USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 667 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 91 HIS : no HD1:sc= -1.69 K(o=-1.9,f=-3.4!) USER MOD Set 1.2: A 97 ASN : amide:sc= -0.252 K(o=-1.9,f=-2.5) USER MOD Set 2.1: A 40 HIS : no HD1:sc= 0.396 K(o=0.4,f=-1.7) USER MOD Set 2.2: A 45 TYR OH : rot 30:sc= 0 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 140:sc= -0.501 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.13 X(o=-0.13,f=-0.035) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.126 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.36 X(o=-0.36,f=-0.023) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0.12) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot -175:sc= -0.785 USER MOD Single : A 28 GLN : amide:sc= -0.0863 X(o=-0.086,f=-0.042) USER MOD Single : A 29 ASN : amide:sc= -0.85 K(o=-0.85,f=-1.5) USER MOD Single : A 32 THR OG1 : rot 46:sc= 0.279 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.00112 USER MOD Single : A 38 TYR OH : rot -150:sc= 0.0864 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 165:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.0049) USER MOD Single : A 44 ASN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 62 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.108) USER MOD Single : A 63 SER OG : rot 113:sc= 0.349 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.493 K(o=-0.49,f=-7.7!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.0507 K(o=-0.051,f=-1.2) USER MOD Single : A 85 TYR OH : rot 30:sc= 0 USER MOD Single : A 90 THR OG1 : rot 117:sc= 0.027 USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.0072 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= 0.106 K(o=0.11,f=-4.5!) USER MOD Single : A 103 SER OG : rot -54:sc= 0.288 USER MOD Single : A 105 THR OG1 : rot 91:sc= 0.558 USER MOD Single : A 106 ASN : amide:sc= -0.0497 X(o=-0.05,f=-0.066) USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 2 5.942 11.451 -6.568 1.00 0.00 N ATOM 16 CA SER A 2 6.748 11.066 -5.417 1.00 0.00 C ATOM 17 C SER A 2 7.588 12.286 -5.036 1.00 0.00 C ATOM 18 O SER A 2 8.760 12.355 -5.402 1.00 0.00 O ATOM 19 CB SER A 2 7.631 9.853 -5.751 1.00 0.00 C ATOM 20 OG SER A 2 6.860 8.684 -5.922 1.00 0.00 O ATOM 0 HA SER A 2 6.118 10.765 -4.580 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.197 10.053 -6.661 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.356 9.698 -4.952 1.00 0.00 H new ATOM 0 HG SER A 2 7.450 7.931 -6.135 1.00 0.00 H new ATOM 26 N ALA A 3 6.986 13.244 -4.314 1.00 0.00 N ATOM 27 CA ALA A 3 7.609 14.494 -3.880 1.00 0.00 C ATOM 28 C ALA A 3 7.769 15.434 -5.073 1.00 0.00 C ATOM 29 O ALA A 3 7.727 15.002 -6.227 1.00 0.00 O ATOM 30 CB ALA A 3 8.944 14.285 -3.150 1.00 0.00 C ATOM 0 H ALA A 3 6.017 13.162 -4.008 1.00 0.00 H new ATOM 0 HA ALA A 3 6.943 14.950 -3.148 1.00 0.00 H new ATOM 0 HB1 ALA A 3 9.353 15.252 -2.855 1.00 0.00 H new ATOM 0 HB2 ALA A 3 8.781 13.674 -2.262 1.00 0.00 H new ATOM 0 HB3 ALA A 3 9.647 13.781 -3.814 1.00 0.00 H new ATOM 36 N THR A 4 7.948 16.731 -4.801 1.00 0.00 N ATOM 37 CA THR A 4 8.129 17.720 -5.850 1.00 0.00 C ATOM 38 C THR A 4 8.837 18.951 -5.298 1.00 0.00 C ATOM 39 O THR A 4 8.689 19.285 -4.126 1.00 0.00 O ATOM 40 CB THR A 4 6.781 18.056 -6.523 1.00 0.00 C ATOM 41 OG1 THR A 4 7.009 18.766 -7.714 1.00 0.00 O ATOM 42 CG2 THR A 4 5.859 18.932 -5.677 1.00 0.00 C ATOM 0 H THR A 4 7.970 17.114 -3.856 1.00 0.00 H new ATOM 0 HA THR A 4 8.769 17.306 -6.629 1.00 0.00 H new ATOM 0 HB THR A 4 6.298 17.092 -6.682 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.388 18.454 -8.405 1.00 0.00 H new ATOM 0 HG21 THR A 4 4.935 19.121 -6.223 1.00 0.00 H new ATOM 0 HG22 THR A 4 5.630 18.422 -4.741 1.00 0.00 H new ATOM 0 HG23 THR A 4 6.353 19.879 -5.462 1.00 0.00 H new ATOM 50 N THR A 5 9.621 19.609 -6.155 1.00 0.00 N ATOM 51 CA THR A 5 10.356 20.808 -5.841 1.00 0.00 C ATOM 52 C THR A 5 9.941 21.812 -6.914 1.00 0.00 C ATOM 53 O THR A 5 10.132 21.570 -8.105 1.00 0.00 O ATOM 54 CB THR A 5 11.854 20.464 -5.801 1.00 0.00 C ATOM 55 OG1 THR A 5 12.243 20.259 -4.458 1.00 0.00 O ATOM 56 CG2 THR A 5 12.724 21.551 -6.423 1.00 0.00 C ATOM 0 H THR A 5 9.757 19.300 -7.117 1.00 0.00 H new ATOM 0 HA THR A 5 10.146 21.243 -4.864 1.00 0.00 H new ATOM 0 HB THR A 5 12.001 19.559 -6.391 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.197 20.037 -4.424 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.772 21.255 -6.367 1.00 0.00 H new ATOM 0 HG22 THR A 5 12.441 21.690 -7.466 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.582 22.486 -5.881 1.00 0.00 H new ATOM 64 N CYS A 6 9.361 22.932 -6.472 1.00 0.00 N ATOM 65 CA CYS A 6 8.884 23.997 -7.332 1.00 0.00 C ATOM 66 C CYS A 6 9.757 25.223 -7.084 1.00 0.00 C ATOM 67 O CYS A 6 9.684 25.821 -6.011 1.00 0.00 O ATOM 68 CB CYS A 6 7.427 24.304 -7.001 1.00 0.00 C ATOM 69 SG CYS A 6 6.207 22.964 -7.113 1.00 0.00 S ATOM 0 H CYS A 6 9.211 23.119 -5.481 1.00 0.00 H new ATOM 0 HA CYS A 6 8.942 23.706 -8.381 1.00 0.00 H new ATOM 0 HB2 CYS A 6 7.395 24.697 -5.985 1.00 0.00 H new ATOM 0 HB3 CYS A 6 7.099 25.106 -7.663 1.00 0.00 H new ATOM 74 N GLY A 7 10.568 25.597 -8.081 1.00 0.00 N ATOM 75 CA GLY A 7 11.486 26.721 -8.001 1.00 0.00 C ATOM 76 C GLY A 7 12.552 26.447 -6.940 1.00 0.00 C ATOM 77 O GLY A 7 13.560 25.803 -7.223 1.00 0.00 O ATOM 0 H GLY A 7 10.599 25.113 -8.978 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.958 26.886 -8.969 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.940 27.631 -7.754 1.00 0.00 H new ATOM 81 N SER A 8 12.309 26.948 -5.723 1.00 0.00 N ATOM 82 CA SER A 8 13.160 26.804 -4.550 1.00 0.00 C ATOM 83 C SER A 8 12.399 26.059 -3.448 1.00 0.00 C ATOM 84 O SER A 8 12.978 25.226 -2.753 1.00 0.00 O ATOM 85 CB SER A 8 13.612 28.189 -4.079 1.00 0.00 C ATOM 86 OG SER A 8 12.498 29.012 -3.800 1.00 0.00 O ATOM 0 H SER A 8 11.469 27.492 -5.526 1.00 0.00 H new ATOM 0 HA SER A 8 14.046 26.221 -4.800 1.00 0.00 H new ATOM 0 HB2 SER A 8 14.230 28.091 -3.186 1.00 0.00 H new ATOM 0 HB3 SER A 8 14.231 28.655 -4.846 1.00 0.00 H new ATOM 0 HG SER A 8 12.808 29.892 -3.499 1.00 0.00 H new ATOM 92 N THR A 9 11.100 26.359 -3.299 1.00 0.00 N ATOM 93 CA THR A 9 10.214 25.766 -2.308 1.00 0.00 C ATOM 94 C THR A 9 10.118 24.254 -2.539 1.00 0.00 C ATOM 95 O THR A 9 9.810 23.815 -3.646 1.00 0.00 O ATOM 96 CB THR A 9 8.834 26.444 -2.391 1.00 0.00 C ATOM 97 OG1 THR A 9 8.983 27.847 -2.320 1.00 0.00 O ATOM 98 CG2 THR A 9 7.903 26.014 -1.252 1.00 0.00 C ATOM 0 H THR A 9 10.630 27.045 -3.889 1.00 0.00 H new ATOM 0 HA THR A 9 10.611 25.923 -1.305 1.00 0.00 H new ATOM 0 HB THR A 9 8.393 26.139 -3.340 1.00 0.00 H new ATOM 0 HG1 THR A 9 8.102 28.273 -2.375 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.943 26.520 -1.356 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.751 24.935 -1.294 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.352 26.280 -0.295 1.00 0.00 H new ATOM 106 N ASN A 10 10.395 23.471 -1.488 1.00 0.00 N ATOM 107 CA ASN A 10 10.370 22.014 -1.513 1.00 0.00 C ATOM 108 C ASN A 10 9.053 21.496 -0.932 1.00 0.00 C ATOM 109 O ASN A 10 8.419 22.172 -0.122 1.00 0.00 O ATOM 110 CB ASN A 10 11.578 21.447 -0.755 1.00 0.00 C ATOM 111 CG ASN A 10 11.547 21.778 0.737 1.00 0.00 C ATOM 112 OD1 ASN A 10 11.007 21.013 1.533 1.00 0.00 O ATOM 113 ND2 ASN A 10 12.134 22.915 1.120 1.00 0.00 N ATOM 0 H ASN A 10 10.649 23.850 -0.576 1.00 0.00 H new ATOM 0 HA ASN A 10 10.436 21.675 -2.547 1.00 0.00 H new ATOM 0 HB2 ASN A 10 11.606 20.365 -0.882 1.00 0.00 H new ATOM 0 HB3 ASN A 10 12.495 21.843 -1.192 1.00 0.00 H new ATOM 0 HD21 ASN A 10 12.145 23.176 2.106 1.00 0.00 H new ATOM 0 HD22 ASN A 10 12.571 23.522 0.427 1.00 0.00 H new ATOM 120 N TYR A 11 8.645 20.295 -1.364 1.00 0.00 N ATOM 121 CA TYR A 11 7.421 19.631 -0.934 1.00 0.00 C ATOM 122 C TYR A 11 7.695 18.132 -0.824 1.00 0.00 C ATOM 123 O TYR A 11 8.078 17.494 -1.805 1.00 0.00 O ATOM 124 CB TYR A 11 6.273 19.898 -1.923 1.00 0.00 C ATOM 125 CG TYR A 11 5.984 21.362 -2.196 1.00 0.00 C ATOM 126 CD1 TYR A 11 6.812 22.092 -3.069 1.00 0.00 C ATOM 127 CD2 TYR A 11 4.883 21.995 -1.589 1.00 0.00 C ATOM 128 CE1 TYR A 11 6.560 23.450 -3.310 1.00 0.00 C ATOM 129 CE2 TYR A 11 4.621 23.351 -1.849 1.00 0.00 C ATOM 130 CZ TYR A 11 5.467 24.083 -2.698 1.00 0.00 C ATOM 131 OH TYR A 11 5.217 25.402 -2.940 1.00 0.00 O ATOM 0 H TYR A 11 9.177 19.749 -2.041 1.00 0.00 H new ATOM 0 HA TYR A 11 7.115 20.025 0.035 1.00 0.00 H new ATOM 0 HB2 TYR A 11 6.507 19.408 -2.868 1.00 0.00 H new ATOM 0 HB3 TYR A 11 5.367 19.431 -1.538 1.00 0.00 H new ATOM 0 HD1 TYR A 11 7.644 21.605 -3.555 1.00 0.00 H new ATOM 0 HD2 TYR A 11 4.240 21.439 -0.923 1.00 0.00 H new ATOM 0 HE1 TYR A 11 7.208 24.010 -3.968 1.00 0.00 H new ATOM 0 HE2 TYR A 11 3.767 23.831 -1.395 1.00 0.00 H new ATOM 0 HH TYR A 11 4.423 25.682 -2.438 1.00 0.00 H new ATOM 141 N SER A 12 7.490 17.577 0.375 1.00 0.00 N ATOM 142 CA SER A 12 7.678 16.169 0.687 1.00 0.00 C ATOM 143 C SER A 12 6.651 15.323 -0.040 1.00 0.00 C ATOM 144 O SER A 12 5.576 15.809 -0.381 1.00 0.00 O ATOM 145 CB SER A 12 7.534 15.990 2.203 1.00 0.00 C ATOM 146 OG SER A 12 7.732 14.641 2.573 1.00 0.00 O ATOM 0 H SER A 12 7.177 18.121 1.179 1.00 0.00 H new ATOM 0 HA SER A 12 8.668 15.847 0.363 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.257 16.622 2.718 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.543 16.316 2.519 1.00 0.00 H new ATOM 0 HG SER A 12 7.637 14.551 3.544 1.00 0.00 H new ATOM 152 N ALA A 13 6.996 14.051 -0.288 1.00 0.00 N ATOM 153 CA ALA A 13 6.072 13.114 -0.904 1.00 0.00 C ATOM 154 C ALA A 13 4.860 13.025 0.029 1.00 0.00 C ATOM 155 O ALA A 13 3.772 12.659 -0.407 1.00 0.00 O ATOM 156 CB ALA A 13 6.732 11.742 -1.067 1.00 0.00 C ATOM 0 H ALA A 13 7.911 13.657 -0.068 1.00 0.00 H new ATOM 0 HA ALA A 13 5.776 13.446 -1.899 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.027 11.052 -1.530 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.615 11.836 -1.699 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.024 11.360 -0.089 1.00 0.00 H new ATOM 162 N SER A 14 5.063 13.382 1.311 1.00 0.00 N ATOM 163 CA SER A 14 4.033 13.387 2.331 1.00 0.00 C ATOM 164 C SER A 14 3.078 14.557 2.077 1.00 0.00 C ATOM 165 O SER A 14 1.873 14.401 2.240 1.00 0.00 O ATOM 166 CB SER A 14 4.679 13.499 3.715 1.00 0.00 C ATOM 167 OG SER A 14 3.685 13.421 4.713 1.00 0.00 O ATOM 0 H SER A 14 5.974 13.680 1.660 1.00 0.00 H new ATOM 0 HA SER A 14 3.466 12.457 2.293 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.408 12.701 3.852 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.219 14.442 3.799 1.00 0.00 H new ATOM 0 HG SER A 14 4.103 13.492 5.597 1.00 0.00 H new ATOM 173 N GLN A 15 3.602 15.725 1.675 1.00 0.00 N ATOM 174 CA GLN A 15 2.803 16.912 1.414 1.00 0.00 C ATOM 175 C GLN A 15 2.006 16.796 0.109 1.00 0.00 C ATOM 176 O GLN A 15 0.827 17.141 0.082 1.00 0.00 O ATOM 177 CB GLN A 15 3.706 18.153 1.446 1.00 0.00 C ATOM 178 CG GLN A 15 2.925 19.468 1.328 1.00 0.00 C ATOM 179 CD GLN A 15 2.082 19.781 2.563 1.00 0.00 C ATOM 180 OE1 GLN A 15 2.550 20.446 3.486 1.00 0.00 O ATOM 181 NE2 GLN A 15 0.831 19.311 2.582 1.00 0.00 N ATOM 0 H GLN A 15 4.601 15.864 1.523 1.00 0.00 H new ATOM 0 HA GLN A 15 2.056 17.013 2.201 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.275 18.157 2.376 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.427 18.091 0.631 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.626 20.285 1.158 1.00 0.00 H new ATOM 0 HG3 GLN A 15 2.274 19.419 0.455 1.00 0.00 H new ATOM 0 HE21 GLN A 15 0.480 18.763 1.796 1.00 0.00 H new ATOM 0 HE22 GLN A 15 0.227 19.500 3.382 1.00 0.00 H new ATOM 190 N VAL A 16 2.651 16.304 -0.956 1.00 0.00 N ATOM 191 CA VAL A 16 2.062 16.117 -2.279 1.00 0.00 C ATOM 192 C VAL A 16 0.863 15.174 -2.164 1.00 0.00 C ATOM 193 O VAL A 16 -0.229 15.492 -2.629 1.00 0.00 O ATOM 194 CB VAL A 16 3.087 15.531 -3.270 1.00 0.00 C ATOM 195 CG1 VAL A 16 2.454 15.272 -4.642 1.00 0.00 C ATOM 196 CG2 VAL A 16 4.248 16.509 -3.471 1.00 0.00 C ATOM 0 H VAL A 16 3.629 16.017 -0.915 1.00 0.00 H new ATOM 0 HA VAL A 16 1.744 17.088 -2.657 1.00 0.00 H new ATOM 0 HB VAL A 16 3.441 14.591 -2.846 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.204 14.859 -5.317 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.632 14.564 -4.536 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.075 16.209 -5.051 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.965 16.083 -4.173 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.867 17.450 -3.868 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.740 16.691 -2.516 1.00 0.00 H new ATOM 206 N ARG A 17 1.085 14.013 -1.528 1.00 0.00 N ATOM 207 CA ARG A 17 0.073 12.977 -1.347 1.00 0.00 C ATOM 208 C ARG A 17 -1.039 13.395 -0.400 1.00 0.00 C ATOM 209 O ARG A 17 -2.203 13.099 -0.652 1.00 0.00 O ATOM 210 CB ARG A 17 0.715 11.668 -0.882 1.00 0.00 C ATOM 211 CG ARG A 17 0.941 11.491 0.626 1.00 0.00 C ATOM 212 CD ARG A 17 1.754 10.226 0.928 1.00 0.00 C ATOM 213 NE ARG A 17 1.125 9.014 0.386 1.00 0.00 N ATOM 214 CZ ARG A 17 0.084 8.359 0.927 1.00 0.00 C ATOM 215 NH1 ARG A 17 -0.485 8.775 2.069 1.00 0.00 N ATOM 216 NH2 ARG A 17 -0.393 7.266 0.315 1.00 0.00 N ATOM 0 H ARG A 17 1.988 13.770 -1.121 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.389 12.820 -2.322 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.091 10.844 -1.228 1.00 0.00 H new ATOM 0 HB3 ARG A 17 1.679 11.569 -1.381 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.462 12.363 1.022 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.021 11.437 1.135 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.755 10.332 0.509 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.870 10.121 2.007 1.00 0.00 H new ATOM 0 HE ARG A 17 1.513 8.636 -0.478 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -0.128 9.604 2.544 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -1.274 8.262 2.462 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.034 6.940 -0.552 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -1.183 6.761 0.716 1.00 0.00 H new ATOM 230 N ALA A 18 -0.664 14.067 0.691 1.00 0.00 N ATOM 231 CA ALA A 18 -1.612 14.549 1.695 1.00 0.00 C ATOM 232 C ALA A 18 -2.589 15.523 1.044 1.00 0.00 C ATOM 233 O ALA A 18 -3.802 15.415 1.234 1.00 0.00 O ATOM 234 CB ALA A 18 -0.898 15.201 2.881 1.00 0.00 C ATOM 0 H ALA A 18 0.308 14.292 0.902 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.163 13.695 2.088 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.636 15.546 3.605 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.239 14.473 3.354 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.310 16.049 2.530 1.00 0.00 H new ATOM 240 N ALA A 19 -2.042 16.464 0.266 1.00 0.00 N ATOM 241 CA ALA A 19 -2.829 17.451 -0.451 1.00 0.00 C ATOM 242 C ALA A 19 -3.811 16.739 -1.374 1.00 0.00 C ATOM 243 O ALA A 19 -4.956 17.168 -1.500 1.00 0.00 O ATOM 244 CB ALA A 19 -1.921 18.383 -1.247 1.00 0.00 C ATOM 0 H ALA A 19 -1.036 16.555 0.121 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.386 18.056 0.264 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.528 19.116 -1.778 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.242 18.898 -0.567 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.343 17.802 -1.965 1.00 0.00 H new ATOM 250 N ALA A 20 -3.358 15.649 -2.010 1.00 0.00 N ATOM 251 CA ALA A 20 -4.188 14.863 -2.902 1.00 0.00 C ATOM 252 C ALA A 20 -5.218 13.995 -2.200 1.00 0.00 C ATOM 253 O ALA A 20 -6.268 13.748 -2.782 1.00 0.00 O ATOM 254 CB ALA A 20 -3.327 14.074 -3.890 1.00 0.00 C ATOM 0 H ALA A 20 -2.406 15.297 -1.913 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.787 15.577 -3.467 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.971 13.492 -4.549 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.729 14.765 -4.484 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.667 13.402 -3.341 1.00 0.00 H new ATOM 260 N ASN A 21 -4.947 13.521 -0.983 1.00 0.00 N ATOM 261 CA ASN A 21 -5.914 12.732 -0.238 1.00 0.00 C ATOM 262 C ASN A 21 -7.061 13.666 0.181 1.00 0.00 C ATOM 263 O ASN A 21 -8.198 13.223 0.372 1.00 0.00 O ATOM 264 CB ASN A 21 -5.229 12.101 0.981 1.00 0.00 C ATOM 265 CG ASN A 21 -6.194 11.240 1.795 1.00 0.00 C ATOM 266 OD1 ASN A 21 -6.603 11.625 2.889 1.00 0.00 O ATOM 267 ND2 ASN A 21 -6.558 10.071 1.261 1.00 0.00 N ATOM 0 H ASN A 21 -4.063 13.673 -0.497 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.315 11.921 -0.846 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.389 11.491 0.650 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.821 12.888 1.616 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -7.200 9.458 1.764 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.194 9.791 0.350 1.00 0.00 H new ATOM 274 N ALA A 22 -6.756 14.973 0.294 1.00 0.00 N ATOM 275 CA ALA A 22 -7.736 15.962 0.717 1.00 0.00 C ATOM 276 C ALA A 22 -8.592 16.187 -0.515 1.00 0.00 C ATOM 277 O ALA A 22 -9.796 15.949 -0.485 1.00 0.00 O ATOM 278 CB ALA A 22 -7.045 17.230 1.216 1.00 0.00 C ATOM 0 H ALA A 22 -5.833 15.358 0.095 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.346 15.638 1.560 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.797 17.956 1.527 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.404 16.986 2.063 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.441 17.655 0.414 1.00 0.00 H new ATOM 284 N ALA A 23 -7.934 16.660 -1.580 1.00 0.00 N ATOM 285 CA ALA A 23 -8.538 16.883 -2.889 1.00 0.00 C ATOM 286 C ALA A 23 -9.448 15.709 -3.302 1.00 0.00 C ATOM 287 O ALA A 23 -10.545 15.930 -3.808 1.00 0.00 O ATOM 288 CB ALA A 23 -7.422 17.027 -3.927 1.00 0.00 C ATOM 0 H ALA A 23 -6.944 16.902 -1.550 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.146 17.786 -2.836 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.860 17.194 -4.911 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.787 17.873 -3.664 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.823 16.116 -3.946 1.00 0.00 H new ATOM 294 N CYS A 24 -8.984 14.468 -3.083 1.00 0.00 N ATOM 295 CA CYS A 24 -9.678 13.219 -3.381 1.00 0.00 C ATOM 296 C CYS A 24 -11.046 13.162 -2.712 1.00 0.00 C ATOM 297 O CYS A 24 -12.070 13.128 -3.393 1.00 0.00 O ATOM 298 CB CYS A 24 -8.869 12.021 -2.846 1.00 0.00 C ATOM 299 SG CYS A 24 -7.681 11.213 -3.941 1.00 0.00 S ATOM 0 H CYS A 24 -8.065 14.308 -2.671 1.00 0.00 H new ATOM 0 HA CYS A 24 -9.790 13.174 -4.464 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -8.327 12.357 -1.962 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -9.580 11.264 -2.515 1.00 0.00 H new ATOM 304 N GLN A 25 -11.048 13.161 -1.372 1.00 0.00 N ATOM 305 CA GLN A 25 -12.270 13.051 -0.590 1.00 0.00 C ATOM 306 C GLN A 25 -13.219 14.246 -0.712 1.00 0.00 C ATOM 307 O GLN A 25 -14.434 14.059 -0.730 1.00 0.00 O ATOM 308 CB GLN A 25 -11.884 12.804 0.875 1.00 0.00 C ATOM 309 CG GLN A 25 -13.107 12.501 1.749 1.00 0.00 C ATOM 310 CD GLN A 25 -12.689 12.078 3.154 1.00 0.00 C ATOM 311 OE1 GLN A 25 -12.626 12.905 4.062 1.00 0.00 O ATOM 312 NE2 GLN A 25 -12.405 10.785 3.335 1.00 0.00 N ATOM 0 H GLN A 25 -10.201 13.237 -0.808 1.00 0.00 H new ATOM 0 HA GLN A 25 -12.838 12.214 -0.996 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.184 11.970 0.930 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -11.367 13.680 1.266 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -13.744 13.384 1.806 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -13.699 11.710 1.289 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.471 10.134 2.553 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -12.122 10.449 4.256 1.00 0.00 H new ATOM 321 N TYR A 26 -12.670 15.460 -0.811 1.00 0.00 N ATOM 322 CA TYR A 26 -13.443 16.696 -0.870 1.00 0.00 C ATOM 323 C TYR A 26 -13.894 17.198 -2.249 1.00 0.00 C ATOM 324 O TYR A 26 -14.870 17.945 -2.293 1.00 0.00 O ATOM 325 CB TYR A 26 -12.652 17.782 -0.127 1.00 0.00 C ATOM 326 CG TYR A 26 -12.169 17.416 1.272 1.00 0.00 C ATOM 327 CD1 TYR A 26 -12.970 16.647 2.141 1.00 0.00 C ATOM 328 CD2 TYR A 26 -10.904 17.854 1.709 1.00 0.00 C ATOM 329 CE1 TYR A 26 -12.504 16.305 3.422 1.00 0.00 C ATOM 330 CE2 TYR A 26 -10.440 17.514 2.992 1.00 0.00 C ATOM 331 CZ TYR A 26 -11.236 16.734 3.848 1.00 0.00 C ATOM 332 OH TYR A 26 -10.785 16.403 5.092 1.00 0.00 O ATOM 0 H TYR A 26 -11.662 15.610 -0.853 1.00 0.00 H new ATOM 0 HA TYR A 26 -14.395 16.459 -0.396 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -11.785 18.050 -0.731 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -13.276 18.672 -0.053 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -13.948 16.319 1.820 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -10.288 18.454 1.056 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -13.122 15.712 4.080 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -9.469 17.853 3.321 1.00 0.00 H new ATOM 0 HH TYR A 26 -9.890 16.778 5.226 1.00 0.00 H new ATOM 342 N TYR A 27 -13.248 16.817 -3.365 1.00 0.00 N ATOM 343 CA TYR A 27 -13.644 17.316 -4.689 1.00 0.00 C ATOM 344 C TYR A 27 -14.643 16.435 -5.438 1.00 0.00 C ATOM 345 O TYR A 27 -14.818 16.584 -6.647 1.00 0.00 O ATOM 346 CB TYR A 27 -12.436 17.806 -5.506 1.00 0.00 C ATOM 347 CG TYR A 27 -11.735 16.954 -6.555 1.00 0.00 C ATOM 348 CD1 TYR A 27 -11.923 15.560 -6.685 1.00 0.00 C ATOM 349 CD2 TYR A 27 -10.853 17.620 -7.432 1.00 0.00 C ATOM 350 CE1 TYR A 27 -11.249 14.850 -7.697 1.00 0.00 C ATOM 351 CE2 TYR A 27 -10.167 16.901 -8.419 1.00 0.00 C ATOM 352 CZ TYR A 27 -10.373 15.528 -8.558 1.00 0.00 C ATOM 353 OH TYR A 27 -9.701 14.870 -9.536 1.00 0.00 O ATOM 0 H TYR A 27 -12.458 16.172 -3.375 1.00 0.00 H new ATOM 0 HA TYR A 27 -14.243 18.209 -4.510 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -12.756 18.716 -6.013 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -11.673 18.095 -4.784 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -12.584 15.039 -6.008 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -10.707 18.686 -7.342 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -11.406 13.787 -7.810 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -9.476 17.411 -9.074 1.00 0.00 H new ATOM 0 HH TYR A 27 -9.083 15.487 -9.980 1.00 0.00 H new ATOM 363 N GLN A 28 -15.301 15.529 -4.707 1.00 0.00 N ATOM 364 CA GLN A 28 -16.305 14.616 -5.232 1.00 0.00 C ATOM 365 C GLN A 28 -17.417 15.395 -5.935 1.00 0.00 C ATOM 366 O GLN A 28 -17.914 14.966 -6.975 1.00 0.00 O ATOM 367 CB GLN A 28 -16.874 13.758 -4.086 1.00 0.00 C ATOM 368 CG GLN A 28 -16.602 12.269 -4.311 1.00 0.00 C ATOM 369 CD GLN A 28 -17.380 11.723 -5.508 1.00 0.00 C ATOM 370 OE1 GLN A 28 -18.575 11.457 -5.403 1.00 0.00 O ATOM 371 NE2 GLN A 28 -16.703 11.547 -6.647 1.00 0.00 N ATOM 0 H GLN A 28 -15.141 15.413 -3.706 1.00 0.00 H new ATOM 0 HA GLN A 28 -15.842 13.956 -5.966 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -16.430 14.071 -3.141 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -17.948 13.924 -4.004 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -15.535 12.115 -4.470 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -16.874 11.711 -3.415 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -15.711 11.781 -6.692 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -17.178 11.179 -7.471 1.00 0.00 H new ATOM 380 N ASN A 29 -17.790 16.541 -5.354 1.00 0.00 N ATOM 381 CA ASN A 29 -18.809 17.437 -5.873 1.00 0.00 C ATOM 382 C ASN A 29 -18.414 18.880 -5.552 1.00 0.00 C ATOM 383 O ASN A 29 -18.090 19.633 -6.469 1.00 0.00 O ATOM 384 CB ASN A 29 -20.214 17.032 -5.389 1.00 0.00 C ATOM 385 CG ASN A 29 -20.342 16.891 -3.870 1.00 0.00 C ATOM 386 OD1 ASN A 29 -19.845 15.929 -3.289 1.00 0.00 O ATOM 387 ND2 ASN A 29 -21.019 17.846 -3.226 1.00 0.00 N ATOM 0 H ASN A 29 -17.374 16.873 -4.484 1.00 0.00 H new ATOM 0 HA ASN A 29 -18.867 17.359 -6.959 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -20.933 17.775 -5.735 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -20.486 16.085 -5.854 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -21.139 17.793 -2.214 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -21.416 18.629 -3.746 1.00 0.00 H new ATOM 394 N ASP A 30 -18.424 19.257 -4.265 1.00 0.00 N ATOM 395 CA ASP A 30 -18.080 20.582 -3.769 1.00 0.00 C ATOM 396 C ASP A 30 -18.162 20.554 -2.244 1.00 0.00 C ATOM 397 O ASP A 30 -19.225 20.789 -1.670 1.00 0.00 O ATOM 398 CB ASP A 30 -19.008 21.663 -4.344 1.00 0.00 C ATOM 399 CG ASP A 30 -18.629 23.055 -3.844 1.00 0.00 C ATOM 400 OD1 ASP A 30 -17.525 23.510 -4.214 1.00 0.00 O ATOM 401 OD2 ASP A 30 -19.446 23.640 -3.100 1.00 0.00 O ATOM 0 H ASP A 30 -18.684 18.615 -3.517 1.00 0.00 H new ATOM 0 HA ASP A 30 -17.070 20.836 -4.089 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -18.961 21.642 -5.433 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -20.039 21.444 -4.065 1.00 0.00 H new ATOM 406 N ASP A 31 -17.028 20.257 -1.600 1.00 0.00 N ATOM 407 CA ASP A 31 -16.889 20.190 -0.150 1.00 0.00 C ATOM 408 C ASP A 31 -15.857 21.219 0.323 1.00 0.00 C ATOM 409 O ASP A 31 -15.423 22.069 -0.454 1.00 0.00 O ATOM 410 CB ASP A 31 -16.551 18.745 0.253 1.00 0.00 C ATOM 411 CG ASP A 31 -16.889 18.425 1.708 1.00 0.00 C ATOM 412 OD1 ASP A 31 -18.096 18.271 1.994 1.00 0.00 O ATOM 413 OD2 ASP A 31 -15.933 18.343 2.511 1.00 0.00 O ATOM 0 H ASP A 31 -16.159 20.051 -2.092 1.00 0.00 H new ATOM 0 HA ASP A 31 -17.824 20.450 0.346 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -17.093 18.058 -0.397 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -15.488 18.569 0.088 1.00 0.00 H new ATOM 418 N THR A 32 -15.476 21.145 1.605 1.00 0.00 N ATOM 419 CA THR A 32 -14.528 22.035 2.250 1.00 0.00 C ATOM 420 C THR A 32 -13.104 21.786 1.748 1.00 0.00 C ATOM 421 O THR A 32 -12.332 21.051 2.362 1.00 0.00 O ATOM 422 CB THR A 32 -14.650 21.883 3.775 1.00 0.00 C ATOM 423 OG1 THR A 32 -14.479 20.533 4.161 1.00 0.00 O ATOM 424 CG2 THR A 32 -16.022 22.373 4.252 1.00 0.00 C ATOM 0 H THR A 32 -15.839 20.432 2.238 1.00 0.00 H new ATOM 0 HA THR A 32 -14.762 23.068 1.991 1.00 0.00 H new ATOM 0 HB THR A 32 -13.867 22.487 4.234 1.00 0.00 H new ATOM 0 HG1 THR A 32 -13.700 20.157 3.700 1.00 0.00 H new ATOM 0 HG21 THR A 32 -16.093 22.259 5.334 1.00 0.00 H new ATOM 0 HG22 THR A 32 -16.145 23.424 3.989 1.00 0.00 H new ATOM 0 HG23 THR A 32 -16.805 21.785 3.773 1.00 0.00 H new ATOM 432 N ALA A 33 -12.774 22.407 0.609 1.00 0.00 N ATOM 433 CA ALA A 33 -11.467 22.320 -0.022 1.00 0.00 C ATOM 434 C ALA A 33 -11.181 23.570 -0.850 1.00 0.00 C ATOM 435 O ALA A 33 -12.104 24.273 -1.262 1.00 0.00 O ATOM 436 CB ALA A 33 -11.407 21.075 -0.905 1.00 0.00 C ATOM 0 H ALA A 33 -13.429 22.996 0.095 1.00 0.00 H new ATOM 0 HA ALA A 33 -10.706 22.248 0.755 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -10.427 21.011 -1.377 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -11.574 20.188 -0.295 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -12.177 21.137 -1.674 1.00 0.00 H new ATOM 442 N GLY A 34 -9.889 23.839 -1.076 1.00 0.00 N ATOM 443 CA GLY A 34 -9.408 24.965 -1.858 1.00 0.00 C ATOM 444 C GLY A 34 -9.885 26.307 -1.303 1.00 0.00 C ATOM 445 O GLY A 34 -9.957 26.491 -0.088 1.00 0.00 O ATOM 0 H GLY A 34 -9.136 23.259 -0.706 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.318 24.950 -1.879 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.748 24.860 -2.888 1.00 0.00 H new ATOM 449 N SER A 35 -10.221 27.233 -2.209 1.00 0.00 N ATOM 450 CA SER A 35 -10.682 28.575 -1.888 1.00 0.00 C ATOM 451 C SER A 35 -12.208 28.586 -1.759 1.00 0.00 C ATOM 452 O SER A 35 -12.732 28.664 -0.649 1.00 0.00 O ATOM 453 CB SER A 35 -10.166 29.552 -2.952 1.00 0.00 C ATOM 454 OG SER A 35 -10.512 30.876 -2.610 1.00 0.00 O ATOM 0 H SER A 35 -10.176 27.057 -3.213 1.00 0.00 H new ATOM 0 HA SER A 35 -10.284 28.898 -0.926 1.00 0.00 H new ATOM 0 HB2 SER A 35 -9.083 29.464 -3.042 1.00 0.00 H new ATOM 0 HB3 SER A 35 -10.589 29.298 -3.924 1.00 0.00 H new ATOM 0 HG SER A 35 -10.175 31.490 -3.296 1.00 0.00 H new ATOM 460 N SER A 36 -12.913 28.511 -2.897 1.00 0.00 N ATOM 461 CA SER A 36 -14.367 28.498 -2.981 1.00 0.00 C ATOM 462 C SER A 36 -14.768 27.726 -4.234 1.00 0.00 C ATOM 463 O SER A 36 -15.513 26.751 -4.147 1.00 0.00 O ATOM 464 CB SER A 36 -14.918 29.928 -2.987 1.00 0.00 C ATOM 465 OG SER A 36 -16.328 29.899 -3.033 1.00 0.00 O ATOM 0 H SER A 36 -12.464 28.456 -3.811 1.00 0.00 H new ATOM 0 HA SER A 36 -14.794 28.003 -2.109 1.00 0.00 H new ATOM 0 HB2 SER A 36 -14.585 30.459 -2.095 1.00 0.00 H new ATOM 0 HB3 SER A 36 -14.529 30.474 -3.847 1.00 0.00 H new ATOM 0 HG SER A 36 -16.674 30.816 -3.035 1.00 0.00 H new ATOM 471 N THR A 37 -14.259 28.158 -5.397 1.00 0.00 N ATOM 472 CA THR A 37 -14.516 27.515 -6.678 1.00 0.00 C ATOM 473 C THR A 37 -13.581 26.306 -6.709 1.00 0.00 C ATOM 474 O THR A 37 -14.041 25.186 -6.916 1.00 0.00 O ATOM 475 CB THR A 37 -14.289 28.497 -7.838 1.00 0.00 C ATOM 476 OG1 THR A 37 -13.015 29.100 -7.754 1.00 0.00 O ATOM 477 CG2 THR A 37 -15.361 29.591 -7.827 1.00 0.00 C ATOM 0 H THR A 37 -13.651 28.974 -5.467 1.00 0.00 H new ATOM 0 HA THR A 37 -15.551 27.194 -6.794 1.00 0.00 H new ATOM 0 HB THR A 37 -14.351 27.929 -8.766 1.00 0.00 H new ATOM 0 HG1 THR A 37 -12.896 29.719 -8.505 1.00 0.00 H new ATOM 0 HG21 THR A 37 -15.187 30.279 -8.654 1.00 0.00 H new ATOM 0 HG22 THR A 37 -16.346 29.136 -7.934 1.00 0.00 H new ATOM 0 HG23 THR A 37 -15.314 30.137 -6.885 1.00 0.00 H new ATOM 485 N TYR A 38 -12.278 26.547 -6.489 1.00 0.00 N ATOM 486 CA TYR A 38 -11.247 25.522 -6.418 1.00 0.00 C ATOM 487 C TYR A 38 -11.671 24.604 -5.264 1.00 0.00 C ATOM 488 O TYR A 38 -12.053 25.110 -4.208 1.00 0.00 O ATOM 489 CB TYR A 38 -9.899 26.170 -6.068 1.00 0.00 C ATOM 490 CG TYR A 38 -9.195 26.892 -7.203 1.00 0.00 C ATOM 491 CD1 TYR A 38 -9.628 28.164 -7.619 1.00 0.00 C ATOM 492 CD2 TYR A 38 -8.093 26.294 -7.839 1.00 0.00 C ATOM 493 CE1 TYR A 38 -8.964 28.833 -8.663 1.00 0.00 C ATOM 494 CE2 TYR A 38 -7.429 26.961 -8.881 1.00 0.00 C ATOM 495 CZ TYR A 38 -7.864 28.228 -9.297 1.00 0.00 C ATOM 496 OH TYR A 38 -7.223 28.866 -10.318 1.00 0.00 O ATOM 0 H TYR A 38 -11.912 27.489 -6.353 1.00 0.00 H new ATOM 0 HA TYR A 38 -11.138 24.987 -7.362 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -10.059 26.879 -5.256 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -9.233 25.395 -5.688 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -10.474 28.629 -7.135 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -7.756 25.317 -7.525 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -9.299 29.811 -8.978 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.581 26.497 -9.363 1.00 0.00 H new ATOM 0 HH TYR A 38 -6.843 28.203 -10.931 1.00 0.00 H new ATOM 506 N PRO A 39 -11.605 23.277 -5.429 1.00 0.00 N ATOM 507 CA PRO A 39 -11.122 22.564 -6.601 1.00 0.00 C ATOM 508 C PRO A 39 -12.089 22.665 -7.790 1.00 0.00 C ATOM 509 O PRO A 39 -13.286 22.433 -7.625 1.00 0.00 O ATOM 510 CB PRO A 39 -10.967 21.108 -6.138 1.00 0.00 C ATOM 511 CG PRO A 39 -11.043 21.171 -4.612 1.00 0.00 C ATOM 512 CD PRO A 39 -11.998 22.334 -4.404 1.00 0.00 C ATOM 0 HA PRO A 39 -10.186 22.990 -6.963 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -11.756 20.477 -6.547 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -10.018 20.687 -6.469 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -11.424 20.245 -4.182 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -10.068 21.355 -4.160 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -13.037 22.026 -4.518 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -11.900 22.761 -3.406 1.00 0.00 H new ATOM 520 N HIS A 40 -11.572 23.012 -8.980 1.00 0.00 N ATOM 521 CA HIS A 40 -12.372 23.160 -10.194 1.00 0.00 C ATOM 522 C HIS A 40 -11.552 22.854 -11.448 1.00 0.00 C ATOM 523 O HIS A 40 -10.326 22.957 -11.435 1.00 0.00 O ATOM 524 CB HIS A 40 -13.003 24.557 -10.276 1.00 0.00 C ATOM 525 CG HIS A 40 -12.060 25.655 -10.698 1.00 0.00 C ATOM 526 ND1 HIS A 40 -12.440 26.635 -11.600 1.00 0.00 N ATOM 527 CD2 HIS A 40 -10.759 25.948 -10.368 1.00 0.00 C ATOM 528 CE1 HIS A 40 -11.389 27.454 -11.762 1.00 0.00 C ATOM 529 NE2 HIS A 40 -10.325 27.081 -11.050 1.00 0.00 N ATOM 0 H HIS A 40 -10.579 23.198 -9.121 1.00 0.00 H new ATOM 0 HA HIS A 40 -13.179 22.429 -10.143 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -13.836 24.523 -10.979 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -13.419 24.810 -9.301 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -10.157 25.378 -9.676 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -11.404 28.324 -12.402 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -9.407 27.523 -11.014 1.00 0.00 H new ATOM 537 N THR A 41 -12.265 22.486 -12.521 1.00 0.00 N ATOM 538 CA THR A 41 -11.766 22.112 -13.840 1.00 0.00 C ATOM 539 C THR A 41 -10.517 22.863 -14.297 1.00 0.00 C ATOM 540 O THR A 41 -10.411 24.077 -14.133 1.00 0.00 O ATOM 541 CB THR A 41 -12.883 22.259 -14.881 1.00 0.00 C ATOM 542 OG1 THR A 41 -13.534 23.504 -14.734 1.00 0.00 O ATOM 543 CG2 THR A 41 -13.888 21.114 -14.754 1.00 0.00 C ATOM 0 H THR A 41 -13.283 22.440 -12.480 1.00 0.00 H new ATOM 0 HA THR A 41 -11.455 21.071 -13.749 1.00 0.00 H new ATOM 0 HB THR A 41 -12.436 22.217 -15.874 1.00 0.00 H new ATOM 0 HG1 THR A 41 -14.243 23.584 -15.406 1.00 0.00 H new ATOM 0 HG21 THR A 41 -14.673 21.235 -15.500 1.00 0.00 H new ATOM 0 HG22 THR A 41 -13.379 20.164 -14.914 1.00 0.00 H new ATOM 0 HG23 THR A 41 -14.330 21.126 -13.757 1.00 0.00 H new ATOM 551 N TYR A 42 -9.590 22.098 -14.886 1.00 0.00 N ATOM 552 CA TYR A 42 -8.329 22.578 -15.420 1.00 0.00 C ATOM 553 C TYR A 42 -8.111 21.934 -16.782 1.00 0.00 C ATOM 554 O TYR A 42 -7.497 20.876 -16.898 1.00 0.00 O ATOM 555 CB TYR A 42 -7.195 22.273 -14.443 1.00 0.00 C ATOM 556 CG TYR A 42 -5.856 22.851 -14.867 1.00 0.00 C ATOM 557 CD1 TYR A 42 -5.682 24.245 -14.951 1.00 0.00 C ATOM 558 CD2 TYR A 42 -4.783 21.999 -15.190 1.00 0.00 C ATOM 559 CE1 TYR A 42 -4.448 24.783 -15.352 1.00 0.00 C ATOM 560 CE2 TYR A 42 -3.548 22.535 -15.592 1.00 0.00 C ATOM 561 CZ TYR A 42 -3.378 23.929 -15.672 1.00 0.00 C ATOM 562 OH TYR A 42 -2.176 24.451 -16.052 1.00 0.00 O ATOM 0 H TYR A 42 -9.711 21.092 -15.003 1.00 0.00 H new ATOM 0 HA TYR A 42 -8.348 23.660 -15.548 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -7.457 22.667 -13.461 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -7.098 21.192 -14.338 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -6.501 24.904 -14.706 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -4.910 20.928 -15.129 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -4.321 25.854 -15.415 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -2.729 21.876 -15.840 1.00 0.00 H new ATOM 0 HH TYR A 42 -1.487 23.755 -16.004 1.00 0.00 H new ATOM 572 N ASN A 43 -8.641 22.597 -17.808 1.00 0.00 N ATOM 573 CA ASN A 43 -8.588 22.191 -19.204 1.00 0.00 C ATOM 574 C ASN A 43 -9.045 23.367 -20.068 1.00 0.00 C ATOM 575 O ASN A 43 -8.472 23.619 -21.126 1.00 0.00 O ATOM 576 CB ASN A 43 -9.432 20.928 -19.447 1.00 0.00 C ATOM 577 CG ASN A 43 -10.833 21.005 -18.839 1.00 0.00 C ATOM 578 OD1 ASN A 43 -11.759 21.511 -19.469 1.00 0.00 O ATOM 579 ND2 ASN A 43 -10.991 20.492 -17.615 1.00 0.00 N ATOM 0 H ASN A 43 -9.143 23.475 -17.678 1.00 0.00 H new ATOM 0 HA ASN A 43 -7.566 21.928 -19.478 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -9.519 20.760 -20.520 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -8.910 20.066 -19.030 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.908 20.511 -17.168 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.195 20.081 -17.127 1.00 0.00 H new ATOM 586 N ASN A 44 -10.074 24.089 -19.601 1.00 0.00 N ATOM 587 CA ASN A 44 -10.637 25.256 -20.259 1.00 0.00 C ATOM 588 C ASN A 44 -9.583 26.362 -20.376 1.00 0.00 C ATOM 589 O ASN A 44 -9.566 27.085 -21.373 1.00 0.00 O ATOM 590 CB ASN A 44 -11.857 25.727 -19.456 1.00 0.00 C ATOM 591 CG ASN A 44 -12.650 26.833 -20.151 1.00 0.00 C ATOM 592 OD1 ASN A 44 -12.619 26.967 -21.372 1.00 0.00 O ATOM 593 ND2 ASN A 44 -13.377 27.629 -19.362 1.00 0.00 N ATOM 0 H ASN A 44 -10.546 23.862 -18.726 1.00 0.00 H new ATOM 0 HA ASN A 44 -10.952 25.002 -21.271 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -12.515 24.877 -19.276 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -11.525 26.085 -18.482 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -13.933 28.381 -19.769 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -13.376 27.485 -18.352 1.00 0.00 H new ATOM 600 N TYR A 45 -8.709 26.491 -19.364 1.00 0.00 N ATOM 601 CA TYR A 45 -7.635 27.474 -19.329 1.00 0.00 C ATOM 602 C TYR A 45 -6.673 27.224 -20.494 1.00 0.00 C ATOM 603 O TYR A 45 -6.721 27.939 -21.493 1.00 0.00 O ATOM 604 CB TYR A 45 -6.896 27.396 -17.983 1.00 0.00 C ATOM 605 CG TYR A 45 -7.627 28.004 -16.802 1.00 0.00 C ATOM 606 CD1 TYR A 45 -7.682 29.403 -16.667 1.00 0.00 C ATOM 607 CD2 TYR A 45 -8.241 27.183 -15.837 1.00 0.00 C ATOM 608 CE1 TYR A 45 -8.343 29.981 -15.571 1.00 0.00 C ATOM 609 CE2 TYR A 45 -8.900 27.760 -14.738 1.00 0.00 C ATOM 610 CZ TYR A 45 -8.943 29.160 -14.600 1.00 0.00 C ATOM 611 OH TYR A 45 -9.574 29.724 -13.529 1.00 0.00 O ATOM 0 H TYR A 45 -8.738 25.898 -18.534 1.00 0.00 H new ATOM 0 HA TYR A 45 -8.053 28.475 -19.431 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.691 26.349 -17.761 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -5.932 27.895 -18.088 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -7.215 30.034 -17.408 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -8.206 26.109 -15.941 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -8.390 31.056 -15.474 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -9.373 27.130 -14.000 1.00 0.00 H new ATOM 0 HH TYR A 45 -9.939 30.596 -13.786 1.00 0.00 H new ATOM 621 N GLU A 46 -5.810 26.208 -20.357 1.00 0.00 N ATOM 622 CA GLU A 46 -4.827 25.803 -21.351 1.00 0.00 C ATOM 623 C GLU A 46 -4.204 24.482 -20.898 1.00 0.00 C ATOM 624 O GLU A 46 -3.911 24.308 -19.715 1.00 0.00 O ATOM 625 CB GLU A 46 -3.744 26.884 -21.511 1.00 0.00 C ATOM 626 CG GLU A 46 -2.743 26.526 -22.618 1.00 0.00 C ATOM 627 CD GLU A 46 -1.682 27.610 -22.777 1.00 0.00 C ATOM 628 OE1 GLU A 46 -2.034 28.673 -23.335 1.00 0.00 O ATOM 629 OE2 GLU A 46 -0.539 27.363 -22.336 1.00 0.00 O ATOM 0 H GLU A 46 -5.783 25.629 -19.517 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.310 25.673 -22.320 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.215 27.840 -21.742 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -3.213 27.010 -20.567 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -2.263 25.576 -22.384 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.273 26.392 -23.561 1.00 0.00 H new ATOM 636 N GLY A 47 -4.006 23.553 -21.843 1.00 0.00 N ATOM 637 CA GLY A 47 -3.405 22.256 -21.574 1.00 0.00 C ATOM 638 C GLY A 47 -1.919 22.434 -21.264 1.00 0.00 C ATOM 639 O GLY A 47 -1.223 23.142 -21.990 1.00 0.00 O ATOM 0 H GLY A 47 -4.263 23.689 -22.821 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.908 21.778 -20.733 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.531 21.600 -22.435 1.00 0.00 H new ATOM 643 N PHE A 48 -1.437 21.794 -20.189 1.00 0.00 N ATOM 644 CA PHE A 48 -0.048 21.885 -19.761 1.00 0.00 C ATOM 645 C PHE A 48 0.419 20.548 -19.195 1.00 0.00 C ATOM 646 O PHE A 48 -0.005 20.164 -18.107 1.00 0.00 O ATOM 647 CB PHE A 48 0.103 22.994 -18.709 1.00 0.00 C ATOM 648 CG PHE A 48 1.539 23.258 -18.282 1.00 0.00 C ATOM 649 CD1 PHE A 48 2.165 22.434 -17.324 1.00 0.00 C ATOM 650 CD2 PHE A 48 2.257 24.328 -18.850 1.00 0.00 C ATOM 651 CE1 PHE A 48 3.495 22.677 -16.943 1.00 0.00 C ATOM 652 CE2 PHE A 48 3.586 24.573 -18.465 1.00 0.00 C ATOM 653 CZ PHE A 48 4.205 23.748 -17.511 1.00 0.00 C ATOM 0 H PHE A 48 -2.010 21.197 -19.593 1.00 0.00 H new ATOM 0 HA PHE A 48 0.573 22.130 -20.623 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -0.321 23.916 -19.106 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.482 22.727 -17.829 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.620 21.613 -16.882 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.784 24.963 -19.585 1.00 0.00 H new ATOM 0 HE1 PHE A 48 3.972 22.040 -16.213 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.132 25.396 -18.903 1.00 0.00 H new ATOM 0 HZ PHE A 48 5.226 23.937 -17.214 1.00 0.00 H new ATOM 663 N ASP A 49 1.281 19.849 -19.944 1.00 0.00 N ATOM 664 CA ASP A 49 1.882 18.571 -19.577 1.00 0.00 C ATOM 665 C ASP A 49 0.855 17.516 -19.126 1.00 0.00 C ATOM 666 O ASP A 49 -0.349 17.696 -19.305 1.00 0.00 O ATOM 667 CB ASP A 49 2.985 18.864 -18.542 1.00 0.00 C ATOM 668 CG ASP A 49 4.086 17.805 -18.505 1.00 0.00 C ATOM 669 OD1 ASP A 49 4.953 17.853 -19.404 1.00 0.00 O ATOM 670 OD2 ASP A 49 4.039 16.965 -17.582 1.00 0.00 O ATOM 0 H ASP A 49 1.588 20.177 -20.860 1.00 0.00 H new ATOM 0 HA ASP A 49 2.328 18.103 -20.454 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.432 19.833 -18.764 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.533 18.941 -17.553 1.00 0.00 H new ATOM 675 N PHE A 50 1.347 16.406 -18.554 1.00 0.00 N ATOM 676 CA PHE A 50 0.589 15.278 -18.023 1.00 0.00 C ATOM 677 C PHE A 50 -0.647 14.905 -18.849 1.00 0.00 C ATOM 678 O PHE A 50 -1.760 15.280 -18.483 1.00 0.00 O ATOM 679 CB PHE A 50 0.281 15.468 -16.527 1.00 0.00 C ATOM 680 CG PHE A 50 -0.023 16.880 -16.063 1.00 0.00 C ATOM 681 CD1 PHE A 50 1.036 17.712 -15.658 1.00 0.00 C ATOM 682 CD2 PHE A 50 -1.344 17.363 -16.020 1.00 0.00 C ATOM 683 CE1 PHE A 50 0.784 19.025 -15.232 1.00 0.00 C ATOM 684 CE2 PHE A 50 -1.599 18.676 -15.584 1.00 0.00 C ATOM 685 CZ PHE A 50 -0.534 19.507 -15.189 1.00 0.00 C ATOM 0 H PHE A 50 2.352 16.270 -18.446 1.00 0.00 H new ATOM 0 HA PHE A 50 1.238 14.407 -18.115 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.571 14.837 -16.273 1.00 0.00 H new ATOM 0 HB3 PHE A 50 1.133 15.099 -15.956 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.049 17.338 -15.675 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.162 16.726 -16.322 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.603 19.664 -14.937 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.613 19.047 -15.552 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.730 20.514 -14.853 1.00 0.00 H new ATOM 695 N PRO A 51 -0.472 14.185 -19.971 1.00 0.00 N ATOM 696 CA PRO A 51 -1.562 13.734 -20.822 1.00 0.00 C ATOM 697 C PRO A 51 -2.146 12.458 -20.201 1.00 0.00 C ATOM 698 O PRO A 51 -2.078 11.376 -20.781 1.00 0.00 O ATOM 699 CB PRO A 51 -0.906 13.493 -22.184 1.00 0.00 C ATOM 700 CG PRO A 51 0.485 12.987 -21.802 1.00 0.00 C ATOM 701 CD PRO A 51 0.808 13.771 -20.526 1.00 0.00 C ATOM 0 HA PRO A 51 -2.388 14.437 -20.926 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -1.456 12.760 -22.774 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -0.856 14.406 -22.777 1.00 0.00 H new ATOM 0 HG2 PRO A 51 0.487 11.912 -21.625 1.00 0.00 H new ATOM 0 HG3 PRO A 51 1.214 13.182 -22.589 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.358 13.152 -19.817 1.00 0.00 H new ATOM 0 HD3 PRO A 51 1.434 14.635 -20.748 1.00 0.00 H new ATOM 709 N VAL A 52 -2.724 12.609 -19.004 1.00 0.00 N ATOM 710 CA VAL A 52 -3.327 11.552 -18.203 1.00 0.00 C ATOM 711 C VAL A 52 -4.826 11.445 -18.513 1.00 0.00 C ATOM 712 O VAL A 52 -5.252 11.812 -19.609 1.00 0.00 O ATOM 713 CB VAL A 52 -2.992 11.797 -16.716 1.00 0.00 C ATOM 714 CG1 VAL A 52 -1.480 11.695 -16.478 1.00 0.00 C ATOM 715 CG2 VAL A 52 -3.495 13.156 -16.212 1.00 0.00 C ATOM 0 H VAL A 52 -2.784 13.520 -18.550 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.912 10.576 -18.456 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.510 11.021 -16.153 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.265 11.871 -15.424 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.134 10.700 -16.758 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.965 12.442 -17.083 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.232 13.274 -15.161 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.033 13.954 -16.794 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.578 13.207 -16.323 1.00 0.00 H new ATOM 725 N ASP A 53 -5.626 10.937 -17.565 1.00 0.00 N ATOM 726 CA ASP A 53 -7.064 10.753 -17.710 1.00 0.00 C ATOM 727 C ASP A 53 -7.814 11.878 -16.999 1.00 0.00 C ATOM 728 O ASP A 53 -7.690 12.035 -15.784 1.00 0.00 O ATOM 729 CB ASP A 53 -7.462 9.387 -17.141 1.00 0.00 C ATOM 730 CG ASP A 53 -6.744 8.254 -17.872 1.00 0.00 C ATOM 731 OD1 ASP A 53 -7.225 7.888 -18.966 1.00 0.00 O ATOM 732 OD2 ASP A 53 -5.721 7.781 -17.330 1.00 0.00 O ATOM 0 H ASP A 53 -5.275 10.637 -16.655 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.331 10.785 -18.766 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.221 9.348 -16.079 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.540 9.254 -17.228 1.00 0.00 H new ATOM 737 N GLY A 54 -8.590 12.655 -17.764 1.00 0.00 N ATOM 738 CA GLY A 54 -9.388 13.762 -17.261 1.00 0.00 C ATOM 739 C GLY A 54 -10.857 13.366 -17.092 1.00 0.00 C ATOM 740 O GLY A 54 -11.216 12.208 -17.300 1.00 0.00 O ATOM 0 H GLY A 54 -8.677 12.522 -18.772 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -8.988 14.094 -16.303 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.315 14.606 -17.947 1.00 0.00 H new ATOM 744 N PRO A 55 -11.717 14.322 -16.702 1.00 0.00 N ATOM 745 CA PRO A 55 -11.373 15.705 -16.419 1.00 0.00 C ATOM 746 C PRO A 55 -10.651 15.837 -15.081 1.00 0.00 C ATOM 747 O PRO A 55 -11.136 15.363 -14.056 1.00 0.00 O ATOM 748 CB PRO A 55 -12.702 16.450 -16.362 1.00 0.00 C ATOM 749 CG PRO A 55 -13.687 15.384 -15.886 1.00 0.00 C ATOM 750 CD PRO A 55 -13.142 14.101 -16.517 1.00 0.00 C ATOM 0 HA PRO A 55 -10.701 16.103 -17.179 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -12.660 17.294 -15.674 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -12.981 16.848 -17.338 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -13.715 15.318 -14.798 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -14.703 15.597 -16.219 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -13.323 13.241 -15.872 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -13.632 13.895 -17.469 1.00 0.00 H new ATOM 758 N TYR A 56 -9.491 16.498 -15.104 1.00 0.00 N ATOM 759 CA TYR A 56 -8.667 16.745 -13.934 1.00 0.00 C ATOM 760 C TYR A 56 -8.882 18.191 -13.508 1.00 0.00 C ATOM 761 O TYR A 56 -8.985 19.082 -14.352 1.00 0.00 O ATOM 762 CB TYR A 56 -7.204 16.377 -14.205 1.00 0.00 C ATOM 763 CG TYR A 56 -6.583 16.815 -15.517 1.00 0.00 C ATOM 764 CD1 TYR A 56 -6.118 18.132 -15.681 1.00 0.00 C ATOM 765 CD2 TYR A 56 -6.457 15.894 -16.574 1.00 0.00 C ATOM 766 CE1 TYR A 56 -5.532 18.523 -16.898 1.00 0.00 C ATOM 767 CE2 TYR A 56 -5.874 16.286 -17.790 1.00 0.00 C ATOM 768 CZ TYR A 56 -5.410 17.602 -17.953 1.00 0.00 C ATOM 769 OH TYR A 56 -4.833 17.982 -19.129 1.00 0.00 O ATOM 0 H TYR A 56 -9.095 16.883 -15.962 1.00 0.00 H new ATOM 0 HA TYR A 56 -8.959 16.105 -13.101 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -6.602 16.793 -13.397 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -7.117 15.292 -14.142 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -6.211 18.843 -14.873 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -6.810 14.881 -16.449 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -5.174 19.534 -17.023 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -5.782 15.576 -18.599 1.00 0.00 H new ATOM 0 HH TYR A 56 -4.827 17.224 -19.750 1.00 0.00 H new ATOM 779 N GLN A 57 -8.950 18.402 -12.189 1.00 0.00 N ATOM 780 CA GLN A 57 -9.186 19.710 -11.595 1.00 0.00 C ATOM 781 C GLN A 57 -7.985 20.160 -10.783 1.00 0.00 C ATOM 782 O GLN A 57 -7.131 19.358 -10.402 1.00 0.00 O ATOM 783 CB GLN A 57 -10.424 19.681 -10.688 1.00 0.00 C ATOM 784 CG GLN A 57 -11.626 18.971 -11.315 1.00 0.00 C ATOM 785 CD GLN A 57 -12.905 19.181 -10.506 1.00 0.00 C ATOM 786 OE1 GLN A 57 -12.863 19.460 -9.308 1.00 0.00 O ATOM 787 NE2 GLN A 57 -14.054 19.048 -11.170 1.00 0.00 N ATOM 0 H GLN A 57 -8.841 17.657 -11.501 1.00 0.00 H new ATOM 0 HA GLN A 57 -9.353 20.415 -12.410 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -10.167 19.185 -9.752 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -10.706 20.704 -10.439 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -11.775 19.340 -12.330 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -11.417 17.904 -11.391 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -14.045 18.816 -12.163 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -14.942 19.178 -10.685 1.00 0.00 H new ATOM 796 N GLU A 58 -7.951 21.466 -10.519 1.00 0.00 N ATOM 797 CA GLU A 58 -6.907 22.099 -9.750 1.00 0.00 C ATOM 798 C GLU A 58 -7.155 21.870 -8.271 1.00 0.00 C ATOM 799 O GLU A 58 -8.296 21.827 -7.826 1.00 0.00 O ATOM 800 CB GLU A 58 -6.946 23.621 -9.971 1.00 0.00 C ATOM 801 CG GLU A 58 -6.215 24.070 -11.239 1.00 0.00 C ATOM 802 CD GLU A 58 -6.903 25.260 -11.909 1.00 0.00 C ATOM 803 OE1 GLU A 58 -8.070 25.086 -12.324 1.00 0.00 O ATOM 804 OE2 GLU A 58 -6.252 26.324 -12.002 1.00 0.00 O ATOM 0 H GLU A 58 -8.666 22.116 -10.845 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.951 21.680 -10.063 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.985 23.946 -10.025 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.501 24.117 -9.109 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.189 24.339 -10.989 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.165 23.238 -11.942 1.00 0.00 H new ATOM 811 N PHE A 59 -6.062 21.709 -7.532 1.00 0.00 N ATOM 812 CA PHE A 59 -6.055 21.549 -6.098 1.00 0.00 C ATOM 813 C PHE A 59 -4.866 22.404 -5.688 1.00 0.00 C ATOM 814 O PHE A 59 -3.721 21.984 -5.827 1.00 0.00 O ATOM 815 CB PHE A 59 -5.935 20.117 -5.595 1.00 0.00 C ATOM 816 CG PHE A 59 -5.986 20.229 -4.084 1.00 0.00 C ATOM 817 CD1 PHE A 59 -7.227 20.203 -3.422 1.00 0.00 C ATOM 818 CD2 PHE A 59 -4.801 20.386 -3.342 1.00 0.00 C ATOM 819 CE1 PHE A 59 -7.273 20.328 -2.025 1.00 0.00 C ATOM 820 CE2 PHE A 59 -4.854 20.521 -1.948 1.00 0.00 C ATOM 821 CZ PHE A 59 -6.092 20.498 -1.292 1.00 0.00 C ATOM 0 H PHE A 59 -5.127 21.687 -7.939 1.00 0.00 H new ATOM 0 HA PHE A 59 -7.008 21.847 -5.660 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.747 19.496 -5.973 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.003 19.659 -5.926 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -8.140 20.087 -3.986 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.847 20.403 -3.848 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -8.223 20.293 -1.513 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.943 20.642 -1.381 1.00 0.00 H new ATOM 0 HZ PHE A 59 -6.135 20.612 -0.219 1.00 0.00 H new ATOM 831 N PRO A 60 -5.102 23.601 -5.161 1.00 0.00 N ATOM 832 CA PRO A 60 -4.024 24.490 -4.816 1.00 0.00 C ATOM 833 C PRO A 60 -3.353 24.092 -3.500 1.00 0.00 C ATOM 834 O PRO A 60 -4.047 23.737 -2.551 1.00 0.00 O ATOM 835 CB PRO A 60 -4.720 25.836 -4.885 1.00 0.00 C ATOM 836 CG PRO A 60 -6.090 25.569 -4.270 1.00 0.00 C ATOM 837 CD PRO A 60 -6.396 24.183 -4.837 1.00 0.00 C ATOM 0 HA PRO A 60 -3.151 24.479 -5.469 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -4.174 26.598 -4.329 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -4.805 26.190 -5.912 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -6.061 25.572 -3.180 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -6.830 26.311 -4.571 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.931 23.571 -4.111 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -7.028 24.252 -5.722 1.00 0.00 H new ATOM 845 N ILE A 61 -2.007 24.138 -3.459 1.00 0.00 N ATOM 846 CA ILE A 61 -1.188 23.774 -2.309 1.00 0.00 C ATOM 847 C ILE A 61 -0.386 24.925 -1.758 1.00 0.00 C ATOM 848 O ILE A 61 -0.431 26.076 -2.188 1.00 0.00 O ATOM 849 CB ILE A 61 -0.236 22.629 -2.676 1.00 0.00 C ATOM 850 CG1 ILE A 61 0.435 21.733 -1.613 1.00 0.00 C ATOM 851 CG2 ILE A 61 0.714 22.997 -3.811 1.00 0.00 C ATOM 852 CD1 ILE A 61 0.652 20.317 -2.144 1.00 0.00 C ATOM 0 H ILE A 61 -1.451 24.441 -4.258 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.883 23.460 -1.530 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.998 21.918 -2.996 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.392 22.165 -1.320 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.186 21.698 -0.718 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.365 22.150 -4.030 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.137 23.250 -4.701 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.320 23.854 -3.515 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.126 19.708 -1.374 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.309 19.878 -2.413 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.294 20.353 -3.024 1.00 0.00 H new ATOM 864 N LYS A 62 0.346 24.481 -0.757 1.00 0.00 N ATOM 865 CA LYS A 62 1.295 25.239 0.038 1.00 0.00 C ATOM 866 C LYS A 62 2.267 24.322 0.780 1.00 0.00 C ATOM 867 O LYS A 62 1.942 23.173 1.078 1.00 0.00 O ATOM 868 CB LYS A 62 0.591 26.233 0.971 1.00 0.00 C ATOM 869 CG LYS A 62 1.462 27.450 1.314 1.00 0.00 C ATOM 870 CD LYS A 62 1.828 28.297 0.077 1.00 0.00 C ATOM 871 CE LYS A 62 3.295 28.183 -0.363 1.00 0.00 C ATOM 872 NZ LYS A 62 4.215 28.724 0.651 1.00 0.00 N ATOM 0 H LYS A 62 0.290 23.509 -0.454 1.00 0.00 H new ATOM 0 HA LYS A 62 1.895 25.836 -0.649 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.332 26.574 0.501 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.310 25.722 1.892 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.934 28.076 2.033 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.377 27.110 1.798 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.189 27.998 -0.754 1.00 0.00 H new ATOM 0 HD3 LYS A 62 1.606 29.343 0.290 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.537 27.137 -0.552 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.435 28.718 -1.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.154 28.865 0.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.852 29.634 0.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.290 28.055 1.444 1.00 0.00 H new ATOM 886 N SER A 63 3.462 24.846 1.085 1.00 0.00 N ATOM 887 CA SER A 63 4.520 24.146 1.798 1.00 0.00 C ATOM 888 C SER A 63 4.313 24.369 3.298 1.00 0.00 C ATOM 889 O SER A 63 5.186 24.901 3.981 1.00 0.00 O ATOM 890 CB SER A 63 5.884 24.650 1.315 1.00 0.00 C ATOM 891 OG SER A 63 6.924 23.899 1.905 1.00 0.00 O ATOM 0 H SER A 63 3.719 25.800 0.831 1.00 0.00 H new ATOM 0 HA SER A 63 4.489 23.074 1.602 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.943 24.574 0.229 1.00 0.00 H new ATOM 0 HB3 SER A 63 6.000 25.704 1.568 1.00 0.00 H new ATOM 0 HG SER A 63 7.381 23.375 1.215 1.00 0.00 H new ATOM 897 N GLY A 64 3.139 23.964 3.804 1.00 0.00 N ATOM 898 CA GLY A 64 2.765 24.116 5.199 1.00 0.00 C ATOM 899 C GLY A 64 1.830 22.990 5.632 1.00 0.00 C ATOM 900 O GLY A 64 2.257 22.084 6.346 1.00 0.00 O ATOM 0 H GLY A 64 2.418 23.516 3.238 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.659 24.113 5.823 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.276 25.079 5.347 1.00 0.00 H new ATOM 904 N GLY A 65 0.560 23.046 5.208 1.00 0.00 N ATOM 905 CA GLY A 65 -0.422 22.037 5.573 1.00 0.00 C ATOM 906 C GLY A 65 -1.691 22.144 4.731 1.00 0.00 C ATOM 907 O GLY A 65 -2.650 22.797 5.141 1.00 0.00 O ATOM 0 H GLY A 65 0.195 23.787 4.609 1.00 0.00 H new ATOM 0 HA2 GLY A 65 0.013 21.045 5.448 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -0.676 22.143 6.628 1.00 0.00 H new ATOM 911 N VAL A 66 -1.681 21.485 3.564 1.00 0.00 N ATOM 912 CA VAL A 66 -2.765 21.407 2.592 1.00 0.00 C ATOM 913 C VAL A 66 -3.497 22.743 2.385 1.00 0.00 C ATOM 914 O VAL A 66 -4.697 22.858 2.625 1.00 0.00 O ATOM 915 CB VAL A 66 -3.638 20.164 2.891 1.00 0.00 C ATOM 916 CG1 VAL A 66 -4.342 20.178 4.256 1.00 0.00 C ATOM 917 CG2 VAL A 66 -4.662 19.874 1.785 1.00 0.00 C ATOM 0 H VAL A 66 -0.860 20.961 3.260 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.357 21.243 1.595 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.909 19.355 2.923 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.928 19.267 4.372 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.597 20.234 5.049 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.001 21.044 4.316 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.244 18.992 2.051 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.329 20.729 1.673 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.141 19.695 0.844 1.00 0.00 H new ATOM 927 N TYR A 67 -2.736 23.755 1.935 1.00 0.00 N ATOM 928 CA TYR A 67 -3.179 25.112 1.635 1.00 0.00 C ATOM 929 C TYR A 67 -3.824 25.835 2.822 1.00 0.00 C ATOM 930 O TYR A 67 -5.025 25.710 3.059 1.00 0.00 O ATOM 931 CB TYR A 67 -4.067 25.121 0.381 1.00 0.00 C ATOM 932 CG TYR A 67 -4.628 26.475 -0.029 1.00 0.00 C ATOM 933 CD1 TYR A 67 -3.794 27.608 -0.104 1.00 0.00 C ATOM 934 CD2 TYR A 67 -5.993 26.597 -0.352 1.00 0.00 C ATOM 935 CE1 TYR A 67 -4.325 28.856 -0.477 1.00 0.00 C ATOM 936 CE2 TYR A 67 -6.520 27.840 -0.741 1.00 0.00 C ATOM 937 CZ TYR A 67 -5.690 28.972 -0.798 1.00 0.00 C ATOM 938 OH TYR A 67 -6.210 30.181 -1.163 1.00 0.00 O ATOM 0 H TYR A 67 -1.738 23.632 1.763 1.00 0.00 H new ATOM 0 HA TYR A 67 -2.283 25.695 1.423 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -3.489 24.722 -0.452 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -4.901 24.439 0.546 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.743 27.518 0.126 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -6.637 25.732 -0.301 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -3.685 29.725 -0.517 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -7.566 27.925 -0.997 1.00 0.00 H new ATOM 0 HH TYR A 67 -7.167 30.082 -1.352 1.00 0.00 H new ATOM 948 N THR A 68 -3.007 26.603 3.556 1.00 0.00 N ATOM 949 CA THR A 68 -3.418 27.393 4.708 1.00 0.00 C ATOM 950 C THR A 68 -2.424 28.543 4.897 1.00 0.00 C ATOM 951 O THR A 68 -1.221 28.305 5.007 1.00 0.00 O ATOM 952 CB THR A 68 -3.612 26.524 5.957 1.00 0.00 C ATOM 953 OG1 THR A 68 -4.125 27.308 7.015 1.00 0.00 O ATOM 954 CG2 THR A 68 -2.313 25.863 6.399 1.00 0.00 C ATOM 0 H THR A 68 -2.011 26.689 3.352 1.00 0.00 H new ATOM 0 HA THR A 68 -4.400 27.830 4.529 1.00 0.00 H new ATOM 0 HB THR A 68 -4.319 25.736 5.699 1.00 0.00 H new ATOM 0 HG1 THR A 68 -4.248 26.746 7.809 1.00 0.00 H new ATOM 0 HG21 THR A 68 -2.497 25.257 7.286 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.937 25.227 5.597 1.00 0.00 H new ATOM 0 HG23 THR A 68 -1.574 26.631 6.630 1.00 0.00 H new ATOM 962 N GLY A 69 -2.934 29.784 4.920 1.00 0.00 N ATOM 963 CA GLY A 69 -2.151 31.000 5.095 1.00 0.00 C ATOM 964 C GLY A 69 -0.975 31.054 4.120 1.00 0.00 C ATOM 965 O GLY A 69 0.180 30.998 4.542 1.00 0.00 O ATOM 0 H GLY A 69 -3.932 29.966 4.814 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.790 31.870 4.945 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -1.779 31.051 6.118 1.00 0.00 H new ATOM 969 N GLY A 70 -1.274 31.166 2.821 1.00 0.00 N ATOM 970 CA GLY A 70 -0.259 31.206 1.786 1.00 0.00 C ATOM 971 C GLY A 70 -0.841 31.701 0.467 1.00 0.00 C ATOM 972 O GLY A 70 -1.102 30.911 -0.438 1.00 0.00 O ATOM 0 H GLY A 70 -2.229 31.231 2.467 1.00 0.00 H new ATOM 0 HA2 GLY A 70 0.556 31.860 2.096 1.00 0.00 H new ATOM 0 HA3 GLY A 70 0.165 30.211 1.650 1.00 0.00 H new ATOM 976 N SER A 71 -1.027 33.023 0.379 1.00 0.00 N ATOM 977 CA SER A 71 -1.550 33.721 -0.782 1.00 0.00 C ATOM 978 C SER A 71 -0.846 35.081 -0.838 1.00 0.00 C ATOM 979 O SER A 71 -1.135 35.927 0.009 1.00 0.00 O ATOM 980 CB SER A 71 -3.069 33.871 -0.646 1.00 0.00 C ATOM 981 OG SER A 71 -3.586 34.600 -1.738 1.00 0.00 O ATOM 0 H SER A 71 -0.806 33.653 1.150 1.00 0.00 H new ATOM 0 HA SER A 71 -1.364 33.174 -1.706 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.536 32.887 -0.602 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.309 34.380 0.287 1.00 0.00 H new ATOM 0 HG SER A 71 -4.557 34.689 -1.642 1.00 0.00 H new ATOM 987 N PRO A 72 0.068 35.326 -1.795 1.00 0.00 N ATOM 988 CA PRO A 72 0.507 34.432 -2.861 1.00 0.00 C ATOM 989 C PRO A 72 1.158 33.140 -2.361 1.00 0.00 C ATOM 990 O PRO A 72 1.618 33.059 -1.223 1.00 0.00 O ATOM 991 CB PRO A 72 1.506 35.239 -3.702 1.00 0.00 C ATOM 992 CG PRO A 72 1.139 36.687 -3.390 1.00 0.00 C ATOM 993 CD PRO A 72 0.766 36.593 -1.913 1.00 0.00 C ATOM 0 HA PRO A 72 -0.361 34.102 -3.432 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.537 35.017 -3.425 1.00 0.00 H new ATOM 0 HB3 PRO A 72 1.407 35.019 -4.765 1.00 0.00 H new ATOM 0 HG2 PRO A 72 1.973 37.368 -3.560 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.309 37.041 -4.001 1.00 0.00 H new ATOM 0 HD2 PRO A 72 1.651 36.619 -1.278 1.00 0.00 H new ATOM 0 HD3 PRO A 72 0.131 37.426 -1.610 1.00 0.00 H new ATOM 1001 N GLY A 73 1.191 32.140 -3.248 1.00 0.00 N ATOM 1002 CA GLY A 73 1.749 30.818 -3.001 1.00 0.00 C ATOM 1003 C GLY A 73 2.437 30.273 -4.254 1.00 0.00 C ATOM 1004 O GLY A 73 3.515 29.690 -4.154 1.00 0.00 O ATOM 0 H GLY A 73 0.814 32.239 -4.191 1.00 0.00 H new ATOM 0 HA2 GLY A 73 2.465 30.869 -2.181 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.957 30.137 -2.691 1.00 0.00 H new ATOM 1008 N ALA A 74 1.801 30.456 -5.422 1.00 0.00 N ATOM 1009 CA ALA A 74 2.251 30.052 -6.745 1.00 0.00 C ATOM 1010 C ALA A 74 2.026 28.566 -7.011 1.00 0.00 C ATOM 1011 O ALA A 74 1.484 28.238 -8.064 1.00 0.00 O ATOM 1012 CB ALA A 74 3.691 30.498 -7.038 1.00 0.00 C ATOM 0 H ALA A 74 0.896 30.924 -5.459 1.00 0.00 H new ATOM 0 HA ALA A 74 1.621 30.583 -7.458 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.977 30.171 -8.038 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.754 31.585 -6.980 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.365 30.055 -6.305 1.00 0.00 H new ATOM 1018 N ASP A 75 2.417 27.675 -6.083 1.00 0.00 N ATOM 1019 CA ASP A 75 2.266 26.236 -6.269 1.00 0.00 C ATOM 1020 C ASP A 75 0.852 25.700 -6.091 1.00 0.00 C ATOM 1021 O ASP A 75 0.215 25.891 -5.054 1.00 0.00 O ATOM 1022 CB ASP A 75 3.282 25.456 -5.423 1.00 0.00 C ATOM 1023 CG ASP A 75 3.267 23.943 -5.689 1.00 0.00 C ATOM 1024 OD1 ASP A 75 2.878 23.535 -6.805 1.00 0.00 O ATOM 1025 OD2 ASP A 75 3.661 23.202 -4.766 1.00 0.00 O ATOM 0 H ASP A 75 2.842 27.937 -5.193 1.00 0.00 H new ATOM 0 HA ASP A 75 2.483 26.069 -7.324 1.00 0.00 H new ATOM 0 HB2 ASP A 75 4.282 25.842 -5.622 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.076 25.633 -4.367 1.00 0.00 H new ATOM 1030 N ARG A 76 0.400 25.006 -7.145 1.00 0.00 N ATOM 1031 CA ARG A 76 -0.898 24.376 -7.242 1.00 0.00 C ATOM 1032 C ARG A 76 -0.742 22.985 -7.861 1.00 0.00 C ATOM 1033 O ARG A 76 -0.287 22.871 -9.000 1.00 0.00 O ATOM 1034 CB ARG A 76 -1.845 25.231 -8.109 1.00 0.00 C ATOM 1035 CG ARG A 76 -1.782 26.749 -7.876 1.00 0.00 C ATOM 1036 CD ARG A 76 -2.285 27.211 -6.510 1.00 0.00 C ATOM 1037 NE ARG A 76 -1.761 28.533 -6.150 1.00 0.00 N ATOM 1038 CZ ARG A 76 -1.619 29.004 -4.897 1.00 0.00 C ATOM 1039 NH1 ARG A 76 -1.832 28.230 -3.822 1.00 0.00 N ATOM 1040 NH2 ARG A 76 -1.268 30.284 -4.719 1.00 0.00 N ATOM 0 H ARG A 76 0.964 24.870 -7.984 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.326 24.286 -6.244 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.623 25.034 -9.158 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.868 24.898 -7.932 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -0.750 27.078 -7.997 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.368 27.245 -8.650 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.375 27.242 -6.516 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.991 26.486 -5.751 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.480 29.148 -6.914 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -2.110 27.256 -3.942 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.716 28.616 -2.885 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -1.112 30.887 -5.527 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -1.156 30.656 -3.776 1.00 0.00 H new ATOM 1054 N VAL A 77 -1.103 21.928 -7.112 1.00 0.00 N ATOM 1055 CA VAL A 77 -1.046 20.561 -7.626 1.00 0.00 C ATOM 1056 C VAL A 77 -2.349 20.332 -8.392 1.00 0.00 C ATOM 1057 O VAL A 77 -3.299 21.100 -8.258 1.00 0.00 O ATOM 1058 CB VAL A 77 -0.784 19.490 -6.550 1.00 0.00 C ATOM 1059 CG1 VAL A 77 0.641 19.590 -6.002 1.00 0.00 C ATOM 1060 CG2 VAL A 77 -1.781 19.523 -5.392 1.00 0.00 C ATOM 0 H VAL A 77 -1.436 22.001 -6.151 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.183 20.453 -8.283 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.917 18.536 -7.059 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.794 18.821 -5.245 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.354 19.447 -6.814 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.791 20.573 -5.556 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.532 18.741 -4.675 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.735 20.494 -4.900 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.788 19.358 -5.774 1.00 0.00 H new ATOM 1070 N VAL A 78 -2.406 19.287 -9.212 1.00 0.00 N ATOM 1071 CA VAL A 78 -3.575 18.982 -10.022 1.00 0.00 C ATOM 1072 C VAL A 78 -3.738 17.458 -9.989 1.00 0.00 C ATOM 1073 O VAL A 78 -2.742 16.740 -10.091 1.00 0.00 O ATOM 1074 CB VAL A 78 -3.328 19.619 -11.406 1.00 0.00 C ATOM 1075 CG1 VAL A 78 -4.434 19.316 -12.423 1.00 0.00 C ATOM 1076 CG2 VAL A 78 -3.167 21.155 -11.262 1.00 0.00 C ATOM 0 H VAL A 78 -1.638 18.627 -9.332 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.522 19.392 -9.671 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.411 19.171 -11.790 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.196 19.794 -13.373 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.509 18.238 -12.568 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.384 19.699 -12.052 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.993 21.596 -12.243 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.074 21.577 -10.830 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.320 21.373 -10.611 1.00 0.00 H new ATOM 1086 N ILE A 79 -4.980 16.964 -9.833 1.00 0.00 N ATOM 1087 CA ILE A 79 -5.282 15.534 -9.747 1.00 0.00 C ATOM 1088 C ILE A 79 -6.429 15.117 -10.683 1.00 0.00 C ATOM 1089 O ILE A 79 -7.241 15.945 -11.104 1.00 0.00 O ATOM 1090 CB ILE A 79 -5.572 15.129 -8.286 1.00 0.00 C ATOM 1091 CG1 ILE A 79 -6.862 15.748 -7.720 1.00 0.00 C ATOM 1092 CG2 ILE A 79 -4.404 15.488 -7.354 1.00 0.00 C ATOM 1093 CD1 ILE A 79 -7.516 14.805 -6.704 1.00 0.00 C ATOM 0 H ILE A 79 -5.807 17.557 -9.763 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.398 14.995 -10.087 1.00 0.00 H new ATOM 0 HB ILE A 79 -5.704 14.048 -8.319 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.635 16.702 -7.244 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.559 15.955 -8.532 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -4.646 15.187 -6.335 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.504 14.968 -7.682 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.232 16.564 -7.384 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.426 15.262 -6.317 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.763 13.861 -7.190 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -6.825 14.620 -5.882 1.00 0.00 H new ATOM 1105 N ASN A 80 -6.478 13.809 -10.976 1.00 0.00 N ATOM 1106 CA ASN A 80 -7.432 13.130 -11.844 1.00 0.00 C ATOM 1107 C ASN A 80 -8.626 12.706 -10.999 1.00 0.00 C ATOM 1108 O ASN A 80 -8.452 12.359 -9.830 1.00 0.00 O ATOM 1109 CB ASN A 80 -6.765 11.911 -12.492 1.00 0.00 C ATOM 1110 CG ASN A 80 -5.546 12.304 -13.322 1.00 0.00 C ATOM 1111 OD1 ASN A 80 -5.553 13.343 -13.975 1.00 0.00 O ATOM 1112 ND2 ASN A 80 -4.496 11.479 -13.295 1.00 0.00 N ATOM 0 H ASN A 80 -5.800 13.158 -10.580 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.766 13.795 -12.640 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -6.464 11.206 -11.716 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.486 11.397 -13.127 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -3.658 11.703 -13.831 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -4.533 10.625 -12.738 1.00 0.00 H new ATOM 1119 N THR A 81 -9.826 12.727 -11.599 1.00 0.00 N ATOM 1120 CA THR A 81 -11.081 12.401 -10.932 1.00 0.00 C ATOM 1121 C THR A 81 -11.345 10.927 -10.627 1.00 0.00 C ATOM 1122 O THR A 81 -12.244 10.285 -11.167 1.00 0.00 O ATOM 1123 CB THR A 81 -12.252 13.194 -11.517 1.00 0.00 C ATOM 1124 OG1 THR A 81 -13.419 12.995 -10.748 1.00 0.00 O ATOM 1125 CG2 THR A 81 -12.530 12.830 -12.967 1.00 0.00 C ATOM 0 H THR A 81 -9.946 12.977 -12.581 1.00 0.00 H new ATOM 0 HA THR A 81 -10.958 12.757 -9.909 1.00 0.00 H new ATOM 0 HB THR A 81 -11.966 14.245 -11.486 1.00 0.00 H new ATOM 0 HG1 THR A 81 -14.157 13.510 -11.135 1.00 0.00 H new ATOM 0 HG21 THR A 81 -13.369 13.420 -13.336 1.00 0.00 H new ATOM 0 HG22 THR A 81 -11.647 13.039 -13.570 1.00 0.00 H new ATOM 0 HG23 THR A 81 -12.774 11.770 -13.036 1.00 0.00 H new ATOM 1133 N ASN A 82 -10.501 10.423 -9.731 1.00 0.00 N ATOM 1134 CA ASN A 82 -10.467 9.115 -9.141 1.00 0.00 C ATOM 1135 C ASN A 82 -9.686 9.486 -7.881 1.00 0.00 C ATOM 1136 O ASN A 82 -10.276 9.928 -6.896 1.00 0.00 O ATOM 1137 CB ASN A 82 -9.797 8.109 -10.094 1.00 0.00 C ATOM 1138 CG ASN A 82 -9.495 6.762 -9.437 1.00 0.00 C ATOM 1139 OD1 ASN A 82 -9.929 6.488 -8.320 1.00 0.00 O ATOM 1140 ND2 ASN A 82 -8.741 5.910 -10.139 1.00 0.00 N ATOM 0 H ASN A 82 -9.742 11.000 -9.368 1.00 0.00 H new ATOM 0 HA ASN A 82 -11.407 8.605 -8.931 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -10.445 7.948 -10.955 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -8.868 8.538 -10.470 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -8.507 4.996 -9.750 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -8.399 6.174 -11.063 1.00 0.00 H new ATOM 1147 N CYS A 83 -8.366 9.309 -7.941 1.00 0.00 N ATOM 1148 CA CYS A 83 -7.410 9.634 -6.891 1.00 0.00 C ATOM 1149 C CYS A 83 -5.958 9.715 -7.380 1.00 0.00 C ATOM 1150 O CYS A 83 -5.050 9.801 -6.554 1.00 0.00 O ATOM 1151 CB CYS A 83 -7.591 8.720 -5.666 1.00 0.00 C ATOM 1152 SG CYS A 83 -8.607 9.434 -4.348 1.00 0.00 S ATOM 0 H CYS A 83 -7.915 8.915 -8.767 1.00 0.00 H new ATOM 0 HA CYS A 83 -7.639 10.649 -6.567 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -8.043 7.783 -5.990 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -6.609 8.477 -5.260 1.00 0.00 H new ATOM 1157 N GLU A 84 -5.715 9.707 -8.698 1.00 0.00 N ATOM 1158 CA GLU A 84 -4.368 9.726 -9.250 1.00 0.00 C ATOM 1159 C GLU A 84 -3.835 11.146 -9.420 1.00 0.00 C ATOM 1160 O GLU A 84 -4.574 12.047 -9.798 1.00 0.00 O ATOM 1161 CB GLU A 84 -4.360 8.971 -10.585 1.00 0.00 C ATOM 1162 CG GLU A 84 -4.706 7.490 -10.387 1.00 0.00 C ATOM 1163 CD GLU A 84 -4.722 6.745 -11.719 1.00 0.00 C ATOM 1164 OE1 GLU A 84 -3.615 6.496 -12.245 1.00 0.00 O ATOM 1165 OE2 GLU A 84 -5.838 6.441 -12.190 1.00 0.00 O ATOM 0 H GLU A 84 -6.451 9.687 -9.404 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.701 9.229 -8.546 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.077 9.427 -11.268 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.378 9.059 -11.049 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -3.978 7.030 -9.719 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.680 7.402 -9.906 1.00 0.00 H new ATOM 1172 N TYR A 85 -2.544 11.337 -9.127 1.00 0.00 N ATOM 1173 CA TYR A 85 -1.848 12.611 -9.251 1.00 0.00 C ATOM 1174 C TYR A 85 -1.633 12.870 -10.743 1.00 0.00 C ATOM 1175 O TYR A 85 -1.179 11.982 -11.464 1.00 0.00 O ATOM 1176 CB TYR A 85 -0.540 12.516 -8.431 1.00 0.00 C ATOM 1177 CG TYR A 85 0.603 13.493 -8.699 1.00 0.00 C ATOM 1178 CD1 TYR A 85 1.346 13.386 -9.894 1.00 0.00 C ATOM 1179 CD2 TYR A 85 0.948 14.493 -7.762 1.00 0.00 C ATOM 1180 CE1 TYR A 85 2.412 14.260 -10.155 1.00 0.00 C ATOM 1181 CE2 TYR A 85 2.015 15.371 -8.033 1.00 0.00 C ATOM 1182 CZ TYR A 85 2.747 15.256 -9.227 1.00 0.00 C ATOM 1183 OH TYR A 85 3.789 16.102 -9.474 1.00 0.00 O ATOM 0 H TYR A 85 -1.943 10.586 -8.788 1.00 0.00 H new ATOM 0 HA TYR A 85 -2.409 13.457 -8.854 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -0.809 12.613 -7.379 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.145 11.509 -8.567 1.00 0.00 H new ATOM 0 HD1 TYR A 85 1.091 12.623 -10.615 1.00 0.00 H new ATOM 0 HD2 TYR A 85 0.394 14.584 -6.839 1.00 0.00 H new ATOM 0 HE1 TYR A 85 2.975 14.165 -11.072 1.00 0.00 H new ATOM 0 HE2 TYR A 85 2.273 16.138 -7.318 1.00 0.00 H new ATOM 0 HH TYR A 85 3.886 16.228 -10.441 1.00 0.00 H new ATOM 1193 N ALA A 86 -1.972 14.081 -11.205 1.00 0.00 N ATOM 1194 CA ALA A 86 -1.809 14.480 -12.595 1.00 0.00 C ATOM 1195 C ALA A 86 -0.455 15.162 -12.739 1.00 0.00 C ATOM 1196 O ALA A 86 0.372 14.727 -13.538 1.00 0.00 O ATOM 1197 CB ALA A 86 -2.954 15.396 -13.042 1.00 0.00 C ATOM 0 H ALA A 86 -2.369 14.811 -10.614 1.00 0.00 H new ATOM 0 HA ALA A 86 -1.843 13.603 -13.242 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.808 15.679 -14.084 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.903 14.869 -12.939 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.967 16.292 -12.421 1.00 0.00 H new ATOM 1203 N GLY A 87 -0.227 16.222 -11.955 1.00 0.00 N ATOM 1204 CA GLY A 87 1.015 16.970 -12.001 1.00 0.00 C ATOM 1205 C GLY A 87 1.120 17.985 -10.868 1.00 0.00 C ATOM 1206 O GLY A 87 0.246 18.070 -10.005 1.00 0.00 O ATOM 0 H GLY A 87 -0.901 16.577 -11.277 1.00 0.00 H new ATOM 0 HA2 GLY A 87 1.856 16.278 -11.946 1.00 0.00 H new ATOM 0 HA3 GLY A 87 1.090 17.487 -12.958 1.00 0.00 H new ATOM 1210 N ALA A 88 2.221 18.742 -10.896 1.00 0.00 N ATOM 1211 CA ALA A 88 2.555 19.793 -9.950 1.00 0.00 C ATOM 1212 C ALA A 88 3.116 20.958 -10.756 1.00 0.00 C ATOM 1213 O ALA A 88 4.144 20.804 -11.412 1.00 0.00 O ATOM 1214 CB ALA A 88 3.560 19.266 -8.922 1.00 0.00 C ATOM 0 H ALA A 88 2.933 18.627 -11.617 1.00 0.00 H new ATOM 0 HA ALA A 88 1.681 20.126 -9.390 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.807 20.058 -8.215 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.124 18.424 -8.385 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.466 18.940 -9.433 1.00 0.00 H new ATOM 1220 N ILE A 89 2.436 22.113 -10.712 1.00 0.00 N ATOM 1221 CA ILE A 89 2.823 23.318 -11.439 1.00 0.00 C ATOM 1222 C ILE A 89 2.877 24.508 -10.479 1.00 0.00 C ATOM 1223 O ILE A 89 2.175 24.505 -9.470 1.00 0.00 O ATOM 1224 CB ILE A 89 1.881 23.543 -12.632 1.00 0.00 C ATOM 1225 CG1 ILE A 89 0.407 23.645 -12.187 1.00 0.00 C ATOM 1226 CG2 ILE A 89 2.042 22.403 -13.648 1.00 0.00 C ATOM 1227 CD1 ILE A 89 -0.553 24.007 -13.324 1.00 0.00 C ATOM 0 H ILE A 89 1.587 22.232 -10.159 1.00 0.00 H new ATOM 0 HA ILE A 89 3.824 23.201 -11.854 1.00 0.00 H new ATOM 0 HB ILE A 89 2.154 24.491 -13.096 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.101 22.693 -11.753 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.325 24.395 -11.400 1.00 0.00 H new ATOM 0 HG21 ILE A 89 1.371 22.569 -14.491 1.00 0.00 H new ATOM 0 HG22 ILE A 89 3.072 22.376 -14.004 1.00 0.00 H new ATOM 0 HG23 ILE A 89 1.797 21.454 -13.171 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.571 24.061 -12.938 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -0.272 24.973 -13.743 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.500 23.245 -14.101 1.00 0.00 H new ATOM 1239 N THR A 90 3.694 25.529 -10.786 1.00 0.00 N ATOM 1240 CA THR A 90 3.861 26.687 -9.936 1.00 0.00 C ATOM 1241 C THR A 90 4.247 27.964 -10.685 1.00 0.00 C ATOM 1242 O THR A 90 4.883 27.890 -11.735 1.00 0.00 O ATOM 1243 CB THR A 90 5.022 26.302 -9.001 1.00 0.00 C ATOM 1244 OG1 THR A 90 4.585 25.502 -7.956 1.00 0.00 O ATOM 1245 CG2 THR A 90 5.866 27.465 -8.510 1.00 0.00 C ATOM 0 H THR A 90 4.254 25.561 -11.638 1.00 0.00 H new ATOM 0 HA THR A 90 2.918 26.916 -9.439 1.00 0.00 H new ATOM 0 HB THR A 90 5.702 25.720 -9.623 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.014 24.623 -8.016 1.00 0.00 H new ATOM 0 HG21 THR A 90 6.656 27.092 -7.859 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.311 27.978 -9.363 1.00 0.00 H new ATOM 0 HG23 THR A 90 5.238 28.162 -7.955 1.00 0.00 H new ATOM 1253 N HIS A 91 3.846 29.128 -10.140 1.00 0.00 N ATOM 1254 CA HIS A 91 4.231 30.431 -10.695 1.00 0.00 C ATOM 1255 C HIS A 91 5.676 30.739 -10.228 1.00 0.00 C ATOM 1256 O HIS A 91 5.877 31.548 -9.322 1.00 0.00 O ATOM 1257 CB HIS A 91 3.321 31.637 -10.318 1.00 0.00 C ATOM 1258 CG HIS A 91 1.853 31.449 -10.099 1.00 0.00 C ATOM 1259 ND1 HIS A 91 1.079 32.447 -9.523 1.00 0.00 N ATOM 1260 CD2 HIS A 91 0.991 30.420 -10.347 1.00 0.00 C ATOM 1261 CE1 HIS A 91 -0.177 31.982 -9.448 1.00 0.00 C ATOM 1262 NE2 HIS A 91 -0.298 30.749 -9.939 1.00 0.00 N ATOM 0 H HIS A 91 3.253 29.188 -9.312 1.00 0.00 H new ATOM 0 HA HIS A 91 4.130 30.331 -11.776 1.00 0.00 H new ATOM 0 HB2 HIS A 91 3.728 32.072 -9.405 1.00 0.00 H new ATOM 0 HB3 HIS A 91 3.435 32.382 -11.105 1.00 0.00 H new ATOM 0 HD2 HIS A 91 1.271 29.480 -10.798 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -1.000 32.545 -9.035 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -1.141 30.178 -10.001 1.00 0.00 H new ATOM 1270 N THR A 92 6.710 30.109 -10.810 1.00 0.00 N ATOM 1271 CA THR A 92 8.097 30.353 -10.395 1.00 0.00 C ATOM 1272 C THR A 92 8.541 31.753 -10.828 1.00 0.00 C ATOM 1273 O THR A 92 8.476 32.695 -10.040 1.00 0.00 O ATOM 1274 CB THR A 92 9.049 29.249 -10.890 1.00 0.00 C ATOM 1275 OG1 THR A 92 8.613 27.982 -10.445 1.00 0.00 O ATOM 1276 CG2 THR A 92 10.477 29.468 -10.373 1.00 0.00 C ATOM 0 H THR A 92 6.610 29.431 -11.565 1.00 0.00 H new ATOM 0 HA THR A 92 8.142 30.315 -9.307 1.00 0.00 H new ATOM 0 HB THR A 92 9.045 29.291 -11.979 1.00 0.00 H new ATOM 0 HG1 THR A 92 9.228 27.292 -10.770 1.00 0.00 H new ATOM 0 HG21 THR A 92 11.123 28.671 -10.741 1.00 0.00 H new ATOM 0 HG22 THR A 92 10.849 30.429 -10.727 1.00 0.00 H new ATOM 0 HG23 THR A 92 10.475 29.459 -9.283 1.00 0.00 H new ATOM 1284 N GLY A 93 8.999 31.872 -12.078 1.00 0.00 N ATOM 1285 CA GLY A 93 9.451 33.106 -12.701 1.00 0.00 C ATOM 1286 C GLY A 93 8.409 33.543 -13.726 1.00 0.00 C ATOM 1287 O GLY A 93 8.744 34.092 -14.775 1.00 0.00 O ATOM 0 H GLY A 93 9.065 31.071 -12.706 1.00 0.00 H new ATOM 0 HA2 GLY A 93 9.589 33.882 -11.948 1.00 0.00 H new ATOM 0 HA3 GLY A 93 10.416 32.955 -13.184 1.00 0.00 H new ATOM 1291 N ALA A 94 7.137 33.276 -13.405 1.00 0.00 N ATOM 1292 CA ALA A 94 5.969 33.585 -14.205 1.00 0.00 C ATOM 1293 C ALA A 94 5.776 35.097 -14.330 1.00 0.00 C ATOM 1294 O ALA A 94 6.191 35.855 -13.455 1.00 0.00 O ATOM 1295 CB ALA A 94 4.772 32.935 -13.510 1.00 0.00 C ATOM 0 H ALA A 94 6.893 32.813 -12.530 1.00 0.00 H new ATOM 0 HA ALA A 94 6.082 33.201 -15.219 1.00 0.00 H new ATOM 0 HB1 ALA A 94 3.865 33.141 -14.078 1.00 0.00 H new ATOM 0 HB2 ALA A 94 4.926 31.858 -13.451 1.00 0.00 H new ATOM 0 HB3 ALA A 94 4.670 33.342 -12.504 1.00 0.00 H new ATOM 1301 N SER A 95 5.136 35.530 -15.422 1.00 0.00 N ATOM 1302 CA SER A 95 4.860 36.937 -15.691 1.00 0.00 C ATOM 1303 C SER A 95 3.726 37.485 -14.812 1.00 0.00 C ATOM 1304 O SER A 95 3.519 38.696 -14.770 1.00 0.00 O ATOM 1305 CB SER A 95 4.567 37.138 -17.183 1.00 0.00 C ATOM 1306 OG SER A 95 5.678 36.729 -17.955 1.00 0.00 O ATOM 0 H SER A 95 4.793 34.902 -16.149 1.00 0.00 H new ATOM 0 HA SER A 95 5.750 37.510 -15.431 1.00 0.00 H new ATOM 0 HB2 SER A 95 3.685 36.565 -17.469 1.00 0.00 H new ATOM 0 HB3 SER A 95 4.344 38.187 -17.380 1.00 0.00 H new ATOM 0 HG SER A 95 5.481 36.859 -18.906 1.00 0.00 H new ATOM 1312 N GLY A 96 2.991 36.606 -14.115 1.00 0.00 N ATOM 1313 CA GLY A 96 1.900 36.966 -13.229 1.00 0.00 C ATOM 1314 C GLY A 96 1.272 35.681 -12.694 1.00 0.00 C ATOM 1315 O GLY A 96 1.757 35.126 -11.709 1.00 0.00 O ATOM 0 H GLY A 96 3.152 35.600 -14.161 1.00 0.00 H new ATOM 0 HA2 GLY A 96 2.266 37.581 -12.407 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.157 37.558 -13.763 1.00 0.00 H new ATOM 1319 N ASN A 97 0.203 35.215 -13.354 1.00 0.00 N ATOM 1320 CA ASN A 97 -0.511 33.994 -12.998 1.00 0.00 C ATOM 1321 C ASN A 97 -0.142 32.856 -13.957 1.00 0.00 C ATOM 1322 O ASN A 97 -0.899 31.896 -14.098 1.00 0.00 O ATOM 1323 CB ASN A 97 -2.023 34.275 -12.982 1.00 0.00 C ATOM 1324 CG ASN A 97 -2.824 33.153 -12.316 1.00 0.00 C ATOM 1325 OD1 ASN A 97 -2.663 32.900 -11.124 1.00 0.00 O ATOM 1326 ND2 ASN A 97 -3.690 32.478 -13.077 1.00 0.00 N ATOM 0 H ASN A 97 -0.193 35.690 -14.165 1.00 0.00 H new ATOM 0 HA ASN A 97 -0.217 33.671 -11.999 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -2.209 35.211 -12.455 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -2.375 34.409 -14.005 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -4.245 31.724 -12.672 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -3.796 32.717 -14.063 1.00 0.00 H new ATOM 1333 N ASN A 98 1.024 32.945 -14.616 1.00 0.00 N ATOM 1334 CA ASN A 98 1.495 31.920 -15.540 1.00 0.00 C ATOM 1335 C ASN A 98 1.924 30.697 -14.724 1.00 0.00 C ATOM 1336 O ASN A 98 1.866 30.720 -13.494 1.00 0.00 O ATOM 1337 CB ASN A 98 2.621 32.443 -16.449 1.00 0.00 C ATOM 1338 CG ASN A 98 2.338 33.834 -17.017 1.00 0.00 C ATOM 1339 OD1 ASN A 98 2.272 34.809 -16.273 1.00 0.00 O ATOM 1340 ND2 ASN A 98 2.178 33.940 -18.338 1.00 0.00 N ATOM 0 H ASN A 98 1.663 33.734 -14.518 1.00 0.00 H new ATOM 0 HA ASN A 98 0.688 31.634 -16.214 1.00 0.00 H new ATOM 0 HB2 ASN A 98 3.552 32.471 -15.884 1.00 0.00 H new ATOM 0 HB3 ASN A 98 2.769 31.744 -17.272 1.00 0.00 H new ATOM 0 HD21 ASN A 98 1.995 34.851 -18.758 1.00 0.00 H new ATOM 0 HD22 ASN A 98 2.239 33.110 -18.927 1.00 0.00 H new ATOM 1347 N PHE A 99 2.368 29.627 -15.393 1.00 0.00 N ATOM 1348 CA PHE A 99 2.754 28.413 -14.693 1.00 0.00 C ATOM 1349 C PHE A 99 3.814 27.592 -15.418 1.00 0.00 C ATOM 1350 O PHE A 99 3.719 27.366 -16.622 1.00 0.00 O ATOM 1351 CB PHE A 99 1.515 27.506 -14.610 1.00 0.00 C ATOM 1352 CG PHE A 99 0.617 27.742 -13.423 1.00 0.00 C ATOM 1353 CD1 PHE A 99 0.903 27.076 -12.222 1.00 0.00 C ATOM 1354 CD2 PHE A 99 -0.494 28.600 -13.507 1.00 0.00 C ATOM 1355 CE1 PHE A 99 0.089 27.258 -11.098 1.00 0.00 C ATOM 1356 CE2 PHE A 99 -1.307 28.796 -12.379 1.00 0.00 C ATOM 1357 CZ PHE A 99 -1.012 28.123 -11.180 1.00 0.00 C ATOM 0 H PHE A 99 2.466 29.584 -16.407 1.00 0.00 H new ATOM 0 HA PHE A 99 3.155 28.726 -13.729 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.928 27.637 -15.519 1.00 0.00 H new ATOM 0 HB3 PHE A 99 1.847 26.468 -14.592 1.00 0.00 H new ATOM 0 HD1 PHE A 99 1.757 26.418 -12.164 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.721 29.105 -14.434 1.00 0.00 H new ATOM 0 HE1 PHE A 99 0.306 26.738 -10.177 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -2.156 29.461 -12.432 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.639 28.274 -10.314 1.00 0.00 H new ATOM 1367 N VAL A 100 4.818 27.160 -14.648 1.00 0.00 N ATOM 1368 CA VAL A 100 5.902 26.295 -15.086 1.00 0.00 C ATOM 1369 C VAL A 100 5.752 24.986 -14.308 1.00 0.00 C ATOM 1370 O VAL A 100 5.013 24.920 -13.327 1.00 0.00 O ATOM 1371 CB VAL A 100 7.292 26.920 -14.925 1.00 0.00 C ATOM 1372 CG1 VAL A 100 7.491 28.015 -15.972 1.00 0.00 C ATOM 1373 CG2 VAL A 100 7.559 27.448 -13.518 1.00 0.00 C ATOM 0 H VAL A 100 4.894 27.418 -13.664 1.00 0.00 H new ATOM 0 HA VAL A 100 5.827 26.122 -16.160 1.00 0.00 H new ATOM 0 HB VAL A 100 8.022 26.126 -15.085 1.00 0.00 H new ATOM 0 HG11 VAL A 100 8.481 28.456 -15.853 1.00 0.00 H new ATOM 0 HG12 VAL A 100 7.403 27.585 -16.970 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.732 28.786 -15.841 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.560 27.877 -13.474 1.00 0.00 H new ATOM 0 HG22 VAL A 100 6.825 28.215 -13.272 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.483 26.630 -12.802 1.00 0.00 H new ATOM 1383 N GLY A 101 6.463 23.945 -14.739 1.00 0.00 N ATOM 1384 CA GLY A 101 6.389 22.627 -14.128 1.00 0.00 C ATOM 1385 C GLY A 101 7.342 22.402 -12.953 1.00 0.00 C ATOM 1386 O GLY A 101 8.456 22.922 -12.955 1.00 0.00 O ATOM 0 H GLY A 101 7.109 23.997 -15.527 1.00 0.00 H new ATOM 0 HA2 GLY A 101 5.368 22.460 -13.785 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.596 21.877 -14.892 1.00 0.00 H new ATOM 1390 N CYS A 102 6.888 21.620 -11.956 1.00 0.00 N ATOM 1391 CA CYS A 102 7.660 21.259 -10.770 1.00 0.00 C ATOM 1392 C CYS A 102 8.297 19.877 -10.943 1.00 0.00 C ATOM 1393 O CYS A 102 8.057 19.224 -11.948 1.00 0.00 O ATOM 1394 CB CYS A 102 6.819 21.280 -9.500 1.00 0.00 C ATOM 1395 SG CYS A 102 5.914 22.790 -9.126 1.00 0.00 S ATOM 0 H CYS A 102 5.951 21.216 -11.960 1.00 0.00 H new ATOM 0 HA CYS A 102 8.441 22.012 -10.663 1.00 0.00 H new ATOM 0 HB2 CYS A 102 6.100 20.463 -9.560 1.00 0.00 H new ATOM 0 HB3 CYS A 102 7.477 21.065 -8.658 1.00 0.00 H new ATOM 1400 N SER A 103 9.087 19.406 -9.966 1.00 0.00 N ATOM 1401 CA SER A 103 9.805 18.128 -10.045 1.00 0.00 C ATOM 1402 C SER A 103 10.475 17.924 -11.416 1.00 0.00 C ATOM 1403 O SER A 103 10.430 16.832 -11.979 1.00 0.00 O ATOM 1404 CB SER A 103 8.900 16.939 -9.683 1.00 0.00 C ATOM 1405 OG SER A 103 9.670 15.770 -9.498 1.00 0.00 O ATOM 0 H SER A 103 9.246 19.907 -9.092 1.00 0.00 H new ATOM 0 HA SER A 103 10.600 18.172 -9.301 1.00 0.00 H new ATOM 0 HB2 SER A 103 8.343 17.162 -8.773 1.00 0.00 H new ATOM 0 HB3 SER A 103 8.168 16.778 -10.474 1.00 0.00 H new ATOM 0 HG SER A 103 10.221 15.612 -10.293 1.00 0.00 H new ATOM 1411 N GLY A 104 11.086 18.984 -11.959 1.00 0.00 N ATOM 1412 CA GLY A 104 11.757 18.974 -13.254 1.00 0.00 C ATOM 1413 C GLY A 104 10.809 18.771 -14.445 1.00 0.00 C ATOM 1414 O GLY A 104 11.221 18.216 -15.462 1.00 0.00 O ATOM 0 H GLY A 104 11.126 19.891 -11.495 1.00 0.00 H new ATOM 0 HA2 GLY A 104 12.290 19.916 -13.383 1.00 0.00 H new ATOM 0 HA3 GLY A 104 12.505 18.181 -13.258 1.00 0.00 H new ATOM 1418 N THR A 105 9.553 19.223 -14.330 1.00 0.00 N ATOM 1419 CA THR A 105 8.535 19.122 -15.373 1.00 0.00 C ATOM 1420 C THR A 105 8.656 20.326 -16.308 1.00 0.00 C ATOM 1421 O THR A 105 9.095 21.399 -15.896 1.00 0.00 O ATOM 1422 CB THR A 105 7.140 19.027 -14.728 1.00 0.00 C ATOM 1423 OG1 THR A 105 7.012 17.770 -14.094 1.00 0.00 O ATOM 1424 CG2 THR A 105 5.966 19.200 -15.690 1.00 0.00 C ATOM 0 H THR A 105 9.212 19.681 -13.484 1.00 0.00 H new ATOM 0 HA THR A 105 8.683 18.219 -15.965 1.00 0.00 H new ATOM 0 HB THR A 105 7.085 19.860 -14.028 1.00 0.00 H new ATOM 0 HG1 THR A 105 7.306 17.842 -13.162 1.00 0.00 H new ATOM 0 HG21 THR A 105 5.029 19.116 -15.139 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.024 20.181 -16.162 1.00 0.00 H new ATOM 0 HG23 THR A 105 6.007 18.426 -16.457 1.00 0.00 H new ATOM 1432 N ASN A 106 8.269 20.130 -17.573 1.00 0.00 N ATOM 1433 CA ASN A 106 8.305 21.150 -18.608 1.00 0.00 C ATOM 1434 C ASN A 106 7.258 20.807 -19.671 1.00 0.00 C ATOM 1435 O ASN A 106 6.064 20.825 -19.300 1.00 0.00 O ATOM 1436 CB ASN A 106 9.738 21.311 -19.152 1.00 0.00 C ATOM 1437 CG ASN A 106 10.371 19.998 -19.622 1.00 0.00 C ATOM 1438 OD1 ASN A 106 10.366 19.694 -20.813 1.00 0.00 O ATOM 1439 ND2 ASN A 106 10.930 19.220 -18.690 1.00 0.00 N ATOM 1440 OXT ASN A 106 7.641 20.627 -20.847 1.00 0.00 O ATOM 0 H ASN A 106 7.915 19.233 -17.906 1.00 0.00 H new ATOM 0 HA ASN A 106 8.041 22.129 -18.208 1.00 0.00 H new ATOM 0 HB2 ASN A 106 9.724 22.015 -19.984 1.00 0.00 H new ATOM 0 HB3 ASN A 106 10.365 21.748 -18.375 1.00 0.00 H new ATOM 0 HD21 ASN A 106 11.372 18.341 -18.958 1.00 0.00 H new ATOM 0 HD22 ASN A 106 10.915 19.506 -17.711 1.00 0.00 H new