USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 597 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 35 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 30 GLN : amide:sc= -0.122 X(o=-0.12,f=-0.074) USER MOD Set 2.2: A 33 LYS NZ :NH3+ 162:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.197 X(o=-0.2,f=-0.4) USER MOD Single : A 18 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0.065) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -160:sc= -0.114 (180deg=-0.531) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -139:sc= 0.502 (180deg=-0.658) USER MOD Single : A 36 HIS : no HD1:sc= -4.07! C(o=-4.1!,f=-5.1!) USER MOD Single : A 39 THR OG1 : rot -151:sc= -0.752 USER MOD Single : A 40 ASN : amide:sc= -2.19! C(o=-2.2!,f=-9.7!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.922 K(o=-0.92,f=-3.9!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -108:sc= 0.312 USER MOD Single : A 65 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0879) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.0841 K(o=-0.084,f=-2.3!) USER MOD Single : A 69 TYR OH : rot -131:sc= 0.574 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.619 3.665 18.326 1.00 0.00 N ATOM 2 CA GLY A 1 2.580 3.851 16.887 1.00 0.00 C ATOM 3 C GLY A 1 1.559 2.956 16.214 1.00 0.00 C ATOM 4 O GLY A 1 0.354 3.128 16.400 1.00 0.00 O ATOM 0 H1 GLY A 1 3.332 4.299 18.739 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.686 3.884 18.730 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.867 2.678 18.542 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.348 4.893 16.665 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.567 3.648 16.471 1.00 0.00 H new ATOM 8 N SER A 2 2.040 1.997 15.429 1.00 0.00 N ATOM 9 CA SER A 2 1.161 1.074 14.722 1.00 0.00 C ATOM 10 C SER A 2 0.077 1.832 13.960 1.00 0.00 C ATOM 11 O SER A 2 -1.088 1.436 13.958 1.00 0.00 O ATOM 12 CB SER A 2 0.518 0.094 15.705 1.00 0.00 C ATOM 13 OG SER A 2 1.454 -0.875 16.144 1.00 0.00 O ATOM 0 H SER A 2 3.035 1.839 15.267 1.00 0.00 H new ATOM 0 HA SER A 2 1.763 0.516 14.005 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.125 0.640 16.563 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.327 -0.402 15.228 1.00 0.00 H new ATOM 0 HG SER A 2 1.019 -1.488 16.773 1.00 0.00 H new ATOM 19 N SER A 3 0.472 2.925 13.314 1.00 0.00 N ATOM 20 CA SER A 3 -0.465 3.742 12.552 1.00 0.00 C ATOM 21 C SER A 3 -0.290 3.515 11.054 1.00 0.00 C ATOM 22 O SER A 3 0.514 4.182 10.403 1.00 0.00 O ATOM 23 CB SER A 3 -0.269 5.223 12.881 1.00 0.00 C ATOM 24 OG SER A 3 -0.706 5.516 14.197 1.00 0.00 O ATOM 0 H SER A 3 1.434 3.265 13.303 1.00 0.00 H new ATOM 0 HA SER A 3 -1.476 3.446 12.831 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.784 5.485 12.777 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.821 5.834 12.167 1.00 0.00 H new ATOM 0 HG SER A 3 -0.568 6.468 14.383 1.00 0.00 H new ATOM 30 N GLY A 4 -1.049 2.567 10.512 1.00 0.00 N ATOM 31 CA GLY A 4 -0.962 2.267 9.095 1.00 0.00 C ATOM 32 C GLY A 4 -1.324 3.457 8.227 1.00 0.00 C ATOM 33 O GLY A 4 -2.017 4.371 8.674 1.00 0.00 O ATOM 0 H GLY A 4 -1.722 2.002 11.029 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.051 1.942 8.857 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.627 1.435 8.861 1.00 0.00 H new ATOM 37 N SER A 5 -0.852 3.446 6.985 1.00 0.00 N ATOM 38 CA SER A 5 -1.124 4.535 6.055 1.00 0.00 C ATOM 39 C SER A 5 -1.367 4.000 4.647 1.00 0.00 C ATOM 40 O SER A 5 -0.556 3.245 4.110 1.00 0.00 O ATOM 41 CB SER A 5 0.041 5.527 6.042 1.00 0.00 C ATOM 42 OG SER A 5 -0.264 6.661 5.248 1.00 0.00 O ATOM 0 H SER A 5 -0.279 2.695 6.599 1.00 0.00 H new ATOM 0 HA SER A 5 -2.025 5.049 6.390 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.266 5.842 7.061 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.935 5.038 5.655 1.00 0.00 H new ATOM 0 HG SER A 5 0.495 7.281 5.257 1.00 0.00 H new ATOM 48 N SER A 6 -2.489 4.396 4.055 1.00 0.00 N ATOM 49 CA SER A 6 -2.841 3.953 2.711 1.00 0.00 C ATOM 50 C SER A 6 -2.087 4.760 1.658 1.00 0.00 C ATOM 51 O SER A 6 -1.653 5.882 1.913 1.00 0.00 O ATOM 52 CB SER A 6 -4.349 4.084 2.487 1.00 0.00 C ATOM 53 OG SER A 6 -5.046 2.993 3.063 1.00 0.00 O ATOM 0 H SER A 6 -3.170 5.023 4.485 1.00 0.00 H new ATOM 0 HA SER A 6 -2.556 2.905 2.614 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.705 5.018 2.922 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.559 4.130 1.418 1.00 0.00 H new ATOM 0 HG SER A 6 -6.008 3.101 2.908 1.00 0.00 H new ATOM 59 N GLY A 7 -1.936 4.178 0.472 1.00 0.00 N ATOM 60 CA GLY A 7 -1.234 4.856 -0.603 1.00 0.00 C ATOM 61 C GLY A 7 0.234 4.485 -0.661 1.00 0.00 C ATOM 62 O GLY A 7 0.774 4.226 -1.737 1.00 0.00 O ATOM 0 H GLY A 7 -2.287 3.250 0.236 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.706 4.609 -1.554 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.328 5.934 -0.471 1.00 0.00 H new ATOM 66 N ASP A 8 0.883 4.462 0.498 1.00 0.00 N ATOM 67 CA ASP A 8 2.299 4.121 0.575 1.00 0.00 C ATOM 68 C ASP A 8 2.495 2.608 0.564 1.00 0.00 C ATOM 69 O ASP A 8 1.939 1.894 1.399 1.00 0.00 O ATOM 70 CB ASP A 8 2.922 4.719 1.836 1.00 0.00 C ATOM 71 CG ASP A 8 4.117 3.924 2.325 1.00 0.00 C ATOM 72 OD1 ASP A 8 5.055 3.713 1.529 1.00 0.00 O ATOM 73 OD2 ASP A 8 4.114 3.515 3.505 1.00 0.00 O ATOM 0 H ASP A 8 0.451 4.675 1.397 1.00 0.00 H new ATOM 0 HA ASP A 8 2.796 4.540 -0.300 1.00 0.00 H new ATOM 0 HB2 ASP A 8 3.230 5.745 1.634 1.00 0.00 H new ATOM 0 HB3 ASP A 8 2.170 4.761 2.624 1.00 0.00 H new ATOM 78 N TYR A 9 3.288 2.126 -0.387 1.00 0.00 N ATOM 79 CA TYR A 9 3.554 0.697 -0.508 1.00 0.00 C ATOM 80 C TYR A 9 4.424 0.206 0.644 1.00 0.00 C ATOM 81 O TYR A 9 4.213 -0.885 1.175 1.00 0.00 O ATOM 82 CB TYR A 9 4.238 0.397 -1.843 1.00 0.00 C ATOM 83 CG TYR A 9 3.440 0.844 -3.047 1.00 0.00 C ATOM 84 CD1 TYR A 9 2.086 0.554 -3.154 1.00 0.00 C ATOM 85 CD2 TYR A 9 4.041 1.558 -4.076 1.00 0.00 C ATOM 86 CE1 TYR A 9 1.353 0.960 -4.252 1.00 0.00 C ATOM 87 CE2 TYR A 9 3.316 1.969 -5.178 1.00 0.00 C ATOM 88 CZ TYR A 9 1.972 1.667 -5.261 1.00 0.00 C ATOM 89 OH TYR A 9 1.246 2.075 -6.357 1.00 0.00 O ATOM 0 H TYR A 9 3.757 2.703 -1.085 1.00 0.00 H new ATOM 0 HA TYR A 9 2.601 0.170 -0.469 1.00 0.00 H new ATOM 0 HB2 TYR A 9 5.212 0.887 -1.861 1.00 0.00 H new ATOM 0 HB3 TYR A 9 4.419 -0.675 -1.916 1.00 0.00 H new ATOM 0 HD1 TYR A 9 1.598 0.001 -2.365 1.00 0.00 H new ATOM 0 HD2 TYR A 9 5.093 1.796 -4.014 1.00 0.00 H new ATOM 0 HE1 TYR A 9 0.301 0.725 -4.320 1.00 0.00 H new ATOM 0 HE2 TYR A 9 3.798 2.523 -5.970 1.00 0.00 H new ATOM 0 HH TYR A 9 1.831 2.562 -6.974 1.00 0.00 H new ATOM 99 N TYR A 10 5.403 1.018 1.027 1.00 0.00 N ATOM 100 CA TYR A 10 6.307 0.667 2.115 1.00 0.00 C ATOM 101 C TYR A 10 5.528 0.236 3.354 1.00 0.00 C ATOM 102 O TYR A 10 5.946 -0.664 4.081 1.00 0.00 O ATOM 103 CB TYR A 10 7.213 1.851 2.456 1.00 0.00 C ATOM 104 CG TYR A 10 8.060 2.319 1.294 1.00 0.00 C ATOM 105 CD1 TYR A 10 8.774 1.413 0.519 1.00 0.00 C ATOM 106 CD2 TYR A 10 8.145 3.668 0.970 1.00 0.00 C ATOM 107 CE1 TYR A 10 9.550 1.837 -0.542 1.00 0.00 C ATOM 108 CE2 TYR A 10 8.917 4.100 -0.091 1.00 0.00 C ATOM 109 CZ TYR A 10 9.618 3.181 -0.844 1.00 0.00 C ATOM 110 OH TYR A 10 10.388 3.607 -1.901 1.00 0.00 O ATOM 0 H TYR A 10 5.591 1.925 0.599 1.00 0.00 H new ATOM 0 HA TYR A 10 6.922 -0.170 1.785 1.00 0.00 H new ATOM 0 HB2 TYR A 10 6.597 2.681 2.803 1.00 0.00 H new ATOM 0 HB3 TYR A 10 7.867 1.571 3.282 1.00 0.00 H new ATOM 0 HD1 TYR A 10 8.721 0.359 0.750 1.00 0.00 H new ATOM 0 HD2 TYR A 10 7.598 4.391 1.558 1.00 0.00 H new ATOM 0 HE1 TYR A 10 10.101 1.120 -1.132 1.00 0.00 H new ATOM 0 HE2 TYR A 10 8.971 5.152 -0.330 1.00 0.00 H new ATOM 0 HH TYR A 10 10.326 4.582 -1.979 1.00 0.00 H new ATOM 120 N GLN A 11 4.391 0.885 3.585 1.00 0.00 N ATOM 121 CA GLN A 11 3.552 0.570 4.735 1.00 0.00 C ATOM 122 C GLN A 11 2.731 -0.690 4.481 1.00 0.00 C ATOM 123 O GLN A 11 2.664 -1.581 5.328 1.00 0.00 O ATOM 124 CB GLN A 11 2.624 1.743 5.053 1.00 0.00 C ATOM 125 CG GLN A 11 3.227 2.753 6.015 1.00 0.00 C ATOM 126 CD GLN A 11 2.943 2.419 7.466 1.00 0.00 C ATOM 127 OE1 GLN A 11 3.471 1.447 8.006 1.00 0.00 O ATOM 128 NE2 GLN A 11 2.105 3.226 8.106 1.00 0.00 N ATOM 0 H GLN A 11 4.030 1.632 2.991 1.00 0.00 H new ATOM 0 HA GLN A 11 4.204 0.390 5.590 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.362 2.250 4.124 1.00 0.00 H new ATOM 0 HB3 GLN A 11 1.697 1.357 5.478 1.00 0.00 H new ATOM 0 HG2 GLN A 11 4.305 2.797 5.861 1.00 0.00 H new ATOM 0 HG3 GLN A 11 2.832 3.744 5.790 1.00 0.00 H new ATOM 0 HE21 GLN A 11 1.690 4.021 7.619 1.00 0.00 H new ATOM 0 HE22 GLN A 11 1.876 3.051 9.085 1.00 0.00 H new ATOM 137 N ILE A 12 2.107 -0.757 3.309 1.00 0.00 N ATOM 138 CA ILE A 12 1.290 -1.907 2.944 1.00 0.00 C ATOM 139 C ILE A 12 2.083 -3.205 3.066 1.00 0.00 C ATOM 140 O ILE A 12 1.540 -4.244 3.443 1.00 0.00 O ATOM 141 CB ILE A 12 0.751 -1.782 1.506 1.00 0.00 C ATOM 142 CG1 ILE A 12 -0.084 -0.508 1.361 1.00 0.00 C ATOM 143 CG2 ILE A 12 -0.073 -3.007 1.141 1.00 0.00 C ATOM 144 CD1 ILE A 12 -0.318 -0.099 -0.076 1.00 0.00 C ATOM 0 H ILE A 12 2.152 -0.028 2.597 1.00 0.00 H new ATOM 0 HA ILE A 12 0.449 -1.930 3.638 1.00 0.00 H new ATOM 0 HB ILE A 12 1.596 -1.720 0.820 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.047 -0.657 1.849 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.416 0.306 1.885 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.447 -2.904 0.122 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.550 -3.899 1.210 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.914 -3.098 1.829 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.917 0.811 -0.102 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.640 0.082 -0.563 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.846 -0.896 -0.600 1.00 0.00 H new ATOM 156 N LEU A 13 3.370 -3.137 2.746 1.00 0.00 N ATOM 157 CA LEU A 13 4.240 -4.306 2.821 1.00 0.00 C ATOM 158 C LEU A 13 4.926 -4.388 4.181 1.00 0.00 C ATOM 159 O LEU A 13 5.183 -5.476 4.694 1.00 0.00 O ATOM 160 CB LEU A 13 5.290 -4.258 1.710 1.00 0.00 C ATOM 161 CG LEU A 13 4.822 -4.703 0.324 1.00 0.00 C ATOM 162 CD1 LEU A 13 5.829 -4.291 -0.738 1.00 0.00 C ATOM 163 CD2 LEU A 13 4.599 -6.208 0.295 1.00 0.00 C ATOM 0 H LEU A 13 3.835 -2.285 2.432 1.00 0.00 H new ATOM 0 HA LEU A 13 3.623 -5.195 2.691 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.664 -3.237 1.635 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.132 -4.884 2.006 1.00 0.00 H new ATOM 0 HG LEU A 13 3.874 -4.211 0.106 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.479 -4.616 -1.717 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.939 -3.207 -0.734 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.792 -4.754 -0.525 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.266 -6.507 -0.699 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.532 -6.719 0.535 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.839 -6.477 1.029 1.00 0.00 H new ATOM 175 N GLY A 14 5.217 -3.228 4.762 1.00 0.00 N ATOM 176 CA GLY A 14 5.868 -3.190 6.059 1.00 0.00 C ATOM 177 C GLY A 14 7.379 -3.145 5.948 1.00 0.00 C ATOM 178 O GLY A 14 8.088 -3.704 6.784 1.00 0.00 O ATOM 0 H GLY A 14 5.014 -2.314 4.358 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.521 -2.316 6.611 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.575 -4.068 6.635 1.00 0.00 H new ATOM 182 N VAL A 15 7.875 -2.478 4.910 1.00 0.00 N ATOM 183 CA VAL A 15 9.312 -2.362 4.692 1.00 0.00 C ATOM 184 C VAL A 15 9.761 -0.906 4.753 1.00 0.00 C ATOM 185 O VAL A 15 9.029 0.012 4.381 1.00 0.00 O ATOM 186 CB VAL A 15 9.722 -2.957 3.332 1.00 0.00 C ATOM 187 CG1 VAL A 15 9.620 -4.475 3.361 1.00 0.00 C ATOM 188 CG2 VAL A 15 8.866 -2.378 2.216 1.00 0.00 C ATOM 0 H VAL A 15 7.303 -2.010 4.207 1.00 0.00 H new ATOM 0 HA VAL A 15 9.800 -2.924 5.489 1.00 0.00 H new ATOM 0 HB VAL A 15 10.761 -2.690 3.137 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.913 -4.878 2.392 1.00 0.00 H new ATOM 0 HG12 VAL A 15 10.281 -4.869 4.133 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.593 -4.767 3.579 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.170 -2.810 1.263 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.818 -2.612 2.403 1.00 0.00 H new ATOM 0 HG23 VAL A 15 8.996 -1.296 2.182 1.00 0.00 H new ATOM 198 N PRO A 16 10.994 -0.687 5.233 1.00 0.00 N ATOM 199 CA PRO A 16 11.570 0.655 5.354 1.00 0.00 C ATOM 200 C PRO A 16 11.882 1.276 3.996 1.00 0.00 C ATOM 201 O PRO A 16 12.240 0.575 3.050 1.00 0.00 O ATOM 202 CB PRO A 16 12.860 0.418 6.143 1.00 0.00 C ATOM 203 CG PRO A 16 13.222 -0.999 5.860 1.00 0.00 C ATOM 204 CD PRO A 16 11.921 -1.734 5.695 1.00 0.00 C ATOM 0 HA PRO A 16 10.883 1.352 5.834 1.00 0.00 H new ATOM 0 HB2 PRO A 16 13.649 1.099 5.825 1.00 0.00 H new ATOM 0 HB3 PRO A 16 12.708 0.582 7.210 1.00 0.00 H new ATOM 0 HG2 PRO A 16 13.830 -1.074 4.958 1.00 0.00 H new ATOM 0 HG3 PRO A 16 13.809 -1.422 6.675 1.00 0.00 H new ATOM 0 HD2 PRO A 16 12.006 -2.544 4.970 1.00 0.00 H new ATOM 0 HD3 PRO A 16 11.589 -2.179 6.633 1.00 0.00 H new ATOM 212 N ARG A 17 11.745 2.595 3.909 1.00 0.00 N ATOM 213 CA ARG A 17 12.012 3.310 2.666 1.00 0.00 C ATOM 214 C ARG A 17 13.346 2.875 2.065 1.00 0.00 C ATOM 215 O ARG A 17 13.509 2.852 0.846 1.00 0.00 O ATOM 216 CB ARG A 17 12.020 4.820 2.913 1.00 0.00 C ATOM 217 CG ARG A 17 10.650 5.464 2.790 1.00 0.00 C ATOM 218 CD ARG A 17 9.719 5.014 3.905 1.00 0.00 C ATOM 219 NE ARG A 17 10.206 5.421 5.221 1.00 0.00 N ATOM 220 CZ ARG A 17 9.872 4.807 6.350 1.00 0.00 C ATOM 221 NH1 ARG A 17 9.055 3.763 6.324 1.00 0.00 N ATOM 222 NH2 ARG A 17 10.356 5.236 7.509 1.00 0.00 N ATOM 0 H ARG A 17 11.451 3.190 4.683 1.00 0.00 H new ATOM 0 HA ARG A 17 11.218 3.069 1.959 1.00 0.00 H new ATOM 0 HB2 ARG A 17 12.415 5.014 3.910 1.00 0.00 H new ATOM 0 HB3 ARG A 17 12.699 5.292 2.203 1.00 0.00 H new ATOM 0 HG2 ARG A 17 10.753 6.549 2.817 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.213 5.209 1.825 1.00 0.00 H new ATOM 0 HD2 ARG A 17 8.726 5.433 3.740 1.00 0.00 H new ATOM 0 HD3 ARG A 17 9.616 3.929 3.876 1.00 0.00 H new ATOM 0 HE ARG A 17 10.837 6.221 5.275 1.00 0.00 H new ATOM 0 HH11 ARG A 17 8.681 3.430 5.435 1.00 0.00 H new ATOM 0 HH12 ARG A 17 8.800 3.293 7.193 1.00 0.00 H new ATOM 0 HH21 ARG A 17 10.985 6.038 7.533 1.00 0.00 H new ATOM 0 HH22 ARG A 17 10.099 4.763 8.375 1.00 0.00 H new ATOM 236 N ASN A 18 14.295 2.532 2.929 1.00 0.00 N ATOM 237 CA ASN A 18 15.614 2.099 2.483 1.00 0.00 C ATOM 238 C ASN A 18 15.784 0.594 2.666 1.00 0.00 C ATOM 239 O ASN A 18 16.833 0.126 3.108 1.00 0.00 O ATOM 240 CB ASN A 18 16.706 2.844 3.254 1.00 0.00 C ATOM 241 CG ASN A 18 18.002 2.943 2.471 1.00 0.00 C ATOM 242 OD1 ASN A 18 18.186 2.256 1.466 1.00 0.00 O ATOM 243 ND2 ASN A 18 18.906 3.800 2.930 1.00 0.00 N ATOM 0 H ASN A 18 14.176 2.545 3.942 1.00 0.00 H new ATOM 0 HA ASN A 18 15.705 2.330 1.422 1.00 0.00 H new ATOM 0 HB2 ASN A 18 16.355 3.847 3.498 1.00 0.00 H new ATOM 0 HB3 ASN A 18 16.893 2.333 4.198 1.00 0.00 H new ATOM 0 HD21 ASN A 18 19.797 3.910 2.445 1.00 0.00 H new ATOM 0 HD22 ASN A 18 18.710 4.349 3.767 1.00 0.00 H new ATOM 250 N ALA A 19 14.744 -0.159 2.323 1.00 0.00 N ATOM 251 CA ALA A 19 14.778 -1.611 2.448 1.00 0.00 C ATOM 252 C ALA A 19 15.510 -2.246 1.270 1.00 0.00 C ATOM 253 O ALA A 19 15.545 -1.686 0.174 1.00 0.00 O ATOM 254 CB ALA A 19 13.365 -2.165 2.553 1.00 0.00 C ATOM 0 H ALA A 19 13.868 0.212 1.956 1.00 0.00 H new ATOM 0 HA ALA A 19 15.323 -1.860 3.359 1.00 0.00 H new ATOM 0 HB1 ALA A 19 13.406 -3.250 2.646 1.00 0.00 H new ATOM 0 HB2 ALA A 19 12.873 -1.744 3.430 1.00 0.00 H new ATOM 0 HB3 ALA A 19 12.802 -1.898 1.658 1.00 0.00 H new ATOM 260 N SER A 20 16.096 -3.416 1.504 1.00 0.00 N ATOM 261 CA SER A 20 16.832 -4.124 0.464 1.00 0.00 C ATOM 262 C SER A 20 15.882 -4.915 -0.431 1.00 0.00 C ATOM 263 O SER A 20 14.858 -5.421 0.027 1.00 0.00 O ATOM 264 CB SER A 20 17.863 -5.065 1.090 1.00 0.00 C ATOM 265 OG SER A 20 18.982 -4.345 1.577 1.00 0.00 O ATOM 0 H SER A 20 16.075 -3.893 2.405 1.00 0.00 H new ATOM 0 HA SER A 20 17.349 -3.385 -0.148 1.00 0.00 H new ATOM 0 HB2 SER A 20 17.403 -5.623 1.906 1.00 0.00 H new ATOM 0 HB3 SER A 20 18.191 -5.795 0.350 1.00 0.00 H new ATOM 0 HG SER A 20 19.625 -4.969 1.974 1.00 0.00 H new ATOM 271 N GLN A 21 16.230 -5.015 -1.710 1.00 0.00 N ATOM 272 CA GLN A 21 15.409 -5.743 -2.670 1.00 0.00 C ATOM 273 C GLN A 21 14.886 -7.042 -2.065 1.00 0.00 C ATOM 274 O GLN A 21 13.692 -7.333 -2.128 1.00 0.00 O ATOM 275 CB GLN A 21 16.213 -6.044 -3.936 1.00 0.00 C ATOM 276 CG GLN A 21 16.537 -4.807 -4.759 1.00 0.00 C ATOM 277 CD GLN A 21 15.464 -4.489 -5.782 1.00 0.00 C ATOM 278 OE1 GLN A 21 15.519 -4.953 -6.921 1.00 0.00 O ATOM 279 NE2 GLN A 21 14.479 -3.694 -5.379 1.00 0.00 N ATOM 0 H GLN A 21 17.074 -4.601 -2.105 1.00 0.00 H new ATOM 0 HA GLN A 21 14.556 -5.116 -2.930 1.00 0.00 H new ATOM 0 HB2 GLN A 21 17.143 -6.538 -3.657 1.00 0.00 H new ATOM 0 HB3 GLN A 21 15.653 -6.745 -4.554 1.00 0.00 H new ATOM 0 HG2 GLN A 21 16.662 -3.954 -4.092 1.00 0.00 H new ATOM 0 HG3 GLN A 21 17.489 -4.954 -5.270 1.00 0.00 H new ATOM 0 HE21 GLN A 21 14.473 -3.332 -4.425 1.00 0.00 H new ATOM 0 HE22 GLN A 21 13.728 -3.446 -6.023 1.00 0.00 H new ATOM 288 N LYS A 22 15.789 -7.820 -1.478 1.00 0.00 N ATOM 289 CA LYS A 22 15.420 -9.089 -0.860 1.00 0.00 C ATOM 290 C LYS A 22 14.266 -8.901 0.120 1.00 0.00 C ATOM 291 O LYS A 22 13.272 -9.624 0.067 1.00 0.00 O ATOM 292 CB LYS A 22 16.624 -9.696 -0.136 1.00 0.00 C ATOM 293 CG LYS A 22 17.186 -8.809 0.961 1.00 0.00 C ATOM 294 CD LYS A 22 18.419 -9.424 1.599 1.00 0.00 C ATOM 295 CE LYS A 22 18.046 -10.446 2.662 1.00 0.00 C ATOM 296 NZ LYS A 22 19.127 -10.616 3.673 1.00 0.00 N ATOM 0 H LYS A 22 16.782 -7.594 -1.417 1.00 0.00 H new ATOM 0 HA LYS A 22 15.097 -9.769 -1.649 1.00 0.00 H new ATOM 0 HB2 LYS A 22 16.332 -10.653 0.296 1.00 0.00 H new ATOM 0 HB3 LYS A 22 17.409 -9.901 -0.864 1.00 0.00 H new ATOM 0 HG2 LYS A 22 17.438 -7.833 0.547 1.00 0.00 H new ATOM 0 HG3 LYS A 22 16.424 -8.645 1.723 1.00 0.00 H new ATOM 0 HD2 LYS A 22 19.027 -9.902 0.831 1.00 0.00 H new ATOM 0 HD3 LYS A 22 19.029 -8.639 2.046 1.00 0.00 H new ATOM 0 HE2 LYS A 22 17.129 -10.133 3.161 1.00 0.00 H new ATOM 0 HE3 LYS A 22 17.839 -11.405 2.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 18.834 -11.321 4.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 19.996 -10.939 3.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 19.307 -9.707 4.145 1.00 0.00 H new ATOM 310 N GLU A 23 14.406 -7.925 1.012 1.00 0.00 N ATOM 311 CA GLU A 23 13.374 -7.644 2.003 1.00 0.00 C ATOM 312 C GLU A 23 12.027 -7.396 1.330 1.00 0.00 C ATOM 313 O GLU A 23 10.994 -7.885 1.788 1.00 0.00 O ATOM 314 CB GLU A 23 13.765 -6.429 2.848 1.00 0.00 C ATOM 315 CG GLU A 23 13.164 -6.440 4.244 1.00 0.00 C ATOM 316 CD GLU A 23 13.917 -5.547 5.210 1.00 0.00 C ATOM 317 OE1 GLU A 23 13.867 -4.311 5.037 1.00 0.00 O ATOM 318 OE2 GLU A 23 14.556 -6.083 6.140 1.00 0.00 O ATOM 0 H GLU A 23 15.223 -7.317 1.069 1.00 0.00 H new ATOM 0 HA GLU A 23 13.282 -8.515 2.652 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.851 -6.388 2.929 1.00 0.00 H new ATOM 0 HB3 GLU A 23 13.449 -5.522 2.333 1.00 0.00 H new ATOM 0 HG2 GLU A 23 12.125 -6.116 4.191 1.00 0.00 H new ATOM 0 HG3 GLU A 23 13.161 -7.461 4.626 1.00 0.00 H new ATOM 325 N ILE A 24 12.047 -6.633 0.243 1.00 0.00 N ATOM 326 CA ILE A 24 10.828 -6.321 -0.493 1.00 0.00 C ATOM 327 C ILE A 24 10.137 -7.591 -0.976 1.00 0.00 C ATOM 328 O ILE A 24 8.927 -7.753 -0.815 1.00 0.00 O ATOM 329 CB ILE A 24 11.119 -5.415 -1.705 1.00 0.00 C ATOM 330 CG1 ILE A 24 11.563 -4.028 -1.237 1.00 0.00 C ATOM 331 CG2 ILE A 24 9.889 -5.312 -2.595 1.00 0.00 C ATOM 332 CD1 ILE A 24 12.133 -3.171 -2.346 1.00 0.00 C ATOM 0 H ILE A 24 12.894 -6.219 -0.148 1.00 0.00 H new ATOM 0 HA ILE A 24 10.170 -5.792 0.196 1.00 0.00 H new ATOM 0 HB ILE A 24 11.928 -5.857 -2.286 1.00 0.00 H new ATOM 0 HG12 ILE A 24 10.711 -3.513 -0.792 1.00 0.00 H new ATOM 0 HG13 ILE A 24 12.312 -4.140 -0.453 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.109 -4.669 -3.447 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.613 -6.305 -2.951 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.062 -4.889 -2.025 1.00 0.00 H new ATOM 0 HD11 ILE A 24 12.427 -2.202 -1.943 1.00 0.00 H new ATOM 0 HD12 ILE A 24 13.005 -3.665 -2.776 1.00 0.00 H new ATOM 0 HD13 ILE A 24 11.379 -3.028 -3.120 1.00 0.00 H new ATOM 344 N LYS A 25 10.914 -8.492 -1.568 1.00 0.00 N ATOM 345 CA LYS A 25 10.378 -9.751 -2.072 1.00 0.00 C ATOM 346 C LYS A 25 9.873 -10.625 -0.929 1.00 0.00 C ATOM 347 O LYS A 25 8.712 -11.037 -0.914 1.00 0.00 O ATOM 348 CB LYS A 25 11.449 -10.503 -2.867 1.00 0.00 C ATOM 349 CG LYS A 25 10.934 -11.763 -3.540 1.00 0.00 C ATOM 350 CD LYS A 25 12.066 -12.569 -4.155 1.00 0.00 C ATOM 351 CE LYS A 25 11.541 -13.626 -5.114 1.00 0.00 C ATOM 352 NZ LYS A 25 12.595 -14.610 -5.486 1.00 0.00 N ATOM 0 H LYS A 25 11.917 -8.374 -1.710 1.00 0.00 H new ATOM 0 HA LYS A 25 9.539 -9.522 -2.729 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.860 -9.838 -3.626 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.268 -10.767 -2.198 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.404 -12.376 -2.811 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.215 -11.495 -4.314 1.00 0.00 H new ATOM 0 HD2 LYS A 25 12.744 -11.900 -4.685 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.644 -13.048 -3.365 1.00 0.00 H new ATOM 0 HE2 LYS A 25 10.702 -14.149 -4.654 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.161 -13.143 -6.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.198 -15.314 -6.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.385 -14.115 -5.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.940 -15.090 -4.630 1.00 0.00 H new ATOM 366 N LYS A 26 10.750 -10.902 0.030 1.00 0.00 N ATOM 367 CA LYS A 26 10.392 -11.724 1.180 1.00 0.00 C ATOM 368 C LYS A 26 9.106 -11.222 1.829 1.00 0.00 C ATOM 369 O LYS A 26 8.265 -12.013 2.254 1.00 0.00 O ATOM 370 CB LYS A 26 11.528 -11.724 2.206 1.00 0.00 C ATOM 371 CG LYS A 26 11.360 -12.765 3.299 1.00 0.00 C ATOM 372 CD LYS A 26 12.700 -13.183 3.881 1.00 0.00 C ATOM 373 CE LYS A 26 13.469 -14.078 2.922 1.00 0.00 C ATOM 374 NZ LYS A 26 12.732 -15.337 2.625 1.00 0.00 N ATOM 0 H LYS A 26 11.714 -10.569 0.034 1.00 0.00 H new ATOM 0 HA LYS A 26 10.227 -12.743 0.830 1.00 0.00 H new ATOM 0 HB2 LYS A 26 12.472 -11.900 1.690 1.00 0.00 H new ATOM 0 HB3 LYS A 26 11.594 -10.737 2.663 1.00 0.00 H new ATOM 0 HG2 LYS A 26 10.728 -12.364 4.091 1.00 0.00 H new ATOM 0 HG3 LYS A 26 10.849 -13.639 2.895 1.00 0.00 H new ATOM 0 HD2 LYS A 26 13.292 -12.296 4.107 1.00 0.00 H new ATOM 0 HD3 LYS A 26 12.541 -13.709 4.823 1.00 0.00 H new ATOM 0 HE2 LYS A 26 13.656 -13.539 1.993 1.00 0.00 H new ATOM 0 HE3 LYS A 26 14.441 -14.319 3.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 13.396 -16.051 2.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 12.284 -15.690 3.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 12.001 -15.151 1.909 1.00 0.00 H new ATOM 388 N ALA A 27 8.961 -9.903 1.901 1.00 0.00 N ATOM 389 CA ALA A 27 7.777 -9.296 2.495 1.00 0.00 C ATOM 390 C ALA A 27 6.551 -9.505 1.612 1.00 0.00 C ATOM 391 O ALA A 27 5.497 -9.927 2.087 1.00 0.00 O ATOM 392 CB ALA A 27 8.009 -7.811 2.736 1.00 0.00 C ATOM 0 H ALA A 27 9.649 -9.234 1.555 1.00 0.00 H new ATOM 0 HA ALA A 27 7.591 -9.784 3.452 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.116 -7.371 3.180 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.853 -7.680 3.413 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.224 -7.318 1.788 1.00 0.00 H new ATOM 398 N TYR A 28 6.697 -9.207 0.326 1.00 0.00 N ATOM 399 CA TYR A 28 5.601 -9.360 -0.623 1.00 0.00 C ATOM 400 C TYR A 28 4.902 -10.703 -0.437 1.00 0.00 C ATOM 401 O TYR A 28 3.686 -10.763 -0.251 1.00 0.00 O ATOM 402 CB TYR A 28 6.119 -9.237 -2.057 1.00 0.00 C ATOM 403 CG TYR A 28 5.120 -9.680 -3.102 1.00 0.00 C ATOM 404 CD1 TYR A 28 3.815 -9.204 -3.090 1.00 0.00 C ATOM 405 CD2 TYR A 28 5.482 -10.575 -4.102 1.00 0.00 C ATOM 406 CE1 TYR A 28 2.899 -9.607 -4.043 1.00 0.00 C ATOM 407 CE2 TYR A 28 4.573 -10.983 -5.059 1.00 0.00 C ATOM 408 CZ TYR A 28 3.282 -10.497 -5.025 1.00 0.00 C ATOM 409 OH TYR A 28 2.373 -10.900 -5.976 1.00 0.00 O ATOM 0 H TYR A 28 7.564 -8.858 -0.083 1.00 0.00 H new ATOM 0 HA TYR A 28 4.879 -8.566 -0.435 1.00 0.00 H new ATOM 0 HB2 TYR A 28 6.395 -8.200 -2.247 1.00 0.00 H new ATOM 0 HB3 TYR A 28 7.027 -9.832 -2.159 1.00 0.00 H new ATOM 0 HD1 TYR A 28 3.511 -8.507 -2.323 1.00 0.00 H new ATOM 0 HD2 TYR A 28 6.491 -10.958 -4.131 1.00 0.00 H new ATOM 0 HE1 TYR A 28 1.888 -9.227 -4.019 1.00 0.00 H new ATOM 0 HE2 TYR A 28 4.871 -11.679 -5.830 1.00 0.00 H new ATOM 0 HH TYR A 28 2.803 -11.527 -6.595 1.00 0.00 H new ATOM 419 N TYR A 29 5.679 -11.779 -0.487 1.00 0.00 N ATOM 420 CA TYR A 29 5.136 -13.122 -0.326 1.00 0.00 C ATOM 421 C TYR A 29 4.491 -13.288 1.047 1.00 0.00 C ATOM 422 O TYR A 29 3.340 -13.710 1.156 1.00 0.00 O ATOM 423 CB TYR A 29 6.239 -14.166 -0.512 1.00 0.00 C ATOM 424 CG TYR A 29 6.568 -14.446 -1.961 1.00 0.00 C ATOM 425 CD1 TYR A 29 5.816 -15.350 -2.703 1.00 0.00 C ATOM 426 CD2 TYR A 29 7.631 -13.809 -2.589 1.00 0.00 C ATOM 427 CE1 TYR A 29 6.113 -15.609 -4.027 1.00 0.00 C ATOM 428 CE2 TYR A 29 7.935 -14.061 -3.912 1.00 0.00 C ATOM 429 CZ TYR A 29 7.173 -14.962 -4.627 1.00 0.00 C ATOM 430 OH TYR A 29 7.474 -15.218 -5.946 1.00 0.00 O ATOM 0 H TYR A 29 6.687 -11.747 -0.638 1.00 0.00 H new ATOM 0 HA TYR A 29 4.371 -13.271 -1.088 1.00 0.00 H new ATOM 0 HB2 TYR A 29 7.140 -13.825 -0.003 1.00 0.00 H new ATOM 0 HB3 TYR A 29 5.933 -15.095 -0.031 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.985 -15.858 -2.236 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.230 -13.104 -2.032 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.519 -16.314 -4.589 1.00 0.00 H new ATOM 0 HE2 TYR A 29 8.764 -13.556 -4.384 1.00 0.00 H new ATOM 0 HH TYR A 29 8.247 -14.680 -6.215 1.00 0.00 H new ATOM 440 N GLN A 30 5.242 -12.952 2.091 1.00 0.00 N ATOM 441 CA GLN A 30 4.744 -13.063 3.457 1.00 0.00 C ATOM 442 C GLN A 30 3.351 -12.455 3.579 1.00 0.00 C ATOM 443 O GLN A 30 2.417 -13.105 4.052 1.00 0.00 O ATOM 444 CB GLN A 30 5.702 -12.372 4.429 1.00 0.00 C ATOM 445 CG GLN A 30 6.902 -13.224 4.809 1.00 0.00 C ATOM 446 CD GLN A 30 6.524 -14.417 5.664 1.00 0.00 C ATOM 447 OE1 GLN A 30 6.101 -14.265 6.811 1.00 0.00 O ATOM 448 NE2 GLN A 30 6.674 -15.615 5.110 1.00 0.00 N ATOM 0 H GLN A 30 6.197 -12.601 2.017 1.00 0.00 H new ATOM 0 HA GLN A 30 4.682 -14.121 3.710 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.054 -11.443 3.981 1.00 0.00 H new ATOM 0 HB3 GLN A 30 5.157 -12.103 5.334 1.00 0.00 H new ATOM 0 HG2 GLN A 30 7.396 -13.574 3.902 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.623 -12.609 5.348 1.00 0.00 H new ATOM 0 HE21 GLN A 30 7.028 -15.695 4.157 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.435 -16.455 5.638 1.00 0.00 H new ATOM 457 N LEU A 31 3.216 -11.204 3.151 1.00 0.00 N ATOM 458 CA LEU A 31 1.936 -10.507 3.213 1.00 0.00 C ATOM 459 C LEU A 31 0.900 -11.192 2.328 1.00 0.00 C ATOM 460 O LEU A 31 -0.213 -11.480 2.767 1.00 0.00 O ATOM 461 CB LEU A 31 2.106 -9.049 2.785 1.00 0.00 C ATOM 462 CG LEU A 31 2.464 -8.060 3.895 1.00 0.00 C ATOM 463 CD1 LEU A 31 1.372 -8.025 4.952 1.00 0.00 C ATOM 464 CD2 LEU A 31 3.803 -8.424 4.521 1.00 0.00 C ATOM 0 H LEU A 31 3.978 -10.652 2.757 1.00 0.00 H new ATOM 0 HA LEU A 31 1.583 -10.537 4.244 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.883 -9.004 2.021 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.179 -8.718 2.317 1.00 0.00 H new ATOM 0 HG LEU A 31 2.548 -7.066 3.456 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.645 -7.316 5.733 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.432 -7.717 4.494 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.255 -9.017 5.387 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.042 -7.710 5.309 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.746 -9.427 4.945 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.581 -8.397 3.758 1.00 0.00 H new ATOM 476 N ALA A 32 1.275 -11.452 1.079 1.00 0.00 N ATOM 477 CA ALA A 32 0.380 -12.107 0.134 1.00 0.00 C ATOM 478 C ALA A 32 -0.322 -13.298 0.777 1.00 0.00 C ATOM 479 O ALA A 32 -1.546 -13.421 0.709 1.00 0.00 O ATOM 480 CB ALA A 32 1.150 -12.550 -1.101 1.00 0.00 C ATOM 0 H ALA A 32 2.192 -11.219 0.699 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.382 -11.388 -0.165 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.469 -13.038 -1.799 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.600 -11.681 -1.581 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.934 -13.249 -0.810 1.00 0.00 H new ATOM 486 N LYS A 33 0.459 -14.173 1.401 1.00 0.00 N ATOM 487 CA LYS A 33 -0.088 -15.355 2.058 1.00 0.00 C ATOM 488 C LYS A 33 -1.042 -14.961 3.180 1.00 0.00 C ATOM 489 O LYS A 33 -2.043 -15.635 3.424 1.00 0.00 O ATOM 490 CB LYS A 33 1.043 -16.222 2.616 1.00 0.00 C ATOM 491 CG LYS A 33 1.816 -16.976 1.547 1.00 0.00 C ATOM 492 CD LYS A 33 2.937 -17.805 2.150 1.00 0.00 C ATOM 493 CE LYS A 33 4.057 -16.925 2.683 1.00 0.00 C ATOM 494 NZ LYS A 33 5.297 -17.706 2.950 1.00 0.00 N ATOM 0 H LYS A 33 1.473 -14.086 1.466 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.645 -15.928 1.316 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.734 -15.589 3.173 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.625 -16.938 3.324 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.137 -17.627 0.996 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.231 -16.268 0.829 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.541 -18.421 2.958 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.334 -18.485 1.396 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.273 -16.136 1.963 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.730 -16.438 3.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.108 -17.058 3.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.195 -18.223 3.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.454 -18.383 2.176 1.00 0.00 H new ATOM 508 N LYS A 34 -0.727 -13.864 3.861 1.00 0.00 N ATOM 509 CA LYS A 34 -1.558 -13.378 4.956 1.00 0.00 C ATOM 510 C LYS A 34 -2.897 -12.864 4.437 1.00 0.00 C ATOM 511 O LYS A 34 -3.943 -13.115 5.035 1.00 0.00 O ATOM 512 CB LYS A 34 -0.833 -12.266 5.718 1.00 0.00 C ATOM 513 CG LYS A 34 -1.558 -11.819 6.976 1.00 0.00 C ATOM 514 CD LYS A 34 -2.541 -10.698 6.684 1.00 0.00 C ATOM 515 CE LYS A 34 -3.651 -10.645 7.722 1.00 0.00 C ATOM 516 NZ LYS A 34 -4.473 -11.887 7.719 1.00 0.00 N ATOM 0 H LYS A 34 0.098 -13.295 3.674 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.747 -14.211 5.633 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.165 -12.612 5.987 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.705 -11.408 5.058 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.089 -12.666 7.411 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -0.831 -11.484 7.716 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -2.013 -9.745 6.666 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.974 -10.841 5.694 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.217 -10.499 8.711 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.291 -9.785 7.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.477 -11.639 7.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.336 -12.392 6.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.180 -12.499 8.507 1.00 0.00 H new ATOM 530 N TYR A 35 -2.856 -12.144 3.321 1.00 0.00 N ATOM 531 CA TYR A 35 -4.066 -11.594 2.722 1.00 0.00 C ATOM 532 C TYR A 35 -4.444 -12.358 1.456 1.00 0.00 C ATOM 533 O TYR A 35 -4.732 -11.760 0.419 1.00 0.00 O ATOM 534 CB TYR A 35 -3.872 -10.112 2.398 1.00 0.00 C ATOM 535 CG TYR A 35 -3.634 -9.251 3.618 1.00 0.00 C ATOM 536 CD1 TYR A 35 -4.676 -8.934 4.482 1.00 0.00 C ATOM 537 CD2 TYR A 35 -2.369 -8.754 3.907 1.00 0.00 C ATOM 538 CE1 TYR A 35 -4.464 -8.147 5.598 1.00 0.00 C ATOM 539 CE2 TYR A 35 -2.148 -7.968 5.022 1.00 0.00 C ATOM 540 CZ TYR A 35 -3.199 -7.668 5.863 1.00 0.00 C ATOM 541 OH TYR A 35 -2.983 -6.884 6.974 1.00 0.00 O ATOM 0 H TYR A 35 -1.998 -11.928 2.813 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.877 -11.698 3.443 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -3.027 -10.005 1.718 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -4.753 -9.746 1.871 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -5.668 -9.309 4.278 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.545 -8.986 3.249 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -5.285 -7.909 6.259 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -1.158 -7.591 5.233 1.00 0.00 H new ATOM 0 HH TYR A 35 -2.037 -6.630 7.016 1.00 0.00 H new ATOM 551 N HIS A 36 -4.440 -13.684 1.550 1.00 0.00 N ATOM 552 CA HIS A 36 -4.783 -14.531 0.413 1.00 0.00 C ATOM 553 C HIS A 36 -6.290 -14.539 0.177 1.00 0.00 C ATOM 554 O HIS A 36 -7.090 -14.562 1.113 1.00 0.00 O ATOM 555 CB HIS A 36 -4.283 -15.958 0.645 1.00 0.00 C ATOM 556 CG HIS A 36 -3.928 -16.680 -0.618 1.00 0.00 C ATOM 557 ND1 HIS A 36 -4.627 -17.775 -1.081 1.00 0.00 N ATOM 558 CD2 HIS A 36 -2.941 -16.458 -1.517 1.00 0.00 C ATOM 559 CE1 HIS A 36 -4.084 -18.195 -2.210 1.00 0.00 C ATOM 560 NE2 HIS A 36 -3.060 -17.413 -2.497 1.00 0.00 N ATOM 0 H HIS A 36 -4.203 -14.195 2.401 1.00 0.00 H new ATOM 0 HA HIS A 36 -4.297 -14.123 -0.473 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -3.408 -15.927 1.294 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -5.052 -16.522 1.173 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -2.198 -15.675 -1.472 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -4.421 -19.036 -2.798 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -2.456 -17.503 -3.314 1.00 0.00 H new ATOM 568 N PRO A 37 -6.689 -14.520 -1.103 1.00 0.00 N ATOM 569 CA PRO A 37 -8.103 -14.525 -1.492 1.00 0.00 C ATOM 570 C PRO A 37 -8.780 -15.859 -1.199 1.00 0.00 C ATOM 571 O PRO A 37 -9.904 -15.898 -0.698 1.00 0.00 O ATOM 572 CB PRO A 37 -8.056 -14.269 -3.001 1.00 0.00 C ATOM 573 CG PRO A 37 -6.715 -14.758 -3.427 1.00 0.00 C ATOM 574 CD PRO A 37 -5.791 -14.493 -2.270 1.00 0.00 C ATOM 0 HA PRO A 37 -8.681 -13.786 -0.938 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -8.854 -14.802 -3.518 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -8.181 -13.210 -3.227 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.745 -15.821 -3.667 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -6.377 -14.238 -4.324 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.012 -15.252 -2.196 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.289 -13.530 -2.369 1.00 0.00 H new ATOM 582 N ASP A 38 -8.090 -16.950 -1.513 1.00 0.00 N ATOM 583 CA ASP A 38 -8.625 -18.286 -1.281 1.00 0.00 C ATOM 584 C ASP A 38 -9.121 -18.432 0.154 1.00 0.00 C ATOM 585 O ASP A 38 -10.188 -18.995 0.400 1.00 0.00 O ATOM 586 CB ASP A 38 -7.559 -19.343 -1.576 1.00 0.00 C ATOM 587 CG ASP A 38 -7.097 -19.313 -3.019 1.00 0.00 C ATOM 588 OD1 ASP A 38 -6.586 -18.261 -3.457 1.00 0.00 O ATOM 589 OD2 ASP A 38 -7.246 -20.342 -3.711 1.00 0.00 O ATOM 0 H ASP A 38 -7.159 -16.935 -1.929 1.00 0.00 H new ATOM 0 HA ASP A 38 -9.469 -18.434 -1.954 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.703 -19.184 -0.920 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -7.958 -20.331 -1.346 1.00 0.00 H new ATOM 594 N THR A 39 -8.338 -17.922 1.100 1.00 0.00 N ATOM 595 CA THR A 39 -8.695 -17.997 2.511 1.00 0.00 C ATOM 596 C THR A 39 -9.672 -16.890 2.890 1.00 0.00 C ATOM 597 O THR A 39 -10.769 -17.158 3.379 1.00 0.00 O ATOM 598 CB THR A 39 -7.450 -17.898 3.412 1.00 0.00 C ATOM 599 OG1 THR A 39 -6.512 -16.973 2.851 1.00 0.00 O ATOM 600 CG2 THR A 39 -6.792 -19.260 3.577 1.00 0.00 C ATOM 0 H THR A 39 -7.452 -17.452 0.914 1.00 0.00 H new ATOM 0 HA THR A 39 -9.170 -18.966 2.666 1.00 0.00 H new ATOM 0 HB THR A 39 -7.765 -17.544 4.393 1.00 0.00 H new ATOM 0 HG1 THR A 39 -5.603 -17.229 3.114 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.915 -19.165 4.217 1.00 0.00 H new ATOM 0 HG22 THR A 39 -7.500 -19.953 4.031 1.00 0.00 H new ATOM 0 HG23 THR A 39 -6.489 -19.639 2.601 1.00 0.00 H new ATOM 608 N ASN A 40 -9.267 -15.645 2.661 1.00 0.00 N ATOM 609 CA ASN A 40 -10.108 -14.497 2.979 1.00 0.00 C ATOM 610 C ASN A 40 -11.257 -14.372 1.984 1.00 0.00 C ATOM 611 O ASN A 40 -11.245 -13.507 1.108 1.00 0.00 O ATOM 612 CB ASN A 40 -9.275 -13.213 2.976 1.00 0.00 C ATOM 613 CG ASN A 40 -8.613 -12.951 4.315 1.00 0.00 C ATOM 614 OD1 ASN A 40 -9.227 -12.395 5.226 1.00 0.00 O ATOM 615 ND2 ASN A 40 -7.353 -13.351 4.440 1.00 0.00 N ATOM 0 H ASN A 40 -8.362 -15.406 2.256 1.00 0.00 H new ATOM 0 HA ASN A 40 -10.527 -14.649 3.974 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -8.510 -13.281 2.203 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -9.914 -12.369 2.718 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -6.855 -13.201 5.318 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -6.883 -13.808 3.658 1.00 0.00 H new ATOM 622 N LYS A 41 -12.251 -15.243 2.124 1.00 0.00 N ATOM 623 CA LYS A 41 -13.411 -15.231 1.240 1.00 0.00 C ATOM 624 C LYS A 41 -14.312 -14.038 1.541 1.00 0.00 C ATOM 625 O LYS A 41 -14.417 -13.110 0.739 1.00 0.00 O ATOM 626 CB LYS A 41 -14.203 -16.532 1.387 1.00 0.00 C ATOM 627 CG LYS A 41 -13.679 -17.665 0.522 1.00 0.00 C ATOM 628 CD LYS A 41 -14.305 -18.995 0.905 1.00 0.00 C ATOM 629 CE LYS A 41 -13.662 -19.574 2.156 1.00 0.00 C ATOM 630 NZ LYS A 41 -13.993 -21.016 2.332 1.00 0.00 N ATOM 0 H LYS A 41 -12.276 -15.967 2.842 1.00 0.00 H new ATOM 0 HA LYS A 41 -13.054 -15.144 0.214 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -14.182 -16.844 2.431 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -15.246 -16.343 1.131 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -13.890 -17.451 -0.526 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -12.596 -17.730 0.623 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -15.374 -18.860 1.073 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -14.198 -19.700 0.080 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.580 -19.454 2.097 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.998 -19.015 3.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -13.537 -21.374 3.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -15.024 -21.128 2.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -13.650 -21.554 1.510 1.00 0.00 H new ATOM 644 N ASP A 42 -14.959 -14.068 2.701 1.00 0.00 N ATOM 645 CA ASP A 42 -15.849 -12.988 3.109 1.00 0.00 C ATOM 646 C ASP A 42 -15.094 -11.665 3.195 1.00 0.00 C ATOM 647 O ASP A 42 -15.521 -10.657 2.632 1.00 0.00 O ATOM 648 CB ASP A 42 -16.494 -13.310 4.457 1.00 0.00 C ATOM 649 CG ASP A 42 -17.462 -14.474 4.373 1.00 0.00 C ATOM 650 OD1 ASP A 42 -17.114 -15.490 3.735 1.00 0.00 O ATOM 651 OD2 ASP A 42 -18.567 -14.369 4.945 1.00 0.00 O ATOM 0 H ASP A 42 -14.883 -14.829 3.376 1.00 0.00 H new ATOM 0 HA ASP A 42 -16.631 -12.891 2.356 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -15.715 -13.541 5.183 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -17.021 -12.429 4.824 1.00 0.00 H new ATOM 656 N ASP A 43 -13.971 -11.676 3.905 1.00 0.00 N ATOM 657 CA ASP A 43 -13.156 -10.478 4.066 1.00 0.00 C ATOM 658 C ASP A 43 -13.218 -9.606 2.815 1.00 0.00 C ATOM 659 O ASP A 43 -12.498 -9.824 1.841 1.00 0.00 O ATOM 660 CB ASP A 43 -11.705 -10.858 4.366 1.00 0.00 C ATOM 661 CG ASP A 43 -11.454 -11.059 5.847 1.00 0.00 C ATOM 662 OD1 ASP A 43 -12.196 -11.843 6.474 1.00 0.00 O ATOM 663 OD2 ASP A 43 -10.514 -10.432 6.380 1.00 0.00 O ATOM 0 H ASP A 43 -13.604 -12.502 4.378 1.00 0.00 H new ATOM 0 HA ASP A 43 -13.555 -9.908 4.905 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -11.454 -11.774 3.830 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -11.043 -10.078 3.991 1.00 0.00 H new ATOM 668 N PRO A 44 -14.100 -8.596 2.841 1.00 0.00 N ATOM 669 CA PRO A 44 -14.278 -7.671 1.718 1.00 0.00 C ATOM 670 C PRO A 44 -13.078 -6.749 1.530 1.00 0.00 C ATOM 671 O PRO A 44 -12.823 -6.262 0.428 1.00 0.00 O ATOM 672 CB PRO A 44 -15.516 -6.864 2.115 1.00 0.00 C ATOM 673 CG PRO A 44 -15.550 -6.930 3.603 1.00 0.00 C ATOM 674 CD PRO A 44 -14.990 -8.277 3.970 1.00 0.00 C ATOM 0 HA PRO A 44 -14.382 -8.198 0.769 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -15.446 -5.834 1.766 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -16.421 -7.287 1.679 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.957 -6.128 4.043 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -16.568 -6.816 3.976 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -14.445 -8.242 4.914 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -15.777 -9.022 4.084 1.00 0.00 H new ATOM 682 N LYS A 45 -12.343 -6.514 2.612 1.00 0.00 N ATOM 683 CA LYS A 45 -11.168 -5.652 2.566 1.00 0.00 C ATOM 684 C LYS A 45 -9.995 -6.365 1.902 1.00 0.00 C ATOM 685 O LYS A 45 -9.266 -5.772 1.107 1.00 0.00 O ATOM 686 CB LYS A 45 -10.778 -5.213 3.980 1.00 0.00 C ATOM 687 CG LYS A 45 -11.823 -4.344 4.657 1.00 0.00 C ATOM 688 CD LYS A 45 -12.007 -3.023 3.929 1.00 0.00 C ATOM 689 CE LYS A 45 -12.906 -2.077 4.710 1.00 0.00 C ATOM 690 NZ LYS A 45 -14.336 -2.484 4.637 1.00 0.00 N ATOM 0 H LYS A 45 -12.541 -6.909 3.532 1.00 0.00 H new ATOM 0 HA LYS A 45 -11.417 -4.772 1.973 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -10.603 -6.099 4.591 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.836 -4.666 3.935 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -12.773 -4.877 4.692 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -11.526 -4.154 5.688 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -11.035 -2.555 3.770 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -12.437 -3.206 2.944 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -12.588 -2.052 5.752 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -12.796 -1.066 4.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -14.916 -1.814 5.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -14.647 -2.484 3.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -14.446 -3.439 5.034 1.00 0.00 H new ATOM 704 N ALA A 46 -9.821 -7.641 2.231 1.00 0.00 N ATOM 705 CA ALA A 46 -8.738 -8.435 1.663 1.00 0.00 C ATOM 706 C ALA A 46 -8.617 -8.203 0.161 1.00 0.00 C ATOM 707 O ALA A 46 -7.548 -7.852 -0.339 1.00 0.00 O ATOM 708 CB ALA A 46 -8.959 -9.912 1.955 1.00 0.00 C ATOM 0 H ALA A 46 -10.416 -8.147 2.888 1.00 0.00 H new ATOM 0 HA ALA A 46 -7.805 -8.119 2.129 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -8.143 -10.494 1.526 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.988 -10.069 3.033 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.904 -10.232 1.516 1.00 0.00 H new ATOM 714 N LYS A 47 -9.719 -8.403 -0.554 1.00 0.00 N ATOM 715 CA LYS A 47 -9.737 -8.215 -2.000 1.00 0.00 C ATOM 716 C LYS A 47 -8.967 -6.959 -2.395 1.00 0.00 C ATOM 717 O LYS A 47 -8.311 -6.924 -3.436 1.00 0.00 O ATOM 718 CB LYS A 47 -11.179 -8.122 -2.505 1.00 0.00 C ATOM 719 CG LYS A 47 -11.285 -7.876 -4.000 1.00 0.00 C ATOM 720 CD LYS A 47 -12.712 -8.048 -4.494 1.00 0.00 C ATOM 721 CE LYS A 47 -13.538 -6.793 -4.258 1.00 0.00 C ATOM 722 NZ LYS A 47 -13.403 -5.821 -5.378 1.00 0.00 N ATOM 0 H LYS A 47 -10.611 -8.695 -0.156 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.252 -9.077 -2.459 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.701 -9.047 -2.259 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -11.689 -7.317 -1.976 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -10.939 -6.868 -4.229 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -10.630 -8.567 -4.531 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -12.704 -8.285 -5.558 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -13.176 -8.892 -3.983 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -14.587 -7.066 -4.138 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -13.223 -6.321 -3.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -13.981 -4.980 -5.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -12.406 -5.541 -5.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -13.727 -6.263 -6.262 1.00 0.00 H new ATOM 736 N GLU A 48 -9.050 -5.931 -1.557 1.00 0.00 N ATOM 737 CA GLU A 48 -8.359 -4.674 -1.820 1.00 0.00 C ATOM 738 C GLU A 48 -6.923 -4.724 -1.308 1.00 0.00 C ATOM 739 O GLU A 48 -6.031 -4.078 -1.860 1.00 0.00 O ATOM 740 CB GLU A 48 -9.105 -3.509 -1.165 1.00 0.00 C ATOM 741 CG GLU A 48 -8.242 -2.278 -0.948 1.00 0.00 C ATOM 742 CD GLU A 48 -7.839 -1.612 -2.249 1.00 0.00 C ATOM 743 OE1 GLU A 48 -8.672 -1.573 -3.178 1.00 0.00 O ATOM 744 OE2 GLU A 48 -6.690 -1.129 -2.338 1.00 0.00 O ATOM 0 H GLU A 48 -9.588 -5.944 -0.691 1.00 0.00 H new ATOM 0 HA GLU A 48 -8.336 -4.521 -2.899 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -9.958 -3.239 -1.788 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.503 -3.837 -0.205 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.785 -1.562 -0.331 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -7.346 -2.560 -0.396 1.00 0.00 H new ATOM 751 N LYS A 49 -6.706 -5.496 -0.248 1.00 0.00 N ATOM 752 CA LYS A 49 -5.379 -5.633 0.340 1.00 0.00 C ATOM 753 C LYS A 49 -4.436 -6.367 -0.609 1.00 0.00 C ATOM 754 O LYS A 49 -3.289 -5.962 -0.797 1.00 0.00 O ATOM 755 CB LYS A 49 -5.463 -6.382 1.672 1.00 0.00 C ATOM 756 CG LYS A 49 -6.024 -5.542 2.807 1.00 0.00 C ATOM 757 CD LYS A 49 -4.923 -4.806 3.552 1.00 0.00 C ATOM 758 CE LYS A 49 -5.478 -4.010 4.723 1.00 0.00 C ATOM 759 NZ LYS A 49 -4.406 -3.601 5.673 1.00 0.00 N ATOM 0 H LYS A 49 -7.433 -6.036 0.221 1.00 0.00 H new ATOM 0 HA LYS A 49 -4.983 -4.633 0.517 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.086 -7.267 1.543 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.468 -6.731 1.947 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -6.739 -4.822 2.409 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.569 -6.183 3.501 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -4.186 -5.522 3.915 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.405 -4.135 2.867 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.990 -3.123 4.349 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -6.221 -4.609 5.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.824 -3.061 6.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.934 -4.448 6.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.710 -3.008 5.177 1.00 0.00 H new ATOM 773 N PHE A 50 -4.928 -7.449 -1.205 1.00 0.00 N ATOM 774 CA PHE A 50 -4.130 -8.239 -2.134 1.00 0.00 C ATOM 775 C PHE A 50 -3.749 -7.415 -3.361 1.00 0.00 C ATOM 776 O PHE A 50 -2.575 -7.321 -3.719 1.00 0.00 O ATOM 777 CB PHE A 50 -4.899 -9.490 -2.565 1.00 0.00 C ATOM 778 CG PHE A 50 -4.046 -10.505 -3.270 1.00 0.00 C ATOM 779 CD1 PHE A 50 -3.849 -10.432 -4.640 1.00 0.00 C ATOM 780 CD2 PHE A 50 -3.441 -11.532 -2.564 1.00 0.00 C ATOM 781 CE1 PHE A 50 -3.065 -11.364 -5.292 1.00 0.00 C ATOM 782 CE2 PHE A 50 -2.655 -12.467 -3.211 1.00 0.00 C ATOM 783 CZ PHE A 50 -2.468 -12.384 -4.577 1.00 0.00 C ATOM 0 H PHE A 50 -5.876 -7.798 -1.061 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.216 -8.541 -1.622 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -5.347 -9.952 -1.685 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -5.717 -9.195 -3.222 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -4.314 -9.637 -5.204 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -3.585 -11.603 -1.496 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.919 -11.295 -6.360 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.187 -13.262 -2.649 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.856 -13.115 -5.085 1.00 0.00 H new ATOM 793 N SER A 51 -4.751 -6.821 -4.001 1.00 0.00 N ATOM 794 CA SER A 51 -4.522 -6.008 -5.190 1.00 0.00 C ATOM 795 C SER A 51 -3.388 -5.014 -4.960 1.00 0.00 C ATOM 796 O SER A 51 -2.532 -4.823 -5.823 1.00 0.00 O ATOM 797 CB SER A 51 -5.800 -5.261 -5.576 1.00 0.00 C ATOM 798 OG SER A 51 -5.641 -4.580 -6.809 1.00 0.00 O ATOM 0 H SER A 51 -5.728 -6.887 -3.717 1.00 0.00 H new ATOM 0 HA SER A 51 -4.238 -6.673 -6.005 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.628 -5.966 -5.651 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.058 -4.547 -4.794 1.00 0.00 H new ATOM 0 HG SER A 51 -6.472 -4.112 -7.034 1.00 0.00 H new ATOM 804 N GLN A 52 -3.391 -4.384 -3.789 1.00 0.00 N ATOM 805 CA GLN A 52 -2.363 -3.409 -3.445 1.00 0.00 C ATOM 806 C GLN A 52 -1.008 -4.086 -3.268 1.00 0.00 C ATOM 807 O GLN A 52 0.009 -3.603 -3.769 1.00 0.00 O ATOM 808 CB GLN A 52 -2.746 -2.664 -2.165 1.00 0.00 C ATOM 809 CG GLN A 52 -3.769 -1.561 -2.385 1.00 0.00 C ATOM 810 CD GLN A 52 -3.232 -0.429 -3.239 1.00 0.00 C ATOM 811 OE1 GLN A 52 -2.126 -0.511 -3.774 1.00 0.00 O ATOM 812 NE2 GLN A 52 -4.015 0.635 -3.371 1.00 0.00 N ATOM 0 H GLN A 52 -4.093 -4.531 -3.064 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.287 -2.694 -4.264 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -3.144 -3.378 -1.444 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.848 -2.232 -1.723 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.655 -1.982 -2.861 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.084 -1.165 -1.420 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.924 0.660 -2.909 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.707 1.428 -3.934 1.00 0.00 H new ATOM 821 N LEU A 53 -1.000 -5.205 -2.553 1.00 0.00 N ATOM 822 CA LEU A 53 0.231 -5.949 -2.309 1.00 0.00 C ATOM 823 C LEU A 53 0.976 -6.210 -3.614 1.00 0.00 C ATOM 824 O LEU A 53 2.122 -5.793 -3.779 1.00 0.00 O ATOM 825 CB LEU A 53 -0.081 -7.275 -1.613 1.00 0.00 C ATOM 826 CG LEU A 53 -0.375 -7.193 -0.115 1.00 0.00 C ATOM 827 CD1 LEU A 53 -0.858 -8.536 0.409 1.00 0.00 C ATOM 828 CD2 LEU A 53 0.859 -6.733 0.647 1.00 0.00 C ATOM 0 H LEU A 53 -1.832 -5.618 -2.132 1.00 0.00 H new ATOM 0 HA LEU A 53 0.869 -5.347 -1.662 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.940 -7.729 -2.107 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.764 -7.948 -1.761 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.167 -6.460 0.040 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.062 -8.458 1.477 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.770 -8.824 -0.115 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.089 -9.290 0.241 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.631 -6.681 1.712 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.672 -7.441 0.485 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.160 -5.747 0.291 1.00 0.00 H new ATOM 840 N ALA A 54 0.317 -6.900 -4.539 1.00 0.00 N ATOM 841 CA ALA A 54 0.916 -7.213 -5.830 1.00 0.00 C ATOM 842 C ALA A 54 1.550 -5.975 -6.456 1.00 0.00 C ATOM 843 O ALA A 54 2.743 -5.963 -6.755 1.00 0.00 O ATOM 844 CB ALA A 54 -0.128 -7.804 -6.767 1.00 0.00 C ATOM 0 H ALA A 54 -0.632 -7.253 -4.418 1.00 0.00 H new ATOM 0 HA ALA A 54 1.703 -7.950 -5.668 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.333 -8.033 -7.728 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.532 -8.718 -6.331 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.934 -7.085 -6.914 1.00 0.00 H new ATOM 850 N GLU A 55 0.743 -4.937 -6.651 1.00 0.00 N ATOM 851 CA GLU A 55 1.226 -3.695 -7.242 1.00 0.00 C ATOM 852 C GLU A 55 2.444 -3.171 -6.487 1.00 0.00 C ATOM 853 O GLU A 55 3.437 -2.768 -7.093 1.00 0.00 O ATOM 854 CB GLU A 55 0.119 -2.639 -7.242 1.00 0.00 C ATOM 855 CG GLU A 55 0.454 -1.405 -8.062 1.00 0.00 C ATOM 856 CD GLU A 55 1.001 -1.748 -9.435 1.00 0.00 C ATOM 857 OE1 GLU A 55 0.360 -2.552 -10.144 1.00 0.00 O ATOM 858 OE2 GLU A 55 2.069 -1.213 -9.799 1.00 0.00 O ATOM 0 H GLU A 55 -0.248 -4.932 -6.408 1.00 0.00 H new ATOM 0 HA GLU A 55 1.519 -3.903 -8.271 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.797 -3.085 -7.630 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.084 -2.338 -6.214 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.441 -0.794 -8.174 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.186 -0.803 -7.523 1.00 0.00 H new ATOM 865 N ALA A 56 2.360 -3.179 -5.161 1.00 0.00 N ATOM 866 CA ALA A 56 3.454 -2.706 -4.323 1.00 0.00 C ATOM 867 C ALA A 56 4.744 -3.460 -4.627 1.00 0.00 C ATOM 868 O ALA A 56 5.804 -2.856 -4.795 1.00 0.00 O ATOM 869 CB ALA A 56 3.092 -2.848 -2.852 1.00 0.00 C ATOM 0 H ALA A 56 1.545 -3.508 -4.644 1.00 0.00 H new ATOM 0 HA ALA A 56 3.619 -1.652 -4.545 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.919 -2.491 -2.238 1.00 0.00 H new ATOM 0 HB2 ALA A 56 2.200 -2.259 -2.638 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.898 -3.896 -2.625 1.00 0.00 H new ATOM 875 N TYR A 57 4.648 -4.784 -4.696 1.00 0.00 N ATOM 876 CA TYR A 57 5.808 -5.621 -4.977 1.00 0.00 C ATOM 877 C TYR A 57 6.312 -5.394 -6.398 1.00 0.00 C ATOM 878 O TYR A 57 7.515 -5.278 -6.630 1.00 0.00 O ATOM 879 CB TYR A 57 5.458 -7.096 -4.777 1.00 0.00 C ATOM 880 CG TYR A 57 6.498 -8.045 -5.330 1.00 0.00 C ATOM 881 CD1 TYR A 57 7.741 -8.176 -4.724 1.00 0.00 C ATOM 882 CD2 TYR A 57 6.236 -8.812 -6.459 1.00 0.00 C ATOM 883 CE1 TYR A 57 8.693 -9.041 -5.227 1.00 0.00 C ATOM 884 CE2 TYR A 57 7.182 -9.680 -6.968 1.00 0.00 C ATOM 885 CZ TYR A 57 8.409 -9.791 -6.349 1.00 0.00 C ATOM 886 OH TYR A 57 9.355 -10.654 -6.852 1.00 0.00 O ATOM 0 H TYR A 57 3.779 -5.300 -4.561 1.00 0.00 H new ATOM 0 HA TYR A 57 6.601 -5.345 -4.282 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.331 -7.290 -3.712 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.500 -7.302 -5.255 1.00 0.00 H new ATOM 0 HD1 TYR A 57 7.967 -7.591 -3.844 1.00 0.00 H new ATOM 0 HD2 TYR A 57 5.276 -8.728 -6.947 1.00 0.00 H new ATOM 0 HE1 TYR A 57 9.655 -9.130 -4.744 1.00 0.00 H new ATOM 0 HE2 TYR A 57 6.962 -10.269 -7.846 1.00 0.00 H new ATOM 0 HH TYR A 57 8.996 -11.107 -7.644 1.00 0.00 H new ATOM 896 N GLU A 58 5.382 -5.331 -7.346 1.00 0.00 N ATOM 897 CA GLU A 58 5.732 -5.118 -8.746 1.00 0.00 C ATOM 898 C GLU A 58 6.467 -3.793 -8.927 1.00 0.00 C ATOM 899 O GLU A 58 7.414 -3.698 -9.708 1.00 0.00 O ATOM 900 CB GLU A 58 4.474 -5.139 -9.617 1.00 0.00 C ATOM 901 CG GLU A 58 4.756 -4.935 -11.097 1.00 0.00 C ATOM 902 CD GLU A 58 3.503 -5.021 -11.946 1.00 0.00 C ATOM 903 OE1 GLU A 58 2.459 -4.487 -11.518 1.00 0.00 O ATOM 904 OE2 GLU A 58 3.566 -5.623 -13.039 1.00 0.00 O ATOM 0 H GLU A 58 4.382 -5.424 -7.170 1.00 0.00 H new ATOM 0 HA GLU A 58 6.394 -5.926 -9.056 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.964 -6.092 -9.481 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.792 -4.361 -9.275 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.223 -3.961 -11.243 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.471 -5.686 -11.434 1.00 0.00 H new ATOM 911 N VAL A 59 6.024 -2.772 -8.200 1.00 0.00 N ATOM 912 CA VAL A 59 6.640 -1.453 -8.279 1.00 0.00 C ATOM 913 C VAL A 59 8.000 -1.439 -7.591 1.00 0.00 C ATOM 914 O VAL A 59 9.024 -1.169 -8.221 1.00 0.00 O ATOM 915 CB VAL A 59 5.742 -0.376 -7.642 1.00 0.00 C ATOM 916 CG1 VAL A 59 6.460 0.965 -7.607 1.00 0.00 C ATOM 917 CG2 VAL A 59 4.425 -0.266 -8.395 1.00 0.00 C ATOM 0 H VAL A 59 5.241 -2.833 -7.550 1.00 0.00 H new ATOM 0 HA VAL A 59 6.770 -1.227 -9.337 1.00 0.00 H new ATOM 0 HB VAL A 59 5.523 -0.671 -6.616 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.810 1.714 -7.154 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.373 0.873 -7.019 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.711 1.270 -8.623 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.803 0.500 -7.931 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.621 0.005 -9.432 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.906 -1.224 -8.362 1.00 0.00 H new ATOM 927 N LEU A 60 8.004 -1.731 -6.295 1.00 0.00 N ATOM 928 CA LEU A 60 9.239 -1.753 -5.520 1.00 0.00 C ATOM 929 C LEU A 60 10.276 -2.661 -6.173 1.00 0.00 C ATOM 930 O LEU A 60 11.430 -2.272 -6.355 1.00 0.00 O ATOM 931 CB LEU A 60 8.960 -2.223 -4.091 1.00 0.00 C ATOM 932 CG LEU A 60 8.005 -1.353 -3.273 1.00 0.00 C ATOM 933 CD1 LEU A 60 7.603 -2.064 -1.990 1.00 0.00 C ATOM 934 CD2 LEU A 60 8.644 -0.008 -2.962 1.00 0.00 C ATOM 0 H LEU A 60 7.166 -1.956 -5.759 1.00 0.00 H new ATOM 0 HA LEU A 60 9.638 -0.739 -5.491 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.552 -3.233 -4.135 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.909 -2.285 -3.559 1.00 0.00 H new ATOM 0 HG LEU A 60 7.106 -1.178 -3.864 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.923 -1.430 -1.420 1.00 0.00 H new ATOM 0 HD12 LEU A 60 7.105 -3.002 -2.235 1.00 0.00 H new ATOM 0 HD13 LEU A 60 8.492 -2.270 -1.394 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.950 0.598 -2.379 1.00 0.00 H new ATOM 0 HD22 LEU A 60 9.559 -0.163 -2.390 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.881 0.506 -3.893 1.00 0.00 H new ATOM 946 N SER A 61 9.857 -3.872 -6.524 1.00 0.00 N ATOM 947 CA SER A 61 10.749 -4.837 -7.156 1.00 0.00 C ATOM 948 C SER A 61 11.501 -4.200 -8.321 1.00 0.00 C ATOM 949 O SER A 61 12.726 -4.289 -8.407 1.00 0.00 O ATOM 950 CB SER A 61 9.958 -6.050 -7.647 1.00 0.00 C ATOM 951 OG SER A 61 8.957 -5.666 -8.573 1.00 0.00 O ATOM 0 H SER A 61 8.905 -4.209 -6.381 1.00 0.00 H new ATOM 0 HA SER A 61 11.476 -5.164 -6.412 1.00 0.00 H new ATOM 0 HB2 SER A 61 10.635 -6.765 -8.115 1.00 0.00 H new ATOM 0 HB3 SER A 61 9.498 -6.556 -6.798 1.00 0.00 H new ATOM 0 HG SER A 61 8.075 -5.741 -8.151 1.00 0.00 H new ATOM 957 N ASP A 62 10.758 -3.558 -9.215 1.00 0.00 N ATOM 958 CA ASP A 62 11.352 -2.904 -10.376 1.00 0.00 C ATOM 959 C ASP A 62 12.158 -1.679 -9.956 1.00 0.00 C ATOM 960 O ASP A 62 11.651 -0.800 -9.259 1.00 0.00 O ATOM 961 CB ASP A 62 10.265 -2.498 -11.371 1.00 0.00 C ATOM 962 CG ASP A 62 10.800 -2.342 -12.781 1.00 0.00 C ATOM 963 OD1 ASP A 62 11.944 -2.775 -13.032 1.00 0.00 O ATOM 964 OD2 ASP A 62 10.075 -1.786 -13.633 1.00 0.00 O ATOM 0 H ASP A 62 9.743 -3.476 -9.159 1.00 0.00 H new ATOM 0 HA ASP A 62 12.026 -3.613 -10.856 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.474 -3.248 -11.367 1.00 0.00 H new ATOM 0 HB3 ASP A 62 9.815 -1.558 -11.050 1.00 0.00 H new ATOM 969 N GLU A 63 13.416 -1.629 -10.383 1.00 0.00 N ATOM 970 CA GLU A 63 14.292 -0.512 -10.049 1.00 0.00 C ATOM 971 C GLU A 63 13.735 0.799 -10.597 1.00 0.00 C ATOM 972 O GLU A 63 13.958 1.867 -10.027 1.00 0.00 O ATOM 973 CB GLU A 63 15.697 -0.753 -10.604 1.00 0.00 C ATOM 974 CG GLU A 63 15.726 -0.994 -12.104 1.00 0.00 C ATOM 975 CD GLU A 63 17.121 -0.875 -12.688 1.00 0.00 C ATOM 976 OE1 GLU A 63 17.902 -0.038 -12.190 1.00 0.00 O ATOM 977 OE2 GLU A 63 17.431 -1.619 -13.641 1.00 0.00 O ATOM 0 H GLU A 63 13.851 -2.348 -10.960 1.00 0.00 H new ATOM 0 HA GLU A 63 14.346 -0.438 -8.963 1.00 0.00 H new ATOM 0 HB2 GLU A 63 16.323 0.108 -10.371 1.00 0.00 H new ATOM 0 HB3 GLU A 63 16.136 -1.613 -10.098 1.00 0.00 H new ATOM 0 HG2 GLU A 63 15.331 -1.988 -12.316 1.00 0.00 H new ATOM 0 HG3 GLU A 63 15.068 -0.278 -12.596 1.00 0.00 H new ATOM 984 N VAL A 64 13.010 0.709 -11.707 1.00 0.00 N ATOM 985 CA VAL A 64 12.420 1.886 -12.333 1.00 0.00 C ATOM 986 C VAL A 64 11.211 2.380 -11.546 1.00 0.00 C ATOM 987 O VAL A 64 11.211 3.492 -11.018 1.00 0.00 O ATOM 988 CB VAL A 64 11.991 1.596 -13.783 1.00 0.00 C ATOM 989 CG1 VAL A 64 11.347 2.825 -14.406 1.00 0.00 C ATOM 990 CG2 VAL A 64 13.182 1.132 -14.608 1.00 0.00 C ATOM 0 H VAL A 64 12.817 -0.168 -12.192 1.00 0.00 H new ATOM 0 HA VAL A 64 13.188 2.660 -12.337 1.00 0.00 H new ATOM 0 HB VAL A 64 11.252 0.795 -13.771 1.00 0.00 H new ATOM 0 HG11 VAL A 64 11.051 2.601 -15.431 1.00 0.00 H new ATOM 0 HG12 VAL A 64 10.468 3.108 -13.827 1.00 0.00 H new ATOM 0 HG13 VAL A 64 12.061 3.649 -14.407 1.00 0.00 H new ATOM 0 HG21 VAL A 64 12.861 0.932 -15.630 1.00 0.00 H new ATOM 0 HG22 VAL A 64 13.946 1.910 -14.614 1.00 0.00 H new ATOM 0 HG23 VAL A 64 13.594 0.222 -14.172 1.00 0.00 H new ATOM 1000 N LYS A 65 10.181 1.544 -11.470 1.00 0.00 N ATOM 1001 CA LYS A 65 8.964 1.893 -10.746 1.00 0.00 C ATOM 1002 C LYS A 65 9.292 2.410 -9.349 1.00 0.00 C ATOM 1003 O LYS A 65 8.654 3.341 -8.856 1.00 0.00 O ATOM 1004 CB LYS A 65 8.039 0.678 -10.647 1.00 0.00 C ATOM 1005 CG LYS A 65 7.613 0.126 -11.997 1.00 0.00 C ATOM 1006 CD LYS A 65 6.697 -1.076 -11.844 1.00 0.00 C ATOM 1007 CE LYS A 65 6.088 -1.486 -13.176 1.00 0.00 C ATOM 1008 NZ LYS A 65 5.054 -0.518 -13.635 1.00 0.00 N ATOM 0 H LYS A 65 10.165 0.620 -11.901 1.00 0.00 H new ATOM 0 HA LYS A 65 8.457 2.684 -11.298 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.544 -0.108 -10.086 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.150 0.954 -10.080 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.102 0.904 -12.564 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.496 -0.159 -12.570 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.259 -1.912 -11.427 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.902 -0.841 -11.136 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.874 -1.561 -13.927 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.642 -2.476 -13.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.535 -0.921 -14.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.391 -0.324 -12.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.513 0.368 -13.928 1.00 0.00 H new ATOM 1022 N ARG A 66 10.291 1.803 -8.717 1.00 0.00 N ATOM 1023 CA ARG A 66 10.703 2.203 -7.377 1.00 0.00 C ATOM 1024 C ARG A 66 11.300 3.607 -7.389 1.00 0.00 C ATOM 1025 O ARG A 66 10.940 4.454 -6.570 1.00 0.00 O ATOM 1026 CB ARG A 66 11.722 1.209 -6.816 1.00 0.00 C ATOM 1027 CG ARG A 66 11.796 1.205 -5.298 1.00 0.00 C ATOM 1028 CD ARG A 66 13.105 0.606 -4.806 1.00 0.00 C ATOM 1029 NE ARG A 66 13.355 0.918 -3.401 1.00 0.00 N ATOM 1030 CZ ARG A 66 14.516 0.697 -2.795 1.00 0.00 C ATOM 1031 NH1 ARG A 66 15.528 0.166 -3.467 1.00 0.00 N ATOM 1032 NH2 ARG A 66 14.667 1.007 -1.514 1.00 0.00 N ATOM 0 H ARG A 66 10.830 1.032 -9.111 1.00 0.00 H new ATOM 0 HA ARG A 66 9.820 2.207 -6.738 1.00 0.00 H new ATOM 0 HB2 ARG A 66 11.468 0.207 -7.162 1.00 0.00 H new ATOM 0 HB3 ARG A 66 12.707 1.445 -7.219 1.00 0.00 H new ATOM 0 HG2 ARG A 66 11.698 2.225 -4.925 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.959 0.636 -4.893 1.00 0.00 H new ATOM 0 HD2 ARG A 66 13.081 -0.476 -4.939 1.00 0.00 H new ATOM 0 HD3 ARG A 66 13.928 0.984 -5.413 1.00 0.00 H new ATOM 0 HE ARG A 66 12.597 1.328 -2.856 1.00 0.00 H new ATOM 0 HH11 ARG A 66 15.416 -0.074 -4.452 1.00 0.00 H new ATOM 0 HH12 ARG A 66 16.418 -0.003 -2.999 1.00 0.00 H new ATOM 0 HH21 ARG A 66 13.891 1.416 -0.993 1.00 0.00 H new ATOM 0 HH22 ARG A 66 15.559 0.837 -1.050 1.00 0.00 H new ATOM 1046 N LYS A 67 12.215 3.848 -8.322 1.00 0.00 N ATOM 1047 CA LYS A 67 12.862 5.150 -8.441 1.00 0.00 C ATOM 1048 C LYS A 67 11.827 6.263 -8.566 1.00 0.00 C ATOM 1049 O LYS A 67 11.902 7.273 -7.867 1.00 0.00 O ATOM 1050 CB LYS A 67 13.795 5.169 -9.654 1.00 0.00 C ATOM 1051 CG LYS A 67 15.213 4.725 -9.338 1.00 0.00 C ATOM 1052 CD LYS A 67 16.210 5.296 -10.332 1.00 0.00 C ATOM 1053 CE LYS A 67 16.515 6.757 -10.038 1.00 0.00 C ATOM 1054 NZ LYS A 67 17.335 7.380 -11.114 1.00 0.00 N ATOM 0 H LYS A 67 12.525 3.159 -9.007 1.00 0.00 H new ATOM 0 HA LYS A 67 13.446 5.321 -7.537 1.00 0.00 H new ATOM 0 HB2 LYS A 67 13.384 4.521 -10.428 1.00 0.00 H new ATOM 0 HB3 LYS A 67 13.822 6.178 -10.065 1.00 0.00 H new ATOM 0 HG2 LYS A 67 15.479 5.044 -8.330 1.00 0.00 H new ATOM 0 HG3 LYS A 67 15.266 3.636 -9.352 1.00 0.00 H new ATOM 0 HD2 LYS A 67 17.133 4.716 -10.297 1.00 0.00 H new ATOM 0 HD3 LYS A 67 15.812 5.202 -11.343 1.00 0.00 H new ATOM 0 HE2 LYS A 67 15.581 7.308 -9.928 1.00 0.00 H new ATOM 0 HE3 LYS A 67 17.044 6.834 -9.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 17.521 8.375 -10.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 18.237 6.870 -11.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 16.820 7.330 -12.016 1.00 0.00 H new ATOM 1068 N GLN A 68 10.861 6.069 -9.458 1.00 0.00 N ATOM 1069 CA GLN A 68 9.810 7.058 -9.672 1.00 0.00 C ATOM 1070 C GLN A 68 8.901 7.159 -8.451 1.00 0.00 C ATOM 1071 O GLN A 68 8.542 8.255 -8.021 1.00 0.00 O ATOM 1072 CB GLN A 68 8.985 6.696 -10.908 1.00 0.00 C ATOM 1073 CG GLN A 68 9.693 6.995 -12.220 1.00 0.00 C ATOM 1074 CD GLN A 68 9.566 8.448 -12.634 1.00 0.00 C ATOM 1075 OE1 GLN A 68 9.960 9.352 -11.896 1.00 0.00 O ATOM 1076 NE2 GLN A 68 9.016 8.680 -13.820 1.00 0.00 N ATOM 0 H GLN A 68 10.784 5.237 -10.044 1.00 0.00 H new ATOM 0 HA GLN A 68 10.284 8.027 -9.831 1.00 0.00 H new ATOM 0 HB2 GLN A 68 8.738 5.635 -10.872 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.043 7.244 -10.880 1.00 0.00 H new ATOM 0 HG2 GLN A 68 10.748 6.739 -12.125 1.00 0.00 H new ATOM 0 HG3 GLN A 68 9.280 6.360 -13.004 1.00 0.00 H new ATOM 0 HE21 GLN A 68 8.704 7.900 -14.399 1.00 0.00 H new ATOM 0 HE22 GLN A 68 8.906 9.638 -14.152 1.00 0.00 H new ATOM 1085 N TYR A 69 8.532 6.009 -7.898 1.00 0.00 N ATOM 1086 CA TYR A 69 7.662 5.968 -6.728 1.00 0.00 C ATOM 1087 C TYR A 69 8.316 6.664 -5.539 1.00 0.00 C ATOM 1088 O TYR A 69 7.643 7.314 -4.738 1.00 0.00 O ATOM 1089 CB TYR A 69 7.328 4.520 -6.366 1.00 0.00 C ATOM 1090 CG TYR A 69 6.854 4.347 -4.940 1.00 0.00 C ATOM 1091 CD1 TYR A 69 5.850 5.154 -4.419 1.00 0.00 C ATOM 1092 CD2 TYR A 69 7.408 3.376 -4.116 1.00 0.00 C ATOM 1093 CE1 TYR A 69 5.414 4.999 -3.117 1.00 0.00 C ATOM 1094 CE2 TYR A 69 6.977 3.213 -2.814 1.00 0.00 C ATOM 1095 CZ TYR A 69 5.981 4.028 -2.319 1.00 0.00 C ATOM 1096 OH TYR A 69 5.548 3.870 -1.022 1.00 0.00 O ATOM 0 H TYR A 69 8.822 5.093 -8.241 1.00 0.00 H new ATOM 0 HA TYR A 69 6.740 6.496 -6.973 1.00 0.00 H new ATOM 0 HB2 TYR A 69 6.557 4.153 -7.044 1.00 0.00 H new ATOM 0 HB3 TYR A 69 8.212 3.902 -6.524 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.403 5.915 -5.042 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.190 2.737 -4.500 1.00 0.00 H new ATOM 0 HE1 TYR A 69 4.633 5.635 -2.727 1.00 0.00 H new ATOM 0 HE2 TYR A 69 7.417 2.452 -2.187 1.00 0.00 H new ATOM 0 HH TYR A 69 6.321 3.841 -0.420 1.00 0.00 H new ATOM 1106 N ASP A 70 9.633 6.524 -5.430 1.00 0.00 N ATOM 1107 CA ASP A 70 10.380 7.141 -4.340 1.00 0.00 C ATOM 1108 C ASP A 70 10.393 8.660 -4.481 1.00 0.00 C ATOM 1109 O ASP A 70 10.280 9.385 -3.493 1.00 0.00 O ATOM 1110 CB ASP A 70 11.813 6.607 -4.310 1.00 0.00 C ATOM 1111 CG ASP A 70 12.603 7.138 -3.130 1.00 0.00 C ATOM 1112 OD1 ASP A 70 12.794 8.369 -3.049 1.00 0.00 O ATOM 1113 OD2 ASP A 70 13.031 6.321 -2.287 1.00 0.00 O ATOM 0 H ASP A 70 10.205 5.989 -6.083 1.00 0.00 H new ATOM 0 HA ASP A 70 9.885 6.886 -3.403 1.00 0.00 H new ATOM 0 HB2 ASP A 70 11.791 5.518 -4.269 1.00 0.00 H new ATOM 0 HB3 ASP A 70 12.319 6.881 -5.236 1.00 0.00 H new ATOM 1118 N ALA A 71 10.532 9.134 -5.715 1.00 0.00 N ATOM 1119 CA ALA A 71 10.559 10.566 -5.985 1.00 0.00 C ATOM 1120 C ALA A 71 9.285 11.242 -5.488 1.00 0.00 C ATOM 1121 O ALA A 71 9.339 12.268 -4.810 1.00 0.00 O ATOM 1122 CB ALA A 71 10.747 10.819 -7.473 1.00 0.00 C ATOM 0 H ALA A 71 10.628 8.547 -6.544 1.00 0.00 H new ATOM 0 HA ALA A 71 11.402 10.997 -5.445 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.765 11.893 -7.660 1.00 0.00 H new ATOM 0 HB2 ALA A 71 11.688 10.377 -7.801 1.00 0.00 H new ATOM 0 HB3 ALA A 71 9.923 10.368 -8.026 1.00 0.00 H new ATOM 1128 N TYR A 72 8.140 10.661 -5.832 1.00 0.00 N ATOM 1129 CA TYR A 72 6.853 11.210 -5.423 1.00 0.00 C ATOM 1130 C TYR A 72 6.551 10.867 -3.968 1.00 0.00 C ATOM 1131 O TYR A 72 5.704 11.493 -3.333 1.00 0.00 O ATOM 1132 CB TYR A 72 5.739 10.677 -6.326 1.00 0.00 C ATOM 1133 CG TYR A 72 5.773 11.241 -7.728 1.00 0.00 C ATOM 1134 CD1 TYR A 72 6.800 10.914 -8.605 1.00 0.00 C ATOM 1135 CD2 TYR A 72 4.780 12.103 -8.176 1.00 0.00 C ATOM 1136 CE1 TYR A 72 6.837 11.427 -9.887 1.00 0.00 C ATOM 1137 CE2 TYR A 72 4.807 12.620 -9.457 1.00 0.00 C ATOM 1138 CZ TYR A 72 5.837 12.280 -10.308 1.00 0.00 C ATOM 1139 OH TYR A 72 5.869 12.794 -11.584 1.00 0.00 O ATOM 0 H TYR A 72 8.078 9.811 -6.392 1.00 0.00 H new ATOM 0 HA TYR A 72 6.902 12.295 -5.518 1.00 0.00 H new ATOM 0 HB2 TYR A 72 5.814 9.591 -6.379 1.00 0.00 H new ATOM 0 HB3 TYR A 72 4.775 10.908 -5.874 1.00 0.00 H new ATOM 0 HD1 TYR A 72 7.584 10.247 -8.278 1.00 0.00 H new ATOM 0 HD2 TYR A 72 3.973 12.374 -7.511 1.00 0.00 H new ATOM 0 HE1 TYR A 72 7.643 11.162 -10.555 1.00 0.00 H new ATOM 0 HE2 TYR A 72 4.025 13.287 -9.790 1.00 0.00 H new ATOM 0 HH TYR A 72 5.092 13.376 -11.722 1.00 0.00 H new ATOM 1149 N GLY A 73 7.254 9.866 -3.444 1.00 0.00 N ATOM 1150 CA GLY A 73 7.048 9.457 -2.068 1.00 0.00 C ATOM 1151 C GLY A 73 8.332 9.466 -1.262 1.00 0.00 C ATOM 1152 O GLY A 73 9.017 8.448 -1.160 1.00 0.00 O ATOM 0 H GLY A 73 7.962 9.332 -3.949 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.324 10.123 -1.599 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.619 8.455 -2.050 1.00 0.00 H new ATOM 1156 N SER A 74 8.662 10.620 -0.690 1.00 0.00 N ATOM 1157 CA SER A 74 9.875 10.760 0.106 1.00 0.00 C ATOM 1158 C SER A 74 9.595 11.529 1.394 1.00 0.00 C ATOM 1159 O SER A 74 8.568 12.194 1.521 1.00 0.00 O ATOM 1160 CB SER A 74 10.961 11.473 -0.702 1.00 0.00 C ATOM 1161 OG SER A 74 12.254 11.126 -0.236 1.00 0.00 O ATOM 0 H SER A 74 8.106 11.472 -0.763 1.00 0.00 H new ATOM 0 HA SER A 74 10.224 9.762 0.369 1.00 0.00 H new ATOM 0 HB2 SER A 74 10.868 11.209 -1.755 1.00 0.00 H new ATOM 0 HB3 SER A 74 10.823 12.552 -0.631 1.00 0.00 H new ATOM 0 HG SER A 74 12.930 11.593 -0.770 1.00 0.00 H new ATOM 1167 N GLY A 75 10.518 11.432 2.346 1.00 0.00 N ATOM 1168 CA GLY A 75 10.353 12.122 3.612 1.00 0.00 C ATOM 1169 C GLY A 75 11.673 12.372 4.312 1.00 0.00 C ATOM 1170 O GLY A 75 12.741 12.011 3.818 1.00 0.00 O ATOM 0 H GLY A 75 11.377 10.888 2.263 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.850 13.074 3.441 1.00 0.00 H new ATOM 0 HA3 GLY A 75 9.706 11.532 4.262 1.00 0.00 H new ATOM 1174 N PRO A 76 11.611 13.007 5.492 1.00 0.00 N ATOM 1175 CA PRO A 76 12.802 13.321 6.287 1.00 0.00 C ATOM 1176 C PRO A 76 13.447 12.073 6.881 1.00 0.00 C ATOM 1177 O PRO A 76 12.763 11.101 7.200 1.00 0.00 O ATOM 1178 CB PRO A 76 12.261 14.223 7.398 1.00 0.00 C ATOM 1179 CG PRO A 76 10.825 13.848 7.525 1.00 0.00 C ATOM 1180 CD PRO A 76 10.372 13.467 6.142 1.00 0.00 C ATOM 0 HA PRO A 76 13.583 13.786 5.685 1.00 0.00 H new ATOM 0 HB2 PRO A 76 12.796 14.063 8.334 1.00 0.00 H new ATOM 0 HB3 PRO A 76 12.374 15.277 7.143 1.00 0.00 H new ATOM 0 HG2 PRO A 76 10.699 13.018 8.220 1.00 0.00 H new ATOM 0 HG3 PRO A 76 10.237 14.680 7.913 1.00 0.00 H new ATOM 0 HD2 PRO A 76 9.617 12.682 6.169 1.00 0.00 H new ATOM 0 HD3 PRO A 76 9.933 14.314 5.615 1.00 0.00 H new ATOM 1188 N SER A 77 14.768 12.108 7.027 1.00 0.00 N ATOM 1189 CA SER A 77 15.506 10.979 7.581 1.00 0.00 C ATOM 1190 C SER A 77 15.296 10.878 9.088 1.00 0.00 C ATOM 1191 O SER A 77 15.403 11.871 9.809 1.00 0.00 O ATOM 1192 CB SER A 77 16.998 11.116 7.270 1.00 0.00 C ATOM 1193 OG SER A 77 17.224 11.180 5.873 1.00 0.00 O ATOM 0 H SER A 77 15.349 12.906 6.769 1.00 0.00 H new ATOM 0 HA SER A 77 15.128 10.068 7.118 1.00 0.00 H new ATOM 0 HB2 SER A 77 17.391 12.014 7.747 1.00 0.00 H new ATOM 0 HB3 SER A 77 17.540 10.269 7.691 1.00 0.00 H new ATOM 0 HG SER A 77 18.185 11.269 5.701 1.00 0.00 H new ATOM 1199 N SER A 78 14.995 9.672 9.559 1.00 0.00 N ATOM 1200 CA SER A 78 14.766 9.441 10.980 1.00 0.00 C ATOM 1201 C SER A 78 15.748 8.410 11.529 1.00 0.00 C ATOM 1202 O SER A 78 16.454 7.745 10.772 1.00 0.00 O ATOM 1203 CB SER A 78 13.329 8.970 11.216 1.00 0.00 C ATOM 1204 OG SER A 78 13.012 7.866 10.387 1.00 0.00 O ATOM 0 H SER A 78 14.904 8.840 8.977 1.00 0.00 H new ATOM 0 HA SER A 78 14.924 10.383 11.506 1.00 0.00 H new ATOM 0 HB2 SER A 78 13.201 8.692 12.262 1.00 0.00 H new ATOM 0 HB3 SER A 78 12.637 9.789 11.017 1.00 0.00 H new ATOM 0 HG SER A 78 12.089 7.583 10.558 1.00 0.00 H new ATOM 1210 N GLY A 79 15.786 8.284 12.852 1.00 0.00 N ATOM 1211 CA GLY A 79 16.684 7.333 13.480 1.00 0.00 C ATOM 1212 C GLY A 79 18.143 7.680 13.260 1.00 0.00 C ATOM 1213 O GLY A 79 18.460 8.723 12.688 1.00 0.00 O ATOM 0 H GLY A 79 15.211 8.823 13.500 1.00 0.00 H new ATOM 0 HA2 GLY A 79 16.480 7.297 14.550 1.00 0.00 H new ATOM 0 HA3 GLY A 79 16.487 6.337 13.085 1.00 0.00 H new TER 1217 GLY A 79