USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 853 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 67 THR OG1 : rot -58:sc= -0.324 USER MOD Set 1.2: A 101 GLN : amide:sc= -0.837 X(o=-1.2,f=-0.8) USER MOD Set 2.1: A 49 TYR OH : rot 180:sc= -2.55! USER MOD Set 2.2: A 56 LYS NZ :NH3+ -131:sc= -2.47! (180deg=0) USER MOD Set 3.1: A 21 THR OG1 : rot 93:sc= 0.492 USER MOD Set 3.2: A 45 GLN : amide:sc= 0.457 K(o=0.95,f=-0.95!) USER MOD Set 4.1: A 12 SER OG : rot 180:sc= 0.105 USER MOD Set 4.2: A 13 GLN : amide:sc= -8.17! C(o=-8.1!,f=-2.3!) USER MOD Single : A 1 CYS N :NH3+ 147:sc= 0.542 (180deg=0.226) USER MOD Single : A 1 CYS SG : rot 180:sc= 0.176 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot -46:sc= -0.592! USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.365 K(o=-0.37,f=-6.3!) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -170:sc= -0.999 USER MOD Single : A 17 THR OG1 : rot 72:sc= 0.882 USER MOD Single : A 30 GLN : amide:sc=-0.00214 K(o=-0.0021,f=-1.7!) USER MOD Single : A 34 ASN : amide:sc= -10! K(o=-10!,f=-4) USER MOD Single : A 36 GLN : amide:sc= -1.18! K(o=-1.2!,f=-0.0023) USER MOD Single : A 39 GLN : amide:sc= -2.45 K(o=-2.4,f=-4.1!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 150:sc= -0.518 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0217 USER MOD Single : A 68 MET CE :methyl -176:sc= 0 (180deg=-0.000802) USER MOD Single : A 69 GLN : amide:sc= -0.0756 X(o=-0.076,f=-0.019) USER MOD Single : A 70 THR OG1 : rot -170:sc= -1.5 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot 70:sc= -5.21! USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 82:sc= 1.14 USER MOD Single : A 81 SER OG : rot 180:sc= 0.551 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.163) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -0.0427 X(o=-0.043,f=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.439 USER MOD Single : A 105 SER OG : rot 145:sc= 0.159 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 78.478 9.611 20.318 1.00 0.00 N ATOM 2 CA CYS A 1 79.537 9.966 19.332 1.00 0.00 C ATOM 3 C CYS A 1 79.079 9.571 17.931 1.00 0.00 C ATOM 4 O CYS A 1 77.904 9.281 17.710 1.00 0.00 O ATOM 5 CB CYS A 1 80.829 9.228 19.689 1.00 0.00 C ATOM 6 SG CYS A 1 81.268 9.577 21.410 1.00 0.00 S ATOM 0 H1 CYS A 1 78.920 9.341 21.220 1.00 0.00 H new ATOM 0 H2 CYS A 1 77.855 10.430 20.469 1.00 0.00 H new ATOM 0 H3 CYS A 1 77.918 8.813 19.954 1.00 0.00 H new ATOM 0 HA CYS A 1 79.720 11.040 19.357 1.00 0.00 H new ATOM 0 HB2 CYS A 1 80.699 8.155 19.546 1.00 0.00 H new ATOM 0 HB3 CYS A 1 81.635 9.542 19.026 1.00 0.00 H new ATOM 0 HG CYS A 1 82.364 8.948 21.714 1.00 0.00 H new ATOM 14 N ASP A 2 80.016 9.562 16.986 1.00 0.00 N ATOM 15 CA ASP A 2 79.696 9.201 15.609 1.00 0.00 C ATOM 16 C ASP A 2 79.967 7.721 15.363 1.00 0.00 C ATOM 17 O ASP A 2 80.481 7.340 14.311 1.00 0.00 O ATOM 18 CB ASP A 2 80.529 10.042 14.640 1.00 0.00 C ATOM 19 CG ASP A 2 80.030 9.841 13.213 1.00 0.00 C ATOM 20 OD1 ASP A 2 79.129 9.039 13.029 1.00 0.00 O ATOM 21 OD2 ASP A 2 80.557 10.490 12.324 1.00 0.00 O ATOM 0 H ASP A 2 80.995 9.799 17.147 1.00 0.00 H new ATOM 0 HA ASP A 2 78.637 9.396 15.441 1.00 0.00 H new ATOM 0 HB2 ASP A 2 80.464 11.096 14.912 1.00 0.00 H new ATOM 0 HB3 ASP A 2 81.579 9.759 14.710 1.00 0.00 H new ATOM 26 N SER A 3 79.617 6.890 16.339 1.00 0.00 N ATOM 27 CA SER A 3 79.827 5.451 16.218 1.00 0.00 C ATOM 28 C SER A 3 78.607 4.686 16.719 1.00 0.00 C ATOM 29 O SER A 3 77.982 5.074 17.706 1.00 0.00 O ATOM 30 CB SER A 3 81.056 5.033 17.023 1.00 0.00 C ATOM 31 OG SER A 3 80.937 5.524 18.351 1.00 0.00 O ATOM 0 H SER A 3 79.190 7.185 17.217 1.00 0.00 H new ATOM 0 HA SER A 3 79.983 5.215 15.165 1.00 0.00 H new ATOM 0 HB2 SER A 3 81.147 3.947 17.031 1.00 0.00 H new ATOM 0 HB3 SER A 3 81.960 5.425 16.558 1.00 0.00 H new ATOM 0 HG SER A 3 81.723 5.256 18.871 1.00 0.00 H new ATOM 37 N GLY A 4 78.274 3.597 16.032 1.00 0.00 N ATOM 38 CA GLY A 4 77.123 2.785 16.419 1.00 0.00 C ATOM 39 C GLY A 4 76.073 2.771 15.314 1.00 0.00 C ATOM 40 O GLY A 4 75.736 3.813 14.754 1.00 0.00 O ATOM 0 H GLY A 4 78.778 3.258 15.213 1.00 0.00 H new ATOM 0 HA2 GLY A 4 77.446 1.766 16.632 1.00 0.00 H new ATOM 0 HA3 GLY A 4 76.686 3.179 17.337 1.00 0.00 H new ATOM 44 N THR A 5 75.561 1.583 15.003 1.00 0.00 N ATOM 45 CA THR A 5 74.554 1.448 13.956 1.00 0.00 C ATOM 46 C THR A 5 73.961 0.040 13.947 1.00 0.00 C ATOM 47 O THR A 5 73.538 -0.475 14.982 1.00 0.00 O ATOM 48 CB THR A 5 75.190 1.733 12.596 1.00 0.00 C ATOM 49 OG1 THR A 5 76.098 2.819 12.717 1.00 0.00 O ATOM 50 CG2 THR A 5 74.104 2.083 11.579 1.00 0.00 C ATOM 0 H THR A 5 75.824 0.708 15.456 1.00 0.00 H new ATOM 0 HA THR A 5 73.755 2.163 14.154 1.00 0.00 H new ATOM 0 HB THR A 5 75.726 0.847 12.256 1.00 0.00 H new ATOM 0 HG1 THR A 5 75.680 3.538 13.235 1.00 0.00 H new ATOM 0 HG21 THR A 5 74.563 2.285 10.611 1.00 0.00 H new ATOM 0 HG22 THR A 5 73.411 1.247 11.484 1.00 0.00 H new ATOM 0 HG23 THR A 5 73.562 2.967 11.915 1.00 0.00 H new ATOM 58 N GLY A 6 73.940 -0.577 12.766 1.00 0.00 N ATOM 59 CA GLY A 6 73.405 -1.926 12.618 1.00 0.00 C ATOM 60 C GLY A 6 73.397 -2.350 11.151 1.00 0.00 C ATOM 61 O GLY A 6 72.348 -2.374 10.509 1.00 0.00 O ATOM 0 H GLY A 6 74.287 -0.163 11.901 1.00 0.00 H new ATOM 0 HA2 GLY A 6 74.005 -2.626 13.200 1.00 0.00 H new ATOM 0 HA3 GLY A 6 72.392 -1.966 13.018 1.00 0.00 H new ATOM 65 N LEU A 7 74.575 -2.680 10.627 1.00 0.00 N ATOM 66 CA LEU A 7 74.690 -3.097 9.232 1.00 0.00 C ATOM 67 C LEU A 7 73.531 -4.011 8.852 1.00 0.00 C ATOM 68 O LEU A 7 72.645 -3.628 8.089 1.00 0.00 O ATOM 69 CB LEU A 7 76.008 -3.851 9.012 1.00 0.00 C ATOM 70 CG LEU A 7 76.905 -3.098 8.019 1.00 0.00 C ATOM 71 CD1 LEU A 7 78.154 -3.933 7.736 1.00 0.00 C ATOM 72 CD2 LEU A 7 76.150 -2.872 6.705 1.00 0.00 C ATOM 0 H LEU A 7 75.456 -2.667 11.142 1.00 0.00 H new ATOM 0 HA LEU A 7 74.668 -2.203 8.608 1.00 0.00 H new ATOM 0 HB2 LEU A 7 76.528 -3.969 9.963 1.00 0.00 H new ATOM 0 HB3 LEU A 7 75.801 -4.853 8.635 1.00 0.00 H new ATOM 0 HG LEU A 7 77.186 -2.136 8.447 1.00 0.00 H new ATOM 0 HD11 LEU A 7 78.794 -3.403 7.031 1.00 0.00 H new ATOM 0 HD12 LEU A 7 78.698 -4.100 8.666 1.00 0.00 H new ATOM 0 HD13 LEU A 7 77.861 -4.892 7.309 1.00 0.00 H new ATOM 0 HD21 LEU A 7 76.791 -2.337 6.004 1.00 0.00 H new ATOM 0 HD22 LEU A 7 75.868 -3.834 6.277 1.00 0.00 H new ATOM 0 HD23 LEU A 7 75.253 -2.284 6.897 1.00 0.00 H new ATOM 84 N THR A 8 73.553 -5.224 9.395 1.00 0.00 N ATOM 85 CA THR A 8 72.508 -6.203 9.116 1.00 0.00 C ATOM 86 C THR A 8 72.833 -7.538 9.781 1.00 0.00 C ATOM 87 O THR A 8 71.939 -8.342 10.046 1.00 0.00 O ATOM 88 CB THR A 8 72.371 -6.408 7.605 1.00 0.00 C ATOM 89 OG1 THR A 8 71.646 -7.604 7.355 1.00 0.00 O ATOM 90 CG2 THR A 8 73.762 -6.510 6.976 1.00 0.00 C ATOM 0 H THR A 8 74.281 -5.552 10.029 1.00 0.00 H new ATOM 0 HA THR A 8 71.568 -5.825 9.519 1.00 0.00 H new ATOM 0 HB THR A 8 71.838 -5.563 7.169 1.00 0.00 H new ATOM 0 HG1 THR A 8 71.556 -7.736 6.388 1.00 0.00 H new ATOM 0 HG21 THR A 8 73.665 -6.656 5.900 1.00 0.00 H new ATOM 0 HG22 THR A 8 74.317 -5.592 7.169 1.00 0.00 H new ATOM 0 HG23 THR A 8 74.297 -7.355 7.410 1.00 0.00 H new ATOM 98 N GLY A 9 74.117 -7.769 10.046 1.00 0.00 N ATOM 99 CA GLY A 9 74.542 -9.013 10.678 1.00 0.00 C ATOM 100 C GLY A 9 74.779 -10.098 9.634 1.00 0.00 C ATOM 101 O GLY A 9 74.111 -11.132 9.638 1.00 0.00 O ATOM 0 H GLY A 9 74.873 -7.118 9.835 1.00 0.00 H new ATOM 0 HA2 GLY A 9 75.456 -8.843 11.246 1.00 0.00 H new ATOM 0 HA3 GLY A 9 73.783 -9.344 11.387 1.00 0.00 H new ATOM 105 N ASN A 10 75.733 -9.856 8.742 1.00 0.00 N ATOM 106 CA ASN A 10 76.049 -10.821 7.695 1.00 0.00 C ATOM 107 C ASN A 10 77.559 -10.988 7.556 1.00 0.00 C ATOM 108 O ASN A 10 78.332 -10.370 8.288 1.00 0.00 O ATOM 109 CB ASN A 10 75.459 -10.358 6.362 1.00 0.00 C ATOM 110 CG ASN A 10 74.324 -11.288 5.944 1.00 0.00 C ATOM 111 OD1 ASN A 10 74.167 -11.584 4.760 1.00 0.00 O ATOM 112 ND2 ASN A 10 73.521 -11.768 6.852 1.00 0.00 N ATOM 0 H ASN A 10 76.297 -9.007 8.722 1.00 0.00 H new ATOM 0 HA ASN A 10 75.614 -11.782 7.970 1.00 0.00 H new ATOM 0 HB2 ASN A 10 75.089 -9.337 6.454 1.00 0.00 H new ATOM 0 HB3 ASN A 10 76.234 -10.349 5.595 1.00 0.00 H new ATOM 0 HD21 ASN A 10 72.760 -12.391 6.582 1.00 0.00 H new ATOM 0 HD22 ASN A 10 73.654 -11.521 7.833 1.00 0.00 H new ATOM 119 N TYR A 11 77.969 -11.828 6.611 1.00 0.00 N ATOM 120 CA TYR A 11 79.389 -12.070 6.382 1.00 0.00 C ATOM 121 C TYR A 11 79.827 -11.465 5.050 1.00 0.00 C ATOM 122 O TYR A 11 79.948 -10.248 4.923 1.00 0.00 O ATOM 123 CB TYR A 11 79.667 -13.575 6.385 1.00 0.00 C ATOM 124 CG TYR A 11 79.351 -14.142 7.748 1.00 0.00 C ATOM 125 CD1 TYR A 11 78.019 -14.309 8.144 1.00 0.00 C ATOM 126 CD2 TYR A 11 80.390 -14.503 8.615 1.00 0.00 C ATOM 127 CE1 TYR A 11 77.725 -14.835 9.408 1.00 0.00 C ATOM 128 CE2 TYR A 11 80.096 -15.030 9.877 1.00 0.00 C ATOM 129 CZ TYR A 11 78.764 -15.196 10.274 1.00 0.00 C ATOM 130 OH TYR A 11 78.475 -15.714 11.520 1.00 0.00 O ATOM 0 H TYR A 11 77.344 -12.349 5.996 1.00 0.00 H new ATOM 0 HA TYR A 11 79.956 -11.597 7.183 1.00 0.00 H new ATOM 0 HB2 TYR A 11 79.062 -14.069 5.625 1.00 0.00 H new ATOM 0 HB3 TYR A 11 80.711 -13.763 6.134 1.00 0.00 H new ATOM 0 HD1 TYR A 11 77.218 -14.032 7.475 1.00 0.00 H new ATOM 0 HD2 TYR A 11 81.418 -14.375 8.309 1.00 0.00 H new ATOM 0 HE1 TYR A 11 76.697 -14.962 9.715 1.00 0.00 H new ATOM 0 HE2 TYR A 11 80.897 -15.309 10.545 1.00 0.00 H new ATOM 0 HH TYR A 11 79.310 -15.913 11.993 1.00 0.00 H new ATOM 140 N SER A 12 80.059 -12.322 4.060 1.00 0.00 N ATOM 141 CA SER A 12 80.478 -11.854 2.744 1.00 0.00 C ATOM 142 C SER A 12 79.517 -10.789 2.231 1.00 0.00 C ATOM 143 O SER A 12 79.939 -9.772 1.677 1.00 0.00 O ATOM 144 CB SER A 12 80.517 -13.025 1.762 1.00 0.00 C ATOM 145 OG SER A 12 79.740 -14.097 2.282 1.00 0.00 O ATOM 0 H SER A 12 79.965 -13.334 4.143 1.00 0.00 H new ATOM 0 HA SER A 12 81.475 -11.421 2.830 1.00 0.00 H new ATOM 0 HB2 SER A 12 80.128 -12.715 0.792 1.00 0.00 H new ATOM 0 HB3 SER A 12 81.546 -13.349 1.604 1.00 0.00 H new ATOM 0 HG SER A 12 79.760 -14.850 1.655 1.00 0.00 H new ATOM 151 N GLN A 13 78.224 -11.027 2.421 1.00 0.00 N ATOM 152 CA GLN A 13 77.210 -10.081 1.977 1.00 0.00 C ATOM 153 C GLN A 13 77.505 -8.688 2.520 1.00 0.00 C ATOM 154 O GLN A 13 77.412 -7.695 1.797 1.00 0.00 O ATOM 155 CB GLN A 13 75.827 -10.535 2.451 1.00 0.00 C ATOM 156 CG GLN A 13 75.081 -11.226 1.304 1.00 0.00 C ATOM 157 CD GLN A 13 75.776 -12.535 0.929 1.00 0.00 C ATOM 158 OE1 GLN A 13 75.114 -13.563 0.782 1.00 0.00 O ATOM 159 NE2 GLN A 13 77.074 -12.568 0.764 1.00 0.00 N ATOM 0 H GLN A 13 77.856 -11.862 2.877 1.00 0.00 H new ATOM 0 HA GLN A 13 77.225 -10.045 0.888 1.00 0.00 H new ATOM 0 HB2 GLN A 13 75.929 -11.219 3.294 1.00 0.00 H new ATOM 0 HB3 GLN A 13 75.254 -9.677 2.804 1.00 0.00 H new ATOM 0 HG2 GLN A 13 74.051 -11.425 1.599 1.00 0.00 H new ATOM 0 HG3 GLN A 13 75.042 -10.566 0.437 1.00 0.00 H new ATOM 0 HE21 GLN A 13 77.625 -11.718 0.885 1.00 0.00 H new ATOM 0 HE22 GLN A 13 77.534 -13.443 0.514 1.00 0.00 H new ATOM 168 N ASP A 14 77.867 -8.620 3.798 1.00 0.00 N ATOM 169 CA ASP A 14 78.179 -7.343 4.427 1.00 0.00 C ATOM 170 C ASP A 14 79.525 -6.823 3.933 1.00 0.00 C ATOM 171 O ASP A 14 79.749 -5.615 3.869 1.00 0.00 O ATOM 172 CB ASP A 14 78.225 -7.505 5.947 1.00 0.00 C ATOM 173 CG ASP A 14 79.567 -7.019 6.481 1.00 0.00 C ATOM 174 OD1 ASP A 14 79.782 -5.818 6.484 1.00 0.00 O ATOM 175 OD2 ASP A 14 80.363 -7.855 6.878 1.00 0.00 O ATOM 0 H ASP A 14 77.951 -9.429 4.414 1.00 0.00 H new ATOM 0 HA ASP A 14 77.400 -6.628 4.161 1.00 0.00 H new ATOM 0 HB2 ASP A 14 77.415 -6.939 6.406 1.00 0.00 H new ATOM 0 HB3 ASP A 14 78.075 -8.551 6.215 1.00 0.00 H new ATOM 180 N THR A 15 80.416 -7.746 3.589 1.00 0.00 N ATOM 181 CA THR A 15 81.740 -7.374 3.107 1.00 0.00 C ATOM 182 C THR A 15 81.658 -6.755 1.715 1.00 0.00 C ATOM 183 O THR A 15 82.256 -5.712 1.457 1.00 0.00 O ATOM 184 CB THR A 15 82.646 -8.607 3.067 1.00 0.00 C ATOM 185 OG1 THR A 15 82.227 -9.532 4.060 1.00 0.00 O ATOM 186 CG2 THR A 15 84.093 -8.187 3.334 1.00 0.00 C ATOM 0 H THR A 15 80.247 -8.751 3.635 1.00 0.00 H new ATOM 0 HA THR A 15 82.157 -6.636 3.792 1.00 0.00 H new ATOM 0 HB THR A 15 82.582 -9.075 2.085 1.00 0.00 H new ATOM 0 HG1 THR A 15 82.894 -10.245 4.145 1.00 0.00 H new ATOM 0 HG21 THR A 15 84.738 -9.065 3.305 1.00 0.00 H new ATOM 0 HG22 THR A 15 84.413 -7.477 2.571 1.00 0.00 H new ATOM 0 HG23 THR A 15 84.161 -7.719 4.316 1.00 0.00 H new ATOM 194 N LEU A 16 80.918 -7.403 0.820 1.00 0.00 N ATOM 195 CA LEU A 16 80.778 -6.896 -0.541 1.00 0.00 C ATOM 196 C LEU A 16 79.853 -5.684 -0.570 1.00 0.00 C ATOM 197 O LEU A 16 80.059 -4.754 -1.350 1.00 0.00 O ATOM 198 CB LEU A 16 80.233 -7.993 -1.465 1.00 0.00 C ATOM 199 CG LEU A 16 78.916 -8.543 -0.905 1.00 0.00 C ATOM 200 CD1 LEU A 16 77.729 -7.841 -1.571 1.00 0.00 C ATOM 201 CD2 LEU A 16 78.831 -10.047 -1.190 1.00 0.00 C ATOM 0 H LEU A 16 80.412 -8.269 1.009 1.00 0.00 H new ATOM 0 HA LEU A 16 81.763 -6.592 -0.895 1.00 0.00 H new ATOM 0 HB2 LEU A 16 80.073 -7.591 -2.465 1.00 0.00 H new ATOM 0 HB3 LEU A 16 80.963 -8.798 -1.558 1.00 0.00 H new ATOM 0 HG LEU A 16 78.885 -8.364 0.170 1.00 0.00 H new ATOM 0 HD11 LEU A 16 76.798 -8.238 -1.167 1.00 0.00 H new ATOM 0 HD12 LEU A 16 77.782 -6.770 -1.374 1.00 0.00 H new ATOM 0 HD13 LEU A 16 77.761 -8.014 -2.647 1.00 0.00 H new ATOM 0 HD21 LEU A 16 77.895 -10.440 -0.793 1.00 0.00 H new ATOM 0 HD22 LEU A 16 78.868 -10.216 -2.266 1.00 0.00 H new ATOM 0 HD23 LEU A 16 79.669 -10.555 -0.714 1.00 0.00 H new ATOM 213 N THR A 17 78.836 -5.699 0.284 1.00 0.00 N ATOM 214 CA THR A 17 77.887 -4.592 0.345 1.00 0.00 C ATOM 215 C THR A 17 78.604 -3.295 0.709 1.00 0.00 C ATOM 216 O THR A 17 78.373 -2.254 0.094 1.00 0.00 O ATOM 217 CB THR A 17 76.801 -4.888 1.383 1.00 0.00 C ATOM 218 OG1 THR A 17 76.026 -5.997 0.950 1.00 0.00 O ATOM 219 CG2 THR A 17 75.898 -3.664 1.545 1.00 0.00 C ATOM 0 H THR A 17 78.648 -6.458 0.939 1.00 0.00 H new ATOM 0 HA THR A 17 77.426 -4.478 -0.636 1.00 0.00 H new ATOM 0 HB THR A 17 77.267 -5.120 2.341 1.00 0.00 H new ATOM 0 HG1 THR A 17 76.555 -6.818 1.033 1.00 0.00 H new ATOM 0 HG21 THR A 17 75.126 -3.877 2.284 1.00 0.00 H new ATOM 0 HG22 THR A 17 76.494 -2.814 1.877 1.00 0.00 H new ATOM 0 HG23 THR A 17 75.430 -3.428 0.589 1.00 0.00 H new ATOM 227 N VAL A 18 79.474 -3.368 1.711 1.00 0.00 N ATOM 228 CA VAL A 18 80.222 -2.194 2.149 1.00 0.00 C ATOM 229 C VAL A 18 81.244 -1.787 1.092 1.00 0.00 C ATOM 230 O VAL A 18 81.293 -0.630 0.674 1.00 0.00 O ATOM 231 CB VAL A 18 80.938 -2.492 3.466 1.00 0.00 C ATOM 232 CG1 VAL A 18 81.696 -1.247 3.930 1.00 0.00 C ATOM 233 CG2 VAL A 18 79.908 -2.885 4.528 1.00 0.00 C ATOM 0 H VAL A 18 79.678 -4.221 2.232 1.00 0.00 H new ATOM 0 HA VAL A 18 79.521 -1.373 2.296 1.00 0.00 H new ATOM 0 HB VAL A 18 81.642 -3.311 3.318 1.00 0.00 H new ATOM 0 HG11 VAL A 18 82.206 -1.461 4.869 1.00 0.00 H new ATOM 0 HG12 VAL A 18 82.429 -0.965 3.175 1.00 0.00 H new ATOM 0 HG13 VAL A 18 80.993 -0.427 4.077 1.00 0.00 H new ATOM 0 HG21 VAL A 18 80.417 -3.098 5.468 1.00 0.00 H new ATOM 0 HG22 VAL A 18 79.205 -2.065 4.674 1.00 0.00 H new ATOM 0 HG23 VAL A 18 79.367 -3.772 4.199 1.00 0.00 H new ATOM 243 N ILE A 19 82.054 -2.748 0.661 1.00 0.00 N ATOM 244 CA ILE A 19 83.069 -2.485 -0.352 1.00 0.00 C ATOM 245 C ILE A 19 82.414 -2.100 -1.663 1.00 0.00 C ATOM 246 O ILE A 19 82.991 -1.366 -2.464 1.00 0.00 O ATOM 247 CB ILE A 19 83.955 -3.728 -0.536 1.00 0.00 C ATOM 248 CG1 ILE A 19 85.439 -3.338 -0.425 1.00 0.00 C ATOM 249 CG2 ILE A 19 83.686 -4.385 -1.899 1.00 0.00 C ATOM 250 CD1 ILE A 19 85.861 -2.489 -1.628 1.00 0.00 C ATOM 0 H ILE A 19 82.028 -3.711 0.995 1.00 0.00 H new ATOM 0 HA ILE A 19 83.693 -1.654 -0.024 1.00 0.00 H new ATOM 0 HB ILE A 19 83.714 -4.445 0.249 1.00 0.00 H new ATOM 0 HG12 ILE A 19 85.607 -2.782 0.497 1.00 0.00 H new ATOM 0 HG13 ILE A 19 86.054 -4.236 -0.372 1.00 0.00 H new ATOM 0 HG21 ILE A 19 84.322 -5.263 -2.012 1.00 0.00 H new ATOM 0 HG22 ILE A 19 82.640 -4.685 -1.958 1.00 0.00 H new ATOM 0 HG23 ILE A 19 83.905 -3.674 -2.695 1.00 0.00 H new ATOM 0 HD11 ILE A 19 86.914 -2.222 -1.533 1.00 0.00 H new ATOM 0 HD12 ILE A 19 85.712 -3.059 -2.545 1.00 0.00 H new ATOM 0 HD13 ILE A 19 85.258 -1.582 -1.662 1.00 0.00 H new ATOM 262 N ALA A 20 81.211 -2.600 -1.884 1.00 0.00 N ATOM 263 CA ALA A 20 80.510 -2.295 -3.112 1.00 0.00 C ATOM 264 C ALA A 20 80.236 -0.800 -3.219 1.00 0.00 C ATOM 265 O ALA A 20 80.377 -0.212 -4.289 1.00 0.00 O ATOM 266 CB ALA A 20 79.196 -3.076 -3.185 1.00 0.00 C ATOM 0 H ALA A 20 80.708 -3.209 -1.239 1.00 0.00 H new ATOM 0 HA ALA A 20 81.143 -2.592 -3.948 1.00 0.00 H new ATOM 0 HB1 ALA A 20 78.681 -2.835 -4.115 1.00 0.00 H new ATOM 0 HB2 ALA A 20 79.406 -4.145 -3.153 1.00 0.00 H new ATOM 0 HB3 ALA A 20 78.564 -2.805 -2.339 1.00 0.00 H new ATOM 272 N THR A 21 79.854 -0.188 -2.103 1.00 0.00 N ATOM 273 CA THR A 21 79.576 1.243 -2.094 1.00 0.00 C ATOM 274 C THR A 21 80.835 2.019 -2.460 1.00 0.00 C ATOM 275 O THR A 21 80.778 3.004 -3.196 1.00 0.00 O ATOM 276 CB THR A 21 79.082 1.676 -0.712 1.00 0.00 C ATOM 277 OG1 THR A 21 78.226 0.673 -0.181 1.00 0.00 O ATOM 278 CG2 THR A 21 78.315 2.993 -0.833 1.00 0.00 C ATOM 0 H THR A 21 79.731 -0.654 -1.204 1.00 0.00 H new ATOM 0 HA THR A 21 78.799 1.455 -2.829 1.00 0.00 H new ATOM 0 HB THR A 21 79.935 1.815 -0.047 1.00 0.00 H new ATOM 0 HG1 THR A 21 78.750 0.054 0.369 1.00 0.00 H new ATOM 0 HG21 THR A 21 77.963 3.301 0.152 1.00 0.00 H new ATOM 0 HG22 THR A 21 78.973 3.761 -1.240 1.00 0.00 H new ATOM 0 HG23 THR A 21 77.461 2.857 -1.497 1.00 0.00 H new ATOM 286 N LEU A 22 81.972 1.557 -1.953 1.00 0.00 N ATOM 287 CA LEU A 22 83.244 2.203 -2.246 1.00 0.00 C ATOM 288 C LEU A 22 83.604 1.982 -3.707 1.00 0.00 C ATOM 289 O LEU A 22 83.933 2.921 -4.432 1.00 0.00 O ATOM 290 CB LEU A 22 84.340 1.618 -1.361 1.00 0.00 C ATOM 291 CG LEU A 22 83.945 1.763 0.110 1.00 0.00 C ATOM 292 CD1 LEU A 22 84.947 1.010 0.986 1.00 0.00 C ATOM 293 CD2 LEU A 22 83.945 3.245 0.495 1.00 0.00 C ATOM 0 H LEU A 22 82.039 0.743 -1.341 1.00 0.00 H new ATOM 0 HA LEU A 22 83.154 3.271 -2.049 1.00 0.00 H new ATOM 0 HB2 LEU A 22 84.495 0.567 -1.604 1.00 0.00 H new ATOM 0 HB3 LEU A 22 85.284 2.131 -1.547 1.00 0.00 H new ATOM 0 HG LEU A 22 82.948 1.348 0.260 1.00 0.00 H new ATOM 0 HD11 LEU A 22 84.665 1.114 2.034 1.00 0.00 H new ATOM 0 HD12 LEU A 22 84.947 -0.045 0.713 1.00 0.00 H new ATOM 0 HD13 LEU A 22 85.944 1.424 0.836 1.00 0.00 H new ATOM 0 HD21 LEU A 22 83.664 3.349 1.543 1.00 0.00 H new ATOM 0 HD22 LEU A 22 84.941 3.660 0.344 1.00 0.00 H new ATOM 0 HD23 LEU A 22 83.230 3.783 -0.128 1.00 0.00 H new ATOM 305 N ARG A 23 83.522 0.727 -4.133 1.00 0.00 N ATOM 306 CA ARG A 23 83.821 0.375 -5.512 1.00 0.00 C ATOM 307 C ARG A 23 82.944 1.190 -6.449 1.00 0.00 C ATOM 308 O ARG A 23 83.334 1.492 -7.576 1.00 0.00 O ATOM 309 CB ARG A 23 83.583 -1.124 -5.736 1.00 0.00 C ATOM 310 CG ARG A 23 84.716 -1.933 -5.082 1.00 0.00 C ATOM 311 CD ARG A 23 84.751 -3.364 -5.639 1.00 0.00 C ATOM 312 NE ARG A 23 83.770 -4.209 -4.968 1.00 0.00 N ATOM 313 CZ ARG A 23 82.493 -4.214 -5.337 1.00 0.00 C ATOM 314 NH1 ARG A 23 82.093 -3.457 -6.320 1.00 0.00 N ATOM 315 NH2 ARG A 23 81.641 -4.985 -4.718 1.00 0.00 N ATOM 0 H ARG A 23 83.252 -0.060 -3.544 1.00 0.00 H new ATOM 0 HA ARG A 23 84.868 0.597 -5.720 1.00 0.00 H new ATOM 0 HB2 ARG A 23 82.623 -1.417 -5.312 1.00 0.00 H new ATOM 0 HB3 ARG A 23 83.539 -1.339 -6.804 1.00 0.00 H new ATOM 0 HG2 ARG A 23 85.672 -1.443 -5.265 1.00 0.00 H new ATOM 0 HG3 ARG A 23 84.573 -1.961 -4.002 1.00 0.00 H new ATOM 0 HD2 ARG A 23 84.549 -3.346 -6.710 1.00 0.00 H new ATOM 0 HD3 ARG A 23 85.748 -3.785 -5.509 1.00 0.00 H new ATOM 0 HE ARG A 23 84.070 -4.809 -4.199 1.00 0.00 H new ATOM 0 HH11 ARG A 23 82.760 -2.859 -6.808 1.00 0.00 H new ATOM 0 HH12 ARG A 23 81.113 -3.462 -6.602 1.00 0.00 H new ATOM 0 HH21 ARG A 23 81.956 -5.582 -3.953 1.00 0.00 H new ATOM 0 HH22 ARG A 23 80.661 -4.991 -4.999 1.00 0.00 H new ATOM 329 N GLU A 24 81.758 1.548 -5.974 1.00 0.00 N ATOM 330 CA GLU A 24 80.841 2.338 -6.783 1.00 0.00 C ATOM 331 C GLU A 24 81.282 3.792 -6.818 1.00 0.00 C ATOM 332 O GLU A 24 81.128 4.481 -7.822 1.00 0.00 O ATOM 333 CB GLU A 24 79.422 2.245 -6.219 1.00 0.00 C ATOM 334 CG GLU A 24 78.464 1.777 -7.316 1.00 0.00 C ATOM 335 CD GLU A 24 77.059 1.610 -6.746 1.00 0.00 C ATOM 336 OE1 GLU A 24 76.872 1.930 -5.583 1.00 0.00 O ATOM 337 OE2 GLU A 24 76.192 1.164 -7.479 1.00 0.00 O ATOM 0 H GLU A 24 81.412 1.308 -5.045 1.00 0.00 H new ATOM 0 HA GLU A 24 80.849 1.940 -7.798 1.00 0.00 H new ATOM 0 HB2 GLU A 24 79.398 1.549 -5.380 1.00 0.00 H new ATOM 0 HB3 GLU A 24 79.107 3.216 -5.837 1.00 0.00 H new ATOM 0 HG2 GLU A 24 78.451 2.500 -8.131 1.00 0.00 H new ATOM 0 HG3 GLU A 24 78.810 0.832 -7.734 1.00 0.00 H new ATOM 344 N ALA A 25 81.826 4.245 -5.707 1.00 0.00 N ATOM 345 CA ALA A 25 82.289 5.624 -5.585 1.00 0.00 C ATOM 346 C ALA A 25 83.414 5.926 -6.572 1.00 0.00 C ATOM 347 O ALA A 25 83.454 7.003 -7.168 1.00 0.00 O ATOM 348 CB ALA A 25 82.783 5.880 -4.161 1.00 0.00 C ATOM 0 H ALA A 25 81.961 3.680 -4.869 1.00 0.00 H new ATOM 0 HA ALA A 25 81.449 6.280 -5.813 1.00 0.00 H new ATOM 0 HB1 ALA A 25 83.127 6.911 -4.075 1.00 0.00 H new ATOM 0 HB2 ALA A 25 81.968 5.710 -3.457 1.00 0.00 H new ATOM 0 HB3 ALA A 25 83.606 5.202 -3.934 1.00 0.00 H new ATOM 354 N ILE A 26 84.328 4.978 -6.736 1.00 0.00 N ATOM 355 CA ILE A 26 85.453 5.167 -7.648 1.00 0.00 C ATOM 356 C ILE A 26 84.976 5.202 -9.093 1.00 0.00 C ATOM 357 O ILE A 26 85.549 5.903 -9.927 1.00 0.00 O ATOM 358 CB ILE A 26 86.473 4.041 -7.468 1.00 0.00 C ATOM 359 CG1 ILE A 26 87.877 4.577 -7.766 1.00 0.00 C ATOM 360 CG2 ILE A 26 86.154 2.889 -8.425 1.00 0.00 C ATOM 361 CD1 ILE A 26 88.794 3.423 -8.180 1.00 0.00 C ATOM 0 H ILE A 26 84.315 4.078 -6.255 1.00 0.00 H new ATOM 0 HA ILE A 26 85.925 6.121 -7.413 1.00 0.00 H new ATOM 0 HB ILE A 26 86.428 3.676 -6.442 1.00 0.00 H new ATOM 0 HG12 ILE A 26 87.831 5.321 -8.561 1.00 0.00 H new ATOM 0 HG13 ILE A 26 88.280 5.076 -6.885 1.00 0.00 H new ATOM 0 HG21 ILE A 26 86.885 2.091 -8.291 1.00 0.00 H new ATOM 0 HG22 ILE A 26 85.156 2.506 -8.213 1.00 0.00 H new ATOM 0 HG23 ILE A 26 86.194 3.248 -9.453 1.00 0.00 H new ATOM 0 HD11 ILE A 26 89.791 3.809 -8.391 1.00 0.00 H new ATOM 0 HD12 ILE A 26 88.850 2.695 -7.371 1.00 0.00 H new ATOM 0 HD13 ILE A 26 88.394 2.943 -9.073 1.00 0.00 H new ATOM 373 N ASP A 27 83.931 4.438 -9.387 1.00 0.00 N ATOM 374 CA ASP A 27 83.405 4.394 -10.747 1.00 0.00 C ATOM 375 C ASP A 27 81.906 4.108 -10.758 1.00 0.00 C ATOM 376 O ASP A 27 81.458 3.127 -11.353 1.00 0.00 O ATOM 377 CB ASP A 27 84.135 3.316 -11.552 1.00 0.00 C ATOM 378 CG ASP A 27 84.125 1.997 -10.787 1.00 0.00 C ATOM 379 OD1 ASP A 27 83.045 1.541 -10.447 1.00 0.00 O ATOM 380 OD2 ASP A 27 85.196 1.463 -10.554 1.00 0.00 O ATOM 0 H ASP A 27 83.438 3.850 -8.716 1.00 0.00 H new ATOM 0 HA ASP A 27 83.569 5.372 -11.200 1.00 0.00 H new ATOM 0 HB2 ASP A 27 83.655 3.187 -12.522 1.00 0.00 H new ATOM 0 HB3 ASP A 27 85.162 3.627 -11.744 1.00 0.00 H new ATOM 385 N LEU A 28 81.132 4.973 -10.111 1.00 0.00 N ATOM 386 CA LEU A 28 79.682 4.794 -10.077 1.00 0.00 C ATOM 387 C LEU A 28 79.081 5.155 -11.434 1.00 0.00 C ATOM 388 O LEU A 28 79.686 5.907 -12.199 1.00 0.00 O ATOM 389 CB LEU A 28 79.041 5.679 -9.001 1.00 0.00 C ATOM 390 CG LEU A 28 79.871 6.944 -8.790 1.00 0.00 C ATOM 391 CD1 LEU A 28 80.053 7.671 -10.124 1.00 0.00 C ATOM 392 CD2 LEU A 28 79.142 7.863 -7.811 1.00 0.00 C ATOM 0 H LEU A 28 81.475 5.793 -9.610 1.00 0.00 H new ATOM 0 HA LEU A 28 79.480 3.749 -9.842 1.00 0.00 H new ATOM 0 HB2 LEU A 28 78.027 5.947 -9.298 1.00 0.00 H new ATOM 0 HB3 LEU A 28 78.964 5.126 -8.065 1.00 0.00 H new ATOM 0 HG LEU A 28 80.848 6.675 -8.390 1.00 0.00 H new ATOM 0 HD11 LEU A 28 80.646 8.573 -9.969 1.00 0.00 H new ATOM 0 HD12 LEU A 28 80.566 7.016 -10.828 1.00 0.00 H new ATOM 0 HD13 LEU A 28 79.077 7.943 -10.526 1.00 0.00 H new ATOM 0 HD21 LEU A 28 79.729 8.768 -7.656 1.00 0.00 H new ATOM 0 HD22 LEU A 28 78.167 8.129 -8.219 1.00 0.00 H new ATOM 0 HD23 LEU A 28 79.010 7.349 -6.859 1.00 0.00 H new ATOM 404 N PRO A 29 77.909 4.661 -11.747 1.00 0.00 N ATOM 405 CA PRO A 29 77.246 4.982 -13.040 1.00 0.00 C ATOM 406 C PRO A 29 77.260 6.484 -13.310 1.00 0.00 C ATOM 407 O PRO A 29 77.242 7.288 -12.378 1.00 0.00 O ATOM 408 CB PRO A 29 75.812 4.480 -12.858 1.00 0.00 C ATOM 409 CG PRO A 29 75.873 3.441 -11.787 1.00 0.00 C ATOM 410 CD PRO A 29 77.098 3.748 -10.921 1.00 0.00 C ATOM 0 HA PRO A 29 77.751 4.521 -13.889 1.00 0.00 H new ATOM 0 HB2 PRO A 29 75.146 5.295 -12.574 1.00 0.00 H new ATOM 0 HB3 PRO A 29 75.424 4.061 -13.787 1.00 0.00 H new ATOM 0 HG2 PRO A 29 74.964 3.456 -11.185 1.00 0.00 H new ATOM 0 HG3 PRO A 29 75.951 2.445 -12.223 1.00 0.00 H new ATOM 0 HD2 PRO A 29 76.812 4.213 -9.978 1.00 0.00 H new ATOM 0 HD3 PRO A 29 77.648 2.840 -10.674 1.00 0.00 H new ATOM 418 N GLN A 30 77.302 6.857 -14.582 1.00 0.00 N ATOM 419 CA GLN A 30 77.328 8.269 -14.950 1.00 0.00 C ATOM 420 C GLN A 30 76.101 8.998 -14.409 1.00 0.00 C ATOM 421 O GLN A 30 75.914 10.188 -14.667 1.00 0.00 O ATOM 422 CB GLN A 30 77.385 8.412 -16.470 1.00 0.00 C ATOM 423 CG GLN A 30 78.841 8.561 -16.910 1.00 0.00 C ATOM 424 CD GLN A 30 78.943 8.449 -18.427 1.00 0.00 C ATOM 425 OE1 GLN A 30 77.950 8.170 -19.098 1.00 0.00 O ATOM 426 NE2 GLN A 30 80.093 8.649 -19.011 1.00 0.00 N ATOM 0 H GLN A 30 77.319 6.210 -15.370 1.00 0.00 H new ATOM 0 HA GLN A 30 78.218 8.719 -14.509 1.00 0.00 H new ATOM 0 HB2 GLN A 30 76.937 7.540 -16.946 1.00 0.00 H new ATOM 0 HB3 GLN A 30 76.807 9.280 -16.787 1.00 0.00 H new ATOM 0 HG2 GLN A 30 79.232 9.524 -16.581 1.00 0.00 H new ATOM 0 HG3 GLN A 30 79.452 7.791 -16.439 1.00 0.00 H new ATOM 0 HE21 GLN A 30 80.915 8.880 -18.453 1.00 0.00 H new ATOM 0 HE22 GLN A 30 80.170 8.574 -20.025 1.00 0.00 H new ATOM 435 N ASP A 31 75.267 8.284 -13.659 1.00 0.00 N ATOM 436 CA ASP A 31 74.063 8.883 -13.093 1.00 0.00 C ATOM 437 C ASP A 31 74.365 9.531 -11.745 1.00 0.00 C ATOM 438 O ASP A 31 73.458 9.996 -11.055 1.00 0.00 O ATOM 439 CB ASP A 31 72.984 7.813 -12.915 1.00 0.00 C ATOM 440 CG ASP A 31 71.780 8.402 -12.187 1.00 0.00 C ATOM 441 OD1 ASP A 31 71.385 9.506 -12.530 1.00 0.00 O ATOM 442 OD2 ASP A 31 71.268 7.741 -11.298 1.00 0.00 O ATOM 0 H ASP A 31 75.401 7.299 -13.431 1.00 0.00 H new ATOM 0 HA ASP A 31 73.707 9.651 -13.779 1.00 0.00 H new ATOM 0 HB2 ASP A 31 72.678 7.428 -13.888 1.00 0.00 H new ATOM 0 HB3 ASP A 31 73.385 6.971 -12.350 1.00 0.00 H new ATOM 447 N ALA A 32 75.642 9.560 -11.374 1.00 0.00 N ATOM 448 CA ALA A 32 76.044 10.157 -10.104 1.00 0.00 C ATOM 449 C ALA A 32 77.341 10.942 -10.266 1.00 0.00 C ATOM 450 O ALA A 32 78.395 10.525 -9.785 1.00 0.00 O ATOM 451 CB ALA A 32 76.232 9.066 -9.047 1.00 0.00 C ATOM 0 H ALA A 32 76.410 9.181 -11.929 1.00 0.00 H new ATOM 0 HA ALA A 32 75.258 10.840 -9.782 1.00 0.00 H new ATOM 0 HB1 ALA A 32 76.532 9.522 -8.103 1.00 0.00 H new ATOM 0 HB2 ALA A 32 75.294 8.528 -8.908 1.00 0.00 H new ATOM 0 HB3 ALA A 32 77.004 8.370 -9.376 1.00 0.00 H new ATOM 457 N PRO A 33 77.277 12.068 -10.925 1.00 0.00 N ATOM 458 CA PRO A 33 78.467 12.945 -11.154 1.00 0.00 C ATOM 459 C PRO A 33 79.066 13.454 -9.843 1.00 0.00 C ATOM 460 O PRO A 33 79.813 14.433 -9.830 1.00 0.00 O ATOM 461 CB PRO A 33 77.922 14.111 -11.989 1.00 0.00 C ATOM 462 CG PRO A 33 76.601 13.657 -12.519 1.00 0.00 C ATOM 463 CD PRO A 33 76.064 12.629 -11.529 1.00 0.00 C ATOM 0 HA PRO A 33 79.274 12.406 -11.650 1.00 0.00 H new ATOM 0 HB2 PRO A 33 77.810 15.008 -11.380 1.00 0.00 H new ATOM 0 HB3 PRO A 33 78.604 14.360 -12.802 1.00 0.00 H new ATOM 0 HG2 PRO A 33 75.913 14.497 -12.616 1.00 0.00 H new ATOM 0 HG3 PRO A 33 76.711 13.219 -13.511 1.00 0.00 H new ATOM 0 HD2 PRO A 33 75.420 13.091 -10.781 1.00 0.00 H new ATOM 0 HD3 PRO A 33 75.473 11.862 -12.029 1.00 0.00 H new ATOM 471 N ASN A 34 78.734 12.782 -8.745 1.00 0.00 N ATOM 472 CA ASN A 34 79.242 13.170 -7.437 1.00 0.00 C ATOM 473 C ASN A 34 79.911 11.979 -6.761 1.00 0.00 C ATOM 474 O ASN A 34 79.487 11.535 -5.695 1.00 0.00 O ATOM 475 CB ASN A 34 78.097 13.684 -6.562 1.00 0.00 C ATOM 476 CG ASN A 34 77.054 12.589 -6.370 1.00 0.00 C ATOM 477 OD1 ASN A 34 76.071 12.786 -5.656 1.00 0.00 O ATOM 478 ND2 ASN A 34 77.210 11.439 -6.966 1.00 0.00 N ATOM 0 H ASN A 34 78.118 11.969 -8.736 1.00 0.00 H new ATOM 0 HA ASN A 34 79.977 13.965 -7.568 1.00 0.00 H new ATOM 0 HB2 ASN A 34 78.483 14.003 -5.594 1.00 0.00 H new ATOM 0 HB3 ASN A 34 77.638 14.557 -7.026 1.00 0.00 H new ATOM 0 HD21 ASN A 34 76.517 10.701 -6.841 1.00 0.00 H new ATOM 0 HD22 ASN A 34 78.025 11.278 -7.557 1.00 0.00 H new ATOM 485 N ARG A 35 80.962 11.466 -7.394 1.00 0.00 N ATOM 486 CA ARG A 35 81.690 10.325 -6.851 1.00 0.00 C ATOM 487 C ARG A 35 82.098 10.596 -5.407 1.00 0.00 C ATOM 488 O ARG A 35 82.385 9.671 -4.647 1.00 0.00 O ATOM 489 CB ARG A 35 82.940 10.046 -7.694 1.00 0.00 C ATOM 490 CG ARG A 35 83.245 11.244 -8.601 1.00 0.00 C ATOM 491 CD ARG A 35 82.339 11.201 -9.835 1.00 0.00 C ATOM 492 NE ARG A 35 83.054 10.618 -10.965 1.00 0.00 N ATOM 493 CZ ARG A 35 84.065 11.259 -11.541 1.00 0.00 C ATOM 494 NH1 ARG A 35 84.429 12.432 -11.100 1.00 0.00 N ATOM 495 NH2 ARG A 35 84.692 10.718 -12.550 1.00 0.00 N ATOM 0 H ARG A 35 81.327 11.820 -8.278 1.00 0.00 H new ATOM 0 HA ARG A 35 81.036 9.453 -6.879 1.00 0.00 H new ATOM 0 HB2 ARG A 35 83.791 9.848 -7.042 1.00 0.00 H new ATOM 0 HB3 ARG A 35 82.788 9.152 -8.299 1.00 0.00 H new ATOM 0 HG2 ARG A 35 83.089 12.175 -8.055 1.00 0.00 H new ATOM 0 HG3 ARG A 35 84.291 11.225 -8.905 1.00 0.00 H new ATOM 0 HD2 ARG A 35 81.446 10.615 -9.619 1.00 0.00 H new ATOM 0 HD3 ARG A 35 82.006 12.208 -10.086 1.00 0.00 H new ATOM 0 HE ARG A 35 82.773 9.703 -11.319 1.00 0.00 H new ATOM 0 HH11 ARG A 35 83.937 12.856 -10.313 1.00 0.00 H new ATOM 0 HH12 ARG A 35 85.205 12.925 -11.542 1.00 0.00 H new ATOM 0 HH21 ARG A 35 84.406 9.802 -12.897 1.00 0.00 H new ATOM 0 HH22 ARG A 35 85.468 11.211 -12.992 1.00 0.00 H new ATOM 509 N GLN A 36 82.118 11.874 -5.036 1.00 0.00 N ATOM 510 CA GLN A 36 82.490 12.263 -3.681 1.00 0.00 C ATOM 511 C GLN A 36 81.345 11.997 -2.704 1.00 0.00 C ATOM 512 O GLN A 36 81.539 11.368 -1.663 1.00 0.00 O ATOM 513 CB GLN A 36 82.855 13.748 -3.646 1.00 0.00 C ATOM 514 CG GLN A 36 83.445 14.096 -2.278 1.00 0.00 C ATOM 515 CD GLN A 36 83.663 15.602 -2.168 1.00 0.00 C ATOM 516 OE1 GLN A 36 84.578 16.048 -1.477 1.00 0.00 O ATOM 517 NE2 GLN A 36 82.871 16.416 -2.812 1.00 0.00 N ATOM 0 H GLN A 36 81.882 12.653 -5.651 1.00 0.00 H new ATOM 0 HA GLN A 36 83.351 11.667 -3.380 1.00 0.00 H new ATOM 0 HB2 GLN A 36 83.574 13.975 -4.433 1.00 0.00 H new ATOM 0 HB3 GLN A 36 81.971 14.355 -3.838 1.00 0.00 H new ATOM 0 HG2 GLN A 36 82.774 13.759 -1.488 1.00 0.00 H new ATOM 0 HG3 GLN A 36 84.391 13.573 -2.138 1.00 0.00 H new ATOM 0 HE21 GLN A 36 82.113 16.044 -3.384 1.00 0.00 H new ATOM 0 HE22 GLN A 36 83.010 17.424 -2.743 1.00 0.00 H new ATOM 526 N GLU A 37 80.156 12.487 -3.042 1.00 0.00 N ATOM 527 CA GLU A 37 78.989 12.306 -2.183 1.00 0.00 C ATOM 528 C GLU A 37 78.725 10.829 -1.917 1.00 0.00 C ATOM 529 O GLU A 37 78.679 10.398 -0.765 1.00 0.00 O ATOM 530 CB GLU A 37 77.754 12.936 -2.833 1.00 0.00 C ATOM 531 CG GLU A 37 77.855 14.460 -2.757 1.00 0.00 C ATOM 532 CD GLU A 37 76.659 15.096 -3.457 1.00 0.00 C ATOM 533 OE1 GLU A 37 75.566 15.002 -2.923 1.00 0.00 O ATOM 534 OE2 GLU A 37 76.852 15.667 -4.517 1.00 0.00 O ATOM 0 H GLU A 37 79.975 13.009 -3.899 1.00 0.00 H new ATOM 0 HA GLU A 37 79.194 12.798 -1.232 1.00 0.00 H new ATOM 0 HB2 GLU A 37 77.676 12.618 -3.873 1.00 0.00 H new ATOM 0 HB3 GLU A 37 76.851 12.596 -2.327 1.00 0.00 H new ATOM 0 HG2 GLU A 37 77.889 14.779 -1.715 1.00 0.00 H new ATOM 0 HG3 GLU A 37 78.781 14.795 -3.224 1.00 0.00 H new ATOM 541 N VAL A 38 78.550 10.055 -2.982 1.00 0.00 N ATOM 542 CA VAL A 38 78.291 8.630 -2.828 1.00 0.00 C ATOM 543 C VAL A 38 79.310 8.017 -1.879 1.00 0.00 C ATOM 544 O VAL A 38 78.988 7.124 -1.096 1.00 0.00 O ATOM 545 CB VAL A 38 78.366 7.933 -4.185 1.00 0.00 C ATOM 546 CG1 VAL A 38 78.311 6.417 -3.987 1.00 0.00 C ATOM 547 CG2 VAL A 38 77.190 8.376 -5.063 1.00 0.00 C ATOM 0 H VAL A 38 78.582 10.384 -3.947 1.00 0.00 H new ATOM 0 HA VAL A 38 77.291 8.497 -2.415 1.00 0.00 H new ATOM 0 HB VAL A 38 79.302 8.203 -4.674 1.00 0.00 H new ATOM 0 HG11 VAL A 38 78.365 5.921 -4.956 1.00 0.00 H new ATOM 0 HG12 VAL A 38 79.152 6.100 -3.370 1.00 0.00 H new ATOM 0 HG13 VAL A 38 77.377 6.148 -3.493 1.00 0.00 H new ATOM 0 HG21 VAL A 38 77.249 7.876 -6.030 1.00 0.00 H new ATOM 0 HG22 VAL A 38 76.252 8.113 -4.575 1.00 0.00 H new ATOM 0 HG23 VAL A 38 77.232 9.455 -5.210 1.00 0.00 H new ATOM 557 N GLN A 39 80.541 8.509 -1.947 1.00 0.00 N ATOM 558 CA GLN A 39 81.598 8.006 -1.079 1.00 0.00 C ATOM 559 C GLN A 39 81.245 8.271 0.381 1.00 0.00 C ATOM 560 O GLN A 39 81.507 7.442 1.253 1.00 0.00 O ATOM 561 CB GLN A 39 82.927 8.682 -1.418 1.00 0.00 C ATOM 562 CG GLN A 39 84.079 7.860 -0.835 1.00 0.00 C ATOM 563 CD GLN A 39 85.337 8.717 -0.740 1.00 0.00 C ATOM 564 OE1 GLN A 39 85.250 9.934 -0.575 1.00 0.00 O ATOM 565 NE2 GLN A 39 86.508 8.152 -0.837 1.00 0.00 N ATOM 0 H GLN A 39 80.830 9.248 -2.587 1.00 0.00 H new ATOM 0 HA GLN A 39 81.696 6.932 -1.235 1.00 0.00 H new ATOM 0 HB2 GLN A 39 83.038 8.769 -2.499 1.00 0.00 H new ATOM 0 HB3 GLN A 39 82.947 9.694 -1.013 1.00 0.00 H new ATOM 0 HG2 GLN A 39 83.807 7.488 0.153 1.00 0.00 H new ATOM 0 HG3 GLN A 39 84.269 6.989 -1.462 1.00 0.00 H new ATOM 0 HE21 GLN A 39 86.578 7.144 -0.974 1.00 0.00 H new ATOM 0 HE22 GLN A 39 87.354 8.718 -0.776 1.00 0.00 H new ATOM 574 N ASP A 40 80.640 9.429 0.641 1.00 0.00 N ATOM 575 CA ASP A 40 80.250 9.783 2.000 1.00 0.00 C ATOM 576 C ASP A 40 79.217 8.794 2.523 1.00 0.00 C ATOM 577 O ASP A 40 79.204 8.464 3.709 1.00 0.00 O ATOM 578 CB ASP A 40 79.671 11.199 2.030 1.00 0.00 C ATOM 579 CG ASP A 40 80.617 12.132 2.780 1.00 0.00 C ATOM 580 OD1 ASP A 40 81.817 11.981 2.618 1.00 0.00 O ATOM 581 OD2 ASP A 40 80.128 12.983 3.504 1.00 0.00 O ATOM 0 H ASP A 40 80.412 10.130 -0.064 1.00 0.00 H new ATOM 0 HA ASP A 40 81.133 9.746 2.637 1.00 0.00 H new ATOM 0 HB2 ASP A 40 79.520 11.561 1.013 1.00 0.00 H new ATOM 0 HB3 ASP A 40 78.694 11.192 2.514 1.00 0.00 H new ATOM 586 N THR A 41 78.360 8.315 1.627 1.00 0.00 N ATOM 587 CA THR A 41 77.336 7.354 2.011 1.00 0.00 C ATOM 588 C THR A 41 77.988 6.122 2.623 1.00 0.00 C ATOM 589 O THR A 41 77.463 5.532 3.567 1.00 0.00 O ATOM 590 CB THR A 41 76.511 6.947 0.786 1.00 0.00 C ATOM 591 OG1 THR A 41 75.966 8.110 0.179 1.00 0.00 O ATOM 592 CG2 THR A 41 75.379 6.013 1.218 1.00 0.00 C ATOM 0 H THR A 41 78.354 8.574 0.640 1.00 0.00 H new ATOM 0 HA THR A 41 76.677 7.815 2.746 1.00 0.00 H new ATOM 0 HB THR A 41 77.150 6.429 0.071 1.00 0.00 H new ATOM 0 HG1 THR A 41 75.439 7.853 -0.606 1.00 0.00 H new ATOM 0 HG21 THR A 41 74.793 5.724 0.346 1.00 0.00 H new ATOM 0 HG22 THR A 41 75.800 5.122 1.683 1.00 0.00 H new ATOM 0 HG23 THR A 41 74.736 6.527 1.933 1.00 0.00 H new ATOM 600 N ALA A 42 79.145 5.750 2.087 1.00 0.00 N ATOM 601 CA ALA A 42 79.872 4.597 2.596 1.00 0.00 C ATOM 602 C ALA A 42 80.421 4.905 3.984 1.00 0.00 C ATOM 603 O ALA A 42 80.510 4.022 4.837 1.00 0.00 O ATOM 604 CB ALA A 42 81.022 4.242 1.653 1.00 0.00 C ATOM 0 H ALA A 42 79.596 6.227 1.306 1.00 0.00 H new ATOM 0 HA ALA A 42 79.190 3.749 2.658 1.00 0.00 H new ATOM 0 HB1 ALA A 42 81.559 3.378 2.044 1.00 0.00 H new ATOM 0 HB2 ALA A 42 80.624 4.006 0.666 1.00 0.00 H new ATOM 0 HB3 ALA A 42 81.704 5.089 1.576 1.00 0.00 H new ATOM 610 N ARG A 43 80.778 6.168 4.203 1.00 0.00 N ATOM 611 CA ARG A 43 81.306 6.585 5.495 1.00 0.00 C ATOM 612 C ARG A 43 80.368 6.133 6.607 1.00 0.00 C ATOM 613 O ARG A 43 80.808 5.648 7.648 1.00 0.00 O ATOM 614 CB ARG A 43 81.457 8.107 5.535 1.00 0.00 C ATOM 615 CG ARG A 43 82.398 8.497 6.676 1.00 0.00 C ATOM 616 CD ARG A 43 82.529 10.021 6.734 1.00 0.00 C ATOM 617 NE ARG A 43 83.471 10.409 7.778 1.00 0.00 N ATOM 618 CZ ARG A 43 84.781 10.263 7.611 1.00 0.00 C ATOM 619 NH1 ARG A 43 85.245 9.760 6.499 1.00 0.00 N ATOM 620 NH2 ARG A 43 85.604 10.622 8.558 1.00 0.00 N ATOM 0 H ARG A 43 80.712 6.912 3.509 1.00 0.00 H new ATOM 0 HA ARG A 43 82.284 6.127 5.641 1.00 0.00 H new ATOM 0 HB2 ARG A 43 81.851 8.469 4.585 1.00 0.00 H new ATOM 0 HB3 ARG A 43 80.483 8.576 5.676 1.00 0.00 H new ATOM 0 HG2 ARG A 43 82.014 8.118 7.623 1.00 0.00 H new ATOM 0 HG3 ARG A 43 83.377 8.043 6.525 1.00 0.00 H new ATOM 0 HD2 ARG A 43 82.868 10.401 5.770 1.00 0.00 H new ATOM 0 HD3 ARG A 43 81.555 10.469 6.929 1.00 0.00 H new ATOM 0 HE ARG A 43 83.118 10.799 8.652 1.00 0.00 H new ATOM 0 HH11 ARG A 43 84.602 9.479 5.759 1.00 0.00 H new ATOM 0 HH12 ARG A 43 86.251 9.648 6.371 1.00 0.00 H new ATOM 0 HH21 ARG A 43 85.242 11.015 9.427 1.00 0.00 H new ATOM 0 HH22 ARG A 43 86.610 10.510 8.429 1.00 0.00 H new ATOM 634 N GLY A 44 79.069 6.286 6.370 1.00 0.00 N ATOM 635 CA GLY A 44 78.075 5.877 7.354 1.00 0.00 C ATOM 636 C GLY A 44 78.171 4.377 7.602 1.00 0.00 C ATOM 637 O GLY A 44 78.093 3.918 8.742 1.00 0.00 O ATOM 0 H GLY A 44 78.684 6.686 5.514 1.00 0.00 H new ATOM 0 HA2 GLY A 44 78.231 6.419 8.287 1.00 0.00 H new ATOM 0 HA3 GLY A 44 77.076 6.132 7.001 1.00 0.00 H new ATOM 641 N GLN A 45 78.348 3.622 6.523 1.00 0.00 N ATOM 642 CA GLN A 45 78.464 2.173 6.626 1.00 0.00 C ATOM 643 C GLN A 45 79.743 1.792 7.366 1.00 0.00 C ATOM 644 O GLN A 45 79.771 0.808 8.105 1.00 0.00 O ATOM 645 CB GLN A 45 78.477 1.551 5.228 1.00 0.00 C ATOM 646 CG GLN A 45 77.111 0.928 4.932 1.00 0.00 C ATOM 647 CD GLN A 45 77.127 0.267 3.558 1.00 0.00 C ATOM 648 OE1 GLN A 45 77.046 -0.957 3.456 1.00 0.00 O ATOM 649 NE2 GLN A 45 77.228 1.008 2.489 1.00 0.00 N ATOM 0 H GLN A 45 78.414 3.987 5.573 1.00 0.00 H new ATOM 0 HA GLN A 45 77.607 1.795 7.184 1.00 0.00 H new ATOM 0 HB2 GLN A 45 78.711 2.311 4.483 1.00 0.00 H new ATOM 0 HB3 GLN A 45 79.256 0.792 5.164 1.00 0.00 H new ATOM 0 HG2 GLN A 45 76.865 0.191 5.696 1.00 0.00 H new ATOM 0 HG3 GLN A 45 76.337 1.695 4.967 1.00 0.00 H new ATOM 0 HE21 GLN A 45 77.295 2.022 2.576 1.00 0.00 H new ATOM 0 HE22 GLN A 45 77.240 0.573 1.566 1.00 0.00 H new ATOM 658 N ILE A 46 80.799 2.576 7.166 1.00 0.00 N ATOM 659 CA ILE A 46 82.070 2.304 7.829 1.00 0.00 C ATOM 660 C ILE A 46 81.878 2.283 9.339 1.00 0.00 C ATOM 661 O ILE A 46 82.252 1.319 10.008 1.00 0.00 O ATOM 662 CB ILE A 46 83.100 3.376 7.451 1.00 0.00 C ATOM 663 CG1 ILE A 46 83.931 2.886 6.264 1.00 0.00 C ATOM 664 CG2 ILE A 46 84.028 3.651 8.637 1.00 0.00 C ATOM 665 CD1 ILE A 46 84.690 4.064 5.652 1.00 0.00 C ATOM 0 H ILE A 46 80.801 3.395 6.558 1.00 0.00 H new ATOM 0 HA ILE A 46 82.434 1.330 7.504 1.00 0.00 H new ATOM 0 HB ILE A 46 82.577 4.294 7.183 1.00 0.00 H new ATOM 0 HG12 ILE A 46 84.632 2.118 6.590 1.00 0.00 H new ATOM 0 HG13 ILE A 46 83.283 2.429 5.516 1.00 0.00 H new ATOM 0 HG21 ILE A 46 84.756 4.413 8.360 1.00 0.00 H new ATOM 0 HG22 ILE A 46 83.440 4.002 9.485 1.00 0.00 H new ATOM 0 HG23 ILE A 46 84.549 2.734 8.911 1.00 0.00 H new ATOM 0 HD11 ILE A 46 85.282 3.715 4.806 1.00 0.00 H new ATOM 0 HD12 ILE A 46 83.979 4.817 5.311 1.00 0.00 H new ATOM 0 HD13 ILE A 46 85.350 4.501 6.402 1.00 0.00 H new ATOM 677 N ASN A 47 81.283 3.343 9.871 1.00 0.00 N ATOM 678 CA ASN A 47 81.039 3.424 11.305 1.00 0.00 C ATOM 679 C ASN A 47 80.176 2.253 11.750 1.00 0.00 C ATOM 680 O ASN A 47 80.307 1.759 12.870 1.00 0.00 O ATOM 681 CB ASN A 47 80.337 4.743 11.643 1.00 0.00 C ATOM 682 CG ASN A 47 81.290 5.913 11.420 1.00 0.00 C ATOM 683 OD1 ASN A 47 81.065 6.737 10.535 1.00 0.00 O ATOM 684 ND2 ASN A 47 82.348 6.035 12.175 1.00 0.00 N ATOM 0 H ASN A 47 80.963 4.151 9.337 1.00 0.00 H new ATOM 0 HA ASN A 47 81.994 3.384 11.829 1.00 0.00 H new ATOM 0 HB2 ASN A 47 79.450 4.862 11.021 1.00 0.00 H new ATOM 0 HB3 ASN A 47 80.000 4.730 12.680 1.00 0.00 H new ATOM 0 HD21 ASN A 47 82.990 6.815 12.032 1.00 0.00 H new ATOM 0 HD22 ASN A 47 82.533 5.351 12.908 1.00 0.00 H new ATOM 691 N ASP A 48 79.294 1.814 10.861 1.00 0.00 N ATOM 692 CA ASP A 48 78.409 0.698 11.162 1.00 0.00 C ATOM 693 C ASP A 48 79.175 -0.615 11.163 1.00 0.00 C ATOM 694 O ASP A 48 79.048 -1.424 12.082 1.00 0.00 O ATOM 695 CB ASP A 48 77.292 0.636 10.118 1.00 0.00 C ATOM 696 CG ASP A 48 76.403 -0.588 10.340 1.00 0.00 C ATOM 697 OD1 ASP A 48 76.931 -1.639 10.663 1.00 0.00 O ATOM 698 OD2 ASP A 48 75.200 -0.452 10.181 1.00 0.00 O ATOM 0 H ASP A 48 79.173 2.212 9.930 1.00 0.00 H new ATOM 0 HA ASP A 48 77.983 0.852 12.153 1.00 0.00 H new ATOM 0 HB2 ASP A 48 76.689 1.542 10.171 1.00 0.00 H new ATOM 0 HB3 ASP A 48 77.725 0.599 9.118 1.00 0.00 H new ATOM 703 N TYR A 49 79.956 -0.825 10.115 1.00 0.00 N ATOM 704 CA TYR A 49 80.728 -2.049 9.981 1.00 0.00 C ATOM 705 C TYR A 49 81.892 -2.075 10.973 1.00 0.00 C ATOM 706 O TYR A 49 82.046 -3.026 11.739 1.00 0.00 O ATOM 707 CB TYR A 49 81.260 -2.149 8.547 1.00 0.00 C ATOM 708 CG TYR A 49 82.365 -3.174 8.469 1.00 0.00 C ATOM 709 CD1 TYR A 49 82.077 -4.534 8.638 1.00 0.00 C ATOM 710 CD2 TYR A 49 83.679 -2.762 8.223 1.00 0.00 C ATOM 711 CE1 TYR A 49 83.107 -5.481 8.560 1.00 0.00 C ATOM 712 CE2 TYR A 49 84.708 -3.708 8.146 1.00 0.00 C ATOM 713 CZ TYR A 49 84.422 -5.067 8.315 1.00 0.00 C ATOM 714 OH TYR A 49 85.437 -5.998 8.239 1.00 0.00 O ATOM 0 H TYR A 49 80.072 -0.165 9.346 1.00 0.00 H new ATOM 0 HA TYR A 49 80.082 -2.900 10.199 1.00 0.00 H new ATOM 0 HB2 TYR A 49 80.451 -2.424 7.870 1.00 0.00 H new ATOM 0 HB3 TYR A 49 81.632 -1.178 8.221 1.00 0.00 H new ATOM 0 HD1 TYR A 49 81.063 -4.853 8.828 1.00 0.00 H new ATOM 0 HD2 TYR A 49 83.900 -1.713 8.092 1.00 0.00 H new ATOM 0 HE1 TYR A 49 82.886 -6.530 8.689 1.00 0.00 H new ATOM 0 HE2 TYR A 49 85.722 -3.389 7.956 1.00 0.00 H new ATOM 0 HH TYR A 49 86.286 -5.542 8.062 1.00 0.00 H new ATOM 724 N ILE A 50 82.717 -1.035 10.937 1.00 0.00 N ATOM 725 CA ILE A 50 83.879 -0.954 11.821 1.00 0.00 C ATOM 726 C ILE A 50 83.511 -0.589 13.261 1.00 0.00 C ATOM 727 O ILE A 50 84.213 -0.985 14.192 1.00 0.00 O ATOM 728 CB ILE A 50 84.872 0.084 11.283 1.00 0.00 C ATOM 729 CG1 ILE A 50 85.752 -0.546 10.197 1.00 0.00 C ATOM 730 CG2 ILE A 50 85.761 0.579 12.424 1.00 0.00 C ATOM 731 CD1 ILE A 50 85.892 0.431 9.030 1.00 0.00 C ATOM 0 H ILE A 50 82.606 -0.239 10.309 1.00 0.00 H new ATOM 0 HA ILE A 50 84.327 -1.948 11.838 1.00 0.00 H new ATOM 0 HB ILE A 50 84.316 0.920 10.858 1.00 0.00 H new ATOM 0 HG12 ILE A 50 86.734 -0.788 10.604 1.00 0.00 H new ATOM 0 HG13 ILE A 50 85.311 -1.481 9.852 1.00 0.00 H new ATOM 0 HG21 ILE A 50 86.467 1.317 12.042 1.00 0.00 H new ATOM 0 HG22 ILE A 50 85.142 1.035 13.196 1.00 0.00 H new ATOM 0 HG23 ILE A 50 86.309 -0.262 12.849 1.00 0.00 H new ATOM 0 HD11 ILE A 50 86.517 -0.014 8.256 1.00 0.00 H new ATOM 0 HD12 ILE A 50 84.907 0.650 8.619 1.00 0.00 H new ATOM 0 HD13 ILE A 50 86.352 1.354 9.382 1.00 0.00 H new ATOM 743 N SER A 51 82.452 0.200 13.451 1.00 0.00 N ATOM 744 CA SER A 51 82.088 0.629 14.804 1.00 0.00 C ATOM 745 C SER A 51 80.788 0.006 15.313 1.00 0.00 C ATOM 746 O SER A 51 80.134 0.574 16.188 1.00 0.00 O ATOM 747 CB SER A 51 81.965 2.152 14.846 1.00 0.00 C ATOM 748 OG SER A 51 82.738 2.655 15.927 1.00 0.00 O ATOM 0 H SER A 51 81.845 0.548 12.708 1.00 0.00 H new ATOM 0 HA SER A 51 82.885 0.283 15.462 1.00 0.00 H new ATOM 0 HB2 SER A 51 82.310 2.582 13.906 1.00 0.00 H new ATOM 0 HB3 SER A 51 80.921 2.441 14.965 1.00 0.00 H new ATOM 0 HG SER A 51 83.063 3.553 15.707 1.00 0.00 H new ATOM 754 N ARG A 52 80.413 -1.156 14.795 1.00 0.00 N ATOM 755 CA ARG A 52 79.189 -1.803 15.259 1.00 0.00 C ATOM 756 C ARG A 52 79.126 -3.249 14.791 1.00 0.00 C ATOM 757 O ARG A 52 78.775 -4.146 15.558 1.00 0.00 O ATOM 758 CB ARG A 52 77.968 -1.008 14.766 1.00 0.00 C ATOM 759 CG ARG A 52 76.903 -1.930 14.148 1.00 0.00 C ATOM 760 CD ARG A 52 76.380 -2.911 15.201 1.00 0.00 C ATOM 761 NE ARG A 52 76.990 -2.638 16.499 1.00 0.00 N ATOM 762 CZ ARG A 52 76.389 -1.863 17.399 1.00 0.00 C ATOM 763 NH1 ARG A 52 75.237 -1.310 17.128 1.00 0.00 N ATOM 764 NH2 ARG A 52 76.956 -1.649 18.556 1.00 0.00 N ATOM 0 H ARG A 52 80.923 -1.662 14.071 1.00 0.00 H new ATOM 0 HA ARG A 52 79.186 -1.814 16.349 1.00 0.00 H new ATOM 0 HB2 ARG A 52 77.533 -0.455 15.599 1.00 0.00 H new ATOM 0 HB3 ARG A 52 78.286 -0.273 14.027 1.00 0.00 H new ATOM 0 HG2 ARG A 52 76.080 -1.334 13.754 1.00 0.00 H new ATOM 0 HG3 ARG A 52 77.329 -2.479 13.308 1.00 0.00 H new ATOM 0 HD2 ARG A 52 75.296 -2.829 15.277 1.00 0.00 H new ATOM 0 HD3 ARG A 52 76.601 -3.934 14.896 1.00 0.00 H new ATOM 0 HE ARG A 52 77.896 -3.050 16.721 1.00 0.00 H new ATOM 0 HH11 ARG A 52 74.794 -1.471 16.223 1.00 0.00 H new ATOM 0 HH12 ARG A 52 74.780 -0.717 17.821 1.00 0.00 H new ATOM 0 HH21 ARG A 52 77.858 -2.075 18.769 1.00 0.00 H new ATOM 0 HH22 ARG A 52 76.497 -1.055 19.247 1.00 0.00 H new ATOM 778 N TYR A 53 79.462 -3.469 13.530 1.00 0.00 N ATOM 779 CA TYR A 53 79.427 -4.811 12.969 1.00 0.00 C ATOM 780 C TYR A 53 80.752 -5.149 12.291 1.00 0.00 C ATOM 781 O TYR A 53 80.847 -5.179 11.066 1.00 0.00 O ATOM 782 CB TYR A 53 78.278 -4.904 11.961 1.00 0.00 C ATOM 783 CG TYR A 53 77.111 -5.626 12.590 1.00 0.00 C ATOM 784 CD1 TYR A 53 77.265 -6.939 13.054 1.00 0.00 C ATOM 785 CD2 TYR A 53 75.873 -4.984 12.710 1.00 0.00 C ATOM 786 CE1 TYR A 53 76.183 -7.608 13.635 1.00 0.00 C ATOM 787 CE2 TYR A 53 74.790 -5.654 13.292 1.00 0.00 C ATOM 788 CZ TYR A 53 74.945 -6.966 13.756 1.00 0.00 C ATOM 789 OH TYR A 53 73.878 -7.625 14.330 1.00 0.00 O ATOM 0 H TYR A 53 79.760 -2.742 12.879 1.00 0.00 H new ATOM 0 HA TYR A 53 79.268 -5.529 13.773 1.00 0.00 H new ATOM 0 HB2 TYR A 53 77.974 -3.905 11.647 1.00 0.00 H new ATOM 0 HB3 TYR A 53 78.607 -5.433 11.067 1.00 0.00 H new ATOM 0 HD1 TYR A 53 78.220 -7.435 12.963 1.00 0.00 H new ATOM 0 HD2 TYR A 53 75.753 -3.972 12.354 1.00 0.00 H new ATOM 0 HE1 TYR A 53 76.303 -8.621 13.991 1.00 0.00 H new ATOM 0 HE2 TYR A 53 73.835 -5.159 13.383 1.00 0.00 H new ATOM 0 HH TYR A 53 73.095 -7.036 14.337 1.00 0.00 H new ATOM 799 N ARG A 54 81.776 -5.401 13.099 1.00 0.00 N ATOM 800 CA ARG A 54 83.091 -5.735 12.562 1.00 0.00 C ATOM 801 C ARG A 54 83.346 -7.234 12.660 1.00 0.00 C ATOM 802 O ARG A 54 83.616 -7.894 11.657 1.00 0.00 O ATOM 803 CB ARG A 54 84.179 -4.981 13.329 1.00 0.00 C ATOM 804 CG ARG A 54 85.502 -5.092 12.569 1.00 0.00 C ATOM 805 CD ARG A 54 86.578 -4.276 13.288 1.00 0.00 C ATOM 806 NE ARG A 54 87.231 -5.088 14.309 1.00 0.00 N ATOM 807 CZ ARG A 54 88.215 -5.927 13.996 1.00 0.00 C ATOM 808 NH1 ARG A 54 88.609 -6.039 12.757 1.00 0.00 N ATOM 809 NH2 ARG A 54 88.787 -6.638 14.929 1.00 0.00 N ATOM 0 H ARG A 54 81.723 -5.381 14.117 1.00 0.00 H new ATOM 0 HA ARG A 54 83.116 -5.441 11.513 1.00 0.00 H new ATOM 0 HB2 ARG A 54 83.899 -3.934 13.445 1.00 0.00 H new ATOM 0 HB3 ARG A 54 84.286 -5.395 14.332 1.00 0.00 H new ATOM 0 HG2 ARG A 54 85.808 -6.136 12.502 1.00 0.00 H new ATOM 0 HG3 ARG A 54 85.378 -4.730 11.548 1.00 0.00 H new ATOM 0 HD2 ARG A 54 87.316 -3.921 12.569 1.00 0.00 H new ATOM 0 HD3 ARG A 54 86.130 -3.394 13.746 1.00 0.00 H new ATOM 0 HE ARG A 54 86.928 -5.011 15.280 1.00 0.00 H new ATOM 0 HH11 ARG A 54 88.163 -5.483 12.028 1.00 0.00 H new ATOM 0 HH12 ARG A 54 89.363 -6.682 12.518 1.00 0.00 H new ATOM 0 HH21 ARG A 54 88.480 -6.550 15.898 1.00 0.00 H new ATOM 0 HH22 ARG A 54 89.541 -7.281 14.690 1.00 0.00 H new ATOM 823 N ARG A 55 83.262 -7.766 13.874 1.00 0.00 N ATOM 824 CA ARG A 55 83.488 -9.190 14.090 1.00 0.00 C ATOM 825 C ARG A 55 82.916 -10.002 12.934 1.00 0.00 C ATOM 826 O ARG A 55 81.992 -9.563 12.251 1.00 0.00 O ATOM 827 CB ARG A 55 82.834 -9.630 15.401 1.00 0.00 C ATOM 828 CG ARG A 55 83.847 -9.512 16.542 1.00 0.00 C ATOM 829 CD ARG A 55 83.108 -9.238 17.852 1.00 0.00 C ATOM 830 NE ARG A 55 82.637 -7.858 17.886 1.00 0.00 N ATOM 831 CZ ARG A 55 81.858 -7.423 18.872 1.00 0.00 C ATOM 832 NH1 ARG A 55 81.503 -8.235 19.829 1.00 0.00 N ATOM 833 NH2 ARG A 55 81.448 -6.184 18.881 1.00 0.00 N ATOM 0 H ARG A 55 83.041 -7.237 14.718 1.00 0.00 H new ATOM 0 HA ARG A 55 84.562 -9.365 14.146 1.00 0.00 H new ATOM 0 HB2 ARG A 55 81.961 -9.011 15.610 1.00 0.00 H new ATOM 0 HB3 ARG A 55 82.483 -10.658 15.317 1.00 0.00 H new ATOM 0 HG2 ARG A 55 84.427 -10.431 16.624 1.00 0.00 H new ATOM 0 HG3 ARG A 55 84.553 -8.707 16.335 1.00 0.00 H new ATOM 0 HD2 ARG A 55 82.264 -9.920 17.951 1.00 0.00 H new ATOM 0 HD3 ARG A 55 83.770 -9.425 18.697 1.00 0.00 H new ATOM 0 HE ARG A 55 82.910 -7.216 17.141 1.00 0.00 H new ATOM 0 HH11 ARG A 55 81.823 -9.203 19.821 1.00 0.00 H new ATOM 0 HH12 ARG A 55 80.905 -7.901 20.585 1.00 0.00 H new ATOM 0 HH21 ARG A 55 81.725 -5.550 18.132 1.00 0.00 H new ATOM 0 HH22 ARG A 55 80.850 -5.850 19.637 1.00 0.00 H new ATOM 847 N LYS A 56 83.473 -11.191 12.721 1.00 0.00 N ATOM 848 CA LYS A 56 83.011 -12.058 11.644 1.00 0.00 C ATOM 849 C LYS A 56 83.648 -13.440 11.758 1.00 0.00 C ATOM 850 O LYS A 56 83.273 -14.368 11.039 1.00 0.00 O ATOM 851 CB LYS A 56 83.366 -11.441 10.289 1.00 0.00 C ATOM 852 CG LYS A 56 84.861 -11.624 10.019 1.00 0.00 C ATOM 853 CD LYS A 56 85.348 -10.526 9.073 1.00 0.00 C ATOM 854 CE LYS A 56 85.958 -9.384 9.887 1.00 0.00 C ATOM 855 NZ LYS A 56 85.958 -8.139 9.069 1.00 0.00 N ATOM 0 H LYS A 56 84.239 -11.573 13.276 1.00 0.00 H new ATOM 0 HA LYS A 56 81.929 -12.161 11.724 1.00 0.00 H new ATOM 0 HB2 LYS A 56 82.783 -11.913 9.499 1.00 0.00 H new ATOM 0 HB3 LYS A 56 83.112 -10.381 10.283 1.00 0.00 H new ATOM 0 HG2 LYS A 56 85.418 -11.585 10.955 1.00 0.00 H new ATOM 0 HG3 LYS A 56 85.044 -12.605 9.580 1.00 0.00 H new ATOM 0 HD2 LYS A 56 86.088 -10.929 8.381 1.00 0.00 H new ATOM 0 HD3 LYS A 56 84.518 -10.155 8.472 1.00 0.00 H new ATOM 0 HE2 LYS A 56 85.388 -9.230 10.803 1.00 0.00 H new ATOM 0 HE3 LYS A 56 86.976 -9.637 10.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 86.900 -7.701 9.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 85.720 -8.371 8.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 85.253 -7.475 9.448 1.00 0.00 H new ATOM 869 N GLY A 57 84.610 -13.570 12.666 1.00 0.00 N ATOM 870 CA GLY A 57 85.291 -14.845 12.866 1.00 0.00 C ATOM 871 C GLY A 57 86.715 -14.797 12.324 1.00 0.00 C ATOM 872 O GLY A 57 87.648 -15.288 12.961 1.00 0.00 O ATOM 0 H GLY A 57 84.934 -12.815 13.271 1.00 0.00 H new ATOM 0 HA2 GLY A 57 85.311 -15.088 13.928 1.00 0.00 H new ATOM 0 HA3 GLY A 57 84.736 -15.640 12.368 1.00 0.00 H new ATOM 876 N ASP A 58 86.877 -14.202 11.146 1.00 0.00 N ATOM 877 CA ASP A 58 88.195 -14.096 10.529 1.00 0.00 C ATOM 878 C ASP A 58 88.900 -15.449 10.537 1.00 0.00 C ATOM 879 O ASP A 58 89.482 -15.849 11.546 1.00 0.00 O ATOM 880 CB ASP A 58 89.044 -13.071 11.284 1.00 0.00 C ATOM 881 CG ASP A 58 90.456 -13.041 10.709 1.00 0.00 C ATOM 882 OD1 ASP A 58 90.591 -13.222 9.511 1.00 0.00 O ATOM 883 OD2 ASP A 58 91.382 -12.839 11.478 1.00 0.00 O ATOM 0 H ASP A 58 86.119 -13.789 10.603 1.00 0.00 H new ATOM 0 HA ASP A 58 88.068 -13.771 9.496 1.00 0.00 H new ATOM 0 HB2 ASP A 58 88.590 -12.083 11.208 1.00 0.00 H new ATOM 0 HB3 ASP A 58 89.079 -13.325 12.343 1.00 0.00 H new ATOM 888 N ALA A 59 88.846 -16.147 9.409 1.00 0.00 N ATOM 889 CA ALA A 59 89.484 -17.454 9.299 1.00 0.00 C ATOM 890 C ALA A 59 90.860 -17.433 9.956 1.00 0.00 C ATOM 891 O ALA A 59 91.157 -18.252 10.826 1.00 0.00 O ATOM 892 CB ALA A 59 89.625 -17.845 7.827 1.00 0.00 C ATOM 0 H ALA A 59 88.371 -15.833 8.563 1.00 0.00 H new ATOM 0 HA ALA A 59 88.860 -18.187 9.810 1.00 0.00 H new ATOM 0 HB1 ALA A 59 90.102 -18.822 7.754 1.00 0.00 H new ATOM 0 HB2 ALA A 59 88.638 -17.888 7.366 1.00 0.00 H new ATOM 0 HB3 ALA A 59 90.235 -17.104 7.310 1.00 0.00 H new ATOM 898 N GLY A 60 91.696 -16.490 9.533 1.00 0.00 N ATOM 899 CA GLY A 60 93.039 -16.371 10.088 1.00 0.00 C ATOM 900 C GLY A 60 93.728 -15.110 9.579 1.00 0.00 C ATOM 901 O GLY A 60 94.929 -14.924 9.778 1.00 0.00 O ATOM 0 H GLY A 60 91.470 -15.803 8.814 1.00 0.00 H new ATOM 0 HA2 GLY A 60 92.986 -16.347 11.176 1.00 0.00 H new ATOM 0 HA3 GLY A 60 93.628 -17.247 9.816 1.00 0.00 H new ATOM 905 N GLY A 61 92.961 -14.246 8.925 1.00 0.00 N ATOM 906 CA GLY A 61 93.509 -13.004 8.393 1.00 0.00 C ATOM 907 C GLY A 61 93.642 -13.072 6.875 1.00 0.00 C ATOM 908 O GLY A 61 94.496 -13.786 6.349 1.00 0.00 O ATOM 0 H GLY A 61 91.965 -14.381 8.751 1.00 0.00 H new ATOM 0 HA2 GLY A 61 92.863 -12.170 8.668 1.00 0.00 H new ATOM 0 HA3 GLY A 61 94.485 -12.812 8.839 1.00 0.00 H new ATOM 912 N LEU A 62 92.794 -12.324 6.177 1.00 0.00 N ATOM 913 CA LEU A 62 92.829 -12.306 4.720 1.00 0.00 C ATOM 914 C LEU A 62 93.329 -10.957 4.214 1.00 0.00 C ATOM 915 O LEU A 62 92.872 -9.906 4.664 1.00 0.00 O ATOM 916 CB LEU A 62 91.433 -12.581 4.151 1.00 0.00 C ATOM 917 CG LEU A 62 90.427 -12.733 5.293 1.00 0.00 C ATOM 918 CD1 LEU A 62 89.011 -12.804 4.719 1.00 0.00 C ATOM 919 CD2 LEU A 62 90.726 -14.018 6.067 1.00 0.00 C ATOM 0 H LEU A 62 92.079 -11.727 6.593 1.00 0.00 H new ATOM 0 HA LEU A 62 93.513 -13.086 4.386 1.00 0.00 H new ATOM 0 HB2 LEU A 62 91.131 -11.765 3.495 1.00 0.00 H new ATOM 0 HB3 LEU A 62 91.449 -13.487 3.546 1.00 0.00 H new ATOM 0 HG LEU A 62 90.506 -11.877 5.963 1.00 0.00 H new ATOM 0 HD11 LEU A 62 88.294 -12.912 5.532 1.00 0.00 H new ATOM 0 HD12 LEU A 62 88.797 -11.890 4.165 1.00 0.00 H new ATOM 0 HD13 LEU A 62 88.932 -13.661 4.049 1.00 0.00 H new ATOM 0 HD21 LEU A 62 90.010 -14.127 6.881 1.00 0.00 H new ATOM 0 HD22 LEU A 62 90.647 -14.874 5.396 1.00 0.00 H new ATOM 0 HD23 LEU A 62 91.735 -13.970 6.476 1.00 0.00 H new ATOM 931 N LYS A 63 94.268 -10.995 3.274 1.00 0.00 N ATOM 932 CA LYS A 63 94.822 -9.768 2.714 1.00 0.00 C ATOM 933 C LYS A 63 93.708 -8.869 2.190 1.00 0.00 C ATOM 934 O LYS A 63 93.918 -7.681 1.944 1.00 0.00 O ATOM 935 CB LYS A 63 95.786 -10.103 1.574 1.00 0.00 C ATOM 936 CG LYS A 63 96.722 -8.918 1.333 1.00 0.00 C ATOM 937 CD LYS A 63 97.425 -9.087 -0.015 1.00 0.00 C ATOM 938 CE LYS A 63 98.238 -7.830 -0.328 1.00 0.00 C ATOM 939 NZ LYS A 63 98.831 -7.948 -1.689 1.00 0.00 N ATOM 0 H LYS A 63 94.658 -11.854 2.887 1.00 0.00 H new ATOM 0 HA LYS A 63 95.360 -9.241 3.502 1.00 0.00 H new ATOM 0 HB2 LYS A 63 96.365 -10.993 1.822 1.00 0.00 H new ATOM 0 HB3 LYS A 63 95.227 -10.330 0.666 1.00 0.00 H new ATOM 0 HG2 LYS A 63 96.157 -7.986 1.346 1.00 0.00 H new ATOM 0 HG3 LYS A 63 97.459 -8.855 2.134 1.00 0.00 H new ATOM 0 HD2 LYS A 63 98.079 -9.959 0.011 1.00 0.00 H new ATOM 0 HD3 LYS A 63 96.690 -9.263 -0.801 1.00 0.00 H new ATOM 0 HE2 LYS A 63 97.600 -6.948 -0.273 1.00 0.00 H new ATOM 0 HE3 LYS A 63 99.026 -7.700 0.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 99.384 -7.093 -1.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 99.453 -8.781 -1.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 98.071 -8.052 -2.391 1.00 0.00 H new ATOM 953 N SER A 64 92.522 -9.444 2.019 1.00 0.00 N ATOM 954 CA SER A 64 91.380 -8.684 1.523 1.00 0.00 C ATOM 955 C SER A 64 90.823 -7.778 2.617 1.00 0.00 C ATOM 956 O SER A 64 90.440 -6.639 2.356 1.00 0.00 O ATOM 957 CB SER A 64 90.287 -9.640 1.045 1.00 0.00 C ATOM 958 OG SER A 64 89.297 -8.904 0.338 1.00 0.00 O ATOM 0 H SER A 64 92.327 -10.426 2.215 1.00 0.00 H new ATOM 0 HA SER A 64 91.713 -8.065 0.690 1.00 0.00 H new ATOM 0 HB2 SER A 64 90.715 -10.408 0.401 1.00 0.00 H new ATOM 0 HB3 SER A 64 89.838 -10.152 1.896 1.00 0.00 H new ATOM 0 HG SER A 64 88.595 -9.514 0.028 1.00 0.00 H new ATOM 964 N PHE A 65 90.782 -8.294 3.841 1.00 0.00 N ATOM 965 CA PHE A 65 90.268 -7.522 4.967 1.00 0.00 C ATOM 966 C PHE A 65 91.269 -6.450 5.384 1.00 0.00 C ATOM 967 O PHE A 65 90.885 -5.339 5.746 1.00 0.00 O ATOM 968 CB PHE A 65 89.984 -8.450 6.150 1.00 0.00 C ATOM 969 CG PHE A 65 90.119 -7.677 7.439 1.00 0.00 C ATOM 970 CD1 PHE A 65 89.184 -6.686 7.762 1.00 0.00 C ATOM 971 CD2 PHE A 65 91.178 -7.951 8.313 1.00 0.00 C ATOM 972 CE1 PHE A 65 89.308 -5.969 8.958 1.00 0.00 C ATOM 973 CE2 PHE A 65 91.303 -7.235 9.509 1.00 0.00 C ATOM 974 CZ PHE A 65 90.368 -6.243 9.832 1.00 0.00 C ATOM 0 H PHE A 65 91.096 -9.235 4.078 1.00 0.00 H new ATOM 0 HA PHE A 65 89.343 -7.036 4.658 1.00 0.00 H new ATOM 0 HB2 PHE A 65 88.980 -8.866 6.067 1.00 0.00 H new ATOM 0 HB3 PHE A 65 90.679 -9.290 6.142 1.00 0.00 H new ATOM 0 HD1 PHE A 65 88.367 -6.475 7.088 1.00 0.00 H new ATOM 0 HD2 PHE A 65 91.899 -8.716 8.064 1.00 0.00 H new ATOM 0 HE1 PHE A 65 88.587 -5.205 9.207 1.00 0.00 H new ATOM 0 HE2 PHE A 65 92.120 -7.447 10.183 1.00 0.00 H new ATOM 0 HZ PHE A 65 90.464 -5.690 10.754 1.00 0.00 H new ATOM 984 N THR A 66 92.552 -6.787 5.327 1.00 0.00 N ATOM 985 CA THR A 66 93.592 -5.837 5.699 1.00 0.00 C ATOM 986 C THR A 66 93.582 -4.648 4.745 1.00 0.00 C ATOM 987 O THR A 66 94.060 -3.565 5.082 1.00 0.00 O ATOM 988 CB THR A 66 94.964 -6.515 5.664 1.00 0.00 C ATOM 989 OG1 THR A 66 94.848 -7.839 6.167 1.00 0.00 O ATOM 990 CG2 THR A 66 95.949 -5.722 6.525 1.00 0.00 C ATOM 0 H THR A 66 92.894 -7.701 5.030 1.00 0.00 H new ATOM 0 HA THR A 66 93.395 -5.484 6.711 1.00 0.00 H new ATOM 0 HB THR A 66 95.329 -6.547 4.637 1.00 0.00 H new ATOM 0 HG1 THR A 66 95.725 -8.276 6.144 1.00 0.00 H new ATOM 0 HG21 THR A 66 96.926 -6.205 6.500 1.00 0.00 H new ATOM 0 HG22 THR A 66 96.036 -4.707 6.137 1.00 0.00 H new ATOM 0 HG23 THR A 66 95.588 -5.688 7.553 1.00 0.00 H new ATOM 998 N THR A 67 93.028 -4.858 3.556 1.00 0.00 N ATOM 999 CA THR A 67 92.951 -3.799 2.564 1.00 0.00 C ATOM 1000 C THR A 67 91.893 -2.781 2.965 1.00 0.00 C ATOM 1001 O THR A 67 92.075 -1.580 2.782 1.00 0.00 O ATOM 1002 CB THR A 67 92.600 -4.386 1.202 1.00 0.00 C ATOM 1003 OG1 THR A 67 92.505 -5.800 1.305 1.00 0.00 O ATOM 1004 CG2 THR A 67 93.680 -4.015 0.185 1.00 0.00 C ATOM 0 H THR A 67 92.628 -5.748 3.259 1.00 0.00 H new ATOM 0 HA THR A 67 93.921 -3.304 2.506 1.00 0.00 H new ATOM 0 HB THR A 67 91.643 -3.982 0.871 1.00 0.00 H new ATOM 0 HG1 THR A 67 93.355 -6.162 1.633 1.00 0.00 H new ATOM 0 HG21 THR A 67 93.425 -4.437 -0.787 1.00 0.00 H new ATOM 0 HG22 THR A 67 93.746 -2.930 0.104 1.00 0.00 H new ATOM 0 HG23 THR A 67 94.640 -4.413 0.512 1.00 0.00 H new ATOM 1012 N MET A 68 90.784 -3.270 3.512 1.00 0.00 N ATOM 1013 CA MET A 68 89.706 -2.384 3.933 1.00 0.00 C ATOM 1014 C MET A 68 90.266 -1.268 4.803 1.00 0.00 C ATOM 1015 O MET A 68 89.905 -0.102 4.644 1.00 0.00 O ATOM 1016 CB MET A 68 88.652 -3.170 4.714 1.00 0.00 C ATOM 1017 CG MET A 68 87.711 -3.875 3.734 1.00 0.00 C ATOM 1018 SD MET A 68 86.561 -2.669 3.028 1.00 0.00 S ATOM 1019 CE MET A 68 85.173 -3.000 4.140 1.00 0.00 C ATOM 0 H MET A 68 90.610 -4.262 3.672 1.00 0.00 H new ATOM 0 HA MET A 68 89.240 -1.951 3.048 1.00 0.00 H new ATOM 0 HB2 MET A 68 89.135 -3.902 5.362 1.00 0.00 H new ATOM 0 HB3 MET A 68 88.086 -2.498 5.359 1.00 0.00 H new ATOM 0 HG2 MET A 68 88.286 -4.353 2.941 1.00 0.00 H new ATOM 0 HG3 MET A 68 87.159 -4.663 4.246 1.00 0.00 H new ATOM 0 HE1 MET A 68 84.313 -2.404 3.835 1.00 0.00 H new ATOM 0 HE2 MET A 68 84.916 -4.058 4.096 1.00 0.00 H new ATOM 0 HE3 MET A 68 85.453 -2.737 5.160 1.00 0.00 H new ATOM 1029 N GLN A 69 91.165 -1.630 5.712 1.00 0.00 N ATOM 1030 CA GLN A 69 91.783 -0.643 6.589 1.00 0.00 C ATOM 1031 C GLN A 69 92.754 0.218 5.793 1.00 0.00 C ATOM 1032 O GLN A 69 92.963 1.391 6.105 1.00 0.00 O ATOM 1033 CB GLN A 69 92.529 -1.342 7.728 1.00 0.00 C ATOM 1034 CG GLN A 69 92.816 -0.335 8.842 1.00 0.00 C ATOM 1035 CD GLN A 69 91.698 -0.371 9.878 1.00 0.00 C ATOM 1036 OE1 GLN A 69 91.530 -1.371 10.576 1.00 0.00 O ATOM 1037 NE2 GLN A 69 90.919 0.667 10.020 1.00 0.00 N ATOM 0 H GLN A 69 91.479 -2.589 5.860 1.00 0.00 H new ATOM 0 HA GLN A 69 91.003 -0.011 7.012 1.00 0.00 H new ATOM 0 HB2 GLN A 69 91.932 -2.168 8.115 1.00 0.00 H new ATOM 0 HB3 GLN A 69 93.462 -1.768 7.359 1.00 0.00 H new ATOM 0 HG2 GLN A 69 93.770 -0.567 9.316 1.00 0.00 H new ATOM 0 HG3 GLN A 69 92.903 0.668 8.424 1.00 0.00 H new ATOM 0 HE21 GLN A 69 91.061 1.494 9.440 1.00 0.00 H new ATOM 0 HE22 GLN A 69 90.169 0.651 10.711 1.00 0.00 H new ATOM 1046 N THR A 70 93.333 -0.370 4.752 1.00 0.00 N ATOM 1047 CA THR A 70 94.268 0.353 3.903 1.00 0.00 C ATOM 1048 C THR A 70 93.514 1.372 3.059 1.00 0.00 C ATOM 1049 O THR A 70 93.890 2.542 2.995 1.00 0.00 O ATOM 1050 CB THR A 70 95.013 -0.625 2.992 1.00 0.00 C ATOM 1051 OG1 THR A 70 95.233 -1.843 3.692 1.00 0.00 O ATOM 1052 CG2 THR A 70 96.357 -0.024 2.579 1.00 0.00 C ATOM 0 H THR A 70 93.172 -1.339 4.478 1.00 0.00 H new ATOM 0 HA THR A 70 94.991 0.872 4.532 1.00 0.00 H new ATOM 0 HB THR A 70 94.416 -0.817 2.100 1.00 0.00 H new ATOM 0 HG1 THR A 70 95.842 -2.411 3.176 1.00 0.00 H new ATOM 0 HG21 THR A 70 96.884 -0.723 1.930 1.00 0.00 H new ATOM 0 HG22 THR A 70 96.189 0.911 2.044 1.00 0.00 H new ATOM 0 HG23 THR A 70 96.957 0.170 3.468 1.00 0.00 H new ATOM 1060 N ALA A 71 92.438 0.919 2.420 1.00 0.00 N ATOM 1061 CA ALA A 71 91.626 1.799 1.590 1.00 0.00 C ATOM 1062 C ALA A 71 90.824 2.764 2.457 1.00 0.00 C ATOM 1063 O ALA A 71 90.571 3.898 2.061 1.00 0.00 O ATOM 1064 CB ALA A 71 90.678 0.980 0.712 1.00 0.00 C ATOM 0 H ALA A 71 92.111 -0.046 2.462 1.00 0.00 H new ATOM 0 HA ALA A 71 92.294 2.374 0.949 1.00 0.00 H new ATOM 0 HB1 ALA A 71 90.079 1.652 0.098 1.00 0.00 H new ATOM 0 HB2 ALA A 71 91.258 0.320 0.067 1.00 0.00 H new ATOM 0 HB3 ALA A 71 90.021 0.383 1.344 1.00 0.00 H new ATOM 1070 N LEU A 72 90.423 2.309 3.640 1.00 0.00 N ATOM 1071 CA LEU A 72 89.650 3.157 4.540 1.00 0.00 C ATOM 1072 C LEU A 72 90.373 4.478 4.768 1.00 0.00 C ATOM 1073 O LEU A 72 89.779 5.550 4.657 1.00 0.00 O ATOM 1074 CB LEU A 72 89.446 2.451 5.883 1.00 0.00 C ATOM 1075 CG LEU A 72 88.796 3.418 6.873 1.00 0.00 C ATOM 1076 CD1 LEU A 72 87.703 2.690 7.658 1.00 0.00 C ATOM 1077 CD2 LEU A 72 89.857 3.942 7.845 1.00 0.00 C ATOM 0 H LEU A 72 90.617 1.372 3.994 1.00 0.00 H new ATOM 0 HA LEU A 72 88.680 3.352 4.084 1.00 0.00 H new ATOM 0 HB2 LEU A 72 88.817 1.571 5.751 1.00 0.00 H new ATOM 0 HB3 LEU A 72 90.403 2.103 6.272 1.00 0.00 H new ATOM 0 HG LEU A 72 88.356 4.253 6.328 1.00 0.00 H new ATOM 0 HD11 LEU A 72 87.240 3.380 8.363 1.00 0.00 H new ATOM 0 HD12 LEU A 72 86.947 2.316 6.968 1.00 0.00 H new ATOM 0 HD13 LEU A 72 88.142 1.854 8.203 1.00 0.00 H new ATOM 0 HD21 LEU A 72 89.395 4.632 8.551 1.00 0.00 H new ATOM 0 HD22 LEU A 72 90.297 3.106 8.389 1.00 0.00 H new ATOM 0 HD23 LEU A 72 90.636 4.462 7.288 1.00 0.00 H new ATOM 1089 N ASN A 73 91.661 4.393 5.083 1.00 0.00 N ATOM 1090 CA ASN A 73 92.459 5.591 5.320 1.00 0.00 C ATOM 1091 C ASN A 73 92.716 6.338 4.012 1.00 0.00 C ATOM 1092 O ASN A 73 92.795 7.566 3.993 1.00 0.00 O ATOM 1093 CB ASN A 73 93.796 5.208 5.960 1.00 0.00 C ATOM 1094 CG ASN A 73 93.759 5.497 7.457 1.00 0.00 C ATOM 1095 OD1 ASN A 73 94.243 6.538 7.902 1.00 0.00 O ATOM 1096 ND2 ASN A 73 93.212 4.631 8.267 1.00 0.00 N ATOM 0 H ASN A 73 92.171 3.515 5.180 1.00 0.00 H new ATOM 0 HA ASN A 73 91.904 6.244 5.993 1.00 0.00 H new ATOM 0 HB2 ASN A 73 94.000 4.151 5.790 1.00 0.00 H new ATOM 0 HB3 ASN A 73 94.606 5.768 5.493 1.00 0.00 H new ATOM 0 HD21 ASN A 73 93.185 4.817 9.270 1.00 0.00 H new ATOM 0 HD22 ASN A 73 92.811 3.769 7.897 1.00 0.00 H new ATOM 1103 N SER A 74 92.852 5.586 2.922 1.00 0.00 N ATOM 1104 CA SER A 74 93.109 6.184 1.613 1.00 0.00 C ATOM 1105 C SER A 74 91.877 6.915 1.086 1.00 0.00 C ATOM 1106 O SER A 74 91.968 8.055 0.633 1.00 0.00 O ATOM 1107 CB SER A 74 93.521 5.098 0.619 1.00 0.00 C ATOM 1108 OG SER A 74 94.221 4.073 1.310 1.00 0.00 O ATOM 0 H SER A 74 92.789 4.568 2.918 1.00 0.00 H new ATOM 0 HA SER A 74 93.916 6.908 1.726 1.00 0.00 H new ATOM 0 HB2 SER A 74 92.640 4.685 0.127 1.00 0.00 H new ATOM 0 HB3 SER A 74 94.152 5.523 -0.162 1.00 0.00 H new ATOM 0 HG SER A 74 93.598 3.581 1.884 1.00 0.00 H new ATOM 1114 N LEU A 75 90.726 6.254 1.149 1.00 0.00 N ATOM 1115 CA LEU A 75 89.488 6.854 0.670 1.00 0.00 C ATOM 1116 C LEU A 75 89.378 8.280 1.173 1.00 0.00 C ATOM 1117 O LEU A 75 89.391 9.240 0.401 1.00 0.00 O ATOM 1118 CB LEU A 75 88.288 6.071 1.204 1.00 0.00 C ATOM 1119 CG LEU A 75 88.188 4.743 0.473 1.00 0.00 C ATOM 1120 CD1 LEU A 75 87.537 3.695 1.378 1.00 0.00 C ATOM 1121 CD2 LEU A 75 87.341 4.927 -0.788 1.00 0.00 C ATOM 0 H LEU A 75 90.625 5.311 1.524 1.00 0.00 H new ATOM 0 HA LEU A 75 89.496 6.836 -0.420 1.00 0.00 H new ATOM 0 HB2 LEU A 75 88.397 5.902 2.275 1.00 0.00 H new ATOM 0 HB3 LEU A 75 87.373 6.646 1.064 1.00 0.00 H new ATOM 0 HG LEU A 75 89.188 4.404 0.201 1.00 0.00 H new ATOM 0 HD11 LEU A 75 87.469 2.746 0.846 1.00 0.00 H new ATOM 0 HD12 LEU A 75 88.140 3.565 2.276 1.00 0.00 H new ATOM 0 HD13 LEU A 75 86.537 4.026 1.657 1.00 0.00 H new ATOM 0 HD21 LEU A 75 87.265 3.977 -1.317 1.00 0.00 H new ATOM 0 HD22 LEU A 75 86.344 5.268 -0.510 1.00 0.00 H new ATOM 0 HD23 LEU A 75 87.810 5.667 -1.436 1.00 0.00 H new ATOM 1133 N ALA A 76 89.263 8.392 2.484 1.00 0.00 N ATOM 1134 CA ALA A 76 89.139 9.692 3.134 1.00 0.00 C ATOM 1135 C ALA A 76 90.170 10.672 2.584 1.00 0.00 C ATOM 1136 O ALA A 76 89.992 11.886 2.669 1.00 0.00 O ATOM 1137 CB ALA A 76 89.329 9.540 4.644 1.00 0.00 C ATOM 0 H ALA A 76 89.252 7.598 3.124 1.00 0.00 H new ATOM 0 HA ALA A 76 88.142 10.084 2.930 1.00 0.00 H new ATOM 0 HB1 ALA A 76 89.235 10.515 5.122 1.00 0.00 H new ATOM 0 HB2 ALA A 76 88.569 8.866 5.040 1.00 0.00 H new ATOM 0 HB3 ALA A 76 90.318 9.130 4.847 1.00 0.00 H new ATOM 1143 N GLY A 77 91.247 10.137 2.017 1.00 0.00 N ATOM 1144 CA GLY A 77 92.296 10.980 1.455 1.00 0.00 C ATOM 1145 C GLY A 77 91.764 11.791 0.279 1.00 0.00 C ATOM 1146 O GLY A 77 92.076 12.974 0.135 1.00 0.00 O ATOM 0 H GLY A 77 91.415 9.134 1.935 1.00 0.00 H new ATOM 0 HA2 GLY A 77 92.680 11.652 2.223 1.00 0.00 H new ATOM 0 HA3 GLY A 77 93.131 10.360 1.128 1.00 0.00 H new ATOM 1150 N TYR A 78 90.960 11.146 -0.560 1.00 0.00 N ATOM 1151 CA TYR A 78 90.389 11.815 -1.722 1.00 0.00 C ATOM 1152 C TYR A 78 89.284 12.780 -1.301 1.00 0.00 C ATOM 1153 O TYR A 78 89.107 13.837 -1.906 1.00 0.00 O ATOM 1154 CB TYR A 78 89.821 10.781 -2.696 1.00 0.00 C ATOM 1155 CG TYR A 78 88.994 11.485 -3.747 1.00 0.00 C ATOM 1156 CD1 TYR A 78 89.622 12.078 -4.849 1.00 0.00 C ATOM 1157 CD2 TYR A 78 87.602 11.546 -3.617 1.00 0.00 C ATOM 1158 CE1 TYR A 78 88.856 12.732 -5.822 1.00 0.00 C ATOM 1159 CE2 TYR A 78 86.836 12.199 -4.590 1.00 0.00 C ATOM 1160 CZ TYR A 78 87.463 12.792 -5.693 1.00 0.00 C ATOM 1161 OH TYR A 78 86.708 13.438 -6.650 1.00 0.00 O ATOM 0 H TYR A 78 90.691 10.167 -0.458 1.00 0.00 H new ATOM 0 HA TYR A 78 91.181 12.381 -2.213 1.00 0.00 H new ATOM 0 HB2 TYR A 78 90.631 10.225 -3.167 1.00 0.00 H new ATOM 0 HB3 TYR A 78 89.208 10.057 -2.159 1.00 0.00 H new ATOM 0 HD1 TYR A 78 90.696 12.031 -4.949 1.00 0.00 H new ATOM 0 HD2 TYR A 78 87.119 11.089 -2.766 1.00 0.00 H new ATOM 0 HE1 TYR A 78 89.340 13.190 -6.672 1.00 0.00 H new ATOM 0 HE2 TYR A 78 85.762 12.245 -4.490 1.00 0.00 H new ATOM 0 HH TYR A 78 85.760 13.386 -6.408 1.00 0.00 H new ATOM 1171 N TYR A 79 88.541 12.409 -0.264 1.00 0.00 N ATOM 1172 CA TYR A 79 87.454 13.252 0.225 1.00 0.00 C ATOM 1173 C TYR A 79 88.004 14.419 1.038 1.00 0.00 C ATOM 1174 O TYR A 79 87.586 15.564 0.859 1.00 0.00 O ATOM 1175 CB TYR A 79 86.503 12.428 1.095 1.00 0.00 C ATOM 1176 CG TYR A 79 85.762 13.344 2.041 1.00 0.00 C ATOM 1177 CD1 TYR A 79 84.689 14.113 1.576 1.00 0.00 C ATOM 1178 CD2 TYR A 79 86.149 13.423 3.385 1.00 0.00 C ATOM 1179 CE1 TYR A 79 84.002 14.962 2.454 1.00 0.00 C ATOM 1180 CE2 TYR A 79 85.463 14.272 4.262 1.00 0.00 C ATOM 1181 CZ TYR A 79 84.391 15.041 3.797 1.00 0.00 C ATOM 1182 OH TYR A 79 83.715 15.877 4.662 1.00 0.00 O ATOM 0 H TYR A 79 88.669 11.538 0.251 1.00 0.00 H new ATOM 0 HA TYR A 79 86.912 13.645 -0.635 1.00 0.00 H new ATOM 0 HB2 TYR A 79 85.795 11.887 0.467 1.00 0.00 H new ATOM 0 HB3 TYR A 79 87.063 11.682 1.659 1.00 0.00 H new ATOM 0 HD1 TYR A 79 84.390 14.052 0.540 1.00 0.00 H new ATOM 0 HD2 TYR A 79 86.976 12.829 3.745 1.00 0.00 H new ATOM 0 HE1 TYR A 79 83.173 15.555 2.095 1.00 0.00 H new ATOM 0 HE2 TYR A 79 85.762 14.333 5.298 1.00 0.00 H new ATOM 0 HH TYR A 79 84.111 15.812 5.556 1.00 0.00 H new ATOM 1192 N THR A 80 88.941 14.122 1.931 1.00 0.00 N ATOM 1193 CA THR A 80 89.541 15.154 2.769 1.00 0.00 C ATOM 1194 C THR A 80 90.174 16.244 1.909 1.00 0.00 C ATOM 1195 O THR A 80 90.290 17.393 2.335 1.00 0.00 O ATOM 1196 CB THR A 80 90.605 14.533 3.678 1.00 0.00 C ATOM 1197 OG1 THR A 80 89.976 13.677 4.623 1.00 0.00 O ATOM 1198 CG2 THR A 80 91.360 15.640 4.415 1.00 0.00 C ATOM 0 H THR A 80 89.300 13.181 2.093 1.00 0.00 H new ATOM 0 HA THR A 80 88.757 15.602 3.380 1.00 0.00 H new ATOM 0 HB THR A 80 91.307 13.958 3.075 1.00 0.00 H new ATOM 0 HG1 THR A 80 89.800 12.806 4.209 1.00 0.00 H new ATOM 0 HG21 THR A 80 92.117 15.196 5.062 1.00 0.00 H new ATOM 0 HG22 THR A 80 91.842 16.297 3.690 1.00 0.00 H new ATOM 0 HG23 THR A 80 90.660 16.218 5.019 1.00 0.00 H new ATOM 1206 N SER A 81 90.583 15.875 0.699 1.00 0.00 N ATOM 1207 CA SER A 81 91.204 16.832 -0.211 1.00 0.00 C ATOM 1208 C SER A 81 90.159 17.454 -1.132 1.00 0.00 C ATOM 1209 O SER A 81 89.095 16.878 -1.357 1.00 0.00 O ATOM 1210 CB SER A 81 92.278 16.137 -1.048 1.00 0.00 C ATOM 1211 OG SER A 81 92.018 16.364 -2.427 1.00 0.00 O ATOM 0 H SER A 81 90.497 14.929 0.328 1.00 0.00 H new ATOM 0 HA SER A 81 91.663 17.623 0.383 1.00 0.00 H new ATOM 0 HB2 SER A 81 93.264 16.519 -0.784 1.00 0.00 H new ATOM 0 HB3 SER A 81 92.283 15.067 -0.838 1.00 0.00 H new ATOM 0 HG SER A 81 92.706 15.921 -2.967 1.00 0.00 H new ATOM 1217 N TYR A 82 90.471 18.634 -1.661 1.00 0.00 N ATOM 1218 CA TYR A 82 89.551 19.327 -2.556 1.00 0.00 C ATOM 1219 C TYR A 82 89.572 18.693 -3.943 1.00 0.00 C ATOM 1220 O TYR A 82 89.187 19.321 -4.929 1.00 0.00 O ATOM 1221 CB TYR A 82 89.942 20.802 -2.665 1.00 0.00 C ATOM 1222 CG TYR A 82 89.248 21.591 -1.581 1.00 0.00 C ATOM 1223 CD1 TYR A 82 89.810 21.666 -0.302 1.00 0.00 C ATOM 1224 CD2 TYR A 82 88.044 22.249 -1.856 1.00 0.00 C ATOM 1225 CE1 TYR A 82 89.168 22.398 0.704 1.00 0.00 C ATOM 1226 CE2 TYR A 82 87.400 22.981 -0.852 1.00 0.00 C ATOM 1227 CZ TYR A 82 87.963 23.056 0.429 1.00 0.00 C ATOM 1228 OH TYR A 82 87.331 23.778 1.420 1.00 0.00 O ATOM 0 H TYR A 82 91.347 19.127 -1.487 1.00 0.00 H new ATOM 0 HA TYR A 82 88.545 19.245 -2.146 1.00 0.00 H new ATOM 0 HB2 TYR A 82 91.023 20.910 -2.572 1.00 0.00 H new ATOM 0 HB3 TYR A 82 89.666 21.190 -3.645 1.00 0.00 H new ATOM 0 HD1 TYR A 82 90.740 21.159 -0.091 1.00 0.00 H new ATOM 0 HD2 TYR A 82 87.611 22.192 -2.844 1.00 0.00 H new ATOM 0 HE1 TYR A 82 89.602 22.455 1.691 1.00 0.00 H new ATOM 0 HE2 TYR A 82 86.470 23.488 -1.064 1.00 0.00 H new ATOM 0 HH TYR A 82 86.508 24.173 1.063 1.00 0.00 H new ATOM 1238 N GLY A 83 90.023 17.445 -4.012 1.00 0.00 N ATOM 1239 CA GLY A 83 90.089 16.737 -5.284 1.00 0.00 C ATOM 1240 C GLY A 83 88.695 16.345 -5.762 1.00 0.00 C ATOM 1241 O GLY A 83 88.116 15.371 -5.284 1.00 0.00 O ATOM 0 H GLY A 83 90.346 16.907 -3.208 1.00 0.00 H new ATOM 0 HA2 GLY A 83 90.570 17.368 -6.031 1.00 0.00 H new ATOM 0 HA3 GLY A 83 90.705 15.844 -5.176 1.00 0.00 H new ATOM 1245 N ALA A 84 88.163 17.110 -6.711 1.00 0.00 N ATOM 1246 CA ALA A 84 86.836 16.830 -7.248 1.00 0.00 C ATOM 1247 C ALA A 84 86.932 16.372 -8.698 1.00 0.00 C ATOM 1248 O ALA A 84 86.085 16.710 -9.526 1.00 0.00 O ATOM 1249 CB ALA A 84 85.960 18.082 -7.159 1.00 0.00 C ATOM 0 H ALA A 84 88.626 17.921 -7.121 1.00 0.00 H new ATOM 0 HA ALA A 84 86.386 16.032 -6.657 1.00 0.00 H new ATOM 0 HB1 ALA A 84 84.971 17.864 -7.562 1.00 0.00 H new ATOM 0 HB2 ALA A 84 85.868 18.388 -6.117 1.00 0.00 H new ATOM 0 HB3 ALA A 84 86.417 18.887 -7.734 1.00 0.00 H new ATOM 1255 N ARG A 85 87.970 15.599 -8.996 1.00 0.00 N ATOM 1256 CA ARG A 85 88.176 15.090 -10.347 1.00 0.00 C ATOM 1257 C ARG A 85 89.515 14.361 -10.452 1.00 0.00 C ATOM 1258 O ARG A 85 89.574 13.224 -10.919 1.00 0.00 O ATOM 1259 CB ARG A 85 88.125 16.237 -11.362 1.00 0.00 C ATOM 1260 CG ARG A 85 86.925 16.044 -12.290 1.00 0.00 C ATOM 1261 CD ARG A 85 86.797 17.254 -13.217 1.00 0.00 C ATOM 1262 NE ARG A 85 85.940 18.266 -12.609 1.00 0.00 N ATOM 1263 CZ ARG A 85 84.644 18.044 -12.416 1.00 0.00 C ATOM 1264 NH1 ARG A 85 84.114 16.907 -12.778 1.00 0.00 N ATOM 1265 NH2 ARG A 85 83.899 18.962 -11.863 1.00 0.00 N ATOM 0 H ARG A 85 88.680 15.312 -8.323 1.00 0.00 H new ATOM 0 HA ARG A 85 87.377 14.383 -10.570 1.00 0.00 H new ATOM 0 HB2 ARG A 85 88.047 17.193 -10.843 1.00 0.00 H new ATOM 0 HB3 ARG A 85 89.047 16.264 -11.943 1.00 0.00 H new ATOM 0 HG2 ARG A 85 87.049 15.134 -12.877 1.00 0.00 H new ATOM 0 HG3 ARG A 85 86.014 15.924 -11.704 1.00 0.00 H new ATOM 0 HD2 ARG A 85 87.783 17.674 -13.417 1.00 0.00 H new ATOM 0 HD3 ARG A 85 86.382 16.944 -14.176 1.00 0.00 H new ATOM 0 HE ARG A 85 86.343 19.160 -12.327 1.00 0.00 H new ATOM 0 HH11 ARG A 85 84.695 16.188 -13.209 1.00 0.00 H new ATOM 0 HH12 ARG A 85 83.119 16.738 -12.629 1.00 0.00 H new ATOM 0 HH21 ARG A 85 84.311 19.851 -11.579 1.00 0.00 H new ATOM 0 HH22 ARG A 85 82.904 18.791 -11.715 1.00 0.00 H new ATOM 1279 N PRO A 86 90.584 14.988 -10.026 1.00 0.00 N ATOM 1280 CA PRO A 86 91.943 14.382 -10.073 1.00 0.00 C ATOM 1281 C PRO A 86 92.203 13.460 -8.883 1.00 0.00 C ATOM 1282 O PRO A 86 92.339 13.920 -7.749 1.00 0.00 O ATOM 1283 CB PRO A 86 92.867 15.596 -10.032 1.00 0.00 C ATOM 1284 CG PRO A 86 92.114 16.637 -9.267 1.00 0.00 C ATOM 1285 CD PRO A 86 90.621 16.346 -9.456 1.00 0.00 C ATOM 0 HA PRO A 86 92.087 13.753 -10.952 1.00 0.00 H new ATOM 0 HB2 PRO A 86 93.812 15.355 -9.544 1.00 0.00 H new ATOM 0 HB3 PRO A 86 93.107 15.943 -11.037 1.00 0.00 H new ATOM 0 HG2 PRO A 86 92.381 16.607 -8.211 1.00 0.00 H new ATOM 0 HG3 PRO A 86 92.361 17.635 -9.630 1.00 0.00 H new ATOM 0 HD2 PRO A 86 90.083 16.395 -8.509 1.00 0.00 H new ATOM 0 HD3 PRO A 86 90.156 17.071 -10.124 1.00 0.00 H new ATOM 1293 N ILE A 87 92.270 12.158 -9.148 1.00 0.00 N ATOM 1294 CA ILE A 87 92.512 11.188 -8.085 1.00 0.00 C ATOM 1295 C ILE A 87 93.915 10.571 -8.234 1.00 0.00 C ATOM 1296 O ILE A 87 94.160 9.804 -9.165 1.00 0.00 O ATOM 1297 CB ILE A 87 91.443 10.088 -8.142 1.00 0.00 C ATOM 1298 CG1 ILE A 87 91.498 9.231 -6.872 1.00 0.00 C ATOM 1299 CG2 ILE A 87 91.682 9.192 -9.359 1.00 0.00 C ATOM 1300 CD1 ILE A 87 90.078 8.821 -6.475 1.00 0.00 C ATOM 0 H ILE A 87 92.162 11.754 -10.078 1.00 0.00 H new ATOM 0 HA ILE A 87 92.457 11.694 -7.121 1.00 0.00 H new ATOM 0 HB ILE A 87 90.463 10.560 -8.219 1.00 0.00 H new ATOM 0 HG12 ILE A 87 92.110 8.345 -7.044 1.00 0.00 H new ATOM 0 HG13 ILE A 87 91.967 9.790 -6.062 1.00 0.00 H new ATOM 0 HG21 ILE A 87 90.920 8.414 -9.393 1.00 0.00 H new ATOM 0 HG22 ILE A 87 91.630 9.791 -10.268 1.00 0.00 H new ATOM 0 HG23 ILE A 87 92.667 8.732 -9.284 1.00 0.00 H new ATOM 0 HD11 ILE A 87 90.114 8.211 -5.572 1.00 0.00 H new ATOM 0 HD12 ILE A 87 89.481 9.713 -6.287 1.00 0.00 H new ATOM 0 HD13 ILE A 87 89.626 8.246 -7.283 1.00 0.00 H new ATOM 1312 N PRO A 88 94.842 10.891 -7.355 1.00 0.00 N ATOM 1313 CA PRO A 88 96.233 10.349 -7.427 1.00 0.00 C ATOM 1314 C PRO A 88 96.270 8.844 -7.690 1.00 0.00 C ATOM 1315 O PRO A 88 95.265 8.149 -7.537 1.00 0.00 O ATOM 1316 CB PRO A 88 96.818 10.673 -6.054 1.00 0.00 C ATOM 1317 CG PRO A 88 96.077 11.880 -5.588 1.00 0.00 C ATOM 1318 CD PRO A 88 94.679 11.799 -6.203 1.00 0.00 C ATOM 0 HA PRO A 88 96.792 10.787 -8.254 1.00 0.00 H new ATOM 0 HB2 PRO A 88 96.687 9.840 -5.364 1.00 0.00 H new ATOM 0 HB3 PRO A 88 97.888 10.869 -6.118 1.00 0.00 H new ATOM 0 HG2 PRO A 88 96.021 11.904 -4.500 1.00 0.00 H new ATOM 0 HG3 PRO A 88 96.586 12.792 -5.901 1.00 0.00 H new ATOM 0 HD2 PRO A 88 93.952 11.411 -5.490 1.00 0.00 H new ATOM 0 HD3 PRO A 88 94.325 12.781 -6.517 1.00 0.00 H new ATOM 1326 N GLU A 89 97.444 8.352 -8.081 1.00 0.00 N ATOM 1327 CA GLU A 89 97.623 6.936 -8.358 1.00 0.00 C ATOM 1328 C GLU A 89 97.539 6.133 -7.070 1.00 0.00 C ATOM 1329 O GLU A 89 97.324 4.928 -7.092 1.00 0.00 O ATOM 1330 CB GLU A 89 98.982 6.698 -9.019 1.00 0.00 C ATOM 1331 CG GLU A 89 99.051 7.469 -10.338 1.00 0.00 C ATOM 1332 CD GLU A 89 100.485 7.916 -10.607 1.00 0.00 C ATOM 1333 OE1 GLU A 89 101.391 7.221 -10.177 1.00 0.00 O ATOM 1334 OE2 GLU A 89 100.655 8.945 -11.239 1.00 0.00 O ATOM 0 H GLU A 89 98.283 8.917 -8.212 1.00 0.00 H new ATOM 0 HA GLU A 89 96.831 6.612 -9.034 1.00 0.00 H new ATOM 0 HB2 GLU A 89 99.783 7.022 -8.354 1.00 0.00 H new ATOM 0 HB3 GLU A 89 99.129 5.633 -9.200 1.00 0.00 H new ATOM 0 HG2 GLU A 89 98.698 6.840 -11.155 1.00 0.00 H new ATOM 0 HG3 GLU A 89 98.393 8.337 -10.296 1.00 0.00 H new ATOM 1341 N LYS A 90 97.706 6.813 -5.946 1.00 0.00 N ATOM 1342 CA LYS A 90 97.639 6.151 -4.655 1.00 0.00 C ATOM 1343 C LYS A 90 96.204 5.756 -4.363 1.00 0.00 C ATOM 1344 O LYS A 90 95.926 4.618 -4.006 1.00 0.00 O ATOM 1345 CB LYS A 90 98.149 7.087 -3.560 1.00 0.00 C ATOM 1346 CG LYS A 90 99.647 6.855 -3.351 1.00 0.00 C ATOM 1347 CD LYS A 90 100.232 7.999 -2.521 1.00 0.00 C ATOM 1348 CE LYS A 90 101.284 7.442 -1.560 1.00 0.00 C ATOM 1349 NZ LYS A 90 102.378 6.798 -2.341 1.00 0.00 N ATOM 0 H LYS A 90 97.888 7.816 -5.902 1.00 0.00 H new ATOM 0 HA LYS A 90 98.264 5.259 -4.677 1.00 0.00 H new ATOM 0 HB2 LYS A 90 97.966 8.125 -3.839 1.00 0.00 H new ATOM 0 HB3 LYS A 90 97.609 6.906 -2.631 1.00 0.00 H new ATOM 0 HG2 LYS A 90 99.811 5.904 -2.844 1.00 0.00 H new ATOM 0 HG3 LYS A 90 100.154 6.795 -4.314 1.00 0.00 H new ATOM 0 HD2 LYS A 90 100.681 8.746 -3.176 1.00 0.00 H new ATOM 0 HD3 LYS A 90 99.441 8.499 -1.962 1.00 0.00 H new ATOM 0 HE2 LYS A 90 101.687 8.243 -0.941 1.00 0.00 H new ATOM 0 HE3 LYS A 90 100.829 6.717 -0.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 103.202 6.648 -1.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 102.049 5.882 -2.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 102.647 7.414 -3.135 1.00 0.00 H new ATOM 1363 N LEU A 91 95.295 6.701 -4.556 1.00 0.00 N ATOM 1364 CA LEU A 91 93.886 6.450 -4.342 1.00 0.00 C ATOM 1365 C LEU A 91 93.403 5.500 -5.412 1.00 0.00 C ATOM 1366 O LEU A 91 92.658 4.565 -5.145 1.00 0.00 O ATOM 1367 CB LEU A 91 93.107 7.761 -4.437 1.00 0.00 C ATOM 1368 CG LEU A 91 93.279 8.563 -3.147 1.00 0.00 C ATOM 1369 CD1 LEU A 91 92.500 7.899 -2.009 1.00 0.00 C ATOM 1370 CD2 LEU A 91 94.761 8.626 -2.776 1.00 0.00 C ATOM 0 H LEU A 91 95.514 7.649 -4.861 1.00 0.00 H new ATOM 0 HA LEU A 91 93.731 6.017 -3.354 1.00 0.00 H new ATOM 0 HB2 LEU A 91 93.461 8.344 -5.288 1.00 0.00 H new ATOM 0 HB3 LEU A 91 92.051 7.555 -4.609 1.00 0.00 H new ATOM 0 HG LEU A 91 92.897 9.572 -3.303 1.00 0.00 H new ATOM 0 HD11 LEU A 91 92.629 8.477 -1.094 1.00 0.00 H new ATOM 0 HD12 LEU A 91 91.442 7.859 -2.267 1.00 0.00 H new ATOM 0 HD13 LEU A 91 92.874 6.887 -1.854 1.00 0.00 H new ATOM 0 HD21 LEU A 91 94.882 9.198 -1.856 1.00 0.00 H new ATOM 0 HD22 LEU A 91 95.142 7.616 -2.628 1.00 0.00 H new ATOM 0 HD23 LEU A 91 95.317 9.109 -3.579 1.00 0.00 H new ATOM 1382 N LYS A 92 93.859 5.745 -6.631 1.00 0.00 N ATOM 1383 CA LYS A 92 93.495 4.902 -7.746 1.00 0.00 C ATOM 1384 C LYS A 92 94.103 3.523 -7.559 1.00 0.00 C ATOM 1385 O LYS A 92 93.393 2.532 -7.545 1.00 0.00 O ATOM 1386 CB LYS A 92 93.982 5.510 -9.061 1.00 0.00 C ATOM 1387 CG LYS A 92 93.169 4.933 -10.223 1.00 0.00 C ATOM 1388 CD LYS A 92 92.016 5.880 -10.561 1.00 0.00 C ATOM 1389 CE LYS A 92 91.255 5.346 -11.777 1.00 0.00 C ATOM 1390 NZ LYS A 92 90.052 6.190 -12.020 1.00 0.00 N ATOM 0 H LYS A 92 94.479 6.519 -6.867 1.00 0.00 H new ATOM 0 HA LYS A 92 92.409 4.820 -7.785 1.00 0.00 H new ATOM 0 HB2 LYS A 92 93.877 6.595 -9.033 1.00 0.00 H new ATOM 0 HB3 LYS A 92 95.041 5.296 -9.203 1.00 0.00 H new ATOM 0 HG2 LYS A 92 93.808 4.796 -11.095 1.00 0.00 H new ATOM 0 HG3 LYS A 92 92.780 3.951 -9.956 1.00 0.00 H new ATOM 0 HD2 LYS A 92 91.343 5.969 -9.708 1.00 0.00 H new ATOM 0 HD3 LYS A 92 92.401 6.878 -10.769 1.00 0.00 H new ATOM 0 HE2 LYS A 92 91.901 5.353 -12.655 1.00 0.00 H new ATOM 0 HE3 LYS A 92 90.958 4.311 -11.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 89.535 5.827 -12.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 89.433 6.162 -11.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 90.347 7.171 -12.199 1.00 0.00 H new ATOM 1404 N LYS A 93 95.422 3.467 -7.397 1.00 0.00 N ATOM 1405 CA LYS A 93 96.095 2.187 -7.199 1.00 0.00 C ATOM 1406 C LYS A 93 95.548 1.496 -5.961 1.00 0.00 C ATOM 1407 O LYS A 93 95.389 0.279 -5.939 1.00 0.00 O ATOM 1408 CB LYS A 93 97.609 2.376 -7.064 1.00 0.00 C ATOM 1409 CG LYS A 93 98.299 1.009 -7.023 1.00 0.00 C ATOM 1410 CD LYS A 93 99.392 1.023 -5.953 1.00 0.00 C ATOM 1411 CE LYS A 93 100.386 -0.109 -6.223 1.00 0.00 C ATOM 1412 NZ LYS A 93 101.400 0.347 -7.213 1.00 0.00 N ATOM 0 H LYS A 93 96.038 4.280 -7.399 1.00 0.00 H new ATOM 0 HA LYS A 93 95.904 1.565 -8.074 1.00 0.00 H new ATOM 0 HB2 LYS A 93 97.988 2.960 -7.902 1.00 0.00 H new ATOM 0 HB3 LYS A 93 97.836 2.936 -6.157 1.00 0.00 H new ATOM 0 HG2 LYS A 93 97.571 0.228 -6.804 1.00 0.00 H new ATOM 0 HG3 LYS A 93 98.731 0.778 -7.997 1.00 0.00 H new ATOM 0 HD2 LYS A 93 99.908 1.983 -5.958 1.00 0.00 H new ATOM 0 HD3 LYS A 93 98.949 0.904 -4.964 1.00 0.00 H new ATOM 0 HE2 LYS A 93 100.876 -0.406 -5.296 1.00 0.00 H new ATOM 0 HE3 LYS A 93 99.861 -0.986 -6.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 102.076 -0.422 -7.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 100.925 0.610 -8.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 101.908 1.172 -6.835 1.00 0.00 H new ATOM 1426 N ARG A 94 95.254 2.284 -4.944 1.00 0.00 N ATOM 1427 CA ARG A 94 94.710 1.742 -3.702 1.00 0.00 C ATOM 1428 C ARG A 94 93.257 1.334 -3.906 1.00 0.00 C ATOM 1429 O ARG A 94 92.876 0.206 -3.600 1.00 0.00 O ATOM 1430 CB ARG A 94 94.810 2.773 -2.572 1.00 0.00 C ATOM 1431 CG ARG A 94 94.234 2.185 -1.282 1.00 0.00 C ATOM 1432 CD ARG A 94 95.324 2.137 -0.209 1.00 0.00 C ATOM 1433 NE ARG A 94 95.995 3.428 -0.108 1.00 0.00 N ATOM 1434 CZ ARG A 94 97.215 3.528 0.411 1.00 0.00 C ATOM 1435 NH1 ARG A 94 97.829 2.462 0.846 1.00 0.00 N ATOM 1436 NH2 ARG A 94 97.798 4.693 0.486 1.00 0.00 N ATOM 0 H ARG A 94 95.380 3.296 -4.948 1.00 0.00 H new ATOM 0 HA ARG A 94 95.294 0.865 -3.422 1.00 0.00 H new ATOM 0 HB2 ARG A 94 95.851 3.059 -2.419 1.00 0.00 H new ATOM 0 HB3 ARG A 94 94.267 3.678 -2.844 1.00 0.00 H new ATOM 0 HG2 ARG A 94 93.396 2.791 -0.937 1.00 0.00 H new ATOM 0 HG3 ARG A 94 93.848 1.183 -1.468 1.00 0.00 H new ATOM 0 HD2 ARG A 94 94.885 1.872 0.753 1.00 0.00 H new ATOM 0 HD3 ARG A 94 96.049 1.361 -0.453 1.00 0.00 H new ATOM 0 HE ARG A 94 95.521 4.268 -0.441 1.00 0.00 H new ATOM 0 HH11 ARG A 94 97.373 1.551 0.788 1.00 0.00 H new ATOM 0 HH12 ARG A 94 98.765 2.539 1.244 1.00 0.00 H new ATOM 0 HH21 ARG A 94 97.318 5.526 0.147 1.00 0.00 H new ATOM 0 HH22 ARG A 94 98.734 4.770 0.884 1.00 0.00 H new ATOM 1450 N LEU A 95 92.450 2.246 -4.441 1.00 0.00 N ATOM 1451 CA LEU A 95 91.049 1.941 -4.694 1.00 0.00 C ATOM 1452 C LEU A 95 90.963 0.888 -5.775 1.00 0.00 C ATOM 1453 O LEU A 95 90.066 0.054 -5.776 1.00 0.00 O ATOM 1454 CB LEU A 95 90.283 3.189 -5.133 1.00 0.00 C ATOM 1455 CG LEU A 95 90.266 4.191 -3.983 1.00 0.00 C ATOM 1456 CD1 LEU A 95 90.075 5.612 -4.523 1.00 0.00 C ATOM 1457 CD2 LEU A 95 89.109 3.859 -3.042 1.00 0.00 C ATOM 0 H LEU A 95 92.738 3.188 -4.704 1.00 0.00 H new ATOM 0 HA LEU A 95 90.599 1.574 -3.771 1.00 0.00 H new ATOM 0 HB2 LEU A 95 90.755 3.631 -6.011 1.00 0.00 H new ATOM 0 HB3 LEU A 95 89.264 2.925 -5.418 1.00 0.00 H new ATOM 0 HG LEU A 95 91.214 4.133 -3.449 1.00 0.00 H new ATOM 0 HD11 LEU A 95 90.064 6.318 -3.693 1.00 0.00 H new ATOM 0 HD12 LEU A 95 90.895 5.858 -5.198 1.00 0.00 H new ATOM 0 HD13 LEU A 95 89.130 5.672 -5.063 1.00 0.00 H new ATOM 0 HD21 LEU A 95 89.093 4.573 -2.219 1.00 0.00 H new ATOM 0 HD22 LEU A 95 88.168 3.915 -3.589 1.00 0.00 H new ATOM 0 HD23 LEU A 95 89.239 2.852 -2.646 1.00 0.00 H new ATOM 1469 N GLN A 96 91.935 0.929 -6.677 1.00 0.00 N ATOM 1470 CA GLN A 96 92.007 -0.046 -7.763 1.00 0.00 C ATOM 1471 C GLN A 96 92.502 -1.358 -7.199 1.00 0.00 C ATOM 1472 O GLN A 96 91.918 -2.409 -7.436 1.00 0.00 O ATOM 1473 CB GLN A 96 92.947 0.418 -8.880 1.00 0.00 C ATOM 1474 CG GLN A 96 92.977 -0.639 -9.986 1.00 0.00 C ATOM 1475 CD GLN A 96 92.695 0.011 -11.337 1.00 0.00 C ATOM 1476 OE1 GLN A 96 91.825 -0.447 -12.077 1.00 0.00 O ATOM 1477 NE2 GLN A 96 93.382 1.058 -11.704 1.00 0.00 N ATOM 0 H GLN A 96 92.683 1.623 -6.681 1.00 0.00 H new ATOM 0 HA GLN A 96 91.013 -0.160 -8.195 1.00 0.00 H new ATOM 0 HB2 GLN A 96 92.609 1.373 -9.283 1.00 0.00 H new ATOM 0 HB3 GLN A 96 93.950 0.576 -8.485 1.00 0.00 H new ATOM 0 HG2 GLN A 96 93.950 -1.129 -10.005 1.00 0.00 H new ATOM 0 HG3 GLN A 96 92.235 -1.411 -9.783 1.00 0.00 H new ATOM 0 HE21 GLN A 96 94.103 1.436 -11.089 1.00 0.00 H new ATOM 0 HE22 GLN A 96 93.198 1.498 -12.606 1.00 0.00 H new ATOM 1486 N LEU A 97 93.567 -1.279 -6.417 1.00 0.00 N ATOM 1487 CA LEU A 97 94.115 -2.464 -5.781 1.00 0.00 C ATOM 1488 C LEU A 97 93.071 -3.007 -4.824 1.00 0.00 C ATOM 1489 O LEU A 97 92.899 -4.213 -4.688 1.00 0.00 O ATOM 1490 CB LEU A 97 95.399 -2.131 -5.015 1.00 0.00 C ATOM 1491 CG LEU A 97 95.859 -3.358 -4.224 1.00 0.00 C ATOM 1492 CD1 LEU A 97 95.995 -4.555 -5.167 1.00 0.00 C ATOM 1493 CD2 LEU A 97 97.213 -3.065 -3.577 1.00 0.00 C ATOM 0 H LEU A 97 94.065 -0.414 -6.209 1.00 0.00 H new ATOM 0 HA LEU A 97 94.364 -3.205 -6.541 1.00 0.00 H new ATOM 0 HB2 LEU A 97 96.179 -1.821 -5.710 1.00 0.00 H new ATOM 0 HB3 LEU A 97 95.224 -1.294 -4.338 1.00 0.00 H new ATOM 0 HG LEU A 97 95.125 -3.588 -3.451 1.00 0.00 H new ATOM 0 HD11 LEU A 97 96.323 -5.428 -4.602 1.00 0.00 H new ATOM 0 HD12 LEU A 97 95.031 -4.764 -5.631 1.00 0.00 H new ATOM 0 HD13 LEU A 97 96.728 -4.327 -5.941 1.00 0.00 H new ATOM 0 HD21 LEU A 97 97.543 -3.937 -3.013 1.00 0.00 H new ATOM 0 HD22 LEU A 97 97.945 -2.836 -4.352 1.00 0.00 H new ATOM 0 HD23 LEU A 97 97.118 -2.213 -2.904 1.00 0.00 H new ATOM 1505 N GLU A 98 92.352 -2.089 -4.182 1.00 0.00 N ATOM 1506 CA GLU A 98 91.296 -2.472 -3.260 1.00 0.00 C ATOM 1507 C GLU A 98 90.106 -2.983 -4.055 1.00 0.00 C ATOM 1508 O GLU A 98 89.533 -4.013 -3.727 1.00 0.00 O ATOM 1509 CB GLU A 98 90.863 -1.285 -2.398 1.00 0.00 C ATOM 1510 CG GLU A 98 89.896 -1.768 -1.310 1.00 0.00 C ATOM 1511 CD GLU A 98 88.996 -0.624 -0.847 1.00 0.00 C ATOM 1512 OE1 GLU A 98 88.964 0.395 -1.519 1.00 0.00 O ATOM 1513 OE2 GLU A 98 88.352 -0.784 0.176 1.00 0.00 O ATOM 0 H GLU A 98 92.483 -1.083 -4.285 1.00 0.00 H new ATOM 0 HA GLU A 98 91.673 -3.253 -2.600 1.00 0.00 H new ATOM 0 HB2 GLU A 98 91.735 -0.816 -1.942 1.00 0.00 H new ATOM 0 HB3 GLU A 98 90.381 -0.529 -3.018 1.00 0.00 H new ATOM 0 HG2 GLU A 98 89.286 -2.586 -1.694 1.00 0.00 H new ATOM 0 HG3 GLU A 98 90.459 -2.161 -0.463 1.00 0.00 H new ATOM 1520 N PHE A 99 89.749 -2.258 -5.114 1.00 0.00 N ATOM 1521 CA PHE A 99 88.625 -2.671 -5.951 1.00 0.00 C ATOM 1522 C PHE A 99 88.949 -3.981 -6.618 1.00 0.00 C ATOM 1523 O PHE A 99 88.092 -4.838 -6.755 1.00 0.00 O ATOM 1524 CB PHE A 99 88.318 -1.636 -7.025 1.00 0.00 C ATOM 1525 CG PHE A 99 87.570 -2.274 -8.175 1.00 0.00 C ATOM 1526 CD1 PHE A 99 88.262 -3.030 -9.132 1.00 0.00 C ATOM 1527 CD2 PHE A 99 86.189 -2.098 -8.292 1.00 0.00 C ATOM 1528 CE1 PHE A 99 87.568 -3.610 -10.201 1.00 0.00 C ATOM 1529 CE2 PHE A 99 85.495 -2.676 -9.361 1.00 0.00 C ATOM 1530 CZ PHE A 99 86.186 -3.432 -10.316 1.00 0.00 C ATOM 0 H PHE A 99 90.212 -1.398 -5.409 1.00 0.00 H new ATOM 0 HA PHE A 99 87.751 -2.774 -5.308 1.00 0.00 H new ATOM 0 HB2 PHE A 99 87.723 -0.827 -6.600 1.00 0.00 H new ATOM 0 HB3 PHE A 99 89.246 -1.193 -7.388 1.00 0.00 H new ATOM 0 HD1 PHE A 99 89.330 -3.165 -9.045 1.00 0.00 H new ATOM 0 HD2 PHE A 99 85.656 -1.515 -7.556 1.00 0.00 H new ATOM 0 HE1 PHE A 99 88.100 -4.195 -10.937 1.00 0.00 H new ATOM 0 HE2 PHE A 99 84.427 -2.539 -9.449 1.00 0.00 H new ATOM 0 HZ PHE A 99 85.651 -3.878 -11.142 1.00 0.00 H new ATOM 1540 N THR A 100 90.192 -4.142 -7.033 1.00 0.00 N ATOM 1541 CA THR A 100 90.569 -5.391 -7.665 1.00 0.00 C ATOM 1542 C THR A 100 90.759 -6.436 -6.580 1.00 0.00 C ATOM 1543 O THR A 100 90.273 -7.558 -6.691 1.00 0.00 O ATOM 1544 CB THR A 100 91.833 -5.224 -8.513 1.00 0.00 C ATOM 1545 OG1 THR A 100 91.733 -6.047 -9.666 1.00 0.00 O ATOM 1546 CG2 THR A 100 93.080 -5.616 -7.718 1.00 0.00 C ATOM 0 H THR A 100 90.935 -3.449 -6.948 1.00 0.00 H new ATOM 0 HA THR A 100 89.781 -5.713 -8.346 1.00 0.00 H new ATOM 0 HB THR A 100 91.923 -4.177 -8.803 1.00 0.00 H new ATOM 0 HG1 THR A 100 92.539 -5.943 -10.213 1.00 0.00 H new ATOM 0 HG21 THR A 100 93.964 -5.489 -8.342 1.00 0.00 H new ATOM 0 HG22 THR A 100 93.164 -4.981 -6.836 1.00 0.00 H new ATOM 0 HG23 THR A 100 93.001 -6.658 -7.408 1.00 0.00 H new ATOM 1554 N GLN A 101 91.427 -6.047 -5.502 1.00 0.00 N ATOM 1555 CA GLN A 101 91.614 -6.974 -4.393 1.00 0.00 C ATOM 1556 C GLN A 101 90.252 -7.299 -3.796 1.00 0.00 C ATOM 1557 O GLN A 101 90.029 -8.386 -3.273 1.00 0.00 O ATOM 1558 CB GLN A 101 92.524 -6.376 -3.317 1.00 0.00 C ATOM 1559 CG GLN A 101 92.655 -7.363 -2.155 1.00 0.00 C ATOM 1560 CD GLN A 101 94.125 -7.547 -1.793 1.00 0.00 C ATOM 1561 OE1 GLN A 101 94.859 -8.234 -2.503 1.00 0.00 O ATOM 1562 NE2 GLN A 101 94.602 -6.970 -0.723 1.00 0.00 N ATOM 0 H GLN A 101 91.838 -5.123 -5.372 1.00 0.00 H new ATOM 0 HA GLN A 101 92.092 -7.880 -4.765 1.00 0.00 H new ATOM 0 HB2 GLN A 101 93.506 -6.158 -3.736 1.00 0.00 H new ATOM 0 HB3 GLN A 101 92.113 -5.431 -2.961 1.00 0.00 H new ATOM 0 HG2 GLN A 101 92.102 -6.996 -1.291 1.00 0.00 H new ATOM 0 HG3 GLN A 101 92.216 -8.322 -2.430 1.00 0.00 H new ATOM 0 HE21 GLN A 101 93.992 -6.401 -0.136 1.00 0.00 H new ATOM 0 HE22 GLN A 101 95.584 -7.088 -0.475 1.00 0.00 H new ATOM 1571 N ALA A 102 89.339 -6.339 -3.898 1.00 0.00 N ATOM 1572 CA ALA A 102 87.986 -6.521 -3.391 1.00 0.00 C ATOM 1573 C ALA A 102 87.109 -7.181 -4.445 1.00 0.00 C ATOM 1574 O ALA A 102 86.489 -8.211 -4.198 1.00 0.00 O ATOM 1575 CB ALA A 102 87.378 -5.175 -2.989 1.00 0.00 C ATOM 0 H ALA A 102 89.512 -5.430 -4.326 1.00 0.00 H new ATOM 0 HA ALA A 102 88.036 -7.165 -2.513 1.00 0.00 H new ATOM 0 HB1 ALA A 102 86.367 -5.330 -2.613 1.00 0.00 H new ATOM 0 HB2 ALA A 102 87.989 -4.718 -2.211 1.00 0.00 H new ATOM 0 HB3 ALA A 102 87.345 -4.517 -3.857 1.00 0.00 H new ATOM 1581 N GLU A 103 87.061 -6.566 -5.617 1.00 0.00 N ATOM 1582 CA GLU A 103 86.250 -7.079 -6.717 1.00 0.00 C ATOM 1583 C GLU A 103 86.889 -8.300 -7.364 1.00 0.00 C ATOM 1584 O GLU A 103 86.241 -9.333 -7.529 1.00 0.00 O ATOM 1585 CB GLU A 103 86.076 -6.006 -7.796 1.00 0.00 C ATOM 1586 CG GLU A 103 84.890 -6.377 -8.693 1.00 0.00 C ATOM 1587 CD GLU A 103 85.255 -6.200 -10.164 1.00 0.00 C ATOM 1588 OE1 GLU A 103 86.384 -6.497 -10.518 1.00 0.00 O ATOM 1589 OE2 GLU A 103 84.395 -5.775 -10.918 1.00 0.00 O ATOM 0 H GLU A 103 87.573 -5.711 -5.833 1.00 0.00 H new ATOM 0 HA GLU A 103 85.284 -7.359 -6.296 1.00 0.00 H new ATOM 0 HB2 GLU A 103 85.907 -5.033 -7.334 1.00 0.00 H new ATOM 0 HB3 GLU A 103 86.985 -5.922 -8.392 1.00 0.00 H new ATOM 0 HG2 GLU A 103 84.595 -7.410 -8.507 1.00 0.00 H new ATOM 0 HG3 GLU A 103 84.032 -5.752 -8.448 1.00 0.00 H new ATOM 1596 N ARG A 104 88.151 -8.168 -7.756 1.00 0.00 N ATOM 1597 CA ARG A 104 88.838 -9.278 -8.420 1.00 0.00 C ATOM 1598 C ARG A 104 88.922 -10.508 -7.518 1.00 0.00 C ATOM 1599 O ARG A 104 88.880 -11.638 -8.003 1.00 0.00 O ATOM 1600 CB ARG A 104 90.245 -8.867 -8.860 1.00 0.00 C ATOM 1601 CG ARG A 104 90.567 -9.516 -10.206 1.00 0.00 C ATOM 1602 CD ARG A 104 92.058 -9.357 -10.504 1.00 0.00 C ATOM 1603 NE ARG A 104 92.291 -9.372 -11.943 1.00 0.00 N ATOM 1604 CZ ARG A 104 93.467 -9.017 -12.452 1.00 0.00 C ATOM 1605 NH1 ARG A 104 94.438 -8.654 -11.659 1.00 0.00 N ATOM 1606 NH2 ARG A 104 93.651 -9.034 -13.743 1.00 0.00 N ATOM 0 H ARG A 104 88.712 -7.325 -7.631 1.00 0.00 H new ATOM 0 HA ARG A 104 88.250 -9.536 -9.301 1.00 0.00 H new ATOM 0 HB2 ARG A 104 90.310 -7.782 -8.942 1.00 0.00 H new ATOM 0 HB3 ARG A 104 90.976 -9.174 -8.112 1.00 0.00 H new ATOM 0 HG2 ARG A 104 90.300 -10.573 -10.186 1.00 0.00 H new ATOM 0 HG3 ARG A 104 89.976 -9.053 -10.996 1.00 0.00 H new ATOM 0 HD2 ARG A 104 92.423 -8.422 -10.079 1.00 0.00 H new ATOM 0 HD3 ARG A 104 92.619 -10.163 -10.030 1.00 0.00 H new ATOM 0 HE ARG A 104 91.539 -9.660 -12.570 1.00 0.00 H new ATOM 0 HH11 ARG A 104 94.295 -8.643 -10.649 1.00 0.00 H new ATOM 0 HH12 ARG A 104 95.340 -8.382 -12.049 1.00 0.00 H new ATOM 0 HH21 ARG A 104 92.893 -9.320 -14.363 1.00 0.00 H new ATOM 0 HH22 ARG A 104 94.553 -8.762 -14.133 1.00 0.00 H new ATOM 1620 N SER A 105 89.043 -10.294 -6.213 1.00 0.00 N ATOM 1621 CA SER A 105 89.133 -11.418 -5.286 1.00 0.00 C ATOM 1622 C SER A 105 87.746 -11.924 -4.896 1.00 0.00 C ATOM 1623 O SER A 105 87.474 -13.122 -4.974 1.00 0.00 O ATOM 1624 CB SER A 105 89.901 -11.016 -4.028 1.00 0.00 C ATOM 1625 OG SER A 105 90.969 -10.149 -4.388 1.00 0.00 O ATOM 0 H SER A 105 89.081 -9.372 -5.778 1.00 0.00 H new ATOM 0 HA SER A 105 89.668 -12.221 -5.794 1.00 0.00 H new ATOM 0 HB2 SER A 105 89.234 -10.518 -3.324 1.00 0.00 H new ATOM 0 HB3 SER A 105 90.290 -11.902 -3.526 1.00 0.00 H new ATOM 0 HG SER A 105 91.100 -9.481 -3.683 1.00 0.00 H new ATOM 1631 N ILE A 106 86.871 -11.014 -4.474 1.00 0.00 N ATOM 1632 CA ILE A 106 85.522 -11.415 -4.076 1.00 0.00 C ATOM 1633 C ILE A 106 84.747 -11.964 -5.270 1.00 0.00 C ATOM 1634 O ILE A 106 84.065 -12.984 -5.161 1.00 0.00 O ATOM 1635 CB ILE A 106 84.760 -10.231 -3.476 1.00 0.00 C ATOM 1636 CG1 ILE A 106 85.558 -9.647 -2.306 1.00 0.00 C ATOM 1637 CG2 ILE A 106 83.398 -10.709 -2.968 1.00 0.00 C ATOM 1638 CD1 ILE A 106 85.170 -10.368 -1.013 1.00 0.00 C ATOM 0 H ILE A 106 87.064 -10.015 -4.399 1.00 0.00 H new ATOM 0 HA ILE A 106 85.617 -12.197 -3.323 1.00 0.00 H new ATOM 0 HB ILE A 106 84.620 -9.466 -4.240 1.00 0.00 H new ATOM 0 HG12 ILE A 106 86.627 -9.757 -2.490 1.00 0.00 H new ATOM 0 HG13 ILE A 106 85.359 -8.579 -2.213 1.00 0.00 H new ATOM 0 HG21 ILE A 106 82.853 -9.867 -2.540 1.00 0.00 H new ATOM 0 HG22 ILE A 106 82.827 -11.127 -3.797 1.00 0.00 H new ATOM 0 HG23 ILE A 106 83.542 -11.474 -2.205 1.00 0.00 H new ATOM 0 HD11 ILE A 106 85.738 -9.953 -0.180 1.00 0.00 H new ATOM 0 HD12 ILE A 106 84.104 -10.235 -0.828 1.00 0.00 H new ATOM 0 HD13 ILE A 106 85.391 -11.431 -1.109 1.00 0.00 H new ATOM 1650 N GLU A 107 84.853 -11.285 -6.407 1.00 0.00 N ATOM 1651 CA GLU A 107 84.154 -11.720 -7.611 1.00 0.00 C ATOM 1652 C GLU A 107 84.713 -13.047 -8.107 1.00 0.00 C ATOM 1653 O GLU A 107 84.041 -14.077 -8.053 1.00 0.00 O ATOM 1654 CB GLU A 107 84.291 -10.665 -8.711 1.00 0.00 C ATOM 1655 CG GLU A 107 83.284 -10.954 -9.825 1.00 0.00 C ATOM 1656 CD GLU A 107 81.909 -10.421 -9.438 1.00 0.00 C ATOM 1657 OE1 GLU A 107 81.797 -9.224 -9.229 1.00 0.00 O ATOM 1658 OE2 GLU A 107 80.989 -11.217 -9.354 1.00 0.00 O ATOM 0 H GLU A 107 85.411 -10.439 -6.520 1.00 0.00 H new ATOM 0 HA GLU A 107 83.100 -11.851 -7.364 1.00 0.00 H new ATOM 0 HB2 GLU A 107 84.118 -9.671 -8.299 1.00 0.00 H new ATOM 0 HB3 GLU A 107 85.305 -10.672 -9.112 1.00 0.00 H new ATOM 0 HG2 GLU A 107 83.614 -10.490 -10.754 1.00 0.00 H new ATOM 0 HG3 GLU A 107 83.229 -12.027 -10.007 1.00 0.00 H new ATOM 1665 N ARG A 108 85.945 -13.009 -8.591 1.00 0.00 N ATOM 1666 CA ARG A 108 86.596 -14.211 -9.100 1.00 0.00 C ATOM 1667 C ARG A 108 87.227 -15.008 -7.962 1.00 0.00 C ATOM 1668 O ARG A 108 86.647 -15.979 -7.476 1.00 0.00 O ATOM 1669 CB ARG A 108 87.671 -13.829 -10.119 1.00 0.00 C ATOM 1670 CG ARG A 108 87.029 -13.043 -11.265 1.00 0.00 C ATOM 1671 CD ARG A 108 88.065 -12.807 -12.366 1.00 0.00 C ATOM 1672 NE ARG A 108 88.695 -14.067 -12.743 1.00 0.00 N ATOM 1673 CZ ARG A 108 88.099 -14.910 -13.579 1.00 0.00 C ATOM 1674 NH1 ARG A 108 86.930 -14.615 -14.080 1.00 0.00 N ATOM 1675 NH2 ARG A 108 88.682 -16.032 -13.900 1.00 0.00 N ATOM 0 H ARG A 108 86.514 -12.164 -8.643 1.00 0.00 H new ATOM 0 HA ARG A 108 85.841 -14.832 -9.583 1.00 0.00 H new ATOM 0 HB2 ARG A 108 88.445 -13.229 -9.640 1.00 0.00 H new ATOM 0 HB3 ARG A 108 88.156 -14.725 -10.505 1.00 0.00 H new ATOM 0 HG2 ARG A 108 86.177 -13.593 -11.665 1.00 0.00 H new ATOM 0 HG3 ARG A 108 86.649 -12.089 -10.898 1.00 0.00 H new ATOM 0 HD2 ARG A 108 87.586 -12.357 -13.236 1.00 0.00 H new ATOM 0 HD3 ARG A 108 88.822 -12.103 -12.019 1.00 0.00 H new ATOM 0 HE ARG A 108 89.609 -14.305 -12.358 1.00 0.00 H new ATOM 0 HH11 ARG A 108 86.475 -13.737 -13.830 1.00 0.00 H new ATOM 0 HH12 ARG A 108 86.472 -15.262 -14.722 1.00 0.00 H new ATOM 0 HH21 ARG A 108 89.596 -16.262 -13.509 1.00 0.00 H new ATOM 0 HH22 ARG A 108 88.224 -16.679 -14.542 1.00 0.00 H new ATOM 1689 N GLY A 109 88.417 -14.593 -7.542 1.00 0.00 N ATOM 1690 CA GLY A 109 89.116 -15.280 -6.461 1.00 0.00 C ATOM 1691 C GLY A 109 90.574 -15.535 -6.825 1.00 0.00 C ATOM 1692 O GLY A 109 91.302 -16.195 -6.084 1.00 0.00 O ATOM 0 H GLY A 109 88.915 -13.791 -7.929 1.00 0.00 H new ATOM 0 HA2 GLY A 109 89.064 -14.681 -5.552 1.00 0.00 H new ATOM 0 HA3 GLY A 109 88.620 -16.227 -6.247 1.00 0.00 H new ATOM 1696 N VAL A 110 90.995 -15.009 -7.971 1.00 0.00 N ATOM 1697 CA VAL A 110 92.368 -15.188 -8.422 1.00 0.00 C ATOM 1698 C VAL A 110 92.745 -16.666 -8.415 1.00 0.00 C ATOM 1699 O VAL A 110 92.141 -17.414 -9.167 1.00 0.00 O ATOM 1700 CB VAL A 110 93.322 -14.411 -7.513 1.00 0.00 C ATOM 1701 CG1 VAL A 110 94.706 -14.345 -8.161 1.00 0.00 C ATOM 1702 CG2 VAL A 110 92.789 -12.991 -7.312 1.00 0.00 C ATOM 1703 OXT VAL A 110 93.633 -17.028 -7.660 1.00 0.00 O ATOM 0 H VAL A 110 90.409 -14.459 -8.599 1.00 0.00 H new ATOM 0 HA VAL A 110 92.449 -14.809 -9.441 1.00 0.00 H new ATOM 0 HB VAL A 110 93.395 -14.915 -6.549 1.00 0.00 H new ATOM 0 HG11 VAL A 110 95.385 -13.791 -7.513 1.00 0.00 H new ATOM 0 HG12 VAL A 110 95.088 -15.355 -8.308 1.00 0.00 H new ATOM 0 HG13 VAL A 110 94.633 -13.841 -9.125 1.00 0.00 H new ATOM 0 HG21 VAL A 110 93.468 -12.436 -6.664 1.00 0.00 H new ATOM 0 HG22 VAL A 110 92.717 -12.489 -8.277 1.00 0.00 H new ATOM 0 HG23 VAL A 110 91.802 -13.035 -6.851 1.00 0.00 H new TER 1713 VAL A 110