USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 702 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 -127:sc= 1.85 USER MOD Set 1.2: A 35 THR OG1 : rot 180:sc=0.000722 USER MOD Set 2.1: A 13 ASN : amide:sc= 0 K(o=-0.0031,f=-0.73) USER MOD Set 2.2: A 25 TYR OH : rot -150:sc=-0.00315 USER MOD Single : A 1 GLY N :NH3+ -139:sc= 0.0595 (180deg=0) USER MOD Single : A 2 SER OG : rot -51:sc= 0.0083 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0.0596 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 168:sc=-0.00374 (180deg=-0.101) USER MOD Single : A 17 THR OG1 : rot 86:sc= 1.29 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.112 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0881 USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 48 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 75:sc= 0.252 USER MOD Single : A 65 GLN : amide:sc= 0.962 K(o=0.96,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 6:sc= 1.14 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.809 -9.599 -8.071 1.00 0.00 N ATOM 2 CA GLY A 1 -10.325 -10.943 -8.421 1.00 0.00 C ATOM 3 C GLY A 1 -8.824 -10.917 -8.646 1.00 0.00 C ATOM 4 O GLY A 1 -8.119 -10.143 -8.003 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.518 -9.672 -7.313 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.011 -9.017 -7.745 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.241 -9.157 -8.907 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.568 -11.644 -7.623 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.829 -11.296 -9.321 1.00 0.00 H new ATOM 8 N SER A 2 -8.334 -11.739 -9.577 1.00 0.00 N ATOM 9 CA SER A 2 -6.944 -11.816 -10.005 1.00 0.00 C ATOM 10 C SER A 2 -5.986 -12.101 -8.843 1.00 0.00 C ATOM 11 O SER A 2 -4.904 -11.513 -8.752 1.00 0.00 O ATOM 12 CB SER A 2 -6.608 -10.549 -10.797 1.00 0.00 C ATOM 13 OG SER A 2 -5.458 -10.719 -11.603 1.00 0.00 O ATOM 0 H SER A 2 -8.930 -12.400 -10.075 1.00 0.00 H new ATOM 0 HA SER A 2 -6.808 -12.673 -10.665 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.456 -10.279 -11.427 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.448 -9.721 -10.106 1.00 0.00 H new ATOM 0 HG SER A 2 -4.726 -11.076 -11.058 1.00 0.00 H new ATOM 19 N SER A 3 -6.340 -13.041 -7.968 1.00 0.00 N ATOM 20 CA SER A 3 -5.420 -13.557 -6.967 1.00 0.00 C ATOM 21 C SER A 3 -4.855 -14.909 -7.407 1.00 0.00 C ATOM 22 O SER A 3 -5.553 -15.723 -8.024 1.00 0.00 O ATOM 23 CB SER A 3 -6.134 -13.622 -5.618 1.00 0.00 C ATOM 24 OG SER A 3 -7.304 -14.418 -5.618 1.00 0.00 O ATOM 0 H SER A 3 -7.269 -13.462 -7.936 1.00 0.00 H new ATOM 0 HA SER A 3 -4.566 -12.889 -6.858 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.442 -14.013 -4.872 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.397 -12.610 -5.310 1.00 0.00 H new ATOM 0 HG SER A 3 -7.703 -14.413 -4.723 1.00 0.00 H new ATOM 30 N GLY A 4 -3.598 -15.159 -7.053 1.00 0.00 N ATOM 31 CA GLY A 4 -3.000 -16.482 -7.010 1.00 0.00 C ATOM 32 C GLY A 4 -2.784 -16.800 -5.537 1.00 0.00 C ATOM 33 O GLY A 4 -3.674 -16.541 -4.720 1.00 0.00 O ATOM 0 H GLY A 4 -2.950 -14.420 -6.780 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.653 -17.220 -7.476 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.056 -16.501 -7.555 1.00 0.00 H new ATOM 37 N SER A 5 -1.601 -17.311 -5.201 1.00 0.00 N ATOM 38 CA SER A 5 -1.186 -17.635 -3.845 1.00 0.00 C ATOM 39 C SER A 5 -1.457 -16.447 -2.913 1.00 0.00 C ATOM 40 O SER A 5 -0.872 -15.373 -3.083 1.00 0.00 O ATOM 41 CB SER A 5 0.309 -17.991 -3.848 1.00 0.00 C ATOM 42 OG SER A 5 0.722 -18.658 -5.033 1.00 0.00 O ATOM 0 H SER A 5 -0.882 -17.517 -5.894 1.00 0.00 H new ATOM 0 HA SER A 5 -1.756 -18.489 -3.480 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.894 -17.079 -3.729 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.527 -18.624 -2.988 1.00 0.00 H new ATOM 0 HG SER A 5 1.680 -18.857 -4.979 1.00 0.00 H new ATOM 48 N SER A 6 -2.358 -16.612 -1.949 1.00 0.00 N ATOM 49 CA SER A 6 -2.532 -15.655 -0.866 1.00 0.00 C ATOM 50 C SER A 6 -1.283 -15.658 0.045 1.00 0.00 C ATOM 51 O SER A 6 -0.329 -16.404 -0.194 1.00 0.00 O ATOM 52 CB SER A 6 -3.822 -16.026 -0.130 1.00 0.00 C ATOM 53 OG SER A 6 -4.944 -16.066 -1.005 1.00 0.00 O ATOM 0 H SER A 6 -2.987 -17.413 -1.898 1.00 0.00 H new ATOM 0 HA SER A 6 -2.628 -14.634 -1.235 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.700 -16.998 0.347 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.007 -15.302 0.664 1.00 0.00 H new ATOM 0 HG SER A 6 -5.746 -16.308 -0.497 1.00 0.00 H new ATOM 59 N GLY A 7 -1.273 -14.829 1.087 1.00 0.00 N ATOM 60 CA GLY A 7 -0.197 -14.702 2.064 1.00 0.00 C ATOM 61 C GLY A 7 0.101 -13.219 2.237 1.00 0.00 C ATOM 62 O GLY A 7 -0.755 -12.497 2.752 1.00 0.00 O ATOM 0 H GLY A 7 -2.052 -14.199 1.281 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.490 -15.146 3.015 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.692 -15.233 1.724 1.00 0.00 H new ATOM 66 N PHE A 8 1.249 -12.761 1.719 1.00 0.00 N ATOM 67 CA PHE A 8 1.776 -11.390 1.765 1.00 0.00 C ATOM 68 C PHE A 8 0.704 -10.319 1.560 1.00 0.00 C ATOM 69 O PHE A 8 0.707 -9.302 2.244 1.00 0.00 O ATOM 70 CB PHE A 8 2.864 -11.230 0.693 1.00 0.00 C ATOM 71 CG PHE A 8 3.369 -9.805 0.530 1.00 0.00 C ATOM 72 CD1 PHE A 8 4.252 -9.258 1.480 1.00 0.00 C ATOM 73 CD2 PHE A 8 2.930 -9.012 -0.551 1.00 0.00 C ATOM 74 CE1 PHE A 8 4.710 -7.933 1.340 1.00 0.00 C ATOM 75 CE2 PHE A 8 3.374 -7.685 -0.671 1.00 0.00 C ATOM 76 CZ PHE A 8 4.263 -7.147 0.269 1.00 0.00 C ATOM 0 H PHE A 8 1.881 -13.386 1.219 1.00 0.00 H new ATOM 0 HA PHE A 8 2.183 -11.241 2.765 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.705 -11.876 0.945 1.00 0.00 H new ATOM 0 HB3 PHE A 8 2.471 -11.577 -0.263 1.00 0.00 H new ATOM 0 HD1 PHE A 8 4.579 -9.855 2.318 1.00 0.00 H new ATOM 0 HD2 PHE A 8 2.254 -9.425 -1.285 1.00 0.00 H new ATOM 0 HE1 PHE A 8 5.405 -7.523 2.058 1.00 0.00 H new ATOM 0 HE2 PHE A 8 3.028 -7.076 -1.493 1.00 0.00 H new ATOM 0 HZ PHE A 8 4.604 -6.127 0.168 1.00 0.00 H new ATOM 86 N LYS A 9 -0.214 -10.529 0.615 1.00 0.00 N ATOM 87 CA LYS A 9 -1.258 -9.558 0.323 1.00 0.00 C ATOM 88 C LYS A 9 -2.097 -9.242 1.565 1.00 0.00 C ATOM 89 O LYS A 9 -2.369 -8.067 1.794 1.00 0.00 O ATOM 90 CB LYS A 9 -2.141 -10.099 -0.818 1.00 0.00 C ATOM 91 CG LYS A 9 -3.051 -9.022 -1.423 1.00 0.00 C ATOM 92 CD LYS A 9 -2.367 -8.193 -2.495 1.00 0.00 C ATOM 93 CE LYS A 9 -2.373 -8.881 -3.866 1.00 0.00 C ATOM 94 NZ LYS A 9 -3.712 -8.904 -4.480 1.00 0.00 N ATOM 0 H LYS A 9 -0.251 -11.370 0.038 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.793 -8.623 0.011 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.504 -10.512 -1.600 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.754 -10.917 -0.441 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.933 -9.499 -1.850 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.399 -8.361 -0.629 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.865 -7.227 -2.575 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.337 -7.997 -2.196 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -1.681 -8.365 -4.531 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.009 -9.903 -3.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -3.632 -9.190 -5.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.315 -9.583 -3.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.136 -7.956 -4.425 1.00 0.00 H new ATOM 108 N ALA A 10 -2.476 -10.254 2.356 1.00 0.00 N ATOM 109 CA ALA A 10 -3.190 -10.044 3.611 1.00 0.00 C ATOM 110 C ALA A 10 -2.293 -9.270 4.550 1.00 0.00 C ATOM 111 O ALA A 10 -2.708 -8.204 4.974 1.00 0.00 O ATOM 112 CB ALA A 10 -3.607 -11.340 4.306 1.00 0.00 C ATOM 0 H ALA A 10 -2.295 -11.235 2.141 1.00 0.00 H new ATOM 0 HA ALA A 10 -4.104 -9.502 3.368 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.132 -11.104 5.231 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.266 -11.909 3.650 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.721 -11.933 4.533 1.00 0.00 H new ATOM 118 N GLU A 11 -1.079 -9.771 4.816 1.00 0.00 N ATOM 119 CA GLU A 11 -0.126 -9.180 5.758 1.00 0.00 C ATOM 120 C GLU A 11 0.017 -7.677 5.524 1.00 0.00 C ATOM 121 O GLU A 11 0.138 -6.898 6.468 1.00 0.00 O ATOM 122 CB GLU A 11 1.258 -9.778 5.572 1.00 0.00 C ATOM 123 CG GLU A 11 1.420 -11.251 5.908 1.00 0.00 C ATOM 124 CD GLU A 11 1.731 -11.576 7.374 1.00 0.00 C ATOM 125 OE1 GLU A 11 2.271 -10.726 8.128 1.00 0.00 O ATOM 126 OE2 GLU A 11 1.628 -12.779 7.714 1.00 0.00 O ATOM 0 H GLU A 11 -0.727 -10.618 4.370 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.511 -9.383 6.757 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.554 -9.632 4.533 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.958 -9.211 6.185 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.503 -11.770 5.628 1.00 0.00 H new ATOM 0 HG3 GLU A 11 2.219 -11.659 5.289 1.00 0.00 H new ATOM 133 N LEU A 12 0.066 -7.289 4.249 1.00 0.00 N ATOM 134 CA LEU A 12 0.261 -5.929 3.796 1.00 0.00 C ATOM 135 C LEU A 12 -1.021 -5.111 3.901 1.00 0.00 C ATOM 136 O LEU A 12 -0.995 -3.975 4.372 1.00 0.00 O ATOM 137 CB LEU A 12 0.754 -5.975 2.345 1.00 0.00 C ATOM 138 CG LEU A 12 1.383 -4.635 1.930 1.00 0.00 C ATOM 139 CD1 LEU A 12 2.709 -4.371 2.668 1.00 0.00 C ATOM 140 CD2 LEU A 12 1.585 -4.651 0.416 1.00 0.00 C ATOM 0 H LEU A 12 -0.034 -7.949 3.478 1.00 0.00 H new ATOM 0 HA LEU A 12 0.999 -5.440 4.432 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.486 -6.774 2.232 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.079 -6.210 1.682 1.00 0.00 H new ATOM 0 HG LEU A 12 0.714 -3.821 2.207 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.120 -3.414 2.346 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.528 -4.345 3.743 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.418 -5.167 2.438 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.031 -3.708 0.098 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.246 -5.474 0.146 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.622 -4.782 -0.078 1.00 0.00 H new ATOM 152 N ASN A 13 -2.139 -5.679 3.451 1.00 0.00 N ATOM 153 CA ASN A 13 -3.458 -5.073 3.538 1.00 0.00 C ATOM 154 C ASN A 13 -3.800 -4.781 4.985 1.00 0.00 C ATOM 155 O ASN A 13 -4.172 -3.664 5.314 1.00 0.00 O ATOM 156 CB ASN A 13 -4.501 -6.033 2.960 1.00 0.00 C ATOM 157 CG ASN A 13 -5.907 -5.565 3.292 1.00 0.00 C ATOM 158 OD1 ASN A 13 -6.382 -4.575 2.751 1.00 0.00 O ATOM 159 ND2 ASN A 13 -6.597 -6.258 4.180 1.00 0.00 N ATOM 0 H ASN A 13 -2.148 -6.596 3.005 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.458 -4.142 2.972 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.381 -6.100 1.879 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -4.342 -7.034 3.361 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -7.544 -5.971 4.426 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -6.183 -7.080 4.619 1.00 0.00 H new ATOM 166 N GLU A 14 -3.715 -5.786 5.847 1.00 0.00 N ATOM 167 CA GLU A 14 -4.126 -5.696 7.241 1.00 0.00 C ATOM 168 C GLU A 14 -3.278 -4.671 7.999 1.00 0.00 C ATOM 169 O GLU A 14 -3.843 -3.812 8.676 1.00 0.00 O ATOM 170 CB GLU A 14 -4.166 -7.091 7.882 1.00 0.00 C ATOM 171 CG GLU A 14 -2.821 -7.786 8.137 1.00 0.00 C ATOM 172 CD GLU A 14 -3.010 -9.269 8.474 1.00 0.00 C ATOM 173 OE1 GLU A 14 -3.545 -9.563 9.564 1.00 0.00 O ATOM 174 OE2 GLU A 14 -2.627 -10.164 7.686 1.00 0.00 O ATOM 0 H GLU A 14 -3.351 -6.704 5.591 1.00 0.00 H new ATOM 0 HA GLU A 14 -5.146 -5.317 7.298 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.690 -7.010 8.834 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.765 -7.739 7.243 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.188 -7.690 7.255 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.303 -7.289 8.957 1.00 0.00 H new ATOM 181 N PHE A 15 -1.959 -4.697 7.779 1.00 0.00 N ATOM 182 CA PHE A 15 -1.004 -3.669 8.200 1.00 0.00 C ATOM 183 C PHE A 15 -1.521 -2.275 7.818 1.00 0.00 C ATOM 184 O PHE A 15 -1.742 -1.430 8.689 1.00 0.00 O ATOM 185 CB PHE A 15 0.377 -3.955 7.565 1.00 0.00 C ATOM 186 CG PHE A 15 1.344 -2.786 7.515 1.00 0.00 C ATOM 187 CD1 PHE A 15 1.947 -2.310 8.690 1.00 0.00 C ATOM 188 CD2 PHE A 15 1.622 -2.154 6.288 1.00 0.00 C ATOM 189 CE1 PHE A 15 2.807 -1.198 8.637 1.00 0.00 C ATOM 190 CE2 PHE A 15 2.443 -1.015 6.239 1.00 0.00 C ATOM 191 CZ PHE A 15 3.046 -0.545 7.416 1.00 0.00 C ATOM 0 H PHE A 15 -1.511 -5.467 7.282 1.00 0.00 H new ATOM 0 HA PHE A 15 -0.894 -3.694 9.284 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.848 -4.767 8.120 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.219 -4.314 6.548 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.751 -2.797 9.634 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.200 -2.549 5.376 1.00 0.00 H new ATOM 0 HE1 PHE A 15 3.285 -0.845 9.538 1.00 0.00 H new ATOM 0 HE2 PHE A 15 2.609 -0.504 5.302 1.00 0.00 H new ATOM 0 HZ PHE A 15 3.694 0.319 7.383 1.00 0.00 H new ATOM 201 N LEU A 16 -1.708 -2.026 6.518 1.00 0.00 N ATOM 202 CA LEU A 16 -2.150 -0.733 5.998 1.00 0.00 C ATOM 203 C LEU A 16 -3.537 -0.346 6.519 1.00 0.00 C ATOM 204 O LEU A 16 -3.778 0.828 6.791 1.00 0.00 O ATOM 205 CB LEU A 16 -2.179 -0.774 4.465 1.00 0.00 C ATOM 206 CG LEU A 16 -0.805 -0.748 3.776 1.00 0.00 C ATOM 207 CD1 LEU A 16 -0.970 -1.073 2.289 1.00 0.00 C ATOM 208 CD2 LEU A 16 -0.081 0.591 3.960 1.00 0.00 C ATOM 0 H LEU A 16 -1.555 -2.725 5.792 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.440 0.018 6.344 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.705 -1.676 4.153 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.762 0.075 4.107 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.182 -1.506 4.250 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.005 -1.054 1.802 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.411 -2.064 2.180 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.622 -0.333 1.825 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.884 0.555 3.454 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.685 1.393 3.534 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.073 0.778 5.023 1.00 0.00 H new ATOM 220 N THR A 17 -4.444 -1.309 6.699 1.00 0.00 N ATOM 221 CA THR A 17 -5.796 -1.079 7.205 1.00 0.00 C ATOM 222 C THR A 17 -5.744 -0.474 8.616 1.00 0.00 C ATOM 223 O THR A 17 -6.657 0.246 9.019 1.00 0.00 O ATOM 224 CB THR A 17 -6.588 -2.404 7.192 1.00 0.00 C ATOM 225 OG1 THR A 17 -6.634 -2.965 5.894 1.00 0.00 O ATOM 226 CG2 THR A 17 -8.057 -2.239 7.571 1.00 0.00 C ATOM 0 H THR A 17 -4.254 -2.290 6.492 1.00 0.00 H new ATOM 0 HA THR A 17 -6.307 -0.366 6.558 1.00 0.00 H new ATOM 0 HB THR A 17 -6.061 -3.027 7.914 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.832 -3.507 5.743 1.00 0.00 H new ATOM 0 HG21 THR A 17 -8.552 -3.210 7.541 1.00 0.00 H new ATOM 0 HG22 THR A 17 -8.129 -1.826 8.577 1.00 0.00 H new ATOM 0 HG23 THR A 17 -8.541 -1.563 6.866 1.00 0.00 H new ATOM 234 N ARG A 18 -4.701 -0.770 9.399 1.00 0.00 N ATOM 235 CA ARG A 18 -4.461 -0.193 10.699 1.00 0.00 C ATOM 236 C ARG A 18 -3.608 1.072 10.631 1.00 0.00 C ATOM 237 O ARG A 18 -3.781 1.962 11.463 1.00 0.00 O ATOM 238 CB ARG A 18 -3.814 -1.310 11.530 1.00 0.00 C ATOM 239 CG ARG A 18 -4.519 -1.449 12.871 1.00 0.00 C ATOM 240 CD ARG A 18 -4.611 -2.894 13.352 1.00 0.00 C ATOM 241 NE ARG A 18 -5.666 -3.626 12.623 1.00 0.00 N ATOM 242 CZ ARG A 18 -5.673 -4.949 12.434 1.00 0.00 C ATOM 243 NH1 ARG A 18 -4.780 -5.721 13.037 1.00 0.00 N ATOM 244 NH2 ARG A 18 -6.569 -5.512 11.629 1.00 0.00 N ATOM 0 H ARG A 18 -3.985 -1.442 9.124 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.388 0.148 11.160 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.865 -2.253 10.986 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.758 -1.090 11.688 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.988 -0.857 13.617 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.524 -1.034 12.791 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.652 -3.391 13.208 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.822 -2.913 14.421 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.441 -3.086 12.238 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.079 -5.306 13.652 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.793 -6.730 12.886 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -7.259 -4.933 11.150 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.567 -6.523 11.491 1.00 0.00 H new ATOM 258 N GLU A 19 -2.708 1.192 9.653 1.00 0.00 N ATOM 259 CA GLU A 19 -1.851 2.359 9.539 1.00 0.00 C ATOM 260 C GLU A 19 -2.539 3.592 8.957 1.00 0.00 C ATOM 261 O GLU A 19 -2.045 4.700 9.183 1.00 0.00 O ATOM 262 CB GLU A 19 -0.569 2.028 8.760 1.00 0.00 C ATOM 263 CG GLU A 19 0.644 2.019 9.692 1.00 0.00 C ATOM 264 CD GLU A 19 0.891 3.401 10.321 1.00 0.00 C ATOM 265 OE1 GLU A 19 1.545 4.270 9.697 1.00 0.00 O ATOM 266 OE2 GLU A 19 0.382 3.658 11.439 1.00 0.00 O ATOM 0 H GLU A 19 -2.559 0.489 8.929 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.590 2.627 10.563 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.671 1.055 8.279 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.419 2.762 7.968 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.491 1.283 10.481 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.528 1.710 9.135 1.00 0.00 H new ATOM 273 N LEU A 20 -3.632 3.418 8.210 1.00 0.00 N ATOM 274 CA LEU A 20 -4.255 4.469 7.402 1.00 0.00 C ATOM 275 C LEU A 20 -5.783 4.494 7.579 1.00 0.00 C ATOM 276 O LEU A 20 -6.520 4.963 6.701 1.00 0.00 O ATOM 277 CB LEU A 20 -3.839 4.260 5.938 1.00 0.00 C ATOM 278 CG LEU A 20 -2.351 4.513 5.639 1.00 0.00 C ATOM 279 CD1 LEU A 20 -2.087 4.037 4.212 1.00 0.00 C ATOM 280 CD2 LEU A 20 -1.972 5.993 5.776 1.00 0.00 C ATOM 0 H LEU A 20 -4.119 2.524 8.149 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.908 5.447 7.736 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.083 3.237 5.650 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.437 4.919 5.309 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.743 3.970 6.362 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.039 4.200 3.962 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.317 2.974 4.134 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.716 4.596 3.520 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.912 6.119 5.555 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.562 6.586 5.077 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.173 6.327 6.794 1.00 0.00 H new ATOM 292 N ALA A 21 -6.264 3.978 8.714 1.00 0.00 N ATOM 293 CA ALA A 21 -7.679 3.814 9.023 1.00 0.00 C ATOM 294 C ALA A 21 -8.448 5.139 8.938 1.00 0.00 C ATOM 295 O ALA A 21 -9.447 5.240 8.217 1.00 0.00 O ATOM 296 CB ALA A 21 -7.828 3.205 10.420 1.00 0.00 C ATOM 0 H ALA A 21 -5.655 3.654 9.465 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.109 3.145 8.277 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.886 3.082 10.652 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.335 2.233 10.448 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.370 3.866 11.156 1.00 0.00 H new ATOM 302 N GLU A 22 -8.001 6.156 9.678 1.00 0.00 N ATOM 303 CA GLU A 22 -8.655 7.462 9.733 1.00 0.00 C ATOM 304 C GLU A 22 -8.451 8.217 8.424 1.00 0.00 C ATOM 305 O GLU A 22 -9.351 8.926 7.979 1.00 0.00 O ATOM 306 CB GLU A 22 -8.110 8.265 10.918 1.00 0.00 C ATOM 307 CG GLU A 22 -8.730 7.745 12.224 1.00 0.00 C ATOM 308 CD GLU A 22 -7.763 7.813 13.391 1.00 0.00 C ATOM 309 OE1 GLU A 22 -6.698 7.162 13.311 1.00 0.00 O ATOM 310 OE2 GLU A 22 -8.085 8.422 14.435 1.00 0.00 O ATOM 0 H GLU A 22 -7.166 6.094 10.261 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.726 7.318 9.873 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.024 8.179 10.960 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.341 9.323 10.790 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -9.620 8.329 12.458 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -9.054 6.714 12.084 1.00 0.00 H new ATOM 317 N ASP A 23 -7.317 8.001 7.760 1.00 0.00 N ATOM 318 CA ASP A 23 -6.967 8.652 6.507 1.00 0.00 C ATOM 319 C ASP A 23 -7.994 8.339 5.424 1.00 0.00 C ATOM 320 O ASP A 23 -8.434 9.259 4.725 1.00 0.00 O ATOM 321 CB ASP A 23 -5.568 8.220 6.066 1.00 0.00 C ATOM 322 CG ASP A 23 -4.509 8.642 7.075 1.00 0.00 C ATOM 323 OD1 ASP A 23 -3.986 9.770 6.968 1.00 0.00 O ATOM 324 OD2 ASP A 23 -4.249 7.871 8.022 1.00 0.00 O ATOM 0 H ASP A 23 -6.602 7.353 8.089 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.968 9.730 6.665 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.543 7.137 5.942 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.341 8.658 5.094 1.00 0.00 H new ATOM 329 N GLY A 24 -8.411 7.071 5.315 1.00 0.00 N ATOM 330 CA GLY A 24 -9.406 6.660 4.334 1.00 0.00 C ATOM 331 C GLY A 24 -9.051 5.398 3.552 1.00 0.00 C ATOM 332 O GLY A 24 -9.462 5.282 2.393 1.00 0.00 O ATOM 0 H GLY A 24 -8.067 6.311 5.903 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -10.355 6.499 4.845 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.559 7.477 3.628 1.00 0.00 H new ATOM 336 N TYR A 25 -8.269 4.475 4.118 1.00 0.00 N ATOM 337 CA TYR A 25 -7.772 3.312 3.401 1.00 0.00 C ATOM 338 C TYR A 25 -8.907 2.412 2.898 1.00 0.00 C ATOM 339 O TYR A 25 -9.945 2.276 3.560 1.00 0.00 O ATOM 340 CB TYR A 25 -6.842 2.546 4.340 1.00 0.00 C ATOM 341 CG TYR A 25 -6.155 1.371 3.685 1.00 0.00 C ATOM 342 CD1 TYR A 25 -5.103 1.587 2.779 1.00 0.00 C ATOM 343 CD2 TYR A 25 -6.580 0.065 3.971 1.00 0.00 C ATOM 344 CE1 TYR A 25 -4.458 0.488 2.181 1.00 0.00 C ATOM 345 CE2 TYR A 25 -5.933 -1.034 3.389 1.00 0.00 C ATOM 346 CZ TYR A 25 -4.865 -0.827 2.499 1.00 0.00 C ATOM 347 OH TYR A 25 -4.229 -1.896 1.955 1.00 0.00 O ATOM 0 H TYR A 25 -7.965 4.519 5.091 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.233 3.641 2.513 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -6.086 3.229 4.726 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -7.416 2.190 5.195 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -4.790 2.593 2.542 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -7.410 -0.095 4.643 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -3.653 0.650 1.480 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -6.255 -2.038 3.624 1.00 0.00 H new ATOM 0 HH TYR A 25 -4.859 -2.642 1.867 1.00 0.00 H new ATOM 357 N SER A 26 -8.677 1.750 1.762 1.00 0.00 N ATOM 358 CA SER A 26 -9.564 0.735 1.202 1.00 0.00 C ATOM 359 C SER A 26 -8.825 -0.524 0.755 1.00 0.00 C ATOM 360 O SER A 26 -9.427 -1.597 0.803 1.00 0.00 O ATOM 361 CB SER A 26 -10.345 1.312 0.011 1.00 0.00 C ATOM 362 OG SER A 26 -11.656 1.686 0.417 1.00 0.00 O ATOM 0 H SER A 26 -7.846 1.911 1.193 1.00 0.00 H new ATOM 0 HA SER A 26 -10.246 0.447 2.002 1.00 0.00 H new ATOM 0 HB2 SER A 26 -9.820 2.178 -0.392 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.401 0.573 -0.789 1.00 0.00 H new ATOM 0 HG SER A 26 -12.143 2.054 -0.350 1.00 0.00 H new ATOM 368 N GLY A 27 -7.569 -0.442 0.317 1.00 0.00 N ATOM 369 CA GLY A 27 -6.854 -1.627 -0.134 1.00 0.00 C ATOM 370 C GLY A 27 -5.529 -1.249 -0.763 1.00 0.00 C ATOM 371 O GLY A 27 -5.080 -0.107 -0.672 1.00 0.00 O ATOM 0 H GLY A 27 -7.033 0.425 0.266 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.684 -2.297 0.709 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.462 -2.171 -0.856 1.00 0.00 H new ATOM 375 N VAL A 28 -4.876 -2.218 -1.386 1.00 0.00 N ATOM 376 CA VAL A 28 -3.568 -2.044 -1.985 1.00 0.00 C ATOM 377 C VAL A 28 -3.536 -2.916 -3.239 1.00 0.00 C ATOM 378 O VAL A 28 -4.207 -3.952 -3.292 1.00 0.00 O ATOM 379 CB VAL A 28 -2.498 -2.401 -0.930 1.00 0.00 C ATOM 380 CG1 VAL A 28 -2.663 -3.808 -0.322 1.00 0.00 C ATOM 381 CG2 VAL A 28 -1.070 -2.240 -1.446 1.00 0.00 C ATOM 0 H VAL A 28 -5.249 -3.162 -1.490 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.358 -1.019 -2.291 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.669 -1.672 -0.138 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.874 -3.983 0.409 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.634 -3.881 0.167 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.598 -4.556 -1.112 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.366 -2.506 -0.658 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.917 -2.894 -2.305 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.906 -1.205 -1.745 1.00 0.00 H new ATOM 391 N GLU A 29 -2.740 -2.540 -4.233 1.00 0.00 N ATOM 392 CA GLU A 29 -2.423 -3.353 -5.396 1.00 0.00 C ATOM 393 C GLU A 29 -0.911 -3.427 -5.516 1.00 0.00 C ATOM 394 O GLU A 29 -0.237 -2.443 -5.818 1.00 0.00 O ATOM 395 CB GLU A 29 -3.123 -2.845 -6.669 1.00 0.00 C ATOM 396 CG GLU A 29 -4.545 -3.436 -6.696 1.00 0.00 C ATOM 397 CD GLU A 29 -5.394 -3.082 -7.922 1.00 0.00 C ATOM 398 OE1 GLU A 29 -4.874 -3.153 -9.059 1.00 0.00 O ATOM 399 OE2 GLU A 29 -6.631 -2.893 -7.792 1.00 0.00 O ATOM 0 H GLU A 29 -2.283 -1.628 -4.250 1.00 0.00 H new ATOM 0 HA GLU A 29 -2.811 -4.364 -5.268 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -3.163 -1.756 -6.674 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.567 -3.148 -7.557 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.468 -4.521 -6.633 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.074 -3.102 -5.803 1.00 0.00 H new ATOM 406 N VAL A 30 -0.385 -4.610 -5.224 1.00 0.00 N ATOM 407 CA VAL A 30 1.029 -4.961 -5.339 1.00 0.00 C ATOM 408 C VAL A 30 1.276 -5.525 -6.743 1.00 0.00 C ATOM 409 O VAL A 30 0.416 -6.229 -7.288 1.00 0.00 O ATOM 410 CB VAL A 30 1.432 -5.928 -4.190 1.00 0.00 C ATOM 411 CG1 VAL A 30 0.375 -7.006 -3.892 1.00 0.00 C ATOM 412 CG2 VAL A 30 2.783 -6.636 -4.407 1.00 0.00 C ATOM 0 H VAL A 30 -0.955 -5.386 -4.886 1.00 0.00 H new ATOM 0 HA VAL A 30 1.668 -4.086 -5.224 1.00 0.00 H new ATOM 0 HB VAL A 30 1.518 -5.257 -3.335 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.724 -7.644 -3.080 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.560 -6.528 -3.601 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.211 -7.611 -4.784 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.990 -7.292 -3.561 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.742 -7.226 -5.322 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.575 -5.891 -4.491 1.00 0.00 H new ATOM 422 N ARG A 31 2.461 -5.279 -7.305 1.00 0.00 N ATOM 423 CA ARG A 31 2.970 -5.940 -8.505 1.00 0.00 C ATOM 424 C ARG A 31 4.387 -6.391 -8.218 1.00 0.00 C ATOM 425 O ARG A 31 5.106 -5.752 -7.448 1.00 0.00 O ATOM 426 CB ARG A 31 2.965 -4.989 -9.714 1.00 0.00 C ATOM 427 CG ARG A 31 1.699 -5.082 -10.556 1.00 0.00 C ATOM 428 CD ARG A 31 1.592 -3.858 -11.477 1.00 0.00 C ATOM 429 NE ARG A 31 0.534 -4.041 -12.480 1.00 0.00 N ATOM 430 CZ ARG A 31 0.705 -4.506 -13.722 1.00 0.00 C ATOM 431 NH1 ARG A 31 1.924 -4.719 -14.218 1.00 0.00 N ATOM 432 NH2 ARG A 31 -0.368 -4.775 -14.455 1.00 0.00 N ATOM 0 H ARG A 31 3.112 -4.592 -6.924 1.00 0.00 H new ATOM 0 HA ARG A 31 2.330 -6.787 -8.751 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.082 -3.965 -9.361 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.827 -5.210 -10.343 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.714 -5.995 -11.151 1.00 0.00 H new ATOM 0 HG3 ARG A 31 0.824 -5.138 -9.908 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.383 -2.969 -10.882 1.00 0.00 H new ATOM 0 HD3 ARG A 31 2.546 -3.691 -11.977 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.416 -3.791 -12.204 1.00 0.00 H new ATOM 0 HH11 ARG A 31 2.747 -4.527 -13.648 1.00 0.00 H new ATOM 0 HH12 ARG A 31 2.033 -5.074 -15.168 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.300 -4.626 -14.068 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.261 -5.131 -15.405 1.00 0.00 H new ATOM 446 N VAL A 32 4.793 -7.474 -8.865 1.00 0.00 N ATOM 447 CA VAL A 32 6.114 -8.050 -8.730 1.00 0.00 C ATOM 448 C VAL A 32 6.660 -8.191 -10.144 1.00 0.00 C ATOM 449 O VAL A 32 6.017 -8.775 -11.021 1.00 0.00 O ATOM 450 CB VAL A 32 6.046 -9.371 -7.948 1.00 0.00 C ATOM 451 CG1 VAL A 32 7.463 -9.839 -7.616 1.00 0.00 C ATOM 452 CG2 VAL A 32 5.282 -9.213 -6.625 1.00 0.00 C ATOM 0 H VAL A 32 4.195 -7.986 -9.513 1.00 0.00 H new ATOM 0 HA VAL A 32 6.791 -7.423 -8.149 1.00 0.00 H new ATOM 0 HB VAL A 32 5.524 -10.094 -8.575 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.416 -10.776 -7.061 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.022 -9.992 -8.540 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.963 -9.083 -7.010 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.257 -10.170 -6.103 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.783 -8.472 -6.002 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.263 -8.885 -6.830 1.00 0.00 H new ATOM 462 N THR A 33 7.795 -7.554 -10.386 1.00 0.00 N ATOM 463 CA THR A 33 8.353 -7.295 -11.701 1.00 0.00 C ATOM 464 C THR A 33 9.747 -7.941 -11.802 1.00 0.00 C ATOM 465 O THR A 33 10.240 -8.515 -10.821 1.00 0.00 O ATOM 466 CB THR A 33 8.381 -5.770 -11.878 1.00 0.00 C ATOM 467 OG1 THR A 33 9.299 -5.268 -10.944 1.00 0.00 O ATOM 468 CG2 THR A 33 7.022 -5.102 -11.662 1.00 0.00 C ATOM 0 H THR A 33 8.378 -7.187 -9.634 1.00 0.00 H new ATOM 0 HA THR A 33 7.757 -7.732 -12.502 1.00 0.00 H new ATOM 0 HB THR A 33 8.662 -5.548 -12.907 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.872 -4.564 -10.412 1.00 0.00 H new ATOM 0 HG21 THR A 33 7.119 -4.026 -11.803 1.00 0.00 H new ATOM 0 HG22 THR A 33 6.303 -5.499 -12.379 1.00 0.00 H new ATOM 0 HG23 THR A 33 6.674 -5.305 -10.649 1.00 0.00 H new ATOM 476 N PRO A 34 10.423 -7.883 -12.958 1.00 0.00 N ATOM 477 CA PRO A 34 11.846 -8.191 -13.042 1.00 0.00 C ATOM 478 C PRO A 34 12.761 -7.039 -12.581 1.00 0.00 C ATOM 479 O PRO A 34 13.982 -7.187 -12.672 1.00 0.00 O ATOM 480 CB PRO A 34 12.064 -8.577 -14.502 1.00 0.00 C ATOM 481 CG PRO A 34 11.047 -7.723 -15.253 1.00 0.00 C ATOM 482 CD PRO A 34 9.883 -7.575 -14.277 1.00 0.00 C ATOM 0 HA PRO A 34 12.119 -8.995 -12.358 1.00 0.00 H new ATOM 0 HB2 PRO A 34 13.083 -8.364 -14.825 1.00 0.00 H new ATOM 0 HB3 PRO A 34 11.893 -9.641 -14.665 1.00 0.00 H new ATOM 0 HG2 PRO A 34 11.465 -6.753 -15.524 1.00 0.00 H new ATOM 0 HG3 PRO A 34 10.731 -8.203 -16.179 1.00 0.00 H new ATOM 0 HD2 PRO A 34 9.476 -6.564 -14.306 1.00 0.00 H new ATOM 0 HD3 PRO A 34 9.070 -8.254 -14.534 1.00 0.00 H new ATOM 490 N THR A 35 12.227 -5.916 -12.078 1.00 0.00 N ATOM 491 CA THR A 35 13.007 -4.716 -11.770 1.00 0.00 C ATOM 492 C THR A 35 12.885 -4.317 -10.292 1.00 0.00 C ATOM 493 O THR A 35 13.884 -4.333 -9.568 1.00 0.00 O ATOM 494 CB THR A 35 12.523 -3.590 -12.707 1.00 0.00 C ATOM 495 OG1 THR A 35 11.104 -3.526 -12.678 1.00 0.00 O ATOM 496 CG2 THR A 35 12.969 -3.813 -14.155 1.00 0.00 C ATOM 0 H THR A 35 11.233 -5.818 -11.873 1.00 0.00 H new ATOM 0 HA THR A 35 14.067 -4.911 -11.936 1.00 0.00 H new ATOM 0 HB THR A 35 12.964 -2.659 -12.351 1.00 0.00 H new ATOM 0 HG1 THR A 35 10.797 -2.810 -13.272 1.00 0.00 H new ATOM 0 HG21 THR A 35 12.605 -2.996 -14.778 1.00 0.00 H new ATOM 0 HG22 THR A 35 14.058 -3.846 -14.199 1.00 0.00 H new ATOM 0 HG23 THR A 35 12.562 -4.756 -14.520 1.00 0.00 H new ATOM 504 N ARG A 36 11.668 -4.058 -9.803 1.00 0.00 N ATOM 505 CA ARG A 36 11.369 -3.660 -8.430 1.00 0.00 C ATOM 506 C ARG A 36 9.895 -3.892 -8.121 1.00 0.00 C ATOM 507 O ARG A 36 9.035 -3.567 -8.946 1.00 0.00 O ATOM 508 CB ARG A 36 11.723 -2.179 -8.199 1.00 0.00 C ATOM 509 CG ARG A 36 11.211 -1.196 -9.256 1.00 0.00 C ATOM 510 CD ARG A 36 11.258 0.252 -8.739 1.00 0.00 C ATOM 511 NE ARG A 36 11.385 1.199 -9.859 1.00 0.00 N ATOM 512 CZ ARG A 36 10.405 1.538 -10.707 1.00 0.00 C ATOM 513 NH1 ARG A 36 9.161 1.097 -10.539 1.00 0.00 N ATOM 514 NH2 ARG A 36 10.645 2.302 -11.759 1.00 0.00 N ATOM 0 H ARG A 36 10.830 -4.124 -10.381 1.00 0.00 H new ATOM 0 HA ARG A 36 11.975 -4.271 -7.761 1.00 0.00 H new ATOM 0 HB2 ARG A 36 11.327 -1.878 -7.229 1.00 0.00 H new ATOM 0 HB3 ARG A 36 12.808 -2.089 -8.143 1.00 0.00 H new ATOM 0 HG2 ARG A 36 11.815 -1.282 -10.159 1.00 0.00 H new ATOM 0 HG3 ARG A 36 10.188 -1.454 -9.531 1.00 0.00 H new ATOM 0 HD2 ARG A 36 10.353 0.471 -8.172 1.00 0.00 H new ATOM 0 HD3 ARG A 36 12.099 0.373 -8.056 1.00 0.00 H new ATOM 0 HE ARG A 36 12.297 1.634 -10.001 1.00 0.00 H new ATOM 0 HH11 ARG A 36 8.938 0.488 -9.752 1.00 0.00 H new ATOM 0 HH12 ARG A 36 8.431 1.368 -11.197 1.00 0.00 H new ATOM 0 HH21 ARG A 36 11.590 2.644 -11.936 1.00 0.00 H new ATOM 0 HH22 ARG A 36 9.886 2.549 -12.393 1.00 0.00 H new ATOM 528 N THR A 37 9.595 -4.407 -6.936 1.00 0.00 N ATOM 529 CA THR A 37 8.231 -4.570 -6.466 1.00 0.00 C ATOM 530 C THR A 37 7.553 -3.192 -6.457 1.00 0.00 C ATOM 531 O THR A 37 8.180 -2.167 -6.184 1.00 0.00 O ATOM 532 CB THR A 37 8.272 -5.270 -5.096 1.00 0.00 C ATOM 533 OG1 THR A 37 8.754 -6.596 -5.247 1.00 0.00 O ATOM 534 CG2 THR A 37 6.896 -5.370 -4.429 1.00 0.00 C ATOM 0 H THR A 37 10.299 -4.725 -6.270 1.00 0.00 H new ATOM 0 HA THR A 37 7.632 -5.204 -7.120 1.00 0.00 H new ATOM 0 HB THR A 37 8.925 -4.662 -4.470 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.780 -7.036 -4.372 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.994 -5.873 -3.467 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.492 -4.369 -4.275 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.222 -5.939 -5.069 1.00 0.00 H new ATOM 542 N GLU A 38 6.268 -3.149 -6.784 1.00 0.00 N ATOM 543 CA GLU A 38 5.411 -1.977 -6.695 1.00 0.00 C ATOM 544 C GLU A 38 4.374 -2.275 -5.624 1.00 0.00 C ATOM 545 O GLU A 38 3.911 -3.416 -5.518 1.00 0.00 O ATOM 546 CB GLU A 38 4.637 -1.765 -7.999 1.00 0.00 C ATOM 547 CG GLU A 38 5.438 -1.633 -9.299 1.00 0.00 C ATOM 548 CD GLU A 38 4.556 -1.947 -10.508 1.00 0.00 C ATOM 549 OE1 GLU A 38 3.481 -1.328 -10.663 1.00 0.00 O ATOM 550 OE2 GLU A 38 4.923 -2.851 -11.287 1.00 0.00 O ATOM 0 H GLU A 38 5.773 -3.969 -7.135 1.00 0.00 H new ATOM 0 HA GLU A 38 6.020 -1.098 -6.483 1.00 0.00 H new ATOM 0 HB2 GLU A 38 3.946 -2.600 -8.116 1.00 0.00 H new ATOM 0 HB3 GLU A 38 4.033 -0.865 -7.886 1.00 0.00 H new ATOM 0 HG2 GLU A 38 5.837 -0.622 -9.386 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.291 -2.312 -9.278 1.00 0.00 H new ATOM 557 N ILE A 39 3.949 -1.257 -4.886 1.00 0.00 N ATOM 558 CA ILE A 39 2.864 -1.340 -3.930 1.00 0.00 C ATOM 559 C ILE A 39 2.090 -0.035 -4.107 1.00 0.00 C ATOM 560 O ILE A 39 2.659 1.032 -3.897 1.00 0.00 O ATOM 561 CB ILE A 39 3.443 -1.516 -2.505 1.00 0.00 C ATOM 562 CG1 ILE A 39 4.338 -2.775 -2.360 1.00 0.00 C ATOM 563 CG2 ILE A 39 2.279 -1.572 -1.511 1.00 0.00 C ATOM 564 CD1 ILE A 39 5.045 -2.913 -1.007 1.00 0.00 C ATOM 0 H ILE A 39 4.365 -0.327 -4.941 1.00 0.00 H new ATOM 0 HA ILE A 39 2.204 -2.194 -4.085 1.00 0.00 H new ATOM 0 HB ILE A 39 4.090 -0.663 -2.298 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.724 -3.660 -2.524 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.092 -2.760 -3.147 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.669 -1.696 -0.501 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.707 -0.646 -1.568 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.632 -2.414 -1.756 1.00 0.00 H new ATOM 0 HD11 ILE A 39 5.646 -3.822 -1.002 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.691 -2.050 -0.844 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.302 -2.965 -0.212 1.00 0.00 H new ATOM 576 N ILE A 40 0.824 -0.091 -4.515 1.00 0.00 N ATOM 577 CA ILE A 40 0.001 1.089 -4.758 1.00 0.00 C ATOM 578 C ILE A 40 -1.139 1.073 -3.741 1.00 0.00 C ATOM 579 O ILE A 40 -1.953 0.149 -3.752 1.00 0.00 O ATOM 580 CB ILE A 40 -0.476 1.134 -6.229 1.00 0.00 C ATOM 581 CG1 ILE A 40 0.691 1.227 -7.242 1.00 0.00 C ATOM 582 CG2 ILE A 40 -1.357 2.369 -6.421 1.00 0.00 C ATOM 583 CD1 ILE A 40 1.064 -0.100 -7.890 1.00 0.00 C ATOM 0 H ILE A 40 0.336 -0.970 -4.688 1.00 0.00 H new ATOM 0 HA ILE A 40 0.571 2.008 -4.620 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.014 0.205 -6.418 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.422 1.937 -8.024 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.567 1.629 -6.733 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.701 2.414 -7.454 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.217 2.309 -5.755 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.782 3.266 -6.191 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.889 0.054 -8.585 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.366 -0.809 -7.119 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.204 -0.496 -8.430 1.00 0.00 H new ATOM 595 N ILE A 41 -1.153 2.037 -2.820 1.00 0.00 N ATOM 596 CA ILE A 41 -2.138 2.152 -1.753 1.00 0.00 C ATOM 597 C ILE A 41 -3.387 2.844 -2.305 1.00 0.00 C ATOM 598 O ILE A 41 -3.326 4.010 -2.699 1.00 0.00 O ATOM 599 CB ILE A 41 -1.526 2.897 -0.546 1.00 0.00 C ATOM 600 CG1 ILE A 41 -0.477 2.014 0.170 1.00 0.00 C ATOM 601 CG2 ILE A 41 -2.645 3.276 0.438 1.00 0.00 C ATOM 602 CD1 ILE A 41 0.932 2.101 -0.424 1.00 0.00 C ATOM 0 H ILE A 41 -0.456 2.781 -2.799 1.00 0.00 H new ATOM 0 HA ILE A 41 -2.434 1.166 -1.394 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.028 3.798 -0.905 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.434 2.301 1.221 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.809 0.976 0.137 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.217 3.802 1.291 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.366 3.923 -0.062 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.147 2.372 0.784 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.604 1.452 0.137 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.908 1.784 -1.467 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.289 3.129 -0.366 1.00 0.00 H new ATOM 614 N LEU A 42 -4.517 2.134 -2.289 1.00 0.00 N ATOM 615 CA LEU A 42 -5.838 2.608 -2.680 1.00 0.00 C ATOM 616 C LEU A 42 -6.528 3.203 -1.443 1.00 0.00 C ATOM 617 O LEU A 42 -6.916 2.457 -0.535 1.00 0.00 O ATOM 618 CB LEU A 42 -6.676 1.428 -3.229 1.00 0.00 C ATOM 619 CG LEU A 42 -6.049 0.628 -4.390 1.00 0.00 C ATOM 620 CD1 LEU A 42 -6.875 -0.637 -4.662 1.00 0.00 C ATOM 621 CD2 LEU A 42 -5.975 1.467 -5.668 1.00 0.00 C ATOM 0 H LEU A 42 -4.531 1.160 -1.986 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.747 3.366 -3.458 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.877 0.740 -2.408 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.638 1.817 -3.562 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.036 0.354 -4.096 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.425 -1.196 -5.483 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.893 -1.259 -3.767 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.894 -0.356 -4.929 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.529 0.875 -6.467 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.979 1.773 -5.961 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.364 2.352 -5.488 1.00 0.00 H new ATOM 633 N ALA A 43 -6.715 4.525 -1.407 1.00 0.00 N ATOM 634 CA ALA A 43 -7.496 5.199 -0.369 1.00 0.00 C ATOM 635 C ALA A 43 -8.346 6.322 -0.969 1.00 0.00 C ATOM 636 O ALA A 43 -8.124 6.736 -2.105 1.00 0.00 O ATOM 637 CB ALA A 43 -6.537 5.786 0.670 1.00 0.00 C ATOM 0 H ALA A 43 -6.326 5.161 -2.103 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.164 4.474 0.097 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -7.109 6.291 1.449 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.947 4.984 1.115 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -5.871 6.501 0.187 1.00 0.00 H new ATOM 643 N THR A 44 -9.291 6.877 -0.210 1.00 0.00 N ATOM 644 CA THR A 44 -10.049 8.048 -0.655 1.00 0.00 C ATOM 645 C THR A 44 -9.149 9.285 -0.766 1.00 0.00 C ATOM 646 O THR A 44 -9.357 10.120 -1.650 1.00 0.00 O ATOM 647 CB THR A 44 -11.218 8.329 0.313 1.00 0.00 C ATOM 648 OG1 THR A 44 -10.862 8.017 1.647 1.00 0.00 O ATOM 649 CG2 THR A 44 -12.412 7.465 -0.065 1.00 0.00 C ATOM 0 H THR A 44 -9.550 6.535 0.715 1.00 0.00 H new ATOM 0 HA THR A 44 -10.449 7.830 -1.645 1.00 0.00 H new ATOM 0 HB THR A 44 -11.463 9.389 0.240 1.00 0.00 H new ATOM 0 HG1 THR A 44 -11.619 8.205 2.240 1.00 0.00 H new ATOM 0 HG21 THR A 44 -13.237 7.664 0.619 1.00 0.00 H new ATOM 0 HG22 THR A 44 -12.722 7.698 -1.084 1.00 0.00 H new ATOM 0 HG23 THR A 44 -12.134 6.413 -0.002 1.00 0.00 H new ATOM 657 N ARG A 45 -8.169 9.433 0.134 1.00 0.00 N ATOM 658 CA ARG A 45 -7.446 10.687 0.343 1.00 0.00 C ATOM 659 C ARG A 45 -5.968 10.469 0.088 1.00 0.00 C ATOM 660 O ARG A 45 -5.171 10.371 1.022 1.00 0.00 O ATOM 661 CB ARG A 45 -7.739 11.248 1.745 1.00 0.00 C ATOM 662 CG ARG A 45 -9.230 11.564 1.893 1.00 0.00 C ATOM 663 CD ARG A 45 -9.567 12.134 3.269 1.00 0.00 C ATOM 664 NE ARG A 45 -11.026 12.152 3.435 1.00 0.00 N ATOM 665 CZ ARG A 45 -11.781 11.116 3.817 1.00 0.00 C ATOM 666 NH1 ARG A 45 -11.227 9.995 4.275 1.00 0.00 N ATOM 667 NH2 ARG A 45 -13.103 11.207 3.745 1.00 0.00 N ATOM 0 H ARG A 45 -7.855 8.676 0.742 1.00 0.00 H new ATOM 0 HA ARG A 45 -7.789 11.440 -0.367 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.437 10.525 2.503 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -7.151 12.150 1.913 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -9.526 12.277 1.124 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -9.810 10.656 1.726 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.107 11.529 4.050 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -9.164 13.142 3.368 1.00 0.00 H new ATOM 0 HE ARG A 45 -11.506 13.031 3.242 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.212 9.917 4.339 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -11.818 9.215 4.562 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -13.537 12.063 3.400 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -13.685 10.421 4.035 1.00 0.00 H new ATOM 681 N THR A 46 -5.602 10.449 -1.186 1.00 0.00 N ATOM 682 CA THR A 46 -4.234 10.388 -1.673 1.00 0.00 C ATOM 683 C THR A 46 -3.333 11.368 -0.925 1.00 0.00 C ATOM 684 O THR A 46 -2.279 10.978 -0.433 1.00 0.00 O ATOM 685 CB THR A 46 -4.240 10.653 -3.193 1.00 0.00 C ATOM 686 OG1 THR A 46 -5.408 11.359 -3.597 1.00 0.00 O ATOM 687 CG2 THR A 46 -4.244 9.328 -3.937 1.00 0.00 C ATOM 0 H THR A 46 -6.285 10.476 -1.943 1.00 0.00 H new ATOM 0 HA THR A 46 -3.822 9.396 -1.487 1.00 0.00 H new ATOM 0 HB THR A 46 -3.354 11.245 -3.422 1.00 0.00 H new ATOM 0 HG1 THR A 46 -5.379 11.512 -4.565 1.00 0.00 H new ATOM 0 HG21 THR A 46 -4.248 9.514 -5.011 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.354 8.759 -3.671 1.00 0.00 H new ATOM 0 HG23 THR A 46 -5.133 8.760 -3.664 1.00 0.00 H new ATOM 695 N GLN A 47 -3.743 12.632 -0.775 1.00 0.00 N ATOM 696 CA GLN A 47 -2.888 13.616 -0.123 1.00 0.00 C ATOM 697 C GLN A 47 -2.653 13.291 1.361 1.00 0.00 C ATOM 698 O GLN A 47 -1.631 13.701 1.901 1.00 0.00 O ATOM 699 CB GLN A 47 -3.506 15.010 -0.245 1.00 0.00 C ATOM 700 CG GLN A 47 -2.450 16.114 -0.096 1.00 0.00 C ATOM 701 CD GLN A 47 -3.052 17.477 0.224 1.00 0.00 C ATOM 702 OE1 GLN A 47 -4.255 17.693 0.085 1.00 0.00 O ATOM 703 NE2 GLN A 47 -2.237 18.390 0.719 1.00 0.00 N ATOM 0 H GLN A 47 -4.645 12.988 -1.091 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.923 13.587 -0.628 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -3.999 15.106 -1.212 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -4.274 15.136 0.518 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.752 15.837 0.694 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.874 16.185 -1.019 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -1.243 18.184 0.823 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -2.601 19.301 0.997 1.00 0.00 H new ATOM 712 N ASN A 48 -3.570 12.597 2.045 1.00 0.00 N ATOM 713 CA ASN A 48 -3.347 12.216 3.441 1.00 0.00 C ATOM 714 C ASN A 48 -2.267 11.138 3.494 1.00 0.00 C ATOM 715 O ASN A 48 -1.352 11.244 4.310 1.00 0.00 O ATOM 716 CB ASN A 48 -4.640 11.739 4.126 1.00 0.00 C ATOM 717 CG ASN A 48 -5.564 12.880 4.540 1.00 0.00 C ATOM 718 OD1 ASN A 48 -5.513 13.986 3.997 1.00 0.00 O ATOM 719 ND2 ASN A 48 -6.457 12.647 5.485 1.00 0.00 N ATOM 0 H ASN A 48 -4.463 12.291 1.659 1.00 0.00 H new ATOM 0 HA ASN A 48 -3.015 13.096 3.992 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -5.177 11.074 3.449 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.380 11.154 5.008 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -7.105 13.382 5.766 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -6.498 11.732 5.933 1.00 0.00 H new ATOM 726 N VAL A 49 -2.351 10.151 2.593 1.00 0.00 N ATOM 727 CA VAL A 49 -1.373 9.075 2.451 1.00 0.00 C ATOM 728 C VAL A 49 -0.008 9.638 2.017 1.00 0.00 C ATOM 729 O VAL A 49 1.021 9.151 2.474 1.00 0.00 O ATOM 730 CB VAL A 49 -1.930 8.010 1.475 1.00 0.00 C ATOM 731 CG1 VAL A 49 -0.974 6.829 1.278 1.00 0.00 C ATOM 732 CG2 VAL A 49 -3.271 7.444 1.973 1.00 0.00 C ATOM 0 H VAL A 49 -3.121 10.081 1.928 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.205 8.587 3.411 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.059 8.529 0.525 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.417 6.114 0.584 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.029 7.190 0.873 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.796 6.341 2.236 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -3.636 6.699 1.266 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.130 6.980 2.949 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.998 8.252 2.057 1.00 0.00 H new ATOM 742 N LEU A 50 0.044 10.678 1.175 1.00 0.00 N ATOM 743 CA LEU A 50 1.312 11.342 0.869 1.00 0.00 C ATOM 744 C LEU A 50 1.790 12.090 2.111 1.00 0.00 C ATOM 745 O LEU A 50 2.960 12.009 2.479 1.00 0.00 O ATOM 746 CB LEU A 50 1.160 12.335 -0.299 1.00 0.00 C ATOM 747 CG LEU A 50 0.873 11.682 -1.666 1.00 0.00 C ATOM 748 CD1 LEU A 50 0.556 12.772 -2.695 1.00 0.00 C ATOM 749 CD2 LEU A 50 2.049 10.842 -2.165 1.00 0.00 C ATOM 0 H LEU A 50 -0.768 11.072 0.700 1.00 0.00 H new ATOM 0 HA LEU A 50 2.038 10.584 0.575 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.352 13.028 -0.066 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.073 12.925 -0.378 1.00 0.00 H new ATOM 0 HG LEU A 50 0.020 11.015 -1.539 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.353 12.312 -3.662 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.319 13.335 -2.370 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.408 13.446 -2.786 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.799 10.403 -3.131 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.929 11.476 -2.272 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.259 10.048 -1.449 1.00 0.00 H new ATOM 761 N GLY A 51 0.886 12.800 2.779 1.00 0.00 N ATOM 762 CA GLY A 51 1.198 13.736 3.838 1.00 0.00 C ATOM 763 C GLY A 51 1.810 15.025 3.297 1.00 0.00 C ATOM 764 O GLY A 51 1.956 15.219 2.086 1.00 0.00 O ATOM 0 H GLY A 51 -0.114 12.733 2.587 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.290 13.971 4.394 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.891 13.272 4.540 1.00 0.00 H new ATOM 768 N GLU A 52 2.179 15.927 4.209 1.00 0.00 N ATOM 769 CA GLU A 52 2.928 17.146 3.905 1.00 0.00 C ATOM 770 C GLU A 52 4.203 16.757 3.160 1.00 0.00 C ATOM 771 O GLU A 52 4.997 15.986 3.694 1.00 0.00 O ATOM 772 CB GLU A 52 3.305 17.829 5.223 1.00 0.00 C ATOM 773 CG GLU A 52 4.111 19.132 5.072 1.00 0.00 C ATOM 774 CD GLU A 52 4.925 19.470 6.327 1.00 0.00 C ATOM 775 OE1 GLU A 52 4.593 19.019 7.451 1.00 0.00 O ATOM 776 OE2 GLU A 52 5.935 20.201 6.202 1.00 0.00 O ATOM 0 H GLU A 52 1.960 15.827 5.200 1.00 0.00 H new ATOM 0 HA GLU A 52 2.329 17.822 3.294 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.392 18.046 5.777 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.884 17.129 5.825 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.785 19.042 4.220 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.429 19.954 4.853 1.00 0.00 H new ATOM 783 N LYS A 53 4.439 17.299 1.960 1.00 0.00 N ATOM 784 CA LYS A 53 5.694 17.122 1.213 1.00 0.00 C ATOM 785 C LYS A 53 6.144 15.650 1.184 1.00 0.00 C ATOM 786 O LYS A 53 7.330 15.333 1.314 1.00 0.00 O ATOM 787 CB LYS A 53 6.756 18.107 1.750 1.00 0.00 C ATOM 788 CG LYS A 53 6.322 19.581 1.607 1.00 0.00 C ATOM 789 CD LYS A 53 6.493 20.148 0.186 1.00 0.00 C ATOM 790 CE LYS A 53 5.745 21.483 0.109 1.00 0.00 C ATOM 791 NZ LYS A 53 6.337 22.448 -0.844 1.00 0.00 N ATOM 0 H LYS A 53 3.757 17.880 1.473 1.00 0.00 H new ATOM 0 HA LYS A 53 5.535 17.371 0.164 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.950 17.889 2.800 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.693 17.954 1.214 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.276 19.671 1.900 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.901 20.189 2.302 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.549 20.291 -0.042 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.100 19.449 -0.552 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.711 21.293 -0.177 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.723 21.934 1.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.779 23.325 -0.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.315 22.659 -0.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.334 22.038 -1.800 1.00 0.00 H new ATOM 805 N GLY A 54 5.177 14.740 1.027 1.00 0.00 N ATOM 806 CA GLY A 54 5.414 13.312 0.947 1.00 0.00 C ATOM 807 C GLY A 54 5.891 12.685 2.262 1.00 0.00 C ATOM 808 O GLY A 54 6.639 11.714 2.213 1.00 0.00 O ATOM 0 H GLY A 54 4.191 14.990 0.951 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.494 12.818 0.634 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.158 13.120 0.174 1.00 0.00 H new ATOM 812 N ARG A 55 5.511 13.202 3.435 1.00 0.00 N ATOM 813 CA ARG A 55 5.867 12.617 4.732 1.00 0.00 C ATOM 814 C ARG A 55 5.421 11.159 4.868 1.00 0.00 C ATOM 815 O ARG A 55 6.275 10.284 4.986 1.00 0.00 O ATOM 816 CB ARG A 55 5.330 13.496 5.884 1.00 0.00 C ATOM 817 CG ARG A 55 6.440 14.176 6.697 1.00 0.00 C ATOM 818 CD ARG A 55 7.074 13.200 7.696 1.00 0.00 C ATOM 819 NE ARG A 55 7.873 13.919 8.701 1.00 0.00 N ATOM 820 CZ ARG A 55 7.854 13.716 10.023 1.00 0.00 C ATOM 821 NH1 ARG A 55 7.185 12.688 10.531 1.00 0.00 N ATOM 822 NH2 ARG A 55 8.488 14.544 10.843 1.00 0.00 N ATOM 0 H ARG A 55 4.943 14.046 3.512 1.00 0.00 H new ATOM 0 HA ARG A 55 6.955 12.598 4.794 1.00 0.00 H new ATOM 0 HB2 ARG A 55 4.671 14.260 5.472 1.00 0.00 H new ATOM 0 HB3 ARG A 55 4.726 12.880 6.551 1.00 0.00 H new ATOM 0 HG2 ARG A 55 7.206 14.559 6.022 1.00 0.00 H new ATOM 0 HG3 ARG A 55 6.030 15.033 7.232 1.00 0.00 H new ATOM 0 HD2 ARG A 55 6.293 12.623 8.192 1.00 0.00 H new ATOM 0 HD3 ARG A 55 7.706 12.489 7.164 1.00 0.00 H new ATOM 0 HE ARG A 55 8.503 14.643 8.356 1.00 0.00 H new ATOM 0 HH11 ARG A 55 6.684 12.050 9.913 1.00 0.00 H new ATOM 0 HH12 ARG A 55 7.172 12.536 11.540 1.00 0.00 H new ATOM 0 HH21 ARG A 55 8.996 15.344 10.467 1.00 0.00 H new ATOM 0 HH22 ARG A 55 8.467 14.380 11.850 1.00 0.00 H new ATOM 836 N ARG A 56 4.111 10.882 4.913 1.00 0.00 N ATOM 837 CA ARG A 56 3.610 9.547 5.259 1.00 0.00 C ATOM 838 C ARG A 56 4.035 8.524 4.211 1.00 0.00 C ATOM 839 O ARG A 56 4.372 7.408 4.593 1.00 0.00 O ATOM 840 CB ARG A 56 2.076 9.543 5.448 1.00 0.00 C ATOM 841 CG ARG A 56 1.594 9.166 6.857 1.00 0.00 C ATOM 842 CD ARG A 56 2.134 10.092 7.952 1.00 0.00 C ATOM 843 NE ARG A 56 1.266 10.130 9.142 1.00 0.00 N ATOM 844 CZ ARG A 56 1.101 9.184 10.076 1.00 0.00 C ATOM 845 NH1 ARG A 56 1.608 7.965 9.936 1.00 0.00 N ATOM 846 NH2 ARG A 56 0.446 9.495 11.183 1.00 0.00 N ATOM 0 H ARG A 56 3.380 11.565 4.714 1.00 0.00 H new ATOM 0 HA ARG A 56 4.054 9.265 6.214 1.00 0.00 H new ATOM 0 HB2 ARG A 56 1.693 10.533 5.203 1.00 0.00 H new ATOM 0 HB3 ARG A 56 1.639 8.846 4.733 1.00 0.00 H new ATOM 0 HG2 ARG A 56 0.504 9.187 6.878 1.00 0.00 H new ATOM 0 HG3 ARG A 56 1.897 8.142 7.075 1.00 0.00 H new ATOM 0 HD2 ARG A 56 3.130 9.760 8.244 1.00 0.00 H new ATOM 0 HD3 ARG A 56 2.239 11.100 7.551 1.00 0.00 H new ATOM 0 HE ARG A 56 0.723 10.984 9.271 1.00 0.00 H new ATOM 0 HH11 ARG A 56 2.141 7.727 9.099 1.00 0.00 H new ATOM 0 HH12 ARG A 56 1.465 7.266 10.665 1.00 0.00 H new ATOM 0 HH21 ARG A 56 0.079 10.438 11.311 1.00 0.00 H new ATOM 0 HH22 ARG A 56 0.308 8.791 11.909 1.00 0.00 H new ATOM 860 N ILE A 57 4.057 8.887 2.923 1.00 0.00 N ATOM 861 CA ILE A 57 4.508 7.984 1.868 1.00 0.00 C ATOM 862 C ILE A 57 5.944 7.526 2.156 1.00 0.00 C ATOM 863 O ILE A 57 6.183 6.325 2.282 1.00 0.00 O ATOM 864 CB ILE A 57 4.278 8.571 0.460 1.00 0.00 C ATOM 865 CG1 ILE A 57 4.795 7.610 -0.630 1.00 0.00 C ATOM 866 CG2 ILE A 57 4.882 9.967 0.243 1.00 0.00 C ATOM 867 CD1 ILE A 57 4.009 7.776 -1.932 1.00 0.00 C ATOM 0 H ILE A 57 3.765 9.806 2.589 1.00 0.00 H new ATOM 0 HA ILE A 57 3.894 7.084 1.871 1.00 0.00 H new ATOM 0 HB ILE A 57 3.197 8.688 0.380 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.853 7.800 -0.814 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.712 6.581 -0.281 1.00 0.00 H new ATOM 0 HG21 ILE A 57 4.672 10.300 -0.773 1.00 0.00 H new ATOM 0 HG22 ILE A 57 4.443 10.668 0.953 1.00 0.00 H new ATOM 0 HG23 ILE A 57 5.960 9.924 0.395 1.00 0.00 H new ATOM 0 HD11 ILE A 57 4.396 7.086 -2.681 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.956 7.562 -1.751 1.00 0.00 H new ATOM 0 HD13 ILE A 57 4.114 8.799 -2.293 1.00 0.00 H new ATOM 879 N ARG A 58 6.884 8.467 2.300 1.00 0.00 N ATOM 880 CA ARG A 58 8.287 8.214 2.562 1.00 0.00 C ATOM 881 C ARG A 58 8.500 7.376 3.817 1.00 0.00 C ATOM 882 O ARG A 58 9.326 6.462 3.794 1.00 0.00 O ATOM 883 CB ARG A 58 8.948 9.590 2.714 1.00 0.00 C ATOM 884 CG ARG A 58 10.437 9.476 2.474 1.00 0.00 C ATOM 885 CD ARG A 58 11.175 10.745 2.924 1.00 0.00 C ATOM 886 NE ARG A 58 12.628 10.541 2.913 1.00 0.00 N ATOM 887 CZ ARG A 58 13.269 9.637 3.663 1.00 0.00 C ATOM 888 NH1 ARG A 58 12.723 9.162 4.784 1.00 0.00 N ATOM 889 NH2 ARG A 58 14.463 9.211 3.268 1.00 0.00 N ATOM 0 H ARG A 58 6.669 9.462 2.233 1.00 0.00 H new ATOM 0 HA ARG A 58 8.724 7.640 1.745 1.00 0.00 H new ATOM 0 HB2 ARG A 58 8.510 10.294 2.006 1.00 0.00 H new ATOM 0 HB3 ARG A 58 8.761 9.984 3.713 1.00 0.00 H new ATOM 0 HG2 ARG A 58 10.829 8.614 3.014 1.00 0.00 H new ATOM 0 HG3 ARG A 58 10.624 9.301 1.415 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.916 11.574 2.265 1.00 0.00 H new ATOM 0 HD3 ARG A 58 10.851 11.022 3.927 1.00 0.00 H new ATOM 0 HE ARG A 58 13.186 11.127 2.293 1.00 0.00 H new ATOM 0 HH11 ARG A 58 11.803 9.488 5.081 1.00 0.00 H new ATOM 0 HH12 ARG A 58 13.225 8.473 5.344 1.00 0.00 H new ATOM 0 HH21 ARG A 58 14.875 9.573 2.408 1.00 0.00 H new ATOM 0 HH22 ARG A 58 14.969 8.522 3.825 1.00 0.00 H new ATOM 903 N GLU A 59 7.773 7.693 4.890 1.00 0.00 N ATOM 904 CA GLU A 59 7.813 6.937 6.132 1.00 0.00 C ATOM 905 C GLU A 59 7.404 5.503 5.844 1.00 0.00 C ATOM 906 O GLU A 59 8.195 4.593 6.057 1.00 0.00 O ATOM 907 CB GLU A 59 6.903 7.582 7.193 1.00 0.00 C ATOM 908 CG GLU A 59 7.723 8.307 8.262 1.00 0.00 C ATOM 909 CD GLU A 59 8.312 7.338 9.293 1.00 0.00 C ATOM 910 OE1 GLU A 59 9.194 6.516 8.964 1.00 0.00 O ATOM 911 OE2 GLU A 59 7.939 7.452 10.483 1.00 0.00 O ATOM 0 H GLU A 59 7.136 8.489 4.916 1.00 0.00 H new ATOM 0 HA GLU A 59 8.825 6.943 6.536 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.224 8.286 6.713 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.287 6.815 7.662 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.530 8.862 7.784 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.092 9.036 8.770 1.00 0.00 H new ATOM 918 N LEU A 60 6.204 5.274 5.311 1.00 0.00 N ATOM 919 CA LEU A 60 5.695 3.923 5.106 1.00 0.00 C ATOM 920 C LEU A 60 6.561 3.101 4.154 1.00 0.00 C ATOM 921 O LEU A 60 6.574 1.883 4.307 1.00 0.00 O ATOM 922 CB LEU A 60 4.236 3.951 4.662 1.00 0.00 C ATOM 923 CG LEU A 60 3.218 4.192 5.794 1.00 0.00 C ATOM 924 CD1 LEU A 60 1.856 4.504 5.170 1.00 0.00 C ATOM 925 CD2 LEU A 60 3.046 2.962 6.690 1.00 0.00 C ATOM 0 H LEU A 60 5.566 6.012 5.013 1.00 0.00 H new ATOM 0 HA LEU A 60 5.745 3.417 6.070 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.115 4.732 3.912 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.001 3.004 4.177 1.00 0.00 H new ATOM 0 HG LEU A 60 3.591 5.016 6.402 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.125 4.677 5.960 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.936 5.396 4.548 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.535 3.662 4.557 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.319 3.181 7.472 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.693 2.122 6.091 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.003 2.707 7.145 1.00 0.00 H new ATOM 937 N THR A 61 7.325 3.709 3.238 1.00 0.00 N ATOM 938 CA THR A 61 8.354 2.989 2.494 1.00 0.00 C ATOM 939 C THR A 61 9.352 2.365 3.467 1.00 0.00 C ATOM 940 O THR A 61 9.538 1.151 3.436 1.00 0.00 O ATOM 941 CB THR A 61 9.041 3.921 1.490 1.00 0.00 C ATOM 942 OG1 THR A 61 8.047 4.518 0.680 1.00 0.00 O ATOM 943 CG2 THR A 61 10.054 3.190 0.600 1.00 0.00 C ATOM 0 H THR A 61 7.247 4.697 2.998 1.00 0.00 H new ATOM 0 HA THR A 61 7.893 2.184 1.922 1.00 0.00 H new ATOM 0 HB THR A 61 9.596 4.671 2.053 1.00 0.00 H new ATOM 0 HG1 THR A 61 7.574 5.205 1.195 1.00 0.00 H new ATOM 0 HG21 THR A 61 10.509 3.899 -0.091 1.00 0.00 H new ATOM 0 HG22 THR A 61 10.828 2.742 1.223 1.00 0.00 H new ATOM 0 HG23 THR A 61 9.545 2.409 0.035 1.00 0.00 H new ATOM 951 N ALA A 62 9.953 3.165 4.352 1.00 0.00 N ATOM 952 CA ALA A 62 10.875 2.685 5.371 1.00 0.00 C ATOM 953 C ALA A 62 10.204 1.660 6.285 1.00 0.00 C ATOM 954 O ALA A 62 10.790 0.621 6.587 1.00 0.00 O ATOM 955 CB ALA A 62 11.411 3.868 6.186 1.00 0.00 C ATOM 0 H ALA A 62 9.808 4.174 4.377 1.00 0.00 H new ATOM 0 HA ALA A 62 11.709 2.188 4.875 1.00 0.00 H new ATOM 0 HB1 ALA A 62 12.101 3.503 6.947 1.00 0.00 H new ATOM 0 HB2 ALA A 62 11.934 4.559 5.524 1.00 0.00 H new ATOM 0 HB3 ALA A 62 10.580 4.385 6.667 1.00 0.00 H new ATOM 961 N VAL A 63 8.982 1.946 6.742 1.00 0.00 N ATOM 962 CA VAL A 63 8.208 1.052 7.595 1.00 0.00 C ATOM 963 C VAL A 63 8.121 -0.312 6.908 1.00 0.00 C ATOM 964 O VAL A 63 8.605 -1.288 7.467 1.00 0.00 O ATOM 965 CB VAL A 63 6.820 1.633 7.934 1.00 0.00 C ATOM 966 CG1 VAL A 63 6.083 0.739 8.939 1.00 0.00 C ATOM 967 CG2 VAL A 63 6.841 3.077 8.479 1.00 0.00 C ATOM 0 H VAL A 63 8.499 2.818 6.525 1.00 0.00 H new ATOM 0 HA VAL A 63 8.710 0.936 8.555 1.00 0.00 H new ATOM 0 HB VAL A 63 6.296 1.662 6.979 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.107 1.170 9.162 1.00 0.00 H new ATOM 0 HG12 VAL A 63 5.952 -0.256 8.513 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.666 0.666 9.857 1.00 0.00 H new ATOM 0 HG21 VAL A 63 5.822 3.401 8.689 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.429 3.111 9.396 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.287 3.739 7.737 1.00 0.00 H new ATOM 977 N VAL A 64 7.567 -0.394 5.696 1.00 0.00 N ATOM 978 CA VAL A 64 7.407 -1.640 4.953 1.00 0.00 C ATOM 979 C VAL A 64 8.762 -2.284 4.665 1.00 0.00 C ATOM 980 O VAL A 64 8.883 -3.504 4.794 1.00 0.00 O ATOM 981 CB VAL A 64 6.572 -1.369 3.682 1.00 0.00 C ATOM 982 CG1 VAL A 64 6.635 -2.478 2.622 1.00 0.00 C ATOM 983 CG2 VAL A 64 5.111 -1.176 4.111 1.00 0.00 C ATOM 0 H VAL A 64 7.211 0.421 5.197 1.00 0.00 H new ATOM 0 HA VAL A 64 6.861 -2.367 5.554 1.00 0.00 H new ATOM 0 HB VAL A 64 6.997 -0.483 3.209 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.019 -2.200 1.767 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.667 -2.613 2.297 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.264 -3.410 3.048 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.496 -0.982 3.232 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.756 -2.078 4.611 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.041 -0.331 4.796 1.00 0.00 H new ATOM 993 N GLN A 65 9.786 -1.499 4.325 1.00 0.00 N ATOM 994 CA GLN A 65 11.122 -2.016 4.091 1.00 0.00 C ATOM 995 C GLN A 65 11.634 -2.784 5.307 1.00 0.00 C ATOM 996 O GLN A 65 12.290 -3.809 5.136 1.00 0.00 O ATOM 997 CB GLN A 65 12.101 -0.890 3.711 1.00 0.00 C ATOM 998 CG GLN A 65 12.424 -0.798 2.211 1.00 0.00 C ATOM 999 CD GLN A 65 13.861 -0.314 2.034 1.00 0.00 C ATOM 1000 OE1 GLN A 65 14.141 0.879 1.942 1.00 0.00 O ATOM 1001 NE2 GLN A 65 14.825 -1.217 2.081 1.00 0.00 N ATOM 0 H GLN A 65 9.706 -0.489 4.206 1.00 0.00 H new ATOM 0 HA GLN A 65 11.062 -2.707 3.250 1.00 0.00 H new ATOM 0 HB2 GLN A 65 11.683 0.062 4.038 1.00 0.00 H new ATOM 0 HB3 GLN A 65 13.031 -1.035 4.261 1.00 0.00 H new ATOM 0 HG2 GLN A 65 12.295 -1.772 1.739 1.00 0.00 H new ATOM 0 HG3 GLN A 65 11.734 -0.112 1.720 1.00 0.00 H new ATOM 0 HE21 GLN A 65 14.593 -2.207 2.157 1.00 0.00 H new ATOM 0 HE22 GLN A 65 15.801 -0.924 2.041 1.00 0.00 H new ATOM 1010 N LYS A 66 11.336 -2.330 6.523 1.00 0.00 N ATOM 1011 CA LYS A 66 11.716 -3.024 7.750 1.00 0.00 C ATOM 1012 C LYS A 66 10.732 -4.162 8.034 1.00 0.00 C ATOM 1013 O LYS A 66 11.143 -5.322 8.105 1.00 0.00 O ATOM 1014 CB LYS A 66 11.811 -1.984 8.875 1.00 0.00 C ATOM 1015 CG LYS A 66 13.030 -1.060 8.661 1.00 0.00 C ATOM 1016 CD LYS A 66 12.825 0.323 9.286 1.00 0.00 C ATOM 1017 CE LYS A 66 14.150 0.987 9.674 1.00 0.00 C ATOM 1018 NZ LYS A 66 14.016 2.453 9.814 1.00 0.00 N ATOM 0 H LYS A 66 10.821 -1.465 6.685 1.00 0.00 H new ATOM 0 HA LYS A 66 12.693 -3.500 7.659 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.898 -1.389 8.905 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.895 -2.488 9.838 1.00 0.00 H new ATOM 0 HG2 LYS A 66 13.916 -1.524 9.094 1.00 0.00 H new ATOM 0 HG3 LYS A 66 13.217 -0.950 7.593 1.00 0.00 H new ATOM 0 HD2 LYS A 66 12.293 0.963 8.582 1.00 0.00 H new ATOM 0 HD3 LYS A 66 12.195 0.230 10.171 1.00 0.00 H new ATOM 0 HE2 LYS A 66 14.506 0.564 10.614 1.00 0.00 H new ATOM 0 HE3 LYS A 66 14.903 0.762 8.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 14.935 2.862 10.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 13.702 2.861 8.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 13.317 2.669 10.553 1.00 0.00 H new ATOM 1032 N ARG A 67 9.432 -3.860 8.109 1.00 0.00 N ATOM 1033 CA ARG A 67 8.343 -4.781 8.457 1.00 0.00 C ATOM 1034 C ARG A 67 8.372 -6.045 7.603 1.00 0.00 C ATOM 1035 O ARG A 67 8.122 -7.126 8.125 1.00 0.00 O ATOM 1036 CB ARG A 67 6.989 -4.048 8.326 1.00 0.00 C ATOM 1037 CG ARG A 67 5.910 -4.361 9.371 1.00 0.00 C ATOM 1038 CD ARG A 67 5.114 -5.646 9.140 1.00 0.00 C ATOM 1039 NE ARG A 67 5.754 -6.826 9.741 1.00 0.00 N ATOM 1040 CZ ARG A 67 5.134 -7.774 10.453 1.00 0.00 C ATOM 1041 NH1 ARG A 67 3.883 -7.609 10.878 1.00 0.00 N ATOM 1042 NH2 ARG A 67 5.779 -8.897 10.737 1.00 0.00 N ATOM 0 H ARG A 67 9.092 -2.917 7.919 1.00 0.00 H new ATOM 0 HA ARG A 67 8.478 -5.101 9.490 1.00 0.00 H new ATOM 0 HB2 ARG A 67 7.183 -2.976 8.354 1.00 0.00 H new ATOM 0 HB3 ARG A 67 6.579 -4.273 7.341 1.00 0.00 H new ATOM 0 HG2 ARG A 67 6.385 -4.421 10.350 1.00 0.00 H new ATOM 0 HG3 ARG A 67 5.212 -3.525 9.407 1.00 0.00 H new ATOM 0 HD2 ARG A 67 4.114 -5.529 9.557 1.00 0.00 H new ATOM 0 HD3 ARG A 67 4.996 -5.808 8.069 1.00 0.00 H new ATOM 0 HE ARG A 67 6.759 -6.931 9.603 1.00 0.00 H new ATOM 0 HH11 ARG A 67 3.380 -6.748 10.662 1.00 0.00 H new ATOM 0 HH12 ARG A 67 3.427 -8.343 11.420 1.00 0.00 H new ATOM 0 HH21 ARG A 67 6.737 -9.031 10.413 1.00 0.00 H new ATOM 0 HH22 ARG A 67 5.317 -9.627 11.279 1.00 0.00 H new ATOM 1056 N PHE A 68 8.678 -5.912 6.311 1.00 0.00 N ATOM 1057 CA PHE A 68 8.671 -6.994 5.331 1.00 0.00 C ATOM 1058 C PHE A 68 10.086 -7.284 4.799 1.00 0.00 C ATOM 1059 O PHE A 68 10.266 -8.221 4.020 1.00 0.00 O ATOM 1060 CB PHE A 68 7.660 -6.654 4.219 1.00 0.00 C ATOM 1061 CG PHE A 68 6.222 -6.524 4.675 1.00 0.00 C ATOM 1062 CD1 PHE A 68 5.733 -5.292 5.144 1.00 0.00 C ATOM 1063 CD2 PHE A 68 5.353 -7.626 4.582 1.00 0.00 C ATOM 1064 CE1 PHE A 68 4.392 -5.168 5.542 1.00 0.00 C ATOM 1065 CE2 PHE A 68 3.995 -7.485 4.905 1.00 0.00 C ATOM 1066 CZ PHE A 68 3.527 -6.268 5.428 1.00 0.00 C ATOM 0 H PHE A 68 8.947 -5.015 5.906 1.00 0.00 H new ATOM 0 HA PHE A 68 8.350 -7.921 5.806 1.00 0.00 H new ATOM 0 HB2 PHE A 68 7.962 -5.718 3.749 1.00 0.00 H new ATOM 0 HB3 PHE A 68 7.713 -7.427 3.452 1.00 0.00 H new ATOM 0 HD1 PHE A 68 6.391 -4.438 5.198 1.00 0.00 H new ATOM 0 HD2 PHE A 68 5.733 -8.585 4.261 1.00 0.00 H new ATOM 0 HE1 PHE A 68 4.027 -4.230 5.934 1.00 0.00 H new ATOM 0 HE2 PHE A 68 3.313 -8.308 4.752 1.00 0.00 H new ATOM 0 HZ PHE A 68 2.498 -6.178 5.744 1.00 0.00 H new ATOM 1076 N GLY A 69 11.115 -6.547 5.236 1.00 0.00 N ATOM 1077 CA GLY A 69 12.514 -6.832 4.915 1.00 0.00 C ATOM 1078 C GLY A 69 12.918 -6.511 3.473 1.00 0.00 C ATOM 1079 O GLY A 69 13.925 -7.044 3.006 1.00 0.00 O ATOM 0 H GLY A 69 10.995 -5.726 5.830 1.00 0.00 H new ATOM 0 HA2 GLY A 69 13.151 -6.263 5.592 1.00 0.00 H new ATOM 0 HA3 GLY A 69 12.709 -7.887 5.106 1.00 0.00 H new ATOM 1083 N PHE A 70 12.144 -5.691 2.754 1.00 0.00 N ATOM 1084 CA PHE A 70 12.375 -5.407 1.340 1.00 0.00 C ATOM 1085 C PHE A 70 13.756 -4.790 1.079 1.00 0.00 C ATOM 1086 O PHE A 70 14.223 -3.986 1.890 1.00 0.00 O ATOM 1087 CB PHE A 70 11.308 -4.448 0.803 1.00 0.00 C ATOM 1088 CG PHE A 70 10.018 -5.106 0.377 1.00 0.00 C ATOM 1089 CD1 PHE A 70 9.933 -5.783 -0.853 1.00 0.00 C ATOM 1090 CD2 PHE A 70 8.889 -5.017 1.207 1.00 0.00 C ATOM 1091 CE1 PHE A 70 8.731 -6.390 -1.240 1.00 0.00 C ATOM 1092 CE2 PHE A 70 7.680 -5.618 0.817 1.00 0.00 C ATOM 1093 CZ PHE A 70 7.604 -6.309 -0.406 1.00 0.00 C ATOM 0 H PHE A 70 11.336 -5.205 3.142 1.00 0.00 H new ATOM 0 HA PHE A 70 12.323 -6.366 0.825 1.00 0.00 H new ATOM 0 HB2 PHE A 70 11.085 -3.709 1.572 1.00 0.00 H new ATOM 0 HB3 PHE A 70 11.722 -3.908 -0.048 1.00 0.00 H new ATOM 0 HD1 PHE A 70 10.796 -5.835 -1.500 1.00 0.00 H new ATOM 0 HD2 PHE A 70 8.950 -4.486 2.146 1.00 0.00 H new ATOM 0 HE1 PHE A 70 8.671 -6.920 -2.179 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.811 -5.550 1.455 1.00 0.00 H new ATOM 0 HZ PHE A 70 6.678 -6.778 -0.704 1.00 0.00 H new ATOM 1103 N PRO A 71 14.364 -5.075 -0.088 1.00 0.00 N ATOM 1104 CA PRO A 71 15.548 -4.382 -0.573 1.00 0.00 C ATOM 1105 C PRO A 71 15.277 -2.905 -0.836 1.00 0.00 C ATOM 1106 O PRO A 71 14.243 -2.531 -1.389 1.00 0.00 O ATOM 1107 CB PRO A 71 15.935 -5.082 -1.877 1.00 0.00 C ATOM 1108 CG PRO A 71 14.615 -5.669 -2.363 1.00 0.00 C ATOM 1109 CD PRO A 71 13.921 -6.051 -1.073 1.00 0.00 C ATOM 0 HA PRO A 71 16.343 -4.420 0.172 1.00 0.00 H new ATOM 0 HB2 PRO A 71 16.355 -4.383 -2.600 1.00 0.00 H new ATOM 0 HB3 PRO A 71 16.683 -5.857 -1.711 1.00 0.00 H new ATOM 0 HG2 PRO A 71 14.036 -4.943 -2.934 1.00 0.00 H new ATOM 0 HG3 PRO A 71 14.770 -6.533 -3.010 1.00 0.00 H new ATOM 0 HD2 PRO A 71 12.837 -6.027 -1.189 1.00 0.00 H new ATOM 0 HD3 PRO A 71 14.187 -7.063 -0.769 1.00 0.00 H new ATOM 1117 N GLU A 72 16.259 -2.079 -0.499 1.00 0.00 N ATOM 1118 CA GLU A 72 16.324 -0.686 -0.899 1.00 0.00 C ATOM 1119 C GLU A 72 16.512 -0.637 -2.419 1.00 0.00 C ATOM 1120 O GLU A 72 17.250 -1.454 -2.971 1.00 0.00 O ATOM 1121 CB GLU A 72 17.522 -0.090 -0.160 1.00 0.00 C ATOM 1122 CG GLU A 72 17.744 1.394 -0.430 1.00 0.00 C ATOM 1123 CD GLU A 72 19.009 1.905 0.261 1.00 0.00 C ATOM 1124 OE1 GLU A 72 20.051 1.210 0.240 1.00 0.00 O ATOM 1125 OE2 GLU A 72 18.992 3.047 0.775 1.00 0.00 O ATOM 0 H GLU A 72 17.051 -2.370 0.075 1.00 0.00 H new ATOM 0 HA GLU A 72 15.423 -0.123 -0.656 1.00 0.00 H new ATOM 0 HB2 GLU A 72 17.384 -0.237 0.911 1.00 0.00 H new ATOM 0 HB3 GLU A 72 18.420 -0.638 -0.444 1.00 0.00 H new ATOM 0 HG2 GLU A 72 17.821 1.562 -1.504 1.00 0.00 H new ATOM 0 HG3 GLU A 72 16.882 1.962 -0.080 1.00 0.00 H new ATOM 1132 N GLY A 73 15.871 0.307 -3.107 1.00 0.00 N ATOM 1133 CA GLY A 73 15.969 0.452 -4.557 1.00 0.00 C ATOM 1134 C GLY A 73 15.129 -0.552 -5.348 1.00 0.00 C ATOM 1135 O GLY A 73 14.873 -0.322 -6.529 1.00 0.00 O ATOM 0 H GLY A 73 15.263 0.999 -2.668 1.00 0.00 H new ATOM 0 HA2 GLY A 73 15.661 1.461 -4.831 1.00 0.00 H new ATOM 0 HA3 GLY A 73 17.013 0.346 -4.851 1.00 0.00 H new ATOM 1139 N SER A 74 14.678 -1.642 -4.720 1.00 0.00 N ATOM 1140 CA SER A 74 13.964 -2.730 -5.378 1.00 0.00 C ATOM 1141 C SER A 74 12.566 -2.973 -4.786 1.00 0.00 C ATOM 1142 O SER A 74 11.885 -3.921 -5.184 1.00 0.00 O ATOM 1143 CB SER A 74 14.854 -3.972 -5.421 1.00 0.00 C ATOM 1144 OG SER A 74 15.941 -3.796 -6.313 1.00 0.00 O ATOM 0 H SER A 74 14.804 -1.792 -3.719 1.00 0.00 H new ATOM 0 HA SER A 74 13.757 -2.444 -6.409 1.00 0.00 H new ATOM 0 HB2 SER A 74 15.232 -4.186 -4.421 1.00 0.00 H new ATOM 0 HB3 SER A 74 14.264 -4.835 -5.730 1.00 0.00 H new ATOM 0 HG SER A 74 16.494 -4.605 -6.319 1.00 0.00 H new ATOM 1150 N VAL A 75 12.090 -2.075 -3.920 1.00 0.00 N ATOM 1151 CA VAL A 75 10.678 -1.905 -3.606 1.00 0.00 C ATOM 1152 C VAL A 75 10.326 -0.456 -3.933 1.00 0.00 C ATOM 1153 O VAL A 75 11.202 0.415 -3.893 1.00 0.00 O ATOM 1154 CB VAL A 75 10.405 -2.301 -2.137 1.00 0.00 C ATOM 1155 CG1 VAL A 75 10.979 -1.316 -1.104 1.00 0.00 C ATOM 1156 CG2 VAL A 75 8.910 -2.480 -1.842 1.00 0.00 C ATOM 0 H VAL A 75 12.694 -1.433 -3.408 1.00 0.00 H new ATOM 0 HA VAL A 75 10.039 -2.560 -4.198 1.00 0.00 H new ATOM 0 HB VAL A 75 10.924 -3.254 -2.031 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.745 -1.666 -0.099 1.00 0.00 H new ATOM 0 HG12 VAL A 75 12.061 -1.253 -1.223 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.539 -0.331 -1.257 1.00 0.00 H new ATOM 0 HG21 VAL A 75 8.776 -2.758 -0.796 1.00 0.00 H new ATOM 0 HG22 VAL A 75 8.386 -1.545 -2.039 1.00 0.00 H new ATOM 0 HG23 VAL A 75 8.505 -3.265 -2.481 1.00 0.00 H new ATOM 1166 N GLU A 76 9.056 -0.188 -4.213 1.00 0.00 N ATOM 1167 CA GLU A 76 8.478 1.140 -4.236 1.00 0.00 C ATOM 1168 C GLU A 76 7.104 1.075 -3.604 1.00 0.00 C ATOM 1169 O GLU A 76 6.443 0.032 -3.622 1.00 0.00 O ATOM 1170 CB GLU A 76 8.324 1.651 -5.670 1.00 0.00 C ATOM 1171 CG GLU A 76 9.564 2.385 -6.154 1.00 0.00 C ATOM 1172 CD GLU A 76 9.870 3.712 -5.468 1.00 0.00 C ATOM 1173 OE1 GLU A 76 9.128 4.172 -4.573 1.00 0.00 O ATOM 1174 OE2 GLU A 76 10.895 4.308 -5.874 1.00 0.00 O ATOM 0 H GLU A 76 8.381 -0.919 -4.437 1.00 0.00 H new ATOM 0 HA GLU A 76 9.137 1.816 -3.691 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.119 0.811 -6.333 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.464 2.318 -5.726 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.424 1.727 -6.027 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.459 2.568 -7.223 1.00 0.00 H new ATOM 1181 N LEU A 77 6.672 2.231 -3.116 1.00 0.00 N ATOM 1182 CA LEU A 77 5.335 2.453 -2.575 1.00 0.00 C ATOM 1183 C LEU A 77 4.800 3.728 -3.210 1.00 0.00 C ATOM 1184 O LEU A 77 5.515 4.731 -3.250 1.00 0.00 O ATOM 1185 CB LEU A 77 5.319 2.608 -1.044 1.00 0.00 C ATOM 1186 CG LEU A 77 5.377 1.316 -0.206 1.00 0.00 C ATOM 1187 CD1 LEU A 77 6.752 0.642 -0.206 1.00 0.00 C ATOM 1188 CD2 LEU A 77 4.994 1.645 1.242 1.00 0.00 C ATOM 0 H LEU A 77 7.259 3.065 -3.084 1.00 0.00 H new ATOM 0 HA LEU A 77 4.721 1.582 -2.804 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.164 3.234 -0.759 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.414 3.149 -0.768 1.00 0.00 H new ATOM 0 HG LEU A 77 4.679 0.615 -0.664 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.715 -0.260 0.404 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.028 0.378 -1.227 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.493 1.328 0.205 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.032 0.737 1.844 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.693 2.377 1.646 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.984 2.055 1.267 1.00 0.00 H new ATOM 1200 N TYR A 78 3.550 3.692 -3.655 1.00 0.00 N ATOM 1201 CA TYR A 78 2.862 4.745 -4.375 1.00 0.00 C ATOM 1202 C TYR A 78 1.485 4.948 -3.735 1.00 0.00 C ATOM 1203 O TYR A 78 0.955 4.033 -3.094 1.00 0.00 O ATOM 1204 CB TYR A 78 2.709 4.312 -5.840 1.00 0.00 C ATOM 1205 CG TYR A 78 3.970 3.811 -6.531 1.00 0.00 C ATOM 1206 CD1 TYR A 78 4.855 4.743 -7.095 1.00 0.00 C ATOM 1207 CD2 TYR A 78 4.250 2.431 -6.650 1.00 0.00 C ATOM 1208 CE1 TYR A 78 5.984 4.316 -7.816 1.00 0.00 C ATOM 1209 CE2 TYR A 78 5.361 1.994 -7.389 1.00 0.00 C ATOM 1210 CZ TYR A 78 6.226 2.936 -7.987 1.00 0.00 C ATOM 1211 OH TYR A 78 7.308 2.507 -8.689 1.00 0.00 O ATOM 0 H TYR A 78 2.957 2.874 -3.512 1.00 0.00 H new ATOM 0 HA TYR A 78 3.421 5.680 -4.333 1.00 0.00 H new ATOM 0 HB2 TYR A 78 1.957 3.524 -5.887 1.00 0.00 H new ATOM 0 HB3 TYR A 78 2.321 5.158 -6.408 1.00 0.00 H new ATOM 0 HD1 TYR A 78 4.667 5.800 -6.974 1.00 0.00 H new ATOM 0 HD2 TYR A 78 3.606 1.709 -6.170 1.00 0.00 H new ATOM 0 HE1 TYR A 78 6.664 5.042 -8.238 1.00 0.00 H new ATOM 0 HE2 TYR A 78 5.554 0.937 -7.500 1.00 0.00 H new ATOM 0 HH TYR A 78 7.320 1.527 -8.706 1.00 0.00 H new ATOM 1221 N ALA A 79 0.860 6.101 -3.982 1.00 0.00 N ATOM 1222 CA ALA A 79 -0.486 6.403 -3.519 1.00 0.00 C ATOM 1223 C ALA A 79 -1.407 6.544 -4.729 1.00 0.00 C ATOM 1224 O ALA A 79 -1.028 7.137 -5.741 1.00 0.00 O ATOM 1225 CB ALA A 79 -0.466 7.678 -2.665 1.00 0.00 C ATOM 0 H ALA A 79 1.285 6.858 -4.517 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.864 5.595 -2.893 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.476 7.901 -2.320 1.00 0.00 H new ATOM 0 HB2 ALA A 79 0.187 7.530 -1.805 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -0.095 8.510 -3.263 1.00 0.00 H new ATOM 1231 N GLU A 80 -2.640 6.062 -4.602 1.00 0.00 N ATOM 1232 CA GLU A 80 -3.681 6.091 -5.616 1.00 0.00 C ATOM 1233 C GLU A 80 -5.017 6.368 -4.939 1.00 0.00 C ATOM 1234 O GLU A 80 -5.219 6.080 -3.753 1.00 0.00 O ATOM 1235 CB GLU A 80 -3.692 4.721 -6.293 1.00 0.00 C ATOM 1236 CG GLU A 80 -4.719 4.457 -7.393 1.00 0.00 C ATOM 1237 CD GLU A 80 -4.467 5.296 -8.636 1.00 0.00 C ATOM 1238 OE1 GLU A 80 -4.690 6.529 -8.554 1.00 0.00 O ATOM 1239 OE2 GLU A 80 -4.093 4.721 -9.688 1.00 0.00 O ATOM 0 H GLU A 80 -2.953 5.617 -3.740 1.00 0.00 H new ATOM 0 HA GLU A 80 -3.503 6.870 -6.357 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -2.702 4.554 -6.717 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -3.838 3.969 -5.517 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -4.697 3.401 -7.661 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -5.718 4.669 -7.012 1.00 0.00 H new ATOM 1246 N LYS A 81 -5.941 6.947 -5.694 1.00 0.00 N ATOM 1247 CA LYS A 81 -7.206 7.408 -5.181 1.00 0.00 C ATOM 1248 C LYS A 81 -8.266 6.382 -5.553 1.00 0.00 C ATOM 1249 O LYS A 81 -8.199 5.775 -6.622 1.00 0.00 O ATOM 1250 CB LYS A 81 -7.470 8.820 -5.713 1.00 0.00 C ATOM 1251 CG LYS A 81 -8.867 9.248 -5.269 1.00 0.00 C ATOM 1252 CD LYS A 81 -9.146 10.748 -5.328 1.00 0.00 C ATOM 1253 CE LYS A 81 -9.460 11.194 -6.758 1.00 0.00 C ATOM 1254 NZ LYS A 81 -9.743 12.642 -6.857 1.00 0.00 N ATOM 0 H LYS A 81 -5.822 7.108 -6.694 1.00 0.00 H new ATOM 0 HA LYS A 81 -7.216 7.491 -4.094 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -6.721 9.515 -5.332 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.396 8.836 -6.800 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -9.600 8.735 -5.892 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -9.024 8.907 -4.246 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -9.985 10.991 -4.676 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -8.282 11.297 -4.954 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -8.617 10.948 -7.404 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -10.319 10.634 -7.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -9.949 12.889 -7.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -10.564 12.877 -6.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -8.915 13.181 -6.531 1.00 0.00 H new ATOM 1268 N VAL A 82 -9.265 6.213 -4.695 1.00 0.00 N ATOM 1269 CA VAL A 82 -10.399 5.347 -4.965 1.00 0.00 C ATOM 1270 C VAL A 82 -11.504 6.191 -5.591 1.00 0.00 C ATOM 1271 O VAL A 82 -11.674 7.380 -5.300 1.00 0.00 O ATOM 1272 CB VAL A 82 -10.876 4.665 -3.669 1.00 0.00 C ATOM 1273 CG1 VAL A 82 -12.062 3.722 -3.908 1.00 0.00 C ATOM 1274 CG2 VAL A 82 -9.776 3.829 -3.005 1.00 0.00 C ATOM 0 H VAL A 82 -9.308 6.677 -3.788 1.00 0.00 H new ATOM 0 HA VAL A 82 -10.115 4.554 -5.657 1.00 0.00 H new ATOM 0 HB VAL A 82 -11.168 5.490 -3.020 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -12.360 3.266 -2.964 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -12.899 4.287 -4.319 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -11.771 2.942 -4.611 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -10.166 3.371 -2.096 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -9.447 3.049 -3.692 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -8.932 4.472 -2.754 1.00 0.00 H new ATOM 1284 N ALA A 83 -12.304 5.528 -6.411 1.00 0.00 N ATOM 1285 CA ALA A 83 -13.611 5.939 -6.874 1.00 0.00 C ATOM 1286 C ALA A 83 -14.375 4.664 -7.258 1.00 0.00 C ATOM 1287 O ALA A 83 -13.786 3.582 -7.386 1.00 0.00 O ATOM 1288 CB ALA A 83 -13.450 6.899 -8.059 1.00 0.00 C ATOM 0 H ALA A 83 -12.033 4.623 -6.796 1.00 0.00 H new ATOM 0 HA ALA A 83 -14.170 6.473 -6.106 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -14.433 7.211 -8.411 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -12.883 7.775 -7.743 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -12.919 6.395 -8.866 1.00 0.00 H new ATOM 1294 N THR A 84 -15.683 4.788 -7.456 1.00 0.00 N ATOM 1295 CA THR A 84 -16.537 3.714 -7.939 1.00 0.00 C ATOM 1296 C THR A 84 -16.212 3.459 -9.412 1.00 0.00 C ATOM 1297 O THR A 84 -16.362 4.379 -10.215 1.00 0.00 O ATOM 1298 CB THR A 84 -18.001 4.151 -7.760 1.00 0.00 C ATOM 1299 OG1 THR A 84 -18.207 4.688 -6.466 1.00 0.00 O ATOM 1300 CG2 THR A 84 -19.010 3.032 -7.962 1.00 0.00 C ATOM 0 H THR A 84 -16.188 5.657 -7.281 1.00 0.00 H new ATOM 0 HA THR A 84 -16.373 2.790 -7.384 1.00 0.00 H new ATOM 0 HB THR A 84 -18.167 4.899 -8.535 1.00 0.00 H new ATOM 0 HG1 THR A 84 -19.143 4.962 -6.371 1.00 0.00 H new ATOM 0 HG21 THR A 84 -20.018 3.421 -7.819 1.00 0.00 H new ATOM 0 HG22 THR A 84 -18.915 2.634 -8.972 1.00 0.00 H new ATOM 0 HG23 THR A 84 -18.822 2.237 -7.240 1.00 0.00 H new ATOM 1308 N ARG A 85 -15.765 2.252 -9.783 1.00 0.00 N ATOM 1309 CA ARG A 85 -15.554 1.884 -11.187 1.00 0.00 C ATOM 1310 C ARG A 85 -16.335 0.607 -11.487 1.00 0.00 C ATOM 1311 O ARG A 85 -17.564 0.680 -11.555 1.00 0.00 O ATOM 1312 CB ARG A 85 -14.050 1.854 -11.537 1.00 0.00 C ATOM 1313 CG ARG A 85 -13.854 1.786 -13.058 1.00 0.00 C ATOM 1314 CD ARG A 85 -12.383 1.770 -13.481 1.00 0.00 C ATOM 1315 NE ARG A 85 -12.303 1.422 -14.908 1.00 0.00 N ATOM 1316 CZ ARG A 85 -11.757 2.113 -15.912 1.00 0.00 C ATOM 1317 NH1 ARG A 85 -11.077 3.230 -15.708 1.00 0.00 N ATOM 1318 NH2 ARG A 85 -11.944 1.664 -17.144 1.00 0.00 N ATOM 0 H ARG A 85 -15.541 1.508 -9.122 1.00 0.00 H new ATOM 0 HA ARG A 85 -15.954 2.644 -11.858 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -13.560 2.744 -11.141 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -13.578 0.993 -11.065 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -14.344 0.891 -13.440 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -14.348 2.641 -13.519 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -11.929 2.745 -13.304 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -11.827 1.047 -12.885 1.00 0.00 H new ATOM 0 HE ARG A 85 -12.723 0.529 -15.167 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -10.957 3.588 -14.761 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -10.673 3.733 -16.498 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -12.490 0.817 -17.301 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -11.542 2.166 -17.936 1.00 0.00 H new ATOM 1332 N GLY A 86 -15.692 -0.555 -11.580 1.00 0.00 N ATOM 1333 CA GLY A 86 -16.304 -1.799 -12.040 1.00 0.00 C ATOM 1334 C GLY A 86 -15.873 -2.110 -13.475 1.00 0.00 C ATOM 1335 O GLY A 86 -15.024 -1.411 -14.033 1.00 0.00 O ATOM 0 H GLY A 86 -14.708 -0.660 -11.332 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -16.015 -2.618 -11.382 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -17.390 -1.717 -11.990 1.00 0.00 H new ATOM 1339 N SER A 87 -16.415 -3.190 -14.048 1.00 0.00 N ATOM 1340 CA SER A 87 -15.862 -3.843 -15.229 1.00 0.00 C ATOM 1341 C SER A 87 -15.745 -2.889 -16.411 1.00 0.00 C ATOM 1342 O SER A 87 -14.638 -2.716 -16.924 1.00 0.00 O ATOM 1343 CB SER A 87 -16.649 -5.107 -15.598 1.00 0.00 C ATOM 1344 OG SER A 87 -15.884 -5.878 -16.499 1.00 0.00 O ATOM 0 H SER A 87 -17.261 -3.638 -13.696 1.00 0.00 H new ATOM 0 HA SER A 87 -14.849 -4.153 -14.972 1.00 0.00 H new ATOM 0 HB2 SER A 87 -16.872 -5.686 -14.702 1.00 0.00 H new ATOM 0 HB3 SER A 87 -17.604 -4.838 -16.050 1.00 0.00 H new ATOM 0 HG SER A 87 -16.380 -6.689 -16.738 1.00 0.00 H new ATOM 1350 N GLY A 88 -16.852 -2.250 -16.797 1.00 0.00 N ATOM 1351 CA GLY A 88 -16.967 -1.360 -17.943 1.00 0.00 C ATOM 1352 C GLY A 88 -16.309 -1.956 -19.184 1.00 0.00 C ATOM 1353 O GLY A 88 -15.236 -1.463 -19.543 1.00 0.00 O ATOM 0 H GLY A 88 -17.732 -2.347 -16.291 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -18.019 -1.163 -18.147 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -16.503 -0.402 -17.709 1.00 0.00 H new ATOM 1357 N PRO A 89 -16.892 -3.012 -19.794 1.00 0.00 N ATOM 1358 CA PRO A 89 -16.301 -3.790 -20.883 1.00 0.00 C ATOM 1359 C PRO A 89 -16.118 -2.976 -22.176 1.00 0.00 C ATOM 1360 O PRO A 89 -16.825 -3.150 -23.168 1.00 0.00 O ATOM 1361 CB PRO A 89 -17.196 -5.028 -21.057 1.00 0.00 C ATOM 1362 CG PRO A 89 -18.553 -4.541 -20.561 1.00 0.00 C ATOM 1363 CD PRO A 89 -18.152 -3.634 -19.403 1.00 0.00 C ATOM 0 HA PRO A 89 -15.282 -4.090 -20.637 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -17.239 -5.352 -22.097 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -16.833 -5.874 -20.474 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -19.101 -4.001 -21.333 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -19.189 -5.364 -20.235 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -18.917 -2.880 -19.215 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -18.035 -4.206 -18.482 1.00 0.00 H new ATOM 1371 N SER A 90 -15.114 -2.104 -22.181 1.00 0.00 N ATOM 1372 CA SER A 90 -14.669 -1.335 -23.326 1.00 0.00 C ATOM 1373 C SER A 90 -14.144 -2.308 -24.385 1.00 0.00 C ATOM 1374 O SER A 90 -13.411 -3.252 -24.064 1.00 0.00 O ATOM 1375 CB SER A 90 -13.573 -0.379 -22.842 1.00 0.00 C ATOM 1376 OG SER A 90 -13.434 0.705 -23.730 1.00 0.00 O ATOM 0 H SER A 90 -14.566 -1.909 -21.343 1.00 0.00 H new ATOM 0 HA SER A 90 -15.476 -0.752 -23.771 1.00 0.00 H new ATOM 0 HB2 SER A 90 -13.818 -0.011 -21.846 1.00 0.00 H new ATOM 0 HB3 SER A 90 -12.626 -0.913 -22.761 1.00 0.00 H new ATOM 0 HG SER A 90 -12.732 1.306 -23.405 1.00 0.00 H new ATOM 1382 N SER A 91 -14.532 -2.129 -25.647 1.00 0.00 N ATOM 1383 CA SER A 91 -14.001 -2.867 -26.794 1.00 0.00 C ATOM 1384 C SER A 91 -14.197 -2.059 -28.082 1.00 0.00 C ATOM 1385 O SER A 91 -14.925 -1.062 -28.089 1.00 0.00 O ATOM 1386 CB SER A 91 -14.680 -4.245 -26.886 1.00 0.00 C ATOM 1387 OG SER A 91 -14.159 -5.082 -25.867 1.00 0.00 O ATOM 0 H SER A 91 -15.245 -1.447 -25.908 1.00 0.00 H new ATOM 0 HA SER A 91 -12.931 -3.023 -26.660 1.00 0.00 H new ATOM 0 HB2 SER A 91 -15.759 -4.142 -26.774 1.00 0.00 H new ATOM 0 HB3 SER A 91 -14.502 -4.688 -27.866 1.00 0.00 H new ATOM 0 HG SER A 91 -13.564 -4.561 -25.288 1.00 0.00 H new ATOM 1393 N GLY A 92 -13.525 -2.500 -29.145 1.00 0.00 N ATOM 1394 CA GLY A 92 -13.261 -1.782 -30.381 1.00 0.00 C ATOM 1395 C GLY A 92 -11.827 -2.115 -30.757 1.00 0.00 C ATOM 1396 O GLY A 92 -11.213 -2.972 -30.069 1.00 0.00 O ATOM 0 H GLY A 92 -13.124 -3.438 -29.161 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -13.952 -2.089 -31.166 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -13.390 -0.708 -30.244 1.00 0.00 H new TER 1400 GLY A 92