USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 848 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 33 THR OG1 : rot -60:sc= 0.748 USER MOD Set 1.2: A 75 THR OG1 : rot 180:sc= 0.808 USER MOD Set 2.1: A 28 THR OG1 : rot -170:sc= 1.22 USER MOD Set 2.2: A 31 SER OG : rot 180:sc= 0.902 USER MOD Set 3.1: A 25 THR OG1 : rot -127:sc= 0.802 USER MOD Set 3.2: A 35 SER OG : rot 79:sc= 1.22 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 8 LYS NZ :NH3+ 176:sc=-0.00317 (180deg=-0.0363) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.638) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.327! X(o=-0.33!,f=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0231 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -141:sc= 1.27 USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.461 K(o=-0.46,f=-2.7!) USER MOD Single : A 61 SER OG : rot 19:sc= 1.21 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.091) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.0698 K(o=-0.07,f=-0.77) USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot -118:sc= 0.229 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= 1.33 K(o=1.3,f=-6.8!) USER MOD Single : A 83 THR OG1 : rot 80:sc= 1.22 USER MOD Single : A 85 TYR OH : rot 180:sc= 0.473 USER MOD Single : A 88 MET CE :methyl -149:sc= 0 (180deg=-0.953) USER MOD Single : A 93 ASN : amide:sc= 0.414 K(o=0.41,f=-8.8!) USER MOD Single : A 95 GLN : amide:sc= 0.825 K(o=0.83,f=0) USER MOD Single : A 98 SER OG : rot 70:sc= 1.93 USER MOD Single : A 101 SER OG : rot -83:sc= 1.65 USER MOD Single : A 103 MET CE :methyl -178:sc= 0 (180deg=-0.0131) USER MOD Single : A 104 SER OG : rot 69:sc= 1 USER MOD Single : A 109 THR OG1 : rot -172:sc= 1.64 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 112 SER OG : rot -36:sc= 0.00204 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 52:sc= 0.0576 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.663 15.508 16.467 1.00 0.00 N ATOM 2 CA GLY A 1 17.402 16.498 15.417 1.00 0.00 C ATOM 3 C GLY A 1 18.681 16.791 14.661 1.00 0.00 C ATOM 4 O GLY A 1 19.590 17.417 15.208 1.00 0.00 O ATOM 0 H1 GLY A 1 16.782 15.310 16.984 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.017 14.630 16.036 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.375 15.881 17.127 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.641 16.124 14.732 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.011 17.415 15.858 1.00 0.00 H new ATOM 8 N SER A 2 18.765 16.325 13.415 1.00 0.00 N ATOM 9 CA SER A 2 19.917 16.465 12.536 1.00 0.00 C ATOM 10 C SER A 2 19.457 16.324 11.081 1.00 0.00 C ATOM 11 O SER A 2 18.445 15.663 10.822 1.00 0.00 O ATOM 12 CB SER A 2 20.934 15.368 12.894 1.00 0.00 C ATOM 13 OG SER A 2 20.344 14.070 12.835 1.00 0.00 O ATOM 0 H SER A 2 17.997 15.818 12.975 1.00 0.00 H new ATOM 0 HA SER A 2 20.384 17.442 12.658 1.00 0.00 H new ATOM 0 HB2 SER A 2 21.780 15.416 12.208 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.326 15.546 13.896 1.00 0.00 H new ATOM 0 HG SER A 2 21.016 13.395 13.066 1.00 0.00 H new ATOM 19 N SER A 3 20.237 16.832 10.131 1.00 0.00 N ATOM 20 CA SER A 3 20.105 16.591 8.696 1.00 0.00 C ATOM 21 C SER A 3 21.431 16.991 8.032 1.00 0.00 C ATOM 22 O SER A 3 22.411 17.224 8.742 1.00 0.00 O ATOM 23 CB SER A 3 18.890 17.360 8.148 1.00 0.00 C ATOM 24 OG SER A 3 18.861 18.706 8.590 1.00 0.00 O ATOM 0 H SER A 3 21.016 17.453 10.351 1.00 0.00 H new ATOM 0 HA SER A 3 19.919 15.540 8.476 1.00 0.00 H new ATOM 0 HB2 SER A 3 18.910 17.338 7.058 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.974 16.858 8.460 1.00 0.00 H new ATOM 0 HG SER A 3 18.075 19.156 8.217 1.00 0.00 H new ATOM 30 N GLY A 4 21.484 17.051 6.696 1.00 0.00 N ATOM 31 CA GLY A 4 22.556 17.738 5.980 1.00 0.00 C ATOM 32 C GLY A 4 23.925 17.064 6.063 1.00 0.00 C ATOM 33 O GLY A 4 24.920 17.703 5.740 1.00 0.00 O ATOM 0 H GLY A 4 20.786 16.625 6.086 1.00 0.00 H new ATOM 0 HA2 GLY A 4 22.274 17.825 4.931 1.00 0.00 H new ATOM 0 HA3 GLY A 4 22.643 18.751 6.372 1.00 0.00 H new ATOM 37 N SER A 5 24.002 15.797 6.477 1.00 0.00 N ATOM 38 CA SER A 5 25.245 15.040 6.543 1.00 0.00 C ATOM 39 C SER A 5 24.994 13.627 6.013 1.00 0.00 C ATOM 40 O SER A 5 23.846 13.238 5.778 1.00 0.00 O ATOM 41 CB SER A 5 25.768 15.074 7.985 1.00 0.00 C ATOM 42 OG SER A 5 27.080 14.551 8.050 1.00 0.00 O ATOM 0 H SER A 5 23.187 15.264 6.780 1.00 0.00 H new ATOM 0 HA SER A 5 26.021 15.478 5.915 1.00 0.00 H new ATOM 0 HB2 SER A 5 25.760 16.099 8.357 1.00 0.00 H new ATOM 0 HB3 SER A 5 25.108 14.496 8.631 1.00 0.00 H new ATOM 0 HG SER A 5 27.399 14.582 8.976 1.00 0.00 H new ATOM 48 N SER A 6 26.063 12.866 5.791 1.00 0.00 N ATOM 49 CA SER A 6 26.003 11.514 5.265 1.00 0.00 C ATOM 50 C SER A 6 25.604 10.572 6.405 1.00 0.00 C ATOM 51 O SER A 6 26.439 10.216 7.234 1.00 0.00 O ATOM 52 CB SER A 6 27.359 11.155 4.638 1.00 0.00 C ATOM 53 OG SER A 6 27.224 10.094 3.712 1.00 0.00 O ATOM 0 H SER A 6 27.014 13.184 5.978 1.00 0.00 H new ATOM 0 HA SER A 6 25.255 11.421 4.478 1.00 0.00 H new ATOM 0 HB2 SER A 6 27.775 12.029 4.137 1.00 0.00 H new ATOM 0 HB3 SER A 6 28.062 10.872 5.421 1.00 0.00 H new ATOM 0 HG SER A 6 28.100 9.884 3.325 1.00 0.00 H new ATOM 59 N GLY A 7 24.329 10.183 6.472 1.00 0.00 N ATOM 60 CA GLY A 7 23.838 9.273 7.497 1.00 0.00 C ATOM 61 C GLY A 7 22.476 8.726 7.106 1.00 0.00 C ATOM 62 O GLY A 7 21.446 9.278 7.509 1.00 0.00 O ATOM 0 H GLY A 7 23.612 10.492 5.816 1.00 0.00 H new ATOM 0 HA2 GLY A 7 24.542 8.452 7.632 1.00 0.00 H new ATOM 0 HA3 GLY A 7 23.768 9.793 8.452 1.00 0.00 H new ATOM 66 N LYS A 8 22.454 7.676 6.284 1.00 0.00 N ATOM 67 CA LYS A 8 21.284 6.826 6.098 1.00 0.00 C ATOM 68 C LYS A 8 21.744 5.389 6.299 1.00 0.00 C ATOM 69 O LYS A 8 22.925 5.087 6.111 1.00 0.00 O ATOM 70 CB LYS A 8 20.573 7.051 4.746 1.00 0.00 C ATOM 71 CG LYS A 8 21.386 6.737 3.473 1.00 0.00 C ATOM 72 CD LYS A 8 22.098 7.968 2.885 1.00 0.00 C ATOM 73 CE LYS A 8 22.979 7.624 1.673 1.00 0.00 C ATOM 74 NZ LYS A 8 22.226 6.990 0.573 1.00 0.00 N ATOM 0 H LYS A 8 23.258 7.391 5.724 1.00 0.00 H new ATOM 0 HA LYS A 8 20.518 7.082 6.830 1.00 0.00 H new ATOM 0 HB2 LYS A 8 19.670 6.441 4.731 1.00 0.00 H new ATOM 0 HB3 LYS A 8 20.255 8.093 4.698 1.00 0.00 H new ATOM 0 HG2 LYS A 8 22.128 5.973 3.704 1.00 0.00 H new ATOM 0 HG3 LYS A 8 20.720 6.317 2.719 1.00 0.00 H new ATOM 0 HD2 LYS A 8 21.353 8.706 2.589 1.00 0.00 H new ATOM 0 HD3 LYS A 8 22.714 8.429 3.657 1.00 0.00 H new ATOM 0 HE2 LYS A 8 23.452 8.534 1.305 1.00 0.00 H new ATOM 0 HE3 LYS A 8 23.779 6.955 1.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 22.857 6.843 -0.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 21.853 6.073 0.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 21.437 7.606 0.292 1.00 0.00 H new ATOM 88 N ASN A 9 20.814 4.516 6.665 1.00 0.00 N ATOM 89 CA ASN A 9 21.086 3.146 7.054 1.00 0.00 C ATOM 90 C ASN A 9 20.313 2.286 6.074 1.00 0.00 C ATOM 91 O ASN A 9 19.099 2.146 6.214 1.00 0.00 O ATOM 92 CB ASN A 9 20.676 2.913 8.518 1.00 0.00 C ATOM 93 CG ASN A 9 21.855 2.460 9.357 1.00 0.00 C ATOM 94 OD1 ASN A 9 22.541 3.284 9.956 1.00 0.00 O ATOM 95 ND2 ASN A 9 22.110 1.165 9.396 1.00 0.00 N ATOM 0 H ASN A 9 19.822 4.753 6.699 1.00 0.00 H new ATOM 0 HA ASN A 9 22.146 2.897 7.013 1.00 0.00 H new ATOM 0 HB2 ASN A 9 20.264 3.833 8.933 1.00 0.00 H new ATOM 0 HB3 ASN A 9 19.887 2.162 8.561 1.00 0.00 H new ATOM 0 HD21 ASN A 9 22.901 0.817 9.938 1.00 0.00 H new ATOM 0 HD22 ASN A 9 21.516 0.513 8.884 1.00 0.00 H new ATOM 102 N TYR A 10 21.004 1.784 5.045 1.00 0.00 N ATOM 103 CA TYR A 10 20.377 1.284 3.820 1.00 0.00 C ATOM 104 C TYR A 10 19.519 2.394 3.179 1.00 0.00 C ATOM 105 O TYR A 10 19.647 3.568 3.543 1.00 0.00 O ATOM 106 CB TYR A 10 19.621 -0.028 4.115 1.00 0.00 C ATOM 107 CG TYR A 10 19.575 -1.022 2.970 1.00 0.00 C ATOM 108 CD1 TYR A 10 20.687 -1.850 2.720 1.00 0.00 C ATOM 109 CD2 TYR A 10 18.413 -1.160 2.190 1.00 0.00 C ATOM 110 CE1 TYR A 10 20.635 -2.836 1.720 1.00 0.00 C ATOM 111 CE2 TYR A 10 18.366 -2.119 1.164 1.00 0.00 C ATOM 112 CZ TYR A 10 19.459 -2.986 0.955 1.00 0.00 C ATOM 113 OH TYR A 10 19.364 -3.955 0.008 1.00 0.00 O ATOM 0 H TYR A 10 22.022 1.713 5.040 1.00 0.00 H new ATOM 0 HA TYR A 10 21.130 1.027 3.074 1.00 0.00 H new ATOM 0 HB2 TYR A 10 20.086 -0.511 4.975 1.00 0.00 H new ATOM 0 HB3 TYR A 10 18.599 0.218 4.402 1.00 0.00 H new ATOM 0 HD1 TYR A 10 21.588 -1.726 3.302 1.00 0.00 H new ATOM 0 HD2 TYR A 10 17.557 -0.529 2.379 1.00 0.00 H new ATOM 0 HE1 TYR A 10 21.488 -3.473 1.539 1.00 0.00 H new ATOM 0 HE2 TYR A 10 17.492 -2.192 0.534 1.00 0.00 H new ATOM 0 HH TYR A 10 18.483 -3.910 -0.418 1.00 0.00 H new ATOM 123 N ASP A 11 18.692 2.053 2.185 1.00 0.00 N ATOM 124 CA ASP A 11 17.652 2.959 1.700 1.00 0.00 C ATOM 125 C ASP A 11 16.348 2.655 2.413 1.00 0.00 C ATOM 126 O ASP A 11 16.038 1.511 2.749 1.00 0.00 O ATOM 127 CB ASP A 11 17.440 2.871 0.180 1.00 0.00 C ATOM 128 CG ASP A 11 18.303 3.882 -0.572 1.00 0.00 C ATOM 129 OD1 ASP A 11 18.389 5.052 -0.127 1.00 0.00 O ATOM 130 OD2 ASP A 11 18.972 3.494 -1.555 1.00 0.00 O ATOM 0 H ASP A 11 18.725 1.155 1.702 1.00 0.00 H new ATOM 0 HA ASP A 11 17.983 3.975 1.917 1.00 0.00 H new ATOM 0 HB2 ASP A 11 17.678 1.864 -0.163 1.00 0.00 H new ATOM 0 HB3 ASP A 11 16.389 3.047 -0.051 1.00 0.00 H new ATOM 135 N LEU A 12 15.548 3.701 2.590 1.00 0.00 N ATOM 136 CA LEU A 12 14.374 3.736 3.455 1.00 0.00 C ATOM 137 C LEU A 12 13.124 3.127 2.795 1.00 0.00 C ATOM 138 O LEU A 12 12.015 3.497 3.182 1.00 0.00 O ATOM 139 CB LEU A 12 14.138 5.188 3.929 1.00 0.00 C ATOM 140 CG LEU A 12 15.322 5.834 4.680 1.00 0.00 C ATOM 141 CD1 LEU A 12 14.919 7.234 5.158 1.00 0.00 C ATOM 142 CD2 LEU A 12 15.778 5.008 5.888 1.00 0.00 C ATOM 0 H LEU A 12 15.708 4.588 2.113 1.00 0.00 H new ATOM 0 HA LEU A 12 14.568 3.105 4.323 1.00 0.00 H new ATOM 0 HB2 LEU A 12 13.900 5.803 3.061 1.00 0.00 H new ATOM 0 HB3 LEU A 12 13.264 5.203 4.580 1.00 0.00 H new ATOM 0 HG LEU A 12 16.157 5.884 3.981 1.00 0.00 H new ATOM 0 HD11 LEU A 12 15.754 7.692 5.689 1.00 0.00 H new ATOM 0 HD12 LEU A 12 14.654 7.850 4.298 1.00 0.00 H new ATOM 0 HD13 LEU A 12 14.062 7.157 5.827 1.00 0.00 H new ATOM 0 HD21 LEU A 12 16.613 5.510 6.378 1.00 0.00 H new ATOM 0 HD22 LEU A 12 14.952 4.906 6.592 1.00 0.00 H new ATOM 0 HD23 LEU A 12 16.094 4.020 5.555 1.00 0.00 H new ATOM 154 N SER A 13 13.318 2.205 1.840 1.00 0.00 N ATOM 155 CA SER A 13 12.400 1.345 1.088 1.00 0.00 C ATOM 156 C SER A 13 12.558 1.591 -0.418 1.00 0.00 C ATOM 157 O SER A 13 12.857 2.707 -0.867 1.00 0.00 O ATOM 158 CB SER A 13 10.948 1.492 1.559 1.00 0.00 C ATOM 159 OG SER A 13 10.076 0.502 1.049 1.00 0.00 O ATOM 0 H SER A 13 14.274 2.021 1.534 1.00 0.00 H new ATOM 0 HA SER A 13 12.668 0.307 1.287 1.00 0.00 H new ATOM 0 HB2 SER A 13 10.925 1.456 2.648 1.00 0.00 H new ATOM 0 HB3 SER A 13 10.579 2.474 1.264 1.00 0.00 H new ATOM 0 HG SER A 13 9.171 0.656 1.391 1.00 0.00 H new ATOM 165 N ASP A 14 12.352 0.529 -1.202 1.00 0.00 N ATOM 166 CA ASP A 14 12.179 0.604 -2.646 1.00 0.00 C ATOM 167 C ASP A 14 10.767 1.101 -2.956 1.00 0.00 C ATOM 168 O ASP A 14 10.588 1.896 -3.883 1.00 0.00 O ATOM 169 CB ASP A 14 12.381 -0.755 -3.344 1.00 0.00 C ATOM 170 CG ASP A 14 13.801 -1.310 -3.283 1.00 0.00 C ATOM 171 OD1 ASP A 14 14.745 -0.585 -3.668 1.00 0.00 O ATOM 172 OD2 ASP A 14 13.943 -2.515 -2.960 1.00 0.00 O ATOM 0 H ASP A 14 12.301 -0.423 -0.839 1.00 0.00 H new ATOM 0 HA ASP A 14 12.938 1.289 -3.024 1.00 0.00 H new ATOM 0 HB2 ASP A 14 11.704 -1.481 -2.894 1.00 0.00 H new ATOM 0 HB3 ASP A 14 12.091 -0.655 -4.390 1.00 0.00 H new ATOM 177 N LEU A 15 9.774 0.578 -2.227 1.00 0.00 N ATOM 178 CA LEU A 15 8.338 0.746 -2.453 1.00 0.00 C ATOM 179 C LEU A 15 7.849 2.100 -1.924 1.00 0.00 C ATOM 180 O LEU A 15 8.504 2.683 -1.056 1.00 0.00 O ATOM 181 CB LEU A 15 7.583 -0.399 -1.741 1.00 0.00 C ATOM 182 CG LEU A 15 7.639 -1.754 -2.472 1.00 0.00 C ATOM 183 CD1 LEU A 15 7.071 -2.848 -1.572 1.00 0.00 C ATOM 184 CD2 LEU A 15 6.823 -1.773 -3.769 1.00 0.00 C ATOM 0 H LEU A 15 9.966 -0.009 -1.415 1.00 0.00 H new ATOM 0 HA LEU A 15 8.144 0.716 -3.525 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.997 -0.523 -0.740 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.539 -0.109 -1.620 1.00 0.00 H new ATOM 0 HG LEU A 15 8.688 -1.922 -2.715 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.112 -3.805 -2.092 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.659 -2.907 -0.656 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.036 -2.614 -1.324 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.904 -2.755 -4.235 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.777 -1.563 -3.544 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.207 -1.015 -4.451 1.00 0.00 H new ATOM 196 N PRO A 16 6.696 2.603 -2.404 1.00 0.00 N ATOM 197 CA PRO A 16 6.051 3.772 -1.834 1.00 0.00 C ATOM 198 C PRO A 16 5.375 3.398 -0.508 1.00 0.00 C ATOM 199 O PRO A 16 4.928 2.263 -0.323 1.00 0.00 O ATOM 200 CB PRO A 16 5.044 4.237 -2.888 1.00 0.00 C ATOM 201 CG PRO A 16 4.756 3.007 -3.751 1.00 0.00 C ATOM 202 CD PRO A 16 5.831 1.985 -3.394 1.00 0.00 C ATOM 0 HA PRO A 16 6.754 4.572 -1.601 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.133 4.611 -2.422 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.452 5.050 -3.488 1.00 0.00 H new ATOM 0 HG2 PRO A 16 3.760 2.613 -3.549 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.791 3.257 -4.811 1.00 0.00 H new ATOM 0 HD2 PRO A 16 5.381 1.075 -2.998 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.400 1.700 -4.279 1.00 0.00 H new ATOM 210 N GLY A 17 5.285 4.366 0.401 1.00 0.00 N ATOM 211 CA GLY A 17 4.787 4.199 1.749 1.00 0.00 C ATOM 212 C GLY A 17 3.270 3.995 1.789 1.00 0.00 C ATOM 213 O GLY A 17 2.557 4.395 0.863 1.00 0.00 O ATOM 0 H GLY A 17 5.571 5.325 0.202 1.00 0.00 H new ATOM 0 HA2 GLY A 17 5.278 3.343 2.212 1.00 0.00 H new ATOM 0 HA3 GLY A 17 5.049 5.076 2.342 1.00 0.00 H new ATOM 217 N PRO A 18 2.751 3.423 2.888 1.00 0.00 N ATOM 218 CA PRO A 18 1.325 3.220 3.080 1.00 0.00 C ATOM 219 C PRO A 18 0.619 4.583 3.228 1.00 0.00 C ATOM 220 O PRO A 18 1.000 5.366 4.107 1.00 0.00 O ATOM 221 CB PRO A 18 1.188 2.343 4.326 1.00 0.00 C ATOM 222 CG PRO A 18 2.493 2.554 5.091 1.00 0.00 C ATOM 223 CD PRO A 18 3.514 2.918 4.016 1.00 0.00 C ATOM 0 HA PRO A 18 0.851 2.728 2.230 1.00 0.00 H new ATOM 0 HB2 PRO A 18 0.326 2.637 4.925 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.049 1.295 4.060 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.395 3.349 5.830 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.788 1.653 5.629 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.213 3.670 4.382 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.104 2.048 3.729 1.00 0.00 H new ATOM 231 N PRO A 19 -0.399 4.890 2.400 1.00 0.00 N ATOM 232 CA PRO A 19 -1.117 6.161 2.468 1.00 0.00 C ATOM 233 C PRO A 19 -1.840 6.355 3.808 1.00 0.00 C ATOM 234 O PRO A 19 -2.042 5.405 4.571 1.00 0.00 O ATOM 235 CB PRO A 19 -2.095 6.182 1.286 1.00 0.00 C ATOM 236 CG PRO A 19 -2.068 4.773 0.689 1.00 0.00 C ATOM 237 CD PRO A 19 -0.908 4.034 1.341 1.00 0.00 C ATOM 0 HA PRO A 19 -0.414 6.992 2.404 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.100 6.446 1.616 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.797 6.925 0.546 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.009 4.256 0.878 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.939 4.815 -0.393 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.239 3.077 1.744 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -0.128 3.820 0.610 1.00 0.00 H new ATOM 245 N SER A 20 -2.270 7.589 4.076 1.00 0.00 N ATOM 246 CA SER A 20 -3.000 7.922 5.292 1.00 0.00 C ATOM 247 C SER A 20 -4.408 7.316 5.258 1.00 0.00 C ATOM 248 O SER A 20 -4.918 6.954 4.195 1.00 0.00 O ATOM 249 CB SER A 20 -3.023 9.449 5.442 1.00 0.00 C ATOM 250 OG SER A 20 -1.770 9.847 5.968 1.00 0.00 O ATOM 0 H SER A 20 -2.120 8.383 3.454 1.00 0.00 H new ATOM 0 HA SER A 20 -2.504 7.496 6.164 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.202 9.926 4.478 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.832 9.756 6.105 1.00 0.00 H new ATOM 0 HG SER A 20 -1.754 10.821 6.074 1.00 0.00 H new ATOM 256 N LYS A 21 -5.051 7.220 6.430 1.00 0.00 N ATOM 257 CA LYS A 21 -6.394 6.661 6.566 1.00 0.00 C ATOM 258 C LYS A 21 -7.365 7.423 5.657 1.00 0.00 C ATOM 259 O LYS A 21 -7.513 8.631 5.877 1.00 0.00 O ATOM 260 CB LYS A 21 -6.856 6.743 8.032 1.00 0.00 C ATOM 261 CG LYS A 21 -8.235 6.090 8.235 1.00 0.00 C ATOM 262 CD LYS A 21 -8.674 6.180 9.698 1.00 0.00 C ATOM 263 CE LYS A 21 -10.098 5.661 9.904 1.00 0.00 C ATOM 264 NZ LYS A 21 -10.877 6.477 10.860 1.00 0.00 N ATOM 0 H LYS A 21 -4.647 7.531 7.313 1.00 0.00 H new ATOM 0 HA LYS A 21 -6.378 5.613 6.267 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.123 6.251 8.672 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.899 7.787 8.341 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.971 6.582 7.600 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.196 5.045 7.927 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.986 5.606 10.319 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.614 7.216 10.031 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.615 5.643 8.944 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.056 4.633 10.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.476 5.855 11.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.227 7.005 11.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -11.477 7.146 10.337 1.00 0.00 H new ATOM 278 N PRO A 22 -8.067 6.769 4.712 1.00 0.00 N ATOM 279 CA PRO A 22 -9.063 7.444 3.902 1.00 0.00 C ATOM 280 C PRO A 22 -10.194 7.993 4.766 1.00 0.00 C ATOM 281 O PRO A 22 -10.652 7.351 5.720 1.00 0.00 O ATOM 282 CB PRO A 22 -9.588 6.426 2.884 1.00 0.00 C ATOM 283 CG PRO A 22 -9.208 5.082 3.503 1.00 0.00 C ATOM 284 CD PRO A 22 -7.955 5.373 4.322 1.00 0.00 C ATOM 0 HA PRO A 22 -8.622 8.299 3.390 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -10.666 6.515 2.745 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -9.128 6.562 1.905 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -10.010 4.694 4.131 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -9.014 4.333 2.735 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -7.897 4.724 5.196 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -7.053 5.200 3.736 1.00 0.00 H new ATOM 292 N GLN A 23 -10.681 9.167 4.380 1.00 0.00 N ATOM 293 CA GLN A 23 -11.815 9.847 4.991 1.00 0.00 C ATOM 294 C GLN A 23 -12.882 10.104 3.959 1.00 0.00 C ATOM 295 O GLN A 23 -12.614 10.556 2.843 1.00 0.00 O ATOM 296 CB GLN A 23 -11.396 11.150 5.680 1.00 0.00 C ATOM 297 CG GLN A 23 -10.416 10.784 6.793 1.00 0.00 C ATOM 298 CD GLN A 23 -10.634 11.542 8.092 1.00 0.00 C ATOM 299 OE1 GLN A 23 -10.225 12.688 8.235 1.00 0.00 O ATOM 300 NE2 GLN A 23 -11.204 10.886 9.088 1.00 0.00 N ATOM 0 H GLN A 23 -10.280 9.691 3.602 1.00 0.00 H new ATOM 0 HA GLN A 23 -12.220 9.193 5.763 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -10.930 11.829 4.966 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -12.266 11.665 6.088 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -10.493 9.715 6.992 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -9.401 10.970 6.443 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -11.537 9.932 8.946 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -11.311 11.333 9.998 1.00 0.00 H new ATOM 309 N VAL A 24 -14.097 9.752 4.342 1.00 0.00 N ATOM 310 CA VAL A 24 -15.260 9.820 3.527 1.00 0.00 C ATOM 311 C VAL A 24 -15.776 11.258 3.511 1.00 0.00 C ATOM 312 O VAL A 24 -15.731 11.972 4.522 1.00 0.00 O ATOM 313 CB VAL A 24 -16.242 8.779 4.076 1.00 0.00 C ATOM 314 CG1 VAL A 24 -15.569 7.456 4.482 1.00 0.00 C ATOM 315 CG2 VAL A 24 -17.150 9.262 5.210 1.00 0.00 C ATOM 0 H VAL A 24 -14.290 9.396 5.278 1.00 0.00 H new ATOM 0 HA VAL A 24 -15.078 9.577 2.480 1.00 0.00 H new ATOM 0 HB VAL A 24 -16.887 8.599 3.216 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -16.323 6.766 4.862 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -15.078 7.016 3.614 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -14.829 7.648 5.259 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -17.804 8.449 5.524 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -16.539 9.582 6.054 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -17.754 10.099 4.861 1.00 0.00 H new ATOM 325 N THR A 25 -16.256 11.688 2.356 1.00 0.00 N ATOM 326 CA THR A 25 -16.518 13.104 2.080 1.00 0.00 C ATOM 327 C THR A 25 -17.853 13.306 1.393 1.00 0.00 C ATOM 328 O THR A 25 -18.642 14.161 1.796 1.00 0.00 O ATOM 329 CB THR A 25 -15.356 13.665 1.253 1.00 0.00 C ATOM 330 OG1 THR A 25 -14.896 12.725 0.295 1.00 0.00 O ATOM 331 CG2 THR A 25 -14.226 13.958 2.221 1.00 0.00 C ATOM 0 H THR A 25 -16.478 11.069 1.577 1.00 0.00 H new ATOM 0 HA THR A 25 -16.583 13.649 3.021 1.00 0.00 H new ATOM 0 HB THR A 25 -15.687 14.555 0.718 1.00 0.00 H new ATOM 0 HG1 THR A 25 -13.928 12.608 0.390 1.00 0.00 H new ATOM 0 HG21 THR A 25 -13.374 14.361 1.674 1.00 0.00 H new ATOM 0 HG22 THR A 25 -14.560 14.686 2.960 1.00 0.00 H new ATOM 0 HG23 THR A 25 -13.931 13.038 2.725 1.00 0.00 H new ATOM 339 N ASP A 26 -18.159 12.448 0.438 1.00 0.00 N ATOM 340 CA ASP A 26 -19.494 12.284 -0.142 1.00 0.00 C ATOM 341 C ASP A 26 -19.925 10.832 0.043 1.00 0.00 C ATOM 342 O ASP A 26 -19.079 9.945 -0.037 1.00 0.00 O ATOM 343 CB ASP A 26 -19.472 12.664 -1.624 1.00 0.00 C ATOM 344 CG ASP A 26 -20.809 12.379 -2.304 1.00 0.00 C ATOM 345 OD1 ASP A 26 -21.020 11.239 -2.766 1.00 0.00 O ATOM 346 OD2 ASP A 26 -21.639 13.311 -2.405 1.00 0.00 O ATOM 0 H ASP A 26 -17.468 11.822 0.026 1.00 0.00 H new ATOM 0 HA ASP A 26 -20.207 12.939 0.358 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -19.232 13.723 -1.724 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -18.682 12.109 -2.130 1.00 0.00 H new ATOM 351 N VAL A 27 -21.210 10.568 0.266 1.00 0.00 N ATOM 352 CA VAL A 27 -21.794 9.235 0.236 1.00 0.00 C ATOM 353 C VAL A 27 -23.176 9.336 -0.413 1.00 0.00 C ATOM 354 O VAL A 27 -23.824 10.381 -0.323 1.00 0.00 O ATOM 355 CB VAL A 27 -21.781 8.639 1.659 1.00 0.00 C ATOM 356 CG1 VAL A 27 -22.620 9.446 2.660 1.00 0.00 C ATOM 357 CG2 VAL A 27 -22.240 7.175 1.670 1.00 0.00 C ATOM 0 H VAL A 27 -21.890 11.298 0.478 1.00 0.00 H new ATOM 0 HA VAL A 27 -21.216 8.538 -0.371 1.00 0.00 H new ATOM 0 HB VAL A 27 -20.740 8.690 1.980 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -22.569 8.974 3.641 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -22.231 10.462 2.725 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -23.657 9.476 2.325 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -22.216 6.794 2.691 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -23.256 7.109 1.282 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -21.574 6.580 1.045 1.00 0.00 H new ATOM 367 N THR A 28 -23.639 8.264 -1.065 1.00 0.00 N ATOM 368 CA THR A 28 -24.833 8.374 -1.928 1.00 0.00 C ATOM 369 C THR A 28 -25.961 7.405 -1.614 1.00 0.00 C ATOM 370 O THR A 28 -27.119 7.796 -1.690 1.00 0.00 O ATOM 371 CB THR A 28 -24.432 8.209 -3.400 1.00 0.00 C ATOM 372 OG1 THR A 28 -24.034 6.868 -3.635 1.00 0.00 O ATOM 373 CG2 THR A 28 -23.288 9.132 -3.817 1.00 0.00 C ATOM 0 H THR A 28 -23.224 7.333 -1.019 1.00 0.00 H new ATOM 0 HA THR A 28 -25.230 9.368 -1.724 1.00 0.00 H new ATOM 0 HB THR A 28 -25.307 8.475 -3.993 1.00 0.00 H new ATOM 0 HG1 THR A 28 -23.623 6.799 -4.522 1.00 0.00 H new ATOM 0 HG21 THR A 28 -23.052 8.967 -4.868 1.00 0.00 H new ATOM 0 HG22 THR A 28 -23.586 10.170 -3.671 1.00 0.00 H new ATOM 0 HG23 THR A 28 -22.408 8.918 -3.210 1.00 0.00 H new ATOM 381 N LYS A 29 -25.596 6.145 -1.356 1.00 0.00 N ATOM 382 CA LYS A 29 -26.338 4.905 -1.116 1.00 0.00 C ATOM 383 C LYS A 29 -25.598 3.719 -1.745 1.00 0.00 C ATOM 384 O LYS A 29 -25.784 2.586 -1.322 1.00 0.00 O ATOM 385 CB LYS A 29 -27.767 4.959 -1.677 1.00 0.00 C ATOM 386 CG LYS A 29 -27.771 4.897 -3.214 1.00 0.00 C ATOM 387 CD LYS A 29 -28.722 5.832 -3.939 1.00 0.00 C ATOM 388 CE LYS A 29 -28.711 5.432 -5.415 1.00 0.00 C ATOM 389 NZ LYS A 29 -28.703 6.604 -6.313 1.00 0.00 N ATOM 0 H LYS A 29 -24.598 5.943 -1.303 1.00 0.00 H new ATOM 0 HA LYS A 29 -26.406 4.781 -0.035 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -28.348 4.128 -1.277 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -28.254 5.877 -1.347 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -26.760 5.104 -3.564 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -28.008 3.875 -3.511 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -29.728 5.753 -3.527 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -28.408 6.869 -3.819 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -27.834 4.817 -5.616 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -29.586 4.819 -5.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -28.696 6.283 -7.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -29.553 7.179 -6.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -27.855 7.177 -6.129 1.00 0.00 H new ATOM 403 N ASN A 30 -24.821 3.942 -2.809 1.00 0.00 N ATOM 404 CA ASN A 30 -24.153 2.920 -3.620 1.00 0.00 C ATOM 405 C ASN A 30 -22.736 3.379 -3.978 1.00 0.00 C ATOM 406 O ASN A 30 -21.984 2.620 -4.587 1.00 0.00 O ATOM 407 CB ASN A 30 -24.895 2.671 -4.945 1.00 0.00 C ATOM 408 CG ASN A 30 -26.120 1.765 -4.925 1.00 0.00 C ATOM 409 OD1 ASN A 30 -26.515 1.265 -5.974 1.00 0.00 O ATOM 410 ND2 ASN A 30 -26.805 1.567 -3.815 1.00 0.00 N ATOM 0 H ASN A 30 -24.632 4.886 -3.144 1.00 0.00 H new ATOM 0 HA ASN A 30 -24.139 2.005 -3.027 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -25.203 3.639 -5.341 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -24.181 2.250 -5.652 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -27.654 1.003 -3.834 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -26.485 1.978 -2.938 1.00 0.00 H new ATOM 417 N SER A 31 -22.375 4.604 -3.615 1.00 0.00 N ATOM 418 CA SER A 31 -21.125 5.261 -3.912 1.00 0.00 C ATOM 419 C SER A 31 -20.691 5.988 -2.640 1.00 0.00 C ATOM 420 O SER A 31 -21.534 6.331 -1.798 1.00 0.00 O ATOM 421 CB SER A 31 -21.276 6.266 -5.085 1.00 0.00 C ATOM 422 OG SER A 31 -22.495 6.167 -5.816 1.00 0.00 O ATOM 0 H SER A 31 -22.997 5.199 -3.068 1.00 0.00 H new ATOM 0 HA SER A 31 -20.380 4.528 -4.222 1.00 0.00 H new ATOM 0 HB2 SER A 31 -21.190 7.278 -4.689 1.00 0.00 H new ATOM 0 HB3 SER A 31 -20.445 6.122 -5.775 1.00 0.00 H new ATOM 0 HG SER A 31 -22.503 6.837 -6.531 1.00 0.00 H new ATOM 428 N VAL A 32 -19.394 6.244 -2.517 1.00 0.00 N ATOM 429 CA VAL A 32 -18.805 7.057 -1.465 1.00 0.00 C ATOM 430 C VAL A 32 -17.494 7.616 -2.025 1.00 0.00 C ATOM 431 O VAL A 32 -16.712 6.876 -2.629 1.00 0.00 O ATOM 432 CB VAL A 32 -18.687 6.247 -0.147 1.00 0.00 C ATOM 433 CG1 VAL A 32 -18.046 4.870 -0.264 1.00 0.00 C ATOM 434 CG2 VAL A 32 -17.947 6.985 0.956 1.00 0.00 C ATOM 0 H VAL A 32 -18.702 5.878 -3.170 1.00 0.00 H new ATOM 0 HA VAL A 32 -19.429 7.905 -1.181 1.00 0.00 H new ATOM 0 HB VAL A 32 -19.739 6.116 0.106 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -18.017 4.398 0.718 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -18.631 4.253 -0.946 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -17.031 4.973 -0.647 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -17.903 6.359 1.847 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -16.935 7.215 0.624 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -18.472 7.911 1.189 1.00 0.00 H new ATOM 444 N THR A 33 -17.300 8.929 -1.929 1.00 0.00 N ATOM 445 CA THR A 33 -16.024 9.566 -2.208 1.00 0.00 C ATOM 446 C THR A 33 -15.144 9.394 -0.969 1.00 0.00 C ATOM 447 O THR A 33 -15.611 9.528 0.167 1.00 0.00 O ATOM 448 CB THR A 33 -16.212 11.038 -2.606 1.00 0.00 C ATOM 449 OG1 THR A 33 -17.110 11.143 -3.710 1.00 0.00 O ATOM 450 CG2 THR A 33 -14.895 11.715 -3.006 1.00 0.00 C ATOM 0 H THR A 33 -18.033 9.583 -1.653 1.00 0.00 H new ATOM 0 HA THR A 33 -15.535 9.098 -3.062 1.00 0.00 H new ATOM 0 HB THR A 33 -16.611 11.541 -1.725 1.00 0.00 H new ATOM 0 HG1 THR A 33 -16.748 10.649 -4.475 1.00 0.00 H new ATOM 0 HG21 THR A 33 -15.087 12.753 -3.277 1.00 0.00 H new ATOM 0 HG22 THR A 33 -14.200 11.682 -2.167 1.00 0.00 H new ATOM 0 HG23 THR A 33 -14.461 11.192 -3.858 1.00 0.00 H new ATOM 458 N LEU A 34 -13.881 9.060 -1.216 1.00 0.00 N ATOM 459 CA LEU A 34 -12.856 8.767 -0.232 1.00 0.00 C ATOM 460 C LEU A 34 -11.685 9.672 -0.534 1.00 0.00 C ATOM 461 O LEU A 34 -11.417 9.951 -1.704 1.00 0.00 O ATOM 462 CB LEU A 34 -12.426 7.304 -0.356 1.00 0.00 C ATOM 463 CG LEU A 34 -13.521 6.302 -0.008 1.00 0.00 C ATOM 464 CD1 LEU A 34 -13.096 4.877 -0.325 1.00 0.00 C ATOM 465 CD2 LEU A 34 -13.862 6.414 1.467 1.00 0.00 C ATOM 0 H LEU A 34 -13.529 8.983 -2.170 1.00 0.00 H new ATOM 0 HA LEU A 34 -13.225 8.931 0.780 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -12.091 7.120 -1.377 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -11.570 7.132 0.296 1.00 0.00 H new ATOM 0 HG LEU A 34 -14.397 6.536 -0.614 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -13.901 4.191 -0.064 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -12.877 4.791 -1.389 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -12.205 4.627 0.251 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -14.645 5.697 1.715 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -12.974 6.202 2.063 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -14.212 7.423 1.684 1.00 0.00 H new ATOM 477 N SER A 35 -10.998 10.081 0.526 1.00 0.00 N ATOM 478 CA SER A 35 -10.028 11.165 0.518 1.00 0.00 C ATOM 479 C SER A 35 -8.847 10.754 1.383 1.00 0.00 C ATOM 480 O SER A 35 -9.051 10.483 2.566 1.00 0.00 O ATOM 481 CB SER A 35 -10.691 12.434 1.086 1.00 0.00 C ATOM 482 OG SER A 35 -12.076 12.450 0.802 1.00 0.00 O ATOM 0 H SER A 35 -11.106 9.651 1.445 1.00 0.00 H new ATOM 0 HA SER A 35 -9.684 11.371 -0.495 1.00 0.00 H new ATOM 0 HB2 SER A 35 -10.536 12.479 2.164 1.00 0.00 H new ATOM 0 HB3 SER A 35 -10.218 13.318 0.659 1.00 0.00 H new ATOM 0 HG SER A 35 -12.545 11.859 1.428 1.00 0.00 H new ATOM 488 N TRP A 36 -7.645 10.619 0.828 1.00 0.00 N ATOM 489 CA TRP A 36 -6.478 10.239 1.615 1.00 0.00 C ATOM 490 C TRP A 36 -5.275 11.058 1.170 1.00 0.00 C ATOM 491 O TRP A 36 -5.214 11.527 0.029 1.00 0.00 O ATOM 492 CB TRP A 36 -6.229 8.733 1.496 1.00 0.00 C ATOM 493 CG TRP A 36 -6.028 8.265 0.092 1.00 0.00 C ATOM 494 CD1 TRP A 36 -4.842 8.216 -0.553 1.00 0.00 C ATOM 495 CD2 TRP A 36 -7.043 7.942 -0.904 1.00 0.00 C ATOM 496 NE1 TRP A 36 -5.047 7.903 -1.878 1.00 0.00 N ATOM 497 CE2 TRP A 36 -6.388 7.768 -2.159 1.00 0.00 C ATOM 498 CE3 TRP A 36 -8.452 7.819 -0.889 1.00 0.00 C ATOM 499 CZ2 TRP A 36 -7.094 7.545 -3.346 1.00 0.00 C ATOM 500 CZ3 TRP A 36 -9.166 7.575 -2.070 1.00 0.00 C ATOM 501 CH2 TRP A 36 -8.493 7.465 -3.294 1.00 0.00 C ATOM 0 H TRP A 36 -7.455 10.767 -0.163 1.00 0.00 H new ATOM 0 HA TRP A 36 -6.655 10.453 2.669 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -5.350 8.472 2.086 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -7.074 8.199 1.930 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -3.879 8.395 -0.098 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -4.301 7.786 -2.564 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -8.985 7.914 0.045 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -6.571 7.436 -4.285 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -10.240 7.471 -2.036 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -9.056 7.318 -4.204 1.00 0.00 H new ATOM 512 N GLN A 37 -4.292 11.189 2.058 1.00 0.00 N ATOM 513 CA GLN A 37 -3.095 11.971 1.806 1.00 0.00 C ATOM 514 C GLN A 37 -1.927 11.040 1.441 1.00 0.00 C ATOM 515 O GLN A 37 -1.862 9.915 1.959 1.00 0.00 O ATOM 516 CB GLN A 37 -2.769 12.870 3.003 1.00 0.00 C ATOM 517 CG GLN A 37 -3.903 13.864 3.308 1.00 0.00 C ATOM 518 CD GLN A 37 -3.428 15.102 4.076 1.00 0.00 C ATOM 519 OE1 GLN A 37 -2.388 15.109 4.736 1.00 0.00 O ATOM 520 NE2 GLN A 37 -4.175 16.187 4.035 1.00 0.00 N ATOM 0 H GLN A 37 -4.309 10.750 2.978 1.00 0.00 H new ATOM 0 HA GLN A 37 -3.270 12.631 0.956 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.585 12.251 3.881 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.850 13.420 2.802 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -4.363 14.179 2.372 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.675 13.358 3.888 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -5.038 16.192 3.491 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -3.890 17.022 4.547 1.00 0.00 H new ATOM 529 N PRO A 38 -1.037 11.482 0.534 1.00 0.00 N ATOM 530 CA PRO A 38 -0.024 10.639 -0.074 1.00 0.00 C ATOM 531 C PRO A 38 1.164 10.449 0.870 1.00 0.00 C ATOM 532 O PRO A 38 1.862 11.412 1.211 1.00 0.00 O ATOM 533 CB PRO A 38 0.359 11.334 -1.385 1.00 0.00 C ATOM 534 CG PRO A 38 -0.025 12.799 -1.203 1.00 0.00 C ATOM 535 CD PRO A 38 -1.100 12.778 -0.127 1.00 0.00 C ATOM 0 HA PRO A 38 -0.388 9.631 -0.274 1.00 0.00 H new ATOM 0 HB2 PRO A 38 1.425 11.231 -1.586 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -0.169 10.893 -2.231 1.00 0.00 H new ATOM 0 HG2 PRO A 38 0.832 13.399 -0.897 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -0.400 13.230 -2.131 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -0.939 13.582 0.591 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.085 12.936 -0.567 1.00 0.00 H new ATOM 543 N GLY A 39 1.400 9.193 1.263 1.00 0.00 N ATOM 544 CA GLY A 39 2.558 8.770 2.014 1.00 0.00 C ATOM 545 C GLY A 39 3.811 8.872 1.158 1.00 0.00 C ATOM 546 O GLY A 39 3.768 9.183 -0.037 1.00 0.00 O ATOM 0 H GLY A 39 0.761 8.426 1.053 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.667 9.388 2.905 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.424 7.743 2.353 1.00 0.00 H new ATOM 550 N THR A 40 4.923 8.599 1.818 1.00 0.00 N ATOM 551 CA THR A 40 6.290 8.833 1.430 1.00 0.00 C ATOM 552 C THR A 40 6.635 8.053 0.155 1.00 0.00 C ATOM 553 O THR A 40 6.028 7.018 -0.139 1.00 0.00 O ATOM 554 CB THR A 40 7.139 8.396 2.642 1.00 0.00 C ATOM 555 OG1 THR A 40 6.623 8.978 3.832 1.00 0.00 O ATOM 556 CG2 THR A 40 8.592 8.819 2.581 1.00 0.00 C ATOM 0 H THR A 40 4.877 8.160 2.738 1.00 0.00 H new ATOM 0 HA THR A 40 6.481 9.878 1.185 1.00 0.00 H new ATOM 0 HB THR A 40 7.087 7.307 2.629 1.00 0.00 H new ATOM 0 HG1 THR A 40 7.166 8.695 4.597 1.00 0.00 H new ATOM 0 HG21 THR A 40 9.111 8.469 3.473 1.00 0.00 H new ATOM 0 HG22 THR A 40 9.060 8.387 1.696 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.653 9.906 2.529 1.00 0.00 H new ATOM 564 N PRO A 41 7.608 8.534 -0.624 1.00 0.00 N ATOM 565 CA PRO A 41 8.186 7.788 -1.728 1.00 0.00 C ATOM 566 C PRO A 41 9.030 6.609 -1.226 1.00 0.00 C ATOM 567 O PRO A 41 9.087 6.303 -0.031 1.00 0.00 O ATOM 568 CB PRO A 41 8.994 8.817 -2.522 1.00 0.00 C ATOM 569 CG PRO A 41 9.265 9.955 -1.554 1.00 0.00 C ATOM 570 CD PRO A 41 8.128 9.887 -0.552 1.00 0.00 C ATOM 0 HA PRO A 41 7.429 7.323 -2.360 1.00 0.00 H new ATOM 0 HB2 PRO A 41 9.925 8.385 -2.891 1.00 0.00 H new ATOM 0 HB3 PRO A 41 8.438 9.166 -3.392 1.00 0.00 H new ATOM 0 HG2 PRO A 41 10.232 9.837 -1.065 1.00 0.00 H new ATOM 0 HG3 PRO A 41 9.283 10.916 -2.068 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.481 10.116 0.454 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.353 10.615 -0.792 1.00 0.00 H new ATOM 578 N GLY A 42 9.710 5.955 -2.156 1.00 0.00 N ATOM 579 CA GLY A 42 10.850 5.107 -1.943 1.00 0.00 C ATOM 580 C GLY A 42 11.844 5.530 -3.006 1.00 0.00 C ATOM 581 O GLY A 42 11.737 6.587 -3.640 1.00 0.00 O ATOM 0 H GLY A 42 9.454 6.014 -3.142 1.00 0.00 H new ATOM 0 HA2 GLY A 42 11.260 5.238 -0.942 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.586 4.054 -2.044 1.00 0.00 H new ATOM 585 N THR A 43 12.771 4.628 -3.234 1.00 0.00 N ATOM 586 CA THR A 43 13.676 4.637 -4.367 1.00 0.00 C ATOM 587 C THR A 43 12.869 4.765 -5.676 1.00 0.00 C ATOM 588 O THR A 43 13.177 5.648 -6.483 1.00 0.00 O ATOM 589 CB THR A 43 14.579 3.391 -4.240 1.00 0.00 C ATOM 590 OG1 THR A 43 15.821 3.704 -3.654 1.00 0.00 O ATOM 591 CG2 THR A 43 14.795 2.609 -5.522 1.00 0.00 C ATOM 0 H THR A 43 12.924 3.835 -2.611 1.00 0.00 H new ATOM 0 HA THR A 43 14.341 5.501 -4.385 1.00 0.00 H new ATOM 0 HB THR A 43 14.014 2.730 -3.583 1.00 0.00 H new ATOM 0 HG1 THR A 43 16.365 2.892 -3.588 1.00 0.00 H new ATOM 0 HG21 THR A 43 15.443 1.755 -5.323 1.00 0.00 H new ATOM 0 HG22 THR A 43 13.835 2.256 -5.899 1.00 0.00 H new ATOM 0 HG23 THR A 43 15.263 3.253 -6.267 1.00 0.00 H new ATOM 599 N LEU A 44 11.828 3.947 -5.898 1.00 0.00 N ATOM 600 CA LEU A 44 11.076 3.971 -7.157 1.00 0.00 C ATOM 601 C LEU A 44 9.863 4.912 -7.091 1.00 0.00 C ATOM 602 O LEU A 44 9.411 5.247 -5.993 1.00 0.00 O ATOM 603 CB LEU A 44 10.641 2.546 -7.543 1.00 0.00 C ATOM 604 CG LEU A 44 11.758 1.635 -8.076 1.00 0.00 C ATOM 605 CD1 LEU A 44 11.135 0.324 -8.549 1.00 0.00 C ATOM 606 CD2 LEU A 44 12.541 2.248 -9.244 1.00 0.00 C ATOM 0 H LEU A 44 11.490 3.263 -5.221 1.00 0.00 H new ATOM 0 HA LEU A 44 11.739 4.362 -7.928 1.00 0.00 H new ATOM 0 HB2 LEU A 44 10.195 2.072 -6.669 1.00 0.00 H new ATOM 0 HB3 LEU A 44 9.860 2.616 -8.301 1.00 0.00 H new ATOM 0 HG LEU A 44 12.463 1.484 -7.258 1.00 0.00 H new ATOM 0 HD11 LEU A 44 11.916 -0.333 -8.930 1.00 0.00 H new ATOM 0 HD12 LEU A 44 10.629 -0.160 -7.714 1.00 0.00 H new ATOM 0 HD13 LEU A 44 10.414 0.528 -9.341 1.00 0.00 H new ATOM 0 HD21 LEU A 44 13.313 1.551 -9.570 1.00 0.00 H new ATOM 0 HD22 LEU A 44 11.861 2.449 -10.072 1.00 0.00 H new ATOM 0 HD23 LEU A 44 13.006 3.180 -8.921 1.00 0.00 H new ATOM 618 N PRO A 45 9.315 5.322 -8.249 1.00 0.00 N ATOM 619 CA PRO A 45 8.079 6.091 -8.349 1.00 0.00 C ATOM 620 C PRO A 45 6.875 5.155 -8.360 1.00 0.00 C ATOM 621 O PRO A 45 6.948 4.020 -8.830 1.00 0.00 O ATOM 622 CB PRO A 45 8.205 6.810 -9.697 1.00 0.00 C ATOM 623 CG PRO A 45 8.930 5.776 -10.565 1.00 0.00 C ATOM 624 CD PRO A 45 9.847 5.059 -9.580 1.00 0.00 C ATOM 0 HA PRO A 45 7.936 6.777 -7.514 1.00 0.00 H new ATOM 0 HB2 PRO A 45 7.230 7.072 -10.109 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.774 7.736 -9.610 1.00 0.00 H new ATOM 0 HG2 PRO A 45 8.230 5.086 -11.036 1.00 0.00 H new ATOM 0 HG3 PRO A 45 9.496 6.251 -11.366 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.872 3.988 -9.783 1.00 0.00 H new ATOM 0 HD3 PRO A 45 10.870 5.424 -9.667 1.00 0.00 H new ATOM 632 N ALA A 46 5.739 5.667 -7.900 1.00 0.00 N ATOM 633 CA ALA A 46 4.461 4.998 -8.018 1.00 0.00 C ATOM 634 C ALA A 46 3.993 4.950 -9.483 1.00 0.00 C ATOM 635 O ALA A 46 4.351 5.795 -10.311 1.00 0.00 O ATOM 636 CB ALA A 46 3.472 5.772 -7.155 1.00 0.00 C ATOM 0 H ALA A 46 5.686 6.570 -7.430 1.00 0.00 H new ATOM 0 HA ALA A 46 4.538 3.964 -7.683 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.491 5.301 -7.214 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.813 5.770 -6.120 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.403 6.799 -7.513 1.00 0.00 H new ATOM 642 N SER A 47 3.124 3.989 -9.783 1.00 0.00 N ATOM 643 CA SER A 47 2.249 3.977 -10.944 1.00 0.00 C ATOM 644 C SER A 47 0.921 4.615 -10.535 1.00 0.00 C ATOM 645 O SER A 47 0.493 5.597 -11.143 1.00 0.00 O ATOM 646 CB SER A 47 2.042 2.534 -11.447 1.00 0.00 C ATOM 647 OG SER A 47 2.667 2.297 -12.690 1.00 0.00 O ATOM 0 H SER A 47 3.008 3.163 -9.196 1.00 0.00 H new ATOM 0 HA SER A 47 2.693 4.542 -11.763 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.435 1.836 -10.708 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.974 2.335 -11.538 1.00 0.00 H new ATOM 0 HG SER A 47 2.508 1.370 -12.964 1.00 0.00 H new ATOM 653 N ALA A 48 0.230 4.044 -9.543 1.00 0.00 N ATOM 654 CA ALA A 48 -1.167 4.335 -9.238 1.00 0.00 C ATOM 655 C ALA A 48 -1.461 3.915 -7.799 1.00 0.00 C ATOM 656 O ALA A 48 -0.553 3.535 -7.063 1.00 0.00 O ATOM 657 CB ALA A 48 -2.044 3.570 -10.234 1.00 0.00 C ATOM 0 H ALA A 48 0.640 3.351 -8.917 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.378 5.401 -9.329 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.094 3.773 -10.025 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.808 3.891 -11.248 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.855 2.501 -10.139 1.00 0.00 H new ATOM 663 N TYR A 49 -2.732 3.930 -7.423 1.00 0.00 N ATOM 664 CA TYR A 49 -3.274 3.366 -6.205 1.00 0.00 C ATOM 665 C TYR A 49 -4.150 2.170 -6.579 1.00 0.00 C ATOM 666 O TYR A 49 -4.576 2.020 -7.728 1.00 0.00 O ATOM 667 CB TYR A 49 -4.073 4.445 -5.446 1.00 0.00 C ATOM 668 CG TYR A 49 -3.234 5.593 -4.899 1.00 0.00 C ATOM 669 CD1 TYR A 49 -2.393 5.407 -3.782 1.00 0.00 C ATOM 670 CD2 TYR A 49 -3.278 6.855 -5.520 1.00 0.00 C ATOM 671 CE1 TYR A 49 -1.562 6.448 -3.324 1.00 0.00 C ATOM 672 CE2 TYR A 49 -2.465 7.905 -5.059 1.00 0.00 C ATOM 673 CZ TYR A 49 -1.580 7.702 -3.976 1.00 0.00 C ATOM 674 OH TYR A 49 -0.756 8.713 -3.576 1.00 0.00 O ATOM 0 H TYR A 49 -3.453 4.364 -7.999 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.477 3.025 -5.544 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.831 4.854 -6.114 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -4.600 3.972 -4.618 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -2.386 4.455 -3.272 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -3.941 7.018 -6.357 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -0.912 6.288 -2.476 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -2.517 8.873 -5.535 1.00 0.00 H new ATOM 0 HH TYR A 49 -0.906 9.500 -4.140 1.00 0.00 H new ATOM 684 N ILE A 50 -4.437 1.340 -5.585 1.00 0.00 N ATOM 685 CA ILE A 50 -5.556 0.415 -5.497 1.00 0.00 C ATOM 686 C ILE A 50 -6.423 0.868 -4.319 1.00 0.00 C ATOM 687 O ILE A 50 -5.917 1.465 -3.368 1.00 0.00 O ATOM 688 CB ILE A 50 -5.019 -1.031 -5.377 1.00 0.00 C ATOM 689 CG1 ILE A 50 -5.093 -1.674 -6.770 1.00 0.00 C ATOM 690 CG2 ILE A 50 -5.760 -1.890 -4.345 1.00 0.00 C ATOM 691 CD1 ILE A 50 -4.459 -3.064 -6.791 1.00 0.00 C ATOM 0 H ILE A 50 -3.846 1.294 -4.755 1.00 0.00 H new ATOM 0 HA ILE A 50 -6.181 0.418 -6.390 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.993 -0.979 -5.013 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -6.135 -1.746 -7.082 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.587 -1.034 -7.493 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.323 -2.888 -4.322 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -5.671 -1.432 -3.360 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.813 -1.961 -4.619 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.533 -3.483 -7.795 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.410 -2.990 -6.505 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -4.981 -3.713 -6.088 1.00 0.00 H new ATOM 703 N ILE A 51 -7.723 0.579 -4.373 1.00 0.00 N ATOM 704 CA ILE A 51 -8.714 0.859 -3.346 1.00 0.00 C ATOM 705 C ILE A 51 -9.471 -0.450 -3.199 1.00 0.00 C ATOM 706 O ILE A 51 -10.241 -0.845 -4.077 1.00 0.00 O ATOM 707 CB ILE A 51 -9.592 2.050 -3.786 1.00 0.00 C ATOM 708 CG1 ILE A 51 -8.720 3.323 -3.757 1.00 0.00 C ATOM 709 CG2 ILE A 51 -10.917 2.289 -3.024 1.00 0.00 C ATOM 710 CD1 ILE A 51 -9.395 4.530 -4.385 1.00 0.00 C ATOM 0 H ILE A 51 -8.132 0.116 -5.185 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.300 1.163 -2.385 1.00 0.00 H new ATOM 0 HB ILE A 51 -9.940 1.789 -4.785 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.464 3.556 -2.723 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -7.784 3.126 -4.280 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -11.426 3.158 -3.442 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -11.557 1.412 -3.122 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -10.704 2.466 -1.970 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -8.727 5.390 -4.331 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -9.627 4.316 -5.428 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -10.317 4.752 -3.847 1.00 0.00 H new ATOM 722 N GLU A 52 -9.240 -1.120 -2.080 1.00 0.00 N ATOM 723 CA GLU A 52 -9.954 -2.322 -1.713 1.00 0.00 C ATOM 724 C GLU A 52 -11.023 -1.906 -0.712 1.00 0.00 C ATOM 725 O GLU A 52 -10.906 -0.853 -0.077 1.00 0.00 O ATOM 726 CB GLU A 52 -9.001 -3.347 -1.077 1.00 0.00 C ATOM 727 CG GLU A 52 -7.837 -3.731 -1.995 1.00 0.00 C ATOM 728 CD GLU A 52 -6.939 -4.790 -1.356 1.00 0.00 C ATOM 729 OE1 GLU A 52 -6.247 -4.488 -0.354 1.00 0.00 O ATOM 730 OE2 GLU A 52 -6.911 -5.947 -1.816 1.00 0.00 O ATOM 0 H GLU A 52 -8.540 -0.835 -1.395 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.396 -2.793 -2.591 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.604 -2.938 -0.148 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.562 -4.244 -0.816 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -8.228 -4.108 -2.940 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.247 -2.844 -2.225 1.00 0.00 H new ATOM 737 N ALA A 53 -12.051 -2.737 -0.571 1.00 0.00 N ATOM 738 CA ALA A 53 -13.141 -2.616 0.378 1.00 0.00 C ATOM 739 C ALA A 53 -13.460 -4.007 0.896 1.00 0.00 C ATOM 740 O ALA A 53 -13.324 -4.987 0.161 1.00 0.00 O ATOM 741 CB ALA A 53 -14.379 -2.069 -0.337 1.00 0.00 C ATOM 0 H ALA A 53 -12.146 -3.566 -1.158 1.00 0.00 H new ATOM 0 HA ALA A 53 -12.862 -1.946 1.192 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -15.199 -1.977 0.375 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -14.153 -1.089 -0.758 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -14.668 -2.750 -1.137 1.00 0.00 H new ATOM 747 N PHE A 54 -13.952 -4.103 2.121 1.00 0.00 N ATOM 748 CA PHE A 54 -14.494 -5.333 2.677 1.00 0.00 C ATOM 749 C PHE A 54 -15.871 -4.985 3.212 1.00 0.00 C ATOM 750 O PHE A 54 -16.095 -3.860 3.668 1.00 0.00 O ATOM 751 CB PHE A 54 -13.566 -5.891 3.768 1.00 0.00 C ATOM 752 CG PHE A 54 -14.218 -6.939 4.650 1.00 0.00 C ATOM 753 CD1 PHE A 54 -15.057 -6.529 5.701 1.00 0.00 C ATOM 754 CD2 PHE A 54 -14.042 -8.313 4.400 1.00 0.00 C ATOM 755 CE1 PHE A 54 -15.735 -7.472 6.478 1.00 0.00 C ATOM 756 CE2 PHE A 54 -14.726 -9.266 5.177 1.00 0.00 C ATOM 757 CZ PHE A 54 -15.580 -8.845 6.213 1.00 0.00 C ATOM 0 H PHE A 54 -13.987 -3.315 2.768 1.00 0.00 H new ATOM 0 HA PHE A 54 -14.570 -6.119 1.926 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -12.685 -6.325 3.295 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -13.220 -5.068 4.393 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -15.179 -5.476 5.910 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -13.380 -8.636 3.610 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -16.378 -7.147 7.282 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -14.596 -10.320 4.978 1.00 0.00 H new ATOM 0 HZ PHE A 54 -16.115 -9.574 6.803 1.00 0.00 H new ATOM 767 N SER A 55 -16.784 -5.954 3.207 1.00 0.00 N ATOM 768 CA SER A 55 -18.072 -5.793 3.849 1.00 0.00 C ATOM 769 C SER A 55 -18.657 -7.151 4.223 1.00 0.00 C ATOM 770 O SER A 55 -18.953 -7.992 3.371 1.00 0.00 O ATOM 771 CB SER A 55 -19.014 -5.027 2.934 1.00 0.00 C ATOM 772 OG SER A 55 -18.729 -5.204 1.551 1.00 0.00 O ATOM 0 H SER A 55 -16.647 -6.861 2.761 1.00 0.00 H new ATOM 0 HA SER A 55 -17.941 -5.221 4.768 1.00 0.00 H new ATOM 0 HB2 SER A 55 -20.038 -5.346 3.130 1.00 0.00 H new ATOM 0 HB3 SER A 55 -18.959 -3.965 3.175 1.00 0.00 H new ATOM 0 HG SER A 55 -18.860 -4.355 1.079 1.00 0.00 H new ATOM 778 N GLN A 56 -18.861 -7.374 5.517 1.00 0.00 N ATOM 779 CA GLN A 56 -19.286 -8.672 6.010 1.00 0.00 C ATOM 780 C GLN A 56 -20.708 -9.011 5.545 1.00 0.00 C ATOM 781 O GLN A 56 -21.017 -10.154 5.202 1.00 0.00 O ATOM 782 CB GLN A 56 -19.158 -8.632 7.539 1.00 0.00 C ATOM 783 CG GLN A 56 -19.283 -9.983 8.242 1.00 0.00 C ATOM 784 CD GLN A 56 -19.107 -9.818 9.753 1.00 0.00 C ATOM 785 OE1 GLN A 56 -19.584 -8.832 10.308 1.00 0.00 O ATOM 786 NE2 GLN A 56 -18.482 -10.732 10.466 1.00 0.00 N ATOM 0 H GLN A 56 -18.737 -6.668 6.243 1.00 0.00 H new ATOM 0 HA GLN A 56 -18.659 -9.468 5.608 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -18.192 -8.196 7.795 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -19.924 -7.964 7.934 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -20.258 -10.422 8.029 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -18.532 -10.672 7.855 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -18.085 -11.552 10.008 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -18.395 -10.620 11.476 1.00 0.00 H new ATOM 795 N SER A 57 -21.556 -7.987 5.488 1.00 0.00 N ATOM 796 CA SER A 57 -22.938 -8.012 5.014 1.00 0.00 C ATOM 797 C SER A 57 -23.066 -8.172 3.484 1.00 0.00 C ATOM 798 O SER A 57 -24.170 -8.067 2.945 1.00 0.00 O ATOM 799 CB SER A 57 -23.611 -6.719 5.498 1.00 0.00 C ATOM 800 OG SER A 57 -24.992 -6.893 5.712 1.00 0.00 O ATOM 0 H SER A 57 -21.277 -7.054 5.792 1.00 0.00 H new ATOM 0 HA SER A 57 -23.433 -8.892 5.424 1.00 0.00 H new ATOM 0 HB2 SER A 57 -23.139 -6.389 6.423 1.00 0.00 H new ATOM 0 HB3 SER A 57 -23.454 -5.931 4.762 1.00 0.00 H new ATOM 0 HG SER A 57 -25.384 -6.049 6.020 1.00 0.00 H new ATOM 806 N VAL A 58 -21.969 -8.391 2.758 1.00 0.00 N ATOM 807 CA VAL A 58 -21.922 -8.323 1.304 1.00 0.00 C ATOM 808 C VAL A 58 -21.311 -9.622 0.807 1.00 0.00 C ATOM 809 O VAL A 58 -22.040 -10.409 0.200 1.00 0.00 O ATOM 810 CB VAL A 58 -21.123 -7.069 0.910 1.00 0.00 C ATOM 811 CG1 VAL A 58 -20.657 -6.975 -0.549 1.00 0.00 C ATOM 812 CG2 VAL A 58 -21.936 -5.813 1.256 1.00 0.00 C ATOM 0 H VAL A 58 -21.070 -8.626 3.178 1.00 0.00 H new ATOM 0 HA VAL A 58 -22.906 -8.227 0.845 1.00 0.00 H new ATOM 0 HB VAL A 58 -20.203 -7.148 1.489 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -20.106 -6.046 -0.696 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -20.009 -7.821 -0.779 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -21.524 -6.991 -1.210 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -21.370 -4.925 0.977 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -22.879 -5.828 0.710 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -22.137 -5.793 2.327 1.00 0.00 H new ATOM 822 N SER A 59 -20.015 -9.822 1.056 1.00 0.00 N ATOM 823 CA SER A 59 -19.188 -10.916 0.580 1.00 0.00 C ATOM 824 C SER A 59 -18.002 -10.979 1.542 1.00 0.00 C ATOM 825 O SER A 59 -17.299 -9.983 1.702 1.00 0.00 O ATOM 826 CB SER A 59 -18.687 -10.610 -0.842 1.00 0.00 C ATOM 827 OG SER A 59 -19.759 -10.484 -1.761 1.00 0.00 O ATOM 0 H SER A 59 -19.485 -9.173 1.638 1.00 0.00 H new ATOM 0 HA SER A 59 -19.737 -11.857 0.546 1.00 0.00 H new ATOM 0 HB2 SER A 59 -18.106 -9.688 -0.832 1.00 0.00 H new ATOM 0 HB3 SER A 59 -18.018 -11.405 -1.171 1.00 0.00 H new ATOM 0 HG SER A 59 -19.404 -10.288 -2.653 1.00 0.00 H new ATOM 833 N ASN A 60 -17.787 -12.110 2.218 1.00 0.00 N ATOM 834 CA ASN A 60 -16.624 -12.291 3.088 1.00 0.00 C ATOM 835 C ASN A 60 -15.360 -12.445 2.236 1.00 0.00 C ATOM 836 O ASN A 60 -14.946 -13.571 1.941 1.00 0.00 O ATOM 837 CB ASN A 60 -16.813 -13.489 4.035 1.00 0.00 C ATOM 838 CG ASN A 60 -15.603 -13.707 4.954 1.00 0.00 C ATOM 839 OD1 ASN A 60 -14.616 -12.976 4.928 1.00 0.00 O ATOM 840 ND2 ASN A 60 -15.653 -14.723 5.801 1.00 0.00 N ATOM 0 H ASN A 60 -18.408 -12.918 2.178 1.00 0.00 H new ATOM 0 HA ASN A 60 -16.516 -11.406 3.715 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -17.704 -13.330 4.643 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -16.985 -14.390 3.446 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -14.872 -14.899 6.433 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -16.473 -15.330 5.822 1.00 0.00 H new ATOM 847 N SER A 61 -14.787 -11.328 1.798 1.00 0.00 N ATOM 848 CA SER A 61 -13.472 -11.160 1.183 1.00 0.00 C ATOM 849 C SER A 61 -13.197 -9.650 1.083 1.00 0.00 C ATOM 850 O SER A 61 -14.129 -8.844 1.140 1.00 0.00 O ATOM 851 CB SER A 61 -13.457 -11.796 -0.215 1.00 0.00 C ATOM 852 OG SER A 61 -13.359 -13.207 -0.142 1.00 0.00 O ATOM 0 H SER A 61 -15.275 -10.435 1.871 1.00 0.00 H new ATOM 0 HA SER A 61 -12.704 -11.649 1.782 1.00 0.00 H new ATOM 0 HB2 SER A 61 -14.365 -11.521 -0.751 1.00 0.00 H new ATOM 0 HB3 SER A 61 -12.617 -11.401 -0.787 1.00 0.00 H new ATOM 0 HG SER A 61 -13.621 -13.507 0.753 1.00 0.00 H new ATOM 858 N TRP A 62 -11.929 -9.250 0.956 1.00 0.00 N ATOM 859 CA TRP A 62 -11.590 -7.919 0.459 1.00 0.00 C ATOM 860 C TRP A 62 -11.786 -7.937 -1.057 1.00 0.00 C ATOM 861 O TRP A 62 -11.480 -8.944 -1.691 1.00 0.00 O ATOM 862 CB TRP A 62 -10.136 -7.570 0.811 1.00 0.00 C ATOM 863 CG TRP A 62 -9.919 -7.098 2.220 1.00 0.00 C ATOM 864 CD1 TRP A 62 -9.496 -7.842 3.268 1.00 0.00 C ATOM 865 CD2 TRP A 62 -10.135 -5.756 2.747 1.00 0.00 C ATOM 866 NE1 TRP A 62 -9.473 -7.059 4.411 1.00 0.00 N ATOM 867 CE2 TRP A 62 -9.922 -5.778 4.156 1.00 0.00 C ATOM 868 CE3 TRP A 62 -10.507 -4.525 2.171 1.00 0.00 C ATOM 869 CZ2 TRP A 62 -10.151 -4.647 4.958 1.00 0.00 C ATOM 870 CZ3 TRP A 62 -10.732 -3.384 2.962 1.00 0.00 C ATOM 871 CH2 TRP A 62 -10.594 -3.460 4.356 1.00 0.00 C ATOM 0 H TRP A 62 -11.123 -9.830 1.191 1.00 0.00 H new ATOM 0 HA TRP A 62 -12.227 -7.163 0.918 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -9.515 -8.449 0.639 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -9.788 -6.796 0.127 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -9.219 -8.885 3.221 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -9.163 -7.387 5.326 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -10.622 -4.456 1.099 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -9.988 -4.691 6.025 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -11.011 -2.450 2.497 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -10.830 -2.602 4.968 1.00 0.00 H new ATOM 882 N GLN A 63 -12.286 -6.843 -1.630 1.00 0.00 N ATOM 883 CA GLN A 63 -12.622 -6.711 -3.042 1.00 0.00 C ATOM 884 C GLN A 63 -11.997 -5.432 -3.552 1.00 0.00 C ATOM 885 O GLN A 63 -12.047 -4.413 -2.859 1.00 0.00 O ATOM 886 CB GLN A 63 -14.144 -6.638 -3.259 1.00 0.00 C ATOM 887 CG GLN A 63 -14.878 -7.764 -2.524 1.00 0.00 C ATOM 888 CD GLN A 63 -16.005 -8.399 -3.329 1.00 0.00 C ATOM 889 OE1 GLN A 63 -16.723 -7.729 -4.073 1.00 0.00 O ATOM 890 NE2 GLN A 63 -16.181 -9.700 -3.177 1.00 0.00 N ATOM 0 H GLN A 63 -12.475 -5.992 -1.100 1.00 0.00 H new ATOM 0 HA GLN A 63 -12.247 -7.584 -3.576 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -14.515 -5.674 -2.911 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -14.362 -6.697 -4.325 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -14.158 -8.537 -2.254 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -15.287 -7.370 -1.594 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -15.570 -10.228 -2.554 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -16.928 -10.176 -3.683 1.00 0.00 H new ATOM 899 N THR A 64 -11.452 -5.463 -4.758 1.00 0.00 N ATOM 900 CA THR A 64 -10.781 -4.292 -5.319 1.00 0.00 C ATOM 901 C THR A 64 -11.817 -3.432 -6.056 1.00 0.00 C ATOM 902 O THR A 64 -12.126 -3.679 -7.226 1.00 0.00 O ATOM 903 CB THR A 64 -9.569 -4.707 -6.173 1.00 0.00 C ATOM 904 OG1 THR A 64 -8.835 -5.737 -5.545 1.00 0.00 O ATOM 905 CG2 THR A 64 -8.628 -3.511 -6.317 1.00 0.00 C ATOM 0 H THR A 64 -11.459 -6.281 -5.368 1.00 0.00 H new ATOM 0 HA THR A 64 -10.360 -3.672 -4.528 1.00 0.00 H new ATOM 0 HB THR A 64 -9.940 -5.051 -7.138 1.00 0.00 H new ATOM 0 HG1 THR A 64 -8.072 -5.984 -6.107 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.767 -3.796 -6.921 1.00 0.00 H new ATOM 0 HG22 THR A 64 -9.155 -2.690 -6.802 1.00 0.00 H new ATOM 0 HG23 THR A 64 -8.290 -3.193 -5.331 1.00 0.00 H new ATOM 913 N VAL A 65 -12.375 -2.438 -5.363 1.00 0.00 N ATOM 914 CA VAL A 65 -13.498 -1.624 -5.831 1.00 0.00 C ATOM 915 C VAL A 65 -13.057 -0.412 -6.655 1.00 0.00 C ATOM 916 O VAL A 65 -13.878 0.166 -7.374 1.00 0.00 O ATOM 917 CB VAL A 65 -14.383 -1.200 -4.646 1.00 0.00 C ATOM 918 CG1 VAL A 65 -15.025 -2.425 -3.981 1.00 0.00 C ATOM 919 CG2 VAL A 65 -13.624 -0.367 -3.597 1.00 0.00 C ATOM 0 H VAL A 65 -12.049 -2.170 -4.435 1.00 0.00 H new ATOM 0 HA VAL A 65 -14.084 -2.249 -6.505 1.00 0.00 H new ATOM 0 HB VAL A 65 -15.163 -0.561 -5.059 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -15.646 -2.102 -3.146 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -15.641 -2.953 -4.709 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -14.244 -3.092 -3.615 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -14.301 -0.098 -2.786 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -12.795 -0.952 -3.198 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -13.238 0.540 -4.063 1.00 0.00 H new ATOM 929 N ALA A 66 -11.777 -0.036 -6.597 1.00 0.00 N ATOM 930 CA ALA A 66 -11.133 0.727 -7.648 1.00 0.00 C ATOM 931 C ALA A 66 -9.711 0.202 -7.770 1.00 0.00 C ATOM 932 O ALA A 66 -9.108 -0.222 -6.783 1.00 0.00 O ATOM 933 CB ALA A 66 -11.171 2.232 -7.366 1.00 0.00 C ATOM 0 H ALA A 66 -11.163 -0.257 -5.813 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.664 0.601 -8.592 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -10.678 2.767 -8.178 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.207 2.562 -7.291 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -10.655 2.440 -6.429 1.00 0.00 H new ATOM 939 N ASN A 67 -9.151 0.265 -8.970 1.00 0.00 N ATOM 940 CA ASN A 67 -7.780 -0.136 -9.233 1.00 0.00 C ATOM 941 C ASN A 67 -7.196 0.963 -10.101 1.00 0.00 C ATOM 942 O ASN A 67 -7.922 1.550 -10.908 1.00 0.00 O ATOM 943 CB ASN A 67 -7.645 -1.487 -9.990 1.00 0.00 C ATOM 944 CG ASN A 67 -8.737 -2.546 -9.804 1.00 0.00 C ATOM 945 OD1 ASN A 67 -9.925 -2.301 -9.996 1.00 0.00 O ATOM 946 ND2 ASN A 67 -8.373 -3.785 -9.522 1.00 0.00 N ATOM 0 H ASN A 67 -9.644 0.601 -9.797 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.268 -0.278 -8.281 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -7.578 -1.264 -11.055 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -6.696 -1.936 -9.698 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -9.075 -4.523 -9.466 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -7.390 -4.003 -9.360 1.00 0.00 H new ATOM 953 N HIS A 68 -5.878 1.141 -10.059 1.00 0.00 N ATOM 954 CA HIS A 68 -5.149 2.009 -10.983 1.00 0.00 C ATOM 955 C HIS A 68 -5.563 3.493 -10.887 1.00 0.00 C ATOM 956 O HIS A 68 -5.438 4.249 -11.858 1.00 0.00 O ATOM 957 CB HIS A 68 -5.193 1.416 -12.409 1.00 0.00 C ATOM 958 CG HIS A 68 -3.947 0.657 -12.758 1.00 0.00 C ATOM 959 ND1 HIS A 68 -2.980 1.088 -13.637 1.00 0.00 N ATOM 960 CD2 HIS A 68 -3.600 -0.588 -12.305 1.00 0.00 C ATOM 961 CE1 HIS A 68 -2.064 0.116 -13.739 1.00 0.00 C ATOM 962 NE2 HIS A 68 -2.408 -0.933 -12.962 1.00 0.00 N ATOM 0 H HIS A 68 -5.278 0.681 -9.374 1.00 0.00 H new ATOM 0 HA HIS A 68 -4.102 2.030 -10.681 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -6.054 0.753 -12.496 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -5.337 2.222 -13.129 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -4.137 -1.187 -11.584 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -1.178 0.165 -14.354 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -1.898 -1.811 -12.870 1.00 0.00 H new ATOM 970 N VAL A 69 -6.008 3.954 -9.719 1.00 0.00 N ATOM 971 CA VAL A 69 -6.435 5.337 -9.516 1.00 0.00 C ATOM 972 C VAL A 69 -5.185 6.215 -9.429 1.00 0.00 C ATOM 973 O VAL A 69 -4.230 5.841 -8.753 1.00 0.00 O ATOM 974 CB VAL A 69 -7.323 5.415 -8.264 1.00 0.00 C ATOM 975 CG1 VAL A 69 -7.678 6.847 -7.877 1.00 0.00 C ATOM 976 CG2 VAL A 69 -8.660 4.689 -8.495 1.00 0.00 C ATOM 0 H VAL A 69 -6.083 3.375 -8.883 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.038 5.702 -10.347 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.738 4.950 -7.470 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.306 6.838 -6.986 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.765 7.405 -7.671 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -8.217 7.322 -8.696 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -9.271 4.758 -7.595 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -9.187 5.154 -9.328 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -8.470 3.641 -8.725 1.00 0.00 H new ATOM 986 N LYS A 70 -5.161 7.360 -10.119 1.00 0.00 N ATOM 987 CA LYS A 70 -4.006 8.262 -10.135 1.00 0.00 C ATOM 988 C LYS A 70 -4.229 9.533 -9.305 1.00 0.00 C ATOM 989 O LYS A 70 -3.283 10.300 -9.107 1.00 0.00 O ATOM 990 CB LYS A 70 -3.697 8.581 -11.604 1.00 0.00 C ATOM 991 CG LYS A 70 -3.127 7.349 -12.329 1.00 0.00 C ATOM 992 CD LYS A 70 -3.402 7.370 -13.834 1.00 0.00 C ATOM 993 CE LYS A 70 -4.793 6.820 -14.181 1.00 0.00 C ATOM 994 NZ LYS A 70 -4.906 6.423 -15.600 1.00 0.00 N ATOM 0 H LYS A 70 -5.945 7.688 -10.684 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.154 7.772 -9.663 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.605 8.915 -12.106 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.982 9.402 -11.659 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.051 7.299 -12.161 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.559 6.446 -11.897 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.316 8.392 -14.202 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -2.642 6.781 -14.348 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.008 5.959 -13.548 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -5.545 7.576 -13.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -5.863 6.059 -15.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -4.728 7.249 -16.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.207 5.682 -15.810 1.00 0.00 H new ATOM 1008 N THR A 71 -5.449 9.762 -8.827 1.00 0.00 N ATOM 1009 CA THR A 71 -5.859 10.921 -8.045 1.00 0.00 C ATOM 1010 C THR A 71 -5.697 10.606 -6.543 1.00 0.00 C ATOM 1011 O THR A 71 -5.143 9.567 -6.171 1.00 0.00 O ATOM 1012 CB THR A 71 -7.252 11.400 -8.554 1.00 0.00 C ATOM 1013 OG1 THR A 71 -7.932 12.264 -7.664 1.00 0.00 O ATOM 1014 CG2 THR A 71 -8.219 10.283 -8.975 1.00 0.00 C ATOM 0 H THR A 71 -6.217 9.109 -8.984 1.00 0.00 H new ATOM 0 HA THR A 71 -5.220 11.793 -8.184 1.00 0.00 H new ATOM 0 HB THR A 71 -6.968 11.956 -9.448 1.00 0.00 H new ATOM 0 HG1 THR A 71 -8.773 11.847 -7.382 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.158 10.722 -9.313 1.00 0.00 H new ATOM 0 HG22 THR A 71 -7.776 9.705 -9.786 1.00 0.00 H new ATOM 0 HG23 THR A 71 -8.410 9.628 -8.125 1.00 0.00 H new ATOM 1022 N THR A 72 -6.137 11.523 -5.679 1.00 0.00 N ATOM 1023 CA THR A 72 -6.167 11.398 -4.223 1.00 0.00 C ATOM 1024 C THR A 72 -7.594 11.533 -3.664 1.00 0.00 C ATOM 1025 O THR A 72 -7.783 11.446 -2.449 1.00 0.00 O ATOM 1026 CB THR A 72 -5.205 12.427 -3.597 1.00 0.00 C ATOM 1027 OG1 THR A 72 -5.526 13.730 -4.066 1.00 0.00 O ATOM 1028 CG2 THR A 72 -3.735 12.152 -3.928 1.00 0.00 C ATOM 0 H THR A 72 -6.502 12.422 -5.995 1.00 0.00 H new ATOM 0 HA THR A 72 -5.830 10.397 -3.953 1.00 0.00 H new ATOM 0 HB THR A 72 -5.330 12.348 -2.517 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.914 14.382 -3.665 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.108 12.910 -3.459 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.456 11.168 -3.553 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.594 12.182 -5.008 1.00 0.00 H new ATOM 1036 N LEU A 73 -8.613 11.720 -4.515 1.00 0.00 N ATOM 1037 CA LEU A 73 -10.011 11.485 -4.162 1.00 0.00 C ATOM 1038 C LEU A 73 -10.648 10.629 -5.240 1.00 0.00 C ATOM 1039 O LEU A 73 -10.330 10.820 -6.412 1.00 0.00 O ATOM 1040 CB LEU A 73 -10.797 12.793 -4.005 1.00 0.00 C ATOM 1041 CG LEU A 73 -10.515 13.460 -2.647 1.00 0.00 C ATOM 1042 CD1 LEU A 73 -9.589 14.670 -2.784 1.00 0.00 C ATOM 1043 CD2 LEU A 73 -11.810 13.851 -1.959 1.00 0.00 C ATOM 0 H LEU A 73 -8.484 12.041 -5.474 1.00 0.00 H new ATOM 0 HA LEU A 73 -10.039 10.976 -3.199 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -10.531 13.478 -4.810 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -11.864 12.591 -4.098 1.00 0.00 H new ATOM 0 HG LEU A 73 -10.000 12.725 -2.028 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.417 15.110 -1.802 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.638 14.354 -3.211 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -10.052 15.410 -3.437 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -11.586 14.320 -1.001 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -12.358 14.553 -2.587 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -12.417 12.961 -1.794 1.00 0.00 H new ATOM 1055 N TYR A 74 -11.463 9.639 -4.875 1.00 0.00 N ATOM 1056 CA TYR A 74 -12.202 8.846 -5.859 1.00 0.00 C ATOM 1057 C TYR A 74 -13.546 8.452 -5.271 1.00 0.00 C ATOM 1058 O TYR A 74 -13.644 8.194 -4.068 1.00 0.00 O ATOM 1059 CB TYR A 74 -11.344 7.640 -6.284 1.00 0.00 C ATOM 1060 CG TYR A 74 -11.940 6.721 -7.333 1.00 0.00 C ATOM 1061 CD1 TYR A 74 -12.729 5.619 -6.953 1.00 0.00 C ATOM 1062 CD2 TYR A 74 -11.676 6.948 -8.696 1.00 0.00 C ATOM 1063 CE1 TYR A 74 -13.283 4.767 -7.922 1.00 0.00 C ATOM 1064 CE2 TYR A 74 -12.200 6.080 -9.671 1.00 0.00 C ATOM 1065 CZ TYR A 74 -13.020 4.997 -9.288 1.00 0.00 C ATOM 1066 OH TYR A 74 -13.550 4.199 -10.249 1.00 0.00 O ATOM 0 H TYR A 74 -11.628 9.367 -3.906 1.00 0.00 H new ATOM 0 HA TYR A 74 -12.406 9.423 -6.761 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -10.392 8.014 -6.660 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -11.125 7.047 -5.396 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -12.910 5.427 -5.906 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -11.070 7.790 -8.994 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -13.908 3.939 -7.622 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -11.974 6.243 -10.715 1.00 0.00 H new ATOM 0 HH TYR A 74 -13.259 4.512 -11.131 1.00 0.00 H new ATOM 1076 N THR A 75 -14.566 8.389 -6.120 1.00 0.00 N ATOM 1077 CA THR A 75 -15.896 7.892 -5.822 1.00 0.00 C ATOM 1078 C THR A 75 -15.927 6.387 -6.097 1.00 0.00 C ATOM 1079 O THR A 75 -15.920 5.968 -7.258 1.00 0.00 O ATOM 1080 CB THR A 75 -16.893 8.687 -6.678 1.00 0.00 C ATOM 1081 OG1 THR A 75 -16.895 10.029 -6.228 1.00 0.00 O ATOM 1082 CG2 THR A 75 -18.319 8.125 -6.617 1.00 0.00 C ATOM 0 H THR A 75 -14.478 8.702 -7.087 1.00 0.00 H new ATOM 0 HA THR A 75 -16.170 8.029 -4.776 1.00 0.00 H new ATOM 0 HB THR A 75 -16.573 8.614 -7.717 1.00 0.00 H new ATOM 0 HG1 THR A 75 -17.526 10.553 -6.765 1.00 0.00 H new ATOM 0 HG21 THR A 75 -18.976 8.730 -7.242 1.00 0.00 H new ATOM 0 HG22 THR A 75 -18.320 7.097 -6.978 1.00 0.00 H new ATOM 0 HG23 THR A 75 -18.676 8.149 -5.587 1.00 0.00 H new ATOM 1090 N VAL A 76 -15.950 5.577 -5.040 1.00 0.00 N ATOM 1091 CA VAL A 76 -16.296 4.160 -5.096 1.00 0.00 C ATOM 1092 C VAL A 76 -17.725 4.037 -5.630 1.00 0.00 C ATOM 1093 O VAL A 76 -18.519 4.947 -5.404 1.00 0.00 O ATOM 1094 CB VAL A 76 -16.166 3.568 -3.676 1.00 0.00 C ATOM 1095 CG1 VAL A 76 -16.512 2.075 -3.664 1.00 0.00 C ATOM 1096 CG2 VAL A 76 -14.729 3.735 -3.176 1.00 0.00 C ATOM 0 H VAL A 76 -15.723 5.897 -4.098 1.00 0.00 H new ATOM 0 HA VAL A 76 -15.629 3.608 -5.759 1.00 0.00 H new ATOM 0 HB VAL A 76 -16.862 4.101 -3.028 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -16.411 1.686 -2.651 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -17.538 1.936 -4.006 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -15.833 1.539 -4.327 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -14.642 3.316 -2.174 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -14.047 3.214 -3.848 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -14.474 4.794 -3.150 1.00 0.00 H new ATOM 1106 N ARG A 77 -18.082 2.935 -6.304 1.00 0.00 N ATOM 1107 CA ARG A 77 -19.437 2.624 -6.771 1.00 0.00 C ATOM 1108 C ARG A 77 -19.792 1.157 -6.477 1.00 0.00 C ATOM 1109 O ARG A 77 -19.013 0.433 -5.856 1.00 0.00 O ATOM 1110 CB ARG A 77 -19.537 2.934 -8.275 1.00 0.00 C ATOM 1111 CG ARG A 77 -19.362 4.425 -8.572 1.00 0.00 C ATOM 1112 CD ARG A 77 -19.364 4.650 -10.080 1.00 0.00 C ATOM 1113 NE ARG A 77 -19.240 6.084 -10.378 1.00 0.00 N ATOM 1114 CZ ARG A 77 -18.100 6.783 -10.441 1.00 0.00 C ATOM 1115 NH1 ARG A 77 -16.915 6.179 -10.478 1.00 0.00 N ATOM 1116 NH2 ARG A 77 -18.159 8.107 -10.459 1.00 0.00 N ATOM 0 H ARG A 77 -17.408 2.209 -6.547 1.00 0.00 H new ATOM 0 HA ARG A 77 -20.156 3.243 -6.235 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -18.777 2.367 -8.812 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -20.506 2.602 -8.649 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -20.167 4.995 -8.108 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -18.427 4.785 -8.142 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -18.540 4.103 -10.538 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -20.285 4.259 -10.512 1.00 0.00 H new ATOM 0 HE ARG A 77 -20.105 6.595 -10.554 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -16.861 5.161 -10.459 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -16.061 6.734 -10.526 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -19.063 8.578 -10.425 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -17.300 8.655 -10.507 1.00 0.00 H new ATOM 1130 N GLY A 78 -20.975 0.724 -6.926 1.00 0.00 N ATOM 1131 CA GLY A 78 -21.421 -0.668 -6.904 1.00 0.00 C ATOM 1132 C GLY A 78 -21.864 -1.157 -5.526 1.00 0.00 C ATOM 1133 O GLY A 78 -22.116 -2.350 -5.354 1.00 0.00 O ATOM 0 H GLY A 78 -21.669 1.355 -7.327 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -22.249 -0.784 -7.603 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -20.611 -1.304 -7.261 1.00 0.00 H new ATOM 1137 N LEU A 79 -21.956 -0.268 -4.535 1.00 0.00 N ATOM 1138 CA LEU A 79 -22.238 -0.641 -3.154 1.00 0.00 C ATOM 1139 C LEU A 79 -23.739 -0.846 -2.958 1.00 0.00 C ATOM 1140 O LEU A 79 -24.564 -0.716 -3.870 1.00 0.00 O ATOM 1141 CB LEU A 79 -21.684 0.404 -2.157 1.00 0.00 C ATOM 1142 CG LEU A 79 -20.221 0.794 -2.393 1.00 0.00 C ATOM 1143 CD1 LEU A 79 -19.836 1.943 -1.465 1.00 0.00 C ATOM 1144 CD2 LEU A 79 -19.237 -0.361 -2.226 1.00 0.00 C ATOM 0 H LEU A 79 -21.836 0.736 -4.672 1.00 0.00 H new ATOM 0 HA LEU A 79 -21.729 -1.583 -2.948 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -22.300 1.302 -2.212 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -21.783 0.011 -1.145 1.00 0.00 H new ATOM 0 HG LEU A 79 -20.152 1.103 -3.436 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -18.795 2.216 -1.637 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -20.475 2.803 -1.666 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -19.963 1.631 -0.428 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -18.223 -0.005 -2.409 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -19.306 -0.754 -1.212 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -19.478 -1.150 -2.938 1.00 0.00 H new ATOM 1156 N ARG A 80 -24.092 -1.137 -1.716 1.00 0.00 N ATOM 1157 CA ARG A 80 -25.446 -1.399 -1.237 1.00 0.00 C ATOM 1158 C ARG A 80 -25.800 -0.346 -0.194 1.00 0.00 C ATOM 1159 O ARG A 80 -24.896 0.165 0.468 1.00 0.00 O ATOM 1160 CB ARG A 80 -25.533 -2.806 -0.620 1.00 0.00 C ATOM 1161 CG ARG A 80 -25.141 -3.883 -1.629 1.00 0.00 C ATOM 1162 CD ARG A 80 -25.331 -5.290 -1.060 1.00 0.00 C ATOM 1163 NE ARG A 80 -25.006 -6.329 -2.056 1.00 0.00 N ATOM 1164 CZ ARG A 80 -25.888 -6.921 -2.869 1.00 0.00 C ATOM 1165 NH1 ARG A 80 -27.138 -6.486 -2.936 1.00 0.00 N ATOM 1166 NH2 ARG A 80 -25.527 -7.962 -3.609 1.00 0.00 N ATOM 0 H ARG A 80 -23.401 -1.201 -0.968 1.00 0.00 H new ATOM 0 HA ARG A 80 -26.148 -1.351 -2.069 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -24.878 -2.865 0.250 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -26.548 -2.988 -0.267 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -25.742 -3.772 -2.532 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -24.100 -3.746 -1.921 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -24.697 -5.416 -0.182 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -26.362 -5.413 -0.729 1.00 0.00 H new ATOM 0 HE ARG A 80 -24.031 -6.619 -2.131 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -27.434 -5.694 -2.365 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -27.804 -6.943 -3.559 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -24.572 -8.316 -3.560 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -26.205 -8.408 -4.227 1.00 0.00 H new ATOM 1180 N PRO A 81 -27.082 0.002 -0.042 1.00 0.00 N ATOM 1181 CA PRO A 81 -27.528 1.027 0.888 1.00 0.00 C ATOM 1182 C PRO A 81 -27.639 0.443 2.290 1.00 0.00 C ATOM 1183 O PRO A 81 -27.790 -0.771 2.444 1.00 0.00 O ATOM 1184 CB PRO A 81 -28.865 1.463 0.308 1.00 0.00 C ATOM 1185 CG PRO A 81 -29.446 0.168 -0.260 1.00 0.00 C ATOM 1186 CD PRO A 81 -28.210 -0.580 -0.748 1.00 0.00 C ATOM 0 HA PRO A 81 -26.848 1.872 0.994 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -29.513 1.893 1.072 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -28.739 2.220 -0.466 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -29.987 -0.398 0.499 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -30.146 0.362 -1.072 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -28.292 -1.647 -0.539 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -28.091 -0.475 -1.826 1.00 0.00 H new ATOM 1194 N ASN A 82 -27.561 1.306 3.306 1.00 0.00 N ATOM 1195 CA ASN A 82 -27.663 0.942 4.722 1.00 0.00 C ATOM 1196 C ASN A 82 -26.665 -0.168 5.102 1.00 0.00 C ATOM 1197 O ASN A 82 -26.873 -0.913 6.058 1.00 0.00 O ATOM 1198 CB ASN A 82 -29.138 0.585 5.026 1.00 0.00 C ATOM 1199 CG ASN A 82 -29.598 0.973 6.422 1.00 0.00 C ATOM 1200 OD1 ASN A 82 -28.901 0.752 7.402 1.00 0.00 O ATOM 1201 ND2 ASN A 82 -30.796 1.515 6.573 1.00 0.00 N ATOM 0 H ASN A 82 -27.421 2.306 3.162 1.00 0.00 H new ATOM 0 HA ASN A 82 -27.380 1.787 5.350 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -29.778 1.079 4.294 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -29.275 -0.489 4.896 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -31.137 1.748 7.506 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -31.379 1.700 5.756 1.00 0.00 H new ATOM 1208 N THR A 83 -25.557 -0.264 4.365 1.00 0.00 N ATOM 1209 CA THR A 83 -24.581 -1.342 4.420 1.00 0.00 C ATOM 1210 C THR A 83 -23.240 -0.735 4.811 1.00 0.00 C ATOM 1211 O THR A 83 -22.838 0.295 4.262 1.00 0.00 O ATOM 1212 CB THR A 83 -24.588 -2.124 3.084 1.00 0.00 C ATOM 1213 OG1 THR A 83 -25.885 -2.623 2.808 1.00 0.00 O ATOM 1214 CG2 THR A 83 -23.663 -3.336 3.119 1.00 0.00 C ATOM 0 H THR A 83 -25.308 0.448 3.679 1.00 0.00 H new ATOM 0 HA THR A 83 -24.822 -2.088 5.177 1.00 0.00 H new ATOM 0 HB THR A 83 -24.253 -1.418 2.324 1.00 0.00 H new ATOM 0 HG1 THR A 83 -26.438 -1.907 2.431 1.00 0.00 H new ATOM 0 HG21 THR A 83 -23.703 -3.852 2.160 1.00 0.00 H new ATOM 0 HG22 THR A 83 -22.642 -3.009 3.313 1.00 0.00 H new ATOM 0 HG23 THR A 83 -23.983 -4.015 3.909 1.00 0.00 H new ATOM 1222 N ILE A 84 -22.605 -1.323 5.826 1.00 0.00 N ATOM 1223 CA ILE A 84 -21.243 -1.010 6.224 1.00 0.00 C ATOM 1224 C ILE A 84 -20.269 -1.488 5.155 1.00 0.00 C ATOM 1225 O ILE A 84 -20.418 -2.581 4.603 1.00 0.00 O ATOM 1226 CB ILE A 84 -20.928 -1.665 7.588 1.00 0.00 C ATOM 1227 CG1 ILE A 84 -21.671 -0.990 8.758 1.00 0.00 C ATOM 1228 CG2 ILE A 84 -19.414 -1.698 7.909 1.00 0.00 C ATOM 1229 CD1 ILE A 84 -21.537 0.533 8.829 1.00 0.00 C ATOM 0 H ILE A 84 -23.037 -2.045 6.403 1.00 0.00 H new ATOM 0 HA ILE A 84 -21.136 0.070 6.330 1.00 0.00 H new ATOM 0 HB ILE A 84 -21.284 -2.690 7.486 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -22.729 -1.242 8.688 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -21.304 -1.414 9.693 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -19.258 -2.170 8.879 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -18.891 -2.268 7.140 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -19.025 -0.680 7.934 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -22.096 0.908 9.686 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -20.486 0.801 8.936 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -21.934 0.976 7.916 1.00 0.00 H new ATOM 1241 N TYR A 85 -19.206 -0.704 4.991 1.00 0.00 N ATOM 1242 CA TYR A 85 -18.014 -1.031 4.229 1.00 0.00 C ATOM 1243 C TYR A 85 -16.796 -0.535 4.975 1.00 0.00 C ATOM 1244 O TYR A 85 -16.856 0.444 5.718 1.00 0.00 O ATOM 1245 CB TYR A 85 -18.068 -0.348 2.855 1.00 0.00 C ATOM 1246 CG TYR A 85 -19.177 -0.875 1.983 1.00 0.00 C ATOM 1247 CD1 TYR A 85 -20.461 -0.301 2.034 1.00 0.00 C ATOM 1248 CD2 TYR A 85 -18.937 -2.007 1.191 1.00 0.00 C ATOM 1249 CE1 TYR A 85 -21.519 -0.891 1.327 1.00 0.00 C ATOM 1250 CE2 TYR A 85 -19.986 -2.595 0.472 1.00 0.00 C ATOM 1251 CZ TYR A 85 -21.281 -2.052 0.560 1.00 0.00 C ATOM 1252 OH TYR A 85 -22.295 -2.642 -0.118 1.00 0.00 O ATOM 0 H TYR A 85 -19.155 0.224 5.410 1.00 0.00 H new ATOM 0 HA TYR A 85 -17.959 -2.111 4.096 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -18.200 0.725 2.993 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -17.114 -0.489 2.347 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -20.631 0.592 2.617 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -17.943 -2.426 1.135 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -22.508 -0.460 1.369 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -19.801 -3.461 -0.147 1.00 0.00 H new ATOM 0 HH TYR A 85 -21.956 -3.429 -0.594 1.00 0.00 H new ATOM 1262 N LEU A 86 -15.681 -1.202 4.717 1.00 0.00 N ATOM 1263 CA LEU A 86 -14.342 -0.711 4.964 1.00 0.00 C ATOM 1264 C LEU A 86 -13.724 -0.399 3.635 1.00 0.00 C ATOM 1265 O LEU A 86 -14.175 -0.930 2.628 1.00 0.00 O ATOM 1266 CB LEU A 86 -13.499 -1.772 5.676 1.00 0.00 C ATOM 1267 CG LEU A 86 -14.045 -2.133 7.059 1.00 0.00 C ATOM 1268 CD1 LEU A 86 -13.475 -3.472 7.481 1.00 0.00 C ATOM 1269 CD2 LEU A 86 -13.677 -1.082 8.104 1.00 0.00 C ATOM 0 H LEU A 86 -15.690 -2.139 4.313 1.00 0.00 H new ATOM 0 HA LEU A 86 -14.383 0.173 5.600 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -13.459 -2.671 5.060 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -12.476 -1.409 5.778 1.00 0.00 H new ATOM 0 HG LEU A 86 -15.132 -2.178 6.993 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -13.859 -3.737 8.466 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -13.768 -4.235 6.760 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -12.388 -3.408 7.521 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -14.083 -1.374 9.073 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -12.592 -1.003 8.174 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -14.093 -0.118 7.812 1.00 0.00 H new ATOM 1281 N PHE A 87 -12.658 0.391 3.669 1.00 0.00 N ATOM 1282 CA PHE A 87 -11.816 0.695 2.534 1.00 0.00 C ATOM 1283 C PHE A 87 -10.364 0.695 3.013 1.00 0.00 C ATOM 1284 O PHE A 87 -10.092 1.256 4.074 1.00 0.00 O ATOM 1285 CB PHE A 87 -12.248 2.037 1.913 1.00 0.00 C ATOM 1286 CG PHE A 87 -13.711 2.083 1.517 1.00 0.00 C ATOM 1287 CD1 PHE A 87 -14.131 1.365 0.385 1.00 0.00 C ATOM 1288 CD2 PHE A 87 -14.658 2.798 2.280 1.00 0.00 C ATOM 1289 CE1 PHE A 87 -15.491 1.327 0.035 1.00 0.00 C ATOM 1290 CE2 PHE A 87 -16.014 2.794 1.902 1.00 0.00 C ATOM 1291 CZ PHE A 87 -16.433 2.050 0.787 1.00 0.00 C ATOM 0 H PHE A 87 -12.350 0.852 4.525 1.00 0.00 H new ATOM 0 HA PHE A 87 -11.914 -0.053 1.747 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -12.048 2.838 2.625 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -11.636 2.233 1.033 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -13.405 0.840 -0.219 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -14.343 3.348 3.154 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -15.813 0.741 -0.813 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -16.734 3.364 2.471 1.00 0.00 H new ATOM 0 HZ PHE A 87 -17.476 2.033 0.508 1.00 0.00 H new ATOM 1301 N MET A 88 -9.443 0.072 2.269 1.00 0.00 N ATOM 1302 CA MET A 88 -7.993 0.224 2.431 1.00 0.00 C ATOM 1303 C MET A 88 -7.431 0.657 1.091 1.00 0.00 C ATOM 1304 O MET A 88 -7.811 0.114 0.052 1.00 0.00 O ATOM 1305 CB MET A 88 -7.283 -1.079 2.827 1.00 0.00 C ATOM 1306 CG MET A 88 -7.581 -1.510 4.258 1.00 0.00 C ATOM 1307 SD MET A 88 -6.389 -2.676 4.979 1.00 0.00 S ATOM 1308 CE MET A 88 -6.597 -4.100 3.882 1.00 0.00 C ATOM 0 H MET A 88 -9.693 -0.570 1.517 1.00 0.00 H new ATOM 0 HA MET A 88 -7.824 0.947 3.229 1.00 0.00 H new ATOM 0 HB2 MET A 88 -7.586 -1.873 2.144 1.00 0.00 H new ATOM 0 HB3 MET A 88 -6.207 -0.950 2.709 1.00 0.00 H new ATOM 0 HG2 MET A 88 -7.621 -0.621 4.887 1.00 0.00 H new ATOM 0 HG3 MET A 88 -8.571 -1.965 4.285 1.00 0.00 H new ATOM 0 HE1 MET A 88 -6.409 -5.018 4.438 1.00 0.00 H new ATOM 0 HE2 MET A 88 -7.615 -4.114 3.493 1.00 0.00 H new ATOM 0 HE3 MET A 88 -5.893 -4.027 3.053 1.00 0.00 H new ATOM 1318 N VAL A 89 -6.546 1.640 1.086 1.00 0.00 N ATOM 1319 CA VAL A 89 -5.824 2.076 -0.099 1.00 0.00 C ATOM 1320 C VAL A 89 -4.478 1.335 -0.088 1.00 0.00 C ATOM 1321 O VAL A 89 -3.866 1.143 0.972 1.00 0.00 O ATOM 1322 CB VAL A 89 -5.646 3.608 -0.052 1.00 0.00 C ATOM 1323 CG1 VAL A 89 -5.034 4.161 -1.348 1.00 0.00 C ATOM 1324 CG2 VAL A 89 -6.971 4.339 0.160 1.00 0.00 C ATOM 0 H VAL A 89 -6.304 2.169 1.924 1.00 0.00 H new ATOM 0 HA VAL A 89 -6.359 1.848 -1.021 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.977 3.785 0.790 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -4.928 5.243 -1.268 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.054 3.711 -1.508 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.685 3.922 -2.189 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -6.793 5.414 0.186 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -7.652 4.103 -0.658 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -7.415 4.022 1.104 1.00 0.00 H new ATOM 1334 N ARG A 90 -3.979 0.965 -1.262 1.00 0.00 N ATOM 1335 CA ARG A 90 -2.576 0.634 -1.485 1.00 0.00 C ATOM 1336 C ARG A 90 -2.073 1.593 -2.544 1.00 0.00 C ATOM 1337 O ARG A 90 -2.850 2.011 -3.396 1.00 0.00 O ATOM 1338 CB ARG A 90 -2.423 -0.811 -1.979 1.00 0.00 C ATOM 1339 CG ARG A 90 -2.694 -1.866 -0.897 1.00 0.00 C ATOM 1340 CD ARG A 90 -2.244 -3.245 -1.388 1.00 0.00 C ATOM 1341 NE ARG A 90 -1.020 -3.699 -0.702 1.00 0.00 N ATOM 1342 CZ ARG A 90 -0.567 -4.952 -0.571 1.00 0.00 C ATOM 1343 NH1 ARG A 90 -1.313 -6.009 -0.863 1.00 0.00 N ATOM 1344 NH2 ARG A 90 0.684 -5.121 -0.163 1.00 0.00 N ATOM 0 H ARG A 90 -4.550 0.885 -2.103 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.010 0.721 -0.558 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -3.106 -0.975 -2.813 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.412 -0.949 -2.363 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -2.163 -1.605 0.018 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -3.756 -1.886 -0.654 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -3.043 -3.968 -1.222 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -2.066 -3.208 -2.463 1.00 0.00 H new ATOM 0 HE ARG A 90 -0.449 -2.969 -0.275 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -2.267 -5.882 -1.200 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -0.932 -6.949 -0.750 1.00 0.00 H new ATOM 0 HH21 ARG A 90 1.268 -4.310 0.040 1.00 0.00 H new ATOM 0 HH22 ARG A 90 1.062 -6.062 -0.052 1.00 0.00 H new ATOM 1358 N ALA A 91 -0.792 1.923 -2.529 1.00 0.00 N ATOM 1359 CA ALA A 91 -0.119 2.448 -3.699 1.00 0.00 C ATOM 1360 C ALA A 91 0.392 1.250 -4.506 1.00 0.00 C ATOM 1361 O ALA A 91 0.422 0.117 -4.017 1.00 0.00 O ATOM 1362 CB ALA A 91 0.987 3.412 -3.265 1.00 0.00 C ATOM 0 H ALA A 91 -0.194 1.834 -1.708 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.786 3.028 -4.336 1.00 0.00 H new ATOM 0 HB1 ALA A 91 1.493 3.806 -4.146 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.551 4.235 -2.698 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.707 2.883 -2.640 1.00 0.00 H new ATOM 1368 N ILE A 92 0.762 1.511 -5.751 1.00 0.00 N ATOM 1369 CA ILE A 92 1.254 0.565 -6.739 1.00 0.00 C ATOM 1370 C ILE A 92 2.463 1.175 -7.437 1.00 0.00 C ATOM 1371 O ILE A 92 2.542 2.397 -7.577 1.00 0.00 O ATOM 1372 CB ILE A 92 0.087 0.207 -7.692 1.00 0.00 C ATOM 1373 CG1 ILE A 92 -0.292 -1.245 -7.402 1.00 0.00 C ATOM 1374 CG2 ILE A 92 0.354 0.421 -9.193 1.00 0.00 C ATOM 1375 CD1 ILE A 92 -1.561 -1.673 -8.123 1.00 0.00 C ATOM 0 H ILE A 92 0.723 2.460 -6.123 1.00 0.00 H new ATOM 0 HA ILE A 92 1.594 -0.369 -6.291 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.727 0.902 -7.488 1.00 0.00 H new ATOM 0 HG12 ILE A 92 0.529 -1.897 -7.700 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.427 -1.374 -6.328 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -0.530 0.138 -9.764 1.00 0.00 H new ATOM 0 HG22 ILE A 92 0.583 1.471 -9.376 1.00 0.00 H new ATOM 0 HG23 ILE A 92 1.198 -0.194 -9.504 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.784 -2.712 -7.882 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.390 -1.041 -7.806 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -1.419 -1.573 -9.199 1.00 0.00 H new ATOM 1387 N ASN A 93 3.375 0.337 -7.932 1.00 0.00 N ATOM 1388 CA ASN A 93 4.663 0.767 -8.496 1.00 0.00 C ATOM 1389 C ASN A 93 5.267 -0.323 -9.417 1.00 0.00 C ATOM 1390 O ASN A 93 4.659 -1.389 -9.549 1.00 0.00 O ATOM 1391 CB ASN A 93 5.598 1.196 -7.335 1.00 0.00 C ATOM 1392 CG ASN A 93 6.621 0.158 -6.898 1.00 0.00 C ATOM 1393 OD1 ASN A 93 6.392 -1.043 -6.960 1.00 0.00 O ATOM 1394 ND2 ASN A 93 7.783 0.595 -6.461 1.00 0.00 N ATOM 0 H ASN A 93 3.242 -0.674 -7.954 1.00 0.00 H new ATOM 0 HA ASN A 93 4.523 1.633 -9.143 1.00 0.00 H new ATOM 0 HB2 ASN A 93 6.129 2.100 -7.635 1.00 0.00 H new ATOM 0 HB3 ASN A 93 4.983 1.458 -6.474 1.00 0.00 H new ATOM 0 HD21 ASN A 93 8.501 -0.069 -6.171 1.00 0.00 H new ATOM 0 HD22 ASN A 93 7.965 1.597 -6.413 1.00 0.00 H new ATOM 1401 N PRO A 94 6.436 -0.101 -10.062 1.00 0.00 N ATOM 1402 CA PRO A 94 7.083 -1.058 -10.966 1.00 0.00 C ATOM 1403 C PRO A 94 7.455 -2.441 -10.404 1.00 0.00 C ATOM 1404 O PRO A 94 8.022 -3.232 -11.163 1.00 0.00 O ATOM 1405 CB PRO A 94 8.381 -0.376 -11.425 1.00 0.00 C ATOM 1406 CG PRO A 94 8.143 1.115 -11.245 1.00 0.00 C ATOM 1407 CD PRO A 94 7.163 1.165 -10.077 1.00 0.00 C ATOM 0 HA PRO A 94 6.350 -1.282 -11.741 1.00 0.00 H new ATOM 0 HB2 PRO A 94 9.232 -0.712 -10.832 1.00 0.00 H new ATOM 0 HB3 PRO A 94 8.603 -0.615 -12.465 1.00 0.00 H new ATOM 0 HG2 PRO A 94 9.067 1.647 -11.020 1.00 0.00 H new ATOM 0 HG3 PRO A 94 7.724 1.569 -12.143 1.00 0.00 H new ATOM 0 HD2 PRO A 94 7.694 1.314 -9.137 1.00 0.00 H new ATOM 0 HD3 PRO A 94 6.474 2.002 -10.190 1.00 0.00 H new ATOM 1415 N GLN A 95 7.265 -2.719 -9.110 1.00 0.00 N ATOM 1416 CA GLN A 95 7.759 -3.915 -8.418 1.00 0.00 C ATOM 1417 C GLN A 95 6.649 -4.593 -7.615 1.00 0.00 C ATOM 1418 O GLN A 95 6.612 -5.821 -7.538 1.00 0.00 O ATOM 1419 CB GLN A 95 8.923 -3.533 -7.473 1.00 0.00 C ATOM 1420 CG GLN A 95 10.154 -2.936 -8.179 1.00 0.00 C ATOM 1421 CD GLN A 95 10.940 -3.958 -8.993 1.00 0.00 C ATOM 1422 OE1 GLN A 95 12.006 -4.419 -8.591 1.00 0.00 O ATOM 1423 NE2 GLN A 95 10.466 -4.311 -10.169 1.00 0.00 N ATOM 0 H GLN A 95 6.744 -2.095 -8.493 1.00 0.00 H new ATOM 0 HA GLN A 95 8.112 -4.618 -9.173 1.00 0.00 H new ATOM 0 HB2 GLN A 95 8.557 -2.814 -6.740 1.00 0.00 H new ATOM 0 HB3 GLN A 95 9.232 -4.421 -6.922 1.00 0.00 H new ATOM 0 HG2 GLN A 95 9.831 -2.129 -8.837 1.00 0.00 H new ATOM 0 HG3 GLN A 95 10.813 -2.493 -7.432 1.00 0.00 H new ATOM 0 HE21 GLN A 95 9.581 -3.926 -10.499 1.00 0.00 H new ATOM 0 HE22 GLN A 95 10.984 -4.970 -10.751 1.00 0.00 H new ATOM 1432 N GLY A 96 5.752 -3.825 -6.999 1.00 0.00 N ATOM 1433 CA GLY A 96 4.813 -4.346 -6.027 1.00 0.00 C ATOM 1434 C GLY A 96 3.760 -3.310 -5.679 1.00 0.00 C ATOM 1435 O GLY A 96 3.668 -2.248 -6.304 1.00 0.00 O ATOM 0 H GLY A 96 5.662 -2.823 -7.165 1.00 0.00 H new ATOM 0 HA2 GLY A 96 4.332 -5.240 -6.424 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.346 -4.645 -5.125 1.00 0.00 H new ATOM 1439 N LEU A 97 2.960 -3.612 -4.659 1.00 0.00 N ATOM 1440 CA LEU A 97 2.084 -2.661 -3.989 1.00 0.00 C ATOM 1441 C LEU A 97 2.772 -2.158 -2.718 1.00 0.00 C ATOM 1442 O LEU A 97 3.698 -2.807 -2.231 1.00 0.00 O ATOM 1443 CB LEU A 97 0.767 -3.343 -3.608 1.00 0.00 C ATOM 1444 CG LEU A 97 0.091 -4.082 -4.777 1.00 0.00 C ATOM 1445 CD1 LEU A 97 0.292 -5.593 -4.647 1.00 0.00 C ATOM 1446 CD2 LEU A 97 -1.411 -3.831 -4.813 1.00 0.00 C ATOM 0 H LEU A 97 2.904 -4.552 -4.267 1.00 0.00 H new ATOM 0 HA LEU A 97 1.877 -1.827 -4.660 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.955 -4.052 -2.802 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.079 -2.593 -3.218 1.00 0.00 H new ATOM 0 HG LEU A 97 0.552 -3.701 -5.688 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.193 -6.098 -5.482 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.358 -5.820 -4.655 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.146 -5.939 -3.711 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.850 -4.370 -5.652 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -1.860 -4.179 -3.883 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.599 -2.764 -4.929 1.00 0.00 H new ATOM 1458 N SER A 98 2.271 -1.087 -2.115 1.00 0.00 N ATOM 1459 CA SER A 98 2.724 -0.605 -0.815 1.00 0.00 C ATOM 1460 C SER A 98 2.245 -1.546 0.289 1.00 0.00 C ATOM 1461 O SER A 98 1.364 -2.391 0.071 1.00 0.00 O ATOM 1462 CB SER A 98 2.201 0.814 -0.568 1.00 0.00 C ATOM 1463 OG SER A 98 0.788 0.839 -0.421 1.00 0.00 O ATOM 0 H SER A 98 1.527 -0.520 -2.521 1.00 0.00 H new ATOM 0 HA SER A 98 3.814 -0.582 -0.807 1.00 0.00 H new ATOM 0 HB2 SER A 98 2.667 1.222 0.329 1.00 0.00 H new ATOM 0 HB3 SER A 98 2.491 1.458 -1.398 1.00 0.00 H new ATOM 0 HG SER A 98 0.540 0.412 0.425 1.00 0.00 H new ATOM 1469 N ASP A 99 2.784 -1.383 1.494 1.00 0.00 N ATOM 1470 CA ASP A 99 2.068 -1.779 2.703 1.00 0.00 C ATOM 1471 C ASP A 99 0.630 -1.223 2.675 1.00 0.00 C ATOM 1472 O ASP A 99 0.381 -0.174 2.064 1.00 0.00 O ATOM 1473 CB ASP A 99 2.805 -1.283 3.955 1.00 0.00 C ATOM 1474 CG ASP A 99 3.911 -2.246 4.371 1.00 0.00 C ATOM 1475 OD1 ASP A 99 3.590 -3.430 4.613 1.00 0.00 O ATOM 1476 OD2 ASP A 99 5.084 -1.826 4.524 1.00 0.00 O ATOM 0 H ASP A 99 3.707 -0.982 1.659 1.00 0.00 H new ATOM 0 HA ASP A 99 2.025 -2.868 2.738 1.00 0.00 H new ATOM 0 HB2 ASP A 99 3.232 -0.299 3.761 1.00 0.00 H new ATOM 0 HB3 ASP A 99 2.095 -1.167 4.774 1.00 0.00 H new ATOM 1481 N PRO A 100 -0.339 -1.904 3.310 1.00 0.00 N ATOM 1482 CA PRO A 100 -1.724 -1.462 3.335 1.00 0.00 C ATOM 1483 C PRO A 100 -1.878 -0.294 4.313 1.00 0.00 C ATOM 1484 O PRO A 100 -1.390 -0.351 5.449 1.00 0.00 O ATOM 1485 CB PRO A 100 -2.532 -2.693 3.758 1.00 0.00 C ATOM 1486 CG PRO A 100 -1.555 -3.501 4.613 1.00 0.00 C ATOM 1487 CD PRO A 100 -0.180 -3.154 4.039 1.00 0.00 C ATOM 0 HA PRO A 100 -2.073 -1.092 2.371 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -3.420 -2.412 4.324 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -2.872 -3.263 2.894 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -1.628 -3.229 5.666 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -1.757 -4.570 4.546 1.00 0.00 H new ATOM 0 HD2 PRO A 100 0.557 -3.048 4.835 1.00 0.00 H new ATOM 0 HD3 PRO A 100 0.176 -3.945 3.379 1.00 0.00 H new ATOM 1495 N SER A 101 -2.564 0.762 3.875 1.00 0.00 N ATOM 1496 CA SER A 101 -2.986 1.870 4.731 1.00 0.00 C ATOM 1497 C SER A 101 -3.894 1.411 5.895 1.00 0.00 C ATOM 1498 O SER A 101 -4.391 0.277 5.903 1.00 0.00 O ATOM 1499 CB SER A 101 -3.701 2.916 3.860 1.00 0.00 C ATOM 1500 OG SER A 101 -4.756 2.339 3.126 1.00 0.00 O ATOM 0 H SER A 101 -2.846 0.873 2.901 1.00 0.00 H new ATOM 0 HA SER A 101 -2.100 2.304 5.194 1.00 0.00 H new ATOM 0 HB2 SER A 101 -4.090 3.714 4.493 1.00 0.00 H new ATOM 0 HB3 SER A 101 -2.986 3.372 3.175 1.00 0.00 H new ATOM 0 HG SER A 101 -4.401 1.928 2.311 1.00 0.00 H new ATOM 1506 N PRO A 102 -4.157 2.293 6.874 1.00 0.00 N ATOM 1507 CA PRO A 102 -5.278 2.156 7.798 1.00 0.00 C ATOM 1508 C PRO A 102 -6.605 1.898 7.068 1.00 0.00 C ATOM 1509 O PRO A 102 -6.918 2.617 6.117 1.00 0.00 O ATOM 1510 CB PRO A 102 -5.340 3.506 8.515 1.00 0.00 C ATOM 1511 CG PRO A 102 -3.903 4.006 8.495 1.00 0.00 C ATOM 1512 CD PRO A 102 -3.415 3.520 7.139 1.00 0.00 C ATOM 0 HA PRO A 102 -5.135 1.309 8.469 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -6.009 4.198 8.004 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -5.710 3.399 9.535 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -3.848 5.091 8.583 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -3.315 3.589 9.313 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -3.600 4.265 6.365 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -2.341 3.334 7.152 1.00 0.00 H new ATOM 1520 N MET A 103 -7.439 0.963 7.547 1.00 0.00 N ATOM 1521 CA MET A 103 -8.826 0.894 7.094 1.00 0.00 C ATOM 1522 C MET A 103 -9.541 2.202 7.432 1.00 0.00 C ATOM 1523 O MET A 103 -9.272 2.808 8.472 1.00 0.00 O ATOM 1524 CB MET A 103 -9.592 -0.277 7.731 1.00 0.00 C ATOM 1525 CG MET A 103 -8.985 -1.640 7.396 1.00 0.00 C ATOM 1526 SD MET A 103 -8.426 -2.655 8.779 1.00 0.00 S ATOM 1527 CE MET A 103 -9.983 -3.482 9.169 1.00 0.00 C ATOM 0 H MET A 103 -7.178 0.258 8.236 1.00 0.00 H new ATOM 0 HA MET A 103 -8.807 0.733 6.016 1.00 0.00 H new ATOM 0 HB2 MET A 103 -9.607 -0.148 8.813 1.00 0.00 H new ATOM 0 HB3 MET A 103 -10.628 -0.254 7.393 1.00 0.00 H new ATOM 0 HG2 MET A 103 -9.725 -2.211 6.835 1.00 0.00 H new ATOM 0 HG3 MET A 103 -8.137 -1.478 6.731 1.00 0.00 H new ATOM 0 HE1 MET A 103 -9.843 -4.133 10.032 1.00 0.00 H new ATOM 0 HE2 MET A 103 -10.744 -2.736 9.397 1.00 0.00 H new ATOM 0 HE3 MET A 103 -10.303 -4.077 8.314 1.00 0.00 H new ATOM 1537 N SER A 104 -10.521 2.573 6.614 1.00 0.00 N ATOM 1538 CA SER A 104 -11.313 3.794 6.704 1.00 0.00 C ATOM 1539 C SER A 104 -12.110 3.973 7.980 1.00 0.00 C ATOM 1540 O SER A 104 -12.630 5.074 8.159 1.00 0.00 O ATOM 1541 CB SER A 104 -12.312 3.778 5.537 1.00 0.00 C ATOM 1542 OG SER A 104 -13.129 2.617 5.613 1.00 0.00 O ATOM 0 H SER A 104 -10.800 1.993 5.822 1.00 0.00 H new ATOM 0 HA SER A 104 -10.599 4.617 6.680 1.00 0.00 H new ATOM 0 HB2 SER A 104 -12.934 4.673 5.567 1.00 0.00 H new ATOM 0 HB3 SER A 104 -11.776 3.794 4.588 1.00 0.00 H new ATOM 0 HG SER A 104 -13.727 2.688 6.386 1.00 0.00 H new ATOM 1548 N ASP A 105 -12.184 2.936 8.825 1.00 0.00 N ATOM 1549 CA ASP A 105 -13.232 2.676 9.813 1.00 0.00 C ATOM 1550 C ASP A 105 -14.560 2.374 9.091 1.00 0.00 C ATOM 1551 O ASP A 105 -14.753 2.800 7.945 1.00 0.00 O ATOM 1552 CB ASP A 105 -13.254 3.794 10.865 1.00 0.00 C ATOM 1553 CG ASP A 105 -14.551 4.025 11.644 1.00 0.00 C ATOM 1554 OD1 ASP A 105 -15.351 4.893 11.212 1.00 0.00 O ATOM 1555 OD2 ASP A 105 -14.689 3.491 12.761 1.00 0.00 O ATOM 0 H ASP A 105 -11.466 2.212 8.835 1.00 0.00 H new ATOM 0 HA ASP A 105 -13.029 1.776 10.394 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -12.464 3.588 11.587 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -12.994 4.727 10.365 1.00 0.00 H new ATOM 1560 N PRO A 106 -15.408 1.503 9.665 1.00 0.00 N ATOM 1561 CA PRO A 106 -16.571 0.966 8.973 1.00 0.00 C ATOM 1562 C PRO A 106 -17.612 2.067 8.764 1.00 0.00 C ATOM 1563 O PRO A 106 -18.112 2.628 9.742 1.00 0.00 O ATOM 1564 CB PRO A 106 -17.098 -0.190 9.823 1.00 0.00 C ATOM 1565 CG PRO A 106 -16.423 -0.032 11.175 1.00 0.00 C ATOM 1566 CD PRO A 106 -15.170 0.784 10.903 1.00 0.00 C ATOM 0 HA PRO A 106 -16.319 0.597 7.979 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -18.183 -0.146 9.917 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -16.856 -1.152 9.372 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -17.077 0.475 11.884 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -16.175 -1.002 11.607 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -14.972 1.476 11.722 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -14.297 0.137 10.814 1.00 0.00 H new ATOM 1574 N VAL A 107 -17.947 2.379 7.513 1.00 0.00 N ATOM 1575 CA VAL A 107 -18.829 3.481 7.134 1.00 0.00 C ATOM 1576 C VAL A 107 -20.104 2.948 6.505 1.00 0.00 C ATOM 1577 O VAL A 107 -20.057 2.109 5.601 1.00 0.00 O ATOM 1578 CB VAL A 107 -18.105 4.463 6.189 1.00 0.00 C ATOM 1579 CG1 VAL A 107 -17.267 5.402 7.063 1.00 0.00 C ATOM 1580 CG2 VAL A 107 -17.260 3.789 5.095 1.00 0.00 C ATOM 0 H VAL A 107 -17.601 1.855 6.710 1.00 0.00 H new ATOM 0 HA VAL A 107 -19.102 4.031 8.034 1.00 0.00 H new ATOM 0 HB VAL A 107 -18.856 5.016 5.625 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -16.738 6.114 6.429 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -17.921 5.942 7.748 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -16.545 4.819 7.635 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -16.788 4.553 4.478 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -16.491 3.170 5.558 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -17.901 3.165 4.473 1.00 0.00 H new ATOM 1590 N ARG A 108 -21.253 3.446 6.963 1.00 0.00 N ATOM 1591 CA ARG A 108 -22.538 3.104 6.365 1.00 0.00 C ATOM 1592 C ARG A 108 -22.746 3.951 5.116 1.00 0.00 C ATOM 1593 O ARG A 108 -22.373 5.128 5.085 1.00 0.00 O ATOM 1594 CB ARG A 108 -23.677 3.350 7.371 1.00 0.00 C ATOM 1595 CG ARG A 108 -24.894 2.423 7.171 1.00 0.00 C ATOM 1596 CD ARG A 108 -24.819 1.164 8.046 1.00 0.00 C ATOM 1597 NE ARG A 108 -26.141 0.609 8.371 1.00 0.00 N ATOM 1598 CZ ARG A 108 -26.594 0.214 9.569 1.00 0.00 C ATOM 1599 NH1 ARG A 108 -25.883 0.329 10.683 1.00 0.00 N ATOM 1600 NH2 ARG A 108 -27.814 -0.293 9.643 1.00 0.00 N ATOM 0 H ARG A 108 -21.317 4.091 7.751 1.00 0.00 H new ATOM 0 HA ARG A 108 -22.543 2.048 6.094 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -23.292 3.216 8.382 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -24.004 4.387 7.289 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -25.807 2.971 7.404 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -24.957 2.131 6.123 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -24.229 0.405 7.531 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -24.294 1.402 8.971 1.00 0.00 H new ATOM 0 HE ARG A 108 -26.792 0.513 7.591 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -24.947 0.733 10.651 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -26.272 0.013 11.571 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -28.384 -0.375 8.801 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -28.184 -0.602 10.542 1.00 0.00 H new ATOM 1614 N THR A 109 -23.387 3.374 4.113 1.00 0.00 N ATOM 1615 CA THR A 109 -23.984 4.109 3.016 1.00 0.00 C ATOM 1616 C THR A 109 -25.234 4.869 3.484 1.00 0.00 C ATOM 1617 O THR A 109 -25.767 4.613 4.571 1.00 0.00 O ATOM 1618 CB THR A 109 -24.272 3.111 1.882 1.00 0.00 C ATOM 1619 OG1 THR A 109 -24.771 1.892 2.400 1.00 0.00 O ATOM 1620 CG2 THR A 109 -23.004 2.804 1.082 1.00 0.00 C ATOM 0 H THR A 109 -23.508 2.364 4.039 1.00 0.00 H new ATOM 0 HA THR A 109 -23.303 4.873 2.641 1.00 0.00 H new ATOM 0 HB THR A 109 -25.015 3.573 1.232 1.00 0.00 H new ATOM 0 HG1 THR A 109 -24.825 1.229 1.681 1.00 0.00 H new ATOM 0 HG21 THR A 109 -23.238 2.096 0.287 1.00 0.00 H new ATOM 0 HG22 THR A 109 -22.617 3.725 0.645 1.00 0.00 H new ATOM 0 HG23 THR A 109 -22.252 2.372 1.743 1.00 0.00 H new ATOM 1628 N GLN A 110 -25.732 5.772 2.624 1.00 0.00 N ATOM 1629 CA GLN A 110 -27.066 6.352 2.761 1.00 0.00 C ATOM 1630 C GLN A 110 -28.134 5.267 2.576 1.00 0.00 C ATOM 1631 O GLN A 110 -27.871 4.061 2.554 1.00 0.00 O ATOM 1632 CB GLN A 110 -27.322 7.497 1.760 1.00 0.00 C ATOM 1633 CG GLN A 110 -26.339 8.644 1.843 1.00 0.00 C ATOM 1634 CD GLN A 110 -26.846 9.909 1.125 1.00 0.00 C ATOM 1635 OE1 GLN A 110 -27.680 9.837 0.227 1.00 0.00 O ATOM 1636 NE2 GLN A 110 -26.371 11.086 1.492 1.00 0.00 N ATOM 0 H GLN A 110 -25.216 6.117 1.815 1.00 0.00 H new ATOM 0 HA GLN A 110 -27.125 6.773 3.765 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -27.298 7.089 0.749 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -28.327 7.886 1.924 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -26.146 8.877 2.890 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -25.390 8.337 1.404 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -25.678 11.146 2.238 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -26.697 11.934 1.029 1.00 0.00 H new ATOM 1645 N ASP A 111 -29.368 5.720 2.430 1.00 0.00 N ATOM 1646 CA ASP A 111 -30.593 4.919 2.583 1.00 0.00 C ATOM 1647 C ASP A 111 -31.383 4.761 1.287 1.00 0.00 C ATOM 1648 O ASP A 111 -32.486 4.229 1.261 1.00 0.00 O ATOM 1649 CB ASP A 111 -31.441 5.491 3.721 1.00 0.00 C ATOM 1650 CG ASP A 111 -32.305 4.415 4.375 1.00 0.00 C ATOM 1651 OD1 ASP A 111 -31.794 3.299 4.648 1.00 0.00 O ATOM 1652 OD2 ASP A 111 -33.478 4.701 4.691 1.00 0.00 O ATOM 0 H ASP A 111 -29.562 6.693 2.192 1.00 0.00 H new ATOM 0 HA ASP A 111 -30.295 3.904 2.844 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -30.789 5.940 4.470 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -32.079 6.286 3.336 1.00 0.00 H new ATOM 1657 N SER A 112 -30.770 5.208 0.196 1.00 0.00 N ATOM 1658 CA SER A 112 -31.191 5.123 -1.186 1.00 0.00 C ATOM 1659 C SER A 112 -32.348 6.054 -1.556 1.00 0.00 C ATOM 1660 O SER A 112 -32.647 6.178 -2.747 1.00 0.00 O ATOM 1661 CB SER A 112 -31.369 3.656 -1.594 1.00 0.00 C ATOM 1662 OG SER A 112 -31.190 3.435 -2.987 1.00 0.00 O ATOM 0 H SER A 112 -29.873 5.688 0.273 1.00 0.00 H new ATOM 0 HA SER A 112 -30.388 5.524 -1.804 1.00 0.00 H new ATOM 0 HB2 SER A 112 -30.657 3.043 -1.041 1.00 0.00 H new ATOM 0 HB3 SER A 112 -32.366 3.324 -1.306 1.00 0.00 H new ATOM 0 HG SER A 112 -31.552 4.195 -3.488 1.00 0.00 H new ATOM 1668 N GLY A 113 -32.897 6.799 -0.597 1.00 0.00 N ATOM 1669 CA GLY A 113 -33.720 7.964 -0.858 1.00 0.00 C ATOM 1670 C GLY A 113 -32.892 9.018 -1.598 1.00 0.00 C ATOM 1671 O GLY A 113 -31.909 9.485 -1.017 1.00 0.00 O ATOM 0 H GLY A 113 -32.776 6.601 0.396 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -34.588 7.683 -1.455 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -34.097 8.374 0.079 1.00 0.00 H new ATOM 1675 N PRO A 114 -33.228 9.386 -2.850 1.00 0.00 N ATOM 1676 CA PRO A 114 -32.543 10.447 -3.575 1.00 0.00 C ATOM 1677 C PRO A 114 -32.934 11.790 -2.951 1.00 0.00 C ATOM 1678 O PRO A 114 -33.979 12.351 -3.294 1.00 0.00 O ATOM 1679 CB PRO A 114 -32.991 10.299 -5.037 1.00 0.00 C ATOM 1680 CG PRO A 114 -34.388 9.687 -4.929 1.00 0.00 C ATOM 1681 CD PRO A 114 -34.326 8.854 -3.649 1.00 0.00 C ATOM 0 HA PRO A 114 -31.456 10.392 -3.525 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -33.014 11.262 -5.548 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -32.315 9.656 -5.600 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -35.158 10.456 -4.868 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -34.622 9.070 -5.796 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -35.267 8.916 -3.102 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -34.161 7.802 -3.881 1.00 0.00 H new ATOM 1689 N SER A 115 -32.139 12.284 -1.999 1.00 0.00 N ATOM 1690 CA SER A 115 -32.466 13.497 -1.274 1.00 0.00 C ATOM 1691 C SER A 115 -31.188 14.220 -0.861 1.00 0.00 C ATOM 1692 O SER A 115 -30.571 13.867 0.142 1.00 0.00 O ATOM 1693 CB SER A 115 -33.371 13.160 -0.078 1.00 0.00 C ATOM 1694 OG SER A 115 -33.901 14.342 0.501 1.00 0.00 O ATOM 0 H SER A 115 -31.259 11.853 -1.716 1.00 0.00 H new ATOM 0 HA SER A 115 -33.022 14.179 -1.917 1.00 0.00 H new ATOM 0 HB2 SER A 115 -34.185 12.512 -0.403 1.00 0.00 H new ATOM 0 HB3 SER A 115 -32.803 12.607 0.670 1.00 0.00 H new ATOM 0 HG SER A 115 -34.475 14.106 1.259 1.00 0.00 H new ATOM 1700 N SER A 116 -30.822 15.250 -1.621 1.00 0.00 N ATOM 1701 CA SER A 116 -30.061 16.391 -1.140 1.00 0.00 C ATOM 1702 C SER A 116 -30.324 17.593 -2.040 1.00 0.00 C ATOM 1703 O SER A 116 -30.900 17.479 -3.128 1.00 0.00 O ATOM 1704 CB SER A 116 -28.561 16.082 -1.089 1.00 0.00 C ATOM 1705 OG SER A 116 -28.183 15.841 0.248 1.00 0.00 O ATOM 0 H SER A 116 -31.054 15.312 -2.612 1.00 0.00 H new ATOM 0 HA SER A 116 -30.384 16.618 -0.124 1.00 0.00 H new ATOM 0 HB2 SER A 116 -28.335 15.212 -1.706 1.00 0.00 H new ATOM 0 HB3 SER A 116 -27.991 16.917 -1.496 1.00 0.00 H new ATOM 0 HG SER A 116 -28.772 15.161 0.637 1.00 0.00 H new ATOM 1711 N GLY A 117 -29.856 18.745 -1.595 1.00 0.00 N ATOM 1712 CA GLY A 117 -30.070 20.051 -2.166 1.00 0.00 C ATOM 1713 C GLY A 117 -30.262 20.966 -0.985 1.00 0.00 C ATOM 1714 O GLY A 117 -31.185 21.801 -1.070 1.00 0.00 O ATOM 0 H GLY A 117 -29.272 18.789 -0.760 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -29.218 20.361 -2.771 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -30.944 20.059 -2.817 1.00 0.00 H new TER 1718 GLY A 117