USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 585 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 SER OG : rot -110:sc= 1.18 USER MOD Single : A 3 GLN : amide:sc= -0.484 X(o=-0.48,f=-0.61) USER MOD Single : A 8 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00144) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 0.952 K(o=0.95,f=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.00362 USER MOD Single : A 28 TYR OH : rot 49:sc= 0.0663 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.0103 K(o=-0.01,f=-2.3!) USER MOD Single : A 35 THR OG1 : rot -65:sc= 0.97 USER MOD Single : A 39 ASN : amide:sc= -0.242 K(o=-0.24,f=-2.9!) USER MOD Single : A 41 LYS NZ :NH3+ -152:sc= 1.21 (180deg=0.656) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.588 K(o=-0.59,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -140:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.0381 X(o=-0.038,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 135:sc= 2.46 (180deg=1.21) USER MOD Single : A 73 TYR OH : rot 15:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 165:sc= 0.0544 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 19 N SER A 2 -10.660 9.193 0.036 1.00 0.00 N ATOM 20 CA SER A 2 -9.527 9.231 0.908 1.00 0.00 C ATOM 21 C SER A 2 -9.722 8.538 2.213 1.00 0.00 C ATOM 22 O SER A 2 -8.757 8.128 2.856 1.00 0.00 O ATOM 23 CB SER A 2 -9.109 10.677 1.223 1.00 0.00 C ATOM 24 OG SER A 2 -9.292 11.525 0.098 1.00 0.00 O ATOM 0 HA SER A 2 -8.756 8.700 0.350 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.694 11.052 2.063 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.063 10.697 1.529 1.00 0.00 H new ATOM 0 HG SER A 2 -8.418 11.792 -0.256 1.00 0.00 H new ATOM 30 N GLN A 3 -10.974 8.366 2.673 1.00 0.00 N ATOM 31 CA GLN A 3 -11.273 7.654 3.878 1.00 0.00 C ATOM 32 C GLN A 3 -11.377 6.197 3.589 1.00 0.00 C ATOM 33 O GLN A 3 -10.814 5.345 4.275 1.00 0.00 O ATOM 34 CB GLN A 3 -12.581 8.083 4.562 1.00 0.00 C ATOM 35 CG GLN A 3 -12.661 9.548 5.000 1.00 0.00 C ATOM 36 CD GLN A 3 -12.830 10.495 3.821 1.00 0.00 C ATOM 37 OE1 GLN A 3 -13.679 10.307 2.952 1.00 0.00 O ATOM 38 NE2 GLN A 3 -11.955 11.534 3.756 1.00 0.00 N ATOM 0 H GLN A 3 -11.799 8.730 2.196 1.00 0.00 H new ATOM 0 HA GLN A 3 -10.454 7.886 4.558 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -13.407 7.883 3.880 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -12.732 7.454 5.439 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -13.498 9.674 5.687 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -11.756 9.811 5.548 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -11.262 11.664 4.493 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -11.992 12.184 2.970 1.00 0.00 H new ATOM 47 N LEU A 4 -12.084 5.891 2.487 1.00 0.00 N ATOM 48 CA LEU A 4 -12.350 4.605 1.920 1.00 0.00 C ATOM 49 C LEU A 4 -11.084 3.840 1.732 1.00 0.00 C ATOM 50 O LEU A 4 -10.953 2.670 2.089 1.00 0.00 O ATOM 51 CB LEU A 4 -12.918 4.753 0.499 1.00 0.00 C ATOM 52 CG LEU A 4 -13.217 3.401 -0.171 1.00 0.00 C ATOM 53 CD1 LEU A 4 -14.287 2.615 0.607 1.00 0.00 C ATOM 54 CD2 LEU A 4 -13.726 3.631 -1.603 1.00 0.00 C ATOM 0 H LEU A 4 -12.517 6.630 1.933 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.041 4.105 2.599 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -13.834 5.343 0.539 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -12.208 5.307 -0.115 1.00 0.00 H new ATOM 0 HG LEU A 4 -12.292 2.825 -0.182 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -14.475 1.665 0.108 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -13.935 2.428 1.622 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -15.209 3.195 0.644 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -13.936 2.670 -2.073 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -14.638 4.228 -1.574 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -12.966 4.158 -2.179 1.00 0.00 H new ATOM 66 N PHE A 5 -10.109 4.580 1.177 1.00 0.00 N ATOM 67 CA PHE A 5 -8.752 4.214 0.912 1.00 0.00 C ATOM 68 C PHE A 5 -8.163 3.471 2.061 1.00 0.00 C ATOM 69 O PHE A 5 -7.648 2.365 1.910 1.00 0.00 O ATOM 70 CB PHE A 5 -8.050 5.536 0.561 1.00 0.00 C ATOM 71 CG PHE A 5 -6.561 5.481 0.577 1.00 0.00 C ATOM 72 CD1 PHE A 5 -5.891 5.712 1.755 1.00 0.00 C ATOM 73 CD2 PHE A 5 -5.852 5.174 -0.561 1.00 0.00 C ATOM 74 CE1 PHE A 5 -4.526 5.557 1.824 1.00 0.00 C ATOM 75 CE2 PHE A 5 -4.486 5.024 -0.511 1.00 0.00 C ATOM 76 CZ PHE A 5 -3.835 5.214 0.685 1.00 0.00 C ATOM 0 H PHE A 5 -10.294 5.539 0.883 1.00 0.00 H new ATOM 0 HA PHE A 5 -8.642 3.513 0.085 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -8.376 5.852 -0.430 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.378 6.302 1.264 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -6.441 6.018 2.633 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -6.371 5.050 -1.500 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -4.004 5.702 2.758 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -3.932 4.760 -1.400 1.00 0.00 H new ATOM 0 HZ PHE A 5 -2.763 5.092 0.731 1.00 0.00 H new ATOM 86 N GLU A 6 -8.313 4.008 3.286 1.00 0.00 N ATOM 87 CA GLU A 6 -7.758 3.407 4.457 1.00 0.00 C ATOM 88 C GLU A 6 -8.583 2.278 4.972 1.00 0.00 C ATOM 89 O GLU A 6 -8.023 1.261 5.380 1.00 0.00 O ATOM 90 CB GLU A 6 -7.460 4.408 5.587 1.00 0.00 C ATOM 91 CG GLU A 6 -6.084 5.062 5.438 1.00 0.00 C ATOM 92 CD GLU A 6 -5.623 5.768 6.705 1.00 0.00 C ATOM 93 OE1 GLU A 6 -5.683 5.143 7.797 1.00 0.00 O ATOM 94 OE2 GLU A 6 -5.178 6.945 6.627 1.00 0.00 O ATOM 0 H GLU A 6 -8.827 4.871 3.465 1.00 0.00 H new ATOM 0 HA GLU A 6 -6.801 3.006 4.124 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -8.228 5.181 5.596 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -7.514 3.895 6.547 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -5.353 4.301 5.166 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -6.116 5.780 4.619 1.00 0.00 H new ATOM 101 N GLU A 7 -9.926 2.360 4.961 1.00 0.00 N ATOM 102 CA GLU A 7 -10.730 1.318 5.522 1.00 0.00 C ATOM 103 C GLU A 7 -10.617 0.027 4.787 1.00 0.00 C ATOM 104 O GLU A 7 -10.569 -1.060 5.361 1.00 0.00 O ATOM 105 CB GLU A 7 -12.231 1.644 5.589 1.00 0.00 C ATOM 106 CG GLU A 7 -12.531 3.132 5.788 1.00 0.00 C ATOM 107 CD GLU A 7 -13.890 3.327 6.443 1.00 0.00 C ATOM 108 OE1 GLU A 7 -13.963 3.230 7.697 1.00 0.00 O ATOM 109 OE2 GLU A 7 -14.911 3.520 5.729 1.00 0.00 O ATOM 0 H GLU A 7 -10.452 3.140 4.567 1.00 0.00 H new ATOM 0 HA GLU A 7 -10.325 1.230 6.530 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -12.708 1.306 4.669 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -12.680 1.080 6.406 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -11.756 3.584 6.407 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -12.509 3.644 4.826 1.00 0.00 H new ATOM 116 N LYS A 8 -10.570 0.135 3.448 1.00 0.00 N ATOM 117 CA LYS A 8 -10.405 -0.967 2.552 1.00 0.00 C ATOM 118 C LYS A 8 -8.979 -1.369 2.394 1.00 0.00 C ATOM 119 O LYS A 8 -8.705 -2.547 2.167 1.00 0.00 O ATOM 120 CB LYS A 8 -11.068 -0.654 1.200 1.00 0.00 C ATOM 121 CG LYS A 8 -12.553 -0.293 1.268 1.00 0.00 C ATOM 122 CD LYS A 8 -13.452 -1.339 1.931 1.00 0.00 C ATOM 123 CE LYS A 8 -14.927 -0.942 2.025 1.00 0.00 C ATOM 124 NZ LYS A 8 -15.619 -1.027 0.720 1.00 0.00 N ATOM 0 H LYS A 8 -10.651 1.031 2.968 1.00 0.00 H new ATOM 0 HA LYS A 8 -10.907 -1.829 2.991 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -10.531 0.172 0.733 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -10.951 -1.519 0.548 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -12.657 0.647 1.810 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -12.914 -0.118 0.255 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -13.375 -2.272 1.373 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -13.078 -1.537 2.935 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -15.430 -1.590 2.743 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -15.003 0.076 2.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -16.610 -0.732 0.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -15.147 -0.402 0.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -15.587 -2.007 0.373 1.00 0.00 H new ATOM 138 N ALA A 9 -7.988 -0.476 2.560 1.00 0.00 N ATOM 139 CA ALA A 9 -6.610 -0.856 2.551 1.00 0.00 C ATOM 140 C ALA A 9 -6.217 -1.774 3.656 1.00 0.00 C ATOM 141 O ALA A 9 -5.535 -2.784 3.487 1.00 0.00 O ATOM 142 CB ALA A 9 -5.662 0.345 2.710 1.00 0.00 C ATOM 0 H ALA A 9 -8.144 0.522 2.702 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.515 -1.346 1.582 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.629 -0.003 2.696 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -5.820 1.045 1.889 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.864 0.845 3.657 1.00 0.00 H new ATOM 148 N LYS A 10 -6.684 -1.428 4.869 1.00 0.00 N ATOM 149 CA LYS A 10 -6.540 -2.203 6.063 1.00 0.00 C ATOM 150 C LYS A 10 -7.192 -3.539 5.967 1.00 0.00 C ATOM 151 O LYS A 10 -6.750 -4.491 6.607 1.00 0.00 O ATOM 152 CB LYS A 10 -7.185 -1.404 7.209 1.00 0.00 C ATOM 153 CG LYS A 10 -6.369 -0.213 7.714 1.00 0.00 C ATOM 154 CD LYS A 10 -7.054 0.491 8.886 1.00 0.00 C ATOM 155 CE LYS A 10 -6.352 1.771 9.342 1.00 0.00 C ATOM 156 NZ LYS A 10 -7.017 2.341 10.535 1.00 0.00 N ATOM 0 H LYS A 10 -7.191 -0.557 5.025 1.00 0.00 H new ATOM 0 HA LYS A 10 -5.479 -2.385 6.234 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.158 -1.042 6.875 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -7.366 -2.080 8.045 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.381 -0.555 8.023 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.221 0.497 6.900 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.078 0.732 8.602 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.111 -0.199 9.728 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.308 1.557 9.570 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.358 2.502 8.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.523 3.209 10.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.007 2.566 10.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.989 1.650 11.312 1.00 0.00 H new ATOM 170 N ALA A 11 -8.234 -3.674 5.126 1.00 0.00 N ATOM 171 CA ALA A 11 -8.830 -4.930 4.793 1.00 0.00 C ATOM 172 C ALA A 11 -7.929 -5.719 3.907 1.00 0.00 C ATOM 173 O ALA A 11 -7.516 -6.814 4.287 1.00 0.00 O ATOM 174 CB ALA A 11 -10.204 -4.778 4.118 1.00 0.00 C ATOM 0 H ALA A 11 -8.676 -2.881 4.662 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.981 -5.457 5.735 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.608 -5.764 3.888 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -10.884 -4.255 4.791 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -10.095 -4.207 3.196 1.00 0.00 H new ATOM 180 N VAL A 12 -7.544 -5.219 2.718 1.00 0.00 N ATOM 181 CA VAL A 12 -6.866 -5.969 1.707 1.00 0.00 C ATOM 182 C VAL A 12 -5.542 -6.497 2.143 1.00 0.00 C ATOM 183 O VAL A 12 -5.151 -7.600 1.766 1.00 0.00 O ATOM 184 CB VAL A 12 -6.767 -5.269 0.384 1.00 0.00 C ATOM 185 CG1 VAL A 12 -8.199 -5.068 -0.138 1.00 0.00 C ATOM 186 CG2 VAL A 12 -5.983 -3.947 0.446 1.00 0.00 C ATOM 0 H VAL A 12 -7.713 -4.249 2.451 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.515 -6.830 1.548 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.191 -5.887 -0.304 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.167 -4.560 -1.102 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.683 -6.038 -0.255 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.764 -4.464 0.572 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.952 -3.496 -0.546 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.474 -3.265 1.140 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.967 -4.142 0.788 1.00 0.00 H new ATOM 196 N ASN A 13 -4.842 -5.781 3.041 1.00 0.00 N ATOM 197 CA ASN A 13 -3.595 -6.256 3.556 1.00 0.00 C ATOM 198 C ASN A 13 -3.723 -7.419 4.479 1.00 0.00 C ATOM 199 O ASN A 13 -2.770 -8.174 4.668 1.00 0.00 O ATOM 200 CB ASN A 13 -2.828 -5.128 4.266 1.00 0.00 C ATOM 201 CG ASN A 13 -2.161 -4.232 3.232 1.00 0.00 C ATOM 202 OD1 ASN A 13 -1.089 -4.555 2.724 1.00 0.00 O ATOM 203 ND2 ASN A 13 -2.791 -3.075 2.899 1.00 0.00 N ATOM 0 H ASN A 13 -5.138 -4.877 3.409 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.040 -6.601 2.684 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -3.511 -4.543 4.882 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -2.077 -5.550 4.934 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.375 -2.448 2.211 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -3.680 -2.834 3.338 1.00 0.00 H new ATOM 210 N GLU A 14 -4.912 -7.627 5.071 1.00 0.00 N ATOM 211 CA GLU A 14 -5.175 -8.643 6.041 1.00 0.00 C ATOM 212 C GLU A 14 -6.349 -9.483 5.673 1.00 0.00 C ATOM 213 O GLU A 14 -6.946 -10.143 6.523 1.00 0.00 O ATOM 214 CB GLU A 14 -5.365 -8.009 7.430 1.00 0.00 C ATOM 215 CG GLU A 14 -4.043 -7.542 8.044 1.00 0.00 C ATOM 216 CD GLU A 14 -4.187 -7.030 9.470 1.00 0.00 C ATOM 217 OE1 GLU A 14 -4.711 -7.771 10.344 1.00 0.00 O ATOM 218 OE2 GLU A 14 -3.744 -5.881 9.738 1.00 0.00 O ATOM 0 H GLU A 14 -5.732 -7.057 4.862 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.311 -9.307 6.068 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.045 -7.161 7.349 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.836 -8.733 8.095 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -3.333 -8.369 8.033 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.621 -6.752 7.423 1.00 0.00 H new ATOM 225 N LEU A 15 -6.730 -9.565 4.386 1.00 0.00 N ATOM 226 CA LEU A 15 -7.790 -10.404 3.921 1.00 0.00 C ATOM 227 C LEU A 15 -7.390 -11.839 3.963 1.00 0.00 C ATOM 228 O LEU A 15 -6.195 -12.131 3.979 1.00 0.00 O ATOM 229 CB LEU A 15 -8.228 -9.964 2.514 1.00 0.00 C ATOM 230 CG LEU A 15 -9.377 -8.943 2.462 1.00 0.00 C ATOM 231 CD1 LEU A 15 -9.697 -8.535 1.014 1.00 0.00 C ATOM 232 CD2 LEU A 15 -10.694 -9.402 3.110 1.00 0.00 C ATOM 0 H LEU A 15 -6.284 -9.028 3.642 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.648 -10.298 4.585 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.365 -9.539 2.001 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.528 -10.849 1.953 1.00 0.00 H new ATOM 0 HG LEU A 15 -8.996 -8.106 3.046 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -10.513 -7.813 1.011 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.814 -8.086 0.559 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.991 -9.416 0.444 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -11.439 -8.611 3.020 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -11.054 -10.299 2.606 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -10.524 -9.622 4.164 1.00 0.00 H new ATOM 244 N PRO A 16 -8.265 -12.798 4.016 1.00 0.00 N ATOM 245 CA PRO A 16 -7.906 -14.184 4.094 1.00 0.00 C ATOM 246 C PRO A 16 -7.421 -14.677 2.774 1.00 0.00 C ATOM 247 O PRO A 16 -6.663 -15.644 2.710 1.00 0.00 O ATOM 248 CB PRO A 16 -9.211 -14.878 4.479 1.00 0.00 C ATOM 249 CG PRO A 16 -10.313 -14.012 3.849 1.00 0.00 C ATOM 250 CD PRO A 16 -9.699 -12.603 3.870 1.00 0.00 C ATOM 0 HA PRO A 16 -7.101 -14.371 4.805 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -9.244 -15.899 4.099 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -9.324 -14.937 5.562 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -10.549 -14.334 2.835 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -11.239 -14.057 4.422 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -9.929 -12.063 2.952 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.100 -12.014 4.695 1.00 0.00 H new ATOM 258 N THR A 17 -7.841 -14.008 1.687 1.00 0.00 N ATOM 259 CA THR A 17 -7.348 -14.209 0.360 1.00 0.00 C ATOM 260 C THR A 17 -6.486 -13.013 0.149 1.00 0.00 C ATOM 261 O THR A 17 -6.881 -11.976 -0.380 1.00 0.00 O ATOM 262 CB THR A 17 -8.467 -14.349 -0.630 1.00 0.00 C ATOM 263 OG1 THR A 17 -9.299 -15.442 -0.276 1.00 0.00 O ATOM 264 CG2 THR A 17 -7.958 -14.643 -2.052 1.00 0.00 C ATOM 0 H THR A 17 -8.563 -13.289 1.736 1.00 0.00 H new ATOM 0 HA THR A 17 -6.791 -15.135 0.222 1.00 0.00 H new ATOM 0 HB THR A 17 -9.003 -13.400 -0.614 1.00 0.00 H new ATOM 0 HG1 THR A 17 -10.027 -15.523 -0.927 1.00 0.00 H new ATOM 0 HG21 THR A 17 -8.806 -14.735 -2.730 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.315 -13.828 -2.384 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.392 -15.574 -2.050 1.00 0.00 H new ATOM 272 N LYS A 18 -5.256 -13.094 0.687 1.00 0.00 N ATOM 273 CA LYS A 18 -4.263 -12.065 0.686 1.00 0.00 C ATOM 274 C LYS A 18 -3.866 -11.595 -0.672 1.00 0.00 C ATOM 275 O LYS A 18 -4.044 -12.351 -1.627 1.00 0.00 O ATOM 276 CB LYS A 18 -3.009 -12.560 1.428 1.00 0.00 C ATOM 277 CG LYS A 18 -3.191 -12.890 2.910 1.00 0.00 C ATOM 278 CD LYS A 18 -1.839 -13.303 3.496 1.00 0.00 C ATOM 279 CE LYS A 18 -1.836 -13.908 4.902 1.00 0.00 C ATOM 280 NZ LYS A 18 -2.127 -12.906 5.951 1.00 0.00 N ATOM 0 H LYS A 18 -4.933 -13.940 1.156 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.718 -11.212 1.189 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.640 -13.451 0.921 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.234 -11.798 1.339 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.584 -12.025 3.443 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.916 -13.695 3.031 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.384 -14.025 2.818 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.194 -12.425 3.506 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.576 -14.707 4.952 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.864 -14.361 5.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.113 -13.366 6.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.407 -12.156 5.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.066 -12.491 5.784 1.00 0.00 H new ATOM 294 N PRO A 19 -3.335 -10.429 -0.886 1.00 0.00 N ATOM 295 CA PRO A 19 -3.108 -9.907 -2.202 1.00 0.00 C ATOM 296 C PRO A 19 -2.049 -10.660 -2.931 1.00 0.00 C ATOM 297 O PRO A 19 -1.147 -11.188 -2.284 1.00 0.00 O ATOM 298 CB PRO A 19 -2.682 -8.453 -2.008 1.00 0.00 C ATOM 299 CG PRO A 19 -3.109 -8.101 -0.574 1.00 0.00 C ATOM 300 CD PRO A 19 -2.984 -9.457 0.139 1.00 0.00 C ATOM 0 HA PRO A 19 -4.011 -9.997 -2.806 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.606 -8.336 -2.139 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -3.165 -7.800 -2.735 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.462 -7.345 -0.129 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.126 -7.712 -0.535 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.973 -9.619 0.513 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -3.655 -9.521 0.996 1.00 0.00 H new ATOM 308 N SER A 20 -2.105 -10.774 -4.270 1.00 0.00 N ATOM 309 CA SER A 20 -1.107 -11.457 -5.034 1.00 0.00 C ATOM 310 C SER A 20 0.187 -10.723 -5.104 1.00 0.00 C ATOM 311 O SER A 20 0.206 -9.494 -5.154 1.00 0.00 O ATOM 312 CB SER A 20 -1.571 -11.793 -6.461 1.00 0.00 C ATOM 313 OG SER A 20 -0.701 -12.706 -7.114 1.00 0.00 O ATOM 0 H SER A 20 -2.860 -10.383 -4.834 1.00 0.00 H new ATOM 0 HA SER A 20 -0.945 -12.387 -4.489 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.575 -12.216 -6.423 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.634 -10.875 -7.045 1.00 0.00 H new ATOM 0 HG SER A 20 -1.037 -12.890 -8.016 1.00 0.00 H new ATOM 319 N THR A 21 1.319 -11.452 -5.118 1.00 0.00 N ATOM 320 CA THR A 21 2.681 -11.043 -4.965 1.00 0.00 C ATOM 321 C THR A 21 3.068 -9.730 -5.554 1.00 0.00 C ATOM 322 O THR A 21 3.518 -8.818 -4.863 1.00 0.00 O ATOM 323 CB THR A 21 3.641 -12.082 -5.462 1.00 0.00 C ATOM 324 OG1 THR A 21 3.419 -13.340 -4.840 1.00 0.00 O ATOM 325 CG2 THR A 21 5.099 -11.720 -5.135 1.00 0.00 C ATOM 0 H THR A 21 1.265 -12.461 -5.255 1.00 0.00 H new ATOM 0 HA THR A 21 2.749 -10.916 -3.885 1.00 0.00 H new ATOM 0 HB THR A 21 3.475 -12.129 -6.538 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.060 -13.995 -5.188 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.761 -12.499 -5.513 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.352 -10.770 -5.605 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.219 -11.634 -4.055 1.00 0.00 H new ATOM 333 N ASP A 22 2.911 -9.571 -6.881 1.00 0.00 N ATOM 334 CA ASP A 22 3.349 -8.427 -7.619 1.00 0.00 C ATOM 335 C ASP A 22 2.339 -7.332 -7.564 1.00 0.00 C ATOM 336 O ASP A 22 2.660 -6.146 -7.515 1.00 0.00 O ATOM 337 CB ASP A 22 3.615 -8.819 -9.083 1.00 0.00 C ATOM 338 CG ASP A 22 4.507 -10.049 -9.150 1.00 0.00 C ATOM 339 OD1 ASP A 22 5.755 -9.924 -9.023 1.00 0.00 O ATOM 340 OD2 ASP A 22 3.954 -11.165 -9.341 1.00 0.00 O ATOM 0 H ASP A 22 2.458 -10.273 -7.466 1.00 0.00 H new ATOM 0 HA ASP A 22 4.271 -8.063 -7.166 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.671 -9.019 -9.590 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.089 -7.989 -9.608 1.00 0.00 H new ATOM 345 N GLU A 23 1.047 -7.698 -7.504 1.00 0.00 N ATOM 346 CA GLU A 23 -0.067 -6.805 -7.440 1.00 0.00 C ATOM 347 C GLU A 23 -0.087 -6.067 -6.146 1.00 0.00 C ATOM 348 O GLU A 23 -0.329 -4.862 -6.094 1.00 0.00 O ATOM 349 CB GLU A 23 -1.359 -7.589 -7.728 1.00 0.00 C ATOM 350 CG GLU A 23 -1.443 -7.995 -9.200 1.00 0.00 C ATOM 351 CD GLU A 23 -2.423 -9.116 -9.510 1.00 0.00 C ATOM 352 OE1 GLU A 23 -3.593 -9.080 -9.041 1.00 0.00 O ATOM 353 OE2 GLU A 23 -2.030 -10.044 -10.266 1.00 0.00 O ATOM 0 H GLU A 23 0.764 -8.678 -7.500 1.00 0.00 H new ATOM 0 HA GLU A 23 0.022 -6.035 -8.207 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.395 -8.479 -7.100 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.224 -6.979 -7.466 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.721 -7.119 -9.786 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.451 -8.300 -9.533 1.00 0.00 H new ATOM 360 N LEU A 24 0.298 -6.733 -5.041 1.00 0.00 N ATOM 361 CA LEU A 24 0.605 -6.174 -3.763 1.00 0.00 C ATOM 362 C LEU A 24 1.569 -5.038 -3.781 1.00 0.00 C ATOM 363 O LEU A 24 1.467 -4.130 -2.958 1.00 0.00 O ATOM 364 CB LEU A 24 1.157 -7.327 -2.908 1.00 0.00 C ATOM 365 CG LEU A 24 1.100 -7.191 -1.377 1.00 0.00 C ATOM 366 CD1 LEU A 24 1.047 -8.618 -0.808 1.00 0.00 C ATOM 367 CD2 LEU A 24 2.298 -6.443 -0.767 1.00 0.00 C ATOM 0 H LEU A 24 0.402 -7.748 -5.046 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.308 -5.737 -3.358 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.616 -8.233 -3.182 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.199 -7.481 -3.190 1.00 0.00 H new ATOM 0 HG LEU A 24 0.224 -6.596 -1.120 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.005 -8.574 0.280 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.160 -9.127 -1.185 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.938 -9.166 -1.115 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.181 -6.390 0.315 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.219 -6.974 -1.007 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.344 -5.434 -1.177 1.00 0.00 H new ATOM 379 N LEU A 25 2.530 -4.988 -4.721 1.00 0.00 N ATOM 380 CA LEU A 25 3.487 -3.929 -4.808 1.00 0.00 C ATOM 381 C LEU A 25 2.894 -2.638 -5.259 1.00 0.00 C ATOM 382 O LEU A 25 3.203 -1.576 -4.721 1.00 0.00 O ATOM 383 CB LEU A 25 4.707 -4.397 -5.620 1.00 0.00 C ATOM 384 CG LEU A 25 4.901 -3.908 -7.064 1.00 0.00 C ATOM 385 CD1 LEU A 25 5.577 -2.527 -7.117 1.00 0.00 C ATOM 386 CD2 LEU A 25 5.773 -4.915 -7.834 1.00 0.00 C ATOM 0 H LEU A 25 2.645 -5.703 -5.439 1.00 0.00 H new ATOM 0 HA LEU A 25 3.844 -3.696 -3.805 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.598 -4.114 -5.059 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.680 -5.486 -5.647 1.00 0.00 H new ATOM 0 HG LEU A 25 3.914 -3.824 -7.518 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.695 -2.219 -8.156 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.959 -1.799 -6.591 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.556 -2.583 -6.642 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.911 -4.568 -8.858 1.00 0.00 H new ATOM 0 HD22 LEU A 25 6.744 -5.003 -7.347 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.283 -5.888 -7.843 1.00 0.00 H new ATOM 398 N GLU A 26 1.953 -2.695 -6.218 1.00 0.00 N ATOM 399 CA GLU A 26 1.188 -1.569 -6.658 1.00 0.00 C ATOM 400 C GLU A 26 0.301 -1.059 -5.575 1.00 0.00 C ATOM 401 O GLU A 26 0.243 0.131 -5.272 1.00 0.00 O ATOM 402 CB GLU A 26 0.341 -1.956 -7.881 1.00 0.00 C ATOM 403 CG GLU A 26 -0.254 -0.769 -8.642 1.00 0.00 C ATOM 404 CD GLU A 26 0.722 -0.189 -9.656 1.00 0.00 C ATOM 405 OE1 GLU A 26 1.011 -0.891 -10.662 1.00 0.00 O ATOM 406 OE2 GLU A 26 1.164 0.981 -9.512 1.00 0.00 O ATOM 0 H GLU A 26 1.715 -3.559 -6.706 1.00 0.00 H new ATOM 0 HA GLU A 26 1.884 -0.776 -6.930 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.959 -2.538 -8.566 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.471 -2.606 -7.554 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.162 -1.086 -9.155 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.543 0.007 -7.933 1.00 0.00 H new ATOM 413 N LEU A 27 -0.402 -1.980 -4.892 1.00 0.00 N ATOM 414 CA LEU A 27 -1.304 -1.700 -3.818 1.00 0.00 C ATOM 415 C LEU A 27 -0.624 -1.157 -2.609 1.00 0.00 C ATOM 416 O LEU A 27 -1.166 -0.292 -1.924 1.00 0.00 O ATOM 417 CB LEU A 27 -2.122 -2.956 -3.472 1.00 0.00 C ATOM 418 CG LEU A 27 -3.382 -3.188 -4.323 1.00 0.00 C ATOM 419 CD1 LEU A 27 -4.476 -2.149 -4.023 1.00 0.00 C ATOM 420 CD2 LEU A 27 -3.162 -3.278 -5.842 1.00 0.00 C ATOM 0 H LEU A 27 -0.337 -2.976 -5.101 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.977 -0.915 -4.164 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.474 -3.827 -3.570 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.419 -2.896 -2.425 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.707 -4.181 -4.013 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.348 -2.349 -4.645 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.758 -2.211 -2.972 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.098 -1.150 -4.239 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.118 -3.442 -6.339 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.721 -2.348 -6.202 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.490 -4.107 -6.064 1.00 0.00 H new ATOM 432 N TYR A 28 0.611 -1.603 -2.315 1.00 0.00 N ATOM 433 CA TYR A 28 1.513 -1.033 -1.362 1.00 0.00 C ATOM 434 C TYR A 28 1.785 0.399 -1.668 1.00 0.00 C ATOM 435 O TYR A 28 1.487 1.255 -0.837 1.00 0.00 O ATOM 436 CB TYR A 28 2.807 -1.863 -1.288 1.00 0.00 C ATOM 437 CG TYR A 28 3.887 -1.328 -0.412 1.00 0.00 C ATOM 438 CD1 TYR A 28 4.727 -0.348 -0.885 1.00 0.00 C ATOM 439 CD2 TYR A 28 4.132 -1.865 0.831 1.00 0.00 C ATOM 440 CE1 TYR A 28 5.778 0.117 -0.131 1.00 0.00 C ATOM 441 CE2 TYR A 28 5.211 -1.449 1.573 1.00 0.00 C ATOM 442 CZ TYR A 28 6.032 -0.455 1.094 1.00 0.00 C ATOM 443 OH TYR A 28 7.176 -0.079 1.830 1.00 0.00 O ATOM 0 H TYR A 28 1.007 -2.421 -2.778 1.00 0.00 H new ATOM 0 HA TYR A 28 1.044 -1.061 -0.379 1.00 0.00 H new ATOM 0 HB2 TYR A 28 2.551 -2.865 -0.942 1.00 0.00 H new ATOM 0 HB3 TYR A 28 3.205 -1.966 -2.297 1.00 0.00 H new ATOM 0 HD1 TYR A 28 4.558 0.065 -1.869 1.00 0.00 H new ATOM 0 HD2 TYR A 28 3.470 -2.621 1.227 1.00 0.00 H new ATOM 0 HE1 TYR A 28 6.398 0.923 -0.496 1.00 0.00 H new ATOM 0 HE2 TYR A 28 5.414 -1.902 2.532 1.00 0.00 H new ATOM 0 HH TYR A 28 7.229 0.899 1.875 1.00 0.00 H new ATOM 453 N ALA A 29 2.331 0.727 -2.852 1.00 0.00 N ATOM 454 CA ALA A 29 2.708 2.052 -3.235 1.00 0.00 C ATOM 455 C ALA A 29 1.646 3.080 -3.045 1.00 0.00 C ATOM 456 O ALA A 29 1.885 4.146 -2.479 1.00 0.00 O ATOM 457 CB ALA A 29 3.203 2.016 -4.691 1.00 0.00 C ATOM 0 H ALA A 29 2.519 0.035 -3.577 1.00 0.00 H new ATOM 0 HA ALA A 29 3.506 2.369 -2.563 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.495 3.019 -5.001 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.061 1.348 -4.767 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.404 1.655 -5.338 1.00 0.00 H new ATOM 463 N LEU A 30 0.398 2.768 -3.437 1.00 0.00 N ATOM 464 CA LEU A 30 -0.736 3.599 -3.176 1.00 0.00 C ATOM 465 C LEU A 30 -1.131 3.734 -1.745 1.00 0.00 C ATOM 466 O LEU A 30 -1.292 4.851 -1.256 1.00 0.00 O ATOM 467 CB LEU A 30 -1.971 3.099 -3.941 1.00 0.00 C ATOM 468 CG LEU A 30 -2.025 3.586 -5.399 1.00 0.00 C ATOM 469 CD1 LEU A 30 -1.440 2.575 -6.400 1.00 0.00 C ATOM 470 CD2 LEU A 30 -3.497 3.856 -5.754 1.00 0.00 C ATOM 0 H LEU A 30 0.171 1.915 -3.949 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.404 4.581 -3.512 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.980 2.009 -3.929 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.870 3.431 -3.421 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.414 4.486 -5.474 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.509 2.981 -7.409 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.395 2.385 -6.156 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.001 1.642 -6.345 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.565 4.203 -6.785 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.073 2.937 -5.642 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.898 4.619 -5.087 1.00 0.00 H new ATOM 482 N TYR A 31 -1.319 2.615 -1.022 1.00 0.00 N ATOM 483 CA TYR A 31 -1.691 2.560 0.359 1.00 0.00 C ATOM 484 C TYR A 31 -0.748 3.342 1.209 1.00 0.00 C ATOM 485 O TYR A 31 -1.098 4.208 2.008 1.00 0.00 O ATOM 486 CB TYR A 31 -1.755 1.113 0.873 1.00 0.00 C ATOM 487 CG TYR A 31 -2.018 1.033 2.338 1.00 0.00 C ATOM 488 CD1 TYR A 31 -2.944 1.827 2.972 1.00 0.00 C ATOM 489 CD2 TYR A 31 -1.210 0.215 3.092 1.00 0.00 C ATOM 490 CE1 TYR A 31 -3.132 1.727 4.331 1.00 0.00 C ATOM 491 CE2 TYR A 31 -1.370 0.142 4.456 1.00 0.00 C ATOM 492 CZ TYR A 31 -2.349 0.880 5.079 1.00 0.00 C ATOM 493 OH TYR A 31 -2.533 0.804 6.476 1.00 0.00 O ATOM 0 H TYR A 31 -1.203 1.687 -1.430 1.00 0.00 H new ATOM 0 HA TYR A 31 -2.685 3.002 0.430 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -2.538 0.576 0.338 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -0.814 0.610 0.649 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -3.527 2.533 2.400 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -0.444 -0.374 2.610 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -3.898 2.317 4.813 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -0.724 -0.497 5.040 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.901 0.158 6.855 1.00 0.00 H new ATOM 503 N LYS A 32 0.554 3.047 1.051 1.00 0.00 N ATOM 504 CA LYS A 32 1.642 3.759 1.646 1.00 0.00 C ATOM 505 C LYS A 32 1.711 5.184 1.215 1.00 0.00 C ATOM 506 O LYS A 32 2.060 6.039 2.027 1.00 0.00 O ATOM 507 CB LYS A 32 2.944 2.958 1.477 1.00 0.00 C ATOM 508 CG LYS A 32 2.900 1.536 2.043 1.00 0.00 C ATOM 509 CD LYS A 32 2.522 1.399 3.519 1.00 0.00 C ATOM 510 CE LYS A 32 3.373 2.259 4.457 1.00 0.00 C ATOM 511 NZ LYS A 32 3.120 1.923 5.876 1.00 0.00 N ATOM 0 H LYS A 32 0.865 2.266 0.474 1.00 0.00 H new ATOM 0 HA LYS A 32 1.468 3.841 2.719 1.00 0.00 H new ATOM 0 HB2 LYS A 32 3.186 2.904 0.416 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.755 3.502 1.962 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.189 0.956 1.454 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.880 1.081 1.898 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.474 1.671 3.643 1.00 0.00 H new ATOM 0 HD3 LYS A 32 2.617 0.354 3.813 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.429 2.113 4.230 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.153 3.313 4.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.712 2.523 6.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.117 2.086 6.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.353 0.923 6.043 1.00 0.00 H new ATOM 525 N GLN A 33 1.312 5.551 -0.015 1.00 0.00 N ATOM 526 CA GLN A 33 1.253 6.929 -0.392 1.00 0.00 C ATOM 527 C GLN A 33 0.280 7.760 0.372 1.00 0.00 C ATOM 528 O GLN A 33 0.677 8.713 1.039 1.00 0.00 O ATOM 529 CB GLN A 33 1.005 7.199 -1.886 1.00 0.00 C ATOM 530 CG GLN A 33 2.292 7.535 -2.643 1.00 0.00 C ATOM 531 CD GLN A 33 2.943 8.836 -2.196 1.00 0.00 C ATOM 532 OE1 GLN A 33 2.385 9.927 -2.306 1.00 0.00 O ATOM 533 NE2 GLN A 33 4.190 8.745 -1.660 1.00 0.00 N ATOM 0 H GLN A 33 1.031 4.897 -0.746 1.00 0.00 H new ATOM 0 HA GLN A 33 2.268 7.232 -0.136 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.540 6.323 -2.338 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.300 8.024 -1.991 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.003 6.719 -2.512 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.071 7.597 -3.708 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.643 7.835 -1.574 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.672 9.587 -1.344 1.00 0.00 H new ATOM 542 N ALA A 34 -1.031 7.463 0.326 1.00 0.00 N ATOM 543 CA ALA A 34 -1.967 8.268 1.048 1.00 0.00 C ATOM 544 C ALA A 34 -2.142 7.911 2.485 1.00 0.00 C ATOM 545 O ALA A 34 -2.877 8.603 3.188 1.00 0.00 O ATOM 546 CB ALA A 34 -3.294 8.511 0.311 1.00 0.00 C ATOM 0 H ALA A 34 -1.436 6.686 -0.197 1.00 0.00 H new ATOM 0 HA ALA A 34 -1.475 9.240 1.079 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.945 9.130 0.928 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.098 9.020 -0.633 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.781 7.556 0.114 1.00 0.00 H new ATOM 552 N THR A 35 -1.451 6.898 3.037 1.00 0.00 N ATOM 553 CA THR A 35 -1.221 6.880 4.449 1.00 0.00 C ATOM 554 C THR A 35 -0.181 7.863 4.862 1.00 0.00 C ATOM 555 O THR A 35 -0.461 8.785 5.627 1.00 0.00 O ATOM 556 CB THR A 35 -0.919 5.563 5.098 1.00 0.00 C ATOM 557 OG1 THR A 35 0.052 4.795 4.402 1.00 0.00 O ATOM 558 CG2 THR A 35 -2.204 4.720 5.157 1.00 0.00 C ATOM 0 H THR A 35 -1.060 6.109 2.522 1.00 0.00 H new ATOM 0 HA THR A 35 -2.209 7.155 4.819 1.00 0.00 H new ATOM 0 HB THR A 35 -0.524 5.798 6.086 1.00 0.00 H new ATOM 0 HG1 THR A 35 -0.299 4.544 3.522 1.00 0.00 H new ATOM 0 HG21 THR A 35 -1.989 3.761 5.628 1.00 0.00 H new ATOM 0 HG22 THR A 35 -2.960 5.249 5.738 1.00 0.00 H new ATOM 0 HG23 THR A 35 -2.576 4.552 4.146 1.00 0.00 H new ATOM 566 N VAL A 36 1.070 7.743 4.382 1.00 0.00 N ATOM 567 CA VAL A 36 2.172 8.536 4.832 1.00 0.00 C ATOM 568 C VAL A 36 2.171 9.913 4.261 1.00 0.00 C ATOM 569 O VAL A 36 2.245 10.911 4.975 1.00 0.00 O ATOM 570 CB VAL A 36 3.466 7.874 4.465 1.00 0.00 C ATOM 571 CG1 VAL A 36 4.684 8.647 4.997 1.00 0.00 C ATOM 572 CG2 VAL A 36 3.480 6.433 5.001 1.00 0.00 C ATOM 0 H VAL A 36 1.323 7.072 3.657 1.00 0.00 H new ATOM 0 HA VAL A 36 2.066 8.619 5.914 1.00 0.00 H new ATOM 0 HB VAL A 36 3.538 7.866 3.377 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.598 8.130 4.707 1.00 0.00 H new ATOM 0 HG12 VAL A 36 4.688 9.653 4.578 1.00 0.00 H new ATOM 0 HG13 VAL A 36 4.631 8.707 6.084 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.422 5.954 4.733 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.376 6.447 6.086 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.652 5.874 4.565 1.00 0.00 H new ATOM 582 N GLY A 37 2.132 10.009 2.920 1.00 0.00 N ATOM 583 CA GLY A 37 2.164 11.208 2.138 1.00 0.00 C ATOM 584 C GLY A 37 3.519 11.577 1.643 1.00 0.00 C ATOM 585 O GLY A 37 3.691 12.567 0.934 1.00 0.00 O ATOM 0 H GLY A 37 2.073 9.176 2.334 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.497 11.089 1.284 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.772 12.030 2.737 1.00 0.00 H new ATOM 589 N ASP A 38 4.521 10.752 1.994 1.00 0.00 N ATOM 590 CA ASP A 38 5.834 10.727 1.428 1.00 0.00 C ATOM 591 C ASP A 38 6.133 9.276 1.259 1.00 0.00 C ATOM 592 O ASP A 38 5.399 8.428 1.764 1.00 0.00 O ATOM 593 CB ASP A 38 6.920 11.280 2.366 1.00 0.00 C ATOM 594 CG ASP A 38 6.740 12.757 2.683 1.00 0.00 C ATOM 595 OD1 ASP A 38 6.023 13.072 3.670 1.00 0.00 O ATOM 596 OD2 ASP A 38 7.386 13.603 2.007 1.00 0.00 O ATOM 0 H ASP A 38 4.404 10.052 2.727 1.00 0.00 H new ATOM 0 HA ASP A 38 5.846 11.332 0.522 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.912 10.711 3.296 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.898 11.129 1.909 1.00 0.00 H new ATOM 601 N ASN A 39 7.254 8.913 0.610 1.00 0.00 N ATOM 602 CA ASN A 39 7.909 7.670 0.880 1.00 0.00 C ATOM 603 C ASN A 39 8.602 7.683 2.199 1.00 0.00 C ATOM 604 O ASN A 39 9.478 8.503 2.473 1.00 0.00 O ATOM 605 CB ASN A 39 8.798 7.205 -0.284 1.00 0.00 C ATOM 606 CG ASN A 39 9.902 8.186 -0.656 1.00 0.00 C ATOM 607 OD1 ASN A 39 9.912 9.374 -0.339 1.00 0.00 O ATOM 608 ND2 ASN A 39 10.903 7.661 -1.413 1.00 0.00 N ATOM 0 H ASN A 39 7.708 9.482 -0.104 1.00 0.00 H new ATOM 0 HA ASN A 39 7.133 6.909 0.961 1.00 0.00 H new ATOM 0 HB2 ASN A 39 9.250 6.249 -0.022 1.00 0.00 H new ATOM 0 HB3 ASN A 39 8.171 7.032 -1.159 1.00 0.00 H new ATOM 0 HD21 ASN A 39 11.672 8.254 -1.724 1.00 0.00 H new ATOM 0 HD22 ASN A 39 10.884 6.674 -1.670 1.00 0.00 H new ATOM 615 N ASP A 40 8.196 6.795 3.124 1.00 0.00 N ATOM 616 CA ASP A 40 8.590 6.835 4.497 1.00 0.00 C ATOM 617 C ASP A 40 9.947 6.267 4.741 1.00 0.00 C ATOM 618 O ASP A 40 10.937 6.977 4.905 1.00 0.00 O ATOM 619 CB ASP A 40 7.522 6.115 5.337 1.00 0.00 C ATOM 620 CG ASP A 40 7.677 6.243 6.846 1.00 0.00 C ATOM 621 OD1 ASP A 40 8.393 7.156 7.335 1.00 0.00 O ATOM 622 OD2 ASP A 40 7.070 5.402 7.561 1.00 0.00 O ATOM 0 H ASP A 40 7.570 6.020 2.907 1.00 0.00 H new ATOM 0 HA ASP A 40 8.662 7.881 4.796 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.542 6.502 5.056 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.533 5.057 5.077 1.00 0.00 H new ATOM 627 N LYS A 41 10.029 4.926 4.825 1.00 0.00 N ATOM 628 CA LYS A 41 11.132 4.215 5.393 1.00 0.00 C ATOM 629 C LYS A 41 12.201 3.936 4.393 1.00 0.00 C ATOM 630 O LYS A 41 12.203 2.903 3.727 1.00 0.00 O ATOM 631 CB LYS A 41 10.642 2.868 5.951 1.00 0.00 C ATOM 632 CG LYS A 41 9.634 3.036 7.091 1.00 0.00 C ATOM 633 CD LYS A 41 8.914 1.728 7.423 1.00 0.00 C ATOM 634 CE LYS A 41 7.393 1.895 7.401 1.00 0.00 C ATOM 635 NZ LYS A 41 6.936 2.747 8.522 1.00 0.00 N ATOM 0 H LYS A 41 9.292 4.310 4.481 1.00 0.00 H new ATOM 0 HA LYS A 41 11.547 4.845 6.179 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.184 2.291 5.148 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.497 2.294 6.308 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.150 3.400 7.979 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.900 3.793 6.816 1.00 0.00 H new ATOM 0 HD2 LYS A 41 9.206 0.960 6.706 1.00 0.00 H new ATOM 0 HD3 LYS A 41 9.227 1.380 8.407 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.086 2.339 6.454 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.915 0.917 7.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.965 2.483 8.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.565 2.612 9.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.957 3.745 8.230 1.00 0.00 H new ATOM 649 N GLU A 42 13.192 4.842 4.299 1.00 0.00 N ATOM 650 CA GLU A 42 14.264 4.820 3.353 1.00 0.00 C ATOM 651 C GLU A 42 15.335 3.848 3.715 1.00 0.00 C ATOM 652 O GLU A 42 16.535 4.116 3.730 1.00 0.00 O ATOM 653 CB GLU A 42 14.755 6.270 3.215 1.00 0.00 C ATOM 654 CG GLU A 42 15.590 6.552 1.964 1.00 0.00 C ATOM 655 CD GLU A 42 16.082 7.991 1.924 1.00 0.00 C ATOM 656 OE1 GLU A 42 15.250 8.930 2.044 1.00 0.00 O ATOM 657 OE2 GLU A 42 17.313 8.193 1.754 1.00 0.00 O ATOM 0 H GLU A 42 13.246 5.644 4.927 1.00 0.00 H new ATOM 0 HA GLU A 42 13.922 4.455 2.385 1.00 0.00 H new ATOM 0 HB2 GLU A 42 13.889 6.933 3.213 1.00 0.00 H new ATOM 0 HB3 GLU A 42 15.348 6.523 4.094 1.00 0.00 H new ATOM 0 HG2 GLU A 42 16.444 5.875 1.937 1.00 0.00 H new ATOM 0 HG3 GLU A 42 14.993 6.347 1.075 1.00 0.00 H new ATOM 664 N LYS A 43 14.891 2.616 4.021 1.00 0.00 N ATOM 665 CA LYS A 43 15.675 1.429 4.163 1.00 0.00 C ATOM 666 C LYS A 43 14.752 0.267 4.021 1.00 0.00 C ATOM 667 O LYS A 43 14.190 -0.175 5.022 1.00 0.00 O ATOM 668 CB LYS A 43 16.423 1.364 5.505 1.00 0.00 C ATOM 669 CG LYS A 43 17.545 0.323 5.518 1.00 0.00 C ATOM 670 CD LYS A 43 18.139 0.125 6.914 1.00 0.00 C ATOM 671 CE LYS A 43 19.537 -0.497 6.893 1.00 0.00 C ATOM 672 NZ LYS A 43 19.971 -0.843 8.265 1.00 0.00 N ATOM 0 H LYS A 43 13.900 2.437 4.182 1.00 0.00 H new ATOM 0 HA LYS A 43 16.447 1.419 3.394 1.00 0.00 H new ATOM 0 HB2 LYS A 43 16.843 2.345 5.728 1.00 0.00 H new ATOM 0 HB3 LYS A 43 15.713 1.134 6.299 1.00 0.00 H new ATOM 0 HG2 LYS A 43 17.159 -0.628 5.152 1.00 0.00 H new ATOM 0 HG3 LYS A 43 18.333 0.633 4.831 1.00 0.00 H new ATOM 0 HD2 LYS A 43 18.185 1.088 7.422 1.00 0.00 H new ATOM 0 HD3 LYS A 43 17.474 -0.512 7.498 1.00 0.00 H new ATOM 0 HE2 LYS A 43 19.534 -1.391 6.270 1.00 0.00 H new ATOM 0 HE3 LYS A 43 20.245 0.201 6.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 20.921 -1.264 8.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 19.993 0.017 8.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 19.304 -1.526 8.678 1.00 0.00 H new ATOM 878 N TRP A 55 9.114 -0.750 -1.988 1.00 0.00 N ATOM 879 CA TRP A 55 9.581 0.548 -1.612 1.00 0.00 C ATOM 880 C TRP A 55 10.082 1.355 -2.760 1.00 0.00 C ATOM 881 O TRP A 55 9.932 2.576 -2.790 1.00 0.00 O ATOM 882 CB TRP A 55 10.623 0.439 -0.486 1.00 0.00 C ATOM 883 CG TRP A 55 10.689 1.675 0.379 1.00 0.00 C ATOM 884 CD1 TRP A 55 9.939 1.985 1.476 1.00 0.00 C ATOM 885 CD2 TRP A 55 11.455 2.857 0.075 1.00 0.00 C ATOM 886 NE1 TRP A 55 10.035 3.323 1.753 1.00 0.00 N ATOM 887 CE2 TRP A 55 11.010 3.859 0.945 1.00 0.00 C ATOM 888 CE3 TRP A 55 12.423 3.109 -0.859 1.00 0.00 C ATOM 889 CZ2 TRP A 55 11.545 5.117 0.886 1.00 0.00 C ATOM 890 CZ3 TRP A 55 12.966 4.371 -0.894 1.00 0.00 C ATOM 891 CH2 TRP A 55 12.540 5.355 -0.032 1.00 0.00 C ATOM 0 HA TRP A 55 8.718 1.097 -1.234 1.00 0.00 H new ATOM 0 HB2 TRP A 55 10.386 -0.422 0.138 1.00 0.00 H new ATOM 0 HB3 TRP A 55 11.604 0.256 -0.923 1.00 0.00 H new ATOM 0 HD1 TRP A 55 9.354 1.277 2.044 1.00 0.00 H new ATOM 0 HE1 TRP A 55 9.480 3.833 2.440 1.00 0.00 H new ATOM 0 HE3 TRP A 55 12.749 2.342 -1.546 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 11.195 5.901 1.542 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 13.742 4.594 -1.612 1.00 0.00 H new ATOM 0 HH2 TRP A 55 12.996 6.333 -0.077 1.00 0.00 H new ATOM 902 N GLU A 56 10.645 0.727 -3.808 1.00 0.00 N ATOM 903 CA GLU A 56 11.129 1.415 -4.964 1.00 0.00 C ATOM 904 C GLU A 56 10.018 1.910 -5.825 1.00 0.00 C ATOM 905 O GLU A 56 10.075 3.008 -6.376 1.00 0.00 O ATOM 906 CB GLU A 56 12.099 0.537 -5.772 1.00 0.00 C ATOM 907 CG GLU A 56 12.741 1.256 -6.961 1.00 0.00 C ATOM 908 CD GLU A 56 13.871 0.449 -7.585 1.00 0.00 C ATOM 909 OE1 GLU A 56 13.638 -0.718 -7.998 1.00 0.00 O ATOM 910 OE2 GLU A 56 15.005 0.986 -7.702 1.00 0.00 O ATOM 0 H GLU A 56 10.767 -0.285 -3.853 1.00 0.00 H new ATOM 0 HA GLU A 56 11.678 2.287 -4.607 1.00 0.00 H new ATOM 0 HB2 GLU A 56 12.886 0.177 -5.109 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.563 -0.340 -6.136 1.00 0.00 H new ATOM 0 HG2 GLU A 56 11.980 1.455 -7.716 1.00 0.00 H new ATOM 0 HG3 GLU A 56 13.126 2.222 -6.634 1.00 0.00 H new ATOM 917 N ALA A 57 8.904 1.163 -5.917 1.00 0.00 N ATOM 918 CA ALA A 57 7.728 1.635 -6.580 1.00 0.00 C ATOM 919 C ALA A 57 7.073 2.767 -5.866 1.00 0.00 C ATOM 920 O ALA A 57 6.515 3.680 -6.473 1.00 0.00 O ATOM 921 CB ALA A 57 6.728 0.478 -6.743 1.00 0.00 C ATOM 0 H ALA A 57 8.817 0.224 -5.529 1.00 0.00 H new ATOM 0 HA ALA A 57 8.040 2.011 -7.555 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.832 0.840 -7.248 1.00 0.00 H new ATOM 0 HB2 ALA A 57 7.183 -0.316 -7.335 1.00 0.00 H new ATOM 0 HB3 ALA A 57 6.458 0.089 -5.761 1.00 0.00 H new ATOM 927 N TRP A 58 7.176 2.776 -4.525 1.00 0.00 N ATOM 928 CA TRP A 58 6.732 3.841 -3.680 1.00 0.00 C ATOM 929 C TRP A 58 7.542 5.080 -3.851 1.00 0.00 C ATOM 930 O TRP A 58 7.022 6.193 -3.854 1.00 0.00 O ATOM 931 CB TRP A 58 6.725 3.381 -2.213 1.00 0.00 C ATOM 932 CG TRP A 58 6.004 4.279 -1.236 1.00 0.00 C ATOM 933 CD1 TRP A 58 5.040 5.221 -1.458 1.00 0.00 C ATOM 934 CD2 TRP A 58 6.174 4.204 0.192 1.00 0.00 C ATOM 935 NE1 TRP A 58 4.656 5.798 -0.276 1.00 0.00 N ATOM 936 CE2 TRP A 58 5.344 5.186 0.745 1.00 0.00 C ATOM 937 CE3 TRP A 58 6.922 3.371 0.977 1.00 0.00 C ATOM 938 CZ2 TRP A 58 5.282 5.344 2.102 1.00 0.00 C ATOM 939 CZ3 TRP A 58 6.780 3.483 2.340 1.00 0.00 C ATOM 940 CH2 TRP A 58 5.967 4.447 2.889 1.00 0.00 C ATOM 0 H TRP A 58 7.589 2.002 -4.005 1.00 0.00 H new ATOM 0 HA TRP A 58 5.715 4.095 -3.978 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.272 2.391 -2.167 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.758 3.275 -1.882 1.00 0.00 H new ATOM 0 HD1 TRP A 58 4.638 5.475 -2.428 1.00 0.00 H new ATOM 0 HE1 TRP A 58 3.977 6.552 -0.172 1.00 0.00 H new ATOM 0 HE3 TRP A 58 7.600 2.651 0.542 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 4.712 6.149 2.543 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 7.314 2.805 2.989 1.00 0.00 H new ATOM 0 HH2 TRP A 58 5.864 4.501 3.963 1.00 0.00 H new ATOM 951 N GLU A 59 8.864 4.940 -4.054 1.00 0.00 N ATOM 952 CA GLU A 59 9.803 5.972 -4.371 1.00 0.00 C ATOM 953 C GLU A 59 9.537 6.660 -5.666 1.00 0.00 C ATOM 954 O GLU A 59 9.881 7.822 -5.874 1.00 0.00 O ATOM 955 CB GLU A 59 11.243 5.431 -4.372 1.00 0.00 C ATOM 956 CG GLU A 59 12.328 6.503 -4.263 1.00 0.00 C ATOM 957 CD GLU A 59 13.482 6.336 -5.242 1.00 0.00 C ATOM 958 OE1 GLU A 59 13.337 6.746 -6.424 1.00 0.00 O ATOM 959 OE2 GLU A 59 14.571 5.861 -4.820 1.00 0.00 O ATOM 0 H GLU A 59 9.313 4.026 -3.991 1.00 0.00 H new ATOM 0 HA GLU A 59 9.680 6.715 -3.583 1.00 0.00 H new ATOM 0 HB2 GLU A 59 11.355 4.734 -3.542 1.00 0.00 H new ATOM 0 HB3 GLU A 59 11.403 4.863 -5.289 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.872 7.480 -4.422 1.00 0.00 H new ATOM 0 HG3 GLU A 59 12.726 6.498 -3.248 1.00 0.00 H new ATOM 966 N ASN A 60 8.842 6.011 -6.617 1.00 0.00 N ATOM 967 CA ASN A 60 8.397 6.661 -7.812 1.00 0.00 C ATOM 968 C ASN A 60 7.275 7.613 -7.575 1.00 0.00 C ATOM 969 O ASN A 60 7.060 8.536 -8.359 1.00 0.00 O ATOM 970 CB ASN A 60 8.036 5.637 -8.901 1.00 0.00 C ATOM 971 CG ASN A 60 9.193 4.724 -9.280 1.00 0.00 C ATOM 972 OD1 ASN A 60 8.991 3.564 -9.634 1.00 0.00 O ATOM 973 ND2 ASN A 60 10.449 5.246 -9.254 1.00 0.00 N ATOM 0 H ASN A 60 8.586 5.026 -6.557 1.00 0.00 H new ATOM 0 HA ASN A 60 9.237 7.258 -8.167 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.201 5.028 -8.554 1.00 0.00 H new ATOM 0 HB3 ASN A 60 7.696 6.168 -9.790 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.245 4.672 -9.532 1.00 0.00 H new ATOM 0 HD22 ASN A 60 10.594 6.211 -8.957 1.00 0.00 H new ATOM 980 N LEU A 61 6.538 7.460 -6.461 1.00 0.00 N ATOM 981 CA LEU A 61 5.439 8.298 -6.095 1.00 0.00 C ATOM 982 C LEU A 61 5.779 9.315 -5.060 1.00 0.00 C ATOM 983 O LEU A 61 4.914 10.103 -4.681 1.00 0.00 O ATOM 984 CB LEU A 61 4.273 7.454 -5.554 1.00 0.00 C ATOM 985 CG LEU A 61 3.946 6.188 -6.363 1.00 0.00 C ATOM 986 CD1 LEU A 61 2.723 5.516 -5.716 1.00 0.00 C ATOM 987 CD2 LEU A 61 3.648 6.462 -7.847 1.00 0.00 C ATOM 0 H LEU A 61 6.717 6.718 -5.784 1.00 0.00 H new ATOM 0 HA LEU A 61 5.163 8.822 -7.010 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.503 7.161 -4.530 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.381 8.080 -5.514 1.00 0.00 H new ATOM 0 HG LEU A 61 4.827 5.547 -6.343 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.468 4.613 -6.271 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.955 5.254 -4.684 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.878 6.204 -5.734 1.00 0.00 H new ATOM 0 HD21 LEU A 61 3.426 5.522 -8.353 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.790 7.129 -7.929 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.516 6.929 -8.312 1.00 0.00 H new ATOM 999 N LYS A 62 7.037 9.330 -4.586 1.00 0.00 N ATOM 1000 CA LYS A 62 7.622 9.830 -3.381 1.00 0.00 C ATOM 1001 C LYS A 62 7.068 10.951 -2.571 1.00 0.00 C ATOM 1002 O LYS A 62 7.321 11.009 -1.368 1.00 0.00 O ATOM 1003 CB LYS A 62 9.110 10.139 -3.617 1.00 0.00 C ATOM 1004 CG LYS A 62 9.416 11.318 -4.543 1.00 0.00 C ATOM 1005 CD LYS A 62 10.532 10.979 -5.532 1.00 0.00 C ATOM 1006 CE LYS A 62 11.251 12.190 -6.131 1.00 0.00 C ATOM 1007 NZ LYS A 62 12.107 11.751 -7.256 1.00 0.00 N ATOM 0 H LYS A 62 7.770 8.913 -5.160 1.00 0.00 H new ATOM 0 HA LYS A 62 7.360 8.983 -2.746 1.00 0.00 H new ATOM 0 HB2 LYS A 62 9.577 10.331 -2.651 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.584 9.248 -4.029 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.515 11.595 -5.090 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.706 12.184 -3.948 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.267 10.351 -5.027 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.111 10.387 -6.344 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.523 12.923 -6.479 1.00 0.00 H new ATOM 0 HE3 LYS A 62 11.857 12.680 -5.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 12.595 12.574 -7.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 12.810 11.067 -6.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 11.518 11.303 -7.986 1.00 0.00 H new ATOM 1021 N GLY A 63 6.286 11.893 -3.127 1.00 0.00 N ATOM 1022 CA GLY A 63 5.540 12.799 -2.310 1.00 0.00 C ATOM 1023 C GLY A 63 4.500 13.505 -3.110 1.00 0.00 C ATOM 1024 O GLY A 63 4.114 14.626 -2.780 1.00 0.00 O ATOM 0 H GLY A 63 6.170 12.027 -4.132 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.068 12.253 -1.493 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.214 13.527 -1.859 1.00 0.00 H new ATOM 1028 N LYS A 64 4.014 12.877 -4.194 1.00 0.00 N ATOM 1029 CA LYS A 64 3.098 13.516 -5.088 1.00 0.00 C ATOM 1030 C LYS A 64 1.798 12.789 -5.092 1.00 0.00 C ATOM 1031 O LYS A 64 0.726 13.362 -4.898 1.00 0.00 O ATOM 1032 CB LYS A 64 3.639 13.593 -6.526 1.00 0.00 C ATOM 1033 CG LYS A 64 3.070 14.786 -7.297 1.00 0.00 C ATOM 1034 CD LYS A 64 3.625 14.923 -8.716 1.00 0.00 C ATOM 1035 CE LYS A 64 5.100 15.322 -8.777 1.00 0.00 C ATOM 1036 NZ LYS A 64 5.571 15.404 -10.178 1.00 0.00 N ATOM 0 H LYS A 64 4.257 11.921 -4.453 1.00 0.00 H new ATOM 0 HA LYS A 64 2.961 14.536 -4.728 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.726 13.665 -6.499 1.00 0.00 H new ATOM 0 HB3 LYS A 64 3.394 12.672 -7.054 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.985 14.690 -7.348 1.00 0.00 H new ATOM 0 HG3 LYS A 64 3.283 15.700 -6.743 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.495 13.975 -9.238 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.037 15.666 -9.254 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.240 16.285 -8.286 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.700 14.595 -8.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 6.575 15.676 -10.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 5.457 14.478 -10.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 5.012 16.116 -10.691 1.00 0.00 H new ATOM 1050 N SER A 65 1.869 11.467 -5.326 1.00 0.00 N ATOM 1051 CA SER A 65 0.748 10.649 -5.675 1.00 0.00 C ATOM 1052 C SER A 65 -0.063 10.188 -4.513 1.00 0.00 C ATOM 1053 O SER A 65 -0.635 9.101 -4.557 1.00 0.00 O ATOM 1054 CB SER A 65 1.165 9.402 -6.473 1.00 0.00 C ATOM 1055 OG SER A 65 2.167 9.717 -7.428 1.00 0.00 O ATOM 0 H SER A 65 2.744 10.946 -5.270 1.00 0.00 H new ATOM 0 HA SER A 65 0.132 11.311 -6.284 1.00 0.00 H new ATOM 0 HB2 SER A 65 1.536 8.637 -5.791 1.00 0.00 H new ATOM 0 HB3 SER A 65 0.295 8.983 -6.979 1.00 0.00 H new ATOM 0 HG SER A 65 1.991 9.229 -8.260 1.00 0.00 H new ATOM 1061 N GLN A 66 -0.231 11.017 -3.467 1.00 0.00 N ATOM 1062 CA GLN A 66 -1.213 10.912 -2.434 1.00 0.00 C ATOM 1063 C GLN A 66 -2.538 11.303 -2.992 1.00 0.00 C ATOM 1064 O GLN A 66 -3.587 10.813 -2.578 1.00 0.00 O ATOM 1065 CB GLN A 66 -0.770 11.908 -1.349 1.00 0.00 C ATOM 1066 CG GLN A 66 -1.851 12.239 -0.320 1.00 0.00 C ATOM 1067 CD GLN A 66 -1.351 13.141 0.799 1.00 0.00 C ATOM 1068 OE1 GLN A 66 -1.522 14.359 0.774 1.00 0.00 O ATOM 1069 NE2 GLN A 66 -0.732 12.527 1.844 1.00 0.00 N ATOM 0 H GLN A 66 0.373 11.829 -3.335 1.00 0.00 H new ATOM 0 HA GLN A 66 -1.301 9.903 -2.032 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.097 11.500 -0.829 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.448 12.832 -1.830 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.688 12.724 -0.823 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -2.231 11.312 0.110 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -0.604 11.515 1.838 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -0.396 13.079 2.633 1.00 0.00 H new ATOM 1078 N GLU A 67 -2.483 12.191 -4.001 1.00 0.00 N ATOM 1079 CA GLU A 67 -3.540 12.705 -4.817 1.00 0.00 C ATOM 1080 C GLU A 67 -4.098 11.646 -5.704 1.00 0.00 C ATOM 1081 O GLU A 67 -5.311 11.513 -5.856 1.00 0.00 O ATOM 1082 CB GLU A 67 -2.975 13.828 -5.704 1.00 0.00 C ATOM 1083 CG GLU A 67 -2.634 15.104 -4.933 1.00 0.00 C ATOM 1084 CD GLU A 67 -2.968 16.339 -5.756 1.00 0.00 C ATOM 1085 OE1 GLU A 67 -2.225 16.699 -6.708 1.00 0.00 O ATOM 1086 OE2 GLU A 67 -4.026 16.956 -5.455 1.00 0.00 O ATOM 0 H GLU A 67 -1.587 12.595 -4.275 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.332 13.073 -4.165 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.078 13.466 -6.206 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.701 14.066 -6.481 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.188 15.126 -3.995 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.574 15.108 -4.678 1.00 0.00 H new ATOM 1093 N ASP A 68 -3.208 10.842 -6.312 1.00 0.00 N ATOM 1094 CA ASP A 68 -3.591 9.711 -7.097 1.00 0.00 C ATOM 1095 C ASP A 68 -3.915 8.528 -6.250 1.00 0.00 C ATOM 1096 O ASP A 68 -4.907 7.858 -6.533 1.00 0.00 O ATOM 1097 CB ASP A 68 -2.508 9.325 -8.119 1.00 0.00 C ATOM 1098 CG ASP A 68 -2.423 10.391 -9.202 1.00 0.00 C ATOM 1099 OD1 ASP A 68 -3.485 10.934 -9.609 1.00 0.00 O ATOM 1100 OD2 ASP A 68 -1.290 10.698 -9.660 1.00 0.00 O ATOM 0 H ASP A 68 -2.199 10.981 -6.257 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.489 10.012 -7.636 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.544 9.221 -7.621 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.742 8.358 -8.564 1.00 0.00 H new ATOM 1105 N ALA A 69 -3.163 8.264 -5.167 1.00 0.00 N ATOM 1106 CA ALA A 69 -3.460 7.226 -4.229 1.00 0.00 C ATOM 1107 C ALA A 69 -4.894 7.099 -3.845 1.00 0.00 C ATOM 1108 O ALA A 69 -5.524 6.096 -4.171 1.00 0.00 O ATOM 1109 CB ALA A 69 -2.606 7.375 -2.957 1.00 0.00 C ATOM 0 H ALA A 69 -2.320 8.790 -4.936 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.211 6.308 -4.762 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.850 6.574 -2.259 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.550 7.318 -3.219 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.813 8.338 -2.491 1.00 0.00 H new ATOM 1115 N GLU A 70 -5.530 8.112 -3.227 1.00 0.00 N ATOM 1116 CA GLU A 70 -6.930 8.104 -2.938 1.00 0.00 C ATOM 1117 C GLU A 70 -7.880 7.687 -4.008 1.00 0.00 C ATOM 1118 O GLU A 70 -8.761 6.865 -3.765 1.00 0.00 O ATOM 1119 CB GLU A 70 -7.348 9.456 -2.335 1.00 0.00 C ATOM 1120 CG GLU A 70 -6.905 10.664 -3.162 1.00 0.00 C ATOM 1121 CD GLU A 70 -7.588 11.944 -2.703 1.00 0.00 C ATOM 1122 OE1 GLU A 70 -7.324 12.381 -1.551 1.00 0.00 O ATOM 1123 OE2 GLU A 70 -8.368 12.536 -3.496 1.00 0.00 O ATOM 0 H GLU A 70 -5.055 8.961 -2.920 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.025 7.286 -2.224 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.433 9.477 -2.231 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.930 9.541 -1.332 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.824 10.781 -3.085 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.132 10.488 -4.213 1.00 0.00 H new ATOM 1130 N LYS A 71 -7.771 8.203 -5.245 1.00 0.00 N ATOM 1131 CA LYS A 71 -8.710 8.038 -6.310 1.00 0.00 C ATOM 1132 C LYS A 71 -8.473 6.826 -7.144 1.00 0.00 C ATOM 1133 O LYS A 71 -9.399 6.273 -7.736 1.00 0.00 O ATOM 1134 CB LYS A 71 -8.633 9.233 -7.275 1.00 0.00 C ATOM 1135 CG LYS A 71 -8.979 10.591 -6.662 1.00 0.00 C ATOM 1136 CD LYS A 71 -8.420 11.703 -7.552 1.00 0.00 C ATOM 1137 CE LYS A 71 -8.476 13.112 -6.962 1.00 0.00 C ATOM 1138 NZ LYS A 71 -7.483 13.228 -5.870 1.00 0.00 N ATOM 0 H LYS A 71 -6.972 8.774 -5.519 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.678 7.950 -5.816 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.624 9.284 -7.684 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.307 9.048 -8.111 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -10.060 10.695 -6.566 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.561 10.667 -5.658 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -7.382 11.468 -7.788 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.969 11.701 -8.494 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.269 13.851 -7.736 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.476 13.320 -6.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -6.963 14.124 -5.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -7.972 13.209 -4.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.815 12.433 -5.922 1.00 0.00 H new ATOM 1152 N GLU A 72 -7.213 6.372 -7.268 1.00 0.00 N ATOM 1153 CA GLU A 72 -6.923 5.200 -8.036 1.00 0.00 C ATOM 1154 C GLU A 72 -6.992 3.982 -7.180 1.00 0.00 C ATOM 1155 O GLU A 72 -7.234 2.890 -7.692 1.00 0.00 O ATOM 1156 CB GLU A 72 -5.584 5.337 -8.780 1.00 0.00 C ATOM 1157 CG GLU A 72 -5.461 6.586 -9.654 1.00 0.00 C ATOM 1158 CD GLU A 72 -6.598 6.785 -10.646 1.00 0.00 C ATOM 1159 OE1 GLU A 72 -6.950 5.824 -11.382 1.00 0.00 O ATOM 1160 OE2 GLU A 72 -7.133 7.923 -10.730 1.00 0.00 O ATOM 0 H GLU A 72 -6.399 6.813 -6.840 1.00 0.00 H new ATOM 0 HA GLU A 72 -7.686 5.088 -8.806 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -4.776 5.342 -8.048 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -5.441 4.457 -9.407 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -5.405 7.461 -9.007 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -4.522 6.536 -10.205 1.00 0.00 H new ATOM 1167 N TYR A 73 -6.844 4.106 -5.849 1.00 0.00 N ATOM 1168 CA TYR A 73 -6.869 2.988 -4.957 1.00 0.00 C ATOM 1169 C TYR A 73 -8.201 2.329 -4.855 1.00 0.00 C ATOM 1170 O TYR A 73 -8.288 1.109 -4.976 1.00 0.00 O ATOM 1171 CB TYR A 73 -6.467 3.378 -3.525 1.00 0.00 C ATOM 1172 CG TYR A 73 -6.094 2.222 -2.662 1.00 0.00 C ATOM 1173 CD1 TYR A 73 -4.937 1.538 -2.954 1.00 0.00 C ATOM 1174 CD2 TYR A 73 -6.827 1.883 -1.549 1.00 0.00 C ATOM 1175 CE1 TYR A 73 -4.472 0.559 -2.107 1.00 0.00 C ATOM 1176 CE2 TYR A 73 -6.379 0.884 -0.717 1.00 0.00 C ATOM 1177 CZ TYR A 73 -5.203 0.224 -0.992 1.00 0.00 C ATOM 1178 OH TYR A 73 -4.726 -0.832 -0.189 1.00 0.00 O ATOM 0 H TYR A 73 -6.704 5.002 -5.382 1.00 0.00 H new ATOM 0 HA TYR A 73 -6.151 2.296 -5.396 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -5.626 4.070 -3.571 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -7.295 3.913 -3.060 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -4.389 1.771 -3.855 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.750 2.399 -1.329 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -3.539 0.057 -2.317 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -6.953 0.616 0.157 1.00 0.00 H new ATOM 0 HH TYR A 73 -3.795 -1.027 -0.424 1.00 0.00 H new ATOM 1188 N ILE A 74 -9.290 3.093 -4.655 1.00 0.00 N ATOM 1189 CA ILE A 74 -10.637 2.632 -4.787 1.00 0.00 C ATOM 1190 C ILE A 74 -10.889 1.696 -5.919 1.00 0.00 C ATOM 1191 O ILE A 74 -11.379 0.584 -5.725 1.00 0.00 O ATOM 1192 CB ILE A 74 -11.586 3.795 -4.796 1.00 0.00 C ATOM 1193 CG1 ILE A 74 -13.053 3.370 -4.979 1.00 0.00 C ATOM 1194 CG2 ILE A 74 -11.190 4.878 -5.813 1.00 0.00 C ATOM 1195 CD1 ILE A 74 -14.052 4.521 -4.867 1.00 0.00 C ATOM 0 H ILE A 74 -9.228 4.076 -4.389 1.00 0.00 H new ATOM 0 HA ILE A 74 -10.821 2.018 -3.906 1.00 0.00 H new ATOM 0 HB ILE A 74 -11.504 4.239 -3.804 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -13.165 2.899 -5.956 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -13.298 2.616 -4.231 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -11.912 5.694 -5.775 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -10.198 5.259 -5.571 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -11.179 4.449 -6.815 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -15.063 4.140 -5.008 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -13.971 4.979 -3.881 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -13.835 5.266 -5.632 1.00 0.00 H new ATOM 1207 N ALA A 75 -10.486 2.058 -7.150 1.00 0.00 N ATOM 1208 CA ALA A 75 -10.680 1.234 -8.303 1.00 0.00 C ATOM 1209 C ALA A 75 -9.857 -0.008 -8.338 1.00 0.00 C ATOM 1210 O ALA A 75 -10.327 -1.043 -8.807 1.00 0.00 O ATOM 1211 CB ALA A 75 -10.464 2.078 -9.571 1.00 0.00 C ATOM 0 H ALA A 75 -10.016 2.941 -7.349 1.00 0.00 H new ATOM 0 HA ALA A 75 -11.707 0.873 -8.251 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -10.611 1.454 -10.453 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -11.178 2.901 -9.586 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -9.450 2.477 -9.574 1.00 0.00 H new ATOM 1217 N LEU A 76 -8.628 0.006 -7.790 1.00 0.00 N ATOM 1218 CA LEU A 76 -7.840 -1.174 -7.613 1.00 0.00 C ATOM 1219 C LEU A 76 -8.453 -2.128 -6.646 1.00 0.00 C ATOM 1220 O LEU A 76 -8.598 -3.320 -6.911 1.00 0.00 O ATOM 1221 CB LEU A 76 -6.450 -0.891 -7.018 1.00 0.00 C ATOM 1222 CG LEU A 76 -5.493 -0.039 -7.868 1.00 0.00 C ATOM 1223 CD1 LEU A 76 -4.289 0.327 -6.983 1.00 0.00 C ATOM 1224 CD2 LEU A 76 -5.034 -0.760 -9.147 1.00 0.00 C ATOM 0 H LEU A 76 -8.172 0.857 -7.462 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.775 -1.582 -8.622 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.586 -0.393 -6.058 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.966 -1.846 -6.816 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.016 0.856 -8.206 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.587 0.933 -7.556 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.633 0.891 -6.116 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.793 -0.584 -6.649 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.360 -0.112 -9.708 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.514 -1.680 -8.879 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.902 -1.000 -9.761 1.00 0.00 H new ATOM 1236 N VAL A 77 -8.845 -1.632 -5.459 1.00 0.00 N ATOM 1237 CA VAL A 77 -9.286 -2.404 -4.338 1.00 0.00 C ATOM 1238 C VAL A 77 -10.637 -2.985 -4.583 1.00 0.00 C ATOM 1239 O VAL A 77 -10.989 -4.029 -4.036 1.00 0.00 O ATOM 1240 CB VAL A 77 -9.169 -1.580 -3.090 1.00 0.00 C ATOM 1241 CG1 VAL A 77 -9.900 -2.219 -1.897 1.00 0.00 C ATOM 1242 CG2 VAL A 77 -7.667 -1.526 -2.760 1.00 0.00 C ATOM 0 H VAL A 77 -8.854 -0.630 -5.271 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.641 -3.271 -4.194 1.00 0.00 H new ATOM 0 HB VAL A 77 -9.615 -0.599 -3.257 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -9.786 -1.585 -1.018 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -10.959 -2.324 -2.133 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -9.474 -3.201 -1.693 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.514 -0.937 -1.856 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.293 -2.537 -2.602 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.129 -1.066 -3.589 1.00 0.00 H new ATOM 1252 N ASP A 78 -11.429 -2.419 -5.511 1.00 0.00 N ATOM 1253 CA ASP A 78 -12.569 -3.106 -6.034 1.00 0.00 C ATOM 1254 C ASP A 78 -12.238 -4.361 -6.764 1.00 0.00 C ATOM 1255 O ASP A 78 -12.853 -5.402 -6.545 1.00 0.00 O ATOM 1256 CB ASP A 78 -13.372 -2.146 -6.930 1.00 0.00 C ATOM 1257 CG ASP A 78 -14.358 -1.290 -6.150 1.00 0.00 C ATOM 1258 OD1 ASP A 78 -14.567 -1.524 -4.930 1.00 0.00 O ATOM 1259 OD2 ASP A 78 -14.998 -0.404 -6.777 1.00 0.00 O ATOM 0 H ASP A 78 -11.281 -1.487 -5.899 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.170 -3.421 -5.181 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -12.681 -1.496 -7.468 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -13.914 -2.724 -7.678 1.00 0.00 H new ATOM 1264 N GLN A 79 -11.196 -4.344 -7.616 1.00 0.00 N ATOM 1265 CA GLN A 79 -10.708 -5.471 -8.347 1.00 0.00 C ATOM 1266 C GLN A 79 -9.997 -6.472 -7.502 1.00 0.00 C ATOM 1267 O GLN A 79 -9.792 -7.612 -7.915 1.00 0.00 O ATOM 1268 CB GLN A 79 -9.774 -5.024 -9.485 1.00 0.00 C ATOM 1269 CG GLN A 79 -10.450 -4.106 -10.504 1.00 0.00 C ATOM 1270 CD GLN A 79 -9.456 -3.523 -11.498 1.00 0.00 C ATOM 1271 OE1 GLN A 79 -8.552 -2.766 -11.149 1.00 0.00 O ATOM 1272 NE2 GLN A 79 -9.621 -3.861 -12.806 1.00 0.00 N ATOM 0 H GLN A 79 -10.665 -3.494 -7.804 1.00 0.00 H new ATOM 0 HA GLN A 79 -11.595 -5.958 -8.752 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -8.914 -4.508 -9.057 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.393 -5.906 -9.999 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -11.215 -4.665 -11.043 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -10.956 -3.295 -9.981 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -10.376 -4.490 -13.079 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -8.990 -3.485 -13.513 1.00 0.00 H new ATOM 1281 N LEU A 80 -9.609 -6.092 -6.271 1.00 0.00 N ATOM 1282 CA LEU A 80 -9.092 -6.943 -5.245 1.00 0.00 C ATOM 1283 C LEU A 80 -10.213 -7.614 -4.528 1.00 0.00 C ATOM 1284 O LEU A 80 -10.364 -8.833 -4.580 1.00 0.00 O ATOM 1285 CB LEU A 80 -8.222 -6.203 -4.215 1.00 0.00 C ATOM 1286 CG LEU A 80 -6.735 -6.131 -4.601 1.00 0.00 C ATOM 1287 CD1 LEU A 80 -6.414 -5.113 -5.708 1.00 0.00 C ATOM 1288 CD2 LEU A 80 -5.872 -5.884 -3.353 1.00 0.00 C ATOM 0 H LEU A 80 -9.661 -5.118 -5.973 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.455 -7.670 -5.748 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.605 -5.190 -4.089 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.314 -6.701 -3.250 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.489 -7.102 -5.030 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.344 -5.128 -5.917 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.964 -5.373 -6.612 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.705 -4.115 -5.380 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.822 -5.835 -3.641 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.165 -4.942 -2.889 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.016 -6.699 -2.644 1.00 0.00 H new ATOM 1300 N ILE A 81 -11.060 -6.850 -3.816 1.00 0.00 N ATOM 1301 CA ILE A 81 -11.992 -7.359 -2.858 1.00 0.00 C ATOM 1302 C ILE A 81 -13.054 -8.202 -3.475 1.00 0.00 C ATOM 1303 O ILE A 81 -13.510 -9.176 -2.879 1.00 0.00 O ATOM 1304 CB ILE A 81 -12.574 -6.237 -2.049 1.00 0.00 C ATOM 1305 CG1 ILE A 81 -11.483 -5.636 -1.147 1.00 0.00 C ATOM 1306 CG2 ILE A 81 -13.799 -6.651 -1.216 1.00 0.00 C ATOM 1307 CD1 ILE A 81 -11.945 -4.519 -0.212 1.00 0.00 C ATOM 0 H ILE A 81 -11.097 -5.835 -3.912 1.00 0.00 H new ATOM 0 HA ILE A 81 -11.440 -8.019 -2.189 1.00 0.00 H new ATOM 0 HB ILE A 81 -12.934 -5.488 -2.754 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -11.053 -6.436 -0.544 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -10.685 -5.249 -1.780 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -14.167 -5.790 -0.657 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -14.584 -7.015 -1.879 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -13.516 -7.441 -0.520 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -11.100 -4.166 0.379 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -12.346 -3.694 -0.801 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -12.720 -4.899 0.454 1.00 0.00 H new ATOM 1319 N ALA A 82 -13.425 -7.935 -4.741 1.00 0.00 N ATOM 1320 CA ALA A 82 -14.267 -8.787 -5.521 1.00 0.00 C ATOM 1321 C ALA A 82 -13.829 -10.211 -5.562 1.00 0.00 C ATOM 1322 O ALA A 82 -14.652 -11.122 -5.494 1.00 0.00 O ATOM 1323 CB ALA A 82 -14.366 -8.241 -6.955 1.00 0.00 C ATOM 0 H ALA A 82 -13.128 -7.096 -5.238 1.00 0.00 H new ATOM 0 HA ALA A 82 -15.239 -8.782 -5.029 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -15.008 -8.892 -7.549 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -14.788 -7.236 -6.933 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -13.372 -8.208 -7.401 1.00 0.00 H new ATOM 1329 N LYS A 83 -12.509 -10.460 -5.619 1.00 0.00 N ATOM 1330 CA LYS A 83 -11.922 -11.763 -5.547 1.00 0.00 C ATOM 1331 C LYS A 83 -11.672 -12.169 -4.135 1.00 0.00 C ATOM 1332 O LYS A 83 -11.838 -13.325 -3.748 1.00 0.00 O ATOM 1333 CB LYS A 83 -10.621 -11.744 -6.367 1.00 0.00 C ATOM 1334 CG LYS A 83 -10.055 -13.122 -6.717 1.00 0.00 C ATOM 1335 CD LYS A 83 -8.722 -13.068 -7.466 1.00 0.00 C ATOM 1336 CE LYS A 83 -8.757 -12.357 -8.821 1.00 0.00 C ATOM 1337 NZ LYS A 83 -7.424 -12.399 -9.462 1.00 0.00 N ATOM 0 H LYS A 83 -11.817 -9.717 -5.720 1.00 0.00 H new ATOM 0 HA LYS A 83 -12.608 -12.502 -5.961 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -10.801 -11.196 -7.292 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -9.866 -11.189 -5.810 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -9.923 -13.694 -5.799 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -10.782 -13.660 -7.326 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -7.989 -12.569 -6.832 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -8.369 -14.088 -7.619 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -9.494 -12.832 -9.469 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -9.070 -11.322 -8.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -7.465 -11.912 -10.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -6.729 -11.925 -8.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -7.140 -13.389 -9.607 1.00 0.00 H new ATOM 1351 N TYR A 84 -11.220 -11.218 -3.299 1.00 0.00 N ATOM 1352 CA TYR A 84 -10.491 -11.492 -2.099 1.00 0.00 C ATOM 1353 C TYR A 84 -11.289 -11.467 -0.839 1.00 0.00 C ATOM 1354 O TYR A 84 -10.801 -11.934 0.188 1.00 0.00 O ATOM 1355 CB TYR A 84 -9.318 -10.508 -1.953 1.00 0.00 C ATOM 1356 CG TYR A 84 -8.241 -10.626 -2.976 1.00 0.00 C ATOM 1357 CD1 TYR A 84 -7.983 -11.766 -3.699 1.00 0.00 C ATOM 1358 CD2 TYR A 84 -7.394 -9.556 -3.143 1.00 0.00 C ATOM 1359 CE1 TYR A 84 -6.892 -11.860 -4.531 1.00 0.00 C ATOM 1360 CE2 TYR A 84 -6.320 -9.617 -4.001 1.00 0.00 C ATOM 1361 CZ TYR A 84 -6.065 -10.774 -4.698 1.00 0.00 C ATOM 1362 OH TYR A 84 -4.965 -10.813 -5.580 1.00 0.00 O ATOM 0 H TYR A 84 -11.367 -10.222 -3.464 1.00 0.00 H new ATOM 0 HA TYR A 84 -10.149 -12.520 -2.221 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -9.714 -9.493 -1.985 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -8.873 -10.646 -0.967 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -8.653 -12.608 -3.612 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -7.576 -8.647 -2.588 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -6.685 -12.784 -5.051 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -5.678 -8.757 -4.127 1.00 0.00 H new ATOM 0 HH TYR A 84 -4.648 -9.901 -5.748 1.00 0.00 H new ATOM 1372 N SER A 85 -12.523 -10.935 -0.836 1.00 0.00 N ATOM 1373 CA SER A 85 -13.349 -10.858 0.328 1.00 0.00 C ATOM 1374 C SER A 85 -13.605 -12.148 1.027 1.00 0.00 C ATOM 1375 O SER A 85 -13.346 -12.273 2.223 1.00 0.00 O ATOM 1376 CB SER A 85 -14.693 -10.160 0.056 1.00 0.00 C ATOM 1377 OG SER A 85 -15.179 -9.487 1.208 1.00 0.00 O ATOM 0 H SER A 85 -12.961 -10.546 -1.671 1.00 0.00 H new ATOM 0 HA SER A 85 -12.744 -10.254 1.004 1.00 0.00 H new ATOM 0 HB2 SER A 85 -14.574 -9.446 -0.759 1.00 0.00 H new ATOM 0 HB3 SER A 85 -15.426 -10.897 -0.271 1.00 0.00 H new ATOM 0 HG SER A 85 -16.033 -9.054 0.998 1.00 0.00 H new ATOM 1383 N SER A 86 -14.110 -13.168 0.311 1.00 0.00 N ATOM 1384 CA SER A 86 -14.257 -14.486 0.848 1.00 0.00 C ATOM 1385 C SER A 86 -14.411 -15.493 -0.282 1.00 0.00 C ATOM 1386 O SER A 86 -13.521 -16.369 -0.460 1.00 0.00 O ATOM 1387 CB SER A 86 -15.452 -14.615 1.807 1.00 0.00 C ATOM 1388 OG SER A 86 -15.522 -15.873 2.464 1.00 0.00 O ATOM 1389 OXT SER A 86 -15.436 -15.455 -1.013 1.00 0.00 O ATOM 0 H SER A 86 -14.421 -13.077 -0.656 1.00 0.00 H new ATOM 0 HA SER A 86 -13.354 -14.690 1.423 1.00 0.00 H new ATOM 0 HB2 SER A 86 -15.392 -13.826 2.557 1.00 0.00 H new ATOM 0 HB3 SER A 86 -16.374 -14.455 1.248 1.00 0.00 H new ATOM 0 HG SER A 86 -16.301 -15.889 3.059 1.00 0.00 H new