 H GLU A 94 14.449 0.811 5.957 1.00 0.00 H new ATOM 0 HA GLU A 94 13.538 2.452 8.076 1.00 0.00 H new ATOM 0 HB2 GLU A 94 16.372 2.122 7.061 1.00 0.00 H new ATOM 0 HB3 GLU A 94 15.877 2.635 8.662 1.00 0.00 H new ATOM 0 HG2 GLU A 94 15.514 -0.114 7.435 1.00 0.00 H new ATOM 0 HG3 GLU A 94 16.608 0.327 8.732 1.00 0.00 H new ATOM 1501 N ARG A 95 14.981 3.901 5.496 1.00 0.00 N ATOM 1502 CA ARG A 95 15.164 5.121 4.750 1.00 0.00 C ATOM 1503 C ARG A 95 13.801 5.696 4.304 1.00 0.00 C ATOM 1504 O ARG A 95 13.536 6.871 4.463 1.00 0.00 O ATOM 1505 CB ARG A 95 16.167 4.863 3.574 1.00 0.00 C ATOM 1506 CG ARG A 95 16.180 5.882 2.429 1.00 0.00 C ATOM 1507 CD ARG A 95 15.190 5.465 1.349 1.00 0.00 C ATOM 1508 NE ARG A 95 15.072 6.423 0.251 1.00 0.00 N ATOM 1509 CZ ARG A 95 14.685 6.098 -0.985 1.00 0.00 C ATOM 1510 NH1 ARG A 95 14.685 4.829 -1.378 1.00 0.00 N ATOM 1511 NH2 ARG A 95 14.397 7.048 -1.855 1.00 0.00 N ATOM 0 H ARG A 95 15.341 3.073 5.021 1.00 0.00 H new ATOM 0 HA ARG A 95 15.609 5.892 5.379 1.00 0.00 H new ATOM 0 HB2 ARG A 95 17.172 4.812 3.992 1.00 0.00 H new ATOM 0 HB3 ARG A 95 15.947 3.883 3.151 1.00 0.00 H new ATOM 0 HG2 ARG A 95 15.922 6.871 2.808 1.00 0.00 H new ATOM 0 HG3 ARG A 95 17.182 5.954 2.007 1.00 0.00 H new ATOM 0 HD2 ARG A 95 15.494 4.500 0.945 1.00 0.00 H new ATOM 0 HD3 ARG A 95 14.209 5.326 1.803 1.00 0.00 H new ATOM 0 HE ARG A 95 15.299 7.399 0.441 1.00 0.00 H new ATOM 0 HH11 ARG A 95 14.982 4.096 -0.734 1.00 0.00 H new ATOM 0 HH12 ARG A 95 14.388 4.588 -2.324 1.00 0.00 H new ATOM 0 HH21 ARG A 95 14.470 8.028 -1.583 1.00 0.00 H new ATOM 0 HH22 ARG A 95 14.101 6.802 -2.800 1.00 0.00 H new ATOM 1525 N ILE A 96 12.932 4.835 3.828 1.00 0.00 N ATOM 1526 CA ILE A 96 11.612 5.214 3.340 1.00 0.00 C ATOM 1527 C ILE A 96 10.705 5.656 4.491 1.00 0.00 C ATOM 1528 O ILE A 96 9.775 6.390 4.291 1.00 0.00 O ATOM 1529 CB ILE A 96 10.975 4.054 2.488 1.00 0.00 C ATOM 1530 CG1 ILE A 96 11.756 3.870 1.170 1.00 0.00 C ATOM 1531 CG2 ILE A 96 9.492 4.268 2.204 1.00 0.00 C ATOM 1532 CD1 ILE A 96 11.270 2.719 0.303 1.00 0.00 C ATOM 0 H ILE A 96 13.118 3.834 3.765 1.00 0.00 H new ATOM 0 HA ILE A 96 11.723 6.073 2.678 1.00 0.00 H new ATOM 0 HB ILE A 96 11.049 3.146 3.086 1.00 0.00 H new ATOM 0 HG12 ILE A 96 11.694 4.793 0.594 1.00 0.00 H new ATOM 0 HG13 ILE A 96 12.808 3.711 1.405 1.00 0.00 H new ATOM 0 HG21 ILE A 96 9.111 3.435 1.613 1.00 0.00 H new ATOM 0 HG22 ILE A 96 8.946 4.325 3.146 1.00 0.00 H new ATOM 0 HG23 ILE A 96 9.358 5.197 1.650 1.00 0.00 H new ATOM 0 HD11 ILE A 96 11.875 2.664 -0.602 1.00 0.00 H new ATOM 0 HD12 ILE A 96 11.359 1.784 0.856 1.00 0.00 H new ATOM 0 HD13 ILE A 96 10.227 2.883 0.032 1.00 0.00 H new ATOM 1544 N LEU A 97 11.019 5.236 5.699 1.00 0.00 N ATOM 1545 CA LEU A 97 10.252 5.641 6.861 1.00 0.00 C ATOM 1546 C LEU A 97 10.571 7.104 7.212 1.00 0.00 C ATOM 1547 O LEU A 97 9.747 7.818 7.778 1.00 0.00 O ATOM 1548 CB LEU A 97 10.551 4.721 8.046 1.00 0.00 C ATOM 1549 CG LEU A 97 9.677 4.908 9.283 1.00 0.00 C ATOM 1550 CD1 LEU A 97 8.225 4.600 8.960 1.00 0.00 C ATOM 1551 CD2 LEU A 97 10.165 4.031 10.416 1.00 0.00 C ATOM 0 H LEU A 97 11.801 4.614 5.903 1.00 0.00 H new ATOM 0 HA LEU A 97 9.190 5.561 6.631 1.00 0.00 H new ATOM 0 HB2 LEU A 97 10.454 3.688 7.711 1.00 0.00 H new ATOM 0 HB3 LEU A 97 11.592 4.865 8.337 1.00 0.00 H new ATOM 0 HG LEU A 97 9.747 5.949 9.599 1.00 0.00 H new ATOM 0 HD11 LEU A 97 7.616 4.739 9.853 1.00 0.00 H new ATOM 0 HD12 LEU A 97 7.876 5.272 8.176 1.00 0.00 H new ATOM 0 HD13 LEU A 97 8.139 3.568 8.619 1.00 0.00 H new ATOM 0 HD21 LEU A 97 9.530 4.178 11.289 1.00 0.00 H new ATOM 0 HD22 LEU A 97 10.125 2.986 10.110 1.00 0.00 H new ATOM 0 HD23 LEU A 97 11.192 4.297 10.666 1.00 0.00 H new ATOM 1563 N GLU A 98 11.766 7.533 6.856 1.00 0.00 N ATOM 1564 CA GLU A 98 12.205 8.905 7.070 1.00 0.00 C ATOM 1565 C GLU A 98 11.756 9.751 5.883 1.00 0.00 C ATOM 1566 O GLU A 98 11.246 10.855 6.029 1.00 0.00 O ATOM 1567 CB GLU A 98 13.733 8.935 7.186 1.00 0.00 C ATOM 1568 CG GLU A 98 14.337 10.313 7.432 1.00 0.00 C ATOM 1569 CD GLU A 98 13.805 10.986 8.670 1.00 0.00 C ATOM 1570 OE1 GLU A 98 14.281 10.686 9.789 1.00 0.00 O ATOM 1571 OE2 GLU A 98 12.925 11.847 8.549 1.00 0.00 O ATOM 0 H GLU A 98 12.465 6.940 6.408 1.00 0.00 H new ATOM 0 HA GLU A 98 11.772 9.302 7.988 1.00 0.00 H new ATOM 0 HB2 GLU A 98 14.033 8.274 7.999 1.00 0.00 H new ATOM 0 HB3 GLU A 98 14.159 8.527 6.270 1.00 0.00 H new ATOM 0 HG2 GLU A 98 15.420 10.217 7.516 1.00 0.00 H new ATOM 0 HG3 GLU A 98 14.139 10.948 6.568 1.00 0.00 H new ATOM 1578 N VAL A 99 11.903 9.178 4.723 1.00 0.00 N ATOM 1579 CA VAL A 99 11.547 9.791 3.449 1.00 0.00 C ATOM 1580 C VAL A 99 10.018 9.616 3.181 1.00 0.00 C ATOM 1581 O VAL A 99 9.498 9.979 2.129 1.00 0.00 O ATOM 1582 CB VAL A 99 12.435 9.118 2.329 1.00 0.00 C ATOM 1583 CG1 VAL A 99 12.116 9.605 0.920 1.00 0.00 C ATOM 1584 CG2 VAL A 99 13.906 9.380 2.617 1.00 0.00 C ATOM 0 H VAL A 99 12.286 8.238 4.621 1.00 0.00 H new ATOM 0 HA VAL A 99 11.740 10.864 3.456 1.00 0.00 H new ATOM 0 HB VAL A 99 12.208 8.052 2.359 1.00 0.00 H new ATOM 0 HG11 VAL A 99 12.765 9.099 0.205 1.00 0.00 H new ATOM 0 HG12 VAL A 99 11.075 9.383 0.685 1.00 0.00 H new ATOM 0 HG13 VAL A 99 12.280 10.681 0.861 1.00 0.00 H new ATOM 0 HG21 VAL A 99 14.517 8.915 1.843 1.00 0.00 H new ATOM 0 HG22 VAL A 99 14.089 10.454 2.627 1.00 0.00 H new ATOM 0 HG23 VAL A 99 14.167 8.959 3.588 1.00 0.00 H new ATOM 1594 N ALA A 100 9.320 9.115 4.190 1.00 0.00 N ATOM 1595 CA ALA A 100 7.891 8.811 4.138 1.00 0.00 C ATOM 1596 C ALA A 100 7.040 9.965 3.675 1.00 0.00 C ATOM 1597 O ALA A 100 6.385 9.889 2.638 1.00 0.00 O ATOM 1598 CB ALA A 100 7.403 8.325 5.487 1.00 0.00 C ATOM 0 H ALA A 100 9.741 8.902 5.094 1.00 0.00 H new ATOM 0 HA ALA A 100 7.782 8.024 3.392 1.00 0.00 H new ATOM 0 HB1 ALA A 100 6.337 8.103 5.430 1.00 0.00 H new ATOM 0 HB2 ALA A 100 7.947 7.423 5.767 1.00 0.00 H new ATOM 0 HB3 ALA A 100 7.573 9.099 6.236 1.00 0.00 H new ATOM 1604 N GLU A 101 7.082 11.029 4.396 1.00 0.00 N ATOM 1605 CA GLU A 101 6.263 12.147 4.078 1.00 0.00 C ATOM 1606 C GLU A 101 6.953 13.161 3.163 1.00 0.00 C ATOM 1607 O GLU A 101 6.339 13.588 2.173 1.00 0.00 O ATOM 1608 CB GLU A 101 5.643 12.756 5.336 1.00 0.00 C ATOM 1609 CG GLU A 101 4.804 11.740 6.112 1.00 0.00 C ATOM 1610 CD GLU A 101 4.102 12.328 7.295 1.00 0.00 C ATOM 1611 OE1 GLU A 101 3.022 12.910 7.112 1.00 0.00 O ATOM 1612 OE2 GLU A 101 4.610 12.225 8.431 1.00 0.00 O ATOM 0 H GLU A 101 7.678 11.150 5.215 1.00 0.00 H new ATOM 0 HA GLU A 101 5.431 11.779 3.478 1.00 0.00 H new ATOM 0 HB2 GLU A 101 6.434 13.140 5.980 1.00 0.00 H new ATOM 0 HB3 GLU A 101 5.018 13.605 5.058 1.00 0.00 H new ATOM 0 HG2 GLU A 101 4.065 11.302 5.441 1.00 0.00 H new ATOM 0 HG3 GLU A 101 5.449 10.928 6.448 1.00 0.00 H new ATOM 1619 N PRO A 102 8.209 13.590 3.435 1.00 0.00 N ATOM 1620 CA PRO A 102 8.891 14.499 2.573 1.00 0.00 C ATOM 1621 C PRO A 102 9.926 13.788 1.658 1.00 0.00 C ATOM 1622 O PRO A 102 9.539 13.311 0.562 1.00 0.00 O ATOM 1623 CB PRO A 102 9.559 15.450 3.570 1.00 0.00 C ATOM 1624 CG PRO A 102 9.642 14.686 4.871 1.00 0.00 C ATOM 1625 CD PRO A 102 9.030 13.331 4.619 1.00 0.00 C ATOM 1626 OXT PRO A 102 11.130 13.709 2.021 1.00 0.00 O ATOM 0 HA PRO A 102 8.230 15.001 1.867 1.00 0.00 H new ATOM 0 HB2 PRO A 102 10.550 15.745 3.226 1.00 0.00 H new ATOM 0 HB3 PRO A 102 8.977 16.364 3.689 1.00 0.00 H new ATOM 0 HG2 PRO A 102 10.678 14.588 5.197 1.00 0.00 H new ATOM 0 HG3 PRO A 102 9.107 15.211 5.663 1.00 0.00 H new ATOM 0 HD2 PRO A 102 9.787 12.569 4.433 1.00 0.00 H new ATOM 0 HD3 PRO A 102 8.433 12.988 5.464 1.00 0.00 H new TER 1634 PRO A 102