USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=15 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= -2.07 K(o=-2.1,f=-7.2!) USER MOD Set 2.1: A 43 ASN : amide:sc= -2.69! C(o=-2.9!,f=-4.2!) USER MOD Set 2.2: A 46 ASN : amide:sc= -0.192 K(o=-2.9,f=-3.7) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 22:sc= 1.35 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= -0.148 K(o=-0.15,f=-1.5!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 106:sc= 1.27 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= -0.0117 X(o=-0.012,f=-0.02) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 157:sc= -2.39! USER MOD Single : A 56 ASN : amide:sc= -0.283 K(o=-0.28,f=-1.3) 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 -80:sc= 1.28 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc=-0.00651 X(o=-0.0065,f=-0.088) 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 7.549 13.826 7.168 1.00 0.00 N ATOM 2 CA GLY A 1 6.400 12.956 6.982 1.00 0.00 C ATOM 3 C GLY A 1 6.783 11.489 7.187 1.00 0.00 C ATOM 4 O GLY A 1 7.133 10.796 6.234 1.00 0.00 O ATOM 0 H1 GLY A 1 7.262 14.815 7.023 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.919 13.710 8.133 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.289 13.576 6.481 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.613 13.232 7.684 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.994 13.093 5.980 1.00 0.00 H new ATOM 8 N SER A 2 6.705 11.060 8.438 1.00 0.00 N ATOM 9 CA SER A 2 7.039 9.688 8.781 1.00 0.00 C ATOM 10 C SER A 2 8.366 9.295 8.129 1.00 0.00 C ATOM 11 O SER A 2 8.383 8.750 7.027 1.00 0.00 O ATOM 12 CB SER A 2 5.930 8.727 8.350 1.00 0.00 C ATOM 13 OG SER A 2 5.699 8.774 6.945 1.00 0.00 O ATOM 0 H SER A 2 6.415 11.638 9.227 1.00 0.00 H new ATOM 0 HA SER A 2 7.139 9.620 9.864 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.198 7.711 8.639 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.009 8.976 8.877 1.00 0.00 H new ATOM 0 HG SER A 2 6.493 9.130 6.495 1.00 0.00 H new ATOM 19 N SER A 3 9.447 9.586 8.839 1.00 0.00 N ATOM 20 CA SER A 3 10.775 9.270 8.343 1.00 0.00 C ATOM 21 C SER A 3 11.548 8.466 9.391 1.00 0.00 C ATOM 22 O SER A 3 11.523 8.798 10.575 1.00 0.00 O ATOM 23 CB SER A 3 11.544 10.541 7.976 1.00 0.00 C ATOM 24 OG SER A 3 11.557 11.483 9.045 1.00 0.00 O ATOM 0 H SER A 3 9.429 10.037 9.754 1.00 0.00 H new ATOM 0 HA SER A 3 10.668 8.669 7.440 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.568 10.281 7.709 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.091 10.997 7.096 1.00 0.00 H new ATOM 0 HG SER A 3 12.059 12.280 8.773 1.00 0.00 H new ATOM 30 N GLY A 4 12.215 7.424 8.918 1.00 0.00 N ATOM 31 CA GLY A 4 12.993 6.570 9.799 1.00 0.00 C ATOM 32 C GLY A 4 13.990 5.725 9.005 1.00 0.00 C ATOM 33 O GLY A 4 14.446 6.135 7.938 1.00 0.00 O ATOM 0 H GLY A 4 12.233 7.152 7.935 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.527 7.182 10.526 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.325 5.918 10.362 1.00 0.00 H new ATOM 37 N SER A 5 14.301 4.560 9.555 1.00 0.00 N ATOM 38 CA SER A 5 15.236 3.654 8.910 1.00 0.00 C ATOM 39 C SER A 5 14.692 3.223 7.547 1.00 0.00 C ATOM 40 O SER A 5 13.484 3.063 7.379 1.00 0.00 O ATOM 41 CB SER A 5 15.507 2.428 9.785 1.00 0.00 C ATOM 42 OG SER A 5 16.364 2.734 10.882 1.00 0.00 O ATOM 0 H SER A 5 13.922 4.223 10.440 1.00 0.00 H new ATOM 0 HA SER A 5 16.179 4.181 8.767 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.562 2.035 10.161 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.960 1.643 9.179 1.00 0.00 H new ATOM 0 HG SER A 5 16.511 1.926 11.417 1.00 0.00 H new ATOM 48 N SER A 6 15.610 3.047 6.608 1.00 0.00 N ATOM 49 CA SER A 6 15.238 2.638 5.264 1.00 0.00 C ATOM 50 C SER A 6 14.847 1.159 5.257 1.00 0.00 C ATOM 51 O SER A 6 13.736 0.809 4.862 1.00 0.00 O ATOM 52 CB SER A 6 16.379 2.890 4.276 1.00 0.00 C ATOM 53 OG SER A 6 15.966 2.699 2.925 1.00 0.00 O ATOM 0 H SER A 6 16.611 3.180 6.751 1.00 0.00 H new ATOM 0 HA SER A 6 14.382 3.235 4.949 1.00 0.00 H new ATOM 0 HB2 SER A 6 16.750 3.907 4.402 1.00 0.00 H new ATOM 0 HB3 SER A 6 17.208 2.219 4.500 1.00 0.00 H new ATOM 0 HG SER A 6 16.721 2.871 2.325 1.00 0.00 H new ATOM 59 N GLY A 7 15.781 0.330 5.700 1.00 0.00 N ATOM 60 CA GLY A 7 15.548 -1.103 5.750 1.00 0.00 C ATOM 61 C GLY A 7 15.268 -1.662 4.353 1.00 0.00 C ATOM 62 O GLY A 7 14.250 -1.339 3.744 1.00 0.00 O ATOM 0 H GLY A 7 16.701 0.624 6.028 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.418 -1.602 6.178 1.00 0.00 H new ATOM 0 HA3 GLY A 7 14.704 -1.315 6.406 1.00 0.00 H new ATOM 66 N LYS A 8 16.191 -2.491 3.886 1.00 0.00 N ATOM 67 CA LYS A 8 16.056 -3.097 2.573 1.00 0.00 C ATOM 68 C LYS A 8 15.134 -4.315 2.670 1.00 0.00 C ATOM 69 O LYS A 8 15.530 -5.357 3.190 1.00 0.00 O ATOM 70 CB LYS A 8 17.433 -3.414 1.986 1.00 0.00 C ATOM 71 CG LYS A 8 17.858 -2.345 0.977 1.00 0.00 C ATOM 72 CD LYS A 8 19.148 -2.749 0.260 1.00 0.00 C ATOM 73 CE LYS A 8 19.320 -1.964 -1.042 1.00 0.00 C ATOM 74 NZ LYS A 8 20.749 -1.904 -1.425 1.00 0.00 N ATOM 0 H LYS A 8 17.035 -2.757 4.394 1.00 0.00 H new ATOM 0 HA LYS A 8 15.590 -2.399 1.877 1.00 0.00 H new ATOM 0 HB2 LYS A 8 18.169 -3.475 2.788 1.00 0.00 H new ATOM 0 HB3 LYS A 8 17.409 -4.389 1.500 1.00 0.00 H new ATOM 0 HG2 LYS A 8 17.064 -2.194 0.246 1.00 0.00 H new ATOM 0 HG3 LYS A 8 18.005 -1.394 1.489 1.00 0.00 H new ATOM 0 HD2 LYS A 8 20.002 -2.570 0.913 1.00 0.00 H new ATOM 0 HD3 LYS A 8 19.130 -3.817 0.045 1.00 0.00 H new ATOM 0 HE2 LYS A 8 18.744 -2.436 -1.837 1.00 0.00 H new ATOM 0 HE3 LYS A 8 18.927 -0.955 -0.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 20.849 -1.368 -2.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 21.291 -1.433 -0.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 21.113 -2.869 -1.561 1.00 0.00 H new ATOM 88 N VAL A 9 13.923 -4.142 2.162 1.00 0.00 N ATOM 89 CA VAL A 9 12.942 -5.213 2.185 1.00 0.00 C ATOM 90 C VAL A 9 12.958 -5.943 0.841 1.00 0.00 C ATOM 91 O VAL A 9 13.673 -5.545 -0.077 1.00 0.00 O ATOM 92 CB VAL A 9 11.564 -4.653 2.545 1.00 0.00 C ATOM 93 CG1 VAL A 9 11.601 -3.929 3.893 1.00 0.00 C ATOM 94 CG2 VAL A 9 11.041 -3.732 1.442 1.00 0.00 C ATOM 0 H VAL A 9 13.599 -3.276 1.732 1.00 0.00 H new ATOM 0 HA VAL A 9 13.192 -5.943 2.954 1.00 0.00 H new ATOM 0 HB VAL A 9 10.875 -5.492 2.635 1.00 0.00 H new ATOM 0 HG11 VAL A 9 10.609 -3.541 4.125 1.00 0.00 H new ATOM 0 HG12 VAL A 9 11.909 -4.626 4.672 1.00 0.00 H new ATOM 0 HG13 VAL A 9 12.311 -3.104 3.843 1.00 0.00 H new ATOM 0 HG21 VAL A 9 10.060 -3.348 1.723 1.00 0.00 H new ATOM 0 HG22 VAL A 9 11.731 -2.900 1.305 1.00 0.00 H new ATOM 0 HG23 VAL A 9 10.958 -4.291 0.510 1.00 0.00 H new ATOM 104 N SER A 10 12.161 -6.999 0.767 1.00 0.00 N ATOM 105 CA SER A 10 12.074 -7.787 -0.450 1.00 0.00 C ATOM 106 C SER A 10 10.622 -7.855 -0.928 1.00 0.00 C ATOM 107 O SER A 10 9.702 -7.537 -0.177 1.00 0.00 O ATOM 108 CB SER A 10 12.628 -9.197 -0.234 1.00 0.00 C ATOM 109 OG SER A 10 13.395 -9.291 0.964 1.00 0.00 O ATOM 0 H SER A 10 11.570 -7.327 1.531 1.00 0.00 H new ATOM 0 HA SER A 10 12.679 -7.301 -1.215 1.00 0.00 H new ATOM 0 HB2 SER A 10 11.803 -9.908 -0.193 1.00 0.00 H new ATOM 0 HB3 SER A 10 13.249 -9.477 -1.085 1.00 0.00 H new ATOM 0 HG SER A 10 13.730 -10.206 1.067 1.00 0.00 H new ATOM 115 N PRO A 11 10.458 -8.284 -2.208 1.00 0.00 N ATOM 116 CA PRO A 11 9.134 -8.398 -2.795 1.00 0.00 C ATOM 117 C PRO A 11 8.398 -9.625 -2.253 1.00 0.00 C ATOM 118 O PRO A 11 9.022 -10.550 -1.736 1.00 0.00 O ATOM 119 CB PRO A 11 9.372 -8.462 -4.295 1.00 0.00 C ATOM 120 CG PRO A 11 10.832 -8.850 -4.469 1.00 0.00 C ATOM 121 CD PRO A 11 11.525 -8.670 -3.128 1.00 0.00 C ATOM 0 HA PRO A 11 8.489 -7.556 -2.544 1.00 0.00 H new ATOM 0 HB2 PRO A 11 8.715 -9.194 -4.764 1.00 0.00 H new ATOM 0 HB3 PRO A 11 9.165 -7.501 -4.765 1.00 0.00 H new ATOM 0 HG2 PRO A 11 10.915 -9.883 -4.806 1.00 0.00 H new ATOM 0 HG3 PRO A 11 11.304 -8.228 -5.229 1.00 0.00 H new ATOM 0 HD2 PRO A 11 12.011 -9.591 -2.807 1.00 0.00 H new ATOM 0 HD3 PRO A 11 12.298 -7.904 -3.182 1.00 0.00 H new ATOM 129 N PRO A 12 7.045 -9.592 -2.394 1.00 0.00 N ATOM 130 CA PRO A 12 6.217 -10.690 -1.925 1.00 0.00 C ATOM 131 C PRO A 12 6.321 -11.894 -2.863 1.00 0.00 C ATOM 132 O PRO A 12 6.896 -11.795 -3.946 1.00 0.00 O ATOM 133 CB PRO A 12 4.812 -10.117 -1.846 1.00 0.00 C ATOM 134 CG PRO A 12 4.822 -8.867 -2.711 1.00 0.00 C ATOM 135 CD PRO A 12 6.271 -8.513 -3.001 1.00 0.00 C ATOM 0 HA PRO A 12 6.532 -11.070 -0.953 1.00 0.00 H new ATOM 0 HB2 PRO A 12 4.076 -10.836 -2.207 1.00 0.00 H new ATOM 0 HB3 PRO A 12 4.545 -9.877 -0.817 1.00 0.00 H new ATOM 0 HG2 PRO A 12 4.278 -9.041 -3.640 1.00 0.00 H new ATOM 0 HG3 PRO A 12 4.323 -8.044 -2.199 1.00 0.00 H new ATOM 0 HD2 PRO A 12 6.456 -8.448 -4.073 1.00 0.00 H new ATOM 0 HD3 PRO A 12 6.536 -7.546 -2.573 1.00 0.00 H new ATOM 143 N GLU A 13 5.754 -13.005 -2.413 1.00 0.00 N ATOM 144 CA GLU A 13 5.776 -14.227 -3.199 1.00 0.00 C ATOM 145 C GLU A 13 4.568 -14.275 -4.138 1.00 0.00 C ATOM 146 O GLU A 13 4.727 -14.319 -5.357 1.00 0.00 O ATOM 147 CB GLU A 13 5.816 -15.460 -2.294 1.00 0.00 C ATOM 148 CG GLU A 13 6.910 -16.432 -2.740 1.00 0.00 C ATOM 149 CD GLU A 13 6.661 -17.833 -2.178 1.00 0.00 C ATOM 150 OE1 GLU A 13 6.266 -17.907 -0.994 1.00 0.00 O ATOM 151 OE2 GLU A 13 6.871 -18.797 -2.945 1.00 0.00 O ATOM 0 H GLU A 13 5.277 -13.084 -1.515 1.00 0.00 H new ATOM 0 HA GLU A 13 6.683 -14.231 -3.804 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.995 -15.153 -1.263 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.849 -15.962 -2.314 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.943 -16.474 -3.829 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.882 -16.070 -2.405 1.00 0.00 H new ATOM 158 N ASP A 14 3.389 -14.265 -3.535 1.00 0.00 N ATOM 159 CA ASP A 14 2.156 -14.307 -4.302 1.00 0.00 C ATOM 160 C ASP A 14 2.195 -13.225 -5.383 1.00 0.00 C ATOM 161 O ASP A 14 2.213 -12.034 -5.074 1.00 0.00 O ATOM 162 CB ASP A 14 0.942 -14.039 -3.409 1.00 0.00 C ATOM 163 CG ASP A 14 -0.076 -15.179 -3.344 1.00 0.00 C ATOM 164 OD1 ASP A 14 -0.156 -15.927 -4.342 1.00 0.00 O ATOM 165 OD2 ASP A 14 -0.752 -15.276 -2.297 1.00 0.00 O ATOM 0 H ASP A 14 3.261 -14.228 -2.524 1.00 0.00 H new ATOM 0 HA ASP A 14 2.068 -15.300 -4.743 1.00 0.00 H new ATOM 0 HB2 ASP A 14 1.292 -13.827 -2.399 1.00 0.00 H new ATOM 0 HB3 ASP A 14 0.438 -13.141 -3.767 1.00 0.00 H new ATOM 170 N GLU A 15 2.209 -13.677 -6.628 1.00 0.00 N ATOM 171 CA GLU A 15 2.246 -12.763 -7.756 1.00 0.00 C ATOM 172 C GLU A 15 1.033 -11.830 -7.724 1.00 0.00 C ATOM 173 O GLU A 15 1.179 -10.613 -7.817 1.00 0.00 O ATOM 174 CB GLU A 15 2.315 -13.527 -9.080 1.00 0.00 C ATOM 175 CG GLU A 15 3.272 -12.844 -10.059 1.00 0.00 C ATOM 176 CD GLU A 15 3.794 -13.837 -11.099 1.00 0.00 C ATOM 177 OE1 GLU A 15 2.970 -14.650 -11.570 1.00 0.00 O ATOM 178 OE2 GLU A 15 5.005 -13.760 -11.400 1.00 0.00 O ATOM 0 H GLU A 15 2.195 -14.665 -6.880 1.00 0.00 H new ATOM 0 HA GLU A 15 3.148 -12.157 -7.677 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.645 -14.550 -8.897 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.320 -13.588 -9.521 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.760 -12.023 -10.560 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.110 -12.411 -9.512 1.00 0.00 H new ATOM 185 N GLU A 16 -0.137 -12.438 -7.593 1.00 0.00 N ATOM 186 CA GLU A 16 -1.374 -11.677 -7.547 1.00 0.00 C ATOM 187 C GLU A 16 -1.221 -10.470 -6.620 1.00 0.00 C ATOM 188 O GLU A 16 -1.878 -9.448 -6.813 1.00 0.00 O ATOM 189 CB GLU A 16 -2.545 -12.560 -7.110 1.00 0.00 C ATOM 190 CG GLU A 16 -3.277 -13.140 -8.322 1.00 0.00 C ATOM 191 CD GLU A 16 -4.443 -14.029 -7.884 1.00 0.00 C ATOM 192 OE1 GLU A 16 -4.205 -14.887 -7.007 1.00 0.00 O ATOM 193 OE2 GLU A 16 -5.547 -13.829 -8.436 1.00 0.00 O ATOM 0 H GLU A 16 -0.254 -13.448 -7.517 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.591 -11.313 -8.551 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.179 -13.370 -6.480 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.240 -11.976 -6.506 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.648 -12.330 -8.949 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.581 -13.719 -8.929 1.00 0.00 H new ATOM 200 N ALA A 17 -0.351 -10.629 -5.633 1.00 0.00 N ATOM 201 CA ALA A 17 -0.104 -9.564 -4.676 1.00 0.00 C ATOM 202 C ALA A 17 0.773 -8.492 -5.326 1.00 0.00 C ATOM 203 O ALA A 17 0.383 -7.328 -5.402 1.00 0.00 O ATOM 204 CB ALA A 17 0.531 -10.151 -3.413 1.00 0.00 C ATOM 0 H ALA A 17 0.191 -11.479 -5.476 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.039 -9.089 -4.381 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.717 -9.353 -2.694 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.144 -10.885 -2.974 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.474 -10.634 -3.670 1.00 0.00 H new ATOM 210 N LYS A 18 1.941 -8.924 -5.779 1.00 0.00 N ATOM 211 CA LYS A 18 2.877 -8.015 -6.420 1.00 0.00 C ATOM 212 C LYS A 18 2.108 -7.062 -7.337 1.00 0.00 C ATOM 213 O LYS A 18 2.531 -5.928 -7.554 1.00 0.00 O ATOM 214 CB LYS A 18 3.980 -8.799 -7.134 1.00 0.00 C ATOM 215 CG LYS A 18 5.364 -8.281 -6.737 1.00 0.00 C ATOM 216 CD LYS A 18 6.438 -9.343 -6.983 1.00 0.00 C ATOM 217 CE LYS A 18 6.980 -9.254 -8.411 1.00 0.00 C ATOM 218 NZ LYS A 18 7.929 -10.358 -8.675 1.00 0.00 N ATOM 0 H LYS A 18 2.261 -9.891 -5.715 1.00 0.00 H new ATOM 0 HA LYS A 18 3.384 -7.402 -5.675 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.898 -9.857 -6.885 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.852 -8.714 -8.213 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.598 -7.383 -7.309 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.362 -7.997 -5.685 1.00 0.00 H new ATOM 0 HD2 LYS A 18 7.254 -9.212 -6.272 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.020 -10.335 -6.810 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.155 -9.297 -9.123 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.478 -8.296 -8.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.287 -10.283 -9.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.725 -10.299 -8.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.443 -11.270 -8.555 1.00 0.00 H new ATOM 232 N ASN A 19 0.992 -7.558 -7.851 1.00 0.00 N ATOM 233 CA ASN A 19 0.160 -6.764 -8.740 1.00 0.00 C ATOM 234 C ASN A 19 -0.841 -5.958 -7.910 1.00 0.00 C ATOM 235 O ASN A 19 -0.950 -4.743 -8.070 1.00 0.00 O ATOM 236 CB ASN A 19 -0.631 -7.657 -9.697 1.00 0.00 C ATOM 237 CG ASN A 19 -0.517 -7.153 -11.138 1.00 0.00 C ATOM 238 OD1 ASN A 19 -0.174 -6.012 -11.398 1.00 0.00 O ATOM 239 ND2 ASN A 19 -0.824 -8.065 -12.056 1.00 0.00 N ATOM 0 H ASN A 19 0.644 -8.500 -7.669 1.00 0.00 H new ATOM 0 HA ASN A 19 0.812 -6.107 -9.315 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.260 -8.680 -9.635 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.679 -7.679 -9.397 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.780 -7.826 -13.047 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -1.104 -9.003 -11.769 1.00 0.00 H new ATOM 246 N LEU A 20 -1.547 -6.666 -7.040 1.00 0.00 N ATOM 247 CA LEU A 20 -2.535 -6.031 -6.185 1.00 0.00 C ATOM 248 C LEU A 20 -1.886 -4.860 -5.445 1.00 0.00 C ATOM 249 O LEU A 20 -2.359 -3.728 -5.531 1.00 0.00 O ATOM 250 CB LEU A 20 -3.181 -7.062 -5.257 1.00 0.00 C ATOM 251 CG LEU A 20 -4.325 -7.881 -5.858 1.00 0.00 C ATOM 252 CD1 LEU A 20 -4.905 -8.852 -4.828 1.00 0.00 C ATOM 253 CD2 LEU A 20 -5.399 -6.969 -6.454 1.00 0.00 C ATOM 0 H LEU A 20 -1.454 -7.673 -6.909 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.348 -5.619 -6.783 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.407 -7.750 -4.917 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.556 -6.543 -4.375 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.923 -8.480 -6.675 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.716 -9.421 -5.281 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.125 -9.536 -4.493 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.288 -8.292 -3.975 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.200 -7.577 -6.874 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.804 -6.325 -5.673 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.959 -6.355 -7.240 1.00 0.00 H new ATOM 265 N ALA A 21 -0.812 -5.172 -4.735 1.00 0.00 N ATOM 266 CA ALA A 21 -0.093 -4.159 -3.981 1.00 0.00 C ATOM 267 C ALA A 21 0.091 -2.915 -4.853 1.00 0.00 C ATOM 268 O ALA A 21 -0.502 -1.871 -4.583 1.00 0.00 O ATOM 269 CB ALA A 21 1.240 -4.733 -3.497 1.00 0.00 C ATOM 0 H ALA A 21 -0.422 -6.112 -4.666 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.660 -3.863 -3.099 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.779 -3.973 -2.931 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.054 -5.597 -2.859 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.838 -5.039 -4.356 1.00 0.00 H new ATOM 275 N GLU A 22 0.914 -3.067 -5.880 1.00 0.00 N ATOM 276 CA GLU A 22 1.182 -1.969 -6.792 1.00 0.00 C ATOM 277 C GLU A 22 -0.115 -1.232 -7.133 1.00 0.00 C ATOM 278 O GLU A 22 -0.295 -0.077 -6.751 1.00 0.00 O ATOM 279 CB GLU A 22 1.879 -2.467 -8.060 1.00 0.00 C ATOM 280 CG GLU A 22 3.028 -1.538 -8.456 1.00 0.00 C ATOM 281 CD GLU A 22 2.881 -1.072 -9.906 1.00 0.00 C ATOM 282 OE1 GLU A 22 3.334 -1.827 -10.793 1.00 0.00 O ATOM 283 OE2 GLU A 22 2.320 0.029 -10.094 1.00 0.00 O ATOM 0 H GLU A 22 1.404 -3.934 -6.100 1.00 0.00 H new ATOM 0 HA GLU A 22 1.855 -1.269 -6.298 1.00 0.00 H new ATOM 0 HB2 GLU A 22 2.261 -3.475 -7.897 1.00 0.00 H new ATOM 0 HB3 GLU A 22 1.158 -2.527 -8.875 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.047 -0.673 -7.792 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.979 -2.056 -8.331 1.00 0.00 H new ATOM 290 N LYS A 23 -0.984 -1.931 -7.848 1.00 0.00 N ATOM 291 CA LYS A 23 -2.260 -1.358 -8.244 1.00 0.00 C ATOM 292 C LYS A 23 -2.830 -0.542 -7.082 1.00 0.00 C ATOM 293 O LYS A 23 -3.053 0.660 -7.214 1.00 0.00 O ATOM 294 CB LYS A 23 -3.204 -2.450 -8.751 1.00 0.00 C ATOM 295 CG LYS A 23 -3.147 -2.559 -10.276 1.00 0.00 C ATOM 296 CD LYS A 23 -4.535 -2.837 -10.857 1.00 0.00 C ATOM 297 CE LYS A 23 -4.490 -3.997 -11.854 1.00 0.00 C ATOM 298 NZ LYS A 23 -4.653 -3.498 -13.237 1.00 0.00 N ATOM 0 H LYS A 23 -0.830 -2.889 -8.164 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.126 -0.672 -9.080 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.933 -3.406 -8.304 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.224 -2.229 -8.436 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.751 -1.634 -10.696 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.462 -3.357 -10.562 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.230 -3.072 -10.051 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.912 -1.942 -11.352 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.542 -4.527 -11.762 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.279 -4.713 -11.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.620 -4.298 -13.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.568 -3.012 -13.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.885 -2.832 -13.459 1.00 0.00 H new ATOM 312 N LEU A 24 -3.050 -1.229 -5.970 1.00 0.00 N ATOM 313 CA LEU A 24 -3.590 -0.583 -4.786 1.00 0.00 C ATOM 314 C LEU A 24 -2.939 0.791 -4.618 1.00 0.00 C ATOM 315 O LEU A 24 -3.616 1.816 -4.693 1.00 0.00 O ATOM 316 CB LEU A 24 -3.436 -1.490 -3.564 1.00 0.00 C ATOM 317 CG LEU A 24 -4.667 -1.617 -2.663 1.00 0.00 C ATOM 318 CD1 LEU A 24 -4.802 -0.399 -1.746 1.00 0.00 C ATOM 319 CD2 LEU A 24 -5.931 -1.854 -3.492 1.00 0.00 C ATOM 0 H LEU A 24 -2.864 -2.226 -5.864 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.661 -0.417 -4.898 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.158 -2.486 -3.908 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.607 -1.118 -2.962 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.534 -2.489 -2.023 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.684 -0.514 -1.116 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.915 -0.317 -1.117 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.903 0.502 -2.351 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.791 -1.941 -2.828 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.082 -1.017 -4.173 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.822 -2.774 -4.066 1.00 0.00 H new ATOM 331 N ALA A 25 -1.634 0.769 -4.394 1.00 0.00 N ATOM 332 CA ALA A 25 -0.884 2.000 -4.215 1.00 0.00 C ATOM 333 C ALA A 25 -1.106 2.909 -5.426 1.00 0.00 C ATOM 334 O ALA A 25 -1.503 4.063 -5.276 1.00 0.00 O ATOM 335 CB ALA A 25 0.595 1.671 -3.997 1.00 0.00 C ATOM 0 H ALA A 25 -1.076 -0.083 -4.332 1.00 0.00 H new ATOM 0 HA ALA A 25 -1.233 2.536 -3.332 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.157 2.595 -3.863 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.702 1.049 -3.109 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.980 1.135 -4.864 1.00 0.00 H new ATOM 341 N ARG A 26 -0.841 2.353 -6.599 1.00 0.00 N ATOM 342 CA ARG A 26 -1.008 3.099 -7.835 1.00 0.00 C ATOM 343 C ARG A 26 -2.343 3.845 -7.829 1.00 0.00 C ATOM 344 O ARG A 26 -2.457 4.927 -8.403 1.00 0.00 O ATOM 345 CB ARG A 26 -0.956 2.170 -9.050 1.00 0.00 C ATOM 346 CG ARG A 26 0.210 2.536 -9.970 1.00 0.00 C ATOM 347 CD ARG A 26 -0.294 3.169 -11.269 1.00 0.00 C ATOM 348 NE ARG A 26 -0.012 2.273 -12.412 1.00 0.00 N ATOM 349 CZ ARG A 26 1.166 2.212 -13.046 1.00 0.00 C ATOM 350 NH1 ARG A 26 2.180 2.995 -12.653 1.00 0.00 N ATOM 351 NH2 ARG A 26 1.332 1.368 -14.074 1.00 0.00 N ATOM 0 H ARG A 26 -0.512 1.395 -6.720 1.00 0.00 H new ATOM 0 HA ARG A 26 -0.189 3.815 -7.903 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -0.852 1.137 -8.718 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.894 2.234 -9.602 1.00 0.00 H new ATOM 0 HG2 ARG A 26 0.878 3.229 -9.459 1.00 0.00 H new ATOM 0 HG3 ARG A 26 0.792 1.643 -10.198 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -1.365 3.357 -11.200 1.00 0.00 H new ATOM 0 HD3 ARG A 26 0.189 4.133 -11.425 1.00 0.00 H new ATOM 0 HE ARG A 26 -0.762 1.663 -12.738 1.00 0.00 H new ATOM 0 HH11 ARG A 26 2.055 3.638 -11.871 1.00 0.00 H new ATOM 0 HH12 ARG A 26 3.077 2.948 -13.136 1.00 0.00 H new ATOM 0 HH21 ARG A 26 0.561 0.772 -14.374 1.00 0.00 H new ATOM 0 HH22 ARG A 26 2.230 1.322 -14.556 1.00 0.00 H new ATOM 365 N PHE A 27 -3.322 3.237 -7.174 1.00 0.00 N ATOM 366 CA PHE A 27 -4.645 3.831 -7.085 1.00 0.00 C ATOM 367 C PHE A 27 -4.738 4.788 -5.895 1.00 0.00 C ATOM 368 O PHE A 27 -5.001 5.977 -6.069 1.00 0.00 O ATOM 369 CB PHE A 27 -5.637 2.684 -6.881 1.00 0.00 C ATOM 370 CG PHE A 27 -6.976 3.119 -6.283 1.00 0.00 C ATOM 371 CD1 PHE A 27 -7.792 3.955 -6.978 1.00 0.00 C ATOM 372 CD2 PHE A 27 -7.350 2.669 -5.055 1.00 0.00 C ATOM 373 CE1 PHE A 27 -9.035 4.359 -6.423 1.00 0.00 C ATOM 374 CE2 PHE A 27 -8.594 3.073 -4.500 1.00 0.00 C ATOM 375 CZ PHE A 27 -9.410 3.909 -5.195 1.00 0.00 C ATOM 0 H PHE A 27 -3.225 2.339 -6.700 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.860 4.399 -7.990 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -5.819 2.200 -7.840 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -5.184 1.938 -6.228 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.495 4.312 -7.953 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.702 2.005 -4.502 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -9.683 5.023 -6.976 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -8.891 2.716 -3.525 1.00 0.00 H new ATOM 0 HZ PHE A 27 -10.355 4.216 -4.773 1.00 0.00 H new ATOM 385 N ILE A 28 -4.517 4.234 -4.712 1.00 0.00 N ATOM 386 CA ILE A 28 -4.573 5.023 -3.494 1.00 0.00 C ATOM 387 C ILE A 28 -3.655 6.239 -3.636 1.00 0.00 C ATOM 388 O ILE A 28 -3.821 7.233 -2.932 1.00 0.00 O ATOM 389 CB ILE A 28 -4.257 4.153 -2.276 1.00 0.00 C ATOM 390 CG1 ILE A 28 -5.474 3.321 -1.865 1.00 0.00 C ATOM 391 CG2 ILE A 28 -3.725 5.001 -1.119 1.00 0.00 C ATOM 392 CD1 ILE A 28 -5.135 2.395 -0.695 1.00 0.00 C ATOM 0 H ILE A 28 -4.299 3.248 -4.571 1.00 0.00 H new ATOM 0 HA ILE A 28 -5.582 5.402 -3.332 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.468 3.454 -2.552 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -6.293 3.983 -1.584 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.818 2.730 -2.714 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.508 4.358 -0.266 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.813 5.510 -1.430 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.474 5.740 -0.835 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.017 1.815 -0.423 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.332 1.719 -0.987 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.814 2.991 0.160 1.00 0.00 H new ATOM 404 N ALA A 29 -2.705 6.119 -4.552 1.00 0.00 N ATOM 405 CA ALA A 29 -1.760 7.195 -4.796 1.00 0.00 C ATOM 406 C ALA A 29 -2.422 8.261 -5.672 1.00 0.00 C ATOM 407 O ALA A 29 -2.081 9.439 -5.586 1.00 0.00 O ATOM 408 CB ALA A 29 -0.490 6.625 -5.431 1.00 0.00 C ATOM 0 H ALA A 29 -2.570 5.293 -5.134 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.471 7.671 -3.859 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.219 7.432 -5.614 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.042 5.895 -4.757 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.741 6.141 -6.375 1.00 0.00 H new ATOM 414 N ASP A 30 -3.357 7.808 -6.494 1.00 0.00 N ATOM 415 CA ASP A 30 -4.070 8.708 -7.384 1.00 0.00 C ATOM 416 C ASP A 30 -5.089 9.516 -6.578 1.00 0.00 C ATOM 417 O ASP A 30 -5.717 10.433 -7.105 1.00 0.00 O ATOM 418 CB ASP A 30 -4.830 7.930 -8.461 1.00 0.00 C ATOM 419 CG ASP A 30 -4.251 8.048 -9.872 1.00 0.00 C ATOM 420 OD1 ASP A 30 -3.079 8.468 -9.972 1.00 0.00 O ATOM 421 OD2 ASP A 30 -4.995 7.714 -10.820 1.00 0.00 O ATOM 0 H ASP A 30 -3.637 6.830 -6.562 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.338 9.361 -7.859 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.852 6.877 -8.180 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.863 8.277 -8.478 1.00 0.00 H new ATOM 426 N GLY A 31 -5.221 9.146 -5.312 1.00 0.00 N ATOM 427 CA GLY A 31 -6.152 9.825 -4.427 1.00 0.00 C ATOM 428 C GLY A 31 -5.408 10.598 -3.336 1.00 0.00 C ATOM 429 O GLY A 31 -4.602 11.478 -3.634 1.00 0.00 O ATOM 0 H GLY A 31 -4.699 8.385 -4.879 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.773 10.510 -5.004 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -6.821 9.096 -3.969 1.00 0.00 H new ATOM 433 N GLY A 32 -5.705 10.240 -2.096 1.00 0.00 N ATOM 434 CA GLY A 32 -5.075 10.889 -0.959 1.00 0.00 C ATOM 435 C GLY A 32 -5.510 10.238 0.355 1.00 0.00 C ATOM 436 O GLY A 32 -5.601 9.014 0.446 1.00 0.00 O ATOM 0 H GLY A 32 -6.374 9.509 -1.853 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -3.991 10.830 -1.057 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.337 11.947 -0.949 1.00 0.00 H new ATOM 440 N PRO A 33 -5.774 11.107 1.368 1.00 0.00 N ATOM 441 CA PRO A 33 -6.197 10.628 2.673 1.00 0.00 C ATOM 442 C PRO A 33 -7.656 10.168 2.641 1.00 0.00 C ATOM 443 O PRO A 33 -8.187 9.705 3.650 1.00 0.00 O ATOM 444 CB PRO A 33 -5.964 11.798 3.615 1.00 0.00 C ATOM 445 CG PRO A 33 -5.859 13.031 2.732 1.00 0.00 C ATOM 446 CD PRO A 33 -5.677 12.562 1.297 1.00 0.00 C ATOM 0 HA PRO A 33 -5.638 9.752 3.001 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -6.784 11.896 4.326 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -5.053 11.656 4.197 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -6.756 13.643 2.823 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -5.017 13.651 3.041 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -6.444 12.979 0.644 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -4.713 12.876 0.897 1.00 0.00 H new ATOM 454 N GLU A 34 -8.263 10.311 1.472 1.00 0.00 N ATOM 455 CA GLU A 34 -9.650 9.915 1.296 1.00 0.00 C ATOM 456 C GLU A 34 -9.730 8.498 0.724 1.00 0.00 C ATOM 457 O GLU A 34 -10.488 7.666 1.221 1.00 0.00 O ATOM 458 CB GLU A 34 -10.395 10.910 0.403 1.00 0.00 C ATOM 459 CG GLU A 34 -11.697 11.369 1.061 1.00 0.00 C ATOM 460 CD GLU A 34 -12.250 12.617 0.369 1.00 0.00 C ATOM 461 OE1 GLU A 34 -13.032 12.436 -0.589 1.00 0.00 O ATOM 462 OE2 GLU A 34 -11.878 13.724 0.815 1.00 0.00 O ATOM 0 H GLU A 34 -7.820 10.695 0.638 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.135 9.919 2.272 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.759 11.773 0.205 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.613 10.448 -0.560 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -12.434 10.567 1.016 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -11.521 11.581 2.116 1.00 0.00 H new ATOM 469 N VAL A 35 -8.936 8.267 -0.311 1.00 0.00 N ATOM 470 CA VAL A 35 -8.907 6.966 -0.956 1.00 0.00 C ATOM 471 C VAL A 35 -8.395 5.921 0.037 1.00 0.00 C ATOM 472 O VAL A 35 -8.965 4.837 0.153 1.00 0.00 O ATOM 473 CB VAL A 35 -8.072 7.034 -2.236 1.00 0.00 C ATOM 474 CG1 VAL A 35 -6.576 6.995 -1.916 1.00 0.00 C ATOM 475 CG2 VAL A 35 -8.455 5.911 -3.202 1.00 0.00 C ATOM 0 H VAL A 35 -8.308 8.959 -0.719 1.00 0.00 H new ATOM 0 HA VAL A 35 -9.911 6.666 -1.255 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.286 7.984 -2.726 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.004 7.045 -2.843 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.317 7.844 -1.284 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.340 6.068 -1.393 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.846 5.983 -4.103 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.284 4.946 -2.725 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.508 6.003 -3.467 1.00 0.00 H new ATOM 485 N GLU A 36 -7.325 6.283 0.730 1.00 0.00 N ATOM 486 CA GLU A 36 -6.730 5.391 1.710 1.00 0.00 C ATOM 487 C GLU A 36 -7.727 5.094 2.832 1.00 0.00 C ATOM 488 O GLU A 36 -7.520 4.177 3.625 1.00 0.00 O ATOM 489 CB GLU A 36 -5.433 5.978 2.270 1.00 0.00 C ATOM 490 CG GLU A 36 -5.713 6.873 3.479 1.00 0.00 C ATOM 491 CD GLU A 36 -4.526 7.794 3.767 1.00 0.00 C ATOM 492 OE1 GLU A 36 -4.014 8.382 2.790 1.00 0.00 O ATOM 493 OE2 GLU A 36 -4.157 7.888 4.957 1.00 0.00 O ATOM 0 H GLU A 36 -6.855 7.183 0.632 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.481 4.453 1.214 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.759 5.171 2.559 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -4.927 6.554 1.496 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.605 7.471 3.294 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -5.919 6.255 4.353 1.00 0.00 H new ATOM 500 N THR A 37 -8.788 5.887 2.863 1.00 0.00 N ATOM 501 CA THR A 37 -9.817 5.721 3.875 1.00 0.00 C ATOM 502 C THR A 37 -10.932 4.810 3.357 1.00 0.00 C ATOM 503 O THR A 37 -11.244 3.793 3.974 1.00 0.00 O ATOM 504 CB THR A 37 -10.309 7.111 4.282 1.00 0.00 C ATOM 505 OG1 THR A 37 -9.243 7.641 5.066 1.00 0.00 O ATOM 506 CG2 THR A 37 -11.491 7.054 5.251 1.00 0.00 C ATOM 0 H THR A 37 -8.957 6.646 2.203 1.00 0.00 H new ATOM 0 HA THR A 37 -9.422 5.227 4.763 1.00 0.00 H new ATOM 0 HB THR A 37 -10.597 7.669 3.391 1.00 0.00 H new ATOM 0 HG1 THR A 37 -8.758 8.316 4.546 1.00 0.00 H new ATOM 0 HG21 THR A 37 -11.800 8.067 5.507 1.00 0.00 H new ATOM 0 HG22 THR A 37 -12.322 6.529 4.780 1.00 0.00 H new ATOM 0 HG23 THR A 37 -11.194 6.525 6.157 1.00 0.00 H new ATOM 514 N ILE A 38 -11.501 5.207 2.229 1.00 0.00 N ATOM 515 CA ILE A 38 -12.574 4.439 1.621 1.00 0.00 C ATOM 516 C ILE A 38 -12.011 3.122 1.083 1.00 0.00 C ATOM 517 O ILE A 38 -12.592 2.060 1.303 1.00 0.00 O ATOM 518 CB ILE A 38 -13.299 5.275 0.564 1.00 0.00 C ATOM 519 CG1 ILE A 38 -14.178 6.343 1.218 1.00 0.00 C ATOM 520 CG2 ILE A 38 -14.095 4.382 -0.390 1.00 0.00 C ATOM 521 CD1 ILE A 38 -13.374 7.610 1.515 1.00 0.00 C ATOM 0 H ILE A 38 -11.239 6.051 1.720 1.00 0.00 H new ATOM 0 HA ILE A 38 -13.329 4.184 2.365 1.00 0.00 H new ATOM 0 HB ILE A 38 -12.550 5.796 -0.033 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -15.013 6.584 0.560 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -14.603 5.953 2.143 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -14.601 5.001 -1.131 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -13.417 3.693 -0.894 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -14.835 3.815 0.175 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -14.023 8.352 1.979 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -12.554 7.370 2.192 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -12.971 8.011 0.585 1.00 0.00 H new ATOM 533 N ALA A 39 -10.888 3.234 0.390 1.00 0.00 N ATOM 534 CA ALA A 39 -10.241 2.065 -0.180 1.00 0.00 C ATOM 535 C ALA A 39 -9.977 1.043 0.927 1.00 0.00 C ATOM 536 O ALA A 39 -10.127 -0.160 0.715 1.00 0.00 O ATOM 537 CB ALA A 39 -8.958 2.491 -0.899 1.00 0.00 C ATOM 0 H ALA A 39 -10.409 4.117 0.210 1.00 0.00 H new ATOM 0 HA ALA A 39 -10.887 1.591 -0.919 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.472 1.614 -1.327 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -9.203 3.194 -1.695 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.284 2.968 -0.188 1.00 0.00 H new ATOM 543 N LEU A 40 -9.588 1.558 2.084 1.00 0.00 N ATOM 544 CA LEU A 40 -9.302 0.705 3.224 1.00 0.00 C ATOM 545 C LEU A 40 -10.618 0.204 3.824 1.00 0.00 C ATOM 546 O LEU A 40 -10.788 -0.994 4.044 1.00 0.00 O ATOM 547 CB LEU A 40 -8.407 1.434 4.228 1.00 0.00 C ATOM 548 CG LEU A 40 -6.945 1.615 3.815 1.00 0.00 C ATOM 549 CD1 LEU A 40 -6.160 2.367 4.892 1.00 0.00 C ATOM 550 CD2 LEU A 40 -6.302 0.269 3.472 1.00 0.00 C ATOM 0 H LEU A 40 -9.464 2.556 2.256 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.739 -0.174 2.910 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.835 2.418 4.418 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.433 0.888 5.171 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.918 2.225 2.912 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.124 2.482 4.573 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.604 3.351 5.046 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.192 1.805 5.825 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.263 0.426 3.182 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.341 -0.385 4.343 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.844 -0.193 2.647 1.00 0.00 H new ATOM 562 N GLN A 41 -11.515 1.147 4.072 1.00 0.00 N ATOM 563 CA GLN A 41 -12.810 0.817 4.642 1.00 0.00 C ATOM 564 C GLN A 41 -13.541 -0.189 3.751 1.00 0.00 C ATOM 565 O GLN A 41 -14.413 -0.919 4.219 1.00 0.00 O ATOM 566 CB GLN A 41 -13.653 2.076 4.853 1.00 0.00 C ATOM 567 CG GLN A 41 -14.504 1.960 6.120 1.00 0.00 C ATOM 568 CD GLN A 41 -15.369 3.207 6.315 1.00 0.00 C ATOM 569 OE1 GLN A 41 -15.070 4.084 7.108 1.00 0.00 O ATOM 570 NE2 GLN A 41 -16.456 3.236 5.549 1.00 0.00 N ATOM 0 H GLN A 41 -11.370 2.140 3.889 1.00 0.00 H new ATOM 0 HA GLN A 41 -12.650 0.359 5.618 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -13.001 2.946 4.927 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -14.299 2.234 3.990 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -15.141 1.078 6.055 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -13.857 1.823 6.986 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -16.647 2.468 4.906 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -17.098 4.026 5.605 1.00 0.00 H new ATOM 579 N ASN A 42 -13.158 -0.196 2.482 1.00 0.00 N ATOM 580 CA ASN A 42 -13.766 -1.100 1.522 1.00 0.00 C ATOM 581 C ASN A 42 -12.900 -2.355 1.390 1.00 0.00 C ATOM 582 O ASN A 42 -13.415 -3.472 1.394 1.00 0.00 O ATOM 583 CB ASN A 42 -13.869 -0.450 0.141 1.00 0.00 C ATOM 584 CG ASN A 42 -15.132 -0.910 -0.589 1.00 0.00 C ATOM 585 OD1 ASN A 42 -15.357 -2.088 -0.813 1.00 0.00 O ATOM 586 ND2 ASN A 42 -15.942 0.082 -0.947 1.00 0.00 N ATOM 0 H ASN A 42 -12.434 0.411 2.097 1.00 0.00 H new ATOM 0 HA ASN A 42 -14.766 -1.348 1.879 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -13.880 0.635 0.246 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -12.990 -0.704 -0.451 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -16.811 -0.122 -1.440 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -15.694 1.047 -0.729 1.00 0.00 H new ATOM 593 N ASN A 43 -11.600 -2.128 1.276 1.00 0.00 N ATOM 594 CA ASN A 43 -10.658 -3.226 1.143 1.00 0.00 C ATOM 595 C ASN A 43 -10.647 -4.042 2.437 1.00 0.00 C ATOM 596 O ASN A 43 -10.092 -5.139 2.479 1.00 0.00 O ATOM 597 CB ASN A 43 -9.239 -2.708 0.899 1.00 0.00 C ATOM 598 CG ASN A 43 -9.063 -2.253 -0.551 1.00 0.00 C ATOM 599 OD1 ASN A 43 -9.747 -2.702 -1.457 1.00 0.00 O ATOM 600 ND2 ASN A 43 -8.112 -1.340 -0.720 1.00 0.00 N ATOM 0 H ASN A 43 -11.177 -1.200 1.273 1.00 0.00 H new ATOM 0 HA ASN A 43 -10.970 -3.837 0.296 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -9.031 -1.877 1.573 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -8.517 -3.492 1.128 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -7.918 -0.972 -1.651 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -7.576 -1.007 0.082 1.00 0.00 H new ATOM 607 N ARG A 44 -11.266 -3.475 3.462 1.00 0.00 N ATOM 608 CA ARG A 44 -11.334 -4.137 4.754 1.00 0.00 C ATOM 609 C ARG A 44 -11.911 -5.546 4.599 1.00 0.00 C ATOM 610 O ARG A 44 -11.255 -6.530 4.937 1.00 0.00 O ATOM 611 CB ARG A 44 -12.201 -3.343 5.734 1.00 0.00 C ATOM 612 CG ARG A 44 -11.335 -2.502 6.674 1.00 0.00 C ATOM 613 CD ARG A 44 -11.904 -2.509 8.095 1.00 0.00 C ATOM 614 NE ARG A 44 -11.072 -3.366 8.969 1.00 0.00 N ATOM 615 CZ ARG A 44 -11.433 -3.760 10.198 1.00 0.00 C ATOM 616 NH1 ARG A 44 -12.612 -3.376 10.705 1.00 0.00 N ATOM 617 NH2 ARG A 44 -10.614 -4.538 10.919 1.00 0.00 N ATOM 0 H ARG A 44 -11.725 -2.565 3.424 1.00 0.00 H new ATOM 0 HA ARG A 44 -10.320 -4.198 5.150 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -12.880 -2.694 5.181 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -12.818 -4.027 6.317 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -10.317 -2.892 6.684 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -11.280 -1.478 6.305 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -11.933 -1.493 8.489 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -12.930 -2.876 8.083 1.00 0.00 H new ATOM 0 HE ARG A 44 -10.168 -3.676 8.614 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -13.235 -2.784 10.156 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -12.887 -3.676 11.640 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -9.716 -4.830 10.532 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -10.888 -4.838 11.854 1.00 0.00 H new ATOM 631 N GLU A 45 -13.132 -5.598 4.088 1.00 0.00 N ATOM 632 CA GLU A 45 -13.805 -6.869 3.885 1.00 0.00 C ATOM 633 C GLU A 45 -13.012 -7.738 2.906 1.00 0.00 C ATOM 634 O GLU A 45 -12.893 -8.947 3.100 1.00 0.00 O ATOM 635 CB GLU A 45 -15.239 -6.659 3.394 1.00 0.00 C ATOM 636 CG GLU A 45 -15.269 -5.756 2.159 1.00 0.00 C ATOM 637 CD GLU A 45 -16.648 -5.778 1.498 1.00 0.00 C ATOM 638 OE1 GLU A 45 -17.554 -5.119 2.053 1.00 0.00 O ATOM 639 OE2 GLU A 45 -16.766 -6.453 0.452 1.00 0.00 O ATOM 0 H GLU A 45 -13.673 -4.780 3.808 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.857 -7.388 4.842 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -15.690 -7.622 3.156 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -15.838 -6.214 4.189 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.015 -4.735 2.444 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -14.514 -6.085 1.445 1.00 0.00 H new ATOM 646 N ASN A 46 -12.491 -7.088 1.876 1.00 0.00 N ATOM 647 CA ASN A 46 -11.713 -7.786 0.866 1.00 0.00 C ATOM 648 C ASN A 46 -10.588 -8.568 1.547 1.00 0.00 C ATOM 649 O ASN A 46 -9.906 -8.044 2.426 1.00 0.00 O ATOM 650 CB ASN A 46 -11.077 -6.802 -0.117 1.00 0.00 C ATOM 651 CG ASN A 46 -11.817 -6.810 -1.456 1.00 0.00 C ATOM 652 OD1 ASN A 46 -12.285 -7.832 -1.931 1.00 0.00 O ATOM 653 ND2 ASN A 46 -11.897 -5.616 -2.037 1.00 0.00 N ATOM 0 H ASN A 46 -12.592 -6.085 1.719 1.00 0.00 H new ATOM 0 HA ASN A 46 -12.384 -8.453 0.324 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -11.094 -5.798 0.306 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.031 -7.064 -0.274 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -12.372 -5.516 -2.934 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -11.483 -4.800 -1.585 1.00 0.00 H new ATOM 660 N GLN A 47 -10.428 -9.810 1.113 1.00 0.00 N ATOM 661 CA GLN A 47 -9.397 -10.670 1.669 1.00 0.00 C ATOM 662 C GLN A 47 -8.125 -10.591 0.822 1.00 0.00 C ATOM 663 O GLN A 47 -7.021 -10.515 1.358 1.00 0.00 O ATOM 664 CB GLN A 47 -9.890 -12.113 1.785 1.00 0.00 C ATOM 665 CG GLN A 47 -9.465 -12.733 3.118 1.00 0.00 C ATOM 666 CD GLN A 47 -9.940 -14.184 3.224 1.00 0.00 C ATOM 667 OE1 GLN A 47 -10.830 -14.626 2.517 1.00 0.00 O ATOM 668 NE2 GLN A 47 -9.299 -14.897 4.146 1.00 0.00 N ATOM 0 H GLN A 47 -10.995 -10.241 0.383 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.163 -10.319 2.674 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -10.976 -12.138 1.698 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -9.491 -12.705 0.961 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -8.380 -12.694 3.212 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -9.877 -12.151 3.942 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -8.563 -14.465 4.704 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -9.544 -15.876 4.295 1.00 0.00 H new ATOM 677 N ALA A 48 -8.324 -10.610 -0.488 1.00 0.00 N ATOM 678 CA ALA A 48 -7.207 -10.542 -1.415 1.00 0.00 C ATOM 679 C ALA A 48 -6.226 -9.466 -0.946 1.00 0.00 C ATOM 680 O ALA A 48 -5.013 -9.667 -0.986 1.00 0.00 O ATOM 681 CB ALA A 48 -7.732 -10.276 -2.828 1.00 0.00 C ATOM 0 H ALA A 48 -9.242 -10.671 -0.929 1.00 0.00 H new ATOM 0 HA ALA A 48 -6.670 -11.490 -1.439 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.894 -10.225 -3.524 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -8.402 -11.083 -3.125 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.274 -9.330 -2.843 1.00 0.00 H new ATOM 687 N PHE A 49 -6.787 -8.347 -0.512 1.00 0.00 N ATOM 688 CA PHE A 49 -5.976 -7.239 -0.035 1.00 0.00 C ATOM 689 C PHE A 49 -5.696 -7.369 1.463 1.00 0.00 C ATOM 690 O PHE A 49 -6.049 -6.486 2.243 1.00 0.00 O ATOM 691 CB PHE A 49 -6.777 -5.960 -0.283 1.00 0.00 C ATOM 692 CG PHE A 49 -6.972 -5.625 -1.763 1.00 0.00 C ATOM 693 CD1 PHE A 49 -5.929 -5.150 -2.496 1.00 0.00 C ATOM 694 CD2 PHE A 49 -8.188 -5.801 -2.346 1.00 0.00 C ATOM 695 CE1 PHE A 49 -6.110 -4.839 -3.870 1.00 0.00 C ATOM 696 CE2 PHE A 49 -8.369 -5.490 -3.720 1.00 0.00 C ATOM 697 CZ PHE A 49 -7.326 -5.016 -4.453 1.00 0.00 C ATOM 0 H PHE A 49 -7.793 -8.183 -0.481 1.00 0.00 H new ATOM 0 HA PHE A 49 -5.019 -7.227 -0.556 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.755 -6.059 0.188 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -6.271 -5.126 0.204 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.963 -5.009 -2.033 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -9.016 -6.177 -1.764 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -5.282 -4.462 -4.452 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -9.335 -5.630 -4.183 1.00 0.00 H new ATOM 0 HZ PHE A 49 -7.463 -4.780 -5.498 1.00 0.00 H new ATOM 707 N SER A 50 -5.065 -8.478 1.821 1.00 0.00 N ATOM 708 CA SER A 50 -4.734 -8.735 3.212 1.00 0.00 C ATOM 709 C SER A 50 -3.336 -8.197 3.525 1.00 0.00 C ATOM 710 O SER A 50 -2.969 -8.055 4.691 1.00 0.00 O ATOM 711 CB SER A 50 -4.811 -10.230 3.529 1.00 0.00 C ATOM 712 OG SER A 50 -3.792 -10.970 2.863 1.00 0.00 O ATOM 0 H SER A 50 -4.774 -9.209 1.171 1.00 0.00 H new ATOM 0 HA SER A 50 -5.463 -8.220 3.838 1.00 0.00 H new ATOM 0 HB2 SER A 50 -4.721 -10.377 4.605 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.788 -10.613 3.235 1.00 0.00 H new ATOM 0 HG SER A 50 -3.874 -11.919 3.092 1.00 0.00 H new ATOM 718 N PHE A 51 -2.595 -7.913 2.465 1.00 0.00 N ATOM 719 CA PHE A 51 -1.246 -7.394 2.612 1.00 0.00 C ATOM 720 C PHE A 51 -1.264 -5.973 3.177 1.00 0.00 C ATOM 721 O PHE A 51 -0.214 -5.410 3.484 1.00 0.00 O ATOM 722 CB PHE A 51 -0.622 -7.367 1.215 1.00 0.00 C ATOM 723 CG PHE A 51 -1.336 -6.437 0.232 1.00 0.00 C ATOM 724 CD1 PHE A 51 -1.068 -5.104 0.240 1.00 0.00 C ATOM 725 CD2 PHE A 51 -2.240 -6.944 -0.649 1.00 0.00 C ATOM 726 CE1 PHE A 51 -1.731 -4.241 -0.672 1.00 0.00 C ATOM 727 CE2 PHE A 51 -2.903 -6.080 -1.561 1.00 0.00 C ATOM 728 CZ PHE A 51 -2.634 -4.747 -1.553 1.00 0.00 C ATOM 0 H PHE A 51 -2.903 -8.032 1.500 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.679 -8.022 3.299 1.00 0.00 H new ATOM 0 HB2 PHE A 51 0.420 -7.058 1.300 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -0.623 -8.378 0.808 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -0.351 -4.702 0.940 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.453 -8.003 -0.655 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -1.518 -3.182 -0.666 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.621 -6.482 -2.261 1.00 0.00 H new ATOM 0 HZ PHE A 51 -3.138 -4.090 -2.247 1.00 0.00 H new ATOM 738 N LEU A 52 -2.468 -5.433 3.297 1.00 0.00 N ATOM 739 CA LEU A 52 -2.636 -4.088 3.820 1.00 0.00 C ATOM 740 C LEU A 52 -2.760 -4.149 5.343 1.00 0.00 C ATOM 741 O LEU A 52 -2.580 -3.141 6.025 1.00 0.00 O ATOM 742 CB LEU A 52 -3.814 -3.390 3.135 1.00 0.00 C ATOM 743 CG LEU A 52 -3.675 -3.164 1.628 1.00 0.00 C ATOM 744 CD1 LEU A 52 -5.008 -2.733 1.014 1.00 0.00 C ATOM 745 CD2 LEU A 52 -2.555 -2.167 1.324 1.00 0.00 C ATOM 0 H LEU A 52 -3.336 -5.903 3.041 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.760 -3.480 3.595 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.713 -3.980 3.313 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.967 -2.423 3.615 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.398 -4.111 1.164 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.882 -2.579 -0.058 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.755 -3.509 1.184 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -5.339 -1.804 1.478 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.477 -2.024 0.246 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.778 -1.213 1.801 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.611 -2.553 1.708 1.00 0.00 H new ATOM 757 N TYR A 53 -3.065 -5.342 5.833 1.00 0.00 N ATOM 758 CA TYR A 53 -3.215 -5.548 7.263 1.00 0.00 C ATOM 759 C TYR A 53 -2.216 -6.589 7.775 1.00 0.00 C ATOM 760 O TYR A 53 -2.594 -7.521 8.482 1.00 0.00 O ATOM 761 CB TYR A 53 -4.635 -6.078 7.467 1.00 0.00 C ATOM 762 CG TYR A 53 -5.669 -5.470 6.517 1.00 0.00 C ATOM 763 CD1 TYR A 53 -5.926 -4.115 6.554 1.00 0.00 C ATOM 764 CD2 TYR A 53 -6.344 -6.276 5.623 1.00 0.00 C ATOM 765 CE1 TYR A 53 -6.899 -3.542 5.660 1.00 0.00 C ATOM 766 CE2 TYR A 53 -7.317 -5.704 4.729 1.00 0.00 C ATOM 767 CZ TYR A 53 -7.546 -4.364 4.792 1.00 0.00 C ATOM 768 OH TYR A 53 -8.465 -3.824 3.948 1.00 0.00 O ATOM 0 H TYR A 53 -3.212 -6.176 5.264 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.034 -4.620 7.805 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -4.630 -7.160 7.337 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -4.941 -5.881 8.495 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -5.398 -3.484 7.253 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -6.142 -7.337 5.594 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -7.110 -2.483 5.679 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -7.852 -6.324 4.025 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.575 -4.407 3.168 1.00 0.00 H new ATOM 778 N ASP A 54 -0.961 -6.394 7.397 1.00 0.00 N ATOM 779 CA ASP A 54 0.094 -7.304 7.808 1.00 0.00 C ATOM 780 C ASP A 54 1.443 -6.761 7.334 1.00 0.00 C ATOM 781 O ASP A 54 1.799 -6.907 6.165 1.00 0.00 O ATOM 782 CB ASP A 54 -0.102 -8.689 7.190 1.00 0.00 C ATOM 783 CG ASP A 54 0.825 -9.778 7.736 1.00 0.00 C ATOM 784 OD1 ASP A 54 1.640 -9.438 8.620 1.00 0.00 O ATOM 785 OD2 ASP A 54 0.697 -10.925 7.257 1.00 0.00 O ATOM 0 H ASP A 54 -0.651 -5.619 6.811 1.00 0.00 H new ATOM 0 HA ASP A 54 0.064 -7.387 8.894 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.135 -8.999 7.349 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.046 -8.614 6.113 1.00 0.00 H new ATOM 790 N PRO A 55 2.177 -6.129 8.289 1.00 0.00 N ATOM 791 CA PRO A 55 3.479 -5.563 7.980 1.00 0.00 C ATOM 792 C PRO A 55 4.536 -6.661 7.846 1.00 0.00 C ATOM 793 O PRO A 55 5.461 -6.543 7.044 1.00 0.00 O ATOM 794 CB PRO A 55 3.768 -4.597 9.118 1.00 0.00 C ATOM 795 CG PRO A 55 2.838 -4.998 10.252 1.00 0.00 C ATOM 796 CD PRO A 55 1.787 -5.937 9.683 1.00 0.00 C ATOM 0 HA PRO A 55 3.496 -5.045 7.021 1.00 0.00 H new ATOM 0 HB2 PRO A 55 4.811 -4.660 9.428 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.588 -3.567 8.811 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.397 -5.489 11.049 1.00 0.00 H new ATOM 0 HG3 PRO A 55 2.367 -4.117 10.689 1.00 0.00 H new ATOM 0 HD2 PRO A 55 1.768 -6.884 10.223 1.00 0.00 H new ATOM 0 HD3 PRO A 55 0.789 -5.507 9.759 1.00 0.00 H new ATOM 804 N ASN A 56 4.363 -7.705 8.644 1.00 0.00 N ATOM 805 CA ASN A 56 5.291 -8.823 8.625 1.00 0.00 C ATOM 806 C ASN A 56 5.484 -9.295 7.183 1.00 0.00 C ATOM 807 O ASN A 56 6.604 -9.586 6.765 1.00 0.00 O ATOM 808 CB ASN A 56 4.751 -10.000 9.440 1.00 0.00 C ATOM 809 CG ASN A 56 5.752 -11.157 9.461 1.00 0.00 C ATOM 810 OD1 ASN A 56 6.877 -11.048 9.000 1.00 0.00 O ATOM 811 ND2 ASN A 56 5.282 -12.269 10.019 1.00 0.00 N ATOM 0 H ASN A 56 3.594 -7.800 9.308 1.00 0.00 H new ATOM 0 HA ASN A 56 6.233 -8.487 9.057 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.543 -9.676 10.460 1.00 0.00 H new ATOM 0 HB3 ASN A 56 3.807 -10.339 9.014 1.00 0.00 H new ATOM 0 HD21 ASN A 56 5.873 -13.098 10.080 1.00 0.00 H new ATOM 0 HD22 ASN A 56 4.330 -12.293 10.386 1.00 0.00 H new ATOM 818 N SER A 57 4.374 -9.357 6.461 1.00 0.00 N ATOM 819 CA SER A 57 4.407 -9.789 5.074 1.00 0.00 C ATOM 820 C SER A 57 5.177 -8.773 4.227 1.00 0.00 C ATOM 821 O SER A 57 5.387 -7.638 4.652 1.00 0.00 O ATOM 822 CB SER A 57 2.993 -9.976 4.522 1.00 0.00 C ATOM 823 OG SER A 57 2.841 -11.227 3.855 1.00 0.00 O ATOM 0 H SER A 57 3.447 -9.115 6.811 1.00 0.00 H new ATOM 0 HA SER A 57 4.917 -10.751 5.028 1.00 0.00 H new ATOM 0 HB2 SER A 57 2.274 -9.911 5.338 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.764 -9.166 3.830 1.00 0.00 H new ATOM 0 HG SER A 57 1.924 -11.309 3.519 1.00 0.00 H new ATOM 829 N GLN A 58 5.577 -9.218 3.045 1.00 0.00 N ATOM 830 CA GLN A 58 6.319 -8.362 2.136 1.00 0.00 C ATOM 831 C GLN A 58 5.359 -7.485 1.330 1.00 0.00 C ATOM 832 O GLN A 58 5.746 -6.426 0.837 1.00 0.00 O ATOM 833 CB GLN A 58 7.213 -9.190 1.210 1.00 0.00 C ATOM 834 CG GLN A 58 8.181 -10.060 2.015 1.00 0.00 C ATOM 835 CD GLN A 58 9.291 -9.211 2.638 1.00 0.00 C ATOM 836 OE1 GLN A 58 9.049 -8.263 3.366 1.00 0.00 O ATOM 837 NE2 GLN A 58 10.519 -9.605 2.313 1.00 0.00 N ATOM 0 H GLN A 58 5.401 -10.160 2.696 1.00 0.00 H new ATOM 0 HA GLN A 58 6.965 -7.712 2.726 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.595 -9.822 0.572 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.775 -8.527 0.553 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.637 -10.586 2.799 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.619 -10.819 1.367 1.00 0.00 H new ATOM 0 HE21 GLN A 58 10.651 -10.408 1.698 1.00 0.00 H new ATOM 0 HE22 GLN A 58 11.329 -9.104 2.679 1.00 0.00 H new ATOM 846 N GLY A 59 4.126 -7.957 1.222 1.00 0.00 N ATOM 847 CA GLY A 59 3.108 -7.229 0.485 1.00 0.00 C ATOM 848 C GLY A 59 2.968 -5.798 1.010 1.00 0.00 C ATOM 849 O GLY A 59 3.074 -4.840 0.247 1.00 0.00 O ATOM 0 H GLY A 59 3.809 -8.835 1.633 1.00 0.00 H new ATOM 0 HA2 GLY A 59 3.366 -7.208 -0.574 1.00 0.00 H new ATOM 0 HA3 GLY A 59 2.152 -7.746 0.570 1.00 0.00 H new ATOM 853 N TYR A 60 2.732 -5.700 2.310 1.00 0.00 N ATOM 854 CA TYR A 60 2.577 -4.403 2.947 1.00 0.00 C ATOM 855 C TYR A 60 3.780 -3.504 2.659 1.00 0.00 C ATOM 856 O TYR A 60 3.617 -2.357 2.245 1.00 0.00 O ATOM 857 CB TYR A 60 2.508 -4.677 4.451 1.00 0.00 C ATOM 858 CG TYR A 60 2.405 -3.415 5.309 1.00 0.00 C ATOM 859 CD1 TYR A 60 3.537 -2.676 5.588 1.00 0.00 C ATOM 860 CD2 TYR A 60 1.181 -3.015 5.804 1.00 0.00 C ATOM 861 CE1 TYR A 60 3.441 -1.488 6.396 1.00 0.00 C ATOM 862 CE2 TYR A 60 1.084 -1.827 6.612 1.00 0.00 C ATOM 863 CZ TYR A 60 2.219 -1.122 6.868 1.00 0.00 C ATOM 864 OH TYR A 60 2.128 0.000 7.631 1.00 0.00 O ATOM 0 H TYR A 60 2.644 -6.498 2.940 1.00 0.00 H new ATOM 0 HA TYR A 60 1.687 -3.896 2.574 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.647 -5.314 4.655 1.00 0.00 H new ATOM 0 HB3 TYR A 60 3.395 -5.235 4.749 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.495 -2.989 5.200 1.00 0.00 H new ATOM 0 HD2 TYR A 60 0.295 -3.593 5.585 1.00 0.00 H new ATOM 0 HE1 TYR A 60 4.319 -0.901 6.622 1.00 0.00 H new ATOM 0 HE2 TYR A 60 0.132 -1.503 7.006 1.00 0.00 H new ATOM 0 HH TYR A 60 1.195 0.140 7.897 1.00 0.00 H new ATOM 874 N ARG A 61 4.961 -4.057 2.890 1.00 0.00 N ATOM 875 CA ARG A 61 6.192 -3.319 2.660 1.00 0.00 C ATOM 876 C ARG A 61 6.284 -2.883 1.196 1.00 0.00 C ATOM 877 O ARG A 61 6.270 -1.690 0.898 1.00 0.00 O ATOM 878 CB ARG A 61 7.416 -4.167 3.011 1.00 0.00 C ATOM 879 CG ARG A 61 7.465 -4.465 4.511 1.00 0.00 C ATOM 880 CD ARG A 61 8.226 -5.763 4.787 1.00 0.00 C ATOM 881 NE ARG A 61 8.033 -6.173 6.196 1.00 0.00 N ATOM 882 CZ ARG A 61 8.757 -5.705 7.221 1.00 0.00 C ATOM 883 NH1 ARG A 61 9.728 -4.808 7.001 1.00 0.00 N ATOM 884 NH2 ARG A 61 8.511 -6.134 8.466 1.00 0.00 N ATOM 0 H ARG A 61 5.092 -5.008 3.234 1.00 0.00 H new ATOM 0 HA ARG A 61 6.177 -2.440 3.304 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.387 -5.102 2.452 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.324 -3.644 2.711 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.946 -3.639 5.034 1.00 0.00 H new ATOM 0 HG3 ARG A 61 6.451 -4.543 4.903 1.00 0.00 H new ATOM 0 HD2 ARG A 61 7.874 -6.549 4.119 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.287 -5.622 4.583 1.00 0.00 H new ATOM 0 HE ARG A 61 7.302 -6.855 6.399 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.916 -4.482 6.053 1.00 0.00 H new ATOM 0 HH12 ARG A 61 10.279 -4.452 7.782 1.00 0.00 H new ATOM 0 HH21 ARG A 61 7.772 -6.817 8.633 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.062 -5.778 9.247 1.00 0.00 H new ATOM 898 N TYR A 62 6.376 -3.874 0.322 1.00 0.00 N ATOM 899 CA TYR A 62 6.471 -3.608 -1.104 1.00 0.00 C ATOM 900 C TYR A 62 5.398 -2.612 -1.548 1.00 0.00 C ATOM 901 O TYR A 62 5.634 -1.794 -2.436 1.00 0.00 O ATOM 902 CB TYR A 62 6.225 -4.948 -1.800 1.00 0.00 C ATOM 903 CG TYR A 62 5.813 -4.820 -3.268 1.00 0.00 C ATOM 904 CD1 TYR A 62 4.558 -4.348 -3.593 1.00 0.00 C ATOM 905 CD2 TYR A 62 6.696 -5.178 -4.266 1.00 0.00 C ATOM 906 CE1 TYR A 62 4.169 -4.228 -4.974 1.00 0.00 C ATOM 907 CE2 TYR A 62 6.307 -5.058 -5.648 1.00 0.00 C ATOM 908 CZ TYR A 62 5.063 -4.588 -5.933 1.00 0.00 C ATOM 909 OH TYR A 62 4.696 -4.475 -7.238 1.00 0.00 O ATOM 0 H TYR A 62 6.387 -4.863 0.573 1.00 0.00 H new ATOM 0 HA TYR A 62 7.443 -3.181 -1.351 1.00 0.00 H new ATOM 0 HB2 TYR A 62 7.132 -5.549 -1.739 1.00 0.00 H new ATOM 0 HB3 TYR A 62 5.447 -5.489 -1.261 1.00 0.00 H new ATOM 0 HD1 TYR A 62 3.867 -4.068 -2.811 1.00 0.00 H new ATOM 0 HD2 TYR A 62 7.678 -5.548 -4.011 1.00 0.00 H new ATOM 0 HE1 TYR A 62 3.189 -3.860 -5.242 1.00 0.00 H new ATOM 0 HE2 TYR A 62 6.988 -5.335 -6.439 1.00 0.00 H new ATOM 0 HH TYR A 62 4.136 -5.240 -7.488 1.00 0.00 H new ATOM 919 N TYR A 63 4.241 -2.714 -0.910 1.00 0.00 N ATOM 920 CA TYR A 63 3.131 -1.832 -1.228 1.00 0.00 C ATOM 921 C TYR A 63 3.432 -0.395 -0.800 1.00 0.00 C ATOM 922 O TYR A 63 3.382 0.523 -1.618 1.00 0.00 O ATOM 923 CB TYR A 63 1.936 -2.351 -0.424 1.00 0.00 C ATOM 924 CG TYR A 63 0.866 -1.293 -0.147 1.00 0.00 C ATOM 925 CD1 TYR A 63 -0.149 -1.083 -1.058 1.00 0.00 C ATOM 926 CD2 TYR A 63 0.916 -0.549 1.014 1.00 0.00 C ATOM 927 CE1 TYR A 63 -1.156 -0.087 -0.797 1.00 0.00 C ATOM 928 CE2 TYR A 63 -0.091 0.447 1.275 1.00 0.00 C ATOM 929 CZ TYR A 63 -1.077 0.628 0.357 1.00 0.00 C ATOM 930 OH TYR A 63 -2.028 1.569 0.603 1.00 0.00 O ATOM 0 H TYR A 63 4.048 -3.394 -0.174 1.00 0.00 H new ATOM 0 HA TYR A 63 2.942 -1.825 -2.301 1.00 0.00 H new ATOM 0 HB2 TYR A 63 1.481 -3.181 -0.964 1.00 0.00 H new ATOM 0 HB3 TYR A 63 2.295 -2.748 0.526 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -0.188 -1.665 -1.967 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.710 -0.714 1.727 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -1.956 0.088 -1.502 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -0.063 1.037 2.179 1.00 0.00 H new ATOM 0 HH TYR A 63 -1.846 2.001 1.464 1.00 0.00 H new ATOM 940 N ARG A 64 3.739 -0.244 0.480 1.00 0.00 N ATOM 941 CA ARG A 64 4.048 1.067 1.026 1.00 0.00 C ATOM 942 C ARG A 64 5.064 1.786 0.136 1.00 0.00 C ATOM 943 O ARG A 64 4.851 2.932 -0.255 1.00 0.00 O ATOM 944 CB ARG A 64 4.612 0.953 2.444 1.00 0.00 C ATOM 945 CG ARG A 64 3.521 1.195 3.488 1.00 0.00 C ATOM 946 CD ARG A 64 3.581 2.628 4.022 1.00 0.00 C ATOM 947 NE ARG A 64 4.873 2.859 4.707 1.00 0.00 N ATOM 948 CZ ARG A 64 5.128 3.915 5.492 1.00 0.00 C ATOM 949 NH1 ARG A 64 4.183 4.841 5.697 1.00 0.00 N ATOM 950 NH2 ARG A 64 6.329 4.043 6.072 1.00 0.00 N ATOM 0 H ARG A 64 3.780 -1.008 1.155 1.00 0.00 H new ATOM 0 HA ARG A 64 3.121 1.640 1.061 1.00 0.00 H new ATOM 0 HB2 ARG A 64 5.046 -0.037 2.588 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.416 1.676 2.579 1.00 0.00 H new ATOM 0 HG2 ARG A 64 2.542 1.008 3.046 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.638 0.491 4.312 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.463 3.336 3.202 1.00 0.00 H new ATOM 0 HD3 ARG A 64 2.757 2.802 4.714 1.00 0.00 H new ATOM 0 HE ARG A 64 5.615 2.172 4.573 1.00 0.00 H new ATOM 0 HH11 ARG A 64 3.269 4.743 5.256 1.00 0.00 H new ATOM 0 HH12 ARG A 64 4.377 5.644 6.294 1.00 0.00 H new ATOM 0 HH21 ARG A 64 7.049 3.337 5.916 1.00 0.00 H new ATOM 0 HH22 ARG A 64 6.524 4.846 6.670 1.00 0.00 H new ATOM 964 N GLN A 65 6.148 1.082 -0.158 1.00 0.00 N ATOM 965 CA GLN A 65 7.198 1.639 -0.994 1.00 0.00 C ATOM 966 C GLN A 65 6.594 2.293 -2.239 1.00 0.00 C ATOM 967 O GLN A 65 6.811 3.477 -2.491 1.00 0.00 O ATOM 968 CB GLN A 65 8.219 0.567 -1.378 1.00 0.00 C ATOM 969 CG GLN A 65 9.603 1.183 -1.600 1.00 0.00 C ATOM 970 CD GLN A 65 10.703 0.132 -1.435 1.00 0.00 C ATOM 971 OE1 GLN A 65 10.817 -0.530 -0.417 1.00 0.00 O ATOM 972 NE2 GLN A 65 11.503 0.018 -2.491 1.00 0.00 N ATOM 0 H GLN A 65 6.321 0.131 0.168 1.00 0.00 H new ATOM 0 HA GLN A 65 7.723 2.405 -0.423 1.00 0.00 H new ATOM 0 HB2 GLN A 65 8.274 -0.186 -0.592 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.894 0.058 -2.285 1.00 0.00 H new ATOM 0 HG2 GLN A 65 9.656 1.617 -2.599 1.00 0.00 H new ATOM 0 HG3 GLN A 65 9.762 1.995 -0.891 1.00 0.00 H new ATOM 0 HE21 GLN A 65 11.351 0.604 -3.312 1.00 0.00 H new ATOM 0 HE22 GLN A 65 12.269 -0.656 -2.480 1.00 0.00 H new ATOM 981 N LYS A 66 5.847 1.492 -2.985 1.00 0.00 N ATOM 982 CA LYS A 66 5.211 1.977 -4.198 1.00 0.00 C ATOM 983 C LYS A 66 4.457 3.272 -3.890 1.00 0.00 C ATOM 984 O LYS A 66 4.638 4.278 -4.575 1.00 0.00 O ATOM 985 CB LYS A 66 4.333 0.887 -4.815 1.00 0.00 C ATOM 986 CG LYS A 66 5.179 -0.124 -5.592 1.00 0.00 C ATOM 987 CD LYS A 66 5.585 0.434 -6.957 1.00 0.00 C ATOM 988 CE LYS A 66 6.602 -0.480 -7.644 1.00 0.00 C ATOM 989 NZ LYS A 66 6.552 -0.301 -9.112 1.00 0.00 N ATOM 0 H LYS A 66 5.668 0.511 -2.773 1.00 0.00 H new ATOM 0 HA LYS A 66 5.961 2.215 -4.952 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.778 0.374 -4.030 1.00 0.00 H new ATOM 0 HB3 LYS A 66 3.599 1.340 -5.481 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.071 -0.374 -5.018 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.616 -1.048 -5.726 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.702 0.540 -7.587 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.011 1.430 -6.834 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.605 -0.258 -7.279 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.394 -1.520 -7.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.248 -0.929 -9.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.600 -0.536 -9.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.773 0.687 -9.349 1.00 0.00 H new ATOM 1003 N LEU A 67 3.628 3.206 -2.858 1.00 0.00 N ATOM 1004 CA LEU A 67 2.846 4.361 -2.451 1.00 0.00 C ATOM 1005 C LEU A 67 3.757 5.588 -2.380 1.00 0.00 C ATOM 1006 O LEU A 67 3.634 6.505 -3.192 1.00 0.00 O ATOM 1007 CB LEU A 67 2.102 4.071 -1.146 1.00 0.00 C ATOM 1008 CG LEU A 67 0.828 4.884 -0.906 1.00 0.00 C ATOM 1009 CD1 LEU A 67 -0.180 4.671 -2.037 1.00 0.00 C ATOM 1010 CD2 LEU A 67 0.227 4.568 0.465 1.00 0.00 C ATOM 0 H LEU A 67 3.481 2.370 -2.292 1.00 0.00 H new ATOM 0 HA LEU A 67 2.074 4.578 -3.189 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.843 3.012 -1.126 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.784 4.248 -0.315 1.00 0.00 H new ATOM 0 HG LEU A 67 1.092 5.941 -0.906 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.076 5.260 -1.842 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.262 4.986 -2.982 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.445 3.615 -2.094 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.677 5.159 0.611 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.020 3.508 0.518 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.949 4.812 1.244 1.00 0.00 H new ATOM 1022 N ASP A 68 4.650 5.567 -1.402 1.00 0.00 N ATOM 1023 CA ASP A 68 5.581 6.667 -1.215 1.00 0.00 C ATOM 1024 C ASP A 68 6.228 7.016 -2.557 1.00 0.00 C ATOM 1025 O ASP A 68 6.455 8.188 -2.854 1.00 0.00 O ATOM 1026 CB ASP A 68 6.695 6.285 -0.238 1.00 0.00 C ATOM 1027 CG ASP A 68 7.202 7.428 0.643 1.00 0.00 C ATOM 1028 OD1 ASP A 68 6.341 8.108 1.242 1.00 0.00 O ATOM 1029 OD2 ASP A 68 8.440 7.596 0.698 1.00 0.00 O ATOM 0 H ASP A 68 4.749 4.806 -0.730 1.00 0.00 H new ATOM 0 HA ASP A 68 5.025 7.515 -0.815 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.334 5.483 0.406 1.00 0.00 H new ATOM 0 HB3 ASP A 68 7.534 5.884 -0.806 1.00 0.00 H new ATOM 1034 N GLU A 69 6.506 5.978 -3.331 1.00 0.00 N ATOM 1035 CA GLU A 69 7.122 6.161 -4.635 1.00 0.00 C ATOM 1036 C GLU A 69 6.360 7.217 -5.438 1.00 0.00 C ATOM 1037 O GLU A 69 6.923 8.246 -5.808 1.00 0.00 O ATOM 1038 CB GLU A 69 7.193 4.837 -5.398 1.00 0.00 C ATOM 1039 CG GLU A 69 8.521 4.706 -6.146 1.00 0.00 C ATOM 1040 CD GLU A 69 8.666 5.803 -7.202 1.00 0.00 C ATOM 1041 OE1 GLU A 69 7.620 6.188 -7.768 1.00 0.00 O ATOM 1042 OE2 GLU A 69 9.820 6.232 -7.421 1.00 0.00 O ATOM 0 H GLU A 69 6.316 5.007 -3.081 1.00 0.00 H new ATOM 0 HA GLU A 69 8.143 6.512 -4.487 1.00 0.00 H new ATOM 0 HB2 GLU A 69 7.080 4.006 -4.702 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.366 4.776 -6.105 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.348 4.766 -5.439 1.00 0.00 H new ATOM 0 HG3 GLU A 69 8.579 3.727 -6.623 1.00 0.00 H new ATOM 1049 N PHE A 70 5.092 6.925 -5.686 1.00 0.00 N ATOM 1050 CA PHE A 70 4.248 7.836 -6.439 1.00 0.00 C ATOM 1051 C PHE A 70 3.888 9.067 -5.604 1.00 0.00 C ATOM 1052 O PHE A 70 4.056 10.199 -6.056 1.00 0.00 O ATOM 1053 CB PHE A 70 2.965 7.076 -6.784 1.00 0.00 C ATOM 1054 CG PHE A 70 3.203 5.653 -7.291 1.00 0.00 C ATOM 1055 CD1 PHE A 70 4.414 5.307 -7.804 1.00 0.00 C ATOM 1056 CD2 PHE A 70 2.203 4.733 -7.228 1.00 0.00 C ATOM 1057 CE1 PHE A 70 4.635 3.985 -8.274 1.00 0.00 C ATOM 1058 CE2 PHE A 70 2.424 3.411 -7.698 1.00 0.00 C ATOM 1059 CZ PHE A 70 3.635 3.065 -8.211 1.00 0.00 C ATOM 0 H PHE A 70 4.629 6.070 -5.379 1.00 0.00 H new ATOM 0 HA PHE A 70 4.772 8.176 -7.332 1.00 0.00 H new ATOM 0 HB2 PHE A 70 2.330 7.034 -5.899 1.00 0.00 H new ATOM 0 HB3 PHE A 70 2.417 7.634 -7.543 1.00 0.00 H new ATOM 0 HD1 PHE A 70 5.208 6.038 -7.854 1.00 0.00 H new ATOM 0 HD2 PHE A 70 1.241 5.008 -6.821 1.00 0.00 H new ATOM 0 HE1 PHE A 70 5.597 3.710 -8.681 1.00 0.00 H new ATOM 0 HE2 PHE A 70 1.630 2.680 -7.648 1.00 0.00 H new ATOM 0 HZ PHE A 70 3.803 2.060 -8.568 1.00 0.00 H new ATOM 1069 N ARG A 71 3.400 8.804 -4.401 1.00 0.00 N ATOM 1070 CA ARG A 71 3.015 9.877 -3.499 1.00 0.00 C ATOM 1071 C ARG A 71 4.035 11.016 -3.564 1.00 0.00 C ATOM 1072 O ARG A 71 3.704 12.127 -3.977 1.00 0.00 O ATOM 1073 CB ARG A 71 2.914 9.374 -2.057 1.00 0.00 C ATOM 1074 CG ARG A 71 1.633 8.563 -1.848 1.00 0.00 C ATOM 1075 CD ARG A 71 1.145 8.672 -0.402 1.00 0.00 C ATOM 1076 NE ARG A 71 -0.314 8.916 -0.378 1.00 0.00 N ATOM 1077 CZ ARG A 71 -0.997 9.282 0.716 1.00 0.00 C ATOM 1078 NH1 ARG A 71 -0.356 9.448 1.881 1.00 0.00 N ATOM 1079 NH2 ARG A 71 -2.320 9.482 0.645 1.00 0.00 N ATOM 0 H ARG A 71 3.262 7.864 -4.030 1.00 0.00 H new ATOM 0 HA ARG A 71 2.037 10.241 -3.814 1.00 0.00 H new ATOM 0 HB2 ARG A 71 3.782 8.758 -1.821 1.00 0.00 H new ATOM 0 HB3 ARG A 71 2.929 10.221 -1.371 1.00 0.00 H new ATOM 0 HG2 ARG A 71 0.857 8.921 -2.525 1.00 0.00 H new ATOM 0 HG3 ARG A 71 1.816 7.517 -2.096 1.00 0.00 H new ATOM 0 HD2 ARG A 71 1.378 7.755 0.139 1.00 0.00 H new ATOM 0 HD3 ARG A 71 1.666 9.483 0.106 1.00 0.00 H new ATOM 0 HE ARG A 71 -0.833 8.798 -1.248 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.651 9.296 1.935 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -0.875 9.726 2.714 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -2.808 9.356 -0.242 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -2.839 9.760 1.478 1.00 0.00 H new ATOM 1093 N LYS A 72 5.253 10.702 -3.149 1.00 0.00 N ATOM 1094 CA LYS A 72 6.323 11.685 -3.155 1.00 0.00 C ATOM 1095 C LYS A 72 5.937 12.856 -2.249 1.00 0.00 C ATOM 1096 O LYS A 72 5.252 13.781 -2.682 1.00 0.00 O ATOM 1097 CB LYS A 72 6.660 12.101 -4.588 1.00 0.00 C ATOM 1098 CG LYS A 72 7.741 11.196 -5.182 1.00 0.00 C ATOM 1099 CD LYS A 72 7.703 11.227 -6.711 1.00 0.00 C ATOM 1100 CE LYS A 72 9.115 11.314 -7.293 1.00 0.00 C ATOM 1101 NZ LYS A 72 9.080 11.158 -8.765 1.00 0.00 N ATOM 0 H LYS A 72 5.523 9.780 -2.806 1.00 0.00 H new ATOM 0 HA LYS A 72 7.239 11.255 -2.749 1.00 0.00 H new ATOM 0 HB2 LYS A 72 5.762 12.054 -5.205 1.00 0.00 H new ATOM 0 HB3 LYS A 72 7.001 13.136 -4.599 1.00 0.00 H new ATOM 0 HG2 LYS A 72 8.722 11.518 -4.833 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.597 10.174 -4.832 1.00 0.00 H new ATOM 0 HD2 LYS A 72 7.207 10.331 -7.084 1.00 0.00 H new ATOM 0 HD3 LYS A 72 7.114 12.081 -7.046 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.563 12.273 -7.034 1.00 0.00 H new ATOM 0 HE3 LYS A 72 9.744 10.539 -6.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 10.047 11.220 -9.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 8.672 10.232 -9.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.497 11.912 -9.180 1.00 0.00 H new ATOM 1115 N SER A 73 6.395 12.778 -1.008 1.00 0.00 N ATOM 1116 CA SER A 73 6.107 13.821 -0.037 1.00 0.00 C ATOM 1117 C SER A 73 4.598 13.912 0.200 1.00 0.00 C ATOM 1118 O SER A 73 3.813 13.315 -0.535 1.00 0.00 O ATOM 1119 CB SER A 73 6.654 15.172 -0.501 1.00 0.00 C ATOM 1120 OG SER A 73 7.687 15.652 0.355 1.00 0.00 O ATOM 0 H SER A 73 6.963 12.009 -0.652 1.00 0.00 H new ATOM 0 HA SER A 73 6.601 13.563 0.900 1.00 0.00 H new ATOM 0 HB2 SER A 73 7.039 15.078 -1.516 1.00 0.00 H new ATOM 0 HB3 SER A 73 5.843 15.900 -0.534 1.00 0.00 H new ATOM 0 HG SER A 73 8.011 16.516 0.024 1.00 0.00 H new ATOM 1126 N GLY A 74 4.238 14.664 1.229 1.00 0.00 N ATOM 1127 CA GLY A 74 2.837 14.842 1.573 1.00 0.00 C ATOM 1128 C GLY A 74 2.644 16.061 2.477 1.00 0.00 C ATOM 1129 O GLY A 74 2.829 15.974 3.690 1.00 0.00 O ATOM 0 H GLY A 74 4.892 15.158 1.836 1.00 0.00 H new ATOM 0 HA2 GLY A 74 2.248 14.963 0.664 1.00 0.00 H new ATOM 0 HA3 GLY A 74 2.466 13.949 2.077 1.00 0.00 H new ATOM 1133 N PRO A 75 2.265 17.198 1.835 1.00 0.00 N ATOM 1134 CA PRO A 75 2.045 18.433 2.568 1.00 0.00 C ATOM 1135 C PRO A 75 0.724 18.386 3.337 1.00 0.00 C ATOM 1136 O PRO A 75 -0.343 18.255 2.739 1.00 0.00 O ATOM 1137 CB PRO A 75 2.080 19.528 1.514 1.00 0.00 C ATOM 1138 CG PRO A 75 1.854 18.831 0.182 1.00 0.00 C ATOM 1139 CD PRO A 75 2.037 17.338 0.400 1.00 0.00 C ATOM 0 HA PRO A 75 2.803 18.609 3.332 1.00 0.00 H new ATOM 0 HB2 PRO A 75 1.308 20.274 1.700 1.00 0.00 H new ATOM 0 HB3 PRO A 75 3.037 20.050 1.524 1.00 0.00 H new ATOM 0 HG2 PRO A 75 0.853 19.042 -0.194 1.00 0.00 H new ATOM 0 HG3 PRO A 75 2.559 19.197 -0.565 1.00 0.00 H new ATOM 0 HD2 PRO A 75 1.156 16.781 0.083 1.00 0.00 H new ATOM 0 HD3 PRO A 75 2.880 16.954 -0.174 1.00 0.00 H new ATOM 1147 N SER A 76 0.838 18.496 4.653 1.00 0.00 N ATOM 1148 CA SER A 76 -0.335 18.468 5.510 1.00 0.00 C ATOM 1149 C SER A 76 -0.018 19.132 6.852 1.00 0.00 C ATOM 1150 O SER A 76 0.310 18.452 7.823 1.00 0.00 O ATOM 1151 CB SER A 76 -0.823 17.034 5.730 1.00 0.00 C ATOM 1152 OG SER A 76 -2.040 16.773 5.037 1.00 0.00 O ATOM 0 H SER A 76 1.724 18.605 5.146 1.00 0.00 H new ATOM 0 HA SER A 76 -1.133 19.023 5.016 1.00 0.00 H new ATOM 0 HB2 SER A 76 -0.057 16.335 5.394 1.00 0.00 H new ATOM 0 HB3 SER A 76 -0.968 16.860 6.796 1.00 0.00 H new ATOM 0 HG SER A 76 -2.318 15.848 5.201 1.00 0.00 H new ATOM 1158 N SER A 77 -0.128 20.452 6.863 1.00 0.00 N ATOM 1159 CA SER A 77 0.142 21.215 8.070 1.00 0.00 C ATOM 1160 C SER A 77 1.519 20.846 8.625 1.00 0.00 C ATOM 1161 O SER A 77 1.626 20.029 9.539 1.00 0.00 O ATOM 1162 CB SER A 77 -0.938 20.976 9.127 1.00 0.00 C ATOM 1163 OG SER A 77 -0.855 21.914 10.196 1.00 0.00 O ATOM 0 H SER A 77 -0.400 21.013 6.056 1.00 0.00 H new ATOM 0 HA SER A 77 0.132 22.274 7.814 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.922 21.042 8.662 1.00 0.00 H new ATOM 0 HB3 SER A 77 -0.840 19.965 9.523 1.00 0.00 H new ATOM 0 HG SER A 77 -1.562 21.729 10.849 1.00 0.00 H new ATOM 1169 N GLY A 78 2.540 21.465 8.049 1.00 0.00 N ATOM 1170 CA GLY A 78 3.906 21.211 8.475 1.00 0.00 C ATOM 1171 C GLY A 78 4.331 22.196 9.566 1.00 0.00 C ATOM 1172 O GLY A 78 3.526 22.573 10.416 1.00 0.00 O ATOM 0 H GLY A 78 2.448 22.142 7.291 1.00 0.00 H new ATOM 0 HA2 GLY A 78 3.991 20.190 8.848 1.00 0.00 H new ATOM 0 HA3 GLY A 78 4.579 21.295 7.622 1.00 0.00 H new TER 1176 GLY A 78