USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 569 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 10 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 58 GLN : amide:sc= -0.0105 X(o=-0.011,f=-0.49) USER MOD Single : A 1 GLY N :NH3+ -114:sc= 0.109 (180deg=0) USER MOD Single : A 2 SER OG : rot 60:sc= 0.279 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.158 K(o=-0.16,f=-1.6!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 98:sc= 0.216 USER MOD Single : A 41 GLN : amide:sc=-0.00868 X(o=-0.0087,f=-0.2) USER MOD Single : A 42 ASN : amide:sc= -0.297 K(o=-0.3,f=-2.8!) USER MOD Single : A 43 ASN : amide:sc= -6.31! C(o=-6.3!,f=-4.9!) USER MOD Single : A 46 ASN : amide:sc= -1.79 K(o=-1.8,f=-17!) USER MOD Single : A 47 GLN : amide:sc= -0.296 K(o=-0.3,f=-2.3!) USER MOD Single : A 50 SER OG : rot 180:sc= 0.00517 USER MOD Single : A 53 TYR OH : rot -173:sc= -2.86! USER MOD Single : A 56 ASN : amide:sc=-0.000704 X(o=-0.0007,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot -31:sc= 1.28 USER MOD Single : A 63 TYR OH : rot 180:sc= -0.15 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.546 15.530 11.384 1.00 0.00 N ATOM 2 CA GLY A 1 2.859 14.909 11.348 1.00 0.00 C ATOM 3 C GLY A 1 2.787 13.512 10.728 1.00 0.00 C ATOM 4 O GLY A 1 1.709 12.929 10.624 1.00 0.00 O ATOM 0 H1 GLY A 1 1.535 16.355 10.751 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.829 14.844 11.072 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.333 15.836 12.355 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.544 15.531 10.773 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.262 14.842 12.359 1.00 0.00 H new ATOM 8 N SER A 2 3.950 13.016 10.330 1.00 0.00 N ATOM 9 CA SER A 2 4.033 11.698 9.722 1.00 0.00 C ATOM 10 C SER A 2 5.488 11.368 9.385 1.00 0.00 C ATOM 11 O SER A 2 6.235 12.233 8.931 1.00 0.00 O ATOM 12 CB SER A 2 3.165 11.617 8.465 1.00 0.00 C ATOM 13 OG SER A 2 1.992 10.835 8.676 1.00 0.00 O ATOM 0 H SER A 2 4.842 13.503 10.417 1.00 0.00 H new ATOM 0 HA SER A 2 3.658 10.966 10.438 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.880 12.623 8.156 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.746 11.186 7.650 1.00 0.00 H new ATOM 0 HG SER A 2 1.460 11.231 9.398 1.00 0.00 H new ATOM 19 N SER A 3 5.847 10.115 9.621 1.00 0.00 N ATOM 20 CA SER A 3 7.199 9.660 9.348 1.00 0.00 C ATOM 21 C SER A 3 7.297 8.148 9.567 1.00 0.00 C ATOM 22 O SER A 3 6.440 7.556 10.221 1.00 0.00 O ATOM 23 CB SER A 3 8.215 10.391 10.228 1.00 0.00 C ATOM 24 OG SER A 3 9.307 10.903 9.471 1.00 0.00 O ATOM 0 H SER A 3 5.225 9.400 9.998 1.00 0.00 H new ATOM 0 HA SER A 3 7.432 9.886 8.307 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.720 11.210 10.749 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.591 9.709 10.991 1.00 0.00 H new ATOM 0 HG SER A 3 9.932 11.364 10.069 1.00 0.00 H new ATOM 30 N GLY A 4 8.349 7.568 9.008 1.00 0.00 N ATOM 31 CA GLY A 4 8.570 6.138 9.135 1.00 0.00 C ATOM 32 C GLY A 4 9.704 5.675 8.217 1.00 0.00 C ATOM 33 O GLY A 4 10.138 6.417 7.338 1.00 0.00 O ATOM 0 H GLY A 4 9.058 8.063 8.466 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.812 5.894 10.169 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.654 5.601 8.887 1.00 0.00 H new ATOM 37 N SER A 5 10.151 4.451 8.454 1.00 0.00 N ATOM 38 CA SER A 5 11.226 3.880 7.660 1.00 0.00 C ATOM 39 C SER A 5 10.682 2.762 6.769 1.00 0.00 C ATOM 40 O SER A 5 9.533 2.348 6.918 1.00 0.00 O ATOM 41 CB SER A 5 12.348 3.347 8.554 1.00 0.00 C ATOM 42 OG SER A 5 13.615 3.393 7.904 1.00 0.00 O ATOM 0 H SER A 5 9.789 3.838 9.185 1.00 0.00 H new ATOM 0 HA SER A 5 11.642 4.667 7.031 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.390 3.933 9.472 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.125 2.320 8.842 1.00 0.00 H new ATOM 0 HG SER A 5 14.305 3.046 8.507 1.00 0.00 H new ATOM 48 N SER A 6 11.532 2.305 5.862 1.00 0.00 N ATOM 49 CA SER A 6 11.151 1.243 4.946 1.00 0.00 C ATOM 50 C SER A 6 12.247 0.177 4.895 1.00 0.00 C ATOM 51 O SER A 6 11.996 -0.991 5.186 1.00 0.00 O ATOM 52 CB SER A 6 10.881 1.794 3.545 1.00 0.00 C ATOM 53 OG SER A 6 9.826 1.095 2.890 1.00 0.00 O ATOM 0 H SER A 6 12.484 2.651 5.741 1.00 0.00 H new ATOM 0 HA SER A 6 10.230 0.790 5.312 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.627 2.852 3.614 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.789 1.723 2.946 1.00 0.00 H new ATOM 0 HG SER A 6 9.683 1.478 1.999 1.00 0.00 H new ATOM 59 N GLY A 7 13.440 0.618 4.524 1.00 0.00 N ATOM 60 CA GLY A 7 14.576 -0.283 4.431 1.00 0.00 C ATOM 61 C GLY A 7 14.530 -1.091 3.132 1.00 0.00 C ATOM 62 O GLY A 7 13.537 -1.051 2.407 1.00 0.00 O ATOM 0 H GLY A 7 13.645 1.588 4.284 1.00 0.00 H new ATOM 0 HA2 GLY A 7 15.503 0.289 4.475 1.00 0.00 H new ATOM 0 HA3 GLY A 7 14.578 -0.960 5.285 1.00 0.00 H new ATOM 66 N LYS A 8 15.617 -1.805 2.878 1.00 0.00 N ATOM 67 CA LYS A 8 15.713 -2.621 1.680 1.00 0.00 C ATOM 68 C LYS A 8 14.848 -3.872 1.849 1.00 0.00 C ATOM 69 O LYS A 8 15.343 -4.922 2.257 1.00 0.00 O ATOM 70 CB LYS A 8 17.177 -2.925 1.354 1.00 0.00 C ATOM 71 CG LYS A 8 17.662 -2.080 0.174 1.00 0.00 C ATOM 72 CD LYS A 8 19.191 -2.023 0.134 1.00 0.00 C ATOM 73 CE LYS A 8 19.715 -2.346 -1.267 1.00 0.00 C ATOM 74 NZ LYS A 8 21.190 -2.231 -1.308 1.00 0.00 N ATOM 0 H LYS A 8 16.439 -1.835 3.482 1.00 0.00 H new ATOM 0 HA LYS A 8 15.325 -2.079 0.818 1.00 0.00 H new ATOM 0 HB2 LYS A 8 17.797 -2.726 2.228 1.00 0.00 H new ATOM 0 HB3 LYS A 8 17.289 -3.983 1.119 1.00 0.00 H new ATOM 0 HG2 LYS A 8 17.285 -2.500 -0.758 1.00 0.00 H new ATOM 0 HG3 LYS A 8 17.259 -1.071 0.254 1.00 0.00 H new ATOM 0 HD2 LYS A 8 19.529 -1.031 0.433 1.00 0.00 H new ATOM 0 HD3 LYS A 8 19.604 -2.731 0.853 1.00 0.00 H new ATOM 0 HE2 LYS A 8 19.415 -3.355 -1.550 1.00 0.00 H new ATOM 0 HE3 LYS A 8 19.271 -1.666 -1.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 21.529 -2.453 -2.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 21.470 -1.261 -1.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 21.609 -2.898 -0.629 1.00 0.00 H new ATOM 88 N VAL A 9 13.572 -3.719 1.527 1.00 0.00 N ATOM 89 CA VAL A 9 12.634 -4.823 1.638 1.00 0.00 C ATOM 90 C VAL A 9 12.650 -5.632 0.340 1.00 0.00 C ATOM 91 O VAL A 9 13.115 -5.149 -0.691 1.00 0.00 O ATOM 92 CB VAL A 9 11.244 -4.294 1.996 1.00 0.00 C ATOM 93 CG1 VAL A 9 11.286 -3.470 3.285 1.00 0.00 C ATOM 94 CG2 VAL A 9 10.653 -3.480 0.844 1.00 0.00 C ATOM 0 H VAL A 9 13.166 -2.847 1.189 1.00 0.00 H new ATOM 0 HA VAL A 9 12.929 -5.495 2.444 1.00 0.00 H new ATOM 0 HB VAL A 9 10.594 -5.152 2.168 1.00 0.00 H new ATOM 0 HG11 VAL A 9 10.285 -3.106 3.517 1.00 0.00 H new ATOM 0 HG12 VAL A 9 11.644 -4.094 4.104 1.00 0.00 H new ATOM 0 HG13 VAL A 9 11.959 -2.623 3.153 1.00 0.00 H new ATOM 0 HG21 VAL A 9 9.665 -3.116 1.125 1.00 0.00 H new ATOM 0 HG22 VAL A 9 11.303 -2.633 0.626 1.00 0.00 H new ATOM 0 HG23 VAL A 9 10.569 -4.110 -0.041 1.00 0.00 H new ATOM 104 N SER A 10 12.136 -6.850 0.433 1.00 0.00 N ATOM 105 CA SER A 10 12.085 -7.731 -0.721 1.00 0.00 C ATOM 106 C SER A 10 10.639 -7.890 -1.195 1.00 0.00 C ATOM 107 O SER A 10 9.704 -7.546 -0.473 1.00 0.00 O ATOM 108 CB SER A 10 12.691 -9.098 -0.398 1.00 0.00 C ATOM 109 OG SER A 10 12.944 -9.254 0.996 1.00 0.00 O ATOM 0 H SER A 10 11.751 -7.247 1.290 1.00 0.00 H new ATOM 0 HA SER A 10 12.675 -7.282 -1.520 1.00 0.00 H new ATOM 0 HB2 SER A 10 12.014 -9.883 -0.734 1.00 0.00 H new ATOM 0 HB3 SER A 10 13.622 -9.222 -0.951 1.00 0.00 H new ATOM 0 HG SER A 10 13.329 -10.140 1.161 1.00 0.00 H new ATOM 115 N PRO A 11 10.496 -8.425 -2.437 1.00 0.00 N ATOM 116 CA PRO A 11 9.180 -8.634 -3.015 1.00 0.00 C ATOM 117 C PRO A 11 8.486 -9.840 -2.378 1.00 0.00 C ATOM 118 O PRO A 11 9.145 -10.719 -1.826 1.00 0.00 O ATOM 119 CB PRO A 11 9.428 -8.810 -4.504 1.00 0.00 C ATOM 120 CG PRO A 11 10.901 -9.156 -4.644 1.00 0.00 C ATOM 121 CD PRO A 11 11.581 -8.844 -3.320 1.00 0.00 C ATOM 0 HA PRO A 11 8.503 -7.799 -2.833 1.00 0.00 H new ATOM 0 HB2 PRO A 11 8.800 -9.602 -4.913 1.00 0.00 H new ATOM 0 HB3 PRO A 11 9.188 -7.898 -5.050 1.00 0.00 H new ATOM 0 HG2 PRO A 11 11.023 -10.209 -4.897 1.00 0.00 H new ATOM 0 HG3 PRO A 11 11.354 -8.580 -5.451 1.00 0.00 H new ATOM 0 HD2 PRO A 11 12.098 -9.718 -2.925 1.00 0.00 H new ATOM 0 HD3 PRO A 11 12.326 -8.057 -3.433 1.00 0.00 H new ATOM 129 N PRO A 12 7.130 -9.843 -2.480 1.00 0.00 N ATOM 130 CA PRO A 12 6.340 -10.926 -1.920 1.00 0.00 C ATOM 131 C PRO A 12 6.442 -12.183 -2.787 1.00 0.00 C ATOM 132 O PRO A 12 6.993 -12.141 -3.885 1.00 0.00 O ATOM 133 CB PRO A 12 4.925 -10.377 -1.834 1.00 0.00 C ATOM 134 CG PRO A 12 4.883 -9.183 -2.772 1.00 0.00 C ATOM 135 CD PRO A 12 6.316 -8.818 -3.127 1.00 0.00 C ATOM 0 HA PRO A 12 6.692 -11.239 -0.937 1.00 0.00 H new ATOM 0 HB2 PRO A 12 4.195 -11.131 -2.129 1.00 0.00 H new ATOM 0 HB3 PRO A 12 4.683 -10.081 -0.813 1.00 0.00 H new ATOM 0 HG2 PRO A 12 4.316 -9.424 -3.671 1.00 0.00 H new ATOM 0 HG3 PRO A 12 4.381 -8.341 -2.295 1.00 0.00 H new ATOM 0 HD2 PRO A 12 6.468 -8.814 -4.206 1.00 0.00 H new ATOM 0 HD3 PRO A 12 6.572 -7.822 -2.766 1.00 0.00 H new ATOM 143 N GLU A 13 5.902 -13.272 -2.259 1.00 0.00 N ATOM 144 CA GLU A 13 5.925 -14.539 -2.970 1.00 0.00 C ATOM 145 C GLU A 13 4.542 -14.850 -3.545 1.00 0.00 C ATOM 146 O GLU A 13 4.054 -15.973 -3.424 1.00 0.00 O ATOM 147 CB GLU A 13 6.408 -15.670 -2.061 1.00 0.00 C ATOM 148 CG GLU A 13 7.920 -15.869 -2.188 1.00 0.00 C ATOM 149 CD GLU A 13 8.252 -16.825 -3.336 1.00 0.00 C ATOM 150 OE1 GLU A 13 8.300 -16.337 -4.486 1.00 0.00 O ATOM 151 OE2 GLU A 13 8.450 -18.022 -3.038 1.00 0.00 O ATOM 0 H GLU A 13 5.446 -13.303 -1.347 1.00 0.00 H new ATOM 0 HA GLU A 13 6.631 -14.456 -3.797 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.153 -15.443 -1.026 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.893 -16.595 -2.321 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.404 -14.907 -2.359 1.00 0.00 H new ATOM 0 HG3 GLU A 13 8.318 -16.265 -1.254 1.00 0.00 H new ATOM 158 N ASP A 14 3.949 -13.836 -4.158 1.00 0.00 N ATOM 159 CA ASP A 14 2.631 -13.988 -4.752 1.00 0.00 C ATOM 160 C ASP A 14 2.405 -12.871 -5.772 1.00 0.00 C ATOM 161 O ASP A 14 2.194 -11.718 -5.399 1.00 0.00 O ATOM 162 CB ASP A 14 1.534 -13.888 -3.690 1.00 0.00 C ATOM 163 CG ASP A 14 0.104 -13.991 -4.226 1.00 0.00 C ATOM 164 OD1 ASP A 14 -0.176 -15.002 -4.904 1.00 0.00 O ATOM 165 OD2 ASP A 14 -0.676 -13.055 -3.945 1.00 0.00 O ATOM 0 H ASP A 14 4.357 -12.906 -4.256 1.00 0.00 H new ATOM 0 HA ASP A 14 2.585 -14.968 -5.226 1.00 0.00 H new ATOM 0 HB2 ASP A 14 1.688 -14.678 -2.954 1.00 0.00 H new ATOM 0 HB3 ASP A 14 1.642 -12.938 -3.166 1.00 0.00 H new ATOM 170 N GLU A 15 2.456 -13.252 -7.040 1.00 0.00 N ATOM 171 CA GLU A 15 2.259 -12.297 -8.117 1.00 0.00 C ATOM 172 C GLU A 15 0.951 -11.529 -7.914 1.00 0.00 C ATOM 173 O GLU A 15 0.945 -10.299 -7.898 1.00 0.00 O ATOM 174 CB GLU A 15 2.280 -12.994 -9.479 1.00 0.00 C ATOM 175 CG GLU A 15 3.420 -12.463 -10.350 1.00 0.00 C ATOM 176 CD GLU A 15 3.419 -13.135 -11.724 1.00 0.00 C ATOM 177 OE1 GLU A 15 2.489 -12.835 -12.503 1.00 0.00 O ATOM 178 OE2 GLU A 15 4.350 -13.935 -11.965 1.00 0.00 O ATOM 0 H GLU A 15 2.631 -14.209 -7.346 1.00 0.00 H new ATOM 0 HA GLU A 15 3.083 -11.583 -8.098 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.395 -14.069 -9.339 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.328 -12.838 -9.986 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.319 -11.384 -10.469 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.374 -12.642 -9.855 1.00 0.00 H new ATOM 185 N GLU A 16 -0.125 -12.287 -7.763 1.00 0.00 N ATOM 186 CA GLU A 16 -1.436 -11.694 -7.561 1.00 0.00 C ATOM 187 C GLU A 16 -1.345 -10.529 -6.572 1.00 0.00 C ATOM 188 O GLU A 16 -2.152 -9.602 -6.624 1.00 0.00 O ATOM 189 CB GLU A 16 -2.444 -12.740 -7.083 1.00 0.00 C ATOM 190 CG GLU A 16 -3.321 -13.224 -8.240 1.00 0.00 C ATOM 191 CD GLU A 16 -4.293 -14.310 -7.773 1.00 0.00 C ATOM 192 OE1 GLU A 16 -5.011 -14.043 -6.785 1.00 0.00 O ATOM 193 OE2 GLU A 16 -4.297 -15.382 -8.416 1.00 0.00 O ATOM 0 H GLU A 16 -0.116 -13.307 -7.776 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.789 -11.308 -8.517 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.915 -13.586 -6.644 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.071 -12.315 -6.300 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.879 -12.384 -8.654 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.692 -13.614 -9.040 1.00 0.00 H new ATOM 200 N ALA A 17 -0.355 -10.615 -5.695 1.00 0.00 N ATOM 201 CA ALA A 17 -0.149 -9.580 -4.696 1.00 0.00 C ATOM 202 C ALA A 17 0.739 -8.481 -5.284 1.00 0.00 C ATOM 203 O ALA A 17 0.342 -7.318 -5.332 1.00 0.00 O ATOM 204 CB ALA A 17 0.452 -10.202 -3.434 1.00 0.00 C ATOM 0 H ALA A 17 0.313 -11.385 -5.656 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.098 -9.123 -4.414 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.607 -9.426 -2.684 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.229 -10.956 -3.040 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.407 -10.667 -3.677 1.00 0.00 H new ATOM 210 N LYS A 18 1.923 -8.888 -5.716 1.00 0.00 N ATOM 211 CA LYS A 18 2.870 -7.952 -6.298 1.00 0.00 C ATOM 212 C LYS A 18 2.119 -6.967 -7.196 1.00 0.00 C ATOM 213 O LYS A 18 2.539 -5.822 -7.354 1.00 0.00 O ATOM 214 CB LYS A 18 3.994 -8.703 -7.014 1.00 0.00 C ATOM 215 CG LYS A 18 5.358 -8.096 -6.679 1.00 0.00 C ATOM 216 CD LYS A 18 6.491 -9.053 -7.057 1.00 0.00 C ATOM 217 CE LYS A 18 7.098 -8.676 -8.411 1.00 0.00 C ATOM 218 NZ LYS A 18 6.443 -9.434 -9.500 1.00 0.00 N ATOM 0 H LYS A 18 2.249 -9.854 -5.675 1.00 0.00 H new ATOM 0 HA LYS A 18 3.356 -7.366 -5.518 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.978 -9.753 -6.723 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.831 -8.668 -8.091 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.481 -7.153 -7.211 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.408 -7.870 -5.614 1.00 0.00 H new ATOM 0 HD2 LYS A 18 7.264 -9.029 -6.289 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.112 -10.074 -7.096 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.982 -7.606 -8.583 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.168 -8.884 -8.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.866 -9.167 -10.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.576 -10.453 -9.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.426 -9.215 -9.513 1.00 0.00 H new ATOM 232 N ASN A 19 1.021 -7.448 -7.761 1.00 0.00 N ATOM 233 CA ASN A 19 0.208 -6.624 -8.639 1.00 0.00 C ATOM 234 C ASN A 19 -0.789 -5.823 -7.800 1.00 0.00 C ATOM 235 O ASN A 19 -0.905 -4.608 -7.958 1.00 0.00 O ATOM 236 CB ASN A 19 -0.586 -7.485 -9.623 1.00 0.00 C ATOM 237 CG ASN A 19 -0.496 -6.920 -11.042 1.00 0.00 C ATOM 238 OD1 ASN A 19 -0.136 -5.775 -11.260 1.00 0.00 O ATOM 239 ND2 ASN A 19 -0.843 -7.784 -11.992 1.00 0.00 N ATOM 0 H ASN A 19 0.676 -8.398 -7.628 1.00 0.00 H new ATOM 0 HA ASN A 19 0.874 -5.963 -9.194 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.204 -8.506 -9.609 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.630 -7.531 -9.312 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.817 -7.502 -12.972 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -1.135 -8.728 -11.741 1.00 0.00 H new ATOM 246 N LEU A 20 -1.485 -6.535 -6.926 1.00 0.00 N ATOM 247 CA LEU A 20 -2.469 -5.906 -6.062 1.00 0.00 C ATOM 248 C LEU A 20 -1.803 -4.774 -5.278 1.00 0.00 C ATOM 249 O LEU A 20 -2.301 -3.649 -5.259 1.00 0.00 O ATOM 250 CB LEU A 20 -3.150 -6.950 -5.176 1.00 0.00 C ATOM 251 CG LEU A 20 -4.358 -7.664 -5.787 1.00 0.00 C ATOM 252 CD1 LEU A 20 -5.038 -8.570 -4.759 1.00 0.00 C ATOM 253 CD2 LEU A 20 -5.335 -6.660 -6.402 1.00 0.00 C ATOM 0 H LEU A 20 -1.387 -7.542 -6.798 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.266 -5.458 -6.655 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.410 -7.701 -4.900 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.469 -6.463 -4.254 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.003 -8.304 -6.595 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.893 -9.065 -5.219 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.329 -9.321 -4.410 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.377 -7.971 -3.914 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.184 -7.193 -6.829 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.687 -5.976 -5.630 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.830 -6.095 -7.185 1.00 0.00 H new ATOM 265 N ALA A 21 -0.687 -5.110 -4.648 1.00 0.00 N ATOM 266 CA ALA A 21 0.053 -4.136 -3.864 1.00 0.00 C ATOM 267 C ALA A 21 0.291 -2.883 -4.708 1.00 0.00 C ATOM 268 O ALA A 21 -0.120 -1.787 -4.330 1.00 0.00 O ATOM 269 CB ALA A 21 1.358 -4.763 -3.369 1.00 0.00 C ATOM 0 H ALA A 21 -0.277 -6.044 -4.665 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.518 -3.837 -2.985 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.913 -4.032 -2.781 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.133 -5.631 -2.750 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.960 -5.073 -4.223 1.00 0.00 H new ATOM 275 N GLU A 22 0.955 -3.086 -5.837 1.00 0.00 N ATOM 276 CA GLU A 22 1.253 -1.986 -6.739 1.00 0.00 C ATOM 277 C GLU A 22 -0.033 -1.250 -7.121 1.00 0.00 C ATOM 278 O GLU A 22 -0.134 -0.037 -6.943 1.00 0.00 O ATOM 279 CB GLU A 22 1.992 -2.482 -7.983 1.00 0.00 C ATOM 280 CG GLU A 22 3.281 -1.689 -8.208 1.00 0.00 C ATOM 281 CD GLU A 22 3.450 -1.326 -9.685 1.00 0.00 C ATOM 282 OE1 GLU A 22 2.641 -0.502 -10.164 1.00 0.00 O ATOM 283 OE2 GLU A 22 4.384 -1.881 -10.302 1.00 0.00 O ATOM 0 H GLU A 22 1.295 -3.996 -6.148 1.00 0.00 H new ATOM 0 HA GLU A 22 1.909 -1.286 -6.223 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.227 -3.541 -7.873 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.346 -2.388 -8.856 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.263 -0.780 -7.606 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.136 -2.276 -7.874 1.00 0.00 H new ATOM 290 N LYS A 23 -0.982 -2.015 -7.640 1.00 0.00 N ATOM 291 CA LYS A 23 -2.257 -1.450 -8.049 1.00 0.00 C ATOM 292 C LYS A 23 -2.838 -0.626 -6.899 1.00 0.00 C ATOM 293 O LYS A 23 -2.972 0.592 -7.008 1.00 0.00 O ATOM 294 CB LYS A 23 -3.194 -2.551 -8.552 1.00 0.00 C ATOM 295 CG LYS A 23 -4.023 -2.064 -9.742 1.00 0.00 C ATOM 296 CD LYS A 23 -5.412 -1.609 -9.293 1.00 0.00 C ATOM 297 CE LYS A 23 -6.506 -2.443 -9.963 1.00 0.00 C ATOM 298 NZ LYS A 23 -6.913 -1.830 -11.246 1.00 0.00 N ATOM 0 H LYS A 23 -0.894 -3.021 -7.787 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.120 -0.771 -8.890 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.611 -3.425 -8.844 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.857 -2.865 -7.746 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.508 -1.239 -10.235 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.118 -2.865 -10.475 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.495 -1.697 -8.210 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.551 -0.556 -9.539 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.144 -3.456 -10.136 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -7.368 -2.521 -9.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -7.656 -2.409 -11.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.278 -0.872 -11.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.092 -1.778 -11.882 1.00 0.00 H new ATOM 312 N LEU A 24 -3.168 -1.324 -5.821 1.00 0.00 N ATOM 313 CA LEU A 24 -3.732 -0.672 -4.652 1.00 0.00 C ATOM 314 C LEU A 24 -3.005 0.653 -4.411 1.00 0.00 C ATOM 315 O LEU A 24 -3.635 1.707 -4.341 1.00 0.00 O ATOM 316 CB LEU A 24 -3.705 -1.615 -3.447 1.00 0.00 C ATOM 317 CG LEU A 24 -4.910 -1.539 -2.508 1.00 0.00 C ATOM 318 CD1 LEU A 24 -4.816 -0.316 -1.594 1.00 0.00 C ATOM 319 CD2 LEU A 24 -6.222 -1.566 -3.296 1.00 0.00 C ATOM 0 H LEU A 24 -3.055 -2.334 -5.734 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.783 -0.434 -4.819 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.619 -2.638 -3.813 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.805 -1.407 -2.868 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.901 -2.421 -1.868 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.685 -0.286 -0.937 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.909 -0.379 -0.993 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.788 0.590 -2.200 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.063 -1.511 -2.605 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.255 -0.715 -3.977 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.283 -2.491 -3.869 1.00 0.00 H new ATOM 331 N ALA A 25 -1.689 0.556 -4.292 1.00 0.00 N ATOM 332 CA ALA A 25 -0.870 1.733 -4.061 1.00 0.00 C ATOM 333 C ALA A 25 -1.108 2.744 -5.185 1.00 0.00 C ATOM 334 O ALA A 25 -1.489 3.885 -4.928 1.00 0.00 O ATOM 335 CB ALA A 25 0.599 1.320 -3.951 1.00 0.00 C ATOM 0 H ALA A 25 -1.170 -0.320 -4.351 1.00 0.00 H new ATOM 0 HA ALA A 25 -1.145 2.213 -3.122 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.213 2.204 -3.778 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.720 0.625 -3.120 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.911 0.837 -4.877 1.00 0.00 H new ATOM 341 N ARG A 26 -0.874 2.288 -6.407 1.00 0.00 N ATOM 342 CA ARG A 26 -1.059 3.138 -7.571 1.00 0.00 C ATOM 343 C ARG A 26 -2.372 3.915 -7.457 1.00 0.00 C ATOM 344 O ARG A 26 -2.425 5.102 -7.776 1.00 0.00 O ATOM 345 CB ARG A 26 -1.073 2.313 -8.859 1.00 0.00 C ATOM 346 CG ARG A 26 0.156 2.617 -9.718 1.00 0.00 C ATOM 347 CD ARG A 26 -0.254 3.077 -11.118 1.00 0.00 C ATOM 348 NE ARG A 26 0.765 2.661 -12.107 1.00 0.00 N ATOM 349 CZ ARG A 26 0.919 3.228 -13.311 1.00 0.00 C ATOM 350 NH1 ARG A 26 0.120 4.237 -13.684 1.00 0.00 N ATOM 351 NH2 ARG A 26 1.871 2.785 -14.144 1.00 0.00 N ATOM 0 H ARG A 26 -0.558 1.341 -6.616 1.00 0.00 H new ATOM 0 HA ARG A 26 -0.222 3.835 -7.609 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -1.097 1.251 -8.615 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.979 2.530 -9.424 1.00 0.00 H new ATOM 0 HG2 ARG A 26 0.757 3.390 -9.239 1.00 0.00 H new ATOM 0 HG3 ARG A 26 0.781 1.727 -9.792 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -1.222 2.651 -11.380 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -0.367 4.161 -11.135 1.00 0.00 H new ATOM 0 HE ARG A 26 1.389 1.894 -11.856 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -0.606 4.574 -13.051 1.00 0.00 H new ATOM 0 HH12 ARG A 26 0.238 4.668 -14.601 1.00 0.00 H new ATOM 0 HH21 ARG A 26 2.478 2.016 -13.861 1.00 0.00 H new ATOM 0 HH22 ARG A 26 1.988 3.217 -15.061 1.00 0.00 H new ATOM 365 N PHE A 27 -3.400 3.214 -7.001 1.00 0.00 N ATOM 366 CA PHE A 27 -4.710 3.824 -6.842 1.00 0.00 C ATOM 367 C PHE A 27 -4.712 4.822 -5.682 1.00 0.00 C ATOM 368 O PHE A 27 -4.839 6.027 -5.896 1.00 0.00 O ATOM 369 CB PHE A 27 -5.693 2.695 -6.529 1.00 0.00 C ATOM 370 CG PHE A 27 -7.020 3.173 -5.935 1.00 0.00 C ATOM 371 CD1 PHE A 27 -7.758 4.111 -6.586 1.00 0.00 C ATOM 372 CD2 PHE A 27 -7.461 2.658 -4.755 1.00 0.00 C ATOM 373 CE1 PHE A 27 -8.989 4.554 -6.034 1.00 0.00 C ATOM 374 CE2 PHE A 27 -8.692 3.101 -4.204 1.00 0.00 C ATOM 375 CZ PHE A 27 -9.431 4.040 -4.855 1.00 0.00 C ATOM 0 H PHE A 27 -3.353 2.230 -6.737 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.983 4.362 -7.750 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -5.896 2.139 -7.444 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -5.224 2.001 -5.832 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.408 4.519 -7.523 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.875 1.913 -4.238 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -9.575 5.300 -6.551 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -9.042 2.693 -3.268 1.00 0.00 H new ATOM 0 HZ PHE A 27 -10.368 4.377 -4.436 1.00 0.00 H new ATOM 385 N ILE A 28 -4.570 4.285 -4.480 1.00 0.00 N ATOM 386 CA ILE A 28 -4.554 5.113 -3.286 1.00 0.00 C ATOM 387 C ILE A 28 -3.594 6.285 -3.497 1.00 0.00 C ATOM 388 O ILE A 28 -3.784 7.358 -2.927 1.00 0.00 O ATOM 389 CB ILE A 28 -4.232 4.269 -2.052 1.00 0.00 C ATOM 390 CG1 ILE A 28 -5.412 3.367 -1.681 1.00 0.00 C ATOM 391 CG2 ILE A 28 -3.796 5.152 -0.882 1.00 0.00 C ATOM 392 CD1 ILE A 28 -5.029 2.396 -0.562 1.00 0.00 C ATOM 0 H ILE A 28 -4.465 3.285 -4.307 1.00 0.00 H new ATOM 0 HA ILE A 28 -5.541 5.537 -3.104 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.392 3.618 -2.294 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -6.256 3.979 -1.363 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.736 2.807 -2.558 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.573 4.527 -0.018 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.905 5.714 -1.163 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.598 5.846 -0.631 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.885 1.767 -0.317 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.200 1.769 -0.892 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.729 2.959 0.322 1.00 0.00 H new ATOM 404 N ALA A 29 -2.583 6.040 -4.318 1.00 0.00 N ATOM 405 CA ALA A 29 -1.593 7.062 -4.612 1.00 0.00 C ATOM 406 C ALA A 29 -2.256 8.201 -5.388 1.00 0.00 C ATOM 407 O ALA A 29 -1.956 9.372 -5.158 1.00 0.00 O ATOM 408 CB ALA A 29 -0.425 6.437 -5.378 1.00 0.00 C ATOM 0 H ALA A 29 -2.428 5.148 -4.789 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.191 7.482 -3.690 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.318 7.204 -5.598 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.031 5.654 -4.771 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.790 6.007 -6.311 1.00 0.00 H new ATOM 414 N ASP A 30 -3.146 7.819 -6.292 1.00 0.00 N ATOM 415 CA ASP A 30 -3.854 8.794 -7.104 1.00 0.00 C ATOM 416 C ASP A 30 -4.780 9.620 -6.209 1.00 0.00 C ATOM 417 O ASP A 30 -5.287 10.660 -6.627 1.00 0.00 O ATOM 418 CB ASP A 30 -4.714 8.106 -8.166 1.00 0.00 C ATOM 419 CG ASP A 30 -4.344 8.438 -9.613 1.00 0.00 C ATOM 420 OD1 ASP A 30 -4.613 9.589 -10.018 1.00 0.00 O ATOM 421 OD2 ASP A 30 -3.799 7.533 -10.281 1.00 0.00 O ATOM 0 H ASP A 30 -3.393 6.847 -6.480 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.113 9.426 -7.594 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.642 7.027 -8.027 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.756 8.380 -8.001 1.00 0.00 H new ATOM 426 N GLY A 31 -4.972 9.127 -4.995 1.00 0.00 N ATOM 427 CA GLY A 31 -5.828 9.807 -4.037 1.00 0.00 C ATOM 428 C GLY A 31 -4.997 10.500 -2.955 1.00 0.00 C ATOM 429 O GLY A 31 -4.170 11.358 -3.258 1.00 0.00 O ATOM 0 H GLY A 31 -4.550 8.264 -4.652 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.445 10.542 -4.553 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.506 9.089 -3.576 1.00 0.00 H new ATOM 433 N GLY A 32 -5.247 10.102 -1.717 1.00 0.00 N ATOM 434 CA GLY A 32 -4.532 10.674 -0.588 1.00 0.00 C ATOM 435 C GLY A 32 -5.029 10.082 0.732 1.00 0.00 C ATOM 436 O GLY A 32 -5.252 8.876 0.831 1.00 0.00 O ATOM 0 H GLY A 32 -5.935 9.390 -1.470 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -3.464 10.485 -0.696 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.665 11.756 -0.579 1.00 0.00 H new ATOM 440 N PRO A 33 -5.192 10.981 1.740 1.00 0.00 N ATOM 441 CA PRO A 33 -5.657 10.560 3.050 1.00 0.00 C ATOM 442 C PRO A 33 -7.158 10.260 3.029 1.00 0.00 C ATOM 443 O PRO A 33 -7.724 9.834 4.034 1.00 0.00 O ATOM 444 CB PRO A 33 -5.294 11.703 3.983 1.00 0.00 C ATOM 445 CG PRO A 33 -5.060 12.911 3.091 1.00 0.00 C ATOM 446 CD PRO A 33 -4.937 12.416 1.659 1.00 0.00 C ATOM 0 HA PRO A 33 -5.194 9.630 3.381 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -6.095 11.894 4.697 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -4.401 11.466 4.562 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -5.885 13.618 3.181 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -4.155 13.438 3.392 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.657 12.910 1.006 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.946 12.620 1.253 1.00 0.00 H new ATOM 454 N GLU A 34 -7.759 10.494 1.872 1.00 0.00 N ATOM 455 CA GLU A 34 -9.182 10.255 1.706 1.00 0.00 C ATOM 456 C GLU A 34 -9.423 8.853 1.141 1.00 0.00 C ATOM 457 O GLU A 34 -10.265 8.113 1.645 1.00 0.00 O ATOM 458 CB GLU A 34 -9.817 11.322 0.812 1.00 0.00 C ATOM 459 CG GLU A 34 -11.254 11.619 1.249 1.00 0.00 C ATOM 460 CD GLU A 34 -11.917 12.624 0.305 1.00 0.00 C ATOM 461 OE1 GLU A 34 -12.362 12.180 -0.776 1.00 0.00 O ATOM 462 OE2 GLU A 34 -11.964 13.814 0.686 1.00 0.00 O ATOM 0 H GLU A 34 -7.286 10.847 1.040 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.657 10.318 2.685 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.224 12.236 0.853 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -9.811 10.984 -0.224 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -11.831 10.695 1.266 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -11.255 12.014 2.265 1.00 0.00 H new ATOM 469 N VAL A 35 -8.667 8.532 0.101 1.00 0.00 N ATOM 470 CA VAL A 35 -8.787 7.232 -0.538 1.00 0.00 C ATOM 471 C VAL A 35 -8.358 6.143 0.447 1.00 0.00 C ATOM 472 O VAL A 35 -8.970 5.077 0.506 1.00 0.00 O ATOM 473 CB VAL A 35 -7.982 7.212 -1.839 1.00 0.00 C ATOM 474 CG1 VAL A 35 -6.490 7.025 -1.558 1.00 0.00 C ATOM 475 CG2 VAL A 35 -8.501 6.131 -2.788 1.00 0.00 C ATOM 0 H VAL A 35 -7.970 9.149 -0.315 1.00 0.00 H new ATOM 0 HA VAL A 35 -9.824 7.034 -0.810 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.112 8.177 -2.328 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.941 7.014 -2.500 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.131 7.846 -0.938 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.334 6.081 -1.036 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.912 6.138 -3.705 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.416 5.155 -2.310 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.546 6.328 -3.027 1.00 0.00 H new ATOM 485 N GLU A 36 -7.309 6.447 1.197 1.00 0.00 N ATOM 486 CA GLU A 36 -6.791 5.507 2.176 1.00 0.00 C ATOM 487 C GLU A 36 -7.887 5.119 3.170 1.00 0.00 C ATOM 488 O GLU A 36 -7.742 4.147 3.911 1.00 0.00 O ATOM 489 CB GLU A 36 -5.573 6.086 2.901 1.00 0.00 C ATOM 490 CG GLU A 36 -5.978 6.719 4.233 1.00 0.00 C ATOM 491 CD GLU A 36 -4.814 7.501 4.845 1.00 0.00 C ATOM 492 OE1 GLU A 36 -3.707 6.922 4.898 1.00 0.00 O ATOM 493 OE2 GLU A 36 -5.057 8.660 5.246 1.00 0.00 O ATOM 0 H GLU A 36 -6.804 7.332 1.146 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.467 4.608 1.652 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.841 5.298 3.077 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.091 6.833 2.271 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.827 7.385 4.080 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -6.303 5.942 4.925 1.00 0.00 H new ATOM 500 N THR A 37 -8.958 5.897 3.155 1.00 0.00 N ATOM 501 CA THR A 37 -10.079 5.647 4.046 1.00 0.00 C ATOM 502 C THR A 37 -11.082 4.698 3.387 1.00 0.00 C ATOM 503 O THR A 37 -11.288 3.581 3.859 1.00 0.00 O ATOM 504 CB THR A 37 -10.684 6.996 4.436 1.00 0.00 C ATOM 505 OG1 THR A 37 -9.596 7.711 5.016 1.00 0.00 O ATOM 506 CG2 THR A 37 -11.699 6.876 5.574 1.00 0.00 C ATOM 0 H THR A 37 -9.074 6.702 2.540 1.00 0.00 H new ATOM 0 HA THR A 37 -9.755 5.145 4.958 1.00 0.00 H new ATOM 0 HB THR A 37 -11.165 7.442 3.566 1.00 0.00 H new ATOM 0 HG1 THR A 37 -9.207 8.313 4.348 1.00 0.00 H new ATOM 0 HG21 THR A 37 -12.098 7.862 5.811 1.00 0.00 H new ATOM 0 HG22 THR A 37 -12.513 6.219 5.268 1.00 0.00 H new ATOM 0 HG23 THR A 37 -11.210 6.461 6.455 1.00 0.00 H new ATOM 514 N ILE A 38 -11.680 5.178 2.306 1.00 0.00 N ATOM 515 CA ILE A 38 -12.657 4.387 1.578 1.00 0.00 C ATOM 516 C ILE A 38 -11.973 3.146 1.000 1.00 0.00 C ATOM 517 O ILE A 38 -12.522 2.046 1.058 1.00 0.00 O ATOM 518 CB ILE A 38 -13.364 5.244 0.527 1.00 0.00 C ATOM 519 CG1 ILE A 38 -14.203 6.340 1.188 1.00 0.00 C ATOM 520 CG2 ILE A 38 -14.197 4.376 -0.419 1.00 0.00 C ATOM 521 CD1 ILE A 38 -13.442 7.666 1.226 1.00 0.00 C ATOM 0 H ILE A 38 -11.506 6.105 1.917 1.00 0.00 H new ATOM 0 HA ILE A 38 -13.440 4.037 2.250 1.00 0.00 H new ATOM 0 HB ILE A 38 -12.604 5.740 -0.077 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -15.137 6.468 0.640 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -14.467 6.039 2.202 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -14.689 5.010 -1.156 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -13.546 3.665 -0.928 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -14.950 3.833 0.153 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -14.061 8.427 1.701 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -12.521 7.541 1.795 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -13.201 7.976 0.209 1.00 0.00 H new ATOM 533 N ALA A 39 -10.785 3.364 0.455 1.00 0.00 N ATOM 534 CA ALA A 39 -10.021 2.277 -0.133 1.00 0.00 C ATOM 535 C ALA A 39 -9.798 1.188 0.919 1.00 0.00 C ATOM 536 O ALA A 39 -9.881 -0.001 0.614 1.00 0.00 O ATOM 537 CB ALA A 39 -8.706 2.822 -0.694 1.00 0.00 C ATOM 0 H ALA A 39 -10.333 4.277 0.408 1.00 0.00 H new ATOM 0 HA ALA A 39 -10.569 1.828 -0.962 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.133 2.006 -1.135 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -8.919 3.571 -1.457 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.128 3.278 0.110 1.00 0.00 H new ATOM 543 N LEU A 40 -9.521 1.633 2.136 1.00 0.00 N ATOM 544 CA LEU A 40 -9.286 0.712 3.234 1.00 0.00 C ATOM 545 C LEU A 40 -10.624 0.147 3.716 1.00 0.00 C ATOM 546 O LEU A 40 -10.781 -1.066 3.840 1.00 0.00 O ATOM 547 CB LEU A 40 -8.472 1.390 4.338 1.00 0.00 C ATOM 548 CG LEU A 40 -6.993 1.632 4.029 1.00 0.00 C ATOM 549 CD1 LEU A 40 -6.301 2.349 5.189 1.00 0.00 C ATOM 550 CD2 LEU A 40 -6.289 0.325 3.661 1.00 0.00 C ATOM 0 H LEU A 40 -9.454 2.620 2.385 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.684 -0.133 2.899 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.936 2.349 4.567 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.539 0.780 5.239 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.928 2.288 3.161 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.251 2.509 4.944 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.784 3.311 5.362 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.374 1.739 6.089 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.239 0.525 3.446 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.362 -0.375 4.494 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.763 -0.108 2.781 1.00 0.00 H new ATOM 562 N GLN A 41 -11.554 1.055 3.973 1.00 0.00 N ATOM 563 CA GLN A 41 -12.874 0.662 4.438 1.00 0.00 C ATOM 564 C GLN A 41 -13.457 -0.421 3.528 1.00 0.00 C ATOM 565 O GLN A 41 -14.196 -1.290 3.987 1.00 0.00 O ATOM 566 CB GLN A 41 -13.808 1.871 4.519 1.00 0.00 C ATOM 567 CG GLN A 41 -14.389 2.021 5.927 1.00 0.00 C ATOM 568 CD GLN A 41 -15.593 1.096 6.124 1.00 0.00 C ATOM 569 OE1 GLN A 41 -15.467 -0.111 6.247 1.00 0.00 O ATOM 570 NE2 GLN A 41 -16.762 1.728 6.149 1.00 0.00 N ATOM 0 H GLN A 41 -11.420 2.061 3.868 1.00 0.00 H new ATOM 0 HA GLN A 41 -12.777 0.251 5.443 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -13.263 2.775 4.248 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -14.617 1.759 3.798 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -13.623 1.790 6.667 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -14.690 3.056 6.092 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -16.796 2.742 6.040 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -17.625 1.199 6.277 1.00 0.00 H new ATOM 579 N ASN A 42 -13.102 -0.333 2.254 1.00 0.00 N ATOM 580 CA ASN A 42 -13.581 -1.295 1.276 1.00 0.00 C ATOM 581 C ASN A 42 -12.718 -2.556 1.343 1.00 0.00 C ATOM 582 O ASN A 42 -13.224 -3.646 1.606 1.00 0.00 O ATOM 583 CB ASN A 42 -13.485 -0.731 -0.143 1.00 0.00 C ATOM 584 CG ASN A 42 -14.847 -0.227 -0.626 1.00 0.00 C ATOM 585 OD1 ASN A 42 -15.881 -0.491 -0.035 1.00 0.00 O ATOM 586 ND2 ASN A 42 -14.789 0.513 -1.729 1.00 0.00 N ATOM 0 H ASN A 42 -12.489 0.389 1.877 1.00 0.00 H new ATOM 0 HA ASN A 42 -14.623 -1.520 1.505 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -12.762 0.085 -0.166 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -13.117 -1.502 -0.820 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -15.644 0.898 -2.130 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -13.889 0.696 -2.174 1.00 0.00 H new ATOM 593 N ASN A 43 -11.429 -2.367 1.099 1.00 0.00 N ATOM 594 CA ASN A 43 -10.491 -3.476 1.129 1.00 0.00 C ATOM 595 C ASN A 43 -10.761 -4.334 2.366 1.00 0.00 C ATOM 596 O ASN A 43 -10.570 -5.549 2.337 1.00 0.00 O ATOM 597 CB ASN A 43 -9.047 -2.974 1.207 1.00 0.00 C ATOM 598 CG ASN A 43 -8.546 -2.528 -0.168 1.00 0.00 C ATOM 599 OD1 ASN A 43 -8.820 -3.142 -1.186 1.00 0.00 O ATOM 600 ND2 ASN A 43 -7.799 -1.428 -0.141 1.00 0.00 N ATOM 0 H ASN A 43 -11.013 -1.462 0.880 1.00 0.00 H new ATOM 0 HA ASN A 43 -10.623 -4.054 0.214 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.985 -2.142 1.908 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -8.404 -3.765 1.593 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -7.417 -1.049 -1.008 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -7.608 -0.963 0.746 1.00 0.00 H new ATOM 607 N ARG A 44 -11.202 -3.669 3.424 1.00 0.00 N ATOM 608 CA ARG A 44 -11.500 -4.356 4.669 1.00 0.00 C ATOM 609 C ARG A 44 -12.380 -5.579 4.402 1.00 0.00 C ATOM 610 O ARG A 44 -12.198 -6.626 5.022 1.00 0.00 O ATOM 611 CB ARG A 44 -12.214 -3.427 5.653 1.00 0.00 C ATOM 612 CG ARG A 44 -11.248 -2.915 6.723 1.00 0.00 C ATOM 613 CD ARG A 44 -11.783 -3.200 8.127 1.00 0.00 C ATOM 614 NE ARG A 44 -13.037 -2.447 8.353 1.00 0.00 N ATOM 615 CZ ARG A 44 -14.262 -2.980 8.249 1.00 0.00 C ATOM 616 NH1 ARG A 44 -14.406 -4.271 7.923 1.00 0.00 N ATOM 617 NH2 ARG A 44 -15.344 -2.221 8.472 1.00 0.00 N ATOM 0 H ARG A 44 -11.360 -2.662 3.444 1.00 0.00 H new ATOM 0 HA ARG A 44 -10.554 -4.673 5.108 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -12.646 -2.584 5.114 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -13.039 -3.959 6.127 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -10.275 -3.391 6.597 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -11.097 -1.843 6.598 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -11.964 -4.268 8.246 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -11.040 -2.917 8.873 1.00 0.00 H new ATOM 0 HE ARG A 44 -12.964 -1.461 8.604 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -13.583 -4.849 7.754 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -15.339 -4.676 7.844 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -15.235 -1.238 8.721 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -16.277 -2.627 8.393 1.00 0.00 H new ATOM 631 N GLU A 45 -13.315 -5.406 3.480 1.00 0.00 N ATOM 632 CA GLU A 45 -14.224 -6.483 3.124 1.00 0.00 C ATOM 633 C GLU A 45 -13.492 -7.544 2.301 1.00 0.00 C ATOM 634 O GLU A 45 -13.733 -8.739 2.467 1.00 0.00 O ATOM 635 CB GLU A 45 -15.441 -5.945 2.369 1.00 0.00 C ATOM 636 CG GLU A 45 -16.518 -5.457 3.340 1.00 0.00 C ATOM 637 CD GLU A 45 -17.732 -6.388 3.325 1.00 0.00 C ATOM 638 OE1 GLU A 45 -18.132 -6.782 2.208 1.00 0.00 O ATOM 639 OE2 GLU A 45 -18.234 -6.683 4.431 1.00 0.00 O ATOM 0 H GLU A 45 -13.463 -4.536 2.968 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.584 -6.948 4.042 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.136 -5.126 1.717 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -15.851 -6.726 1.729 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.107 -5.405 4.348 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.826 -4.447 3.069 1.00 0.00 H new ATOM 646 N ASN A 46 -12.613 -7.070 1.430 1.00 0.00 N ATOM 647 CA ASN A 46 -11.845 -7.964 0.580 1.00 0.00 C ATOM 648 C ASN A 46 -10.808 -8.702 1.430 1.00 0.00 C ATOM 649 O ASN A 46 -10.209 -8.118 2.331 1.00 0.00 O ATOM 650 CB ASN A 46 -11.099 -7.186 -0.505 1.00 0.00 C ATOM 651 CG ASN A 46 -10.241 -8.122 -1.360 1.00 0.00 C ATOM 652 OD1 ASN A 46 -9.024 -8.130 -1.286 1.00 0.00 O ATOM 653 ND2 ASN A 46 -10.943 -8.907 -2.172 1.00 0.00 N ATOM 0 H ASN A 46 -12.416 -6.078 1.295 1.00 0.00 H new ATOM 0 HA ASN A 46 -12.538 -8.662 0.111 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -11.815 -6.662 -1.139 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.467 -6.427 -0.044 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -10.463 -9.568 -2.783 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -11.961 -8.849 -2.183 1.00 0.00 H new ATOM 660 N GLN A 47 -10.628 -9.976 1.112 1.00 0.00 N ATOM 661 CA GLN A 47 -9.675 -10.800 1.835 1.00 0.00 C ATOM 662 C GLN A 47 -8.305 -10.747 1.154 1.00 0.00 C ATOM 663 O GLN A 47 -7.287 -10.547 1.815 1.00 0.00 O ATOM 664 CB GLN A 47 -10.174 -12.242 1.951 1.00 0.00 C ATOM 665 CG GLN A 47 -9.272 -13.061 2.878 1.00 0.00 C ATOM 666 CD GLN A 47 -10.000 -13.419 4.175 1.00 0.00 C ATOM 667 OE1 GLN A 47 -11.217 -13.421 4.254 1.00 0.00 O ATOM 668 NE2 GLN A 47 -9.189 -13.721 5.185 1.00 0.00 N ATOM 0 H GLN A 47 -11.126 -10.457 0.363 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.573 -10.403 2.845 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -11.195 -12.248 2.333 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -10.200 -12.702 0.963 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -8.955 -13.972 2.371 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -8.370 -12.494 3.108 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -8.178 -13.700 5.051 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -9.578 -13.974 6.093 1.00 0.00 H new ATOM 677 N ALA A 48 -8.324 -10.931 -0.158 1.00 0.00 N ATOM 678 CA ALA A 48 -7.096 -10.906 -0.935 1.00 0.00 C ATOM 679 C ALA A 48 -6.192 -9.787 -0.416 1.00 0.00 C ATOM 680 O ALA A 48 -5.008 -10.006 -0.166 1.00 0.00 O ATOM 681 CB ALA A 48 -7.434 -10.743 -2.418 1.00 0.00 C ATOM 0 H ALA A 48 -9.170 -11.098 -0.703 1.00 0.00 H new ATOM 0 HA ALA A 48 -6.553 -11.845 -0.826 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.513 -10.724 -3.001 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -8.053 -11.579 -2.744 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.977 -9.810 -2.567 1.00 0.00 H new ATOM 687 N PHE A 49 -6.784 -8.611 -0.270 1.00 0.00 N ATOM 688 CA PHE A 49 -6.046 -7.456 0.214 1.00 0.00 C ATOM 689 C PHE A 49 -5.687 -7.616 1.693 1.00 0.00 C ATOM 690 O PHE A 49 -6.106 -6.815 2.527 1.00 0.00 O ATOM 691 CB PHE A 49 -6.961 -6.241 0.052 1.00 0.00 C ATOM 692 CG PHE A 49 -7.029 -5.699 -1.377 1.00 0.00 C ATOM 693 CD1 PHE A 49 -5.890 -5.309 -2.012 1.00 0.00 C ATOM 694 CD2 PHE A 49 -8.227 -5.607 -2.014 1.00 0.00 C ATOM 695 CE1 PHE A 49 -5.953 -4.807 -3.338 1.00 0.00 C ATOM 696 CE2 PHE A 49 -8.290 -5.104 -3.340 1.00 0.00 C ATOM 697 CZ PHE A 49 -7.152 -4.715 -3.975 1.00 0.00 C ATOM 0 H PHE A 49 -7.766 -8.433 -0.478 1.00 0.00 H new ATOM 0 HA PHE A 49 -5.118 -7.344 -0.348 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.966 -6.511 0.376 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -6.615 -5.448 0.714 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.938 -5.382 -1.507 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -9.131 -5.917 -1.511 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -5.049 -4.498 -3.842 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -9.242 -5.030 -3.845 1.00 0.00 H new ATOM 0 HZ PHE A 49 -7.200 -4.333 -4.984 1.00 0.00 H new ATOM 707 N SER A 50 -4.915 -8.655 1.972 1.00 0.00 N ATOM 708 CA SER A 50 -4.495 -8.930 3.336 1.00 0.00 C ATOM 709 C SER A 50 -3.113 -8.324 3.590 1.00 0.00 C ATOM 710 O SER A 50 -2.758 -8.036 4.732 1.00 0.00 O ATOM 711 CB SER A 50 -4.474 -10.435 3.613 1.00 0.00 C ATOM 712 OG SER A 50 -3.847 -11.163 2.561 1.00 0.00 O ATOM 0 H SER A 50 -4.569 -9.317 1.277 1.00 0.00 H new ATOM 0 HA SER A 50 -5.215 -8.473 4.015 1.00 0.00 H new ATOM 0 HB2 SER A 50 -3.947 -10.624 4.548 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.495 -10.794 3.744 1.00 0.00 H new ATOM 0 HG SER A 50 -3.852 -12.119 2.776 1.00 0.00 H new ATOM 718 N PHE A 51 -2.371 -8.149 2.507 1.00 0.00 N ATOM 719 CA PHE A 51 -1.036 -7.582 2.598 1.00 0.00 C ATOM 720 C PHE A 51 -1.088 -6.132 3.081 1.00 0.00 C ATOM 721 O PHE A 51 -0.062 -5.556 3.440 1.00 0.00 O ATOM 722 CB PHE A 51 -0.438 -7.617 1.190 1.00 0.00 C ATOM 723 CG PHE A 51 -1.082 -6.628 0.216 1.00 0.00 C ATOM 724 CD1 PHE A 51 -0.697 -5.324 0.218 1.00 0.00 C ATOM 725 CD2 PHE A 51 -2.038 -7.054 -0.652 1.00 0.00 C ATOM 726 CE1 PHE A 51 -1.295 -4.406 -0.686 1.00 0.00 C ATOM 727 CE2 PHE A 51 -2.636 -6.136 -1.556 1.00 0.00 C ATOM 728 CZ PHE A 51 -2.251 -4.832 -1.554 1.00 0.00 C ATOM 0 H PHE A 51 -2.669 -8.390 1.562 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.437 -8.152 3.309 1.00 0.00 H new ATOM 0 HB2 PHE A 51 0.629 -7.405 1.254 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -0.539 -8.625 0.788 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.063 -4.986 0.907 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.343 -8.090 -0.654 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.990 -3.370 -0.684 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.396 -6.474 -2.245 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.705 -4.134 -2.242 1.00 0.00 H new ATOM 738 N LEU A 52 -2.294 -5.582 3.075 1.00 0.00 N ATOM 739 CA LEU A 52 -2.492 -4.210 3.508 1.00 0.00 C ATOM 740 C LEU A 52 -2.496 -4.158 5.037 1.00 0.00 C ATOM 741 O LEU A 52 -1.988 -3.207 5.631 1.00 0.00 O ATOM 742 CB LEU A 52 -3.754 -3.624 2.870 1.00 0.00 C ATOM 743 CG LEU A 52 -3.645 -3.249 1.391 1.00 0.00 C ATOM 744 CD1 LEU A 52 -5.030 -3.060 0.770 1.00 0.00 C ATOM 745 CD2 LEU A 52 -2.759 -2.016 1.202 1.00 0.00 C ATOM 0 H LEU A 52 -3.143 -6.062 2.777 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.669 -3.581 3.169 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.563 -4.346 2.983 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.041 -2.734 3.430 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.166 -4.074 0.864 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.924 -2.794 -0.282 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.596 -3.988 0.854 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -5.558 -2.264 1.294 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.698 -1.771 0.142 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.187 -1.174 1.745 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.760 -2.224 1.584 1.00 0.00 H new ATOM 757 N TYR A 53 -3.074 -5.191 5.632 1.00 0.00 N ATOM 758 CA TYR A 53 -3.149 -5.275 7.080 1.00 0.00 C ATOM 759 C TYR A 53 -1.943 -6.024 7.650 1.00 0.00 C ATOM 760 O TYR A 53 -1.163 -5.459 8.416 1.00 0.00 O ATOM 761 CB TYR A 53 -4.420 -6.069 7.391 1.00 0.00 C ATOM 762 CG TYR A 53 -5.579 -5.788 6.433 1.00 0.00 C ATOM 763 CD1 TYR A 53 -5.957 -4.487 6.170 1.00 0.00 C ATOM 764 CD2 TYR A 53 -6.246 -6.835 5.830 1.00 0.00 C ATOM 765 CE1 TYR A 53 -7.048 -4.222 5.268 1.00 0.00 C ATOM 766 CE2 TYR A 53 -7.337 -6.571 4.929 1.00 0.00 C ATOM 767 CZ TYR A 53 -7.684 -5.277 4.692 1.00 0.00 C ATOM 768 OH TYR A 53 -8.715 -5.027 3.840 1.00 0.00 O ATOM 0 H TYR A 53 -3.495 -5.977 5.137 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.159 -4.278 7.522 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -4.187 -7.134 7.361 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -4.739 -5.841 8.408 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -5.434 -3.667 6.641 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -5.949 -7.853 6.034 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -7.354 -3.209 5.054 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -7.868 -7.382 4.452 1.00 0.00 H new ATOM 0 HH TYR A 53 -9.145 -5.871 3.591 1.00 0.00 H new ATOM 778 N ASP A 54 -1.827 -7.283 7.255 1.00 0.00 N ATOM 779 CA ASP A 54 -0.729 -8.114 7.717 1.00 0.00 C ATOM 780 C ASP A 54 0.599 -7.439 7.366 1.00 0.00 C ATOM 781 O ASP A 54 0.974 -7.368 6.197 1.00 0.00 O ATOM 782 CB ASP A 54 -0.754 -9.486 7.040 1.00 0.00 C ATOM 783 CG ASP A 54 -1.466 -10.585 7.832 1.00 0.00 C ATOM 784 OD1 ASP A 54 -1.140 -10.723 9.030 1.00 0.00 O ATOM 785 OD2 ASP A 54 -2.321 -11.261 7.221 1.00 0.00 O ATOM 0 H ASP A 54 -2.476 -7.748 6.620 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.833 -8.241 8.795 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.239 -9.387 6.069 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.273 -9.801 6.853 1.00 0.00 H new ATOM 790 N PRO A 55 1.291 -6.947 8.429 1.00 0.00 N ATOM 791 CA PRO A 55 2.569 -6.280 8.245 1.00 0.00 C ATOM 792 C PRO A 55 3.678 -7.291 7.946 1.00 0.00 C ATOM 793 O PRO A 55 4.427 -7.130 6.984 1.00 0.00 O ATOM 794 CB PRO A 55 2.799 -5.510 9.535 1.00 0.00 C ATOM 795 CG PRO A 55 1.878 -6.139 10.567 1.00 0.00 C ATOM 796 CD PRO A 55 0.878 -7.013 9.827 1.00 0.00 C ATOM 0 HA PRO A 55 2.573 -5.606 7.388 1.00 0.00 H new ATOM 0 HB2 PRO A 55 3.841 -5.577 9.849 1.00 0.00 H new ATOM 0 HB3 PRO A 55 2.573 -4.452 9.404 1.00 0.00 H new ATOM 0 HG2 PRO A 55 2.451 -6.733 11.279 1.00 0.00 H new ATOM 0 HG3 PRO A 55 1.362 -5.368 11.139 1.00 0.00 H new ATOM 0 HD2 PRO A 55 0.898 -8.038 10.198 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -0.140 -6.646 9.957 1.00 0.00 H new ATOM 804 N ASN A 56 3.747 -8.311 8.789 1.00 0.00 N ATOM 805 CA ASN A 56 4.752 -9.348 8.627 1.00 0.00 C ATOM 806 C ASN A 56 4.873 -9.709 7.145 1.00 0.00 C ATOM 807 O ASN A 56 5.944 -10.099 6.683 1.00 0.00 O ATOM 808 CB ASN A 56 4.363 -10.615 9.392 1.00 0.00 C ATOM 809 CG ASN A 56 5.437 -10.990 10.415 1.00 0.00 C ATOM 810 OD1 ASN A 56 6.499 -11.491 10.084 1.00 0.00 O ATOM 811 ND2 ASN A 56 5.103 -10.720 11.673 1.00 0.00 N ATOM 0 H ASN A 56 3.124 -8.441 9.586 1.00 0.00 H new ATOM 0 HA ASN A 56 5.696 -8.967 9.016 1.00 0.00 H new ATOM 0 HB2 ASN A 56 3.411 -10.460 9.899 1.00 0.00 H new ATOM 0 HB3 ASN A 56 4.220 -11.438 8.691 1.00 0.00 H new ATOM 0 HD21 ASN A 56 5.753 -10.933 12.430 1.00 0.00 H new ATOM 0 HD22 ASN A 56 4.197 -10.300 11.881 1.00 0.00 H new ATOM 818 N SER A 57 3.760 -9.565 6.441 1.00 0.00 N ATOM 819 CA SER A 57 3.727 -9.870 5.021 1.00 0.00 C ATOM 820 C SER A 57 4.493 -8.801 4.239 1.00 0.00 C ATOM 821 O SER A 57 4.051 -7.656 4.150 1.00 0.00 O ATOM 822 CB SER A 57 2.288 -9.972 4.512 1.00 0.00 C ATOM 823 OG SER A 57 2.002 -11.261 3.975 1.00 0.00 O ATOM 0 H SER A 57 2.874 -9.241 6.828 1.00 0.00 H new ATOM 0 HA SER A 57 4.206 -10.837 4.868 1.00 0.00 H new ATOM 0 HB2 SER A 57 1.599 -9.758 5.329 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.120 -9.215 3.746 1.00 0.00 H new ATOM 0 HG SER A 57 1.074 -11.286 3.662 1.00 0.00 H new ATOM 829 N GLN A 58 5.627 -9.212 3.691 1.00 0.00 N ATOM 830 CA GLN A 58 6.457 -8.304 2.919 1.00 0.00 C ATOM 831 C GLN A 58 5.593 -7.472 1.968 1.00 0.00 C ATOM 832 O GLN A 58 5.964 -6.358 1.601 1.00 0.00 O ATOM 833 CB GLN A 58 7.538 -9.067 2.151 1.00 0.00 C ATOM 834 CG GLN A 58 8.831 -9.155 2.965 1.00 0.00 C ATOM 835 CD GLN A 58 9.147 -10.606 3.335 1.00 0.00 C ATOM 836 OE1 GLN A 58 8.368 -11.295 3.972 1.00 0.00 O ATOM 837 NE2 GLN A 58 10.332 -11.028 2.903 1.00 0.00 N ATOM 0 H GLN A 58 5.990 -10.162 3.767 1.00 0.00 H new ATOM 0 HA GLN A 58 6.958 -7.626 3.610 1.00 0.00 H new ATOM 0 HB2 GLN A 58 7.183 -10.070 1.917 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.735 -8.569 1.202 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.656 -8.734 2.390 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.736 -8.557 3.871 1.00 0.00 H new ATOM 0 HE21 GLN A 58 10.936 -10.398 2.374 1.00 0.00 H new ATOM 0 HE22 GLN A 58 10.637 -11.981 3.100 1.00 0.00 H new ATOM 846 N GLY A 59 4.458 -8.045 1.598 1.00 0.00 N ATOM 847 CA GLY A 59 3.538 -7.371 0.698 1.00 0.00 C ATOM 848 C GLY A 59 3.168 -5.985 1.229 1.00 0.00 C ATOM 849 O GLY A 59 3.054 -5.031 0.460 1.00 0.00 O ATOM 0 H GLY A 59 4.154 -8.969 1.905 1.00 0.00 H new ATOM 0 HA2 GLY A 59 3.992 -7.277 -0.288 1.00 0.00 H new ATOM 0 HA3 GLY A 59 2.636 -7.971 0.578 1.00 0.00 H new ATOM 853 N TYR A 60 2.990 -5.917 2.540 1.00 0.00 N ATOM 854 CA TYR A 60 2.636 -4.663 3.183 1.00 0.00 C ATOM 855 C TYR A 60 3.717 -3.605 2.956 1.00 0.00 C ATOM 856 O TYR A 60 3.409 -2.432 2.752 1.00 0.00 O ATOM 857 CB TYR A 60 2.544 -4.968 4.680 1.00 0.00 C ATOM 858 CG TYR A 60 2.227 -3.747 5.545 1.00 0.00 C ATOM 859 CD1 TYR A 60 1.006 -3.114 5.425 1.00 0.00 C ATOM 860 CD2 TYR A 60 3.161 -3.278 6.446 1.00 0.00 C ATOM 861 CE1 TYR A 60 0.707 -1.964 6.239 1.00 0.00 C ATOM 862 CE2 TYR A 60 2.862 -2.129 7.261 1.00 0.00 C ATOM 863 CZ TYR A 60 1.650 -1.529 7.117 1.00 0.00 C ATOM 864 OH TYR A 60 1.368 -0.443 7.887 1.00 0.00 O ATOM 0 H TYR A 60 3.084 -6.710 3.175 1.00 0.00 H new ATOM 0 HA TYR A 60 1.702 -4.274 2.777 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.775 -5.723 4.840 1.00 0.00 H new ATOM 0 HB3 TYR A 60 3.488 -5.400 5.011 1.00 0.00 H new ATOM 0 HD1 TYR A 60 0.275 -3.481 4.720 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.116 -3.773 6.540 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -0.244 -1.459 6.154 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.584 -1.752 7.971 1.00 0.00 H new ATOM 0 HH TYR A 60 2.132 -0.246 8.468 1.00 0.00 H new ATOM 874 N ARG A 61 4.961 -4.058 2.999 1.00 0.00 N ATOM 875 CA ARG A 61 6.090 -3.165 2.800 1.00 0.00 C ATOM 876 C ARG A 61 6.181 -2.743 1.332 1.00 0.00 C ATOM 877 O ARG A 61 6.039 -1.564 1.011 1.00 0.00 O ATOM 878 CB ARG A 61 7.402 -3.834 3.214 1.00 0.00 C ATOM 879 CG ARG A 61 7.401 -4.166 4.707 1.00 0.00 C ATOM 880 CD ARG A 61 8.420 -5.262 5.026 1.00 0.00 C ATOM 881 NE ARG A 61 8.218 -5.755 6.407 1.00 0.00 N ATOM 882 CZ ARG A 61 9.099 -6.517 7.069 1.00 0.00 C ATOM 883 NH1 ARG A 61 10.248 -6.878 6.480 1.00 0.00 N ATOM 884 NH2 ARG A 61 8.832 -6.918 8.319 1.00 0.00 N ATOM 0 H ARG A 61 5.212 -5.032 3.169 1.00 0.00 H new ATOM 0 HA ARG A 61 5.931 -2.286 3.425 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.548 -4.746 2.635 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.239 -3.174 2.985 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.633 -3.270 5.283 1.00 0.00 H new ATOM 0 HG3 ARG A 61 6.406 -4.491 5.010 1.00 0.00 H new ATOM 0 HD2 ARG A 61 8.315 -6.085 4.319 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.432 -4.873 4.914 1.00 0.00 H new ATOM 0 HE ARG A 61 7.354 -5.499 6.885 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.451 -6.573 5.528 1.00 0.00 H new ATOM 0 HH12 ARG A 61 10.919 -7.458 6.984 1.00 0.00 H new ATOM 0 HH21 ARG A 61 7.958 -6.643 8.767 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.503 -7.498 8.823 1.00 0.00 H new ATOM 898 N TYR A 62 6.417 -3.730 0.480 1.00 0.00 N ATOM 899 CA TYR A 62 6.529 -3.476 -0.946 1.00 0.00 C ATOM 900 C TYR A 62 5.387 -2.582 -1.435 1.00 0.00 C ATOM 901 O TYR A 62 5.562 -1.801 -2.369 1.00 0.00 O ATOM 902 CB TYR A 62 6.419 -4.841 -1.628 1.00 0.00 C ATOM 903 CG TYR A 62 6.006 -4.771 -3.099 1.00 0.00 C ATOM 904 CD1 TYR A 62 4.727 -4.380 -3.439 1.00 0.00 C ATOM 905 CD2 TYR A 62 6.913 -5.099 -4.087 1.00 0.00 C ATOM 906 CE1 TYR A 62 4.338 -4.314 -4.824 1.00 0.00 C ATOM 907 CE2 TYR A 62 6.524 -5.033 -5.472 1.00 0.00 C ATOM 908 CZ TYR A 62 5.256 -4.644 -5.772 1.00 0.00 C ATOM 909 OH TYR A 62 4.889 -4.582 -7.080 1.00 0.00 O ATOM 0 H TYR A 62 6.534 -4.707 0.750 1.00 0.00 H new ATOM 0 HA TYR A 62 7.467 -2.970 -1.173 1.00 0.00 H new ATOM 0 HB2 TYR A 62 7.380 -5.350 -1.555 1.00 0.00 H new ATOM 0 HB3 TYR A 62 5.694 -5.449 -1.086 1.00 0.00 H new ATOM 0 HD1 TYR A 62 4.018 -4.123 -2.666 1.00 0.00 H new ATOM 0 HD2 TYR A 62 7.914 -5.405 -3.821 1.00 0.00 H new ATOM 0 HE1 TYR A 62 3.340 -4.009 -5.104 1.00 0.00 H new ATOM 0 HE2 TYR A 62 7.224 -5.287 -6.255 1.00 0.00 H new ATOM 0 HH TYR A 62 3.933 -4.783 -7.161 1.00 0.00 H new ATOM 919 N TYR A 63 4.244 -2.727 -0.782 1.00 0.00 N ATOM 920 CA TYR A 63 3.074 -1.943 -1.139 1.00 0.00 C ATOM 921 C TYR A 63 3.278 -0.466 -0.795 1.00 0.00 C ATOM 922 O TYR A 63 3.218 0.394 -1.672 1.00 0.00 O ATOM 923 CB TYR A 63 1.922 -2.496 -0.297 1.00 0.00 C ATOM 924 CG TYR A 63 0.782 -1.502 -0.072 1.00 0.00 C ATOM 925 CD1 TYR A 63 -0.100 -1.220 -1.095 1.00 0.00 C ATOM 926 CD2 TYR A 63 0.635 -0.886 1.155 1.00 0.00 C ATOM 927 CE1 TYR A 63 -1.173 -0.284 -0.883 1.00 0.00 C ATOM 928 CE2 TYR A 63 -0.438 0.050 1.367 1.00 0.00 C ATOM 929 CZ TYR A 63 -1.290 0.305 0.337 1.00 0.00 C ATOM 930 OH TYR A 63 -2.303 1.189 0.537 1.00 0.00 O ATOM 0 H TYR A 63 4.103 -3.376 -0.008 1.00 0.00 H new ATOM 0 HA TYR A 63 2.879 -2.010 -2.209 1.00 0.00 H new ATOM 0 HB2 TYR A 63 1.524 -3.386 -0.785 1.00 0.00 H new ATOM 0 HB3 TYR A 63 2.312 -2.811 0.671 1.00 0.00 H new ATOM 0 HD1 TYR A 63 0.015 -1.702 -2.055 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.325 -1.106 1.956 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -1.870 -0.055 -1.676 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -0.564 0.539 2.322 1.00 0.00 H new ATOM 0 HH TYR A 63 -2.263 1.530 1.455 1.00 0.00 H new ATOM 940 N ARG A 64 3.514 -0.217 0.485 1.00 0.00 N ATOM 941 CA ARG A 64 3.728 1.141 0.956 1.00 0.00 C ATOM 942 C ARG A 64 4.768 1.848 0.085 1.00 0.00 C ATOM 943 O ARG A 64 4.532 2.955 -0.394 1.00 0.00 O ATOM 944 CB ARG A 64 4.199 1.151 2.412 1.00 0.00 C ATOM 945 CG ARG A 64 3.010 1.212 3.373 1.00 0.00 C ATOM 946 CD ARG A 64 2.967 2.553 4.108 1.00 0.00 C ATOM 947 NE ARG A 64 4.226 2.760 4.857 1.00 0.00 N ATOM 948 CZ ARG A 64 4.396 3.702 5.796 1.00 0.00 C ATOM 949 NH1 ARG A 64 3.388 4.528 6.105 1.00 0.00 N ATOM 950 NH2 ARG A 64 5.574 3.816 6.425 1.00 0.00 N ATOM 0 H ARG A 64 3.562 -0.933 1.210 1.00 0.00 H new ATOM 0 HA ARG A 64 2.776 1.668 0.890 1.00 0.00 H new ATOM 0 HB2 ARG A 64 4.788 0.256 2.613 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.852 2.007 2.581 1.00 0.00 H new ATOM 0 HG2 ARG A 64 2.082 1.067 2.819 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.080 0.399 4.096 1.00 0.00 H new ATOM 0 HD2 ARG A 64 2.821 3.364 3.394 1.00 0.00 H new ATOM 0 HD3 ARG A 64 2.119 2.575 4.793 1.00 0.00 H new ATOM 0 HE ARG A 64 5.014 2.148 4.646 1.00 0.00 H new ATOM 0 HH11 ARG A 64 2.492 4.440 5.626 1.00 0.00 H new ATOM 0 HH12 ARG A 64 3.517 5.245 6.819 1.00 0.00 H new ATOM 0 HH21 ARG A 64 6.341 3.186 6.189 1.00 0.00 H new ATOM 0 HH22 ARG A 64 5.703 4.533 7.139 1.00 0.00 H new ATOM 964 N GLN A 65 5.897 1.178 -0.093 1.00 0.00 N ATOM 965 CA GLN A 65 6.975 1.728 -0.898 1.00 0.00 C ATOM 966 C GLN A 65 6.415 2.357 -2.176 1.00 0.00 C ATOM 967 O GLN A 65 6.545 3.562 -2.387 1.00 0.00 O ATOM 968 CB GLN A 65 8.017 0.656 -1.226 1.00 0.00 C ATOM 969 CG GLN A 65 9.370 1.290 -1.552 1.00 0.00 C ATOM 970 CD GLN A 65 9.681 1.182 -3.046 1.00 0.00 C ATOM 971 OE1 GLN A 65 9.284 2.009 -3.850 1.00 0.00 O ATOM 972 NE2 GLN A 65 10.410 0.118 -3.372 1.00 0.00 N ATOM 0 H GLN A 65 6.089 0.259 0.306 1.00 0.00 H new ATOM 0 HA GLN A 65 7.473 2.507 -0.320 1.00 0.00 H new ATOM 0 HB2 GLN A 65 8.124 -0.023 -0.380 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.677 0.060 -2.073 1.00 0.00 H new ATOM 0 HG2 GLN A 65 9.366 2.338 -1.253 1.00 0.00 H new ATOM 0 HG3 GLN A 65 10.154 0.797 -0.977 1.00 0.00 H new ATOM 0 HE21 GLN A 65 10.710 -0.536 -2.649 1.00 0.00 H new ATOM 0 HE22 GLN A 65 10.669 -0.044 -4.345 1.00 0.00 H new ATOM 981 N LYS A 66 5.804 1.513 -2.994 1.00 0.00 N ATOM 982 CA LYS A 66 5.224 1.971 -4.245 1.00 0.00 C ATOM 983 C LYS A 66 4.430 3.255 -3.994 1.00 0.00 C ATOM 984 O LYS A 66 4.535 4.214 -4.758 1.00 0.00 O ATOM 985 CB LYS A 66 4.401 0.857 -4.894 1.00 0.00 C ATOM 986 CG LYS A 66 5.304 -0.134 -5.631 1.00 0.00 C ATOM 987 CD LYS A 66 5.829 0.468 -6.936 1.00 0.00 C ATOM 988 CE LYS A 66 6.772 -0.504 -7.648 1.00 0.00 C ATOM 989 NZ LYS A 66 8.177 -0.065 -7.500 1.00 0.00 N ATOM 0 H LYS A 66 5.698 0.514 -2.815 1.00 0.00 H new ATOM 0 HA LYS A 66 6.008 2.215 -4.961 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.827 0.333 -4.130 1.00 0.00 H new ATOM 0 HB3 LYS A 66 3.684 1.289 -5.592 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.142 -0.413 -4.992 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.749 -1.047 -5.845 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.992 0.713 -7.590 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.353 1.400 -6.726 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.652 -1.505 -7.234 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.513 -0.563 -8.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.804 -0.736 -7.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.291 0.881 -7.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.426 -0.032 -6.491 1.00 0.00 H new ATOM 1003 N LEU A 67 3.653 3.233 -2.921 1.00 0.00 N ATOM 1004 CA LEU A 67 2.842 4.383 -2.560 1.00 0.00 C ATOM 1005 C LEU A 67 3.700 5.648 -2.628 1.00 0.00 C ATOM 1006 O LEU A 67 3.446 6.531 -3.446 1.00 0.00 O ATOM 1007 CB LEU A 67 2.178 4.164 -1.199 1.00 0.00 C ATOM 1008 CG LEU A 67 0.823 4.846 -0.997 1.00 0.00 C ATOM 1009 CD1 LEU A 67 -0.145 4.489 -2.127 1.00 0.00 C ATOM 1010 CD2 LEU A 67 0.243 4.516 0.380 1.00 0.00 C ATOM 0 H LEU A 67 3.568 2.436 -2.290 1.00 0.00 H new ATOM 0 HA LEU A 67 2.026 4.512 -3.271 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.049 3.092 -1.048 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.859 4.516 -0.424 1.00 0.00 H new ATOM 0 HG LEU A 67 0.975 5.925 -1.032 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.100 4.987 -1.959 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.272 4.816 -3.080 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.297 3.410 -2.148 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.720 5.013 0.498 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.108 3.438 0.469 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.927 4.862 1.155 1.00 0.00 H new ATOM 1022 N ASP A 68 4.699 5.695 -1.759 1.00 0.00 N ATOM 1023 CA ASP A 68 5.595 6.838 -1.710 1.00 0.00 C ATOM 1024 C ASP A 68 6.198 7.067 -3.098 1.00 0.00 C ATOM 1025 O ASP A 68 6.349 8.208 -3.532 1.00 0.00 O ATOM 1026 CB ASP A 68 6.745 6.595 -0.730 1.00 0.00 C ATOM 1027 CG ASP A 68 7.363 7.860 -0.132 1.00 0.00 C ATOM 1028 OD1 ASP A 68 6.897 8.955 -0.515 1.00 0.00 O ATOM 1029 OD2 ASP A 68 8.288 7.704 0.694 1.00 0.00 O ATOM 0 H ASP A 68 4.908 4.960 -1.083 1.00 0.00 H new ATOM 0 HA ASP A 68 5.019 7.704 -1.383 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.383 5.966 0.083 1.00 0.00 H new ATOM 0 HB3 ASP A 68 7.527 6.034 -1.242 1.00 0.00 H new ATOM 1034 N GLU A 69 6.525 5.964 -3.755 1.00 0.00 N ATOM 1035 CA GLU A 69 7.108 6.030 -5.085 1.00 0.00 C ATOM 1036 C GLU A 69 6.287 6.962 -5.978 1.00 0.00 C ATOM 1037 O GLU A 69 6.808 7.948 -6.497 1.00 0.00 O ATOM 1038 CB GLU A 69 7.220 4.636 -5.704 1.00 0.00 C ATOM 1039 CG GLU A 69 8.516 4.495 -6.506 1.00 0.00 C ATOM 1040 CD GLU A 69 8.528 5.451 -7.701 1.00 0.00 C ATOM 1041 OE1 GLU A 69 7.440 5.642 -8.286 1.00 0.00 O ATOM 1042 OE2 GLU A 69 9.625 5.969 -8.001 1.00 0.00 O ATOM 0 H GLU A 69 6.397 5.020 -3.392 1.00 0.00 H new ATOM 0 HA GLU A 69 8.116 6.435 -4.999 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.191 3.882 -4.918 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.364 4.453 -6.354 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.371 4.701 -5.862 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.621 3.468 -6.856 1.00 0.00 H new ATOM 1049 N PHE A 70 5.017 6.618 -6.130 1.00 0.00 N ATOM 1050 CA PHE A 70 4.119 7.411 -6.951 1.00 0.00 C ATOM 1051 C PHE A 70 3.864 8.781 -6.319 1.00 0.00 C ATOM 1052 O PHE A 70 4.021 9.810 -6.974 1.00 0.00 O ATOM 1053 CB PHE A 70 2.796 6.647 -7.035 1.00 0.00 C ATOM 1054 CG PHE A 70 2.950 5.178 -7.434 1.00 0.00 C ATOM 1055 CD1 PHE A 70 3.989 4.793 -8.222 1.00 0.00 C ATOM 1056 CD2 PHE A 70 2.048 4.257 -7.000 1.00 0.00 C ATOM 1057 CE1 PHE A 70 4.132 3.429 -8.592 1.00 0.00 C ATOM 1058 CE2 PHE A 70 2.191 2.894 -7.370 1.00 0.00 C ATOM 1059 CZ PHE A 70 3.230 2.509 -8.158 1.00 0.00 C ATOM 0 H PHE A 70 4.588 5.800 -5.698 1.00 0.00 H new ATOM 0 HA PHE A 70 4.559 7.571 -7.935 1.00 0.00 H new ATOM 0 HB2 PHE A 70 2.296 6.700 -6.068 1.00 0.00 H new ATOM 0 HB3 PHE A 70 2.147 7.143 -7.757 1.00 0.00 H new ATOM 0 HD1 PHE A 70 4.705 5.524 -8.567 1.00 0.00 H new ATOM 0 HD2 PHE A 70 1.223 4.563 -6.374 1.00 0.00 H new ATOM 0 HE1 PHE A 70 4.957 3.123 -9.218 1.00 0.00 H new ATOM 0 HE2 PHE A 70 1.475 2.163 -7.026 1.00 0.00 H new ATOM 0 HZ PHE A 70 3.339 1.472 -8.439 1.00 0.00 H new ATOM 1069 N ARG A 71 3.474 8.749 -5.053 1.00 0.00 N ATOM 1070 CA ARG A 71 3.195 9.976 -4.325 1.00 0.00 C ATOM 1071 C ARG A 71 4.238 11.043 -4.664 1.00 0.00 C ATOM 1072 O ARG A 71 3.896 12.114 -5.161 1.00 0.00 O ATOM 1073 CB ARG A 71 3.198 9.732 -2.815 1.00 0.00 C ATOM 1074 CG ARG A 71 1.812 9.306 -2.326 1.00 0.00 C ATOM 1075 CD ARG A 71 1.898 8.619 -0.962 1.00 0.00 C ATOM 1076 NE ARG A 71 0.607 8.742 -0.250 1.00 0.00 N ATOM 1077 CZ ARG A 71 0.232 9.825 0.445 1.00 0.00 C ATOM 1078 NH1 ARG A 71 1.048 10.885 0.525 1.00 0.00 N ATOM 1079 NH2 ARG A 71 -0.959 9.848 1.059 1.00 0.00 N ATOM 0 H ARG A 71 3.345 7.893 -4.513 1.00 0.00 H new ATOM 0 HA ARG A 71 2.206 10.322 -4.624 1.00 0.00 H new ATOM 0 HB2 ARG A 71 3.927 8.960 -2.569 1.00 0.00 H new ATOM 0 HB3 ARG A 71 3.507 10.640 -2.297 1.00 0.00 H new ATOM 0 HG2 ARG A 71 1.163 10.179 -2.257 1.00 0.00 H new ATOM 0 HG3 ARG A 71 1.359 8.629 -3.050 1.00 0.00 H new ATOM 0 HD2 ARG A 71 2.152 7.567 -1.091 1.00 0.00 H new ATOM 0 HD3 ARG A 71 2.694 9.069 -0.369 1.00 0.00 H new ATOM 0 HE ARG A 71 -0.038 7.953 -0.291 1.00 0.00 H new ATOM 0 HH11 ARG A 71 1.954 10.867 0.057 1.00 0.00 H new ATOM 0 HH12 ARG A 71 0.763 11.709 1.054 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -1.580 9.041 0.997 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -1.244 10.672 1.588 1.00 0.00 H new ATOM 1093 N LYS A 72 5.490 10.712 -4.382 1.00 0.00 N ATOM 1094 CA LYS A 72 6.585 11.629 -4.650 1.00 0.00 C ATOM 1095 C LYS A 72 6.328 12.950 -3.923 1.00 0.00 C ATOM 1096 O LYS A 72 5.489 13.744 -4.348 1.00 0.00 O ATOM 1097 CB LYS A 72 6.794 11.787 -6.158 1.00 0.00 C ATOM 1098 CG LYS A 72 7.779 10.743 -6.687 1.00 0.00 C ATOM 1099 CD LYS A 72 9.193 11.320 -6.777 1.00 0.00 C ATOM 1100 CE LYS A 72 9.646 11.437 -8.234 1.00 0.00 C ATOM 1101 NZ LYS A 72 10.606 10.361 -8.566 1.00 0.00 N ATOM 0 H LYS A 72 5.770 9.822 -3.971 1.00 0.00 H new ATOM 0 HA LYS A 72 7.521 11.228 -4.262 1.00 0.00 H new ATOM 0 HB2 LYS A 72 5.839 11.686 -6.674 1.00 0.00 H new ATOM 0 HB3 LYS A 72 7.168 12.788 -6.374 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.779 9.872 -6.031 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.458 10.401 -7.671 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.220 12.302 -6.304 1.00 0.00 H new ATOM 0 HD3 LYS A 72 9.885 10.682 -6.227 1.00 0.00 H new ATOM 0 HE2 LYS A 72 8.782 11.378 -8.896 1.00 0.00 H new ATOM 0 HE3 LYS A 72 10.109 12.410 -8.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 10.903 10.455 -9.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 11.438 10.435 -7.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 10.152 9.436 -8.427 1.00 0.00 H new ATOM 1115 N SER A 73 7.066 13.146 -2.840 1.00 0.00 N ATOM 1116 CA SER A 73 6.928 14.358 -2.050 1.00 0.00 C ATOM 1117 C SER A 73 8.304 14.979 -1.802 1.00 0.00 C ATOM 1118 O SER A 73 8.892 14.790 -0.738 1.00 0.00 O ATOM 1119 CB SER A 73 6.227 14.072 -0.721 1.00 0.00 C ATOM 1120 OG SER A 73 4.968 14.733 -0.629 1.00 0.00 O ATOM 0 H SER A 73 7.761 12.486 -2.491 1.00 0.00 H new ATOM 0 HA SER A 73 6.313 15.063 -2.609 1.00 0.00 H new ATOM 0 HB2 SER A 73 6.081 12.997 -0.612 1.00 0.00 H new ATOM 0 HB3 SER A 73 6.866 14.392 0.102 1.00 0.00 H new ATOM 0 HG SER A 73 4.551 14.524 0.233 1.00 0.00 H new ATOM 1126 N GLY A 74 8.778 15.709 -2.801 1.00 0.00 N ATOM 1127 CA GLY A 74 10.074 16.359 -2.705 1.00 0.00 C ATOM 1128 C GLY A 74 11.166 15.503 -3.349 1.00 0.00 C ATOM 1129 O GLY A 74 11.024 14.286 -3.457 1.00 0.00 O ATOM 0 H GLY A 74 8.287 15.865 -3.682 1.00 0.00 H new ATOM 0 HA2 GLY A 74 10.034 17.332 -3.194 1.00 0.00 H new ATOM 0 HA3 GLY A 74 10.318 16.539 -1.658 1.00 0.00 H new ATOM 1133 N PRO A 75 12.261 16.191 -3.772 1.00 0.00 N ATOM 1134 CA PRO A 75 13.377 15.508 -4.403 1.00 0.00 C ATOM 1135 C PRO A 75 14.211 14.749 -3.369 1.00 0.00 C ATOM 1136 O PRO A 75 15.067 15.334 -2.707 1.00 0.00 O ATOM 1137 CB PRO A 75 14.160 16.602 -5.110 1.00 0.00 C ATOM 1138 CG PRO A 75 13.722 17.909 -4.468 1.00 0.00 C ATOM 1139 CD PRO A 75 12.464 17.633 -3.661 1.00 0.00 C ATOM 0 HA PRO A 75 13.056 14.745 -5.112 1.00 0.00 H new ATOM 0 HB2 PRO A 75 15.233 16.451 -4.995 1.00 0.00 H new ATOM 0 HB3 PRO A 75 13.951 16.603 -6.180 1.00 0.00 H new ATOM 0 HG2 PRO A 75 14.510 18.301 -3.825 1.00 0.00 H new ATOM 0 HG3 PRO A 75 13.528 18.663 -5.231 1.00 0.00 H new ATOM 0 HD2 PRO A 75 12.586 17.937 -2.621 1.00 0.00 H new ATOM 0 HD3 PRO A 75 11.611 18.185 -4.056 1.00 0.00 H new ATOM 1147 N SER A 76 13.932 13.458 -3.263 1.00 0.00 N ATOM 1148 CA SER A 76 14.645 12.613 -2.320 1.00 0.00 C ATOM 1149 C SER A 76 14.180 12.912 -0.894 1.00 0.00 C ATOM 1150 O SER A 76 13.600 12.051 -0.234 1.00 0.00 O ATOM 1151 CB SER A 76 16.158 12.812 -2.438 1.00 0.00 C ATOM 1152 OG SER A 76 16.864 11.576 -2.391 1.00 0.00 O ATOM 0 H SER A 76 13.222 12.977 -3.815 1.00 0.00 H new ATOM 0 HA SER A 76 14.423 11.573 -2.557 1.00 0.00 H new ATOM 0 HB2 SER A 76 16.384 13.324 -3.373 1.00 0.00 H new ATOM 0 HB3 SER A 76 16.503 13.457 -1.630 1.00 0.00 H new ATOM 0 HG SER A 76 17.826 11.745 -2.471 1.00 0.00 H new ATOM 1158 N SER A 77 14.452 14.134 -0.460 1.00 0.00 N ATOM 1159 CA SER A 77 14.069 14.556 0.876 1.00 0.00 C ATOM 1160 C SER A 77 13.020 15.667 0.793 1.00 0.00 C ATOM 1161 O SER A 77 11.861 15.458 1.148 1.00 0.00 O ATOM 1162 CB SER A 77 15.285 15.033 1.673 1.00 0.00 C ATOM 1163 OG SER A 77 15.136 14.791 3.070 1.00 0.00 O ATOM 0 H SER A 77 14.933 14.845 -1.010 1.00 0.00 H new ATOM 0 HA SER A 77 13.641 13.699 1.396 1.00 0.00 H new ATOM 0 HB2 SER A 77 16.178 14.525 1.310 1.00 0.00 H new ATOM 0 HB3 SER A 77 15.434 16.099 1.504 1.00 0.00 H new ATOM 0 HG SER A 77 15.933 15.108 3.544 1.00 0.00 H new ATOM 1169 N GLY A 78 13.464 16.822 0.322 1.00 0.00 N ATOM 1170 CA GLY A 78 12.578 17.966 0.187 1.00 0.00 C ATOM 1171 C GLY A 78 13.374 19.253 -0.035 1.00 0.00 C ATOM 1172 O GLY A 78 14.435 19.232 -0.658 1.00 0.00 O ATOM 0 H GLY A 78 14.426 16.991 0.029 1.00 0.00 H new ATOM 0 HA2 GLY A 78 11.897 17.806 -0.649 1.00 0.00 H new ATOM 0 HA3 GLY A 78 11.965 18.063 1.083 1.00 0.00 H new TER 1176 GLY A 78