USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 656 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 19 LYS NZ :NH3+ 167:sc= -1.61! (180deg=-1.25!) USER MOD Set 1.2: A 21 TYR OH : rot -58:sc= 1.36! USER MOD Set 1.3: A 60 HIS : no HE2:sc= -7.44! C(o=-7.7!,f=-12!) USER MOD Set 2.1: A 43 HIS :FLIP no HD1:sc= -0.804 F(o=-1.7,f=-0.85) USER MOD Set 2.2: A 46 LYS NZ :NH3+ 172:sc= -0.048 (180deg=-0.048) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.645 USER MOD Single : A 13 TYR OH : rot 165:sc= -0.989 USER MOD Single : A 14 LYS NZ :NH3+ -173:sc= -2.12 (180deg=-2.27) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0.387 K(o=0.39,f=-2.7!) USER MOD Single : A 28 MET CE :methyl 174:sc= -1.6 (180deg=-1.9) USER MOD Single : A 33 TYR OH : rot 66:sc= -1.83 USER MOD Single : A 36 SER OG : rot -116:sc= 0.156 USER MOD Single : A 37 LYS NZ :NH3+ -127:sc= -0.666 (180deg=-4.2!) USER MOD Single : A 44 ASN : amide:sc= -3.78! C(o=-3.8!,f=-12!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.105) USER MOD Single : A 56 MET CE :methyl -131:sc= -1.53 (180deg=-3.47!) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 65 THR OG1 : rot 156:sc= -15.8! USER MOD Single : A 71 GLN : amide:sc= -0.267 K(o=-0.27,f=-1.7!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.269 4.728 14.115 1.00 0.00 N ATOM 2 CA MET A 1 5.802 4.956 14.155 1.00 0.00 C ATOM 3 C MET A 1 5.145 4.550 12.839 1.00 0.00 C ATOM 4 O MET A 1 5.725 4.716 11.766 1.00 0.00 O ATOM 5 CB MET A 1 5.547 6.439 14.442 1.00 0.00 C ATOM 6 CG MET A 1 4.811 6.685 15.749 1.00 0.00 C ATOM 7 SD MET A 1 3.662 8.071 15.647 1.00 0.00 S ATOM 8 CE MET A 1 4.599 9.349 16.482 1.00 0.00 C ATOM 0 H1 MET A 1 7.689 5.013 15.023 1.00 0.00 H new ATOM 0 H2 MET A 1 7.459 3.719 13.947 1.00 0.00 H new ATOM 0 H3 MET A 1 7.687 5.292 13.348 1.00 0.00 H new ATOM 0 HA MET A 1 5.364 4.341 14.942 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.501 6.966 14.467 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.969 6.865 13.622 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.264 5.784 16.029 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.536 6.876 16.540 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.019 10.272 16.500 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.813 9.035 17.503 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.536 9.519 15.951 1.00 0.00 H new ATOM 20 N MET A 2 3.932 4.015 12.931 1.00 0.00 N ATOM 21 CA MET A 2 3.193 3.583 11.749 1.00 0.00 C ATOM 22 C MET A 2 2.014 4.513 11.459 1.00 0.00 C ATOM 23 O MET A 2 1.342 4.374 10.436 1.00 0.00 O ATOM 24 CB MET A 2 2.694 2.148 11.933 1.00 0.00 C ATOM 25 CG MET A 2 3.599 1.104 11.298 1.00 0.00 C ATOM 26 SD MET A 2 5.042 0.728 12.311 1.00 0.00 S ATOM 27 CE MET A 2 6.311 0.588 11.053 1.00 0.00 C ATOM 0 H MET A 2 3.439 3.870 13.812 1.00 0.00 H new ATOM 0 HA MET A 2 3.872 3.622 10.897 1.00 0.00 H new ATOM 0 HB2 MET A 2 2.602 1.938 12.999 1.00 0.00 H new ATOM 0 HB3 MET A 2 1.696 2.061 11.504 1.00 0.00 H new ATOM 0 HG2 MET A 2 3.030 0.190 11.129 1.00 0.00 H new ATOM 0 HG3 MET A 2 3.928 1.459 10.321 1.00 0.00 H new ATOM 0 HE1 MET A 2 7.266 0.357 11.524 1.00 0.00 H new ATOM 0 HE2 MET A 2 6.047 -0.209 10.357 1.00 0.00 H new ATOM 0 HE3 MET A 2 6.392 1.531 10.512 1.00 0.00 H new ATOM 37 N SER A 3 1.762 5.457 12.363 1.00 0.00 N ATOM 38 CA SER A 3 0.662 6.401 12.195 1.00 0.00 C ATOM 39 C SER A 3 1.171 7.787 11.802 1.00 0.00 C ATOM 40 O SER A 3 0.454 8.779 11.934 1.00 0.00 O ATOM 41 CB SER A 3 -0.156 6.491 13.484 1.00 0.00 C ATOM 42 OG SER A 3 -1.545 6.539 13.205 1.00 0.00 O ATOM 0 H SER A 3 2.304 5.588 13.217 1.00 0.00 H new ATOM 0 HA SER A 3 0.027 6.034 11.389 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.061 5.631 14.117 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.137 7.380 14.043 1.00 0.00 H new ATOM 0 HG SER A 3 -2.046 6.595 14.046 1.00 0.00 H new ATOM 48 N LEU A 4 2.411 7.853 11.319 1.00 0.00 N ATOM 49 CA LEU A 4 3.003 9.126 10.909 1.00 0.00 C ATOM 50 C LEU A 4 2.144 9.811 9.863 1.00 0.00 C ATOM 51 O LEU A 4 1.987 11.033 9.869 1.00 0.00 O ATOM 52 CB LEU A 4 4.407 8.932 10.319 1.00 0.00 C ATOM 53 CG LEU A 4 5.164 7.686 10.790 1.00 0.00 C ATOM 54 CD1 LEU A 4 4.988 6.546 9.800 1.00 0.00 C ATOM 55 CD2 LEU A 4 6.640 8.001 10.984 1.00 0.00 C ATOM 0 H LEU A 4 3.022 7.045 11.202 1.00 0.00 H new ATOM 0 HA LEU A 4 3.067 9.742 11.806 1.00 0.00 H new ATOM 0 HB2 LEU A 4 4.322 8.893 9.233 1.00 0.00 H new ATOM 0 HB3 LEU A 4 5.006 9.810 10.560 1.00 0.00 H new ATOM 0 HG LEU A 4 4.749 7.374 11.748 1.00 0.00 H new ATOM 0 HD11 LEU A 4 5.533 5.670 10.153 1.00 0.00 H new ATOM 0 HD12 LEU A 4 3.929 6.302 9.710 1.00 0.00 H new ATOM 0 HD13 LEU A 4 5.375 6.847 8.826 1.00 0.00 H new ATOM 0 HD21 LEU A 4 7.162 7.105 11.319 1.00 0.00 H new ATOM 0 HD22 LEU A 4 7.067 8.339 10.040 1.00 0.00 H new ATOM 0 HD23 LEU A 4 6.749 8.786 11.733 1.00 0.00 H new ATOM 67 N VAL A 5 1.619 9.017 8.942 1.00 0.00 N ATOM 68 CA VAL A 5 0.809 9.548 7.860 1.00 0.00 C ATOM 69 C VAL A 5 -0.636 9.100 7.944 1.00 0.00 C ATOM 70 O VAL A 5 -0.962 7.946 7.670 1.00 0.00 O ATOM 71 CB VAL A 5 1.362 9.142 6.485 1.00 0.00 C ATOM 72 CG1 VAL A 5 1.266 10.305 5.530 1.00 0.00 C ATOM 73 CG2 VAL A 5 2.802 8.659 6.582 1.00 0.00 C ATOM 0 H VAL A 5 1.740 8.004 8.923 1.00 0.00 H new ATOM 0 HA VAL A 5 0.851 10.632 7.970 1.00 0.00 H new ATOM 0 HB VAL A 5 0.760 8.314 6.110 1.00 0.00 H new ATOM 0 HG11 VAL A 5 1.660 10.010 4.557 1.00 0.00 H new ATOM 0 HG12 VAL A 5 0.223 10.604 5.424 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.846 11.143 5.917 1.00 0.00 H new ATOM 0 HG21 VAL A 5 3.160 8.380 5.591 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.427 9.457 6.983 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.852 7.793 7.242 1.00 0.00 H new ATOM 83 N SER A 6 -1.502 10.031 8.296 1.00 0.00 N ATOM 84 CA SER A 6 -2.922 9.750 8.387 1.00 0.00 C ATOM 85 C SER A 6 -3.625 10.116 7.085 1.00 0.00 C ATOM 86 O SER A 6 -3.025 10.696 6.176 1.00 0.00 O ATOM 87 CB SER A 6 -3.546 10.517 9.554 1.00 0.00 C ATOM 88 OG SER A 6 -2.899 11.762 9.752 1.00 0.00 O ATOM 0 H SER A 6 -1.246 10.992 8.524 1.00 0.00 H new ATOM 0 HA SER A 6 -3.048 8.682 8.563 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.606 10.682 9.359 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.478 9.920 10.463 1.00 0.00 H new ATOM 0 HG SER A 6 -3.318 12.233 10.502 1.00 0.00 H new ATOM 94 N ASP A 7 -4.910 9.795 7.013 1.00 0.00 N ATOM 95 CA ASP A 7 -5.725 10.107 5.840 1.00 0.00 C ATOM 96 C ASP A 7 -5.536 11.564 5.401 1.00 0.00 C ATOM 97 O ASP A 7 -5.832 11.920 4.263 1.00 0.00 O ATOM 98 CB ASP A 7 -7.202 9.843 6.139 1.00 0.00 C ATOM 99 CG ASP A 7 -7.681 10.572 7.379 1.00 0.00 C ATOM 100 OD1 ASP A 7 -7.405 10.086 8.496 1.00 0.00 O ATOM 101 OD2 ASP A 7 -8.329 11.630 7.234 1.00 0.00 O ATOM 0 H ASP A 7 -5.416 9.315 7.757 1.00 0.00 H new ATOM 0 HA ASP A 7 -5.399 9.461 5.025 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -7.804 10.152 5.284 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -7.358 8.772 6.268 1.00 0.00 H new ATOM 106 N GLU A 8 -5.067 12.402 6.326 1.00 0.00 N ATOM 107 CA GLU A 8 -4.863 13.828 6.067 1.00 0.00 C ATOM 108 C GLU A 8 -4.041 14.081 4.806 1.00 0.00 C ATOM 109 O GLU A 8 -4.492 14.769 3.890 1.00 0.00 O ATOM 110 CB GLU A 8 -4.133 14.451 7.257 1.00 0.00 C ATOM 111 CG GLU A 8 -4.822 14.208 8.589 1.00 0.00 C ATOM 112 CD GLU A 8 -4.591 15.334 9.579 1.00 0.00 C ATOM 113 OE1 GLU A 8 -4.394 16.483 9.134 1.00 0.00 O ATOM 114 OE2 GLU A 8 -4.605 15.064 10.798 1.00 0.00 O ATOM 0 H GLU A 8 -4.819 12.113 7.272 1.00 0.00 H new ATOM 0 HA GLU A 8 -5.845 14.277 5.922 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.121 14.049 7.302 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.042 15.525 7.095 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -5.893 14.089 8.424 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -4.459 13.273 9.016 1.00 0.00 H new ATOM 121 N GLU A 9 -2.834 13.544 4.761 1.00 0.00 N ATOM 122 CA GLU A 9 -1.972 13.742 3.606 1.00 0.00 C ATOM 123 C GLU A 9 -2.521 13.014 2.385 1.00 0.00 C ATOM 124 O GLU A 9 -2.255 13.404 1.247 1.00 0.00 O ATOM 125 CB GLU A 9 -0.554 13.256 3.911 1.00 0.00 C ATOM 126 CG GLU A 9 0.276 14.257 4.698 1.00 0.00 C ATOM 127 CD GLU A 9 1.281 14.990 3.830 1.00 0.00 C ATOM 128 OE1 GLU A 9 1.102 15.000 2.594 1.00 0.00 O ATOM 129 OE2 GLU A 9 2.246 15.555 4.388 1.00 0.00 O ATOM 0 H GLU A 9 -2.430 12.972 5.503 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.942 14.809 3.386 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -0.611 12.323 4.472 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -0.046 13.033 2.973 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.387 14.981 5.171 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.803 13.737 5.498 1.00 0.00 H new ATOM 136 N TRP A 10 -3.272 11.945 2.625 1.00 0.00 N ATOM 137 CA TRP A 10 -3.838 11.152 1.542 1.00 0.00 C ATOM 138 C TRP A 10 -5.154 11.708 0.995 1.00 0.00 C ATOM 139 O TRP A 10 -5.527 11.395 -0.135 1.00 0.00 O ATOM 140 CB TRP A 10 -4.037 9.698 1.955 1.00 0.00 C ATOM 141 CG TRP A 10 -4.247 8.819 0.769 1.00 0.00 C ATOM 142 CD1 TRP A 10 -5.441 8.410 0.264 1.00 0.00 C ATOM 143 CD2 TRP A 10 -3.236 8.261 -0.077 1.00 0.00 C ATOM 144 NE1 TRP A 10 -5.242 7.643 -0.854 1.00 0.00 N ATOM 145 CE2 TRP A 10 -3.895 7.528 -1.079 1.00 0.00 C ATOM 146 CE3 TRP A 10 -1.841 8.311 -0.083 1.00 0.00 C ATOM 147 CZ2 TRP A 10 -3.203 6.851 -2.081 1.00 0.00 C ATOM 148 CZ3 TRP A 10 -1.155 7.636 -1.076 1.00 0.00 C ATOM 149 CH2 TRP A 10 -1.837 6.915 -2.063 1.00 0.00 C ATOM 0 H TRP A 10 -3.502 11.608 3.560 1.00 0.00 H new ATOM 0 HA TRP A 10 -3.102 11.208 0.740 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -3.167 9.355 2.514 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -4.895 9.622 2.623 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -6.406 8.654 0.683 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -5.977 7.226 -1.426 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -1.307 8.867 0.674 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -3.727 6.295 -2.845 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -0.075 7.666 -1.090 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -1.273 6.399 -2.826 1.00 0.00 H new ATOM 160 N VAL A 11 -5.870 12.514 1.778 1.00 0.00 N ATOM 161 CA VAL A 11 -7.129 13.056 1.315 1.00 0.00 C ATOM 162 C VAL A 11 -6.851 14.024 0.206 1.00 0.00 C ATOM 163 O VAL A 11 -7.554 14.056 -0.804 1.00 0.00 O ATOM 164 CB VAL A 11 -7.942 13.759 2.429 1.00 0.00 C ATOM 165 CG1 VAL A 11 -7.048 14.600 3.320 1.00 0.00 C ATOM 166 CG2 VAL A 11 -9.039 14.615 1.817 1.00 0.00 C ATOM 0 H VAL A 11 -5.599 12.798 2.719 1.00 0.00 H new ATOM 0 HA VAL A 11 -7.739 12.221 0.971 1.00 0.00 H new ATOM 0 HB VAL A 11 -8.398 12.988 3.050 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.651 15.080 4.091 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -6.299 13.963 3.789 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -6.551 15.363 2.721 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.604 15.104 2.610 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -8.593 15.370 1.170 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.708 13.985 1.231 1.00 0.00 H new ATOM 176 N GLU A 12 -5.803 14.805 0.387 1.00 0.00 N ATOM 177 CA GLU A 12 -5.432 15.750 -0.625 1.00 0.00 C ATOM 178 C GLU A 12 -5.156 14.994 -1.918 1.00 0.00 C ATOM 179 O GLU A 12 -5.392 15.484 -3.022 1.00 0.00 O ATOM 180 CB GLU A 12 -4.205 16.559 -0.197 1.00 0.00 C ATOM 181 CG GLU A 12 -4.035 17.860 -0.965 1.00 0.00 C ATOM 182 CD GLU A 12 -3.080 17.725 -2.135 1.00 0.00 C ATOM 183 OE1 GLU A 12 -1.883 17.455 -1.898 1.00 0.00 O ATOM 184 OE2 GLU A 12 -3.528 17.890 -3.289 1.00 0.00 O ATOM 0 H GLU A 12 -5.207 14.798 1.215 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.248 16.457 -0.779 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -4.281 16.782 0.867 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.312 15.948 -0.332 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.007 18.192 -1.330 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.668 18.632 -0.288 1.00 0.00 H new ATOM 191 N TYR A 13 -4.666 13.772 -1.736 1.00 0.00 N ATOM 192 CA TYR A 13 -4.351 12.867 -2.835 1.00 0.00 C ATOM 193 C TYR A 13 -5.614 12.240 -3.426 1.00 0.00 C ATOM 194 O TYR A 13 -5.790 12.194 -4.642 1.00 0.00 O ATOM 195 CB TYR A 13 -3.399 11.776 -2.346 1.00 0.00 C ATOM 196 CG TYR A 13 -1.942 12.175 -2.421 1.00 0.00 C ATOM 197 CD1 TYR A 13 -1.353 12.499 -3.637 1.00 0.00 C ATOM 198 CD2 TYR A 13 -1.158 12.231 -1.276 1.00 0.00 C ATOM 199 CE1 TYR A 13 -0.023 12.869 -3.710 1.00 0.00 C ATOM 200 CE2 TYR A 13 0.174 12.600 -1.341 1.00 0.00 C ATOM 201 CZ TYR A 13 0.736 12.918 -2.560 1.00 0.00 C ATOM 202 OH TYR A 13 2.061 13.287 -2.631 1.00 0.00 O ATOM 0 H TYR A 13 -4.475 13.379 -0.814 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.870 13.445 -3.624 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.647 11.523 -1.315 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.553 10.876 -2.941 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.944 12.461 -4.540 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.595 11.983 -0.320 1.00 0.00 H new ATOM 0 HE1 TYR A 13 0.419 13.118 -4.663 1.00 0.00 H new ATOM 0 HE2 TYR A 13 0.771 12.639 -0.442 1.00 0.00 H new ATOM 0 HH TYR A 13 2.389 13.504 -1.733 1.00 0.00 H new ATOM 212 N LYS A 14 -6.474 11.734 -2.543 1.00 0.00 N ATOM 213 CA LYS A 14 -7.716 11.074 -2.944 1.00 0.00 C ATOM 214 C LYS A 14 -8.519 11.910 -3.937 1.00 0.00 C ATOM 215 O LYS A 14 -9.251 11.367 -4.764 1.00 0.00 O ATOM 216 CB LYS A 14 -8.571 10.801 -1.705 1.00 0.00 C ATOM 217 CG LYS A 14 -8.110 9.600 -0.889 1.00 0.00 C ATOM 218 CD LYS A 14 -8.510 9.716 0.578 1.00 0.00 C ATOM 219 CE LYS A 14 -9.966 10.127 0.744 1.00 0.00 C ATOM 220 NZ LYS A 14 -10.104 11.570 1.085 1.00 0.00 N ATOM 0 H LYS A 14 -6.331 11.770 -1.534 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.448 10.140 -3.437 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -8.563 11.685 -1.068 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -9.603 10.642 -2.016 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -8.538 8.690 -1.310 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -7.027 9.506 -0.963 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -8.345 8.760 1.075 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.869 10.447 1.071 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -10.509 9.919 -0.178 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -10.426 9.524 1.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -11.098 11.781 1.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -9.512 11.790 1.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -9.798 12.149 0.277 1.00 0.00 H new ATOM 234 N SER A 15 -8.370 13.226 -3.870 1.00 0.00 N ATOM 235 CA SER A 15 -9.062 14.116 -4.772 1.00 0.00 C ATOM 236 C SER A 15 -8.426 14.015 -6.132 1.00 0.00 C ATOM 237 O SER A 15 -9.098 13.986 -7.163 1.00 0.00 O ATOM 238 CB SER A 15 -8.977 15.554 -4.268 1.00 0.00 C ATOM 239 OG SER A 15 -9.342 15.639 -2.901 1.00 0.00 O ATOM 0 H SER A 15 -7.770 13.697 -3.193 1.00 0.00 H new ATOM 0 HA SER A 15 -10.113 13.832 -4.828 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.962 15.929 -4.400 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.633 16.190 -4.863 1.00 0.00 H new ATOM 0 HG SER A 15 -9.277 16.570 -2.602 1.00 0.00 H new ATOM 245 N LYS A 16 -7.103 13.973 -6.112 1.00 0.00 N ATOM 246 CA LYS A 16 -6.337 13.892 -7.326 1.00 0.00 C ATOM 247 C LYS A 16 -6.182 12.452 -7.805 1.00 0.00 C ATOM 248 O LYS A 16 -5.675 12.206 -8.900 1.00 0.00 O ATOM 249 CB LYS A 16 -4.964 14.538 -7.138 1.00 0.00 C ATOM 250 CG LYS A 16 -4.192 14.718 -8.433 1.00 0.00 C ATOM 251 CD LYS A 16 -2.841 15.370 -8.192 1.00 0.00 C ATOM 252 CE LYS A 16 -2.903 16.877 -8.395 1.00 0.00 C ATOM 253 NZ LYS A 16 -2.329 17.284 -9.707 1.00 0.00 N ATOM 0 H LYS A 16 -6.544 13.994 -5.259 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.885 14.438 -8.093 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.092 15.511 -6.663 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.374 13.926 -6.456 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.049 13.748 -8.910 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.774 15.330 -9.122 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.507 15.152 -7.178 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.103 14.941 -8.870 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.939 17.209 -8.333 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.360 17.374 -7.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.390 18.317 -9.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.333 16.989 -9.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.863 16.830 -10.475 1.00 0.00 H new ATOM 267 N PHE A 17 -6.604 11.502 -6.978 1.00 0.00 N ATOM 268 CA PHE A 17 -6.491 10.088 -7.324 1.00 0.00 C ATOM 269 C PHE A 17 -7.776 9.547 -7.958 1.00 0.00 C ATOM 270 O PHE A 17 -7.794 8.429 -8.472 1.00 0.00 O ATOM 271 CB PHE A 17 -6.130 9.271 -6.082 1.00 0.00 C ATOM 272 CG PHE A 17 -4.741 8.700 -6.125 1.00 0.00 C ATOM 273 CD1 PHE A 17 -4.323 7.939 -7.206 1.00 0.00 C ATOM 274 CD2 PHE A 17 -3.852 8.925 -5.086 1.00 0.00 C ATOM 275 CE1 PHE A 17 -3.046 7.413 -7.248 1.00 0.00 C ATOM 276 CE2 PHE A 17 -2.574 8.401 -5.123 1.00 0.00 C ATOM 277 CZ PHE A 17 -2.170 7.644 -6.206 1.00 0.00 C ATOM 0 H PHE A 17 -7.026 11.683 -6.067 1.00 0.00 H new ATOM 0 HA PHE A 17 -5.697 9.993 -8.065 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -6.227 9.903 -5.200 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -6.846 8.457 -5.971 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -5.003 7.755 -8.024 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.162 9.517 -4.237 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.733 6.821 -8.096 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.891 8.583 -4.306 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.171 7.234 -6.237 1.00 0.00 H new ATOM 287 N ASP A 18 -8.850 10.337 -7.916 1.00 0.00 N ATOM 288 CA ASP A 18 -10.134 9.925 -8.488 1.00 0.00 C ATOM 289 C ASP A 18 -10.756 8.764 -7.705 1.00 0.00 C ATOM 290 O ASP A 18 -11.770 8.201 -8.116 1.00 0.00 O ATOM 291 CB ASP A 18 -9.968 9.535 -9.960 1.00 0.00 C ATOM 292 CG ASP A 18 -10.124 10.722 -10.891 1.00 0.00 C ATOM 293 OD1 ASP A 18 -11.249 11.259 -10.986 1.00 0.00 O ATOM 294 OD2 ASP A 18 -9.123 11.116 -11.524 1.00 0.00 O ATOM 0 H ASP A 18 -8.857 11.265 -7.492 1.00 0.00 H new ATOM 0 HA ASP A 18 -10.809 10.778 -8.419 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -8.985 9.088 -10.106 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -10.705 8.775 -10.218 1.00 0.00 H new ATOM 299 N LYS A 19 -10.153 8.426 -6.569 1.00 0.00 N ATOM 300 CA LYS A 19 -10.647 7.355 -5.712 1.00 0.00 C ATOM 301 C LYS A 19 -10.389 7.730 -4.260 1.00 0.00 C ATOM 302 O LYS A 19 -9.292 7.533 -3.740 1.00 0.00 O ATOM 303 CB LYS A 19 -9.972 6.025 -6.055 1.00 0.00 C ATOM 304 CG LYS A 19 -8.465 6.131 -6.224 1.00 0.00 C ATOM 305 CD LYS A 19 -7.730 5.473 -5.068 1.00 0.00 C ATOM 306 CE LYS A 19 -6.324 6.028 -4.906 1.00 0.00 C ATOM 307 NZ LYS A 19 -5.534 5.253 -3.909 1.00 0.00 N ATOM 0 H LYS A 19 -9.312 8.885 -6.219 1.00 0.00 H new ATOM 0 HA LYS A 19 -11.718 7.229 -5.872 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -10.191 5.303 -5.268 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -10.406 5.634 -6.976 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -8.168 5.660 -7.161 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -8.178 7.180 -6.290 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.290 5.627 -4.146 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.679 4.397 -5.234 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.813 6.009 -5.869 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.379 7.071 -4.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.530 5.514 -3.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.877 5.468 -2.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.642 4.236 -4.095 1.00 0.00 H new ATOM 321 N ASN A 20 -11.392 8.325 -3.631 1.00 0.00 N ATOM 322 CA ASN A 20 -11.261 8.794 -2.258 1.00 0.00 C ATOM 323 C ASN A 20 -11.781 7.807 -1.215 1.00 0.00 C ATOM 324 O ASN A 20 -12.952 7.429 -1.225 1.00 0.00 O ATOM 325 CB ASN A 20 -12.000 10.127 -2.103 1.00 0.00 C ATOM 326 CG ASN A 20 -13.409 10.075 -2.661 1.00 0.00 C ATOM 327 OD1 ASN A 20 -13.605 9.951 -3.871 1.00 0.00 O ATOM 328 ND2 ASN A 20 -14.398 10.169 -1.781 1.00 0.00 N ATOM 0 H ASN A 20 -12.307 8.495 -4.049 1.00 0.00 H new ATOM 0 HA ASN A 20 -10.193 8.909 -2.073 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -12.040 10.397 -1.048 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -11.439 10.911 -2.612 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -15.367 10.140 -2.098 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -14.189 10.271 -0.788 1.00 0.00 H new ATOM 335 N TYR A 21 -10.905 7.448 -0.274 1.00 0.00 N ATOM 336 CA TYR A 21 -11.274 6.568 0.830 1.00 0.00 C ATOM 337 C TYR A 21 -10.785 7.188 2.144 1.00 0.00 C ATOM 338 O TYR A 21 -9.564 7.351 2.373 1.00 0.00 O ATOM 339 CB TYR A 21 -10.725 5.154 0.640 1.00 0.00 C ATOM 340 CG TYR A 21 -9.333 5.098 0.084 1.00 0.00 C ATOM 341 CD1 TYR A 21 -8.256 5.293 0.918 1.00 0.00 C ATOM 342 CD2 TYR A 21 -9.092 4.831 -1.257 1.00 0.00 C ATOM 343 CE1 TYR A 21 -6.975 5.230 0.446 1.00 0.00 C ATOM 344 CE2 TYR A 21 -7.799 4.763 -1.742 1.00 0.00 C ATOM 345 CZ TYR A 21 -6.744 4.964 -0.880 1.00 0.00 C ATOM 346 OH TYR A 21 -5.452 4.903 -1.344 1.00 0.00 O ATOM 0 H TYR A 21 -9.933 7.756 -0.257 1.00 0.00 H new ATOM 0 HA TYR A 21 -12.359 6.472 0.858 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -10.740 4.640 1.601 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -11.391 4.605 -0.026 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -8.426 5.500 1.964 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -9.923 4.675 -1.928 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -6.144 5.390 1.117 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -7.618 4.554 -2.786 1.00 0.00 H new ATOM 0 HH TYR A 21 -4.997 5.750 -1.156 1.00 0.00 H new ATOM 356 N GLU A 22 -11.780 7.575 2.956 1.00 0.00 N ATOM 357 CA GLU A 22 -11.595 8.261 4.241 1.00 0.00 C ATOM 358 C GLU A 22 -11.065 7.386 5.376 1.00 0.00 C ATOM 359 O GLU A 22 -10.806 6.193 5.215 1.00 0.00 O ATOM 360 CB GLU A 22 -12.918 8.900 4.670 1.00 0.00 C ATOM 361 CG GLU A 22 -12.909 10.419 4.603 1.00 0.00 C ATOM 362 CD GLU A 22 -13.529 10.948 3.324 1.00 0.00 C ATOM 363 OE1 GLU A 22 -14.684 10.581 3.028 1.00 0.00 O ATOM 364 OE2 GLU A 22 -12.856 11.730 2.618 1.00 0.00 O ATOM 0 H GLU A 22 -12.762 7.415 2.730 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.822 9.009 4.063 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.718 8.521 4.034 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.148 8.591 5.690 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.452 10.820 5.459 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.882 10.777 4.680 1.00 0.00 H new ATOM 371 N ALA A 23 -10.895 8.046 6.528 1.00 0.00 N ATOM 372 CA ALA A 23 -10.374 7.440 7.753 1.00 0.00 C ATOM 373 C ALA A 23 -10.943 6.053 8.043 1.00 0.00 C ATOM 374 O ALA A 23 -10.214 5.182 8.518 1.00 0.00 O ATOM 375 CB ALA A 23 -10.649 8.361 8.932 1.00 0.00 C ATOM 0 H ALA A 23 -11.121 9.035 6.634 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.302 7.309 7.603 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -10.261 7.909 9.845 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -10.160 9.321 8.766 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.724 8.514 9.031 1.00 0.00 H new ATOM 381 N GLU A 24 -12.232 5.832 7.787 1.00 0.00 N ATOM 382 CA GLU A 24 -12.819 4.522 8.072 1.00 0.00 C ATOM 383 C GLU A 24 -11.987 3.421 7.420 1.00 0.00 C ATOM 384 O GLU A 24 -11.462 2.539 8.101 1.00 0.00 O ATOM 385 CB GLU A 24 -14.262 4.460 7.564 1.00 0.00 C ATOM 386 CG GLU A 24 -14.946 3.131 7.837 1.00 0.00 C ATOM 387 CD GLU A 24 -14.783 2.146 6.696 1.00 0.00 C ATOM 388 OE1 GLU A 24 -15.535 2.256 5.704 1.00 0.00 O ATOM 389 OE2 GLU A 24 -13.904 1.264 6.794 1.00 0.00 O ATOM 0 H GLU A 24 -12.874 6.520 7.394 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.823 4.371 9.152 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -14.838 5.258 8.032 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -14.269 4.649 6.491 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -14.536 2.696 8.749 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -16.008 3.303 8.015 1.00 0.00 H new ATOM 396 N GLU A 25 -11.822 3.513 6.106 1.00 0.00 N ATOM 397 CA GLU A 25 -10.996 2.564 5.371 1.00 0.00 C ATOM 398 C GLU A 25 -9.523 2.887 5.604 1.00 0.00 C ATOM 399 O GLU A 25 -8.678 2.002 5.727 1.00 0.00 O ATOM 400 CB GLU A 25 -11.322 2.610 3.876 1.00 0.00 C ATOM 401 CG GLU A 25 -11.693 1.255 3.295 1.00 0.00 C ATOM 402 CD GLU A 25 -11.676 1.245 1.779 1.00 0.00 C ATOM 403 OE1 GLU A 25 -11.886 2.318 1.176 1.00 0.00 O ATOM 404 OE2 GLU A 25 -11.453 0.164 1.195 1.00 0.00 O ATOM 0 H GLU A 25 -12.250 4.236 5.527 1.00 0.00 H new ATOM 0 HA GLU A 25 -11.205 1.557 5.731 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -12.146 3.304 3.713 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.461 3.005 3.336 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -10.998 0.502 3.667 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -12.686 0.973 3.645 1.00 0.00 H new ATOM 411 N ASP A 26 -9.246 4.188 5.632 1.00 0.00 N ATOM 412 CA ASP A 26 -7.899 4.720 5.813 1.00 0.00 C ATOM 413 C ASP A 26 -7.224 4.229 7.085 1.00 0.00 C ATOM 414 O ASP A 26 -6.005 4.129 7.137 1.00 0.00 O ATOM 415 CB ASP A 26 -7.958 6.239 5.867 1.00 0.00 C ATOM 416 CG ASP A 26 -7.827 6.885 4.503 1.00 0.00 C ATOM 417 OD1 ASP A 26 -7.236 6.253 3.602 1.00 0.00 O ATOM 418 OD2 ASP A 26 -8.308 8.025 4.338 1.00 0.00 O ATOM 0 H ASP A 26 -9.959 4.910 5.528 1.00 0.00 H new ATOM 0 HA ASP A 26 -7.312 4.367 4.965 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -8.902 6.545 6.319 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -7.161 6.605 6.515 1.00 0.00 H new ATOM 423 N LEU A 27 -8.003 3.967 8.121 1.00 0.00 N ATOM 424 CA LEU A 27 -7.446 3.540 9.396 1.00 0.00 C ATOM 425 C LEU A 27 -6.437 2.409 9.216 1.00 0.00 C ATOM 426 O LEU A 27 -5.268 2.531 9.612 1.00 0.00 O ATOM 427 CB LEU A 27 -8.591 3.105 10.296 1.00 0.00 C ATOM 428 CG LEU A 27 -8.405 3.446 11.771 1.00 0.00 C ATOM 429 CD1 LEU A 27 -9.618 4.189 12.309 1.00 0.00 C ATOM 430 CD2 LEU A 27 -8.141 2.188 12.584 1.00 0.00 C ATOM 0 H LEU A 27 -9.020 4.042 8.106 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.908 4.371 9.851 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.511 3.571 9.942 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.722 2.027 10.200 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.538 4.100 11.863 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.464 4.422 13.363 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.756 5.114 11.749 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.505 3.564 12.202 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.011 2.453 13.633 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.986 1.506 12.484 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.237 1.702 12.218 1.00 0.00 H new ATOM 442 N MET A 28 -6.858 1.341 8.560 1.00 0.00 N ATOM 443 CA MET A 28 -5.953 0.236 8.280 1.00 0.00 C ATOM 444 C MET A 28 -4.879 0.734 7.324 1.00 0.00 C ATOM 445 O MET A 28 -3.733 0.271 7.329 1.00 0.00 O ATOM 446 CB MET A 28 -6.708 -0.948 7.670 1.00 0.00 C ATOM 447 CG MET A 28 -7.430 -0.611 6.375 1.00 0.00 C ATOM 448 SD MET A 28 -9.222 -0.766 6.513 1.00 0.00 S ATOM 449 CE MET A 28 -9.579 -1.829 5.117 1.00 0.00 C ATOM 0 H MET A 28 -7.809 1.214 8.214 1.00 0.00 H new ATOM 0 HA MET A 28 -5.498 -0.112 9.207 1.00 0.00 H new ATOM 0 HB2 MET A 28 -6.004 -1.759 7.483 1.00 0.00 H new ATOM 0 HB3 MET A 28 -7.434 -1.317 8.395 1.00 0.00 H new ATOM 0 HG2 MET A 28 -7.180 0.408 6.079 1.00 0.00 H new ATOM 0 HG3 MET A 28 -7.073 -1.270 5.583 1.00 0.00 H new ATOM 0 HE1 MET A 28 -10.634 -2.104 5.129 1.00 0.00 H new ATOM 0 HE2 MET A 28 -9.352 -1.301 4.191 1.00 0.00 H new ATOM 0 HE3 MET A 28 -8.969 -2.730 5.180 1.00 0.00 H new ATOM 459 N ARG A 29 -5.269 1.715 6.518 1.00 0.00 N ATOM 460 CA ARG A 29 -4.372 2.325 5.563 1.00 0.00 C ATOM 461 C ARG A 29 -3.374 3.236 6.267 1.00 0.00 C ATOM 462 O ARG A 29 -2.293 3.502 5.754 1.00 0.00 O ATOM 463 CB ARG A 29 -5.158 3.136 4.554 1.00 0.00 C ATOM 464 CG ARG A 29 -5.799 2.315 3.438 1.00 0.00 C ATOM 465 CD ARG A 29 -7.154 2.871 3.022 1.00 0.00 C ATOM 466 NE ARG A 29 -7.546 2.382 1.699 1.00 0.00 N ATOM 467 CZ ARG A 29 -8.354 1.341 1.492 1.00 0.00 C ATOM 468 NH1 ARG A 29 -8.976 0.755 2.508 1.00 0.00 N ATOM 469 NH2 ARG A 29 -8.540 0.881 0.260 1.00 0.00 N ATOM 0 H ARG A 29 -6.212 2.103 6.513 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.830 1.529 5.052 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.940 3.684 5.079 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.495 3.877 4.107 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.134 2.298 2.574 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.918 1.284 3.770 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.908 2.585 3.756 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.115 3.960 3.013 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.177 2.869 0.882 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -8.838 1.100 3.458 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.592 -0.040 2.339 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.065 1.324 -0.527 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -9.158 0.085 0.101 1.00 0.00 H new ATOM 483 N ARG A 30 -3.740 3.718 7.456 1.00 0.00 N ATOM 484 CA ARG A 30 -2.861 4.592 8.218 1.00 0.00 C ATOM 485 C ARG A 30 -1.499 3.933 8.319 1.00 0.00 C ATOM 486 O ARG A 30 -0.460 4.587 8.227 1.00 0.00 O ATOM 487 CB ARG A 30 -3.421 4.836 9.624 1.00 0.00 C ATOM 488 CG ARG A 30 -4.765 5.548 9.640 1.00 0.00 C ATOM 489 CD ARG A 30 -4.608 7.041 9.407 1.00 0.00 C ATOM 490 NE ARG A 30 -5.742 7.798 9.931 1.00 0.00 N ATOM 491 CZ ARG A 30 -5.892 8.115 11.215 1.00 0.00 C ATOM 492 NH1 ARG A 30 -4.986 7.740 12.110 1.00 0.00 N ATOM 493 NH2 ARG A 30 -6.952 8.809 11.607 1.00 0.00 N ATOM 0 H ARG A 30 -4.633 3.517 7.905 1.00 0.00 H new ATOM 0 HA ARG A 30 -2.783 5.555 7.713 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -3.523 3.878 10.135 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -2.702 5.426 10.193 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -5.411 5.125 8.871 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -5.256 5.378 10.598 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.690 7.388 9.882 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -4.506 7.233 8.339 1.00 0.00 H new ATOM 0 HE ARG A 30 -6.461 8.102 9.274 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -4.169 7.206 11.815 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -5.107 7.986 13.092 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -7.652 9.100 10.925 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -7.067 9.052 12.591 1.00 0.00 H new ATOM 507 N ARG A 31 -1.529 2.616 8.490 1.00 0.00 N ATOM 508 CA ARG A 31 -0.312 1.824 8.583 1.00 0.00 C ATOM 509 C ARG A 31 0.396 1.713 7.230 1.00 0.00 C ATOM 510 O ARG A 31 1.636 1.684 7.166 1.00 0.00 O ATOM 511 CB ARG A 31 -0.632 0.425 9.114 1.00 0.00 C ATOM 512 CG ARG A 31 -1.478 0.432 10.376 1.00 0.00 C ATOM 513 CD ARG A 31 -0.670 0.871 11.586 1.00 0.00 C ATOM 514 NE ARG A 31 -1.262 0.407 12.837 1.00 0.00 N ATOM 515 CZ ARG A 31 -1.129 -0.833 13.305 1.00 0.00 C ATOM 516 NH1 ARG A 31 -0.429 -1.734 12.628 1.00 0.00 N ATOM 517 NH2 ARG A 31 -1.701 -1.172 14.453 1.00 0.00 N ATOM 0 H ARG A 31 -2.389 2.073 8.567 1.00 0.00 H new ATOM 0 HA ARG A 31 0.359 2.333 9.274 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.154 -0.138 8.340 1.00 0.00 H new ATOM 0 HB3 ARG A 31 0.302 -0.100 9.315 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.327 1.102 10.242 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.883 -0.565 10.550 1.00 0.00 H new ATOM 0 HD2 ARG A 31 0.347 0.487 11.502 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.600 1.959 11.600 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.809 1.071 13.385 1.00 0.00 H new ATOM 0 HH11 ARG A 31 0.011 -1.479 11.744 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -0.331 -2.682 12.992 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.242 -0.483 14.976 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.600 -2.121 14.812 1.00 0.00 H new ATOM 531 N ILE A 32 -0.371 1.684 6.133 1.00 0.00 N ATOM 532 CA ILE A 32 0.246 1.593 4.819 1.00 0.00 C ATOM 533 C ILE A 32 0.715 2.957 4.412 1.00 0.00 C ATOM 534 O ILE A 32 1.732 3.116 3.757 1.00 0.00 O ATOM 535 CB ILE A 32 -0.681 0.949 3.769 1.00 0.00 C ATOM 536 CG1 ILE A 32 -0.456 1.535 2.404 1.00 0.00 C ATOM 537 CG2 ILE A 32 -2.118 1.047 4.153 1.00 0.00 C ATOM 538 CD1 ILE A 32 0.934 1.330 1.923 1.00 0.00 C ATOM 0 H ILE A 32 -1.390 1.721 6.133 1.00 0.00 H new ATOM 0 HA ILE A 32 1.105 0.924 4.878 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.423 -0.109 3.732 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.152 1.083 1.698 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.675 2.602 2.429 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.733 0.580 3.384 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.276 0.537 5.103 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.397 2.096 4.253 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.045 1.771 0.933 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.631 1.805 2.613 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.147 0.262 1.870 1.00 0.00 H new ATOM 550 N TYR A 33 -0.018 3.944 4.825 1.00 0.00 N ATOM 551 CA TYR A 33 0.359 5.290 4.522 1.00 0.00 C ATOM 552 C TYR A 33 1.739 5.613 5.100 1.00 0.00 C ATOM 553 O TYR A 33 2.486 6.418 4.539 1.00 0.00 O ATOM 554 CB TYR A 33 -0.655 6.310 5.023 1.00 0.00 C ATOM 555 CG TYR A 33 -0.588 7.597 4.235 1.00 0.00 C ATOM 556 CD1 TYR A 33 0.323 7.731 3.194 1.00 0.00 C ATOM 557 CD2 TYR A 33 -1.426 8.665 4.516 1.00 0.00 C ATOM 558 CE1 TYR A 33 0.393 8.883 2.451 1.00 0.00 C ATOM 559 CE2 TYR A 33 -1.361 9.830 3.775 1.00 0.00 C ATOM 560 CZ TYR A 33 -0.453 9.933 2.738 1.00 0.00 C ATOM 561 OH TYR A 33 -0.381 11.093 2.001 1.00 0.00 O ATOM 0 H TYR A 33 -0.875 3.845 5.369 1.00 0.00 H new ATOM 0 HA TYR A 33 0.392 5.361 3.435 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -1.659 5.891 4.951 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -0.471 6.518 6.077 1.00 0.00 H new ATOM 0 HD1 TYR A 33 0.989 6.912 2.965 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -2.138 8.586 5.324 1.00 0.00 H new ATOM 0 HE1 TYR A 33 1.107 8.966 1.645 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -2.017 10.656 4.005 1.00 0.00 H new ATOM 0 HH TYR A 33 -0.654 10.911 1.077 1.00 0.00 H new ATOM 571 N ALA A 34 2.067 4.988 6.230 1.00 0.00 N ATOM 572 CA ALA A 34 3.350 5.228 6.886 1.00 0.00 C ATOM 573 C ALA A 34 4.516 4.963 5.955 1.00 0.00 C ATOM 574 O ALA A 34 5.404 5.802 5.793 1.00 0.00 O ATOM 575 CB ALA A 34 3.469 4.383 8.145 1.00 0.00 C ATOM 0 H ALA A 34 1.466 4.316 6.707 1.00 0.00 H new ATOM 0 HA ALA A 34 3.386 6.281 7.163 1.00 0.00 H new ATOM 0 HB1 ALA A 34 4.431 4.574 8.622 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.665 4.641 8.834 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.397 3.327 7.883 1.00 0.00 H new ATOM 581 N GLU A 35 4.495 3.810 5.330 1.00 0.00 N ATOM 582 CA GLU A 35 5.544 3.436 4.385 1.00 0.00 C ATOM 583 C GLU A 35 5.636 4.440 3.238 1.00 0.00 C ATOM 584 O GLU A 35 6.701 4.624 2.653 1.00 0.00 O ATOM 585 CB GLU A 35 5.273 2.056 3.812 1.00 0.00 C ATOM 586 CG GLU A 35 3.806 1.820 3.551 1.00 0.00 C ATOM 587 CD GLU A 35 3.284 0.627 4.328 1.00 0.00 C ATOM 588 OE1 GLU A 35 3.205 0.715 5.570 1.00 0.00 O ATOM 589 OE2 GLU A 35 2.962 -0.401 3.695 1.00 0.00 O ATOM 0 H GLU A 35 3.766 3.107 5.453 1.00 0.00 H new ATOM 0 HA GLU A 35 6.489 3.431 4.929 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.829 1.936 2.882 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.643 1.299 4.504 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.240 2.710 3.826 1.00 0.00 H new ATOM 0 HG3 GLU A 35 3.647 1.658 2.485 1.00 0.00 H new ATOM 596 N SER A 36 4.505 5.055 2.891 1.00 0.00 N ATOM 597 CA SER A 36 4.457 5.997 1.772 1.00 0.00 C ATOM 598 C SER A 36 5.578 7.022 1.857 1.00 0.00 C ATOM 599 O SER A 36 6.357 7.163 0.917 1.00 0.00 O ATOM 600 CB SER A 36 3.108 6.718 1.741 1.00 0.00 C ATOM 601 OG SER A 36 3.096 7.827 2.624 1.00 0.00 O ATOM 0 H SER A 36 3.613 4.919 3.366 1.00 0.00 H new ATOM 0 HA SER A 36 4.586 5.422 0.855 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.897 7.056 0.726 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.315 6.023 2.016 1.00 0.00 H new ATOM 0 HG SER A 36 2.432 7.677 3.329 1.00 0.00 H new ATOM 607 N LYS A 37 5.684 7.721 2.976 1.00 0.00 N ATOM 608 CA LYS A 37 6.757 8.700 3.125 1.00 0.00 C ATOM 609 C LYS A 37 8.102 8.003 2.966 1.00 0.00 C ATOM 610 O LYS A 37 9.010 8.525 2.320 1.00 0.00 O ATOM 611 CB LYS A 37 6.706 9.404 4.473 1.00 0.00 C ATOM 612 CG LYS A 37 5.315 9.506 5.085 1.00 0.00 C ATOM 613 CD LYS A 37 4.294 10.034 4.086 1.00 0.00 C ATOM 614 CE LYS A 37 4.156 11.547 4.167 1.00 0.00 C ATOM 615 NZ LYS A 37 2.878 12.023 3.564 1.00 0.00 N ATOM 0 H LYS A 37 5.059 7.635 3.778 1.00 0.00 H new ATOM 0 HA LYS A 37 6.627 9.457 2.352 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.357 8.874 5.169 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.112 10.409 4.359 1.00 0.00 H new ATOM 0 HG2 LYS A 37 5.002 8.524 5.440 1.00 0.00 H new ATOM 0 HG3 LYS A 37 5.347 10.164 5.953 1.00 0.00 H new ATOM 0 HD2 LYS A 37 4.592 9.750 3.077 1.00 0.00 H new ATOM 0 HD3 LYS A 37 3.326 9.570 4.275 1.00 0.00 H new ATOM 0 HE2 LYS A 37 4.204 11.860 5.210 1.00 0.00 H new ATOM 0 HE3 LYS A 37 4.996 12.016 3.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 3.080 12.760 2.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 2.394 11.226 3.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 2.268 12.415 4.309 1.00 0.00 H new ATOM 629 N ALA A 38 8.210 6.800 3.535 1.00 0.00 N ATOM 630 CA ALA A 38 9.435 6.016 3.422 1.00 0.00 C ATOM 631 C ALA A 38 9.827 5.907 1.961 1.00 0.00 C ATOM 632 O ALA A 38 11.003 5.933 1.599 1.00 0.00 O ATOM 633 CB ALA A 38 9.246 4.636 4.033 1.00 0.00 C ATOM 0 H ALA A 38 7.468 6.353 4.074 1.00 0.00 H new ATOM 0 HA ALA A 38 10.234 6.516 3.970 1.00 0.00 H new ATOM 0 HB1 ALA A 38 10.171 4.067 3.939 1.00 0.00 H new ATOM 0 HB2 ALA A 38 8.988 4.737 5.087 1.00 0.00 H new ATOM 0 HB3 ALA A 38 8.444 4.114 3.511 1.00 0.00 H new ATOM 639 N ARG A 39 8.802 5.812 1.140 1.00 0.00 N ATOM 640 CA ARG A 39 8.945 5.726 -0.297 1.00 0.00 C ATOM 641 C ARG A 39 9.379 7.064 -0.861 1.00 0.00 C ATOM 642 O ARG A 39 10.089 7.138 -1.853 1.00 0.00 O ATOM 643 CB ARG A 39 7.625 5.312 -0.898 1.00 0.00 C ATOM 644 CG ARG A 39 6.961 4.191 -0.116 1.00 0.00 C ATOM 645 CD ARG A 39 7.044 2.867 -0.858 1.00 0.00 C ATOM 646 NE ARG A 39 7.127 1.731 0.056 1.00 0.00 N ATOM 647 CZ ARG A 39 8.155 1.511 0.874 1.00 0.00 C ATOM 648 NH1 ARG A 39 9.185 2.348 0.896 1.00 0.00 N ATOM 649 NH2 ARG A 39 8.151 0.452 1.672 1.00 0.00 N ATOM 0 H ARG A 39 7.833 5.792 1.457 1.00 0.00 H new ATOM 0 HA ARG A 39 9.707 4.986 -0.544 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.958 6.173 -0.932 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.782 4.990 -1.927 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.439 4.093 0.859 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.916 4.442 0.066 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.168 2.754 -1.497 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.917 2.871 -1.511 1.00 0.00 H new ATOM 0 HE ARG A 39 6.353 1.067 0.069 1.00 0.00 H new ATOM 0 HH11 ARG A 39 9.192 3.164 0.285 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.970 2.175 1.524 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.361 -0.193 1.659 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.938 0.283 2.299 1.00 0.00 H new ATOM 663 N ILE A 40 8.939 8.135 -0.229 1.00 0.00 N ATOM 664 CA ILE A 40 9.306 9.460 -0.689 1.00 0.00 C ATOM 665 C ILE A 40 10.796 9.648 -0.495 1.00 0.00 C ATOM 666 O ILE A 40 11.485 10.263 -1.305 1.00 0.00 O ATOM 667 CB ILE A 40 8.456 10.524 0.011 1.00 0.00 C ATOM 668 CG1 ILE A 40 6.979 10.301 -0.367 1.00 0.00 C ATOM 669 CG2 ILE A 40 8.910 11.928 -0.366 1.00 0.00 C ATOM 670 CD1 ILE A 40 6.747 9.278 -1.485 1.00 0.00 C ATOM 0 H ILE A 40 8.335 8.116 0.593 1.00 0.00 H new ATOM 0 HA ILE A 40 9.099 9.572 -1.753 1.00 0.00 H new ATOM 0 HB ILE A 40 8.576 10.431 1.090 1.00 0.00 H new ATOM 0 HG12 ILE A 40 6.437 9.976 0.521 1.00 0.00 H new ATOM 0 HG13 ILE A 40 6.549 11.255 -0.672 1.00 0.00 H new ATOM 0 HG21 ILE A 40 8.288 12.662 0.147 1.00 0.00 H new ATOM 0 HG22 ILE A 40 9.950 12.065 -0.071 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.817 12.063 -1.444 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.678 9.189 -1.681 1.00 0.00 H new ATOM 0 HD12 ILE A 40 7.256 9.607 -2.391 1.00 0.00 H new ATOM 0 HD13 ILE A 40 7.142 8.309 -1.179 1.00 0.00 H new ATOM 682 N GLU A 41 11.283 9.016 0.550 1.00 0.00 N ATOM 683 CA GLU A 41 12.705 8.984 0.858 1.00 0.00 C ATOM 684 C GLU A 41 13.401 8.075 -0.161 1.00 0.00 C ATOM 685 O GLU A 41 14.608 8.160 -0.387 1.00 0.00 O ATOM 686 CB GLU A 41 12.941 8.472 2.280 1.00 0.00 C ATOM 687 CG GLU A 41 14.140 9.109 2.965 1.00 0.00 C ATOM 688 CD GLU A 41 13.851 9.503 4.400 1.00 0.00 C ATOM 689 OE1 GLU A 41 13.817 8.605 5.266 1.00 0.00 O ATOM 690 OE2 GLU A 41 13.658 10.710 4.657 1.00 0.00 O ATOM 0 H GLU A 41 10.704 8.505 1.217 1.00 0.00 H new ATOM 0 HA GLU A 41 13.115 9.992 0.799 1.00 0.00 H new ATOM 0 HB2 GLU A 41 12.049 8.660 2.878 1.00 0.00 H new ATOM 0 HB3 GLU A 41 13.082 7.392 2.250 1.00 0.00 H new ATOM 0 HG2 GLU A 41 14.978 8.412 2.945 1.00 0.00 H new ATOM 0 HG3 GLU A 41 14.447 9.992 2.405 1.00 0.00 H new ATOM 697 N GLU A 42 12.605 7.150 -0.701 1.00 0.00 N ATOM 698 CA GLU A 42 13.051 6.115 -1.635 1.00 0.00 C ATOM 699 C GLU A 42 13.809 6.624 -2.864 1.00 0.00 C ATOM 700 O GLU A 42 14.992 6.327 -3.043 1.00 0.00 O ATOM 701 CB GLU A 42 11.762 5.479 -2.181 1.00 0.00 C ATOM 702 CG GLU A 42 11.964 4.377 -3.201 1.00 0.00 C ATOM 703 CD GLU A 42 11.261 3.088 -2.820 1.00 0.00 C ATOM 704 OE1 GLU A 42 11.235 2.760 -1.614 1.00 0.00 O ATOM 705 OE2 GLU A 42 10.739 2.406 -3.726 1.00 0.00 O ATOM 0 H GLU A 42 11.607 7.099 -0.495 1.00 0.00 H new ATOM 0 HA GLU A 42 13.730 5.459 -1.090 1.00 0.00 H new ATOM 0 HB2 GLU A 42 11.193 5.076 -1.343 1.00 0.00 H new ATOM 0 HB3 GLU A 42 11.153 6.262 -2.633 1.00 0.00 H new ATOM 0 HG2 GLU A 42 11.596 4.713 -4.170 1.00 0.00 H new ATOM 0 HG3 GLU A 42 13.031 4.184 -3.314 1.00 0.00 H new ATOM 712 N HIS A 43 13.122 7.360 -3.716 1.00 0.00 N ATOM 713 CA HIS A 43 13.716 7.863 -4.945 1.00 0.00 C ATOM 714 C HIS A 43 14.523 9.122 -4.724 1.00 0.00 C ATOM 715 O HIS A 43 15.502 9.380 -5.425 1.00 0.00 O ATOM 716 CB HIS A 43 12.617 8.128 -5.957 1.00 0.00 C ATOM 717 CG HIS A 43 12.046 6.884 -6.565 1.00 0.00 C ATOM 718 ND1 HIS A 43 10.946 6.163 -6.240 1.00 0.00 N flip ATOM 719 CD2 HIS A 43 12.618 6.242 -7.643 1.00 0.00 C flip ATOM 720 CE1 HIS A 43 10.875 5.111 -7.119 1.00 0.00 C flip ATOM 721 NE2 HIS A 43 11.894 5.180 -7.954 1.00 0.00 N flip ATOM 0 H HIS A 43 12.146 7.625 -3.581 1.00 0.00 H new ATOM 0 HA HIS A 43 14.403 7.103 -5.317 1.00 0.00 H new ATOM 0 HB2 HIS A 43 11.816 8.686 -5.472 1.00 0.00 H new ATOM 0 HB3 HIS A 43 13.012 8.762 -6.751 1.00 0.00 H new ATOM 0 HD2 HIS A 43 13.516 6.557 -8.153 1.00 0.00 H new ATOM 0 HE1 HIS A 43 10.109 4.350 -7.126 1.00 0.00 H new ATOM 0 HE2 HIS A 43 12.090 4.525 -8.711 1.00 0.00 H new ATOM 730 N ASN A 44 14.090 9.919 -3.769 1.00 0.00 N ATOM 731 CA ASN A 44 14.749 11.169 -3.481 1.00 0.00 C ATOM 732 C ASN A 44 16.175 10.952 -3.023 1.00 0.00 C ATOM 733 O ASN A 44 17.034 11.799 -3.253 1.00 0.00 O ATOM 734 CB ASN A 44 13.951 11.953 -2.458 1.00 0.00 C ATOM 735 CG ASN A 44 13.195 13.083 -3.114 1.00 0.00 C ATOM 736 OD1 ASN A 44 12.105 12.883 -3.659 1.00 0.00 O ATOM 737 ND2 ASN A 44 13.792 14.267 -3.102 1.00 0.00 N ATOM 0 H ASN A 44 13.282 9.720 -3.179 1.00 0.00 H new ATOM 0 HA ASN A 44 14.798 11.752 -4.401 1.00 0.00 H new ATOM 0 HB2 ASN A 44 13.252 11.289 -1.950 1.00 0.00 H new ATOM 0 HB3 ASN A 44 14.621 12.352 -1.697 1.00 0.00 H new ATOM 0 HD21 ASN A 44 13.350 15.066 -3.557 1.00 0.00 H new ATOM 0 HD22 ASN A 44 14.693 14.379 -2.637 1.00 0.00 H new ATOM 744 N ARG A 45 16.419 9.811 -2.389 1.00 0.00 N ATOM 745 CA ARG A 45 17.751 9.459 -1.914 1.00 0.00 C ATOM 746 C ARG A 45 18.547 8.730 -3.004 1.00 0.00 C ATOM 747 O ARG A 45 19.765 8.578 -2.914 1.00 0.00 O ATOM 748 CB ARG A 45 17.633 8.574 -0.675 1.00 0.00 C ATOM 749 CG ARG A 45 17.532 9.356 0.623 1.00 0.00 C ATOM 750 CD ARG A 45 18.893 9.855 1.079 1.00 0.00 C ATOM 751 NE ARG A 45 19.832 8.757 1.301 1.00 0.00 N ATOM 752 CZ ARG A 45 21.074 8.922 1.750 1.00 0.00 C ATOM 753 NH1 ARG A 45 21.531 10.137 2.026 1.00 0.00 N ATOM 754 NH2 ARG A 45 21.861 7.869 1.925 1.00 0.00 N ATOM 0 H ARG A 45 15.706 9.109 -2.191 1.00 0.00 H new ATOM 0 HA ARG A 45 18.283 10.376 -1.660 1.00 0.00 H new ATOM 0 HB2 ARG A 45 16.754 7.938 -0.776 1.00 0.00 H new ATOM 0 HB3 ARG A 45 18.500 7.915 -0.626 1.00 0.00 H new ATOM 0 HG2 ARG A 45 16.859 10.203 0.488 1.00 0.00 H new ATOM 0 HG3 ARG A 45 17.097 8.724 1.397 1.00 0.00 H new ATOM 0 HD2 ARG A 45 19.300 10.534 0.330 1.00 0.00 H new ATOM 0 HD3 ARG A 45 18.780 10.427 2.000 1.00 0.00 H new ATOM 0 HE ARG A 45 19.517 7.808 1.100 1.00 0.00 H new ATOM 0 HH11 ARG A 45 20.930 10.950 1.894 1.00 0.00 H new ATOM 0 HH12 ARG A 45 22.484 10.258 2.370 1.00 0.00 H new ATOM 0 HH21 ARG A 45 21.514 6.933 1.715 1.00 0.00 H new ATOM 0 HH22 ARG A 45 22.813 7.995 2.269 1.00 0.00 H new ATOM 768 N LYS A 46 17.819 8.241 -4.004 1.00 0.00 N ATOM 769 CA LYS A 46 18.389 7.468 -5.112 1.00 0.00 C ATOM 770 C LYS A 46 19.280 8.285 -6.065 1.00 0.00 C ATOM 771 O LYS A 46 20.477 8.013 -6.188 1.00 0.00 O ATOM 772 CB LYS A 46 17.214 6.900 -5.871 1.00 0.00 C ATOM 773 CG LYS A 46 17.141 5.381 -5.861 1.00 0.00 C ATOM 774 CD LYS A 46 15.787 4.882 -6.343 1.00 0.00 C ATOM 775 CE LYS A 46 15.114 3.999 -5.304 1.00 0.00 C ATOM 776 NZ LYS A 46 13.787 3.508 -5.767 1.00 0.00 N ATOM 0 H LYS A 46 16.809 8.369 -4.072 1.00 0.00 H new ATOM 0 HA LYS A 46 19.049 6.704 -4.701 1.00 0.00 H new ATOM 0 HB2 LYS A 46 16.293 7.300 -5.446 1.00 0.00 H new ATOM 0 HB3 LYS A 46 17.263 7.243 -6.904 1.00 0.00 H new ATOM 0 HG2 LYS A 46 17.927 4.974 -6.497 1.00 0.00 H new ATOM 0 HG3 LYS A 46 17.326 5.014 -4.852 1.00 0.00 H new ATOM 0 HD2 LYS A 46 15.144 5.733 -6.569 1.00 0.00 H new ATOM 0 HD3 LYS A 46 15.914 4.323 -7.270 1.00 0.00 H new ATOM 0 HE2 LYS A 46 15.757 3.148 -5.079 1.00 0.00 H new ATOM 0 HE3 LYS A 46 14.990 4.559 -4.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 13.423 2.805 -5.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 13.123 4.306 -5.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 13.887 3.069 -6.705 1.00 0.00 H new ATOM 790 N PHE A 47 18.729 9.336 -6.675 1.00 0.00 N ATOM 791 CA PHE A 47 19.527 10.207 -7.531 1.00 0.00 C ATOM 792 C PHE A 47 20.477 10.871 -6.610 1.00 0.00 C ATOM 793 O PHE A 47 21.642 11.115 -6.908 1.00 0.00 O ATOM 794 CB PHE A 47 18.704 11.253 -8.265 1.00 0.00 C ATOM 795 CG PHE A 47 17.886 12.137 -7.383 1.00 0.00 C ATOM 796 CD1 PHE A 47 18.399 13.321 -6.879 1.00 0.00 C ATOM 797 CD2 PHE A 47 16.591 11.788 -7.084 1.00 0.00 C ATOM 798 CE1 PHE A 47 17.620 14.143 -6.088 1.00 0.00 C ATOM 799 CE2 PHE A 47 15.805 12.601 -6.292 1.00 0.00 C ATOM 800 CZ PHE A 47 16.320 13.783 -5.795 1.00 0.00 C ATOM 0 H PHE A 47 17.747 9.600 -6.593 1.00 0.00 H new ATOM 0 HA PHE A 47 20.010 9.624 -8.315 1.00 0.00 H new ATOM 0 HB2 PHE A 47 19.376 11.875 -8.856 1.00 0.00 H new ATOM 0 HB3 PHE A 47 18.040 10.747 -8.965 1.00 0.00 H new ATOM 0 HD1 PHE A 47 19.416 13.604 -7.106 1.00 0.00 H new ATOM 0 HD2 PHE A 47 16.183 10.867 -7.473 1.00 0.00 H new ATOM 0 HE1 PHE A 47 18.027 15.065 -5.700 1.00 0.00 H new ATOM 0 HE2 PHE A 47 14.790 12.314 -6.061 1.00 0.00 H new ATOM 0 HZ PHE A 47 15.707 14.424 -5.179 1.00 0.00 H new ATOM 810 N GLU A 48 19.938 11.073 -5.429 1.00 0.00 N ATOM 811 CA GLU A 48 20.655 11.606 -4.327 1.00 0.00 C ATOM 812 C GLU A 48 21.947 10.799 -4.150 1.00 0.00 C ATOM 813 O GLU A 48 22.873 11.215 -3.454 1.00 0.00 O ATOM 814 CB GLU A 48 19.751 11.474 -3.109 1.00 0.00 C ATOM 815 CG GLU A 48 19.471 12.795 -2.406 1.00 0.00 C ATOM 816 CD GLU A 48 20.378 13.019 -1.212 1.00 0.00 C ATOM 817 OE1 GLU A 48 21.599 13.189 -1.416 1.00 0.00 O ATOM 818 OE2 GLU A 48 19.867 13.025 -0.072 1.00 0.00 O ATOM 0 H GLU A 48 18.963 10.861 -5.218 1.00 0.00 H new ATOM 0 HA GLU A 48 20.926 12.651 -4.474 1.00 0.00 H new ATOM 0 HB2 GLU A 48 18.805 11.029 -3.417 1.00 0.00 H new ATOM 0 HB3 GLU A 48 20.211 10.786 -2.400 1.00 0.00 H new ATOM 0 HG2 GLU A 48 19.598 13.614 -3.114 1.00 0.00 H new ATOM 0 HG3 GLU A 48 18.432 12.816 -2.078 1.00 0.00 H new ATOM 825 N LYS A 49 21.981 9.633 -4.815 1.00 0.00 N ATOM 826 CA LYS A 49 23.121 8.735 -4.784 1.00 0.00 C ATOM 827 C LYS A 49 23.943 8.854 -6.059 1.00 0.00 C ATOM 828 O LYS A 49 24.709 7.948 -6.390 1.00 0.00 O ATOM 829 CB LYS A 49 22.645 7.289 -4.602 1.00 0.00 C ATOM 830 CG LYS A 49 23.329 6.565 -3.453 1.00 0.00 C ATOM 831 CD LYS A 49 24.641 5.935 -3.892 1.00 0.00 C ATOM 832 CE LYS A 49 24.497 4.436 -4.107 1.00 0.00 C ATOM 833 NZ LYS A 49 25.635 3.876 -4.887 1.00 0.00 N ATOM 0 H LYS A 49 21.209 9.295 -5.389 1.00 0.00 H new ATOM 0 HA LYS A 49 23.753 9.015 -3.941 1.00 0.00 H new ATOM 0 HB2 LYS A 49 21.568 7.288 -4.432 1.00 0.00 H new ATOM 0 HB3 LYS A 49 22.822 6.738 -5.525 1.00 0.00 H new ATOM 0 HG2 LYS A 49 23.515 7.266 -2.640 1.00 0.00 H new ATOM 0 HG3 LYS A 49 22.666 5.793 -3.063 1.00 0.00 H new ATOM 0 HD2 LYS A 49 24.980 6.405 -4.815 1.00 0.00 H new ATOM 0 HD3 LYS A 49 25.406 6.123 -3.139 1.00 0.00 H new ATOM 0 HE2 LYS A 49 24.437 3.935 -3.141 1.00 0.00 H new ATOM 0 HE3 LYS A 49 23.563 4.232 -4.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 25.500 2.852 -5.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 25.677 4.336 -5.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 26.524 4.048 -4.376 1.00 0.00 H new ATOM 847 N GLY A 50 23.759 9.951 -6.804 1.00 0.00 N ATOM 848 CA GLY A 50 24.482 10.102 -8.060 1.00 0.00 C ATOM 849 C GLY A 50 24.286 8.854 -8.884 1.00 0.00 C ATOM 850 O GLY A 50 25.172 8.401 -9.608 1.00 0.00 O ATOM 0 H GLY A 50 23.135 10.722 -6.565 1.00 0.00 H new ATOM 0 HA2 GLY A 50 24.118 10.974 -8.603 1.00 0.00 H new ATOM 0 HA3 GLY A 50 25.542 10.266 -7.868 1.00 0.00 H new ATOM 854 N GLU A 51 23.111 8.280 -8.687 1.00 0.00 N ATOM 855 CA GLU A 51 22.709 7.039 -9.300 1.00 0.00 C ATOM 856 C GLU A 51 21.980 7.251 -10.631 1.00 0.00 C ATOM 857 O GLU A 51 22.434 6.801 -11.684 1.00 0.00 O ATOM 858 CB GLU A 51 21.803 6.327 -8.288 1.00 0.00 C ATOM 859 CG GLU A 51 22.312 4.955 -7.874 1.00 0.00 C ATOM 860 CD GLU A 51 21.614 3.827 -8.609 1.00 0.00 C ATOM 861 OE1 GLU A 51 21.201 4.041 -9.768 1.00 0.00 O ATOM 862 OE2 GLU A 51 21.480 2.731 -8.025 1.00 0.00 O ATOM 0 H GLU A 51 22.396 8.680 -8.079 1.00 0.00 H new ATOM 0 HA GLU A 51 23.588 6.442 -9.542 1.00 0.00 H new ATOM 0 HB2 GLU A 51 21.703 6.951 -7.400 1.00 0.00 H new ATOM 0 HB3 GLU A 51 20.806 6.221 -8.717 1.00 0.00 H new ATOM 0 HG2 GLU A 51 23.384 4.897 -8.062 1.00 0.00 H new ATOM 0 HG3 GLU A 51 22.169 4.827 -6.801 1.00 0.00 H new ATOM 869 N VAL A 52 20.849 7.935 -10.561 1.00 0.00 N ATOM 870 CA VAL A 52 20.015 8.235 -11.706 1.00 0.00 C ATOM 871 C VAL A 52 19.202 9.405 -11.318 1.00 0.00 C ATOM 872 O VAL A 52 19.212 9.776 -10.157 1.00 0.00 O ATOM 873 CB VAL A 52 19.028 7.086 -12.038 1.00 0.00 C ATOM 874 CG1 VAL A 52 19.300 5.883 -11.165 1.00 0.00 C ATOM 875 CG2 VAL A 52 17.563 7.508 -11.879 1.00 0.00 C ATOM 0 H VAL A 52 20.480 8.304 -9.685 1.00 0.00 H new ATOM 0 HA VAL A 52 20.649 8.397 -12.577 1.00 0.00 H new ATOM 0 HB VAL A 52 19.191 6.829 -13.085 1.00 0.00 H new ATOM 0 HG11 VAL A 52 18.597 5.087 -11.413 1.00 0.00 H new ATOM 0 HG12 VAL A 52 20.318 5.533 -11.334 1.00 0.00 H new ATOM 0 HG13 VAL A 52 19.181 6.159 -10.117 1.00 0.00 H new ATOM 0 HG21 VAL A 52 16.914 6.667 -12.123 1.00 0.00 H new ATOM 0 HG22 VAL A 52 17.383 7.818 -10.850 1.00 0.00 H new ATOM 0 HG23 VAL A 52 17.349 8.339 -12.551 1.00 0.00 H new ATOM 885 N THR A 53 18.409 9.923 -12.210 1.00 0.00 N ATOM 886 CA THR A 53 17.538 10.953 -11.771 1.00 0.00 C ATOM 887 C THR A 53 16.118 10.407 -11.759 1.00 0.00 C ATOM 888 O THR A 53 15.399 10.421 -12.758 1.00 0.00 O ATOM 889 CB THR A 53 17.722 12.155 -12.664 1.00 0.00 C ATOM 890 OG1 THR A 53 17.090 13.299 -12.118 1.00 0.00 O ATOM 891 CG2 THR A 53 17.208 11.957 -14.074 1.00 0.00 C ATOM 0 H THR A 53 18.351 9.662 -13.194 1.00 0.00 H new ATOM 0 HA THR A 53 17.762 11.281 -10.756 1.00 0.00 H new ATOM 0 HB THR A 53 18.801 12.298 -12.719 1.00 0.00 H new ATOM 0 HG1 THR A 53 17.226 14.064 -12.715 1.00 0.00 H new ATOM 0 HG21 THR A 53 17.376 12.865 -14.653 1.00 0.00 H new ATOM 0 HG22 THR A 53 17.736 11.125 -14.540 1.00 0.00 H new ATOM 0 HG23 THR A 53 16.141 11.738 -14.045 1.00 0.00 H new ATOM 899 N TRP A 54 15.742 9.948 -10.572 1.00 0.00 N ATOM 900 CA TRP A 54 14.413 9.396 -10.301 1.00 0.00 C ATOM 901 C TRP A 54 13.897 9.858 -8.939 1.00 0.00 C ATOM 902 O TRP A 54 14.578 9.710 -7.928 1.00 0.00 O ATOM 903 CB TRP A 54 14.401 7.858 -10.363 1.00 0.00 C ATOM 904 CG TRP A 54 15.595 7.182 -9.746 1.00 0.00 C ATOM 905 CD1 TRP A 54 16.602 7.759 -9.025 1.00 0.00 C ATOM 906 CD2 TRP A 54 15.896 5.782 -9.800 1.00 0.00 C ATOM 907 NE1 TRP A 54 17.530 6.810 -8.664 1.00 0.00 N ATOM 908 CE2 TRP A 54 17.110 5.587 -9.114 1.00 0.00 C ATOM 909 CE3 TRP A 54 15.259 4.677 -10.369 1.00 0.00 C ATOM 910 CZ2 TRP A 54 17.698 4.331 -8.983 1.00 0.00 C ATOM 911 CZ3 TRP A 54 15.842 3.430 -10.235 1.00 0.00 C ATOM 912 CH2 TRP A 54 17.050 3.267 -9.547 1.00 0.00 C ATOM 0 H TRP A 54 16.356 9.947 -9.758 1.00 0.00 H new ATOM 0 HA TRP A 54 13.753 9.772 -11.083 1.00 0.00 H new ATOM 0 HB2 TRP A 54 13.501 7.497 -9.864 1.00 0.00 H new ATOM 0 HB3 TRP A 54 14.330 7.553 -11.407 1.00 0.00 H new ATOM 0 HD1 TRP A 54 16.661 8.808 -8.775 1.00 0.00 H new ATOM 0 HE1 TRP A 54 18.390 6.988 -8.146 1.00 0.00 H new ATOM 0 HE3 TRP A 54 14.328 4.794 -10.904 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 18.631 4.202 -8.455 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 15.357 2.568 -10.668 1.00 0.00 H new ATOM 0 HH2 TRP A 54 17.479 2.280 -9.460 1.00 0.00 H new ATOM 923 N LYS A 55 12.688 10.407 -8.919 1.00 0.00 N ATOM 924 CA LYS A 55 12.074 10.883 -7.679 1.00 0.00 C ATOM 925 C LYS A 55 10.887 10.053 -7.282 1.00 0.00 C ATOM 926 O LYS A 55 10.250 9.383 -8.097 1.00 0.00 O ATOM 927 CB LYS A 55 11.625 12.335 -7.713 1.00 0.00 C ATOM 928 CG LYS A 55 11.658 12.936 -9.095 1.00 0.00 C ATOM 929 CD LYS A 55 11.632 14.455 -9.050 1.00 0.00 C ATOM 930 CE LYS A 55 13.035 15.040 -9.088 1.00 0.00 C ATOM 931 NZ LYS A 55 13.532 15.380 -7.726 1.00 0.00 N ATOM 0 H LYS A 55 12.109 10.535 -9.749 1.00 0.00 H new ATOM 0 HA LYS A 55 12.878 10.790 -6.949 1.00 0.00 H new ATOM 0 HB2 LYS A 55 10.611 12.404 -7.318 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.265 12.922 -7.054 1.00 0.00 H new ATOM 0 HG2 LYS A 55 12.556 12.603 -9.615 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.805 12.575 -9.669 1.00 0.00 H new ATOM 0 HD2 LYS A 55 11.056 14.835 -9.894 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.124 14.784 -8.143 1.00 0.00 H new ATOM 0 HE2 LYS A 55 13.714 14.326 -9.554 1.00 0.00 H new ATOM 0 HE3 LYS A 55 13.038 15.935 -9.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 14.404 15.942 -7.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 12.809 15.931 -7.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 13.731 14.505 -7.200 1.00 0.00 H new ATOM 945 N MET A 56 10.607 10.128 -6.008 1.00 0.00 N ATOM 946 CA MET A 56 9.493 9.412 -5.413 1.00 0.00 C ATOM 947 C MET A 56 8.184 9.900 -6.034 1.00 0.00 C ATOM 948 O MET A 56 8.190 10.835 -6.835 1.00 0.00 O ATOM 949 CB MET A 56 9.430 9.712 -3.923 1.00 0.00 C ATOM 950 CG MET A 56 10.094 11.015 -3.508 1.00 0.00 C ATOM 951 SD MET A 56 9.449 12.431 -4.423 1.00 0.00 S ATOM 952 CE MET A 56 7.813 12.579 -3.711 1.00 0.00 C ATOM 0 H MET A 56 11.143 10.688 -5.345 1.00 0.00 H new ATOM 0 HA MET A 56 9.631 8.345 -5.586 1.00 0.00 H new ATOM 0 HB2 MET A 56 8.385 9.739 -3.616 1.00 0.00 H new ATOM 0 HB3 MET A 56 9.901 8.892 -3.381 1.00 0.00 H new ATOM 0 HG2 MET A 56 9.942 11.174 -2.441 1.00 0.00 H new ATOM 0 HG3 MET A 56 11.169 10.940 -3.669 1.00 0.00 H new ATOM 0 HE1 MET A 56 7.075 12.659 -4.509 1.00 0.00 H new ATOM 0 HE2 MET A 56 7.599 11.699 -3.105 1.00 0.00 H new ATOM 0 HE3 MET A 56 7.768 13.470 -3.085 1.00 0.00 H new ATOM 962 N GLY A 57 7.061 9.286 -5.660 1.00 0.00 N ATOM 963 CA GLY A 57 5.793 9.712 -6.197 1.00 0.00 C ATOM 964 C GLY A 57 4.624 9.285 -5.337 1.00 0.00 C ATOM 965 O GLY A 57 3.473 9.473 -5.726 1.00 0.00 O ATOM 0 H GLY A 57 7.014 8.509 -5.001 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.790 10.798 -6.294 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.671 9.302 -7.199 1.00 0.00 H new ATOM 969 N ILE A 58 4.906 8.708 -4.161 1.00 0.00 N ATOM 970 CA ILE A 58 3.846 8.271 -3.276 1.00 0.00 C ATOM 971 C ILE A 58 3.000 7.275 -4.010 1.00 0.00 C ATOM 972 O ILE A 58 2.113 7.655 -4.776 1.00 0.00 O ATOM 973 CB ILE A 58 2.967 9.449 -2.886 1.00 0.00 C ATOM 974 CG1 ILE A 58 3.779 10.506 -2.125 1.00 0.00 C ATOM 975 CG2 ILE A 58 1.754 8.992 -2.080 1.00 0.00 C ATOM 976 CD1 ILE A 58 3.837 10.283 -0.625 1.00 0.00 C ATOM 0 H ILE A 58 5.850 8.540 -3.814 1.00 0.00 H new ATOM 0 HA ILE A 58 4.283 7.833 -2.378 1.00 0.00 H new ATOM 0 HB ILE A 58 2.594 9.909 -3.801 1.00 0.00 H new ATOM 0 HG12 ILE A 58 4.795 10.520 -2.519 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.348 11.488 -2.319 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.145 9.857 -1.816 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.161 8.299 -2.677 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.088 8.493 -1.171 1.00 0.00 H new ATOM 0 HD11 ILE A 58 4.429 11.073 -0.162 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.827 10.299 -0.215 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.297 9.317 -0.418 1.00 0.00 H new ATOM 988 N ASN A 59 3.293 6.013 -3.837 1.00 0.00 N ATOM 989 CA ASN A 59 2.557 5.028 -4.566 1.00 0.00 C ATOM 990 C ASN A 59 1.089 4.976 -4.137 1.00 0.00 C ATOM 991 O ASN A 59 0.751 5.281 -2.993 1.00 0.00 O ATOM 992 CB ASN A 59 3.208 3.648 -4.448 1.00 0.00 C ATOM 993 CG ASN A 59 4.608 3.618 -5.027 1.00 0.00 C ATOM 994 OD1 ASN A 59 5.587 3.423 -4.307 1.00 0.00 O ATOM 995 ND2 ASN A 59 4.712 3.812 -6.337 1.00 0.00 N ATOM 0 H ASN A 59 4.017 5.654 -3.214 1.00 0.00 H new ATOM 0 HA ASN A 59 2.580 5.326 -5.614 1.00 0.00 H new ATOM 0 HB2 ASN A 59 3.245 3.356 -3.399 1.00 0.00 H new ATOM 0 HB3 ASN A 59 2.589 2.912 -4.962 1.00 0.00 H new ATOM 0 HD21 ASN A 59 5.629 3.803 -6.783 1.00 0.00 H new ATOM 0 HD22 ASN A 59 3.874 3.970 -6.897 1.00 0.00 H new ATOM 1002 N HIS A 60 0.227 4.589 -5.075 1.00 0.00 N ATOM 1003 CA HIS A 60 -1.211 4.492 -4.829 1.00 0.00 C ATOM 1004 C HIS A 60 -1.506 3.639 -3.595 1.00 0.00 C ATOM 1005 O HIS A 60 -2.219 4.062 -2.669 1.00 0.00 O ATOM 1006 CB HIS A 60 -1.903 3.901 -6.064 1.00 0.00 C ATOM 1007 CG HIS A 60 -3.326 3.488 -5.841 1.00 0.00 C ATOM 1008 ND1 HIS A 60 -3.689 2.462 -4.994 1.00 0.00 N ATOM 1009 CD2 HIS A 60 -4.478 3.958 -6.373 1.00 0.00 C ATOM 1010 CE1 HIS A 60 -5.002 2.319 -5.017 1.00 0.00 C ATOM 1011 NE2 HIS A 60 -5.505 3.215 -5.846 1.00 0.00 N ATOM 0 H HIS A 60 0.504 4.335 -6.023 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.599 5.493 -4.639 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.873 4.636 -6.868 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -1.335 3.034 -6.403 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -3.044 1.901 -4.437 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -4.572 4.768 -7.081 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -5.568 1.592 -4.453 1.00 0.00 H new ATOM 1020 N LEU A 61 -0.967 2.431 -3.567 1.00 0.00 N ATOM 1021 CA LEU A 61 -1.213 1.578 -2.428 1.00 0.00 C ATOM 1022 C LEU A 61 -0.478 2.058 -1.214 1.00 0.00 C ATOM 1023 O LEU A 61 -0.648 1.477 -0.156 1.00 0.00 O ATOM 1024 CB LEU A 61 -0.852 0.111 -2.669 1.00 0.00 C ATOM 1025 CG LEU A 61 0.639 -0.268 -2.743 1.00 0.00 C ATOM 1026 CD1 LEU A 61 1.144 -0.203 -4.175 1.00 0.00 C ATOM 1027 CD2 LEU A 61 1.522 0.573 -1.825 1.00 0.00 C ATOM 0 H LEU A 61 -0.376 2.033 -4.297 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.289 1.635 -2.265 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.307 -0.479 -1.873 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.321 -0.198 -3.603 1.00 0.00 H new ATOM 0 HG LEU A 61 0.709 -1.295 -2.385 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.199 -0.475 -4.201 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.575 -0.897 -4.793 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.020 0.810 -4.559 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.559 0.254 -1.926 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.437 1.624 -2.101 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.201 0.442 -0.792 1.00 0.00 H new ATOM 1039 N ALA A 62 0.347 3.105 -1.332 1.00 0.00 N ATOM 1040 CA ALA A 62 1.074 3.559 -0.164 1.00 0.00 C ATOM 1041 C ALA A 62 0.124 3.983 0.921 1.00 0.00 C ATOM 1042 O ALA A 62 0.546 4.364 2.005 1.00 0.00 O ATOM 1043 CB ALA A 62 2.055 4.663 -0.433 1.00 0.00 C ATOM 0 H ALA A 62 0.517 3.629 -2.191 1.00 0.00 H new ATOM 0 HA ALA A 62 1.661 2.699 0.158 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.554 4.941 0.496 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.797 4.323 -1.156 1.00 0.00 H new ATOM 0 HB3 ALA A 62 1.528 5.528 -0.834 1.00 0.00 H new ATOM 1049 N ASP A 63 -1.161 3.861 0.646 1.00 0.00 N ATOM 1050 CA ASP A 63 -2.167 4.166 1.605 1.00 0.00 C ATOM 1051 C ASP A 63 -2.936 2.916 1.822 1.00 0.00 C ATOM 1052 O ASP A 63 -3.415 2.668 2.905 1.00 0.00 O ATOM 1053 CB ASP A 63 -3.050 5.283 1.089 1.00 0.00 C ATOM 1054 CG ASP A 63 -3.870 5.984 2.174 1.00 0.00 C ATOM 1055 OD1 ASP A 63 -3.324 6.205 3.276 1.00 0.00 O ATOM 1056 OD2 ASP A 63 -5.067 6.315 1.918 1.00 0.00 O ATOM 0 H ASP A 63 -1.521 3.546 -0.255 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.740 4.512 2.546 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.426 6.022 0.586 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.730 4.877 0.340 1.00 0.00 H new ATOM 1061 N LEU A 64 -2.989 2.087 0.793 1.00 0.00 N ATOM 1062 CA LEU A 64 -3.647 0.820 0.928 1.00 0.00 C ATOM 1063 C LEU A 64 -2.817 -0.292 0.327 1.00 0.00 C ATOM 1064 O LEU A 64 -2.890 -0.600 -0.850 1.00 0.00 O ATOM 1065 CB LEU A 64 -4.973 0.854 0.244 1.00 0.00 C ATOM 1066 CG LEU A 64 -4.872 1.255 -1.223 1.00 0.00 C ATOM 1067 CD1 LEU A 64 -4.744 0.047 -2.111 1.00 0.00 C ATOM 1068 CD2 LEU A 64 -6.045 2.122 -1.646 1.00 0.00 C ATOM 0 H LEU A 64 -2.588 2.273 -0.126 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.781 0.628 1.993 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.439 -0.129 0.316 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.626 1.555 0.763 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.966 1.850 -1.336 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.674 0.366 -3.151 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.847 -0.510 -1.841 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.619 -0.591 -1.985 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.940 2.389 -2.698 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.975 1.571 -1.503 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.064 3.029 -1.042 1.00 0.00 H new ATOM 1080 N THR A 65 -2.058 -0.904 1.170 1.00 0.00 N ATOM 1081 CA THR A 65 -1.208 -2.028 0.787 1.00 0.00 C ATOM 1082 C THR A 65 -1.829 -3.298 1.337 1.00 0.00 C ATOM 1083 O THR A 65 -2.844 -3.221 2.011 1.00 0.00 O ATOM 1084 CB THR A 65 0.221 -1.904 1.339 1.00 0.00 C ATOM 1085 OG1 THR A 65 0.294 -0.952 2.358 1.00 0.00 O ATOM 1086 CG2 THR A 65 1.249 -1.551 0.293 1.00 0.00 C ATOM 0 H THR A 65 -1.994 -0.653 2.156 1.00 0.00 H new ATOM 0 HA THR A 65 -1.140 -2.043 -0.301 1.00 0.00 H new ATOM 0 HB THR A 65 0.454 -2.897 1.723 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.061 -1.149 2.936 1.00 0.00 H new ATOM 0 HG21 THR A 65 2.232 -1.481 0.758 1.00 0.00 H new ATOM 0 HG22 THR A 65 1.265 -2.323 -0.476 1.00 0.00 H new ATOM 0 HG23 THR A 65 0.993 -0.593 -0.160 1.00 0.00 H new ATOM 1094 N PRO A 66 -1.205 -4.480 1.138 1.00 0.00 N ATOM 1095 CA PRO A 66 -1.684 -5.744 1.714 1.00 0.00 C ATOM 1096 C PRO A 66 -2.300 -5.511 3.087 1.00 0.00 C ATOM 1097 O PRO A 66 -3.240 -6.195 3.488 1.00 0.00 O ATOM 1098 CB PRO A 66 -0.381 -6.557 1.838 1.00 0.00 C ATOM 1099 CG PRO A 66 0.680 -5.558 1.517 1.00 0.00 C ATOM 1100 CD PRO A 66 0.056 -4.719 0.459 1.00 0.00 C ATOM 0 HA PRO A 66 -2.456 -6.233 1.120 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.257 -6.967 2.840 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.364 -7.398 1.145 1.00 0.00 H new ATOM 0 HG2 PRO A 66 0.952 -4.966 2.391 1.00 0.00 H new ATOM 0 HG3 PRO A 66 1.591 -6.040 1.162 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.612 -3.805 0.253 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.060 -5.242 -0.490 1.00 0.00 H new ATOM 1108 N GLU A 67 -1.785 -4.492 3.786 1.00 0.00 N ATOM 1109 CA GLU A 67 -2.320 -4.123 5.090 1.00 0.00 C ATOM 1110 C GLU A 67 -3.789 -3.856 4.913 1.00 0.00 C ATOM 1111 O GLU A 67 -4.660 -4.464 5.532 1.00 0.00 O ATOM 1112 CB GLU A 67 -1.708 -2.783 5.556 1.00 0.00 C ATOM 1113 CG GLU A 67 -0.368 -2.429 4.941 1.00 0.00 C ATOM 1114 CD GLU A 67 0.616 -3.584 4.951 1.00 0.00 C ATOM 1115 OE1 GLU A 67 0.490 -4.466 5.827 1.00 0.00 O ATOM 1116 OE2 GLU A 67 1.513 -3.608 4.081 1.00 0.00 O ATOM 0 H GLU A 67 -1.005 -3.916 3.469 1.00 0.00 H new ATOM 0 HA GLU A 67 -2.105 -4.918 5.804 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.414 -1.983 5.331 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.594 -2.813 6.640 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.522 -2.100 3.913 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.063 -1.588 5.484 1.00 0.00 H new ATOM 1123 N GLU A 68 -4.010 -2.943 3.994 1.00 0.00 N ATOM 1124 CA GLU A 68 -5.329 -2.527 3.584 1.00 0.00 C ATOM 1125 C GLU A 68 -5.955 -3.561 2.664 1.00 0.00 C ATOM 1126 O GLU A 68 -7.096 -3.978 2.833 1.00 0.00 O ATOM 1127 CB GLU A 68 -5.229 -1.191 2.877 1.00 0.00 C ATOM 1128 CG GLU A 68 -6.558 -0.705 2.350 1.00 0.00 C ATOM 1129 CD GLU A 68 -6.909 -1.361 1.036 1.00 0.00 C ATOM 1130 OE1 GLU A 68 -5.969 -1.656 0.265 1.00 0.00 O ATOM 1131 OE2 GLU A 68 -8.110 -1.585 0.777 1.00 0.00 O ATOM 0 H GLU A 68 -3.260 -2.459 3.501 1.00 0.00 H new ATOM 0 HA GLU A 68 -5.964 -2.430 4.465 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.824 -0.450 3.566 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.524 -1.275 2.050 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -7.339 -0.914 3.082 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -6.525 0.377 2.220 1.00 0.00 H new ATOM 1138 N PHE A 69 -5.170 -3.924 1.659 1.00 0.00 N ATOM 1139 CA PHE A 69 -5.566 -4.866 0.628 1.00 0.00 C ATOM 1140 C PHE A 69 -6.090 -6.171 1.225 1.00 0.00 C ATOM 1141 O PHE A 69 -7.153 -6.659 0.837 1.00 0.00 O ATOM 1142 CB PHE A 69 -4.350 -5.135 -0.271 1.00 0.00 C ATOM 1143 CG PHE A 69 -4.281 -4.279 -1.512 1.00 0.00 C ATOM 1144 CD1 PHE A 69 -5.114 -4.553 -2.585 1.00 0.00 C ATOM 1145 CD2 PHE A 69 -3.376 -3.213 -1.622 1.00 0.00 C ATOM 1146 CE1 PHE A 69 -5.058 -3.796 -3.738 1.00 0.00 C ATOM 1147 CE2 PHE A 69 -3.325 -2.458 -2.779 1.00 0.00 C ATOM 1148 CZ PHE A 69 -4.164 -2.751 -3.836 1.00 0.00 C ATOM 0 H PHE A 69 -4.223 -3.564 1.538 1.00 0.00 H new ATOM 0 HA PHE A 69 -6.381 -4.436 0.045 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -3.443 -4.979 0.312 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -4.361 -6.183 -0.569 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.817 -5.370 -2.518 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -2.716 -2.981 -0.799 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -5.715 -4.023 -4.564 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -2.627 -1.637 -2.856 1.00 0.00 H new ATOM 0 HZ PHE A 69 -4.120 -2.161 -4.740 1.00 0.00 H new ATOM 1158 N ALA A 70 -5.339 -6.735 2.163 1.00 0.00 N ATOM 1159 CA ALA A 70 -5.722 -7.987 2.806 1.00 0.00 C ATOM 1160 C ALA A 70 -6.728 -7.774 3.937 1.00 0.00 C ATOM 1161 O ALA A 70 -7.498 -8.677 4.267 1.00 0.00 O ATOM 1162 CB ALA A 70 -4.487 -8.704 3.329 1.00 0.00 C ATOM 0 H ALA A 70 -4.458 -6.344 2.497 1.00 0.00 H new ATOM 0 HA ALA A 70 -6.210 -8.604 2.052 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.783 -9.638 3.807 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -3.813 -8.919 2.500 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -3.978 -8.070 4.055 1.00 0.00 H new ATOM 1168 N GLN A 71 -6.711 -6.590 4.543 1.00 0.00 N ATOM 1169 CA GLN A 71 -7.619 -6.290 5.650 1.00 0.00 C ATOM 1170 C GLN A 71 -8.881 -5.566 5.182 1.00 0.00 C ATOM 1171 O GLN A 71 -9.807 -5.355 5.967 1.00 0.00 O ATOM 1172 CB GLN A 71 -6.902 -5.450 6.709 1.00 0.00 C ATOM 1173 CG GLN A 71 -7.564 -5.501 8.077 1.00 0.00 C ATOM 1174 CD GLN A 71 -6.583 -5.823 9.188 1.00 0.00 C ATOM 1175 OE1 GLN A 71 -5.537 -6.429 8.953 1.00 0.00 O ATOM 1176 NE2 GLN A 71 -6.917 -5.418 10.409 1.00 0.00 N ATOM 0 H GLN A 71 -6.084 -5.826 4.290 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.926 -7.242 6.082 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -5.872 -5.796 6.800 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -6.861 -4.414 6.373 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -8.038 -4.541 8.283 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -8.354 -6.252 8.066 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -7.794 -4.919 10.559 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -6.297 -5.606 11.196 1.00 0.00 H new ATOM 1185 N ARG A 72 -8.929 -5.199 3.905 1.00 0.00 N ATOM 1186 CA ARG A 72 -10.091 -4.519 3.355 1.00 0.00 C ATOM 1187 C ARG A 72 -11.093 -5.547 2.863 1.00 0.00 C ATOM 1188 O ARG A 72 -12.305 -5.354 2.962 1.00 0.00 O ATOM 1189 CB ARG A 72 -9.692 -3.575 2.215 1.00 0.00 C ATOM 1190 CG ARG A 72 -9.113 -4.287 1.002 1.00 0.00 C ATOM 1191 CD ARG A 72 -10.074 -4.253 -0.177 1.00 0.00 C ATOM 1192 NE ARG A 72 -9.443 -4.712 -1.412 1.00 0.00 N ATOM 1193 CZ ARG A 72 -9.256 -5.995 -1.716 1.00 0.00 C ATOM 1194 NH1 ARG A 72 -9.646 -6.946 -0.879 1.00 0.00 N ATOM 1195 NH2 ARG A 72 -8.676 -6.325 -2.863 1.00 0.00 N ATOM 0 H ARG A 72 -8.177 -5.362 3.235 1.00 0.00 H new ATOM 0 HA ARG A 72 -10.546 -3.916 4.141 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -10.567 -3.004 1.906 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -8.960 -2.859 2.588 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.171 -3.817 0.718 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -8.888 -5.322 1.260 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -10.939 -4.879 0.042 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -10.443 -3.237 -0.315 1.00 0.00 H new ATOM 0 HE ARG A 72 -9.127 -4.009 -2.080 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -10.092 -6.697 0.004 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -9.500 -7.927 -1.118 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -8.374 -5.597 -3.510 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -8.532 -7.307 -3.098 1.00 0.00 H new ATOM 1209 N SER A 73 -10.567 -6.653 2.343 1.00 0.00 N ATOM 1210 CA SER A 73 -11.398 -7.736 1.844 1.00 0.00 C ATOM 1211 C SER A 73 -10.545 -8.824 1.198 1.00 0.00 C ATOM 1212 O SER A 73 -10.876 -9.336 0.128 1.00 0.00 O ATOM 1213 CB SER A 73 -12.432 -7.209 0.844 1.00 0.00 C ATOM 1214 OG SER A 73 -13.734 -7.663 1.171 1.00 0.00 O ATOM 0 H SER A 73 -9.564 -6.819 2.258 1.00 0.00 H new ATOM 0 HA SER A 73 -11.926 -8.172 2.692 1.00 0.00 H new ATOM 0 HB2 SER A 73 -12.414 -6.119 0.838 1.00 0.00 H new ATOM 0 HB3 SER A 73 -12.171 -7.538 -0.162 1.00 0.00 H new ATOM 0 HG SER A 73 -14.376 -7.312 0.519 1.00 0.00 H new ATOM 1220 N GLY A 74 -9.444 -9.172 1.856 1.00 0.00 N ATOM 1221 CA GLY A 74 -8.560 -10.197 1.333 1.00 0.00 C ATOM 1222 C GLY A 74 -8.494 -11.421 2.226 1.00 0.00 C ATOM 1223 O GLY A 74 -9.189 -12.408 1.989 1.00 0.00 O ATOM 0 H GLY A 74 -9.148 -8.762 2.742 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -8.900 -10.494 0.341 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.559 -9.783 1.216 1.00 0.00 H new ATOM 1227 N LYS A 75 -7.655 -11.357 3.256 1.00 0.00 N ATOM 1228 CA LYS A 75 -7.500 -12.468 4.187 1.00 0.00 C ATOM 1229 C LYS A 75 -7.364 -11.964 5.621 1.00 0.00 C ATOM 1230 O LYS A 75 -6.769 -10.915 5.866 1.00 0.00 O ATOM 1231 CB LYS A 75 -6.277 -13.309 3.812 1.00 0.00 C ATOM 1232 CG LYS A 75 -6.363 -14.752 4.285 1.00 0.00 C ATOM 1233 CD LYS A 75 -6.712 -15.693 3.143 1.00 0.00 C ATOM 1234 CE LYS A 75 -7.216 -17.032 3.658 1.00 0.00 C ATOM 1235 NZ LYS A 75 -6.903 -18.143 2.718 1.00 0.00 N ATOM 0 H LYS A 75 -7.072 -10.547 3.466 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.394 -13.089 4.123 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -6.156 -13.297 2.729 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -5.385 -12.848 4.237 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -5.411 -15.049 4.725 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.116 -14.835 5.069 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.474 -15.235 2.512 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.833 -15.850 2.518 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.766 -17.240 4.629 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -8.294 -16.979 3.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -7.263 -19.038 3.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -7.354 -17.958 1.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -5.873 -18.211 2.591 1.00 0.00 H new ATOM 1249 N LYS A 76 -7.920 -12.718 6.563 1.00 0.00 N ATOM 1250 CA LYS A 76 -7.859 -12.349 7.972 1.00 0.00 C ATOM 1251 C LYS A 76 -6.955 -13.303 8.747 1.00 0.00 C ATOM 1252 O LYS A 76 -6.840 -14.480 8.404 1.00 0.00 O ATOM 1253 CB LYS A 76 -9.263 -12.349 8.582 1.00 0.00 C ATOM 1254 CG LYS A 76 -9.944 -10.990 8.540 1.00 0.00 C ATOM 1255 CD LYS A 76 -10.947 -10.903 7.401 1.00 0.00 C ATOM 1256 CE LYS A 76 -11.702 -9.585 7.423 1.00 0.00 C ATOM 1257 NZ LYS A 76 -12.751 -9.526 6.367 1.00 0.00 N ATOM 0 H LYS A 76 -8.418 -13.588 6.376 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.440 -11.345 8.041 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -9.881 -13.073 8.051 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.200 -12.683 9.618 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.451 -10.807 9.487 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.193 -10.209 8.425 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -10.428 -11.010 6.449 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -11.654 -11.730 7.473 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -12.164 -9.448 8.401 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.000 -8.763 7.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -13.242 -8.611 6.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -12.308 -9.631 5.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -13.436 -10.295 6.514 1.00 0.00 H new ATOM 1271 N VAL A 77 -6.314 -12.787 9.790 1.00 0.00 N ATOM 1272 CA VAL A 77 -5.419 -13.593 10.611 1.00 0.00 C ATOM 1273 C VAL A 77 -5.411 -13.106 12.060 1.00 0.00 C ATOM 1274 O VAL A 77 -4.770 -12.105 12.380 1.00 0.00 O ATOM 1275 CB VAL A 77 -3.978 -13.562 10.067 1.00 0.00 C ATOM 1276 CG1 VAL A 77 -3.103 -14.557 10.813 1.00 0.00 C ATOM 1277 CG2 VAL A 77 -3.966 -13.845 8.572 1.00 0.00 C ATOM 0 H VAL A 77 -6.398 -11.815 10.087 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.794 -14.616 10.575 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.570 -12.564 10.228 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.089 -14.520 10.414 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -3.086 -14.303 11.873 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -3.506 -15.562 10.687 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.940 -13.819 8.205 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.394 -14.830 8.385 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.556 -13.089 8.054 1.00 0.00 H new ATOM 1287 N PRO A 78 -6.123 -13.808 12.959 1.00 0.00 N ATOM 1288 CA PRO A 78 -6.189 -13.436 14.377 1.00 0.00 C ATOM 1289 C PRO A 78 -4.805 -13.202 14.979 1.00 0.00 C ATOM 1290 O PRO A 78 -3.789 -13.540 14.371 1.00 0.00 O ATOM 1291 CB PRO A 78 -6.859 -14.645 15.031 1.00 0.00 C ATOM 1292 CG PRO A 78 -7.678 -15.254 13.947 1.00 0.00 C ATOM 1293 CD PRO A 78 -6.919 -15.017 12.669 1.00 0.00 C ATOM 0 HA PRO A 78 -6.728 -12.501 14.529 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -6.120 -15.349 15.412 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -7.479 -14.345 15.876 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -7.825 -16.320 14.121 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -8.667 -14.799 13.903 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.283 -15.865 12.417 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.592 -14.862 11.826 1.00 0.00 H new ATOM 1301 N PRO A 79 -4.746 -12.617 16.188 1.00 0.00 N ATOM 1302 CA PRO A 79 -3.478 -12.339 16.870 1.00 0.00 C ATOM 1303 C PRO A 79 -2.776 -13.613 17.327 1.00 0.00 C ATOM 1304 O PRO A 79 -3.282 -14.718 17.131 1.00 0.00 O ATOM 1305 CB PRO A 79 -3.898 -11.497 18.078 1.00 0.00 C ATOM 1306 CG PRO A 79 -5.315 -11.878 18.331 1.00 0.00 C ATOM 1307 CD PRO A 79 -5.910 -12.181 16.984 1.00 0.00 C ATOM 0 HA PRO A 79 -2.765 -11.839 16.215 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -3.271 -11.707 18.944 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -3.806 -10.431 17.869 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -5.374 -12.746 18.988 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -5.855 -11.069 18.823 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -6.669 -12.960 17.046 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -6.389 -11.304 16.549 1.00 0.00 H new ATOM 1315 N ASN A 80 -1.606 -13.451 17.938 1.00 0.00 N ATOM 1316 CA ASN A 80 -0.833 -14.588 18.424 1.00 0.00 C ATOM 1317 C ASN A 80 -0.457 -15.520 17.276 1.00 0.00 C ATOM 1318 O ASN A 80 0.687 -15.420 16.783 1.00 0.00 O ATOM 1319 CB ASN A 80 -1.627 -15.358 19.480 1.00 0.00 C ATOM 1320 CG ASN A 80 -0.747 -16.265 20.318 1.00 0.00 C ATOM 1321 OD1 ASN A 80 -0.598 -17.450 20.021 1.00 0.00 O ATOM 1322 ND2 ASN A 80 -0.159 -15.711 21.370 1.00 0.00 N ATOM 1323 OXT ASN A 80 -1.309 -16.342 16.879 1.00 0.00 O ATOM 0 H ASN A 80 -1.173 -12.543 18.108 1.00 0.00 H new ATOM 0 HA ASN A 80 0.083 -14.206 18.875 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -2.140 -14.651 20.132 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -2.396 -15.955 18.989 1.00 0.00 H new ATOM 0 HD21 ASN A 80 0.445 -16.272 21.971 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -0.311 -14.724 21.578 1.00 0.00 H new TER 1330 ASN A 80