USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 641 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 3 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -115:sc= 0.0595 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 14:sc= 0.223 USER MOD Single : A 6 SER OG : rot 48:sc= 0.277 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.0127 X(o=-0.013,f=-0.17) USER MOD Single : A 17 GLN : amide:sc= -0.0685 K(o=-0.069,f=-1.3!) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0.42) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.199 USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 TYR OH : rot -16:sc= 0.43 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.087) USER MOD Single : A 60 ASN : amide:sc= -3.84! C(o=-3.8!,f=-8.3!) USER MOD Single : A 63 GLN : amide:sc= 0.0146 X(o=0.015,f=-0.3) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 117:sc= 1.1 USER MOD Single : A 68 TYR OH : rot 177:sc= -0.81 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot -6:sc= 1.3 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.504 27.798 19.807 1.00 0.00 N ATOM 2 CA GLY A 1 -12.177 28.976 19.025 1.00 0.00 C ATOM 3 C GLY A 1 -11.811 28.638 17.594 1.00 0.00 C ATOM 4 O GLY A 1 -11.480 27.494 17.284 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.505 27.835 20.088 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.336 26.945 19.236 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.906 27.769 20.658 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.027 29.658 19.028 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.346 29.501 19.495 1.00 0.00 H new ATOM 8 N SER A 2 -11.871 29.636 16.718 1.00 0.00 N ATOM 9 CA SER A 2 -11.548 29.438 15.310 1.00 0.00 C ATOM 10 C SER A 2 -10.597 30.523 14.813 1.00 0.00 C ATOM 11 O SER A 2 -10.813 31.711 15.052 1.00 0.00 O ATOM 12 CB SER A 2 -12.825 29.438 14.467 1.00 0.00 C ATOM 13 OG SER A 2 -13.609 30.590 14.728 1.00 0.00 O ATOM 0 H SER A 2 -12.140 30.590 16.959 1.00 0.00 H new ATOM 0 HA SER A 2 -11.054 28.472 15.208 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.566 29.403 13.409 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.407 28.542 14.683 1.00 0.00 H new ATOM 0 HG SER A 2 -14.418 30.567 14.176 1.00 0.00 H new ATOM 19 N SER A 3 -9.543 30.104 14.119 1.00 0.00 N ATOM 20 CA SER A 3 -8.556 31.039 13.590 1.00 0.00 C ATOM 21 C SER A 3 -7.986 30.536 12.268 1.00 0.00 C ATOM 22 O SER A 3 -7.810 29.334 12.071 1.00 0.00 O ATOM 23 CB SER A 3 -7.426 31.244 14.601 1.00 0.00 C ATOM 24 OG SER A 3 -6.737 30.031 14.849 1.00 0.00 O ATOM 0 H SER A 3 -9.351 29.124 13.910 1.00 0.00 H new ATOM 0 HA SER A 3 -9.053 31.993 13.412 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.728 31.992 14.224 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.835 31.631 15.534 1.00 0.00 H new ATOM 0 HG SER A 3 -6.019 30.189 15.497 1.00 0.00 H new ATOM 30 N GLY A 4 -7.699 31.466 11.362 1.00 0.00 N ATOM 31 CA GLY A 4 -7.152 31.099 10.069 1.00 0.00 C ATOM 32 C GLY A 4 -6.351 32.221 9.439 1.00 0.00 C ATOM 33 O GLY A 4 -6.867 32.973 8.612 1.00 0.00 O ATOM 0 H GLY A 4 -7.836 32.467 11.501 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.515 30.222 10.183 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.966 30.818 9.400 1.00 0.00 H new ATOM 37 N SER A 5 -5.086 32.336 9.831 1.00 0.00 N ATOM 38 CA SER A 5 -4.214 33.378 9.302 1.00 0.00 C ATOM 39 C SER A 5 -2.765 32.902 9.258 1.00 0.00 C ATOM 40 O SER A 5 -2.406 31.909 9.890 1.00 0.00 O ATOM 41 CB SER A 5 -4.321 34.643 10.155 1.00 0.00 C ATOM 42 OG SER A 5 -5.477 35.390 9.816 1.00 0.00 O ATOM 0 H SER A 5 -4.642 31.721 10.513 1.00 0.00 H new ATOM 0 HA SER A 5 -4.535 33.605 8.285 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.356 34.372 11.210 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.432 35.258 10.013 1.00 0.00 H new ATOM 0 HG SER A 5 -6.074 34.838 9.269 1.00 0.00 H new ATOM 48 N SER A 6 -1.936 33.620 8.507 1.00 0.00 N ATOM 49 CA SER A 6 -0.526 33.271 8.376 1.00 0.00 C ATOM 50 C SER A 6 0.184 33.362 9.724 1.00 0.00 C ATOM 51 O SER A 6 0.404 34.452 10.250 1.00 0.00 O ATOM 52 CB SER A 6 0.158 34.192 7.364 1.00 0.00 C ATOM 53 OG SER A 6 -0.108 35.553 7.652 1.00 0.00 O ATOM 0 H SER A 6 -2.216 34.447 7.980 1.00 0.00 H new ATOM 0 HA SER A 6 -0.464 32.243 8.020 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.234 34.018 7.378 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.190 33.955 6.359 1.00 0.00 H new ATOM 0 HG SER A 6 0.052 35.723 8.604 1.00 0.00 H new ATOM 59 N GLY A 7 0.540 32.207 10.277 1.00 0.00 N ATOM 60 CA GLY A 7 1.221 32.177 11.559 1.00 0.00 C ATOM 61 C GLY A 7 1.587 30.770 11.988 1.00 0.00 C ATOM 62 O GLY A 7 1.470 29.814 11.221 1.00 0.00 O ATOM 0 H GLY A 7 0.369 31.292 9.861 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.125 32.783 11.501 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.582 32.630 12.317 1.00 0.00 H new ATOM 66 N PRO A 8 2.042 30.630 13.242 1.00 0.00 N ATOM 67 CA PRO A 8 2.437 29.333 13.800 1.00 0.00 C ATOM 68 C PRO A 8 1.244 28.411 14.026 1.00 0.00 C ATOM 69 O PRO A 8 1.387 27.312 14.561 1.00 0.00 O ATOM 70 CB PRO A 8 3.087 29.704 15.135 1.00 0.00 C ATOM 71 CG PRO A 8 2.470 31.009 15.506 1.00 0.00 C ATOM 72 CD PRO A 8 2.207 31.726 14.211 1.00 0.00 C ATOM 0 HA PRO A 8 3.096 28.784 13.127 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.895 28.945 15.894 1.00 0.00 H new ATOM 0 HB3 PRO A 8 4.169 29.791 15.038 1.00 0.00 H new ATOM 0 HG2 PRO A 8 1.546 30.859 16.064 1.00 0.00 H new ATOM 0 HG3 PRO A 8 3.137 31.588 16.144 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.314 32.348 14.270 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.034 32.381 13.939 1.00 0.00 H new ATOM 80 N LYS A 9 0.065 28.867 13.616 1.00 0.00 N ATOM 81 CA LYS A 9 -1.155 28.083 13.772 1.00 0.00 C ATOM 82 C LYS A 9 -0.928 26.634 13.352 1.00 0.00 C ATOM 83 O LYS A 9 -0.268 26.348 12.354 1.00 0.00 O ATOM 84 CB LYS A 9 -2.288 28.694 12.943 1.00 0.00 C ATOM 85 CG LYS A 9 -2.545 30.158 13.251 1.00 0.00 C ATOM 86 CD LYS A 9 -3.533 30.323 14.393 1.00 0.00 C ATOM 87 CE LYS A 9 -2.822 30.473 15.729 1.00 0.00 C ATOM 88 NZ LYS A 9 -3.651 29.968 16.858 1.00 0.00 N ATOM 0 H LYS A 9 -0.072 29.776 13.173 1.00 0.00 H new ATOM 0 HA LYS A 9 -1.435 28.098 14.825 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -2.049 28.591 11.885 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -3.203 28.128 13.120 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.605 30.647 13.508 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.930 30.656 12.361 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.157 31.198 14.212 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -4.197 29.459 14.428 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -1.877 29.930 15.701 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.581 31.523 15.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -3.131 30.088 17.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.542 30.503 16.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.860 28.960 16.712 1.00 0.00 H new ATOM 102 N PRO A 10 -1.489 25.697 14.131 1.00 0.00 N ATOM 103 CA PRO A 10 -1.363 24.262 13.859 1.00 0.00 C ATOM 104 C PRO A 10 -2.142 23.837 12.619 1.00 0.00 C ATOM 105 O PRO A 10 -3.002 24.571 12.131 1.00 0.00 O ATOM 106 CB PRO A 10 -1.954 23.610 15.111 1.00 0.00 C ATOM 107 CG PRO A 10 -2.894 24.627 15.660 1.00 0.00 C ATOM 108 CD PRO A 10 -2.289 25.966 15.338 1.00 0.00 C ATOM 0 HA PRO A 10 -0.331 23.974 13.659 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -2.472 22.683 14.867 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -1.176 23.360 15.832 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -3.882 24.527 15.212 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -3.018 24.503 16.736 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -3.055 26.719 15.153 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -1.670 26.335 16.156 1.00 0.00 H new ATOM 116 N LEU A 11 -1.836 22.648 12.112 1.00 0.00 N ATOM 117 CA LEU A 11 -2.508 22.124 10.928 1.00 0.00 C ATOM 118 C LEU A 11 -4.022 22.151 11.105 1.00 0.00 C ATOM 119 O LEU A 11 -4.556 21.602 12.070 1.00 0.00 O ATOM 120 CB LEU A 11 -2.041 20.695 10.643 1.00 0.00 C ATOM 121 CG LEU A 11 -2.348 20.156 9.245 1.00 0.00 C ATOM 122 CD1 LEU A 11 -3.850 20.123 9.004 1.00 0.00 C ATOM 123 CD2 LEU A 11 -1.653 20.997 8.184 1.00 0.00 C ATOM 0 H LEU A 11 -1.126 22.028 12.503 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.249 22.760 10.082 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.963 20.648 10.801 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.500 20.031 11.376 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.968 19.137 9.178 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.050 19.737 8.004 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.323 19.477 9.744 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.255 21.131 9.091 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.883 20.599 7.196 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.002 22.027 8.250 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.575 20.968 8.345 1.00 0.00 H new ATOM 135 N LYS A 12 -4.711 22.791 10.167 1.00 0.00 N ATOM 136 CA LYS A 12 -6.165 22.888 10.216 1.00 0.00 C ATOM 137 C LYS A 12 -6.805 22.010 9.145 1.00 0.00 C ATOM 138 O LYS A 12 -7.668 21.185 9.439 1.00 0.00 O ATOM 139 CB LYS A 12 -6.607 24.341 10.031 1.00 0.00 C ATOM 140 CG LYS A 12 -6.540 25.164 11.306 1.00 0.00 C ATOM 141 CD LYS A 12 -7.707 24.858 12.230 1.00 0.00 C ATOM 142 CE LYS A 12 -8.994 25.496 11.732 1.00 0.00 C ATOM 143 NZ LYS A 12 -10.171 25.078 12.543 1.00 0.00 N ATOM 0 H LYS A 12 -4.285 23.251 9.362 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.495 22.537 11.194 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.979 24.809 9.273 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.629 24.356 9.652 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.602 24.960 11.823 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.542 26.225 11.056 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.840 23.779 12.305 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.484 25.222 13.233 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -8.898 26.581 11.765 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -9.156 25.222 10.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -11.028 25.535 12.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -10.279 24.045 12.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -10.029 25.362 13.533 1.00 0.00 H new ATOM 157 N ASN A 13 -6.375 22.195 7.901 1.00 0.00 N ATOM 158 CA ASN A 13 -6.905 21.419 6.786 1.00 0.00 C ATOM 159 C ASN A 13 -7.206 19.986 7.214 1.00 0.00 C ATOM 160 O ASN A 13 -6.316 19.258 7.655 1.00 0.00 O ATOM 161 CB ASN A 13 -5.913 21.417 5.621 1.00 0.00 C ATOM 162 CG ASN A 13 -5.759 22.787 4.990 1.00 0.00 C ATOM 163 OD1 ASN A 13 -4.958 23.605 5.443 1.00 0.00 O ATOM 164 ND2 ASN A 13 -6.528 23.045 3.939 1.00 0.00 N ATOM 0 H ASN A 13 -5.661 22.875 7.640 1.00 0.00 H new ATOM 0 HA ASN A 13 -7.835 21.886 6.462 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.942 21.072 5.975 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -6.247 20.707 4.864 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -6.469 23.951 3.474 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -7.178 22.338 3.597 1.00 0.00 H new ATOM 171 N LEU A 14 -8.466 19.587 7.081 1.00 0.00 N ATOM 172 CA LEU A 14 -8.886 18.240 7.454 1.00 0.00 C ATOM 173 C LEU A 14 -9.473 17.501 6.256 1.00 0.00 C ATOM 174 O LEU A 14 -10.480 16.804 6.376 1.00 0.00 O ATOM 175 CB LEU A 14 -9.914 18.300 8.585 1.00 0.00 C ATOM 176 CG LEU A 14 -9.351 18.454 9.998 1.00 0.00 C ATOM 177 CD1 LEU A 14 -10.458 18.803 10.979 1.00 0.00 C ATOM 178 CD2 LEU A 14 -8.635 17.182 10.428 1.00 0.00 C ATOM 0 H LEU A 14 -9.215 20.177 6.718 1.00 0.00 H new ATOM 0 HA LEU A 14 -8.007 17.694 7.799 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -10.589 19.134 8.392 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -10.514 17.391 8.552 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.628 19.270 9.994 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -10.038 18.908 11.979 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -10.926 19.741 10.681 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -11.206 18.010 10.981 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.241 17.310 11.436 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.336 16.348 10.416 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.814 16.976 9.741 1.00 0.00 H new ATOM 190 N ASP A 15 -8.836 17.658 5.101 1.00 0.00 N ATOM 191 CA ASP A 15 -9.293 17.003 3.880 1.00 0.00 C ATOM 192 C ASP A 15 -9.484 15.507 4.106 1.00 0.00 C ATOM 193 O ASP A 15 -10.575 14.974 3.907 1.00 0.00 O ATOM 194 CB ASP A 15 -8.294 17.237 2.746 1.00 0.00 C ATOM 195 CG ASP A 15 -8.158 18.704 2.387 1.00 0.00 C ATOM 196 OD1 ASP A 15 -7.901 19.517 3.299 1.00 0.00 O ATOM 197 OD2 ASP A 15 -8.308 19.038 1.193 1.00 0.00 O ATOM 0 H ASP A 15 -8.002 18.233 4.984 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.254 17.436 3.602 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.319 16.846 3.038 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.611 16.678 1.865 1.00 0.00 H new ATOM 202 N GLY A 16 -8.415 14.834 4.521 1.00 0.00 N ATOM 203 CA GLY A 16 -8.486 13.405 4.765 1.00 0.00 C ATOM 204 C GLY A 16 -7.316 12.655 4.160 1.00 0.00 C ATOM 205 O GLY A 16 -6.803 11.709 4.757 1.00 0.00 O ATOM 0 H GLY A 16 -7.501 15.253 4.693 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.513 13.224 5.840 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.416 13.015 4.352 1.00 0.00 H new ATOM 209 N GLN A 17 -6.896 13.076 2.972 1.00 0.00 N ATOM 210 CA GLN A 17 -5.781 12.435 2.285 1.00 0.00 C ATOM 211 C GLN A 17 -4.713 11.989 3.279 1.00 0.00 C ATOM 212 O GLN A 17 -4.014 11.001 3.053 1.00 0.00 O ATOM 213 CB GLN A 17 -5.170 13.389 1.257 1.00 0.00 C ATOM 214 CG GLN A 17 -6.001 13.533 -0.008 1.00 0.00 C ATOM 215 CD GLN A 17 -5.677 14.798 -0.778 1.00 0.00 C ATOM 216 OE1 GLN A 17 -5.355 15.831 -0.191 1.00 0.00 O ATOM 217 NE2 GLN A 17 -5.761 14.723 -2.101 1.00 0.00 N ATOM 0 H GLN A 17 -7.311 13.858 2.465 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.164 11.554 1.770 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.045 14.371 1.714 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.175 13.033 0.990 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -5.832 12.668 -0.650 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -7.059 13.533 0.255 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -6.032 13.846 -2.546 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -5.555 15.542 -2.672 1.00 0.00 H new ATOM 226 N PHE A 18 -4.593 12.724 4.380 1.00 0.00 N ATOM 227 CA PHE A 18 -3.609 12.405 5.408 1.00 0.00 C ATOM 228 C PHE A 18 -3.881 11.030 6.013 1.00 0.00 C ATOM 229 O PHE A 18 -4.988 10.750 6.474 1.00 0.00 O ATOM 230 CB PHE A 18 -3.626 13.470 6.507 1.00 0.00 C ATOM 231 CG PHE A 18 -3.419 14.866 5.992 1.00 0.00 C ATOM 232 CD1 PHE A 18 -4.490 15.613 5.528 1.00 0.00 C ATOM 233 CD2 PHE A 18 -2.154 15.431 5.971 1.00 0.00 C ATOM 234 CE1 PHE A 18 -4.303 16.897 5.054 1.00 0.00 C ATOM 235 CE2 PHE A 18 -1.962 16.715 5.499 1.00 0.00 C ATOM 236 CZ PHE A 18 -3.037 17.449 5.038 1.00 0.00 C ATOM 0 H PHE A 18 -5.165 13.544 4.583 1.00 0.00 H new ATOM 0 HA PHE A 18 -2.624 12.389 4.941 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.580 13.423 7.033 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -2.848 13.241 7.236 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -5.482 15.186 5.537 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -1.309 14.861 6.328 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.146 17.469 4.696 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.971 17.145 5.491 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.888 18.452 4.666 1.00 0.00 H new ATOM 246 N CYS A 19 -2.863 10.177 6.006 1.00 0.00 N ATOM 247 CA CYS A 19 -2.989 8.831 6.552 1.00 0.00 C ATOM 248 C CYS A 19 -3.526 8.871 7.980 1.00 0.00 C ATOM 249 O CYS A 19 -3.355 9.862 8.689 1.00 0.00 O ATOM 250 CB CYS A 19 -1.636 8.117 6.524 1.00 0.00 C ATOM 251 SG CYS A 19 -1.633 6.497 7.357 1.00 0.00 S ATOM 0 H CYS A 19 -1.941 10.394 5.628 1.00 0.00 H new ATOM 0 HA CYS A 19 -3.696 8.280 5.932 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -1.331 7.981 5.487 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -0.890 8.757 6.995 1.00 0.00 H new ATOM 256 N GLU A 20 -4.176 7.787 8.393 1.00 0.00 N ATOM 257 CA GLU A 20 -4.738 7.700 9.735 1.00 0.00 C ATOM 258 C GLU A 20 -3.883 6.803 10.626 1.00 0.00 C ATOM 259 O GLU A 20 -3.671 7.099 11.802 1.00 0.00 O ATOM 260 CB GLU A 20 -6.170 7.164 9.679 1.00 0.00 C ATOM 261 CG GLU A 20 -7.219 8.248 9.494 1.00 0.00 C ATOM 262 CD GLU A 20 -7.549 8.966 10.788 1.00 0.00 C ATOM 263 OE1 GLU A 20 -8.448 8.493 11.516 1.00 0.00 O ATOM 264 OE2 GLU A 20 -6.911 10.000 11.073 1.00 0.00 O ATOM 0 H GLU A 20 -4.326 6.958 7.818 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.749 8.703 10.162 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.250 6.449 8.860 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.381 6.619 10.599 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.863 8.972 8.761 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.127 7.804 9.087 1.00 0.00 H new ATOM 271 N ILE A 21 -3.394 5.706 10.057 1.00 0.00 N ATOM 272 CA ILE A 21 -2.562 4.767 10.798 1.00 0.00 C ATOM 273 C ILE A 21 -1.455 5.492 11.556 1.00 0.00 C ATOM 274 O ILE A 21 -1.416 5.476 12.786 1.00 0.00 O ATOM 275 CB ILE A 21 -1.928 3.719 9.865 1.00 0.00 C ATOM 276 CG1 ILE A 21 -3.015 2.962 9.098 1.00 0.00 C ATOM 277 CG2 ILE A 21 -1.065 2.752 10.662 1.00 0.00 C ATOM 278 CD1 ILE A 21 -2.477 2.109 7.971 1.00 0.00 C ATOM 0 H ILE A 21 -3.560 5.446 9.085 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.215 4.261 11.509 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.292 4.234 9.145 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.564 2.327 9.794 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -3.728 3.679 8.691 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.624 2.018 9.988 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.272 3.303 11.167 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.680 2.241 11.403 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -3.303 1.602 7.472 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.953 2.741 7.254 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.786 1.368 8.373 1.00 0.00 H new ATOM 290 N CYS A 22 -0.557 6.130 10.813 1.00 0.00 N ATOM 291 CA CYS A 22 0.550 6.864 11.413 1.00 0.00 C ATOM 292 C CYS A 22 0.240 8.356 11.483 1.00 0.00 C ATOM 293 O CYS A 22 0.446 8.996 12.513 1.00 0.00 O ATOM 294 CB CYS A 22 1.834 6.636 10.612 1.00 0.00 C ATOM 295 SG CYS A 22 1.810 7.370 8.944 1.00 0.00 S ATOM 0 H CYS A 22 -0.575 6.153 9.793 1.00 0.00 H new ATOM 0 HA CYS A 22 0.691 6.492 12.428 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.675 7.051 11.168 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.009 5.564 10.523 1.00 0.00 H new ATOM 300 N GLY A 23 -0.259 8.904 10.379 1.00 0.00 N ATOM 301 CA GLY A 23 -0.590 10.317 10.336 1.00 0.00 C ATOM 302 C GLY A 23 0.001 11.014 9.127 1.00 0.00 C ATOM 303 O GLY A 23 -0.645 11.865 8.516 1.00 0.00 O ATOM 0 H GLY A 23 -0.440 8.395 9.514 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.674 10.433 10.325 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.227 10.800 11.243 1.00 0.00 H new ATOM 307 N ASP A 24 1.233 10.656 8.783 1.00 0.00 N ATOM 308 CA ASP A 24 1.912 11.254 7.640 1.00 0.00 C ATOM 309 C ASP A 24 0.925 11.547 6.514 1.00 0.00 C ATOM 310 O ASP A 24 -0.041 10.811 6.316 1.00 0.00 O ATOM 311 CB ASP A 24 3.020 10.328 7.136 1.00 0.00 C ATOM 312 CG ASP A 24 4.180 10.231 8.107 1.00 0.00 C ATOM 313 OD1 ASP A 24 4.540 11.266 8.708 1.00 0.00 O ATOM 314 OD2 ASP A 24 4.728 9.121 8.267 1.00 0.00 O ATOM 0 H ASP A 24 1.782 9.954 9.280 1.00 0.00 H new ATOM 0 HA ASP A 24 2.356 12.195 7.964 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.608 9.333 6.966 1.00 0.00 H new ATOM 0 HB3 ASP A 24 3.384 10.691 6.175 1.00 0.00 H new ATOM 319 N GLN A 25 1.176 12.627 5.780 1.00 0.00 N ATOM 320 CA GLN A 25 0.308 13.017 4.676 1.00 0.00 C ATOM 321 C GLN A 25 0.534 12.121 3.463 1.00 0.00 C ATOM 322 O GLN A 25 1.593 12.164 2.836 1.00 0.00 O ATOM 323 CB GLN A 25 0.555 14.479 4.297 1.00 0.00 C ATOM 324 CG GLN A 25 -0.290 14.955 3.127 1.00 0.00 C ATOM 325 CD GLN A 25 0.241 16.231 2.505 1.00 0.00 C ATOM 326 OE1 GLN A 25 -0.002 17.329 3.008 1.00 0.00 O ATOM 327 NE2 GLN A 25 0.972 16.094 1.404 1.00 0.00 N ATOM 0 H GLN A 25 1.972 13.246 5.930 1.00 0.00 H new ATOM 0 HA GLN A 25 -0.726 12.903 5.002 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.351 15.110 5.162 1.00 0.00 H new ATOM 0 HB3 GLN A 25 1.609 14.609 4.050 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.326 14.173 2.368 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.313 15.119 3.465 1.00 0.00 H new ATOM 0 HE21 GLN A 25 1.149 15.165 1.021 1.00 0.00 H new ATOM 0 HE22 GLN A 25 1.357 16.918 0.941 1.00 0.00 H new ATOM 336 N ILE A 26 -0.467 11.309 3.139 1.00 0.00 N ATOM 337 CA ILE A 26 -0.377 10.403 2.000 1.00 0.00 C ATOM 338 C ILE A 26 0.089 11.138 0.748 1.00 0.00 C ATOM 339 O ILE A 26 -0.643 11.948 0.181 1.00 0.00 O ATOM 340 CB ILE A 26 -1.731 9.727 1.711 1.00 0.00 C ATOM 341 CG1 ILE A 26 -2.212 8.953 2.940 1.00 0.00 C ATOM 342 CG2 ILE A 26 -1.614 8.803 0.508 1.00 0.00 C ATOM 343 CD1 ILE A 26 -3.557 8.288 2.746 1.00 0.00 C ATOM 0 H ILE A 26 -1.349 11.260 3.649 1.00 0.00 H new ATOM 0 HA ILE A 26 0.354 9.638 2.262 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.465 10.499 1.482 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.473 8.193 3.193 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.272 9.635 3.788 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.578 8.332 0.316 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.311 9.380 -0.366 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.869 8.034 0.711 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.835 7.758 3.657 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -4.309 9.045 2.523 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.497 7.581 1.918 1.00 0.00 H new ATOM 355 N GLY A 27 1.315 10.848 0.321 1.00 0.00 N ATOM 356 CA GLY A 27 1.858 11.488 -0.863 1.00 0.00 C ATOM 357 C GLY A 27 1.155 11.051 -2.133 1.00 0.00 C ATOM 358 O GLY A 27 -0.044 10.771 -2.123 1.00 0.00 O ATOM 0 H GLY A 27 1.941 10.182 0.774 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.773 12.570 -0.759 1.00 0.00 H new ATOM 0 HA3 GLY A 27 2.920 11.257 -0.942 1.00 0.00 H new ATOM 362 N LEU A 28 1.902 10.993 -3.230 1.00 0.00 N ATOM 363 CA LEU A 28 1.343 10.588 -4.515 1.00 0.00 C ATOM 364 C LEU A 28 1.895 9.233 -4.947 1.00 0.00 C ATOM 365 O LEU A 28 2.896 8.757 -4.409 1.00 0.00 O ATOM 366 CB LEU A 28 1.652 11.640 -5.582 1.00 0.00 C ATOM 367 CG LEU A 28 1.067 13.032 -5.341 1.00 0.00 C ATOM 368 CD1 LEU A 28 1.519 13.996 -6.427 1.00 0.00 C ATOM 369 CD2 LEU A 28 -0.452 12.969 -5.279 1.00 0.00 C ATOM 0 H LEU A 28 2.896 11.221 -3.255 1.00 0.00 H new ATOM 0 HA LEU A 28 0.263 10.500 -4.401 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.735 11.733 -5.669 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.285 11.275 -6.541 1.00 0.00 H new ATOM 0 HG LEU A 28 1.434 13.399 -4.383 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.093 14.982 -6.239 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.607 14.064 -6.423 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.182 13.634 -7.398 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.851 13.969 -5.107 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.839 12.581 -6.221 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.756 12.312 -4.464 1.00 0.00 H new ATOM 381 N THR A 29 1.237 8.615 -5.923 1.00 0.00 N ATOM 382 CA THR A 29 1.662 7.315 -6.427 1.00 0.00 C ATOM 383 C THR A 29 2.854 7.453 -7.367 1.00 0.00 C ATOM 384 O THR A 29 3.183 8.553 -7.812 1.00 0.00 O ATOM 385 CB THR A 29 0.518 6.600 -7.170 1.00 0.00 C ATOM 386 OG1 THR A 29 0.212 7.295 -8.384 1.00 0.00 O ATOM 387 CG2 THR A 29 -0.726 6.519 -6.298 1.00 0.00 C ATOM 0 H THR A 29 0.408 8.994 -6.380 1.00 0.00 H new ATOM 0 HA THR A 29 1.952 6.720 -5.561 1.00 0.00 H new ATOM 0 HB THR A 29 0.844 5.587 -7.405 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.515 6.833 -8.851 1.00 0.00 H new ATOM 0 HG21 THR A 29 -1.520 6.010 -6.844 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.497 5.964 -5.388 1.00 0.00 H new ATOM 0 HG23 THR A 29 -1.053 7.525 -6.036 1.00 0.00 H new ATOM 395 N VAL A 30 3.500 6.330 -7.665 1.00 0.00 N ATOM 396 CA VAL A 30 4.656 6.326 -8.554 1.00 0.00 C ATOM 397 C VAL A 30 4.395 7.168 -9.798 1.00 0.00 C ATOM 398 O VAL A 30 5.288 7.858 -10.290 1.00 0.00 O ATOM 399 CB VAL A 30 5.027 4.894 -8.985 1.00 0.00 C ATOM 400 CG1 VAL A 30 6.147 4.920 -10.014 1.00 0.00 C ATOM 401 CG2 VAL A 30 5.421 4.060 -7.776 1.00 0.00 C ATOM 0 H VAL A 30 3.242 5.411 -7.304 1.00 0.00 H new ATOM 0 HA VAL A 30 5.487 6.756 -7.995 1.00 0.00 H new ATOM 0 HB VAL A 30 4.153 4.433 -9.446 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.396 3.900 -10.307 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.823 5.480 -10.891 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.026 5.398 -9.583 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.680 3.051 -8.098 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.280 4.516 -7.284 1.00 0.00 H new ATOM 0 HG23 VAL A 30 4.585 4.014 -7.078 1.00 0.00 H new ATOM 411 N GLU A 31 3.167 7.106 -10.302 1.00 0.00 N ATOM 412 CA GLU A 31 2.790 7.863 -11.490 1.00 0.00 C ATOM 413 C GLU A 31 2.490 9.317 -11.136 1.00 0.00 C ATOM 414 O GLU A 31 3.034 10.239 -11.741 1.00 0.00 O ATOM 415 CB GLU A 31 1.570 7.228 -12.160 1.00 0.00 C ATOM 416 CG GLU A 31 1.789 5.784 -12.582 1.00 0.00 C ATOM 417 CD GLU A 31 0.557 5.168 -13.215 1.00 0.00 C ATOM 418 OE1 GLU A 31 -0.565 5.562 -12.835 1.00 0.00 O ATOM 419 OE2 GLU A 31 0.715 4.292 -14.091 1.00 0.00 O ATOM 0 H GLU A 31 2.416 6.540 -9.907 1.00 0.00 H new ATOM 0 HA GLU A 31 3.630 7.842 -12.185 1.00 0.00 H new ATOM 0 HB2 GLU A 31 0.725 7.273 -11.473 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.300 7.817 -13.037 1.00 0.00 H new ATOM 0 HG2 GLU A 31 2.618 5.738 -13.289 1.00 0.00 H new ATOM 0 HG3 GLU A 31 2.079 5.195 -11.712 1.00 0.00 H new ATOM 426 N GLY A 32 1.619 9.512 -10.150 1.00 0.00 N ATOM 427 CA GLY A 32 1.260 10.855 -9.732 1.00 0.00 C ATOM 428 C GLY A 32 -0.106 10.913 -9.079 1.00 0.00 C ATOM 429 O GLY A 32 -0.381 11.807 -8.277 1.00 0.00 O ATOM 0 H GLY A 32 1.156 8.764 -9.634 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.009 11.227 -9.033 1.00 0.00 H new ATOM 0 HA3 GLY A 32 1.274 11.518 -10.597 1.00 0.00 H new ATOM 433 N ASP A 33 -0.966 9.961 -9.423 1.00 0.00 N ATOM 434 CA ASP A 33 -2.312 9.908 -8.864 1.00 0.00 C ATOM 435 C ASP A 33 -2.266 9.805 -7.343 1.00 0.00 C ATOM 436 O ASP A 33 -1.207 9.574 -6.757 1.00 0.00 O ATOM 437 CB ASP A 33 -3.082 8.720 -9.444 1.00 0.00 C ATOM 438 CG ASP A 33 -3.321 8.858 -10.935 1.00 0.00 C ATOM 439 OD1 ASP A 33 -2.441 8.443 -11.719 1.00 0.00 O ATOM 440 OD2 ASP A 33 -4.389 9.380 -11.318 1.00 0.00 O ATOM 0 H ASP A 33 -0.755 9.215 -10.086 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.826 10.831 -9.132 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -2.527 7.802 -9.251 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.040 8.627 -8.932 1.00 0.00 H new ATOM 445 N LEU A 34 -3.419 9.980 -6.708 1.00 0.00 N ATOM 446 CA LEU A 34 -3.511 9.908 -5.254 1.00 0.00 C ATOM 447 C LEU A 34 -3.394 8.466 -4.771 1.00 0.00 C ATOM 448 O LEU A 34 -4.108 7.582 -5.245 1.00 0.00 O ATOM 449 CB LEU A 34 -4.832 10.512 -4.775 1.00 0.00 C ATOM 450 CG LEU A 34 -4.933 10.805 -3.278 1.00 0.00 C ATOM 451 CD1 LEU A 34 -5.012 9.510 -2.485 1.00 0.00 C ATOM 452 CD2 LEU A 34 -3.750 11.644 -2.817 1.00 0.00 C ATOM 0 H LEU A 34 -4.304 10.173 -7.177 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.684 10.481 -4.835 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.002 11.441 -5.319 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.639 9.832 -5.047 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.846 11.373 -3.099 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.083 9.738 -1.422 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.892 8.947 -2.795 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.117 8.915 -2.669 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.839 11.843 -1.749 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.823 11.103 -3.010 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.739 12.588 -3.362 1.00 0.00 H new ATOM 464 N PHE A 35 -2.490 8.235 -3.825 1.00 0.00 N ATOM 465 CA PHE A 35 -2.280 6.900 -3.276 1.00 0.00 C ATOM 466 C PHE A 35 -3.333 6.574 -2.221 1.00 0.00 C ATOM 467 O PHE A 35 -3.194 6.944 -1.055 1.00 0.00 O ATOM 468 CB PHE A 35 -0.880 6.790 -2.669 1.00 0.00 C ATOM 469 CG PHE A 35 -0.571 5.425 -2.122 1.00 0.00 C ATOM 470 CD1 PHE A 35 -0.077 4.429 -2.949 1.00 0.00 C ATOM 471 CD2 PHE A 35 -0.772 5.140 -0.781 1.00 0.00 C ATOM 472 CE1 PHE A 35 0.208 3.173 -2.448 1.00 0.00 C ATOM 473 CE2 PHE A 35 -0.488 3.885 -0.275 1.00 0.00 C ATOM 474 CZ PHE A 35 0.003 2.901 -1.110 1.00 0.00 C ATOM 0 H PHE A 35 -1.891 8.955 -3.422 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.373 6.180 -4.089 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.142 7.044 -3.430 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -0.780 7.524 -1.870 1.00 0.00 H new ATOM 0 HD1 PHE A 35 0.087 4.636 -3.996 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -1.155 5.907 -0.124 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.591 2.404 -3.103 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -0.650 3.675 0.772 1.00 0.00 H new ATOM 0 HZ PHE A 35 0.226 1.920 -0.717 1.00 0.00 H new ATOM 484 N VAL A 36 -4.386 5.880 -2.639 1.00 0.00 N ATOM 485 CA VAL A 36 -5.462 5.503 -1.730 1.00 0.00 C ATOM 486 C VAL A 36 -5.465 4.000 -1.475 1.00 0.00 C ATOM 487 O VAL A 36 -6.082 3.235 -2.217 1.00 0.00 O ATOM 488 CB VAL A 36 -6.837 5.921 -2.285 1.00 0.00 C ATOM 489 CG1 VAL A 36 -6.982 5.488 -3.736 1.00 0.00 C ATOM 490 CG2 VAL A 36 -7.955 5.339 -1.432 1.00 0.00 C ATOM 0 H VAL A 36 -4.517 5.567 -3.601 1.00 0.00 H new ATOM 0 HA VAL A 36 -5.282 6.027 -0.791 1.00 0.00 H new ATOM 0 HB VAL A 36 -6.910 7.008 -2.247 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -7.959 5.792 -4.110 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -6.202 5.957 -4.335 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -6.889 4.404 -3.803 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -8.919 5.644 -1.838 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -7.887 4.251 -1.436 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -7.860 5.704 -0.409 1.00 0.00 H new ATOM 500 N ALA A 37 -4.772 3.582 -0.421 1.00 0.00 N ATOM 501 CA ALA A 37 -4.696 2.171 -0.067 1.00 0.00 C ATOM 502 C ALA A 37 -6.050 1.489 -0.235 1.00 0.00 C ATOM 503 O ALA A 37 -6.238 0.674 -1.138 1.00 0.00 O ATOM 504 CB ALA A 37 -4.197 2.011 1.362 1.00 0.00 C ATOM 0 H ALA A 37 -4.255 4.202 0.203 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.989 1.690 -0.743 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -4.145 0.952 1.613 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.205 2.454 1.453 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.883 2.512 2.045 1.00 0.00 H new ATOM 510 N CYS A 38 -6.991 1.828 0.640 1.00 0.00 N ATOM 511 CA CYS A 38 -8.327 1.248 0.590 1.00 0.00 C ATOM 512 C CYS A 38 -9.328 2.239 0.001 1.00 0.00 C ATOM 513 O CYS A 38 -9.274 3.434 0.286 1.00 0.00 O ATOM 514 CB CYS A 38 -8.776 0.825 1.990 1.00 0.00 C ATOM 515 SG CYS A 38 -10.155 -0.366 2.001 1.00 0.00 S ATOM 0 H CYS A 38 -6.852 2.502 1.393 1.00 0.00 H new ATOM 0 HA CYS A 38 -8.290 0.369 -0.053 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.927 0.387 2.515 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -9.072 1.713 2.549 1.00 0.00 H new ATOM 520 N ASN A 39 -10.240 1.731 -0.822 1.00 0.00 N ATOM 521 CA ASN A 39 -11.253 2.571 -1.451 1.00 0.00 C ATOM 522 C ASN A 39 -12.652 2.172 -0.992 1.00 0.00 C ATOM 523 O ASN A 39 -13.517 3.025 -0.794 1.00 0.00 O ATOM 524 CB ASN A 39 -11.156 2.468 -2.975 1.00 0.00 C ATOM 525 CG ASN A 39 -11.854 3.616 -3.677 1.00 0.00 C ATOM 526 OD1 ASN A 39 -11.255 4.662 -3.927 1.00 0.00 O ATOM 527 ND2 ASN A 39 -13.128 3.425 -4.000 1.00 0.00 N ATOM 0 H ASN A 39 -10.298 0.743 -1.069 1.00 0.00 H new ATOM 0 HA ASN A 39 -11.071 3.603 -1.150 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.107 2.450 -3.269 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -11.595 1.525 -3.301 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -13.650 4.162 -4.475 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -13.585 2.542 -3.773 1.00 0.00 H new ATOM 534 N GLU A 40 -12.866 0.871 -0.824 1.00 0.00 N ATOM 535 CA GLU A 40 -14.160 0.360 -0.388 1.00 0.00 C ATOM 536 C GLU A 40 -14.686 1.155 0.803 1.00 0.00 C ATOM 537 O GLU A 40 -15.746 1.777 0.730 1.00 0.00 O ATOM 538 CB GLU A 40 -14.050 -1.121 -0.018 1.00 0.00 C ATOM 539 CG GLU A 40 -15.395 -1.813 0.127 1.00 0.00 C ATOM 540 CD GLU A 40 -16.317 -1.098 1.095 1.00 0.00 C ATOM 541 OE1 GLU A 40 -16.124 -1.247 2.320 1.00 0.00 O ATOM 542 OE2 GLU A 40 -17.233 -0.389 0.627 1.00 0.00 O ATOM 0 H GLU A 40 -12.160 0.152 -0.983 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.862 0.470 -1.214 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -13.467 -1.635 -0.782 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -13.500 -1.213 0.919 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -15.876 -1.873 -0.849 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -15.238 -2.836 0.469 1.00 0.00 H new ATOM 549 N CYS A 41 -13.937 1.129 1.901 1.00 0.00 N ATOM 550 CA CYS A 41 -14.326 1.846 3.109 1.00 0.00 C ATOM 551 C CYS A 41 -13.794 3.276 3.088 1.00 0.00 C ATOM 552 O CYS A 41 -14.475 4.209 3.511 1.00 0.00 O ATOM 553 CB CYS A 41 -13.808 1.116 4.350 1.00 0.00 C ATOM 554 SG CYS A 41 -12.107 1.567 4.822 1.00 0.00 S ATOM 0 H CYS A 41 -13.057 0.619 1.978 1.00 0.00 H new ATOM 0 HA CYS A 41 -15.415 1.882 3.145 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -14.474 1.327 5.187 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -13.851 0.042 4.171 1.00 0.00 H new ATOM 559 N GLY A 42 -12.571 3.440 2.592 1.00 0.00 N ATOM 560 CA GLY A 42 -11.969 4.759 2.525 1.00 0.00 C ATOM 561 C GLY A 42 -10.950 4.987 3.625 1.00 0.00 C ATOM 562 O GLY A 42 -10.816 6.100 4.134 1.00 0.00 O ATOM 0 H GLY A 42 -11.987 2.684 2.236 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.487 4.887 1.555 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -12.750 5.516 2.595 1.00 0.00 H new ATOM 566 N PHE A 43 -10.232 3.931 3.993 1.00 0.00 N ATOM 567 CA PHE A 43 -9.223 4.022 5.042 1.00 0.00 C ATOM 568 C PHE A 43 -7.935 4.639 4.505 1.00 0.00 C ATOM 569 O PHE A 43 -7.236 4.056 3.675 1.00 0.00 O ATOM 570 CB PHE A 43 -8.934 2.635 5.622 1.00 0.00 C ATOM 571 CG PHE A 43 -7.991 2.659 6.790 1.00 0.00 C ATOM 572 CD1 PHE A 43 -8.247 3.463 7.889 1.00 0.00 C ATOM 573 CD2 PHE A 43 -6.847 1.877 6.789 1.00 0.00 C ATOM 574 CE1 PHE A 43 -7.380 3.487 8.964 1.00 0.00 C ATOM 575 CE2 PHE A 43 -5.976 1.896 7.863 1.00 0.00 C ATOM 576 CZ PHE A 43 -6.244 2.702 8.952 1.00 0.00 C ATOM 0 H PHE A 43 -10.330 3.003 3.581 1.00 0.00 H new ATOM 0 HA PHE A 43 -9.612 4.665 5.831 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.873 2.177 5.933 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -8.515 2.003 4.839 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -9.135 4.078 7.905 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -6.633 1.245 5.940 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -7.591 4.120 9.814 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -5.088 1.282 7.850 1.00 0.00 H new ATOM 0 HZ PHE A 43 -5.566 2.718 9.793 1.00 0.00 H new ATOM 586 N PRO A 44 -7.612 5.848 4.988 1.00 0.00 N ATOM 587 CA PRO A 44 -6.407 6.571 4.572 1.00 0.00 C ATOM 588 C PRO A 44 -5.130 5.916 5.087 1.00 0.00 C ATOM 589 O PRO A 44 -4.781 6.052 6.259 1.00 0.00 O ATOM 590 CB PRO A 44 -6.589 7.955 5.200 1.00 0.00 C ATOM 591 CG PRO A 44 -7.480 7.725 6.372 1.00 0.00 C ATOM 592 CD PRO A 44 -8.399 6.601 5.979 1.00 0.00 C ATOM 0 HA PRO A 44 -6.298 6.591 3.488 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.633 8.379 5.507 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -7.036 8.654 4.494 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -6.901 7.464 7.258 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -8.045 8.625 6.615 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -8.665 5.982 6.835 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.331 6.974 5.553 1.00 0.00 H new ATOM 600 N ALA A 45 -4.437 5.205 4.203 1.00 0.00 N ATOM 601 CA ALA A 45 -3.198 4.531 4.569 1.00 0.00 C ATOM 602 C ALA A 45 -2.090 4.838 3.566 1.00 0.00 C ATOM 603 O ALA A 45 -2.180 4.471 2.394 1.00 0.00 O ATOM 604 CB ALA A 45 -3.422 3.030 4.667 1.00 0.00 C ATOM 0 H ALA A 45 -4.713 5.081 3.229 1.00 0.00 H new ATOM 0 HA ALA A 45 -2.885 4.904 5.544 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -2.488 2.540 4.941 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.176 2.824 5.426 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -3.763 2.649 3.704 1.00 0.00 H new ATOM 610 N CYS A 46 -1.045 5.512 4.034 1.00 0.00 N ATOM 611 CA CYS A 46 0.080 5.870 3.179 1.00 0.00 C ATOM 612 C CYS A 46 0.709 4.625 2.559 1.00 0.00 C ATOM 613 O CYS A 46 0.240 3.507 2.775 1.00 0.00 O ATOM 614 CB CYS A 46 1.131 6.641 3.980 1.00 0.00 C ATOM 615 SG CYS A 46 1.783 5.733 5.419 1.00 0.00 S ATOM 0 H CYS A 46 -0.954 5.821 5.002 1.00 0.00 H new ATOM 0 HA CYS A 46 -0.293 6.506 2.376 1.00 0.00 H new ATOM 0 HB2 CYS A 46 1.960 6.897 3.320 1.00 0.00 H new ATOM 0 HB3 CYS A 46 0.695 7.579 4.323 1.00 0.00 H new ATOM 620 N ARG A 47 1.773 4.827 1.789 1.00 0.00 N ATOM 621 CA ARG A 47 2.466 3.722 1.137 1.00 0.00 C ATOM 622 C ARG A 47 3.169 2.840 2.164 1.00 0.00 C ATOM 623 O ARG A 47 3.009 1.619 2.184 1.00 0.00 O ATOM 624 CB ARG A 47 3.482 4.255 0.126 1.00 0.00 C ATOM 625 CG ARG A 47 3.754 3.301 -1.025 1.00 0.00 C ATOM 626 CD ARG A 47 4.047 4.052 -2.315 1.00 0.00 C ATOM 627 NE ARG A 47 5.035 5.110 -2.119 1.00 0.00 N ATOM 628 CZ ARG A 47 6.347 4.906 -2.156 1.00 0.00 C ATOM 629 NH1 ARG A 47 6.827 3.691 -2.380 1.00 0.00 N ATOM 630 NH2 ARG A 47 7.182 5.920 -1.969 1.00 0.00 N ATOM 0 H ARG A 47 2.174 5.746 1.601 1.00 0.00 H new ATOM 0 HA ARG A 47 1.724 3.119 0.613 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.120 5.201 -0.276 1.00 0.00 H new ATOM 0 HB3 ARG A 47 4.419 4.465 0.642 1.00 0.00 H new ATOM 0 HG2 ARG A 47 4.600 2.660 -0.776 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.892 2.649 -1.170 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.410 3.352 -3.068 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.124 4.485 -2.700 1.00 0.00 H new ATOM 0 HE ARG A 47 4.699 6.057 -1.944 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.188 2.909 -2.525 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.835 3.538 -2.408 1.00 0.00 H new ATOM 0 HH21 ARG A 47 6.816 6.857 -1.797 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.189 5.763 -1.997 1.00 0.00 H new ATOM 644 N PRO A 48 3.967 3.470 3.039 1.00 0.00 N ATOM 645 CA PRO A 48 4.710 2.762 4.085 1.00 0.00 C ATOM 646 C PRO A 48 3.795 2.205 5.171 1.00 0.00 C ATOM 647 O PRO A 48 4.257 1.794 6.235 1.00 0.00 O ATOM 648 CB PRO A 48 5.628 3.842 4.661 1.00 0.00 C ATOM 649 CG PRO A 48 4.928 5.126 4.377 1.00 0.00 C ATOM 650 CD PRO A 48 4.204 4.923 3.074 1.00 0.00 C ATOM 0 HA PRO A 48 5.243 1.896 3.691 1.00 0.00 H new ATOM 0 HB2 PRO A 48 5.780 3.703 5.731 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.612 3.816 4.193 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.230 5.375 5.176 1.00 0.00 H new ATOM 0 HG3 PRO A 48 5.638 5.950 4.305 1.00 0.00 H new ATOM 0 HD2 PRO A 48 3.270 5.484 3.042 1.00 0.00 H new ATOM 0 HD3 PRO A 48 4.803 5.253 2.225 1.00 0.00 H new ATOM 658 N CYS A 49 2.496 2.196 4.895 1.00 0.00 N ATOM 659 CA CYS A 49 1.515 1.690 5.848 1.00 0.00 C ATOM 660 C CYS A 49 0.707 0.546 5.242 1.00 0.00 C ATOM 661 O CYS A 49 0.410 -0.442 5.914 1.00 0.00 O ATOM 662 CB CYS A 49 0.575 2.814 6.290 1.00 0.00 C ATOM 663 SG CYS A 49 1.126 3.699 7.784 1.00 0.00 S ATOM 0 H CYS A 49 2.097 2.533 4.019 1.00 0.00 H new ATOM 0 HA CYS A 49 2.052 1.311 6.717 1.00 0.00 H new ATOM 0 HB2 CYS A 49 0.472 3.529 5.474 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -0.414 2.395 6.473 1.00 0.00 H new ATOM 668 N TYR A 50 0.356 0.687 3.969 1.00 0.00 N ATOM 669 CA TYR A 50 -0.419 -0.333 3.272 1.00 0.00 C ATOM 670 C TYR A 50 0.479 -1.476 2.807 1.00 0.00 C ATOM 671 O TYR A 50 0.259 -2.634 3.159 1.00 0.00 O ATOM 672 CB TYR A 50 -1.147 0.279 2.074 1.00 0.00 C ATOM 673 CG TYR A 50 -1.657 -0.747 1.087 1.00 0.00 C ATOM 674 CD1 TYR A 50 -0.856 -1.193 0.043 1.00 0.00 C ATOM 675 CD2 TYR A 50 -2.939 -1.270 1.199 1.00 0.00 C ATOM 676 CE1 TYR A 50 -1.318 -2.129 -0.862 1.00 0.00 C ATOM 677 CE2 TYR A 50 -3.409 -2.208 0.300 1.00 0.00 C ATOM 678 CZ TYR A 50 -2.595 -2.634 -0.729 1.00 0.00 C ATOM 679 OH TYR A 50 -3.059 -3.568 -1.627 1.00 0.00 O ATOM 0 H TYR A 50 0.596 1.498 3.398 1.00 0.00 H new ATOM 0 HA TYR A 50 -1.155 -0.734 3.969 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -1.987 0.873 2.434 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -0.471 0.962 1.559 1.00 0.00 H new ATOM 0 HD1 TYR A 50 0.145 -0.801 -0.063 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -3.579 -0.938 2.003 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.683 -2.464 -1.669 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.408 -2.605 0.402 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.483 -3.574 -2.420 1.00 0.00 H new ATOM 689 N GLU A 51 1.491 -1.139 2.014 1.00 0.00 N ATOM 690 CA GLU A 51 2.422 -2.137 1.500 1.00 0.00 C ATOM 691 C GLU A 51 2.809 -3.133 2.589 1.00 0.00 C ATOM 692 O GLU A 51 2.725 -4.346 2.395 1.00 0.00 O ATOM 693 CB GLU A 51 3.677 -1.458 0.945 1.00 0.00 C ATOM 694 CG GLU A 51 3.525 -0.976 -0.487 1.00 0.00 C ATOM 695 CD GLU A 51 2.298 -0.106 -0.684 1.00 0.00 C ATOM 696 OE1 GLU A 51 1.998 0.708 0.214 1.00 0.00 O ATOM 697 OE2 GLU A 51 1.639 -0.241 -1.736 1.00 0.00 O ATOM 0 H GLU A 51 1.687 -0.184 1.714 1.00 0.00 H new ATOM 0 HA GLU A 51 1.925 -2.680 0.696 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.932 -0.609 1.580 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.512 -2.157 0.997 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.414 -0.414 -0.773 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.465 -1.838 -1.152 1.00 0.00 H new ATOM 704 N TYR A 52 3.233 -2.612 3.735 1.00 0.00 N ATOM 705 CA TYR A 52 3.635 -3.454 4.855 1.00 0.00 C ATOM 706 C TYR A 52 2.531 -4.441 5.219 1.00 0.00 C ATOM 707 O TYR A 52 2.790 -5.621 5.453 1.00 0.00 O ATOM 708 CB TYR A 52 3.985 -2.592 6.069 1.00 0.00 C ATOM 709 CG TYR A 52 3.715 -3.272 7.392 1.00 0.00 C ATOM 710 CD1 TYR A 52 4.659 -4.112 7.969 1.00 0.00 C ATOM 711 CD2 TYR A 52 2.516 -3.073 8.066 1.00 0.00 C ATOM 712 CE1 TYR A 52 4.416 -4.736 9.178 1.00 0.00 C ATOM 713 CE2 TYR A 52 2.265 -3.692 9.276 1.00 0.00 C ATOM 714 CZ TYR A 52 3.218 -4.523 9.827 1.00 0.00 C ATOM 715 OH TYR A 52 2.973 -5.141 11.032 1.00 0.00 O ATOM 0 H TYR A 52 3.307 -1.610 3.913 1.00 0.00 H new ATOM 0 HA TYR A 52 4.517 -4.019 4.553 1.00 0.00 H new ATOM 0 HB2 TYR A 52 5.039 -2.319 6.019 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.413 -1.665 6.023 1.00 0.00 H new ATOM 0 HD1 TYR A 52 5.599 -4.280 7.464 1.00 0.00 H new ATOM 0 HD2 TYR A 52 1.767 -2.423 7.637 1.00 0.00 H new ATOM 0 HE1 TYR A 52 5.160 -5.387 9.612 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.328 -3.526 9.787 1.00 0.00 H new ATOM 0 HH TYR A 52 2.084 -4.885 11.356 1.00 0.00 H new ATOM 725 N GLU A 53 1.297 -3.949 5.263 1.00 0.00 N ATOM 726 CA GLU A 53 0.152 -4.787 5.599 1.00 0.00 C ATOM 727 C GLU A 53 0.212 -6.116 4.851 1.00 0.00 C ATOM 728 O GLU A 53 -0.115 -7.166 5.403 1.00 0.00 O ATOM 729 CB GLU A 53 -1.154 -4.062 5.267 1.00 0.00 C ATOM 730 CG GLU A 53 -2.332 -4.509 6.116 1.00 0.00 C ATOM 731 CD GLU A 53 -2.237 -4.021 7.549 1.00 0.00 C ATOM 732 OE1 GLU A 53 -1.501 -4.647 8.340 1.00 0.00 O ATOM 733 OE2 GLU A 53 -2.897 -3.014 7.878 1.00 0.00 O ATOM 0 H GLU A 53 1.065 -2.975 5.070 1.00 0.00 H new ATOM 0 HA GLU A 53 0.185 -4.990 6.669 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.008 -2.990 5.399 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.392 -4.224 4.216 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.256 -4.140 5.671 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.387 -5.598 6.110 1.00 0.00 H new ATOM 740 N ARG A 54 0.632 -6.060 3.591 1.00 0.00 N ATOM 741 CA ARG A 54 0.735 -7.258 2.767 1.00 0.00 C ATOM 742 C ARG A 54 2.025 -8.016 3.066 1.00 0.00 C ATOM 743 O ARG A 54 2.086 -9.237 2.924 1.00 0.00 O ATOM 744 CB ARG A 54 0.681 -6.888 1.283 1.00 0.00 C ATOM 745 CG ARG A 54 -0.722 -6.913 0.700 1.00 0.00 C ATOM 746 CD ARG A 54 -0.831 -6.023 -0.529 1.00 0.00 C ATOM 747 NE ARG A 54 0.153 -6.377 -1.549 1.00 0.00 N ATOM 748 CZ ARG A 54 0.064 -7.460 -2.312 1.00 0.00 C ATOM 749 NH1 ARG A 54 -0.959 -8.292 -2.171 1.00 0.00 N ATOM 750 NH2 ARG A 54 0.999 -7.714 -3.218 1.00 0.00 N ATOM 0 H ARG A 54 0.906 -5.198 3.119 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.109 -7.905 3.005 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.103 -5.892 1.150 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.311 -7.578 0.722 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.989 -7.936 0.434 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.436 -6.583 1.454 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.834 -6.105 -0.948 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.692 -4.982 -0.237 1.00 0.00 H new ATOM 0 HE ARG A 54 0.953 -5.758 -1.682 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.680 -8.101 -1.475 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.025 -9.123 -2.758 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.788 -7.077 -3.329 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.929 -8.546 -3.803 1.00 0.00 H new ATOM 764 N ARG A 55 3.053 -7.283 3.481 1.00 0.00 N ATOM 765 CA ARG A 55 4.342 -7.886 3.799 1.00 0.00 C ATOM 766 C ARG A 55 4.257 -8.705 5.084 1.00 0.00 C ATOM 767 O ARG A 55 4.354 -9.931 5.056 1.00 0.00 O ATOM 768 CB ARG A 55 5.413 -6.804 3.942 1.00 0.00 C ATOM 769 CG ARG A 55 6.829 -7.317 3.735 1.00 0.00 C ATOM 770 CD ARG A 55 7.343 -8.045 4.968 1.00 0.00 C ATOM 771 NE ARG A 55 8.679 -8.597 4.760 1.00 0.00 N ATOM 772 CZ ARG A 55 8.918 -9.694 4.050 1.00 0.00 C ATOM 773 NH1 ARG A 55 7.917 -10.352 3.483 1.00 0.00 N ATOM 774 NH2 ARG A 55 10.162 -10.134 3.906 1.00 0.00 N ATOM 0 H ARG A 55 3.018 -6.271 3.605 1.00 0.00 H new ATOM 0 HA ARG A 55 4.615 -8.553 2.981 1.00 0.00 H new ATOM 0 HB2 ARG A 55 5.214 -6.011 3.222 1.00 0.00 H new ATOM 0 HB3 ARG A 55 5.338 -6.360 4.934 1.00 0.00 H new ATOM 0 HG2 ARG A 55 6.852 -7.990 2.878 1.00 0.00 H new ATOM 0 HG3 ARG A 55 7.490 -6.482 3.502 1.00 0.00 H new ATOM 0 HD2 ARG A 55 7.362 -7.357 5.813 1.00 0.00 H new ATOM 0 HD3 ARG A 55 6.655 -8.849 5.227 1.00 0.00 H new ATOM 0 HE ARG A 55 9.472 -8.114 5.183 1.00 0.00 H new ATOM 0 HH11 ARG A 55 6.960 -10.016 3.591 1.00 0.00 H new ATOM 0 HH12 ARG A 55 8.104 -11.194 2.938 1.00 0.00 H new ATOM 0 HH21 ARG A 55 10.935 -9.630 4.341 1.00 0.00 H new ATOM 0 HH22 ARG A 55 10.345 -10.976 3.361 1.00 0.00 H new ATOM 788 N GLU A 56 4.075 -8.018 6.207 1.00 0.00 N ATOM 789 CA GLU A 56 3.978 -8.682 7.501 1.00 0.00 C ATOM 790 C GLU A 56 2.535 -8.703 7.996 1.00 0.00 C ATOM 791 O GLU A 56 2.122 -9.621 8.703 1.00 0.00 O ATOM 792 CB GLU A 56 4.871 -7.981 8.528 1.00 0.00 C ATOM 793 CG GLU A 56 6.320 -8.435 8.485 1.00 0.00 C ATOM 794 CD GLU A 56 7.102 -8.008 9.712 1.00 0.00 C ATOM 795 OE1 GLU A 56 6.774 -6.947 10.284 1.00 0.00 O ATOM 796 OE2 GLU A 56 8.041 -8.734 10.100 1.00 0.00 O ATOM 0 H GLU A 56 3.992 -7.002 6.247 1.00 0.00 H new ATOM 0 HA GLU A 56 4.316 -9.711 7.378 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.831 -6.905 8.358 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.472 -8.161 9.526 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.354 -9.521 8.397 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.798 -8.028 7.594 1.00 0.00 H new ATOM 803 N GLY A 57 1.771 -7.681 7.620 1.00 0.00 N ATOM 804 CA GLY A 57 0.383 -7.600 8.034 1.00 0.00 C ATOM 805 C GLY A 57 -0.414 -8.826 7.635 1.00 0.00 C ATOM 806 O GLY A 57 0.155 -9.882 7.355 1.00 0.00 O ATOM 0 H GLY A 57 2.089 -6.908 7.036 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.337 -7.477 9.116 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.073 -6.714 7.592 1.00 0.00 H new ATOM 810 N THR A 58 -1.736 -8.688 7.608 1.00 0.00 N ATOM 811 CA THR A 58 -2.613 -9.794 7.243 1.00 0.00 C ATOM 812 C THR A 58 -3.316 -9.523 5.918 1.00 0.00 C ATOM 813 O THR A 58 -4.274 -10.208 5.563 1.00 0.00 O ATOM 814 CB THR A 58 -3.673 -10.053 8.330 1.00 0.00 C ATOM 815 OG1 THR A 58 -4.402 -8.851 8.600 1.00 0.00 O ATOM 816 CG2 THR A 58 -3.023 -10.556 9.610 1.00 0.00 C ATOM 0 H THR A 58 -2.223 -7.821 7.835 1.00 0.00 H new ATOM 0 HA THR A 58 -1.983 -10.678 7.143 1.00 0.00 H new ATOM 0 HB THR A 58 -4.358 -10.818 7.964 1.00 0.00 H new ATOM 0 HG1 THR A 58 -5.075 -9.025 9.291 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.791 -10.732 10.363 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.493 -11.487 9.408 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.318 -9.810 9.978 1.00 0.00 H new ATOM 824 N GLN A 59 -2.833 -8.520 5.191 1.00 0.00 N ATOM 825 CA GLN A 59 -3.417 -8.160 3.905 1.00 0.00 C ATOM 826 C GLN A 59 -4.893 -7.805 4.057 1.00 0.00 C ATOM 827 O GLN A 59 -5.677 -7.955 3.121 1.00 0.00 O ATOM 828 CB GLN A 59 -3.257 -9.309 2.908 1.00 0.00 C ATOM 829 CG GLN A 59 -1.816 -9.753 2.717 1.00 0.00 C ATOM 830 CD GLN A 59 -1.705 -11.186 2.236 1.00 0.00 C ATOM 831 OE1 GLN A 59 -2.497 -11.638 1.408 1.00 0.00 O ATOM 832 NE2 GLN A 59 -0.719 -11.910 2.753 1.00 0.00 N ATOM 0 H GLN A 59 -2.040 -7.943 5.471 1.00 0.00 H new ATOM 0 HA GLN A 59 -2.888 -7.285 3.527 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -3.848 -10.159 3.248 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -3.665 -9.002 1.945 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -1.329 -9.094 1.998 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -1.280 -9.648 3.660 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -0.086 -11.495 3.436 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -0.595 -12.881 2.467 1.00 0.00 H new ATOM 841 N ASN A 60 -5.263 -7.333 5.243 1.00 0.00 N ATOM 842 CA ASN A 60 -6.645 -6.957 5.518 1.00 0.00 C ATOM 843 C ASN A 60 -6.718 -5.560 6.127 1.00 0.00 C ATOM 844 O ASN A 60 -6.011 -5.252 7.087 1.00 0.00 O ATOM 845 CB ASN A 60 -7.294 -7.972 6.461 1.00 0.00 C ATOM 846 CG ASN A 60 -6.999 -9.404 6.060 1.00 0.00 C ATOM 847 OD1 ASN A 60 -6.554 -9.669 4.943 1.00 0.00 O ATOM 848 ND2 ASN A 60 -7.246 -10.337 6.973 1.00 0.00 N ATOM 0 H ASN A 60 -4.626 -7.202 6.028 1.00 0.00 H new ATOM 0 HA ASN A 60 -7.188 -6.951 4.573 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -6.936 -7.801 7.476 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.373 -7.816 6.472 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -7.067 -11.318 6.761 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.615 -10.072 7.886 1.00 0.00 H new ATOM 855 N CYS A 61 -7.578 -4.718 5.564 1.00 0.00 N ATOM 856 CA CYS A 61 -7.745 -3.355 6.051 1.00 0.00 C ATOM 857 C CYS A 61 -8.171 -3.348 7.516 1.00 0.00 C ATOM 858 O CYS A 61 -9.146 -3.991 7.908 1.00 0.00 O ATOM 859 CB CYS A 61 -8.780 -2.611 5.204 1.00 0.00 C ATOM 860 SG CYS A 61 -9.075 -0.892 5.730 1.00 0.00 S ATOM 0 H CYS A 61 -8.171 -4.957 4.769 1.00 0.00 H new ATOM 0 HA CYS A 61 -6.784 -2.847 5.968 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -8.450 -2.610 4.165 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -9.723 -3.157 5.239 1.00 0.00 H new ATOM 865 N PRO A 62 -7.424 -2.605 8.346 1.00 0.00 N ATOM 866 CA PRO A 62 -7.706 -2.496 9.781 1.00 0.00 C ATOM 867 C PRO A 62 -8.980 -1.708 10.064 1.00 0.00 C ATOM 868 O PRO A 62 -9.311 -1.441 11.219 1.00 0.00 O ATOM 869 CB PRO A 62 -6.484 -1.752 10.326 1.00 0.00 C ATOM 870 CG PRO A 62 -5.963 -0.978 9.166 1.00 0.00 C ATOM 871 CD PRO A 62 -6.248 -1.814 7.948 1.00 0.00 C ATOM 0 HA PRO A 62 -7.869 -3.471 10.240 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -6.757 -1.094 11.151 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -5.735 -2.446 10.707 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.451 -0.006 9.095 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -4.894 -0.791 9.270 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -6.456 -1.195 7.075 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -5.402 -2.452 7.692 1.00 0.00 H new ATOM 879 N GLN A 63 -9.690 -1.339 9.003 1.00 0.00 N ATOM 880 CA GLN A 63 -10.928 -0.581 9.138 1.00 0.00 C ATOM 881 C GLN A 63 -12.117 -1.382 8.619 1.00 0.00 C ATOM 882 O GLN A 63 -13.186 -1.391 9.229 1.00 0.00 O ATOM 883 CB GLN A 63 -10.823 0.746 8.384 1.00 0.00 C ATOM 884 CG GLN A 63 -12.147 1.484 8.264 1.00 0.00 C ATOM 885 CD GLN A 63 -11.974 2.989 8.224 1.00 0.00 C ATOM 886 OE1 GLN A 63 -11.287 3.569 9.065 1.00 0.00 O ATOM 887 NE2 GLN A 63 -12.600 3.631 7.244 1.00 0.00 N ATOM 0 H GLN A 63 -9.429 -1.553 8.040 1.00 0.00 H new ATOM 0 HA GLN A 63 -11.086 -0.378 10.197 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -10.104 1.388 8.893 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -10.430 0.557 7.385 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -12.660 1.157 7.360 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -12.785 1.218 9.107 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -13.159 3.110 6.569 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -12.522 4.645 7.167 1.00 0.00 H new ATOM 896 N CYS A 64 -11.923 -2.054 7.489 1.00 0.00 N ATOM 897 CA CYS A 64 -12.979 -2.858 6.886 1.00 0.00 C ATOM 898 C CYS A 64 -12.533 -4.308 6.723 1.00 0.00 C ATOM 899 O CYS A 64 -13.356 -5.208 6.556 1.00 0.00 O ATOM 900 CB CYS A 64 -13.377 -2.280 5.527 1.00 0.00 C ATOM 901 SG CYS A 64 -12.035 -2.288 4.294 1.00 0.00 S ATOM 0 H CYS A 64 -11.044 -2.058 6.972 1.00 0.00 H new ATOM 0 HA CYS A 64 -13.843 -2.834 7.550 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -14.220 -2.849 5.135 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -13.722 -1.255 5.667 1.00 0.00 H new ATOM 906 N LYS A 65 -11.223 -4.527 6.774 1.00 0.00 N ATOM 907 CA LYS A 65 -10.665 -5.867 6.634 1.00 0.00 C ATOM 908 C LYS A 65 -11.111 -6.508 5.323 1.00 0.00 C ATOM 909 O LYS A 65 -11.575 -7.649 5.304 1.00 0.00 O ATOM 910 CB LYS A 65 -11.090 -6.745 7.814 1.00 0.00 C ATOM 911 CG LYS A 65 -10.820 -6.114 9.169 1.00 0.00 C ATOM 912 CD LYS A 65 -9.400 -6.385 9.637 1.00 0.00 C ATOM 913 CE LYS A 65 -9.216 -6.018 11.101 1.00 0.00 C ATOM 914 NZ LYS A 65 -9.711 -7.090 12.008 1.00 0.00 N ATOM 0 H LYS A 65 -10.528 -3.793 6.911 1.00 0.00 H new ATOM 0 HA LYS A 65 -9.578 -5.782 6.625 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -12.155 -6.963 7.729 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -10.564 -7.698 7.755 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -10.986 -5.038 9.110 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -11.526 -6.506 9.901 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.163 -7.439 9.493 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.700 -5.814 9.027 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.160 -5.834 11.299 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -9.747 -5.090 11.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.568 -6.802 12.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -10.724 -7.249 11.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -9.187 -7.969 11.824 1.00 0.00 H new ATOM 928 N THR A 66 -10.966 -5.768 4.229 1.00 0.00 N ATOM 929 CA THR A 66 -11.353 -6.264 2.914 1.00 0.00 C ATOM 930 C THR A 66 -10.151 -6.822 2.161 1.00 0.00 C ATOM 931 O THR A 66 -9.007 -6.474 2.454 1.00 0.00 O ATOM 932 CB THR A 66 -12.008 -5.157 2.066 1.00 0.00 C ATOM 933 OG1 THR A 66 -13.034 -4.504 2.821 1.00 0.00 O ATOM 934 CG2 THR A 66 -12.600 -5.732 0.789 1.00 0.00 C ATOM 0 H THR A 66 -10.583 -4.823 4.227 1.00 0.00 H new ATOM 0 HA THR A 66 -12.077 -7.062 3.078 1.00 0.00 H new ATOM 0 HB THR A 66 -11.239 -4.433 1.797 1.00 0.00 H new ATOM 0 HG1 THR A 66 -12.794 -3.563 2.953 1.00 0.00 H new ATOM 0 HG21 THR A 66 -13.057 -4.931 0.207 1.00 0.00 H new ATOM 0 HG22 THR A 66 -11.811 -6.203 0.202 1.00 0.00 H new ATOM 0 HG23 THR A 66 -13.357 -6.475 1.041 1.00 0.00 H new ATOM 942 N ARG A 67 -10.417 -7.688 1.189 1.00 0.00 N ATOM 943 CA ARG A 67 -9.356 -8.294 0.393 1.00 0.00 C ATOM 944 C ARG A 67 -8.506 -7.224 -0.284 1.00 0.00 C ATOM 945 O ARG A 67 -9.020 -6.379 -1.018 1.00 0.00 O ATOM 946 CB ARG A 67 -9.951 -9.230 -0.660 1.00 0.00 C ATOM 947 CG ARG A 67 -11.000 -8.569 -1.540 1.00 0.00 C ATOM 948 CD ARG A 67 -11.327 -9.423 -2.755 1.00 0.00 C ATOM 949 NE ARG A 67 -11.915 -10.707 -2.380 1.00 0.00 N ATOM 950 CZ ARG A 67 -12.037 -11.731 -3.216 1.00 0.00 C ATOM 951 NH1 ARG A 67 -11.614 -11.624 -4.468 1.00 0.00 N ATOM 952 NH2 ARG A 67 -12.583 -12.867 -2.801 1.00 0.00 N ATOM 0 H ARG A 67 -11.358 -7.986 0.933 1.00 0.00 H new ATOM 0 HA ARG A 67 -8.718 -8.871 1.063 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -9.148 -9.611 -1.291 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -10.398 -10.089 -0.159 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -11.907 -8.397 -0.960 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -10.640 -7.593 -1.866 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -12.018 -8.883 -3.402 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -10.419 -9.595 -3.332 1.00 0.00 H new ATOM 0 HE ARG A 67 -12.250 -10.823 -1.424 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -11.193 -10.753 -4.791 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -11.709 -12.413 -5.108 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -12.910 -12.954 -1.839 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -12.676 -13.653 -3.444 1.00 0.00 H new ATOM 966 N TYR A 68 -7.202 -7.265 -0.032 1.00 0.00 N ATOM 967 CA TYR A 68 -6.280 -6.297 -0.615 1.00 0.00 C ATOM 968 C TYR A 68 -6.103 -6.545 -2.110 1.00 0.00 C ATOM 969 O TYR A 68 -6.660 -7.492 -2.665 1.00 0.00 O ATOM 970 CB TYR A 68 -4.924 -6.366 0.089 1.00 0.00 C ATOM 971 CG TYR A 68 -4.785 -5.387 1.233 1.00 0.00 C ATOM 972 CD1 TYR A 68 -5.872 -5.071 2.038 1.00 0.00 C ATOM 973 CD2 TYR A 68 -3.567 -4.778 1.508 1.00 0.00 C ATOM 974 CE1 TYR A 68 -5.750 -4.176 3.084 1.00 0.00 C ATOM 975 CE2 TYR A 68 -3.435 -3.884 2.553 1.00 0.00 C ATOM 976 CZ TYR A 68 -4.530 -3.586 3.338 1.00 0.00 C ATOM 977 OH TYR A 68 -4.403 -2.695 4.379 1.00 0.00 O ATOM 0 H TYR A 68 -6.760 -7.958 0.572 1.00 0.00 H new ATOM 0 HA TYR A 68 -6.703 -5.302 -0.478 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -4.771 -7.377 0.467 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -4.136 -6.175 -0.639 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -6.829 -5.533 1.843 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -2.708 -5.007 0.894 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -6.606 -3.940 3.699 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -2.480 -3.421 2.754 1.00 0.00 H new ATOM 0 HH TYR A 68 -3.469 -2.408 4.452 1.00 0.00 H new ATOM 987 N LYS A 69 -5.323 -5.685 -2.757 1.00 0.00 N ATOM 988 CA LYS A 69 -5.069 -5.809 -4.187 1.00 0.00 C ATOM 989 C LYS A 69 -3.628 -5.434 -4.518 1.00 0.00 C ATOM 990 O LYS A 69 -3.080 -4.484 -3.959 1.00 0.00 O ATOM 991 CB LYS A 69 -6.033 -4.920 -4.976 1.00 0.00 C ATOM 992 CG LYS A 69 -5.791 -3.434 -4.777 1.00 0.00 C ATOM 993 CD LYS A 69 -6.331 -2.955 -3.440 1.00 0.00 C ATOM 994 CE LYS A 69 -6.534 -1.448 -3.428 1.00 0.00 C ATOM 995 NZ LYS A 69 -7.846 -1.060 -4.015 1.00 0.00 N ATOM 0 H LYS A 69 -4.856 -4.894 -2.313 1.00 0.00 H new ATOM 0 HA LYS A 69 -5.229 -6.849 -4.470 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.945 -5.155 -6.037 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.055 -5.156 -4.681 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -4.722 -3.228 -4.834 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.267 -2.876 -5.583 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.278 -3.452 -3.230 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.640 -3.236 -2.645 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -6.472 -1.081 -2.403 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -5.730 -0.969 -3.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -7.946 -0.025 -3.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -7.896 -1.387 -5.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -8.614 -1.496 -3.466 1.00 0.00 H new ATOM 1009 N ARG A 70 -3.021 -6.185 -5.432 1.00 0.00 N ATOM 1010 CA ARG A 70 -1.644 -5.930 -5.837 1.00 0.00 C ATOM 1011 C ARG A 70 -1.506 -4.539 -6.448 1.00 0.00 C ATOM 1012 O ARG A 70 -2.155 -4.220 -7.445 1.00 0.00 O ATOM 1013 CB ARG A 70 -1.182 -6.988 -6.841 1.00 0.00 C ATOM 1014 CG ARG A 70 0.311 -7.270 -6.784 1.00 0.00 C ATOM 1015 CD ARG A 70 0.634 -8.663 -7.302 1.00 0.00 C ATOM 1016 NE ARG A 70 0.855 -8.673 -8.745 1.00 0.00 N ATOM 1017 CZ ARG A 70 1.570 -9.601 -9.373 1.00 0.00 C ATOM 1018 NH1 ARG A 70 2.129 -10.588 -8.687 1.00 0.00 N ATOM 1019 NH2 ARG A 70 1.725 -9.542 -10.689 1.00 0.00 N ATOM 0 H ARG A 70 -3.461 -6.974 -5.905 1.00 0.00 H new ATOM 0 HA ARG A 70 -1.014 -5.982 -4.949 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.726 -7.914 -6.656 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -1.443 -6.661 -7.847 1.00 0.00 H new ATOM 0 HG2 ARG A 70 0.846 -6.527 -7.376 1.00 0.00 H new ATOM 0 HG3 ARG A 70 0.662 -7.172 -5.757 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.523 -9.040 -6.797 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -0.184 -9.340 -7.056 1.00 0.00 H new ATOM 0 HE ARG A 70 0.438 -7.927 -9.302 1.00 0.00 H new ATOM 0 HH11 ARG A 70 2.011 -10.636 -7.675 1.00 0.00 H new ATOM 0 HH12 ARG A 70 2.677 -11.299 -9.171 1.00 0.00 H new ATOM 0 HH21 ARG A 70 1.295 -8.784 -11.220 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.274 -10.254 -11.170 1.00 0.00 H new ATOM 1033 N LEU A 71 -0.657 -3.715 -5.844 1.00 0.00 N ATOM 1034 CA LEU A 71 -0.433 -2.357 -6.328 1.00 0.00 C ATOM 1035 C LEU A 71 0.896 -2.255 -7.068 1.00 0.00 C ATOM 1036 O LEU A 71 1.617 -3.243 -7.209 1.00 0.00 O ATOM 1037 CB LEU A 71 -0.458 -1.368 -5.161 1.00 0.00 C ATOM 1038 CG LEU A 71 -1.794 -1.223 -4.431 1.00 0.00 C ATOM 1039 CD1 LEU A 71 -1.698 -0.161 -3.347 1.00 0.00 C ATOM 1040 CD2 LEU A 71 -2.904 -0.885 -5.415 1.00 0.00 C ATOM 0 H LEU A 71 -0.112 -3.963 -5.018 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.235 -2.109 -7.024 1.00 0.00 H new ATOM 0 HB2 LEU A 71 0.297 -1.673 -4.437 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.163 -0.388 -5.536 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.033 -2.175 -3.957 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.658 -0.072 -2.839 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.931 -0.445 -2.627 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.436 0.796 -3.798 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.848 -0.785 -4.879 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.671 0.054 -5.918 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.989 -1.681 -6.155 1.00 0.00 H new ATOM 1052 N ARG A 72 1.216 -1.053 -7.537 1.00 0.00 N ATOM 1053 CA ARG A 72 2.460 -0.822 -8.262 1.00 0.00 C ATOM 1054 C ARG A 72 3.667 -1.083 -7.366 1.00 0.00 C ATOM 1055 O ARG A 72 4.605 -1.776 -7.759 1.00 0.00 O ATOM 1056 CB ARG A 72 2.506 0.612 -8.793 1.00 0.00 C ATOM 1057 CG ARG A 72 2.267 1.666 -7.723 1.00 0.00 C ATOM 1058 CD ARG A 72 1.591 2.900 -8.299 1.00 0.00 C ATOM 1059 NE ARG A 72 0.135 2.790 -8.271 1.00 0.00 N ATOM 1060 CZ ARG A 72 -0.576 2.729 -7.150 1.00 0.00 C ATOM 1061 NH1 ARG A 72 0.032 2.768 -5.973 1.00 0.00 N ATOM 1062 NH2 ARG A 72 -1.898 2.630 -7.207 1.00 0.00 N ATOM 0 H ARG A 72 0.631 -0.224 -7.428 1.00 0.00 H new ATOM 0 HA ARG A 72 2.496 -1.515 -9.103 1.00 0.00 H new ATOM 0 HB2 ARG A 72 3.478 0.789 -9.254 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.756 0.725 -9.576 1.00 0.00 H new ATOM 0 HG2 ARG A 72 1.648 1.247 -6.930 1.00 0.00 H new ATOM 0 HG3 ARG A 72 3.217 1.948 -7.270 1.00 0.00 H new ATOM 0 HD2 ARG A 72 1.899 3.779 -7.733 1.00 0.00 H new ATOM 0 HD3 ARG A 72 1.924 3.049 -9.326 1.00 0.00 H new ATOM 0 HE ARG A 72 -0.363 2.758 -9.160 1.00 0.00 H new ATOM 0 HH11 ARG A 72 1.048 2.845 -5.926 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -0.516 2.721 -5.114 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -2.369 2.601 -8.111 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -2.443 2.583 -6.346 1.00 0.00 H new ATOM 1076 N GLY A 73 3.636 -0.524 -6.161 1.00 0.00 N ATOM 1077 CA GLY A 73 4.734 -0.708 -5.229 1.00 0.00 C ATOM 1078 C GLY A 73 4.649 -2.026 -4.486 1.00 0.00 C ATOM 1079 O GLY A 73 5.542 -2.866 -4.594 1.00 0.00 O ATOM 0 H GLY A 73 2.870 0.053 -5.813 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.678 -0.660 -5.771 1.00 0.00 H new ATOM 0 HA3 GLY A 73 4.737 0.111 -4.510 1.00 0.00 H new ATOM 1083 N SER A 74 3.573 -2.208 -3.728 1.00 0.00 N ATOM 1084 CA SER A 74 3.377 -3.431 -2.959 1.00 0.00 C ATOM 1085 C SER A 74 3.631 -4.663 -3.823 1.00 0.00 C ATOM 1086 O SER A 74 2.820 -5.034 -4.673 1.00 0.00 O ATOM 1087 CB SER A 74 1.958 -3.479 -2.388 1.00 0.00 C ATOM 1088 OG SER A 74 1.031 -3.923 -3.363 1.00 0.00 O ATOM 0 H SER A 74 2.823 -1.524 -3.630 1.00 0.00 H new ATOM 0 HA SER A 74 4.092 -3.431 -2.136 1.00 0.00 H new ATOM 0 HB2 SER A 74 1.932 -4.146 -1.526 1.00 0.00 H new ATOM 0 HB3 SER A 74 1.672 -2.489 -2.034 1.00 0.00 H new ATOM 0 HG SER A 74 1.484 -4.016 -4.227 1.00 0.00 H new ATOM 1094 N PRO A 75 4.784 -5.312 -3.603 1.00 0.00 N ATOM 1095 CA PRO A 75 5.172 -6.511 -4.351 1.00 0.00 C ATOM 1096 C PRO A 75 4.311 -7.719 -3.998 1.00 0.00 C ATOM 1097 O PRO A 75 3.563 -7.695 -3.020 1.00 0.00 O ATOM 1098 CB PRO A 75 6.622 -6.744 -3.921 1.00 0.00 C ATOM 1099 CG PRO A 75 6.725 -6.107 -2.577 1.00 0.00 C ATOM 1100 CD PRO A 75 5.797 -4.925 -2.607 1.00 0.00 C ATOM 0 HA PRO A 75 5.048 -6.378 -5.426 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.855 -7.808 -3.874 1.00 0.00 H new ATOM 0 HB3 PRO A 75 7.321 -6.295 -4.627 1.00 0.00 H new ATOM 0 HG2 PRO A 75 6.441 -6.806 -1.791 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.749 -5.794 -2.371 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.350 -4.740 -1.630 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.318 -4.012 -2.897 1.00 0.00 H new ATOM 1108 N ARG A 76 4.421 -8.774 -4.799 1.00 0.00 N ATOM 1109 CA ARG A 76 3.652 -9.991 -4.570 1.00 0.00 C ATOM 1110 C ARG A 76 3.919 -10.548 -3.175 1.00 0.00 C ATOM 1111 O ARG A 76 5.001 -10.363 -2.617 1.00 0.00 O ATOM 1112 CB ARG A 76 3.996 -11.043 -5.626 1.00 0.00 C ATOM 1113 CG ARG A 76 3.540 -12.446 -5.259 1.00 0.00 C ATOM 1114 CD ARG A 76 4.619 -13.202 -4.500 1.00 0.00 C ATOM 1115 NE ARG A 76 4.089 -14.386 -3.829 1.00 0.00 N ATOM 1116 CZ ARG A 76 4.704 -14.997 -2.822 1.00 0.00 C ATOM 1117 NH1 ARG A 76 5.863 -14.537 -2.372 1.00 0.00 N ATOM 1118 NH2 ARG A 76 4.158 -16.069 -2.263 1.00 0.00 N ATOM 0 H ARG A 76 5.035 -8.810 -5.612 1.00 0.00 H new ATOM 0 HA ARG A 76 2.594 -9.742 -4.646 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.539 -10.758 -6.573 1.00 0.00 H new ATOM 0 HB3 ARG A 76 5.075 -11.050 -5.782 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.638 -12.389 -4.650 1.00 0.00 H new ATOM 0 HG3 ARG A 76 3.279 -12.994 -6.165 1.00 0.00 H new ATOM 0 HD2 ARG A 76 5.407 -13.500 -5.191 1.00 0.00 H new ATOM 0 HD3 ARG A 76 5.074 -12.541 -3.763 1.00 0.00 H new ATOM 0 HE ARG A 76 3.198 -14.765 -4.151 1.00 0.00 H new ATOM 0 HH11 ARG A 76 6.285 -13.712 -2.799 1.00 0.00 H new ATOM 0 HH12 ARG A 76 6.333 -15.008 -1.599 1.00 0.00 H new ATOM 0 HH21 ARG A 76 3.266 -16.425 -2.606 1.00 0.00 H new ATOM 0 HH22 ARG A 76 4.630 -16.538 -1.490 1.00 0.00 H new ATOM 1132 N VAL A 77 2.925 -11.232 -2.616 1.00 0.00 N ATOM 1133 CA VAL A 77 3.051 -11.817 -1.287 1.00 0.00 C ATOM 1134 C VAL A 77 2.322 -13.152 -1.202 1.00 0.00 C ATOM 1135 O VAL A 77 1.642 -13.560 -2.144 1.00 0.00 O ATOM 1136 CB VAL A 77 2.498 -10.873 -0.203 1.00 0.00 C ATOM 1137 CG1 VAL A 77 3.321 -9.595 -0.137 1.00 0.00 C ATOM 1138 CG2 VAL A 77 1.033 -10.560 -0.466 1.00 0.00 C ATOM 0 H VAL A 77 2.023 -11.394 -3.064 1.00 0.00 H new ATOM 0 HA VAL A 77 4.115 -11.976 -1.112 1.00 0.00 H new ATOM 0 HB VAL A 77 2.571 -11.374 0.762 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.915 -8.940 0.634 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.356 -9.840 0.103 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.282 -9.087 -1.101 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.659 -9.892 0.310 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.933 -10.079 -1.439 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.456 -11.485 -0.458 1.00 0.00 H new ATOM 1148 N GLU A 78 2.466 -13.829 -0.067 1.00 0.00 N ATOM 1149 CA GLU A 78 1.821 -15.120 0.139 1.00 0.00 C ATOM 1150 C GLU A 78 0.446 -15.153 -0.523 1.00 0.00 C ATOM 1151 O GLU A 78 -0.411 -14.316 -0.242 1.00 0.00 O ATOM 1152 CB GLU A 78 1.686 -15.414 1.635 1.00 0.00 C ATOM 1153 CG GLU A 78 2.983 -15.863 2.286 1.00 0.00 C ATOM 1154 CD GLU A 78 3.508 -17.162 1.706 1.00 0.00 C ATOM 1155 OE1 GLU A 78 2.740 -18.145 1.659 1.00 0.00 O ATOM 1156 OE2 GLU A 78 4.688 -17.194 1.299 1.00 0.00 O ATOM 0 H GLU A 78 3.023 -13.505 0.723 1.00 0.00 H new ATOM 0 HA GLU A 78 2.445 -15.887 -0.320 1.00 0.00 H new ATOM 0 HB2 GLU A 78 1.326 -14.519 2.142 1.00 0.00 H new ATOM 0 HB3 GLU A 78 0.931 -16.187 1.778 1.00 0.00 H new ATOM 0 HG2 GLU A 78 3.736 -15.084 2.163 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.824 -15.986 3.357 1.00 0.00 H new ATOM 1163 N GLY A 79 0.244 -16.127 -1.405 1.00 0.00 N ATOM 1164 CA GLY A 79 -1.028 -16.251 -2.094 1.00 0.00 C ATOM 1165 C GLY A 79 -0.861 -16.427 -3.591 1.00 0.00 C ATOM 1166 O GLY A 79 -1.425 -17.348 -4.181 1.00 0.00 O ATOM 0 H GLY A 79 0.938 -16.832 -1.655 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -1.575 -17.103 -1.690 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -1.631 -15.364 -1.900 1.00 0.00 H new ATOM 1170 N ASP A 80 -0.086 -15.541 -4.206 1.00 0.00 N ATOM 1171 CA ASP A 80 0.153 -15.602 -5.643 1.00 0.00 C ATOM 1172 C ASP A 80 0.668 -16.978 -6.051 1.00 0.00 C ATOM 1173 O ASP A 80 1.110 -17.760 -5.209 1.00 0.00 O ATOM 1174 CB ASP A 80 1.155 -14.524 -6.062 1.00 0.00 C ATOM 1175 CG ASP A 80 1.013 -14.137 -7.520 1.00 0.00 C ATOM 1176 OD1 ASP A 80 -0.137 -13.978 -7.983 1.00 0.00 O ATOM 1177 OD2 ASP A 80 2.051 -13.991 -8.199 1.00 0.00 O ATOM 0 H ASP A 80 0.388 -14.772 -3.732 1.00 0.00 H new ATOM 0 HA ASP A 80 -0.795 -15.423 -6.151 1.00 0.00 H new ATOM 0 HB2 ASP A 80 1.015 -13.640 -5.439 1.00 0.00 H new ATOM 0 HB3 ASP A 80 2.168 -14.884 -5.882 1.00 0.00 H new ATOM 1182 N GLU A 81 0.607 -17.268 -7.347 1.00 0.00 N ATOM 1183 CA GLU A 81 1.066 -18.552 -7.864 1.00 0.00 C ATOM 1184 C GLU A 81 1.551 -18.416 -9.305 1.00 0.00 C ATOM 1185 O GLU A 81 0.819 -17.945 -10.176 1.00 0.00 O ATOM 1186 CB GLU A 81 -0.058 -19.588 -7.789 1.00 0.00 C ATOM 1187 CG GLU A 81 -0.074 -20.374 -6.489 1.00 0.00 C ATOM 1188 CD GLU A 81 -1.450 -20.915 -6.151 1.00 0.00 C ATOM 1189 OE1 GLU A 81 -1.897 -21.862 -6.832 1.00 0.00 O ATOM 1190 OE2 GLU A 81 -2.078 -20.393 -5.208 1.00 0.00 O ATOM 0 H GLU A 81 0.245 -16.632 -8.057 1.00 0.00 H new ATOM 0 HA GLU A 81 1.901 -18.886 -7.247 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.016 -19.082 -7.910 1.00 0.00 H new ATOM 0 HB3 GLU A 81 0.043 -20.283 -8.623 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.630 -21.203 -6.561 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.270 -19.733 -5.677 1.00 0.00 H new ATOM 1197 N ASP A 82 2.789 -18.830 -9.547 1.00 0.00 N ATOM 1198 CA ASP A 82 3.373 -18.755 -10.881 1.00 0.00 C ATOM 1199 C ASP A 82 2.370 -19.203 -11.939 1.00 0.00 C ATOM 1200 O ASP A 82 1.443 -19.958 -11.648 1.00 0.00 O ATOM 1201 CB ASP A 82 4.634 -19.617 -10.958 1.00 0.00 C ATOM 1202 CG ASP A 82 5.872 -18.876 -10.493 1.00 0.00 C ATOM 1203 OD1 ASP A 82 6.430 -18.092 -11.290 1.00 0.00 O ATOM 1204 OD2 ASP A 82 6.283 -19.078 -9.331 1.00 0.00 O ATOM 0 H ASP A 82 3.408 -19.221 -8.837 1.00 0.00 H new ATOM 0 HA ASP A 82 3.640 -17.716 -11.076 1.00 0.00 H new ATOM 0 HB2 ASP A 82 4.498 -20.510 -10.348 1.00 0.00 H new ATOM 0 HB3 ASP A 82 4.779 -19.952 -11.985 1.00 0.00 H new ATOM 1209 N GLU A 83 2.562 -18.731 -13.167 1.00 0.00 N ATOM 1210 CA GLU A 83 1.672 -19.082 -14.268 1.00 0.00 C ATOM 1211 C GLU A 83 2.297 -20.160 -15.150 1.00 0.00 C ATOM 1212 O GLU A 83 2.213 -20.098 -16.376 1.00 0.00 O ATOM 1213 CB GLU A 83 1.350 -17.844 -15.107 1.00 0.00 C ATOM 1214 CG GLU A 83 2.581 -17.152 -15.668 1.00 0.00 C ATOM 1215 CD GLU A 83 2.249 -15.847 -16.367 1.00 0.00 C ATOM 1216 OE1 GLU A 83 1.678 -15.898 -17.476 1.00 0.00 O ATOM 1217 OE2 GLU A 83 2.560 -14.777 -15.805 1.00 0.00 O ATOM 0 H GLU A 83 3.325 -18.105 -13.424 1.00 0.00 H new ATOM 0 HA GLU A 83 0.748 -19.475 -13.844 1.00 0.00 H new ATOM 0 HB2 GLU A 83 0.699 -18.134 -15.932 1.00 0.00 H new ATOM 0 HB3 GLU A 83 0.793 -17.135 -14.495 1.00 0.00 H new ATOM 0 HG2 GLU A 83 3.285 -16.958 -14.858 1.00 0.00 H new ATOM 0 HG3 GLU A 83 3.080 -17.819 -16.371 1.00 0.00 H new ATOM 1224 N GLU A 84 2.923 -21.146 -14.515 1.00 0.00 N ATOM 1225 CA GLU A 84 3.562 -22.236 -15.242 1.00 0.00 C ATOM 1226 C GLU A 84 2.992 -23.585 -14.813 1.00 0.00 C ATOM 1227 O GLU A 84 3.728 -24.477 -14.391 1.00 0.00 O ATOM 1228 CB GLU A 84 5.075 -22.214 -15.012 1.00 0.00 C ATOM 1229 CG GLU A 84 5.467 -22.188 -13.544 1.00 0.00 C ATOM 1230 CD GLU A 84 5.638 -23.577 -12.961 1.00 0.00 C ATOM 1231 OE1 GLU A 84 6.264 -24.428 -13.628 1.00 0.00 O ATOM 1232 OE2 GLU A 84 5.146 -23.813 -11.838 1.00 0.00 O ATOM 0 H GLU A 84 3.001 -21.212 -13.500 1.00 0.00 H new ATOM 0 HA GLU A 84 3.360 -22.097 -16.304 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.518 -23.092 -15.482 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.497 -21.340 -15.508 1.00 0.00 H new ATOM 0 HG2 GLU A 84 6.398 -21.633 -13.430 1.00 0.00 H new ATOM 0 HG3 GLU A 84 4.705 -21.652 -12.978 1.00 0.00 H new ATOM 1239 N ASP A 85 1.675 -23.726 -14.923 1.00 0.00 N ATOM 1240 CA ASP A 85 1.005 -24.965 -14.547 1.00 0.00 C ATOM 1241 C ASP A 85 -0.192 -25.232 -15.453 1.00 0.00 C ATOM 1242 O ASP A 85 -1.170 -24.484 -15.443 1.00 0.00 O ATOM 1243 CB ASP A 85 0.551 -24.902 -13.087 1.00 0.00 C ATOM 1244 CG ASP A 85 -0.190 -23.619 -12.766 1.00 0.00 C ATOM 1245 OD1 ASP A 85 0.399 -22.533 -12.948 1.00 0.00 O ATOM 1246 OD2 ASP A 85 -1.359 -23.701 -12.333 1.00 0.00 O ATOM 0 H ASP A 85 1.051 -22.997 -15.269 1.00 0.00 H new ATOM 0 HA ASP A 85 1.716 -25.783 -14.664 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.094 -25.754 -12.873 1.00 0.00 H new ATOM 0 HB3 ASP A 85 1.420 -24.989 -12.435 1.00 0.00 H new ATOM 1251 N ILE A 86 -0.108 -26.301 -16.237 1.00 0.00 N ATOM 1252 CA ILE A 86 -1.184 -26.666 -17.150 1.00 0.00 C ATOM 1253 C ILE A 86 -1.743 -28.045 -16.817 1.00 0.00 C ATOM 1254 O ILE A 86 -2.945 -28.203 -16.600 1.00 0.00 O ATOM 1255 CB ILE A 86 -0.707 -26.658 -18.615 1.00 0.00 C ATOM 1256 CG1 ILE A 86 -0.181 -25.272 -18.994 1.00 0.00 C ATOM 1257 CG2 ILE A 86 -1.839 -27.073 -19.542 1.00 0.00 C ATOM 1258 CD1 ILE A 86 0.849 -25.300 -20.102 1.00 0.00 C ATOM 0 H ILE A 86 0.695 -26.930 -16.258 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.968 -25.919 -17.028 1.00 0.00 H new ATOM 0 HB ILE A 86 0.106 -27.376 -18.722 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.018 -24.646 -19.303 1.00 0.00 H new ATOM 0 HG13 ILE A 86 0.258 -24.805 -18.112 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.487 -27.063 -20.574 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -2.172 -28.078 -19.282 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -2.671 -26.376 -19.435 1.00 0.00 H new ATOM 0 HD11 ILE A 86 1.178 -24.284 -20.319 1.00 0.00 H new ATOM 0 HD12 ILE A 86 1.704 -25.899 -19.789 1.00 0.00 H new ATOM 0 HD13 ILE A 86 0.408 -25.738 -20.998 1.00 0.00 H new ATOM 1270 N ASP A 87 -0.864 -29.040 -16.777 1.00 0.00 N ATOM 1271 CA ASP A 87 -1.269 -30.406 -16.468 1.00 0.00 C ATOM 1272 C ASP A 87 -1.333 -30.626 -14.959 1.00 0.00 C ATOM 1273 O ASP A 87 -0.446 -30.196 -14.222 1.00 0.00 O ATOM 1274 CB ASP A 87 -0.299 -31.405 -17.100 1.00 0.00 C ATOM 1275 CG ASP A 87 -0.214 -31.255 -18.606 1.00 0.00 C ATOM 1276 OD1 ASP A 87 -0.323 -30.111 -19.095 1.00 0.00 O ATOM 1277 OD2 ASP A 87 -0.039 -32.281 -19.296 1.00 0.00 O ATOM 0 H ASP A 87 0.134 -28.926 -16.955 1.00 0.00 H new ATOM 0 HA ASP A 87 -2.264 -30.566 -16.884 1.00 0.00 H new ATOM 0 HB2 ASP A 87 0.692 -31.268 -16.668 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -0.616 -32.419 -16.856 1.00 0.00 H new ATOM 1282 N SER A 88 -2.388 -31.296 -14.508 1.00 0.00 N ATOM 1283 CA SER A 88 -2.570 -31.568 -13.087 1.00 0.00 C ATOM 1284 C SER A 88 -1.432 -32.430 -12.548 1.00 0.00 C ATOM 1285 O SER A 88 -0.900 -33.287 -13.253 1.00 0.00 O ATOM 1286 CB SER A 88 -3.910 -32.265 -12.847 1.00 0.00 C ATOM 1287 OG SER A 88 -3.967 -32.829 -11.548 1.00 0.00 O ATOM 0 H SER A 88 -3.130 -31.661 -15.106 1.00 0.00 H new ATOM 0 HA SER A 88 -2.564 -30.616 -12.557 1.00 0.00 H new ATOM 0 HB2 SER A 88 -4.723 -31.550 -12.972 1.00 0.00 H new ATOM 0 HB3 SER A 88 -4.056 -33.047 -13.593 1.00 0.00 H new ATOM 0 HG SER A 88 -4.834 -33.267 -11.419 1.00 0.00 H new ATOM 1293 N GLY A 89 -1.063 -32.195 -11.293 1.00 0.00 N ATOM 1294 CA GLY A 89 0.010 -32.957 -10.680 1.00 0.00 C ATOM 1295 C GLY A 89 0.832 -32.127 -9.714 1.00 0.00 C ATOM 1296 O GLY A 89 1.942 -31.694 -10.024 1.00 0.00 O ATOM 0 H GLY A 89 -1.488 -31.491 -10.689 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -0.412 -33.812 -10.152 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.661 -33.353 -11.459 1.00 0.00 H new ATOM 1300 N PRO A 90 0.283 -31.893 -8.513 1.00 0.00 N ATOM 1301 CA PRO A 90 0.955 -31.106 -7.475 1.00 0.00 C ATOM 1302 C PRO A 90 2.163 -31.831 -6.890 1.00 0.00 C ATOM 1303 O PRO A 90 2.383 -33.011 -7.163 1.00 0.00 O ATOM 1304 CB PRO A 90 -0.128 -30.926 -6.408 1.00 0.00 C ATOM 1305 CG PRO A 90 -1.045 -32.084 -6.601 1.00 0.00 C ATOM 1306 CD PRO A 90 -1.037 -32.378 -8.076 1.00 0.00 C ATOM 0 HA PRO A 90 1.347 -30.167 -7.866 1.00 0.00 H new ATOM 0 HB2 PRO A 90 0.300 -30.923 -5.406 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -0.654 -29.979 -6.533 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -0.708 -32.948 -6.029 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -2.051 -31.847 -6.256 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -1.160 -33.443 -8.274 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -1.846 -31.862 -8.593 1.00 0.00 H new ATOM 1314 N SER A 91 2.943 -31.117 -6.085 1.00 0.00 N ATOM 1315 CA SER A 91 4.131 -31.691 -5.464 1.00 0.00 C ATOM 1316 C SER A 91 4.224 -31.290 -3.995 1.00 0.00 C ATOM 1317 O SER A 91 3.952 -30.146 -3.634 1.00 0.00 O ATOM 1318 CB SER A 91 5.390 -31.240 -6.208 1.00 0.00 C ATOM 1319 OG SER A 91 5.542 -29.833 -6.147 1.00 0.00 O ATOM 0 H SER A 91 2.774 -30.140 -5.847 1.00 0.00 H new ATOM 0 HA SER A 91 4.052 -32.777 -5.522 1.00 0.00 H new ATOM 0 HB2 SER A 91 6.265 -31.723 -5.773 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.335 -31.558 -7.249 1.00 0.00 H new ATOM 0 HG SER A 91 6.354 -29.571 -6.628 1.00 0.00 H new ATOM 1325 N SER A 92 4.611 -32.242 -3.152 1.00 0.00 N ATOM 1326 CA SER A 92 4.737 -31.991 -1.721 1.00 0.00 C ATOM 1327 C SER A 92 6.175 -31.635 -1.357 1.00 0.00 C ATOM 1328 O SER A 92 7.035 -32.508 -1.251 1.00 0.00 O ATOM 1329 CB SER A 92 4.286 -33.217 -0.925 1.00 0.00 C ATOM 1330 OG SER A 92 2.876 -33.353 -0.954 1.00 0.00 O ATOM 0 H SER A 92 4.843 -33.194 -3.435 1.00 0.00 H new ATOM 0 HA SER A 92 4.096 -31.146 -1.467 1.00 0.00 H new ATOM 0 HB2 SER A 92 4.750 -34.113 -1.338 1.00 0.00 H new ATOM 0 HB3 SER A 92 4.625 -33.129 0.107 1.00 0.00 H new ATOM 0 HG SER A 92 2.613 -34.145 -0.440 1.00 0.00 H new ATOM 1336 N GLY A 93 6.428 -30.344 -1.166 1.00 0.00 N ATOM 1337 CA GLY A 93 7.762 -29.893 -0.815 1.00 0.00 C ATOM 1338 C GLY A 93 7.781 -29.071 0.458 1.00 0.00 C ATOM 1339 O GLY A 93 7.769 -27.844 0.379 1.00 0.00 O ATOM 0 H GLY A 93 5.733 -29.602 -1.248 1.00 0.00 H new ATOM 0 HA2 GLY A 93 8.414 -30.758 -0.695 1.00 0.00 H new ATOM 0 HA3 GLY A 93 8.168 -29.299 -1.633 1.00 0.00 H new TER 1343 GLY A 93 HETATM 1344 ZN ZN A 201 0.643 5.989 7.413 1.00 0.00 ZN HETATM 1345 ZN ZN A 401 -10.829 -0.288 4.247 1.00 0.00 ZN