USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 577 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 25 LYS NZ :NH3+ 155:sc= -0.0232 (180deg=0) USER MOD Set 1.2: A 41 LYS NZ :NH3+ 146:sc= 0.258 (180deg=0) USER MOD Single : A 8 HIS : no HD1:sc= -1.98! K(o=-2!,f=-0.69) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot -125:sc= 0.0877 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.786 K(o=-0.79,f=-3.6!) USER MOD Single : A 51 THR OG1 : rot 107:sc= -0.163 USER MOD Single : A 57 ASN : amide:sc= -1.44 K(o=-1.4,f=-5.6!) USER MOD Single : A 60 CYS SG : rot 180:sc= -0.0221 USER MOD Single : A 69 GLN : amide:sc= -0.408 X(o=-0.41,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0.0645 USER MOD Single : A 71 GLN : amide:sc= -0.517 K(o=-0.52,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= -0.0273 X(o=-0.027,f=-0.18) USER MOD Single : A 77 THR OG1 : rot -57:sc= 0.952 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0.0258 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 8 22.970 11.971 -11.955 1.00 0.00 N ATOM 2 CA HIS A 8 24.238 11.197 -12.080 1.00 0.00 C ATOM 3 C HIS A 8 25.251 12.006 -12.892 1.00 0.00 C ATOM 4 O HIS A 8 25.676 11.599 -13.954 1.00 0.00 O ATOM 5 CB HIS A 8 23.958 9.872 -12.791 1.00 0.00 C ATOM 6 CG HIS A 8 23.169 10.131 -14.044 1.00 0.00 C ATOM 7 ND1 HIS A 8 23.601 9.707 -15.292 1.00 0.00 N ATOM 8 CD2 HIS A 8 21.975 10.772 -14.259 1.00 0.00 C ATOM 9 CE1 HIS A 8 22.680 10.094 -16.193 1.00 0.00 C ATOM 10 NE2 HIS A 8 21.667 10.748 -15.616 1.00 0.00 N ATOM 0 HA HIS A 8 24.642 10.999 -11.087 1.00 0.00 H new ATOM 0 HB2 HIS A 8 24.896 9.373 -13.036 1.00 0.00 H new ATOM 0 HB3 HIS A 8 23.404 9.203 -12.132 1.00 0.00 H new ATOM 0 HD2 HIS A 8 21.366 11.226 -13.491 1.00 0.00 H new ATOM 0 HE1 HIS A 8 22.750 9.900 -17.253 1.00 0.00 H new ATOM 0 HE2 HIS A 8 20.845 11.144 -16.072 1.00 0.00 H new ATOM 20 N MET A 9 25.643 13.150 -12.400 1.00 0.00 N ATOM 21 CA MET A 9 26.628 13.983 -13.145 1.00 0.00 C ATOM 22 C MET A 9 27.732 14.445 -12.191 1.00 0.00 C ATOM 23 O MET A 9 28.905 14.304 -12.469 1.00 0.00 O ATOM 24 CB MET A 9 25.920 15.203 -13.737 1.00 0.00 C ATOM 25 CG MET A 9 25.589 14.938 -15.206 1.00 0.00 C ATOM 26 SD MET A 9 25.064 16.482 -15.994 1.00 0.00 S ATOM 27 CE MET A 9 26.700 17.027 -16.540 1.00 0.00 C ATOM 0 H MET A 9 25.323 13.543 -11.515 1.00 0.00 H new ATOM 0 HA MET A 9 27.068 13.393 -13.949 1.00 0.00 H new ATOM 0 HB2 MET A 9 25.007 15.413 -13.180 1.00 0.00 H new ATOM 0 HB3 MET A 9 26.556 16.084 -13.650 1.00 0.00 H new ATOM 0 HG2 MET A 9 26.461 14.533 -15.719 1.00 0.00 H new ATOM 0 HG3 MET A 9 24.799 14.191 -15.283 1.00 0.00 H new ATOM 0 HE1 MET A 9 26.611 17.980 -17.061 1.00 0.00 H new ATOM 0 HE2 MET A 9 27.351 17.146 -15.674 1.00 0.00 H new ATOM 0 HE3 MET A 9 27.125 16.283 -17.214 1.00 0.00 H new ATOM 37 N VAL A 10 27.364 14.997 -11.067 1.00 0.00 N ATOM 38 CA VAL A 10 28.392 15.468 -10.097 1.00 0.00 C ATOM 39 C VAL A 10 28.765 14.323 -9.153 1.00 0.00 C ATOM 40 O VAL A 10 28.238 13.232 -9.247 1.00 0.00 O ATOM 41 CB VAL A 10 27.830 16.635 -9.285 1.00 0.00 C ATOM 42 CG1 VAL A 10 27.588 17.831 -10.209 1.00 0.00 C ATOM 43 CG2 VAL A 10 26.509 16.216 -8.639 1.00 0.00 C ATOM 0 H VAL A 10 26.396 15.142 -10.779 1.00 0.00 H new ATOM 0 HA VAL A 10 29.279 15.796 -10.639 1.00 0.00 H new ATOM 0 HB VAL A 10 28.543 16.914 -8.509 1.00 0.00 H new ATOM 0 HG11 VAL A 10 27.187 18.663 -9.630 1.00 0.00 H new ATOM 0 HG12 VAL A 10 28.529 18.130 -10.671 1.00 0.00 H new ATOM 0 HG13 VAL A 10 26.875 17.553 -10.985 1.00 0.00 H new ATOM 0 HG21 VAL A 10 26.107 17.047 -8.060 1.00 0.00 H new ATOM 0 HG22 VAL A 10 25.797 15.937 -9.415 1.00 0.00 H new ATOM 0 HG23 VAL A 10 26.680 15.364 -7.981 1.00 0.00 H new ATOM 53 N GLU A 11 29.669 14.562 -8.244 1.00 0.00 N ATOM 54 CA GLU A 11 30.075 13.487 -7.295 1.00 0.00 C ATOM 55 C GLU A 11 30.431 14.108 -5.943 1.00 0.00 C ATOM 56 O GLU A 11 31.577 14.122 -5.538 1.00 0.00 O ATOM 57 CB GLU A 11 31.292 12.748 -7.854 1.00 0.00 C ATOM 58 CG GLU A 11 31.657 11.590 -6.924 1.00 0.00 C ATOM 59 CD GLU A 11 33.062 11.811 -6.361 1.00 0.00 C ATOM 60 OE1 GLU A 11 34.010 11.394 -7.007 1.00 0.00 O ATOM 61 OE2 GLU A 11 33.167 12.393 -5.294 1.00 0.00 O ATOM 0 H GLU A 11 30.145 15.455 -8.117 1.00 0.00 H new ATOM 0 HA GLU A 11 29.251 12.785 -7.166 1.00 0.00 H new ATOM 0 HB2 GLU A 11 31.075 12.371 -8.853 1.00 0.00 H new ATOM 0 HB3 GLU A 11 32.135 13.433 -7.948 1.00 0.00 H new ATOM 0 HG2 GLU A 11 30.935 11.521 -6.111 1.00 0.00 H new ATOM 0 HG3 GLU A 11 31.616 10.646 -7.468 1.00 0.00 H new ATOM 68 N GLU A 12 29.458 14.622 -5.241 1.00 0.00 N ATOM 69 CA GLU A 12 29.743 15.241 -3.915 1.00 0.00 C ATOM 70 C GLU A 12 29.732 14.158 -2.834 1.00 0.00 C ATOM 71 O GLU A 12 29.013 13.183 -2.926 1.00 0.00 O ATOM 72 CB GLU A 12 28.672 16.288 -3.601 1.00 0.00 C ATOM 73 CG GLU A 12 27.288 15.639 -3.667 1.00 0.00 C ATOM 74 CD GLU A 12 26.310 16.429 -2.797 1.00 0.00 C ATOM 75 OE1 GLU A 12 26.698 17.477 -2.307 1.00 0.00 O ATOM 76 OE2 GLU A 12 25.190 15.972 -2.634 1.00 0.00 O ATOM 0 H GLU A 12 28.479 14.640 -5.528 1.00 0.00 H new ATOM 0 HA GLU A 12 30.722 15.719 -3.939 1.00 0.00 H new ATOM 0 HB2 GLU A 12 28.840 16.710 -2.610 1.00 0.00 H new ATOM 0 HB3 GLU A 12 28.734 17.111 -4.313 1.00 0.00 H new ATOM 0 HG2 GLU A 12 26.935 15.614 -4.698 1.00 0.00 H new ATOM 0 HG3 GLU A 12 27.343 14.606 -3.324 1.00 0.00 H new ATOM 83 N VAL A 13 30.525 14.321 -1.811 1.00 0.00 N ATOM 84 CA VAL A 13 30.560 13.300 -0.726 1.00 0.00 C ATOM 85 C VAL A 13 30.432 13.994 0.632 1.00 0.00 C ATOM 86 O VAL A 13 30.988 15.051 0.855 1.00 0.00 O ATOM 87 CB VAL A 13 31.884 12.537 -0.788 1.00 0.00 C ATOM 88 CG1 VAL A 13 31.999 11.613 0.426 1.00 0.00 C ATOM 89 CG2 VAL A 13 31.928 11.701 -2.069 1.00 0.00 C ATOM 0 H VAL A 13 31.150 15.116 -1.679 1.00 0.00 H new ATOM 0 HA VAL A 13 29.733 12.602 -0.856 1.00 0.00 H new ATOM 0 HB VAL A 13 32.712 13.245 -0.785 1.00 0.00 H new ATOM 0 HG11 VAL A 13 32.943 11.069 0.381 1.00 0.00 H new ATOM 0 HG12 VAL A 13 31.965 12.207 1.340 1.00 0.00 H new ATOM 0 HG13 VAL A 13 31.171 10.904 0.423 1.00 0.00 H new ATOM 0 HG21 VAL A 13 32.871 11.156 -2.116 1.00 0.00 H new ATOM 0 HG22 VAL A 13 31.099 10.993 -2.070 1.00 0.00 H new ATOM 0 HG23 VAL A 13 31.845 12.358 -2.935 1.00 0.00 H new ATOM 99 N LEU A 14 29.704 13.407 1.543 1.00 0.00 N ATOM 100 CA LEU A 14 29.542 14.034 2.884 1.00 0.00 C ATOM 101 C LEU A 14 28.742 13.097 3.792 1.00 0.00 C ATOM 102 O LEU A 14 28.151 12.136 3.342 1.00 0.00 O ATOM 103 CB LEU A 14 28.794 15.361 2.738 1.00 0.00 C ATOM 104 CG LEU A 14 27.497 15.131 1.962 1.00 0.00 C ATOM 105 CD1 LEU A 14 26.422 14.598 2.910 1.00 0.00 C ATOM 106 CD2 LEU A 14 27.027 16.455 1.353 1.00 0.00 C ATOM 0 H LEU A 14 29.215 12.521 1.416 1.00 0.00 H new ATOM 0 HA LEU A 14 30.524 14.215 3.322 1.00 0.00 H new ATOM 0 HB2 LEU A 14 28.573 15.777 3.721 1.00 0.00 H new ATOM 0 HB3 LEU A 14 29.418 16.087 2.217 1.00 0.00 H new ATOM 0 HG LEU A 14 27.673 14.406 1.168 1.00 0.00 H new ATOM 0 HD11 LEU A 14 25.497 14.434 2.356 1.00 0.00 H new ATOM 0 HD12 LEU A 14 26.756 13.656 3.346 1.00 0.00 H new ATOM 0 HD13 LEU A 14 26.246 15.323 3.704 1.00 0.00 H new ATOM 0 HD21 LEU A 14 26.102 16.293 0.799 1.00 0.00 H new ATOM 0 HD22 LEU A 14 26.851 17.179 2.148 1.00 0.00 H new ATOM 0 HD23 LEU A 14 27.792 16.837 0.677 1.00 0.00 H new ATOM 118 N GLU A 15 28.719 13.369 5.069 1.00 0.00 N ATOM 119 CA GLU A 15 27.958 12.494 6.003 1.00 0.00 C ATOM 120 C GLU A 15 26.459 12.657 5.746 1.00 0.00 C ATOM 121 O GLU A 15 25.885 13.698 5.998 1.00 0.00 O ATOM 122 CB GLU A 15 28.273 12.891 7.447 1.00 0.00 C ATOM 123 CG GLU A 15 29.780 13.107 7.601 1.00 0.00 C ATOM 124 CD GLU A 15 30.203 12.755 9.028 1.00 0.00 C ATOM 125 OE1 GLU A 15 29.370 12.252 9.765 1.00 0.00 O ATOM 126 OE2 GLU A 15 31.352 12.993 9.360 1.00 0.00 O ATOM 0 H GLU A 15 29.195 14.159 5.505 1.00 0.00 H new ATOM 0 HA GLU A 15 28.245 11.455 5.841 1.00 0.00 H new ATOM 0 HB2 GLU A 15 27.736 13.802 7.710 1.00 0.00 H new ATOM 0 HB3 GLU A 15 27.935 12.113 8.131 1.00 0.00 H new ATOM 0 HG2 GLU A 15 30.322 12.487 6.887 1.00 0.00 H new ATOM 0 HG3 GLU A 15 30.034 14.144 7.380 1.00 0.00 H new ATOM 133 N GLU A 16 25.818 11.636 5.245 1.00 0.00 N ATOM 134 CA GLU A 16 24.356 11.734 4.972 1.00 0.00 C ATOM 135 C GLU A 16 23.613 12.040 6.273 1.00 0.00 C ATOM 136 O GLU A 16 22.871 12.997 6.365 1.00 0.00 O ATOM 137 CB GLU A 16 23.855 10.407 4.398 1.00 0.00 C ATOM 138 CG GLU A 16 23.609 10.558 2.895 1.00 0.00 C ATOM 139 CD GLU A 16 23.503 9.174 2.253 1.00 0.00 C ATOM 140 OE1 GLU A 16 22.962 8.286 2.891 1.00 0.00 O ATOM 141 OE2 GLU A 16 23.965 9.025 1.133 1.00 0.00 O ATOM 0 H GLU A 16 26.244 10.739 5.013 1.00 0.00 H new ATOM 0 HA GLU A 16 24.173 12.533 4.254 1.00 0.00 H new ATOM 0 HB2 GLU A 16 24.588 9.621 4.580 1.00 0.00 H new ATOM 0 HB3 GLU A 16 22.935 10.107 4.899 1.00 0.00 H new ATOM 0 HG2 GLU A 16 22.693 11.122 2.721 1.00 0.00 H new ATOM 0 HG3 GLU A 16 24.422 11.121 2.438 1.00 0.00 H new ATOM 148 N GLU A 17 23.806 11.234 7.282 1.00 0.00 N ATOM 149 CA GLU A 17 23.110 11.479 8.576 1.00 0.00 C ATOM 150 C GLU A 17 21.600 11.333 8.376 1.00 0.00 C ATOM 151 O GLU A 17 20.813 11.734 9.211 1.00 0.00 O ATOM 152 CB GLU A 17 23.426 12.894 9.065 1.00 0.00 C ATOM 153 CG GLU A 17 23.047 13.020 10.542 1.00 0.00 C ATOM 154 CD GLU A 17 24.099 13.860 11.270 1.00 0.00 C ATOM 155 OE1 GLU A 17 24.805 14.597 10.602 1.00 0.00 O ATOM 156 OE2 GLU A 17 24.181 13.750 12.481 1.00 0.00 O ATOM 0 H GLU A 17 24.416 10.417 7.265 1.00 0.00 H new ATOM 0 HA GLU A 17 23.451 10.755 9.316 1.00 0.00 H new ATOM 0 HB2 GLU A 17 24.486 13.108 8.931 1.00 0.00 H new ATOM 0 HB3 GLU A 17 22.876 13.626 8.474 1.00 0.00 H new ATOM 0 HG2 GLU A 17 22.066 13.484 10.638 1.00 0.00 H new ATOM 0 HG3 GLU A 17 22.978 12.032 10.996 1.00 0.00 H new ATOM 163 N GLU A 18 21.189 10.766 7.276 1.00 0.00 N ATOM 164 CA GLU A 18 19.731 10.596 7.023 1.00 0.00 C ATOM 165 C GLU A 18 19.296 9.197 7.466 1.00 0.00 C ATOM 166 O GLU A 18 19.711 8.202 6.906 1.00 0.00 O ATOM 167 CB GLU A 18 19.450 10.768 5.529 1.00 0.00 C ATOM 168 CG GLU A 18 18.107 11.476 5.341 1.00 0.00 C ATOM 169 CD GLU A 18 18.345 12.900 4.837 1.00 0.00 C ATOM 170 OE1 GLU A 18 19.039 13.047 3.844 1.00 0.00 O ATOM 171 OE2 GLU A 18 17.830 13.820 5.452 1.00 0.00 O ATOM 0 H GLU A 18 21.801 10.413 6.540 1.00 0.00 H new ATOM 0 HA GLU A 18 19.174 11.345 7.586 1.00 0.00 H new ATOM 0 HB2 GLU A 18 20.247 11.347 5.062 1.00 0.00 H new ATOM 0 HB3 GLU A 18 19.433 9.796 5.037 1.00 0.00 H new ATOM 0 HG2 GLU A 18 17.491 10.926 4.630 1.00 0.00 H new ATOM 0 HG3 GLU A 18 17.561 11.500 6.284 1.00 0.00 H new ATOM 178 N GLU A 19 18.464 9.114 8.467 1.00 0.00 N ATOM 179 CA GLU A 19 18.003 7.780 8.945 1.00 0.00 C ATOM 180 C GLU A 19 16.481 7.790 9.097 1.00 0.00 C ATOM 181 O GLU A 19 15.901 6.903 9.691 1.00 0.00 O ATOM 182 CB GLU A 19 18.650 7.471 10.298 1.00 0.00 C ATOM 183 CG GLU A 19 18.587 5.965 10.562 1.00 0.00 C ATOM 184 CD GLU A 19 18.009 5.715 11.957 1.00 0.00 C ATOM 185 OE1 GLU A 19 16.800 5.797 12.099 1.00 0.00 O ATOM 186 OE2 GLU A 19 18.785 5.444 12.859 1.00 0.00 O ATOM 0 H GLU A 19 18.083 9.912 8.975 1.00 0.00 H new ATOM 0 HA GLU A 19 18.290 7.016 8.222 1.00 0.00 H new ATOM 0 HB2 GLU A 19 19.686 7.809 10.303 1.00 0.00 H new ATOM 0 HB3 GLU A 19 18.135 8.012 11.092 1.00 0.00 H new ATOM 0 HG2 GLU A 19 17.968 5.478 9.808 1.00 0.00 H new ATOM 0 HG3 GLU A 19 19.583 5.530 10.486 1.00 0.00 H new ATOM 193 N GLU A 20 15.828 8.787 8.564 1.00 0.00 N ATOM 194 CA GLU A 20 14.344 8.853 8.678 1.00 0.00 C ATOM 195 C GLU A 20 13.722 8.800 7.281 1.00 0.00 C ATOM 196 O GLU A 20 14.196 9.428 6.356 1.00 0.00 O ATOM 197 CB GLU A 20 13.943 10.160 9.367 1.00 0.00 C ATOM 198 CG GLU A 20 13.894 9.946 10.881 1.00 0.00 C ATOM 199 CD GLU A 20 14.038 11.292 11.592 1.00 0.00 C ATOM 200 OE1 GLU A 20 14.968 12.014 11.271 1.00 0.00 O ATOM 201 OE2 GLU A 20 13.215 11.580 12.446 1.00 0.00 O ATOM 0 H GLU A 20 16.259 9.559 8.055 1.00 0.00 H new ATOM 0 HA GLU A 20 13.987 8.008 9.266 1.00 0.00 H new ATOM 0 HB2 GLU A 20 14.658 10.946 9.123 1.00 0.00 H new ATOM 0 HB3 GLU A 20 12.970 10.491 9.004 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.953 9.473 11.162 1.00 0.00 H new ATOM 0 HG3 GLU A 20 14.693 9.272 11.190 1.00 0.00 H new ATOM 208 N TYR A 21 12.663 8.054 7.121 1.00 0.00 N ATOM 209 CA TYR A 21 12.011 7.961 5.784 1.00 0.00 C ATOM 210 C TYR A 21 10.520 8.277 5.920 1.00 0.00 C ATOM 211 O TYR A 21 9.961 8.228 6.998 1.00 0.00 O ATOM 212 CB TYR A 21 12.184 6.546 5.229 1.00 0.00 C ATOM 213 CG TYR A 21 13.652 6.193 5.197 1.00 0.00 C ATOM 214 CD1 TYR A 21 14.597 7.158 4.823 1.00 0.00 C ATOM 215 CD2 TYR A 21 14.069 4.901 5.542 1.00 0.00 C ATOM 216 CE1 TYR A 21 15.959 6.830 4.794 1.00 0.00 C ATOM 217 CE2 TYR A 21 15.431 4.573 5.513 1.00 0.00 C ATOM 218 CZ TYR A 21 16.376 5.538 5.139 1.00 0.00 C ATOM 219 OH TYR A 21 17.717 5.216 5.109 1.00 0.00 O ATOM 0 H TYR A 21 12.221 7.505 7.858 1.00 0.00 H new ATOM 0 HA TYR A 21 12.473 8.677 5.104 1.00 0.00 H new ATOM 0 HB2 TYR A 21 11.641 5.832 5.848 1.00 0.00 H new ATOM 0 HB3 TYR A 21 11.762 6.483 4.226 1.00 0.00 H new ATOM 0 HD1 TYR A 21 14.276 8.154 4.557 1.00 0.00 H new ATOM 0 HD2 TYR A 21 13.341 4.158 5.830 1.00 0.00 H new ATOM 0 HE1 TYR A 21 16.687 7.573 4.506 1.00 0.00 H new ATOM 0 HE2 TYR A 21 15.752 3.577 5.779 1.00 0.00 H new ATOM 0 HH TYR A 21 17.853 4.434 4.534 1.00 0.00 H new ATOM 229 N VAL A 22 9.869 8.602 4.836 1.00 0.00 N ATOM 230 CA VAL A 22 8.415 8.919 4.908 1.00 0.00 C ATOM 231 C VAL A 22 7.671 8.176 3.796 1.00 0.00 C ATOM 232 O VAL A 22 8.268 7.678 2.862 1.00 0.00 O ATOM 233 CB VAL A 22 8.211 10.426 4.737 1.00 0.00 C ATOM 234 CG1 VAL A 22 6.896 10.842 5.397 1.00 0.00 C ATOM 235 CG2 VAL A 22 9.371 11.175 5.397 1.00 0.00 C ATOM 0 H VAL A 22 10.281 8.662 3.905 1.00 0.00 H new ATOM 0 HA VAL A 22 8.026 8.606 5.877 1.00 0.00 H new ATOM 0 HB VAL A 22 8.177 10.669 3.675 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.751 11.915 5.275 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.069 10.309 4.928 1.00 0.00 H new ATOM 0 HG13 VAL A 22 6.929 10.599 6.459 1.00 0.00 H new ATOM 0 HG21 VAL A 22 9.227 12.249 5.276 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.404 10.931 6.459 1.00 0.00 H new ATOM 0 HG23 VAL A 22 10.309 10.880 4.927 1.00 0.00 H new ATOM 245 N VAL A 23 6.370 8.101 3.887 1.00 0.00 N ATOM 246 CA VAL A 23 5.588 7.393 2.836 1.00 0.00 C ATOM 247 C VAL A 23 4.943 8.424 1.908 1.00 0.00 C ATOM 248 O VAL A 23 4.365 9.396 2.352 1.00 0.00 O ATOM 249 CB VAL A 23 4.498 6.547 3.495 1.00 0.00 C ATOM 250 CG1 VAL A 23 3.708 7.409 4.481 1.00 0.00 C ATOM 251 CG2 VAL A 23 3.551 6.008 2.420 1.00 0.00 C ATOM 0 H VAL A 23 5.816 8.500 4.645 1.00 0.00 H new ATOM 0 HA VAL A 23 6.250 6.746 2.260 1.00 0.00 H new ATOM 0 HB VAL A 23 4.958 5.714 4.027 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.931 6.806 4.950 1.00 0.00 H new ATOM 0 HG12 VAL A 23 4.381 7.795 5.247 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.248 8.242 3.949 1.00 0.00 H new ATOM 0 HG21 VAL A 23 2.774 5.405 2.889 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.092 6.842 1.888 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.112 5.393 1.716 1.00 0.00 H new ATOM 261 N GLU A 24 5.040 8.222 0.624 1.00 0.00 N ATOM 262 CA GLU A 24 4.434 9.195 -0.328 1.00 0.00 C ATOM 263 C GLU A 24 3.026 8.730 -0.707 1.00 0.00 C ATOM 264 O GLU A 24 2.160 9.528 -1.008 1.00 0.00 O ATOM 265 CB GLU A 24 5.298 9.284 -1.588 1.00 0.00 C ATOM 266 CG GLU A 24 5.573 10.753 -1.918 1.00 0.00 C ATOM 267 CD GLU A 24 4.383 11.337 -2.681 1.00 0.00 C ATOM 268 OE1 GLU A 24 4.090 10.837 -3.755 1.00 0.00 O ATOM 269 OE2 GLU A 24 3.786 12.275 -2.179 1.00 0.00 O ATOM 0 H GLU A 24 5.512 7.427 0.193 1.00 0.00 H new ATOM 0 HA GLU A 24 4.378 10.176 0.144 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.238 8.753 -1.435 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.791 8.802 -2.424 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.742 11.317 -1.001 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.480 10.838 -2.517 1.00 0.00 H new ATOM 276 N LYS A 25 2.789 7.446 -0.699 1.00 0.00 N ATOM 277 CA LYS A 25 1.439 6.937 -1.061 1.00 0.00 C ATOM 278 C LYS A 25 1.520 5.430 -1.302 1.00 0.00 C ATOM 279 O LYS A 25 2.591 4.859 -1.360 1.00 0.00 O ATOM 280 CB LYS A 25 0.953 7.633 -2.334 1.00 0.00 C ATOM 281 CG LYS A 25 2.137 7.861 -3.276 1.00 0.00 C ATOM 282 CD LYS A 25 1.794 7.321 -4.666 1.00 0.00 C ATOM 283 CE LYS A 25 1.076 8.405 -5.472 1.00 0.00 C ATOM 284 NZ LYS A 25 1.860 8.710 -6.702 1.00 0.00 N ATOM 0 H LYS A 25 3.473 6.729 -0.457 1.00 0.00 H new ATOM 0 HA LYS A 25 0.740 7.142 -0.250 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.195 7.025 -2.827 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.485 8.585 -2.084 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.370 8.924 -3.334 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.025 7.361 -2.889 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.703 7.011 -5.182 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.161 6.438 -4.579 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.074 8.070 -5.740 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.960 9.305 -4.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.226 9.093 -7.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.595 9.411 -6.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.307 7.839 -7.054 1.00 0.00 H new ATOM 298 N VAL A 26 0.399 4.780 -1.441 1.00 0.00 N ATOM 299 CA VAL A 26 0.422 3.311 -1.678 1.00 0.00 C ATOM 300 C VAL A 26 0.387 3.037 -3.183 1.00 0.00 C ATOM 301 O VAL A 26 -0.218 3.766 -3.943 1.00 0.00 O ATOM 302 CB VAL A 26 -0.792 2.668 -1.009 1.00 0.00 C ATOM 303 CG1 VAL A 26 -0.777 1.164 -1.270 1.00 0.00 C ATOM 304 CG2 VAL A 26 -0.734 2.914 0.499 1.00 0.00 C ATOM 0 H VAL A 26 -0.529 5.201 -1.401 1.00 0.00 H new ATOM 0 HA VAL A 26 1.333 2.887 -1.255 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.703 3.105 -1.417 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.642 0.703 -0.793 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.814 0.981 -2.344 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.136 0.733 -0.859 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.600 2.455 0.976 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.178 2.476 0.904 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.739 3.987 0.693 1.00 0.00 H new ATOM 314 N LEU A 27 1.036 1.993 -3.617 1.00 0.00 N ATOM 315 CA LEU A 27 1.045 1.673 -5.072 1.00 0.00 C ATOM 316 C LEU A 27 0.257 0.385 -5.320 1.00 0.00 C ATOM 317 O LEU A 27 -0.531 0.298 -6.240 1.00 0.00 O ATOM 318 CB LEU A 27 2.489 1.484 -5.543 1.00 0.00 C ATOM 319 CG LEU A 27 3.038 2.816 -6.056 1.00 0.00 C ATOM 320 CD1 LEU A 27 2.844 3.894 -4.989 1.00 0.00 C ATOM 321 CD2 LEU A 27 4.530 2.666 -6.363 1.00 0.00 C ATOM 0 H LEU A 27 1.561 1.347 -3.027 1.00 0.00 H new ATOM 0 HA LEU A 27 0.584 2.492 -5.625 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.105 1.117 -4.722 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.530 0.734 -6.333 1.00 0.00 H new ATOM 0 HG LEU A 27 2.506 3.103 -6.963 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.236 4.843 -5.355 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.782 4.001 -4.768 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.376 3.608 -4.082 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.923 3.614 -6.729 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.061 2.379 -5.456 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.670 1.898 -7.124 1.00 0.00 H new ATOM 333 N ASP A 28 0.465 -0.618 -4.510 1.00 0.00 N ATOM 334 CA ASP A 28 -0.275 -1.895 -4.711 1.00 0.00 C ATOM 335 C ASP A 28 0.025 -2.851 -3.553 1.00 0.00 C ATOM 336 O ASP A 28 0.708 -2.504 -2.610 1.00 0.00 O ATOM 337 CB ASP A 28 0.165 -2.537 -6.028 1.00 0.00 C ATOM 338 CG ASP A 28 -0.792 -2.120 -7.145 1.00 0.00 C ATOM 339 OD1 ASP A 28 -1.959 -1.914 -6.852 1.00 0.00 O ATOM 340 OD2 ASP A 28 -0.344 -2.014 -8.275 1.00 0.00 O ATOM 0 H ASP A 28 1.112 -0.608 -3.722 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.345 -1.691 -4.744 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.182 -2.230 -6.273 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.175 -3.623 -5.930 1.00 0.00 H new ATOM 345 N ARG A 29 -0.480 -4.053 -3.620 1.00 0.00 N ATOM 346 CA ARG A 29 -0.225 -5.031 -2.526 1.00 0.00 C ATOM 347 C ARG A 29 -0.261 -6.451 -3.095 1.00 0.00 C ATOM 348 O ARG A 29 -0.738 -6.679 -4.190 1.00 0.00 O ATOM 349 CB ARG A 29 -1.303 -4.884 -1.450 1.00 0.00 C ATOM 350 CG ARG A 29 -2.648 -5.356 -2.006 1.00 0.00 C ATOM 351 CD ARG A 29 -2.969 -6.746 -1.456 1.00 0.00 C ATOM 352 NE ARG A 29 -4.444 -6.954 -1.461 1.00 0.00 N ATOM 353 CZ ARG A 29 -4.940 -8.105 -1.826 1.00 0.00 C ATOM 354 NH1 ARG A 29 -4.268 -9.202 -1.610 1.00 0.00 N ATOM 355 NH2 ARG A 29 -6.107 -8.157 -2.407 1.00 0.00 N ATOM 0 H ARG A 29 -1.058 -4.399 -4.386 1.00 0.00 H new ATOM 0 HA ARG A 29 0.754 -4.840 -2.087 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.036 -5.469 -0.570 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.374 -3.844 -1.131 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.434 -4.654 -1.729 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.614 -5.383 -3.095 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.481 -7.510 -2.062 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.580 -6.846 -0.443 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.067 -6.197 -1.179 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.356 -9.160 -1.156 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.655 -10.102 -1.895 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -6.631 -7.299 -2.576 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -6.495 -9.056 -2.692 1.00 0.00 H new ATOM 369 N ARG A 30 0.240 -7.408 -2.363 1.00 0.00 N ATOM 370 CA ARG A 30 0.233 -8.812 -2.865 1.00 0.00 C ATOM 371 C ARG A 30 0.408 -9.775 -1.690 1.00 0.00 C ATOM 372 O ARG A 30 1.181 -9.532 -0.784 1.00 0.00 O ATOM 373 CB ARG A 30 1.383 -9.004 -3.856 1.00 0.00 C ATOM 374 CG ARG A 30 2.717 -8.922 -3.112 1.00 0.00 C ATOM 375 CD ARG A 30 3.868 -9.134 -4.097 1.00 0.00 C ATOM 376 NE ARG A 30 4.786 -10.182 -3.570 1.00 0.00 N ATOM 377 CZ ARG A 30 5.467 -10.929 -4.395 1.00 0.00 C ATOM 378 NH1 ARG A 30 5.563 -10.591 -5.652 1.00 0.00 N ATOM 379 NH2 ARG A 30 6.050 -12.014 -3.963 1.00 0.00 N ATOM 0 H ARG A 30 0.654 -7.279 -1.440 1.00 0.00 H new ATOM 0 HA ARG A 30 -0.715 -9.015 -3.363 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.291 -9.969 -4.354 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.340 -8.240 -4.632 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.815 -7.951 -2.626 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.754 -9.677 -2.326 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.478 -9.433 -5.070 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.411 -8.201 -4.245 1.00 0.00 H new ATOM 0 HE ARG A 30 4.882 -10.316 -2.563 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.106 -9.744 -5.989 1.00 0.00 H new ATOM 0 HH12 ARG A 30 6.095 -11.174 -6.298 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.973 -12.278 -2.981 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.582 -12.598 -4.608 1.00 0.00 H new ATOM 393 N VAL A 31 -0.303 -10.870 -1.696 1.00 0.00 N ATOM 394 CA VAL A 31 -0.175 -11.847 -0.579 1.00 0.00 C ATOM 395 C VAL A 31 0.578 -13.088 -1.073 1.00 0.00 C ATOM 396 O VAL A 31 0.372 -13.556 -2.175 1.00 0.00 O ATOM 397 CB VAL A 31 -1.574 -12.243 -0.085 1.00 0.00 C ATOM 398 CG1 VAL A 31 -1.512 -13.580 0.664 1.00 0.00 C ATOM 399 CG2 VAL A 31 -2.097 -11.163 0.862 1.00 0.00 C ATOM 0 H VAL A 31 -0.966 -11.129 -2.426 1.00 0.00 H new ATOM 0 HA VAL A 31 0.380 -11.396 0.244 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.239 -12.344 -0.943 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.510 -13.850 1.009 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.137 -14.355 -0.005 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.845 -13.487 1.521 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.090 -11.439 1.216 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.422 -11.067 1.713 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.152 -10.211 0.334 1.00 0.00 H new ATOM 409 N VAL A 32 1.446 -13.622 -0.259 1.00 0.00 N ATOM 410 CA VAL A 32 2.212 -14.831 -0.669 1.00 0.00 C ATOM 411 C VAL A 32 1.497 -16.079 -0.148 1.00 0.00 C ATOM 412 O VAL A 32 1.517 -17.124 -0.766 1.00 0.00 O ATOM 413 CB VAL A 32 3.617 -14.764 -0.071 1.00 0.00 C ATOM 414 CG1 VAL A 32 4.326 -16.104 -0.275 1.00 0.00 C ATOM 415 CG2 VAL A 32 4.414 -13.656 -0.765 1.00 0.00 C ATOM 0 H VAL A 32 1.658 -13.272 0.675 1.00 0.00 H new ATOM 0 HA VAL A 32 2.280 -14.874 -1.756 1.00 0.00 H new ATOM 0 HB VAL A 32 3.546 -14.550 0.995 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.328 -16.054 0.152 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.760 -16.894 0.218 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.396 -16.320 -1.341 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.416 -13.607 -0.339 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.483 -13.871 -1.831 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.911 -12.700 -0.619 1.00 0.00 H new ATOM 425 N LYS A 33 0.868 -15.972 0.988 1.00 0.00 N ATOM 426 CA LYS A 33 0.149 -17.143 1.564 1.00 0.00 C ATOM 427 C LYS A 33 -0.279 -16.807 2.992 1.00 0.00 C ATOM 428 O LYS A 33 -1.288 -17.278 3.478 1.00 0.00 O ATOM 429 CB LYS A 33 1.080 -18.357 1.583 1.00 0.00 C ATOM 430 CG LYS A 33 2.430 -17.954 2.180 1.00 0.00 C ATOM 431 CD LYS A 33 3.278 -19.205 2.418 1.00 0.00 C ATOM 432 CE LYS A 33 2.902 -19.829 3.763 1.00 0.00 C ATOM 433 NZ LYS A 33 3.444 -21.214 3.837 1.00 0.00 N ATOM 0 H LYS A 33 0.820 -15.119 1.546 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.728 -17.373 0.958 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.636 -19.161 2.170 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.217 -18.740 0.572 1.00 0.00 H new ATOM 0 HG2 LYS A 33 2.949 -17.273 1.505 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.280 -17.420 3.118 1.00 0.00 H new ATOM 0 HD2 LYS A 33 3.118 -19.924 1.614 1.00 0.00 H new ATOM 0 HD3 LYS A 33 4.337 -18.947 2.408 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.301 -19.227 4.579 1.00 0.00 H new ATOM 0 HE3 LYS A 33 1.818 -19.845 3.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.188 -21.638 4.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.043 -21.785 3.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.480 -21.187 3.745 1.00 0.00 H new ATOM 447 N GLY A 34 0.484 -15.992 3.667 1.00 0.00 N ATOM 448 CA GLY A 34 0.128 -15.617 5.065 1.00 0.00 C ATOM 449 C GLY A 34 0.888 -14.350 5.467 1.00 0.00 C ATOM 450 O GLY A 34 1.060 -14.066 6.636 1.00 0.00 O ATOM 0 H GLY A 34 1.341 -15.569 3.310 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.946 -15.450 5.145 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.375 -16.432 5.745 1.00 0.00 H new ATOM 454 N LYS A 35 1.341 -13.584 4.511 1.00 0.00 N ATOM 455 CA LYS A 35 2.085 -12.338 4.846 1.00 0.00 C ATOM 456 C LYS A 35 1.636 -11.212 3.912 1.00 0.00 C ATOM 457 O LYS A 35 2.288 -10.905 2.934 1.00 0.00 O ATOM 458 CB LYS A 35 3.587 -12.577 4.674 1.00 0.00 C ATOM 459 CG LYS A 35 4.193 -12.998 6.013 1.00 0.00 C ATOM 460 CD LYS A 35 5.703 -13.185 5.854 1.00 0.00 C ATOM 461 CE LYS A 35 6.435 -12.010 6.505 1.00 0.00 C ATOM 462 NZ LYS A 35 7.332 -12.519 7.581 1.00 0.00 N ATOM 0 H LYS A 35 1.228 -13.768 3.514 1.00 0.00 H new ATOM 0 HA LYS A 35 1.880 -12.058 5.879 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.760 -13.350 3.925 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.071 -11.670 4.313 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.987 -12.242 6.771 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.735 -13.926 6.356 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.015 -14.122 6.316 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.963 -13.248 4.797 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.016 -11.470 5.757 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.715 -11.304 6.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.830 -11.721 8.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.766 -13.016 8.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.026 -13.176 7.172 1.00 0.00 H new ATOM 476 N VAL A 36 0.524 -10.595 4.206 1.00 0.00 N ATOM 477 CA VAL A 36 0.030 -9.492 3.335 1.00 0.00 C ATOM 478 C VAL A 36 1.094 -8.396 3.241 1.00 0.00 C ATOM 479 O VAL A 36 1.449 -7.776 4.224 1.00 0.00 O ATOM 480 CB VAL A 36 -1.252 -8.908 3.932 1.00 0.00 C ATOM 481 CG1 VAL A 36 -1.705 -7.710 3.096 1.00 0.00 C ATOM 482 CG2 VAL A 36 -2.348 -9.975 3.926 1.00 0.00 C ATOM 0 H VAL A 36 -0.064 -10.808 5.012 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.176 -9.882 2.338 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.062 -8.586 4.956 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.618 -7.294 3.521 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.925 -6.949 3.098 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.895 -8.032 2.072 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -3.262 -9.560 4.351 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.537 -10.296 2.902 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.027 -10.830 4.521 1.00 0.00 H new ATOM 492 N GLU A 37 1.603 -8.151 2.065 1.00 0.00 N ATOM 493 CA GLU A 37 2.641 -7.095 1.908 1.00 0.00 C ATOM 494 C GLU A 37 2.039 -5.900 1.164 1.00 0.00 C ATOM 495 O GLU A 37 1.055 -6.026 0.462 1.00 0.00 O ATOM 496 CB GLU A 37 3.821 -7.651 1.108 1.00 0.00 C ATOM 497 CG GLU A 37 4.476 -8.791 1.891 1.00 0.00 C ATOM 498 CD GLU A 37 5.992 -8.741 1.692 1.00 0.00 C ATOM 499 OE1 GLU A 37 6.635 -7.960 2.374 1.00 0.00 O ATOM 500 OE2 GLU A 37 6.485 -9.486 0.859 1.00 0.00 O ATOM 0 H GLU A 37 1.345 -8.637 1.206 1.00 0.00 H new ATOM 0 HA GLU A 37 2.988 -6.777 2.891 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.479 -8.011 0.138 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.548 -6.862 0.917 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.234 -8.705 2.950 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.085 -9.751 1.552 1.00 0.00 H new ATOM 507 N TYR A 38 2.620 -4.741 1.311 1.00 0.00 N ATOM 508 CA TYR A 38 2.077 -3.543 0.612 1.00 0.00 C ATOM 509 C TYR A 38 3.229 -2.729 0.021 1.00 0.00 C ATOM 510 O TYR A 38 4.067 -2.213 0.733 1.00 0.00 O ATOM 511 CB TYR A 38 1.300 -2.680 1.607 1.00 0.00 C ATOM 512 CG TYR A 38 -0.165 -3.045 1.552 1.00 0.00 C ATOM 513 CD1 TYR A 38 -0.658 -4.084 2.352 1.00 0.00 C ATOM 514 CD2 TYR A 38 -1.030 -2.343 0.703 1.00 0.00 C ATOM 515 CE1 TYR A 38 -2.017 -4.423 2.301 1.00 0.00 C ATOM 516 CE2 TYR A 38 -2.389 -2.682 0.652 1.00 0.00 C ATOM 517 CZ TYR A 38 -2.882 -3.722 1.452 1.00 0.00 C ATOM 518 OH TYR A 38 -4.220 -4.055 1.402 1.00 0.00 O ATOM 0 H TYR A 38 3.446 -4.572 1.884 1.00 0.00 H new ATOM 0 HA TYR A 38 1.411 -3.862 -0.189 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.686 -2.831 2.615 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.432 -1.624 1.370 1.00 0.00 H new ATOM 0 HD1 TYR A 38 0.009 -4.624 3.008 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -0.650 -1.541 0.088 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -2.397 -5.225 2.917 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -3.056 -2.142 -0.004 1.00 0.00 H new ATOM 0 HH TYR A 38 -4.679 -3.470 0.763 1.00 0.00 H new ATOM 528 N LEU A 39 3.279 -2.611 -1.278 1.00 0.00 N ATOM 529 CA LEU A 39 4.376 -1.829 -1.915 1.00 0.00 C ATOM 530 C LEU A 39 4.009 -0.344 -1.917 1.00 0.00 C ATOM 531 O LEU A 39 3.042 0.063 -2.526 1.00 0.00 O ATOM 532 CB LEU A 39 4.573 -2.308 -3.355 1.00 0.00 C ATOM 533 CG LEU A 39 5.967 -1.907 -3.841 1.00 0.00 C ATOM 534 CD1 LEU A 39 7.023 -2.490 -2.902 1.00 0.00 C ATOM 535 CD2 LEU A 39 6.187 -2.449 -5.255 1.00 0.00 C ATOM 0 H LEU A 39 2.607 -3.023 -1.926 1.00 0.00 H new ATOM 0 HA LEU A 39 5.299 -1.974 -1.354 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.455 -3.390 -3.409 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.812 -1.872 -4.002 1.00 0.00 H new ATOM 0 HG LEU A 39 6.051 -0.820 -3.850 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.016 -2.204 -3.249 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.866 -2.105 -1.894 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.941 -3.577 -2.892 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.180 -2.164 -5.603 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.104 -3.536 -5.245 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.434 -2.033 -5.925 1.00 0.00 H new ATOM 547 N LEU A 40 4.773 0.467 -1.238 1.00 0.00 N ATOM 548 CA LEU A 40 4.464 1.924 -1.202 1.00 0.00 C ATOM 549 C LEU A 40 5.636 2.713 -1.788 1.00 0.00 C ATOM 550 O LEU A 40 6.732 2.205 -1.926 1.00 0.00 O ATOM 551 CB LEU A 40 4.230 2.365 0.246 1.00 0.00 C ATOM 552 CG LEU A 40 3.629 1.208 1.046 1.00 0.00 C ATOM 553 CD1 LEU A 40 3.590 1.578 2.529 1.00 0.00 C ATOM 554 CD2 LEU A 40 2.207 0.933 0.552 1.00 0.00 C ATOM 0 H LEU A 40 5.597 0.184 -0.707 1.00 0.00 H new ATOM 0 HA LEU A 40 3.566 2.114 -1.790 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.171 2.681 0.697 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.560 3.224 0.271 1.00 0.00 H new ATOM 0 HG LEU A 40 4.241 0.316 0.911 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.162 0.753 3.099 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.602 1.775 2.882 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.978 2.470 2.666 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.777 0.109 1.121 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.596 1.825 0.688 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.234 0.669 -0.505 1.00 0.00 H new ATOM 566 N LYS A 41 5.416 3.953 -2.131 1.00 0.00 N ATOM 567 CA LYS A 41 6.519 4.776 -2.704 1.00 0.00 C ATOM 568 C LYS A 41 7.197 5.563 -1.582 1.00 0.00 C ATOM 569 O LYS A 41 6.757 6.632 -1.207 1.00 0.00 O ATOM 570 CB LYS A 41 5.946 5.749 -3.738 1.00 0.00 C ATOM 571 CG LYS A 41 7.022 6.759 -4.140 1.00 0.00 C ATOM 572 CD LYS A 41 6.709 7.310 -5.532 1.00 0.00 C ATOM 573 CE LYS A 41 6.401 8.805 -5.433 1.00 0.00 C ATOM 574 NZ LYS A 41 5.066 9.079 -6.035 1.00 0.00 N ATOM 0 H LYS A 41 4.520 4.432 -2.039 1.00 0.00 H new ATOM 0 HA LYS A 41 7.249 4.125 -3.186 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.600 5.202 -4.615 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.081 6.268 -3.324 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.061 7.572 -3.416 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.002 6.282 -4.138 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.556 7.146 -6.198 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.858 6.781 -5.961 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.413 9.121 -4.390 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.169 9.380 -5.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 4.603 9.852 -5.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.184 9.354 -7.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.478 8.223 -5.979 1.00 0.00 H new ATOM 588 N TRP A 42 8.263 5.044 -1.041 1.00 0.00 N ATOM 589 CA TRP A 42 8.966 5.760 0.061 1.00 0.00 C ATOM 590 C TRP A 42 9.941 6.779 -0.531 1.00 0.00 C ATOM 591 O TRP A 42 10.738 6.463 -1.392 1.00 0.00 O ATOM 592 CB TRP A 42 9.736 4.751 0.914 1.00 0.00 C ATOM 593 CG TRP A 42 8.774 3.789 1.534 1.00 0.00 C ATOM 594 CD1 TRP A 42 8.400 2.606 0.992 1.00 0.00 C ATOM 595 CD2 TRP A 42 8.060 3.905 2.797 1.00 0.00 C ATOM 596 NE1 TRP A 42 7.502 1.989 1.843 1.00 0.00 N ATOM 597 CE2 TRP A 42 7.260 2.750 2.970 1.00 0.00 C ATOM 598 CE3 TRP A 42 8.029 4.890 3.802 1.00 0.00 C ATOM 599 CZ2 TRP A 42 6.456 2.580 4.100 1.00 0.00 C ATOM 600 CZ3 TRP A 42 7.222 4.723 4.941 1.00 0.00 C ATOM 601 CH2 TRP A 42 6.437 3.569 5.088 1.00 0.00 C ATOM 0 H TRP A 42 8.679 4.154 -1.314 1.00 0.00 H new ATOM 0 HA TRP A 42 8.235 6.278 0.682 1.00 0.00 H new ATOM 0 HB2 TRP A 42 10.458 4.214 0.299 1.00 0.00 H new ATOM 0 HB3 TRP A 42 10.300 5.269 1.690 1.00 0.00 H new ATOM 0 HD1 TRP A 42 8.746 2.209 0.049 1.00 0.00 H new ATOM 0 HE1 TRP A 42 7.071 1.083 1.661 1.00 0.00 H new ATOM 0 HE3 TRP A 42 8.630 5.781 3.697 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 5.853 1.691 4.209 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 7.206 5.486 5.706 1.00 0.00 H new ATOM 0 HH2 TRP A 42 5.818 3.445 5.964 1.00 0.00 H new ATOM 612 N LYS A 43 9.884 8.001 -0.076 1.00 0.00 N ATOM 613 CA LYS A 43 10.807 9.040 -0.611 1.00 0.00 C ATOM 614 C LYS A 43 12.043 9.137 0.288 1.00 0.00 C ATOM 615 O LYS A 43 12.780 10.100 0.244 1.00 0.00 O ATOM 616 CB LYS A 43 10.091 10.393 -0.638 1.00 0.00 C ATOM 617 CG LYS A 43 9.798 10.844 0.794 1.00 0.00 C ATOM 618 CD LYS A 43 8.669 11.876 0.785 1.00 0.00 C ATOM 619 CE LYS A 43 9.093 13.103 1.593 1.00 0.00 C ATOM 620 NZ LYS A 43 8.018 14.134 1.530 1.00 0.00 N ATOM 0 H LYS A 43 9.237 8.324 0.644 1.00 0.00 H new ATOM 0 HA LYS A 43 11.112 8.769 -1.622 1.00 0.00 H new ATOM 0 HB2 LYS A 43 10.710 11.134 -1.144 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.162 10.314 -1.203 1.00 0.00 H new ATOM 0 HG2 LYS A 43 9.516 9.987 1.406 1.00 0.00 H new ATOM 0 HG3 LYS A 43 10.694 11.274 1.241 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.435 12.165 -0.239 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.763 11.443 1.209 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.282 12.822 2.629 1.00 0.00 H new ATOM 0 HE3 LYS A 43 10.024 13.508 1.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 8.305 14.969 2.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 7.858 14.409 0.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 7.139 13.744 1.927 1.00 0.00 H new ATOM 634 N GLY A 44 12.274 8.144 1.102 1.00 0.00 N ATOM 635 CA GLY A 44 13.461 8.178 2.003 1.00 0.00 C ATOM 636 C GLY A 44 14.694 7.689 1.243 1.00 0.00 C ATOM 637 O GLY A 44 15.781 8.211 1.400 1.00 0.00 O ATOM 0 H GLY A 44 11.692 7.310 1.182 1.00 0.00 H new ATOM 0 HA2 GLY A 44 13.624 9.192 2.368 1.00 0.00 H new ATOM 0 HA3 GLY A 44 13.286 7.549 2.876 1.00 0.00 H new ATOM 641 N PHE A 45 14.536 6.690 0.419 1.00 0.00 N ATOM 642 CA PHE A 45 15.700 6.167 -0.351 1.00 0.00 C ATOM 643 C PHE A 45 15.757 6.857 -1.715 1.00 0.00 C ATOM 644 O PHE A 45 16.739 7.479 -2.067 1.00 0.00 O ATOM 645 CB PHE A 45 15.544 4.657 -0.548 1.00 0.00 C ATOM 646 CG PHE A 45 15.977 3.938 0.707 1.00 0.00 C ATOM 647 CD1 PHE A 45 15.094 3.824 1.789 1.00 0.00 C ATOM 648 CD2 PHE A 45 17.261 3.386 0.790 1.00 0.00 C ATOM 649 CE1 PHE A 45 15.495 3.157 2.954 1.00 0.00 C ATOM 650 CE2 PHE A 45 17.664 2.718 1.955 1.00 0.00 C ATOM 651 CZ PHE A 45 16.780 2.604 3.037 1.00 0.00 C ATOM 0 H PHE A 45 13.651 6.213 0.245 1.00 0.00 H new ATOM 0 HA PHE A 45 16.620 6.368 0.197 1.00 0.00 H new ATOM 0 HB2 PHE A 45 14.507 4.415 -0.779 1.00 0.00 H new ATOM 0 HB3 PHE A 45 16.145 4.326 -1.395 1.00 0.00 H new ATOM 0 HD1 PHE A 45 14.104 4.250 1.725 1.00 0.00 H new ATOM 0 HD2 PHE A 45 17.941 3.475 -0.044 1.00 0.00 H new ATOM 0 HE1 PHE A 45 14.814 3.069 3.788 1.00 0.00 H new ATOM 0 HE2 PHE A 45 18.654 2.292 2.019 1.00 0.00 H new ATOM 0 HZ PHE A 45 17.089 2.090 3.935 1.00 0.00 H new ATOM 661 N SER A 46 14.709 6.752 -2.486 1.00 0.00 N ATOM 662 CA SER A 46 14.702 7.402 -3.826 1.00 0.00 C ATOM 663 C SER A 46 13.286 7.878 -4.152 1.00 0.00 C ATOM 664 O SER A 46 12.415 7.890 -3.304 1.00 0.00 O ATOM 665 CB SER A 46 15.157 6.395 -4.882 1.00 0.00 C ATOM 666 OG SER A 46 14.352 5.227 -4.794 1.00 0.00 O ATOM 0 H SER A 46 13.858 6.244 -2.245 1.00 0.00 H new ATOM 0 HA SER A 46 15.381 8.255 -3.821 1.00 0.00 H new ATOM 0 HB2 SER A 46 15.076 6.832 -5.877 1.00 0.00 H new ATOM 0 HB3 SER A 46 16.206 6.140 -4.730 1.00 0.00 H new ATOM 0 HG SER A 46 14.640 4.580 -5.471 1.00 0.00 H new ATOM 672 N ASP A 47 13.046 8.269 -5.373 1.00 0.00 N ATOM 673 CA ASP A 47 11.685 8.742 -5.748 1.00 0.00 C ATOM 674 C ASP A 47 10.809 7.540 -6.106 1.00 0.00 C ATOM 675 O ASP A 47 9.719 7.684 -6.621 1.00 0.00 O ATOM 676 CB ASP A 47 11.784 9.679 -6.954 1.00 0.00 C ATOM 677 CG ASP A 47 12.136 11.089 -6.477 1.00 0.00 C ATOM 678 OD1 ASP A 47 11.220 11.837 -6.175 1.00 0.00 O ATOM 679 OD2 ASP A 47 13.314 11.398 -6.422 1.00 0.00 O ATOM 0 H ASP A 47 13.733 8.281 -6.127 1.00 0.00 H new ATOM 0 HA ASP A 47 11.242 9.278 -4.908 1.00 0.00 H new ATOM 0 HB2 ASP A 47 12.544 9.318 -7.647 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.838 9.692 -7.496 1.00 0.00 H new ATOM 684 N GLU A 48 11.279 6.353 -5.834 1.00 0.00 N ATOM 685 CA GLU A 48 10.475 5.142 -6.157 1.00 0.00 C ATOM 686 C GLU A 48 11.237 3.895 -5.707 1.00 0.00 C ATOM 687 O GLU A 48 11.742 3.140 -6.513 1.00 0.00 O ATOM 688 CB GLU A 48 10.231 5.075 -7.665 1.00 0.00 C ATOM 689 CG GLU A 48 11.569 5.141 -8.403 1.00 0.00 C ATOM 690 CD GLU A 48 11.523 6.257 -9.447 1.00 0.00 C ATOM 691 OE1 GLU A 48 11.589 7.410 -9.055 1.00 0.00 O ATOM 692 OE2 GLU A 48 11.423 5.940 -10.621 1.00 0.00 O ATOM 0 H GLU A 48 12.185 6.170 -5.402 1.00 0.00 H new ATOM 0 HA GLU A 48 9.517 5.192 -5.639 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.709 4.152 -7.919 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.591 5.900 -7.977 1.00 0.00 H new ATOM 0 HG2 GLU A 48 12.378 5.324 -7.695 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.778 4.186 -8.885 1.00 0.00 H new ATOM 699 N ASP A 49 11.326 3.677 -4.424 1.00 0.00 N ATOM 700 CA ASP A 49 12.057 2.483 -3.920 1.00 0.00 C ATOM 701 C ASP A 49 11.072 1.326 -3.738 1.00 0.00 C ATOM 702 O ASP A 49 11.458 0.177 -3.647 1.00 0.00 O ATOM 703 CB ASP A 49 12.713 2.818 -2.579 1.00 0.00 C ATOM 704 CG ASP A 49 11.643 2.894 -1.488 1.00 0.00 C ATOM 705 OD1 ASP A 49 10.550 3.345 -1.788 1.00 0.00 O ATOM 706 OD2 ASP A 49 11.935 2.499 -0.371 1.00 0.00 O ATOM 0 H ASP A 49 10.923 4.275 -3.703 1.00 0.00 H new ATOM 0 HA ASP A 49 12.827 2.194 -4.636 1.00 0.00 H new ATOM 0 HB2 ASP A 49 13.452 2.059 -2.325 1.00 0.00 H new ATOM 0 HB3 ASP A 49 13.243 3.768 -2.649 1.00 0.00 H new ATOM 711 N ASN A 50 9.802 1.621 -3.686 1.00 0.00 N ATOM 712 CA ASN A 50 8.792 0.541 -3.512 1.00 0.00 C ATOM 713 C ASN A 50 9.246 -0.412 -2.406 1.00 0.00 C ATOM 714 O ASN A 50 9.981 -1.350 -2.643 1.00 0.00 O ATOM 715 CB ASN A 50 8.646 -0.234 -4.825 1.00 0.00 C ATOM 716 CG ASN A 50 8.048 0.681 -5.895 1.00 0.00 C ATOM 717 OD1 ASN A 50 7.136 1.438 -5.623 1.00 0.00 O ATOM 718 ND2 ASN A 50 8.525 0.646 -7.108 1.00 0.00 N ATOM 0 H ASN A 50 9.421 2.564 -3.757 1.00 0.00 H new ATOM 0 HA ASN A 50 7.833 0.981 -3.239 1.00 0.00 H new ATOM 0 HB2 ASN A 50 9.618 -0.605 -5.151 1.00 0.00 H new ATOM 0 HB3 ASN A 50 8.006 -1.104 -4.677 1.00 0.00 H new ATOM 0 HD21 ASN A 50 8.133 1.253 -7.828 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.290 0.011 -7.337 1.00 0.00 H new ATOM 725 N THR A 51 8.811 -0.182 -1.196 1.00 0.00 N ATOM 726 CA THR A 51 9.216 -1.075 -0.075 1.00 0.00 C ATOM 727 C THR A 51 8.005 -1.888 0.389 1.00 0.00 C ATOM 728 O THR A 51 6.965 -1.346 0.700 1.00 0.00 O ATOM 729 CB THR A 51 9.739 -0.230 1.088 1.00 0.00 C ATOM 730 OG1 THR A 51 10.749 0.651 0.614 1.00 0.00 O ATOM 731 CG2 THR A 51 10.322 -1.146 2.166 1.00 0.00 C ATOM 0 H THR A 51 8.192 0.586 -0.937 1.00 0.00 H new ATOM 0 HA THR A 51 10.001 -1.751 -0.413 1.00 0.00 H new ATOM 0 HB THR A 51 8.920 0.350 1.513 1.00 0.00 H new ATOM 0 HG1 THR A 51 10.395 1.564 0.576 1.00 0.00 H new ATOM 0 HG21 THR A 51 10.694 -0.543 2.994 1.00 0.00 H new ATOM 0 HG22 THR A 51 9.546 -1.821 2.529 1.00 0.00 H new ATOM 0 HG23 THR A 51 11.141 -1.728 1.744 1.00 0.00 H new ATOM 739 N TRP A 52 8.133 -3.185 0.438 1.00 0.00 N ATOM 740 CA TRP A 52 6.990 -4.029 0.881 1.00 0.00 C ATOM 741 C TRP A 52 6.929 -4.044 2.410 1.00 0.00 C ATOM 742 O TRP A 52 7.920 -4.264 3.079 1.00 0.00 O ATOM 743 CB TRP A 52 7.178 -5.457 0.364 1.00 0.00 C ATOM 744 CG TRP A 52 7.001 -5.475 -1.121 1.00 0.00 C ATOM 745 CD1 TRP A 52 8.006 -5.421 -2.025 1.00 0.00 C ATOM 746 CD2 TRP A 52 5.766 -5.551 -1.890 1.00 0.00 C ATOM 747 NE1 TRP A 52 7.465 -5.459 -3.295 1.00 0.00 N ATOM 748 CE2 TRP A 52 6.095 -5.539 -3.264 1.00 0.00 C ATOM 749 CE3 TRP A 52 4.404 -5.627 -1.535 1.00 0.00 C ATOM 750 CZ2 TRP A 52 5.121 -5.600 -4.252 1.00 0.00 C ATOM 751 CZ3 TRP A 52 3.413 -5.690 -2.531 1.00 0.00 C ATOM 752 CH2 TRP A 52 3.773 -5.677 -3.888 1.00 0.00 C ATOM 0 H TRP A 52 8.980 -3.696 0.190 1.00 0.00 H new ATOM 0 HA TRP A 52 6.061 -3.619 0.484 1.00 0.00 H new ATOM 0 HB2 TRP A 52 8.170 -5.823 0.627 1.00 0.00 H new ATOM 0 HB3 TRP A 52 6.456 -6.124 0.835 1.00 0.00 H new ATOM 0 HD1 TRP A 52 9.059 -5.358 -1.792 1.00 0.00 H new ATOM 0 HE1 TRP A 52 8.017 -5.431 -4.152 1.00 0.00 H new ATOM 0 HE3 TRP A 52 4.120 -5.637 -0.493 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 5.403 -5.588 -5.295 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 2.372 -5.749 -2.251 1.00 0.00 H new ATOM 0 HH2 TRP A 52 3.009 -5.726 -4.650 1.00 0.00 H new ATOM 763 N GLU A 53 5.773 -3.811 2.969 1.00 0.00 N ATOM 764 CA GLU A 53 5.650 -3.810 4.453 1.00 0.00 C ATOM 765 C GLU A 53 4.441 -4.656 4.866 1.00 0.00 C ATOM 766 O GLU A 53 3.506 -4.810 4.104 1.00 0.00 O ATOM 767 CB GLU A 53 5.461 -2.375 4.949 1.00 0.00 C ATOM 768 CG GLU A 53 6.784 -1.850 5.511 1.00 0.00 C ATOM 769 CD GLU A 53 7.129 -0.516 4.847 1.00 0.00 C ATOM 770 OE1 GLU A 53 6.752 -0.333 3.701 1.00 0.00 O ATOM 771 OE2 GLU A 53 7.764 0.299 5.495 1.00 0.00 O ATOM 0 H GLU A 53 4.909 -3.621 2.462 1.00 0.00 H new ATOM 0 HA GLU A 53 6.555 -4.230 4.892 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.123 -1.738 4.132 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.689 -2.344 5.718 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.707 -1.721 6.591 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.579 -2.573 5.332 1.00 0.00 H new ATOM 778 N PRO A 54 4.500 -5.181 6.063 1.00 0.00 N ATOM 779 CA PRO A 54 3.425 -6.021 6.615 1.00 0.00 C ATOM 780 C PRO A 54 2.262 -5.151 7.101 1.00 0.00 C ATOM 781 O PRO A 54 2.441 -4.246 7.891 1.00 0.00 O ATOM 782 CB PRO A 54 4.097 -6.739 7.788 1.00 0.00 C ATOM 783 CG PRO A 54 5.313 -5.869 8.193 1.00 0.00 C ATOM 784 CD PRO A 54 5.645 -4.984 6.976 1.00 0.00 C ATOM 0 HA PRO A 54 3.002 -6.711 5.885 1.00 0.00 H new ATOM 0 HB2 PRO A 54 3.405 -6.852 8.622 1.00 0.00 H new ATOM 0 HB3 PRO A 54 4.415 -7.741 7.500 1.00 0.00 H new ATOM 0 HG2 PRO A 54 5.079 -5.258 9.065 1.00 0.00 H new ATOM 0 HG3 PRO A 54 6.165 -6.494 8.461 1.00 0.00 H new ATOM 0 HD2 PRO A 54 5.751 -3.937 7.262 1.00 0.00 H new ATOM 0 HD3 PRO A 54 6.583 -5.284 6.509 1.00 0.00 H new ATOM 792 N GLU A 55 1.073 -5.420 6.637 1.00 0.00 N ATOM 793 CA GLU A 55 -0.099 -4.610 7.074 1.00 0.00 C ATOM 794 C GLU A 55 -0.423 -4.929 8.535 1.00 0.00 C ATOM 795 O GLU A 55 -1.262 -4.297 9.147 1.00 0.00 O ATOM 796 CB GLU A 55 -1.306 -4.946 6.198 1.00 0.00 C ATOM 797 CG GLU A 55 -1.708 -6.406 6.421 1.00 0.00 C ATOM 798 CD GLU A 55 -3.086 -6.461 7.082 1.00 0.00 C ATOM 799 OE1 GLU A 55 -3.302 -5.710 8.019 1.00 0.00 O ATOM 800 OE2 GLU A 55 -3.902 -7.251 6.638 1.00 0.00 O ATOM 0 H GLU A 55 0.862 -6.166 5.974 1.00 0.00 H new ATOM 0 HA GLU A 55 0.135 -3.550 6.977 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.140 -4.287 6.441 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.064 -4.781 5.148 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.728 -6.938 5.470 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.971 -6.905 7.050 1.00 0.00 H new ATOM 807 N GLU A 56 0.233 -5.905 9.101 1.00 0.00 N ATOM 808 CA GLU A 56 -0.039 -6.263 10.522 1.00 0.00 C ATOM 809 C GLU A 56 0.593 -5.217 11.443 1.00 0.00 C ATOM 810 O GLU A 56 0.444 -5.267 12.647 1.00 0.00 O ATOM 811 CB GLU A 56 0.563 -7.636 10.824 1.00 0.00 C ATOM 812 CG GLU A 56 -0.541 -8.696 10.794 1.00 0.00 C ATOM 813 CD GLU A 56 0.041 -10.049 11.207 1.00 0.00 C ATOM 814 OE1 GLU A 56 0.836 -10.585 10.454 1.00 0.00 O ATOM 815 OE2 GLU A 56 -0.320 -10.526 12.271 1.00 0.00 O ATOM 0 H GLU A 56 0.946 -6.470 8.640 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.116 -6.291 10.690 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.333 -7.877 10.091 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.046 -7.626 11.801 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.349 -8.414 11.469 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.969 -8.762 9.794 1.00 0.00 H new ATOM 822 N ASN A 57 1.299 -4.269 10.887 1.00 0.00 N ATOM 823 CA ASN A 57 1.940 -3.224 11.732 1.00 0.00 C ATOM 824 C ASN A 57 1.726 -1.849 11.097 1.00 0.00 C ATOM 825 O ASN A 57 1.518 -0.865 11.777 1.00 0.00 O ATOM 826 CB ASN A 57 3.439 -3.508 11.842 1.00 0.00 C ATOM 827 CG ASN A 57 3.681 -4.568 12.918 1.00 0.00 C ATOM 828 OD1 ASN A 57 2.896 -5.482 13.074 1.00 0.00 O ATOM 829 ND2 ASN A 57 4.743 -4.485 13.672 1.00 0.00 N ATOM 0 H ASN A 57 1.459 -4.174 9.884 1.00 0.00 H new ATOM 0 HA ASN A 57 1.493 -3.236 12.726 1.00 0.00 H new ATOM 0 HB2 ASN A 57 3.826 -3.853 10.883 1.00 0.00 H new ATOM 0 HB3 ASN A 57 3.976 -2.593 12.091 1.00 0.00 H new ATOM 0 HD21 ASN A 57 4.914 -5.187 14.392 1.00 0.00 H new ATOM 0 HD22 ASN A 57 5.402 -3.718 13.541 1.00 0.00 H new ATOM 836 N LEU A 58 1.777 -1.773 9.794 1.00 0.00 N ATOM 837 CA LEU A 58 1.578 -0.462 9.114 1.00 0.00 C ATOM 838 C LEU A 58 0.404 0.276 9.760 1.00 0.00 C ATOM 839 O LEU A 58 -0.683 -0.253 9.884 1.00 0.00 O ATOM 840 CB LEU A 58 1.278 -0.699 7.632 1.00 0.00 C ATOM 841 CG LEU A 58 2.513 -0.350 6.799 1.00 0.00 C ATOM 842 CD1 LEU A 58 2.428 -1.051 5.442 1.00 0.00 C ATOM 843 CD2 LEU A 58 2.573 1.164 6.589 1.00 0.00 C ATOM 0 H LEU A 58 1.948 -2.563 9.172 1.00 0.00 H new ATOM 0 HA LEU A 58 2.482 0.139 9.212 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.998 -1.740 7.469 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.431 -0.088 7.319 1.00 0.00 H new ATOM 0 HG LEU A 58 3.410 -0.681 7.322 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.308 -0.802 4.848 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.384 -2.130 5.592 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.531 -0.721 4.917 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.452 1.414 5.996 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.676 1.495 6.066 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.634 1.663 7.556 1.00 0.00 H new ATOM 855 N ASP A 59 0.614 1.496 10.173 1.00 0.00 N ATOM 856 CA ASP A 59 -0.490 2.268 10.811 1.00 0.00 C ATOM 857 C ASP A 59 -1.056 3.277 9.808 1.00 0.00 C ATOM 858 O ASP A 59 -1.318 4.415 10.139 1.00 0.00 O ATOM 859 CB ASP A 59 0.049 3.013 12.034 1.00 0.00 C ATOM 860 CG ASP A 59 -0.986 2.965 13.159 1.00 0.00 C ATOM 861 OD1 ASP A 59 -2.107 3.383 12.924 1.00 0.00 O ATOM 862 OD2 ASP A 59 -0.640 2.509 14.237 1.00 0.00 O ATOM 0 H ASP A 59 1.502 1.992 10.096 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.279 1.583 11.121 1.00 0.00 H new ATOM 0 HB2 ASP A 59 0.983 2.560 12.366 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.271 4.048 11.774 1.00 0.00 H new ATOM 867 N CYS A 60 -1.245 2.868 8.582 1.00 0.00 N ATOM 868 CA CYS A 60 -1.792 3.805 7.560 1.00 0.00 C ATOM 869 C CYS A 60 -3.078 3.218 6.967 1.00 0.00 C ATOM 870 O CYS A 60 -3.070 2.697 5.869 1.00 0.00 O ATOM 871 CB CYS A 60 -0.762 4.006 6.448 1.00 0.00 C ATOM 872 SG CYS A 60 0.880 4.225 7.179 1.00 0.00 S ATOM 0 H CYS A 60 -1.044 1.926 8.245 1.00 0.00 H new ATOM 0 HA CYS A 60 -2.012 4.765 8.027 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -0.762 3.146 5.778 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -1.024 4.878 5.848 1.00 0.00 H new ATOM 0 HG CYS A 60 1.757 4.394 6.234 1.00 0.00 H new ATOM 878 N PRO A 61 -4.145 3.321 7.718 1.00 0.00 N ATOM 879 CA PRO A 61 -5.461 2.809 7.301 1.00 0.00 C ATOM 880 C PRO A 61 -6.117 3.768 6.303 1.00 0.00 C ATOM 881 O PRO A 61 -7.242 3.570 5.887 1.00 0.00 O ATOM 882 CB PRO A 61 -6.255 2.754 8.609 1.00 0.00 C ATOM 883 CG PRO A 61 -5.569 3.749 9.577 1.00 0.00 C ATOM 884 CD PRO A 61 -4.137 3.958 9.050 1.00 0.00 C ATOM 0 HA PRO A 61 -5.406 1.842 6.800 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -7.297 3.029 8.443 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -6.253 1.746 9.023 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -6.111 4.694 9.610 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -5.554 3.354 10.593 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -3.888 5.017 8.984 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -3.399 3.497 9.707 1.00 0.00 H new ATOM 892 N ASP A 62 -5.422 4.800 5.912 1.00 0.00 N ATOM 893 CA ASP A 62 -6.008 5.764 4.940 1.00 0.00 C ATOM 894 C ASP A 62 -5.704 5.285 3.522 1.00 0.00 C ATOM 895 O ASP A 62 -6.579 5.203 2.681 1.00 0.00 O ATOM 896 CB ASP A 62 -5.391 7.148 5.156 1.00 0.00 C ATOM 897 CG ASP A 62 -6.377 8.223 4.696 1.00 0.00 C ATOM 898 OD1 ASP A 62 -7.570 7.997 4.819 1.00 0.00 O ATOM 899 OD2 ASP A 62 -5.923 9.253 4.225 1.00 0.00 O ATOM 0 H ASP A 62 -4.475 5.017 6.223 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.086 5.826 5.086 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.148 7.289 6.209 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -4.458 7.233 4.599 1.00 0.00 H new ATOM 904 N LEU A 63 -4.470 4.959 3.250 1.00 0.00 N ATOM 905 CA LEU A 63 -4.118 4.478 1.892 1.00 0.00 C ATOM 906 C LEU A 63 -4.499 3.005 1.773 1.00 0.00 C ATOM 907 O LEU A 63 -4.716 2.493 0.694 1.00 0.00 O ATOM 908 CB LEU A 63 -2.617 4.640 1.661 1.00 0.00 C ATOM 909 CG LEU A 63 -2.174 6.025 2.133 1.00 0.00 C ATOM 910 CD1 LEU A 63 -1.184 5.879 3.289 1.00 0.00 C ATOM 911 CD2 LEU A 63 -1.498 6.765 0.975 1.00 0.00 C ATOM 0 H LEU A 63 -3.694 5.006 3.911 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.658 5.060 1.145 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.070 3.868 2.202 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.385 4.513 0.603 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.044 6.589 2.469 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.869 6.867 3.625 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.663 5.351 4.114 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.314 5.315 2.954 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.181 7.753 1.310 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.628 6.200 0.640 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.202 6.870 0.150 1.00 0.00 H new ATOM 923 N ILE A 64 -4.594 2.321 2.880 1.00 0.00 N ATOM 924 CA ILE A 64 -4.973 0.885 2.835 1.00 0.00 C ATOM 925 C ILE A 64 -6.453 0.781 2.470 1.00 0.00 C ATOM 926 O ILE A 64 -6.837 0.028 1.597 1.00 0.00 O ATOM 927 CB ILE A 64 -4.736 0.248 4.206 1.00 0.00 C ATOM 928 CG1 ILE A 64 -3.231 0.148 4.466 1.00 0.00 C ATOM 929 CG2 ILE A 64 -5.351 -1.151 4.235 1.00 0.00 C ATOM 930 CD1 ILE A 64 -2.989 -0.241 5.925 1.00 0.00 C ATOM 0 H ILE A 64 -4.425 2.697 3.813 1.00 0.00 H new ATOM 0 HA ILE A 64 -4.369 0.364 2.092 1.00 0.00 H new ATOM 0 HB ILE A 64 -5.200 0.863 4.977 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.785 -0.593 3.802 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.750 1.101 4.248 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -5.181 -1.603 5.212 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -6.423 -1.081 4.049 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.888 -1.768 3.465 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.917 -0.312 6.110 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -3.421 0.516 6.580 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.457 -1.205 6.127 1.00 0.00 H new ATOM 942 N ALA A 65 -7.286 1.546 3.124 1.00 0.00 N ATOM 943 CA ALA A 65 -8.740 1.508 2.810 1.00 0.00 C ATOM 944 C ALA A 65 -9.012 2.379 1.582 1.00 0.00 C ATOM 945 O ALA A 65 -10.116 2.430 1.076 1.00 0.00 O ATOM 946 CB ALA A 65 -9.534 2.044 4.001 1.00 0.00 C ATOM 0 H ALA A 65 -7.020 2.196 3.863 1.00 0.00 H new ATOM 0 HA ALA A 65 -9.044 0.481 2.606 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.599 2.016 3.771 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -9.336 1.427 4.878 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.234 3.072 4.205 1.00 0.00 H new ATOM 952 N GLU A 66 -8.011 3.063 1.095 1.00 0.00 N ATOM 953 CA GLU A 66 -8.211 3.926 -0.101 1.00 0.00 C ATOM 954 C GLU A 66 -7.801 3.148 -1.350 1.00 0.00 C ATOM 955 O GLU A 66 -8.309 3.371 -2.431 1.00 0.00 O ATOM 956 CB GLU A 66 -7.348 5.183 0.024 1.00 0.00 C ATOM 957 CG GLU A 66 -7.373 5.955 -1.298 1.00 0.00 C ATOM 958 CD GLU A 66 -7.187 7.448 -1.021 1.00 0.00 C ATOM 959 OE1 GLU A 66 -7.817 7.944 -0.103 1.00 0.00 O ATOM 960 OE2 GLU A 66 -6.416 8.070 -1.735 1.00 0.00 O ATOM 0 H GLU A 66 -7.064 3.060 1.475 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.259 4.216 -0.174 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.720 5.813 0.832 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -6.324 4.910 0.278 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.582 5.595 -1.956 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.319 5.785 -1.813 1.00 0.00 H new ATOM 967 N PHE A 67 -6.885 2.231 -1.206 1.00 0.00 N ATOM 968 CA PHE A 67 -6.438 1.429 -2.376 1.00 0.00 C ATOM 969 C PHE A 67 -7.123 0.059 -2.334 1.00 0.00 C ATOM 970 O PHE A 67 -7.217 -0.629 -3.330 1.00 0.00 O ATOM 971 CB PHE A 67 -4.916 1.250 -2.317 1.00 0.00 C ATOM 972 CG PHE A 67 -4.495 0.127 -3.234 1.00 0.00 C ATOM 973 CD1 PHE A 67 -4.865 0.148 -4.586 1.00 0.00 C ATOM 974 CD2 PHE A 67 -3.736 -0.938 -2.732 1.00 0.00 C ATOM 975 CE1 PHE A 67 -4.475 -0.895 -5.435 1.00 0.00 C ATOM 976 CE2 PHE A 67 -3.346 -1.982 -3.581 1.00 0.00 C ATOM 977 CZ PHE A 67 -3.716 -1.961 -4.933 1.00 0.00 C ATOM 0 H PHE A 67 -6.426 2.003 -0.324 1.00 0.00 H new ATOM 0 HA PHE A 67 -6.704 1.941 -3.301 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -4.421 2.176 -2.610 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.606 1.032 -1.295 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -5.451 0.969 -4.973 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -3.451 -0.954 -1.690 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -4.759 -0.878 -6.477 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -2.760 -2.803 -3.194 1.00 0.00 H new ATOM 0 HZ PHE A 67 -3.416 -2.766 -5.588 1.00 0.00 H new ATOM 987 N LEU A 68 -7.599 -0.339 -1.186 1.00 0.00 N ATOM 988 CA LEU A 68 -8.274 -1.662 -1.081 1.00 0.00 C ATOM 989 C LEU A 68 -9.778 -1.488 -1.313 1.00 0.00 C ATOM 990 O LEU A 68 -10.489 -2.435 -1.586 1.00 0.00 O ATOM 991 CB LEU A 68 -8.011 -2.260 0.311 1.00 0.00 C ATOM 992 CG LEU A 68 -9.007 -1.705 1.336 1.00 0.00 C ATOM 993 CD1 LEU A 68 -10.328 -2.470 1.238 1.00 0.00 C ATOM 994 CD2 LEU A 68 -8.431 -1.874 2.744 1.00 0.00 C ATOM 0 H LEU A 68 -7.549 0.194 -0.318 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.878 -2.340 -1.837 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.094 -3.346 0.267 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.993 -2.030 0.625 1.00 0.00 H new ATOM 0 HG LEU A 68 -9.183 -0.649 1.133 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -11.033 -2.073 1.968 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -10.741 -2.357 0.236 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -10.153 -3.527 1.441 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -9.137 -1.480 3.475 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.256 -2.932 2.941 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.489 -1.330 2.819 1.00 0.00 H new ATOM 1006 N GLN A 69 -10.268 -0.282 -1.208 1.00 0.00 N ATOM 1007 CA GLN A 69 -11.723 -0.047 -1.422 1.00 0.00 C ATOM 1008 C GLN A 69 -12.018 -0.012 -2.923 1.00 0.00 C ATOM 1009 O GLN A 69 -13.026 -0.516 -3.379 1.00 0.00 O ATOM 1010 CB GLN A 69 -12.121 1.290 -0.792 1.00 0.00 C ATOM 1011 CG GLN A 69 -13.610 1.546 -1.031 1.00 0.00 C ATOM 1012 CD GLN A 69 -13.903 3.038 -0.871 1.00 0.00 C ATOM 1013 OE1 GLN A 69 -14.807 3.562 -1.492 1.00 0.00 O ATOM 1014 NE2 GLN A 69 -13.170 3.751 -0.059 1.00 0.00 N ATOM 0 H GLN A 69 -9.723 0.550 -0.983 1.00 0.00 H new ATOM 0 HA GLN A 69 -12.294 -0.851 -0.958 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -11.911 1.277 0.277 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -11.529 2.097 -1.223 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -13.891 1.215 -2.031 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -14.207 0.969 -0.324 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -12.411 3.311 0.462 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -13.356 4.747 0.054 1.00 0.00 H new ATOM 1023 N SER A 70 -11.146 0.577 -3.695 1.00 0.00 N ATOM 1024 CA SER A 70 -11.377 0.643 -5.166 1.00 0.00 C ATOM 1025 C SER A 70 -11.406 -0.775 -5.742 1.00 0.00 C ATOM 1026 O SER A 70 -12.158 -1.072 -6.648 1.00 0.00 O ATOM 1027 CB SER A 70 -10.249 1.438 -5.824 1.00 0.00 C ATOM 1028 OG SER A 70 -9.068 1.309 -5.043 1.00 0.00 O ATOM 0 H SER A 70 -10.284 1.015 -3.371 1.00 0.00 H new ATOM 0 HA SER A 70 -12.330 1.134 -5.363 1.00 0.00 H new ATOM 0 HB2 SER A 70 -10.072 1.072 -6.835 1.00 0.00 H new ATOM 0 HB3 SER A 70 -10.530 2.488 -5.909 1.00 0.00 H new ATOM 0 HG SER A 70 -8.342 1.816 -5.462 1.00 0.00 H new ATOM 1034 N GLN A 71 -10.591 -1.652 -5.224 1.00 0.00 N ATOM 1035 CA GLN A 71 -10.572 -3.049 -5.741 1.00 0.00 C ATOM 1036 C GLN A 71 -11.965 -3.665 -5.596 1.00 0.00 C ATOM 1037 O GLN A 71 -12.354 -4.531 -6.353 1.00 0.00 O ATOM 1038 CB GLN A 71 -9.561 -3.876 -4.944 1.00 0.00 C ATOM 1039 CG GLN A 71 -8.161 -3.670 -5.526 1.00 0.00 C ATOM 1040 CD GLN A 71 -7.822 -4.831 -6.464 1.00 0.00 C ATOM 1041 OE1 GLN A 71 -6.749 -5.396 -6.387 1.00 0.00 O ATOM 1042 NE2 GLN A 71 -8.698 -5.213 -7.353 1.00 0.00 N ATOM 0 H GLN A 71 -9.937 -1.461 -4.465 1.00 0.00 H new ATOM 0 HA GLN A 71 -10.285 -3.043 -6.793 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.578 -3.579 -3.896 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -9.830 -4.932 -4.980 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -8.116 -2.726 -6.068 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -7.427 -3.611 -4.723 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -9.599 -4.739 -7.418 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -8.482 -5.986 -7.983 1.00 0.00 H new ATOM 1051 N LYS A 72 -12.720 -3.224 -4.627 1.00 0.00 N ATOM 1052 CA LYS A 72 -14.087 -3.783 -4.434 1.00 0.00 C ATOM 1053 C LYS A 72 -15.063 -3.086 -5.384 1.00 0.00 C ATOM 1054 O LYS A 72 -16.085 -3.630 -5.748 1.00 0.00 O ATOM 1055 CB LYS A 72 -14.532 -3.555 -2.988 1.00 0.00 C ATOM 1056 CG LYS A 72 -13.600 -4.313 -2.040 1.00 0.00 C ATOM 1057 CD LYS A 72 -13.501 -3.562 -0.711 1.00 0.00 C ATOM 1058 CE LYS A 72 -13.845 -4.510 0.438 1.00 0.00 C ATOM 1059 NZ LYS A 72 -15.086 -4.039 1.116 1.00 0.00 N ATOM 0 H LYS A 72 -12.449 -2.501 -3.961 1.00 0.00 H new ATOM 0 HA LYS A 72 -14.075 -4.852 -4.646 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -14.517 -2.490 -2.755 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -15.559 -3.896 -2.855 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -13.977 -5.322 -1.872 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -12.611 -4.413 -2.488 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -12.494 -3.165 -0.580 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -14.182 -2.711 -0.711 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -13.987 -5.522 0.059 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -13.021 -4.549 1.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -15.320 -4.684 1.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -14.934 -3.081 1.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -15.870 -4.024 0.433 1.00 0.00 H new ATOM 1073 N THR A 73 -14.756 -1.883 -5.787 1.00 0.00 N ATOM 1074 CA THR A 73 -15.665 -1.152 -6.713 1.00 0.00 C ATOM 1075 C THR A 73 -15.046 0.200 -7.072 1.00 0.00 C ATOM 1076 O THR A 73 -15.174 1.165 -6.345 1.00 0.00 O ATOM 1077 CB THR A 73 -17.017 -0.929 -6.029 1.00 0.00 C ATOM 1078 OG1 THR A 73 -17.755 0.048 -6.751 1.00 0.00 O ATOM 1079 CG2 THR A 73 -16.794 -0.445 -4.596 1.00 0.00 C ATOM 0 H THR A 73 -13.914 -1.375 -5.514 1.00 0.00 H new ATOM 0 HA THR A 73 -15.809 -1.738 -7.621 1.00 0.00 H new ATOM 0 HB THR A 73 -17.573 -1.866 -6.010 1.00 0.00 H new ATOM 0 HG1 THR A 73 -18.621 0.191 -6.316 1.00 0.00 H new ATOM 0 HG21 THR A 73 -17.757 -0.287 -4.111 1.00 0.00 H new ATOM 0 HG22 THR A 73 -16.228 -1.194 -4.043 1.00 0.00 H new ATOM 0 HG23 THR A 73 -16.237 0.492 -4.611 1.00 0.00 H new ATOM 1087 N ALA A 74 -14.377 0.278 -8.189 1.00 0.00 N ATOM 1088 CA ALA A 74 -13.750 1.568 -8.594 1.00 0.00 C ATOM 1089 C ALA A 74 -14.158 1.904 -10.029 1.00 0.00 C ATOM 1090 O ALA A 74 -13.381 1.771 -10.953 1.00 0.00 O ATOM 1091 CB ALA A 74 -12.227 1.443 -8.513 1.00 0.00 C ATOM 0 H ALA A 74 -14.237 -0.496 -8.839 1.00 0.00 H new ATOM 0 HA ALA A 74 -14.085 2.361 -7.925 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -11.768 2.386 -8.809 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -11.936 1.203 -7.490 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -11.891 0.650 -9.182 1.00 0.00 H new ATOM 1097 N HIS A 75 -15.373 2.339 -10.224 1.00 0.00 N ATOM 1098 CA HIS A 75 -15.829 2.683 -11.601 1.00 0.00 C ATOM 1099 C HIS A 75 -15.995 1.400 -12.416 1.00 0.00 C ATOM 1100 O HIS A 75 -15.826 1.391 -13.619 1.00 0.00 O ATOM 1101 CB HIS A 75 -14.792 3.584 -12.272 1.00 0.00 C ATOM 1102 CG HIS A 75 -15.483 4.522 -13.222 1.00 0.00 C ATOM 1103 ND1 HIS A 75 -16.381 5.485 -12.788 1.00 0.00 N ATOM 1104 CD2 HIS A 75 -15.419 4.658 -14.587 1.00 0.00 C ATOM 1105 CE1 HIS A 75 -16.818 6.150 -13.873 1.00 0.00 C ATOM 1106 NE2 HIS A 75 -16.263 5.686 -14.996 1.00 0.00 N ATOM 0 H HIS A 75 -16.069 2.471 -9.490 1.00 0.00 H new ATOM 0 HA HIS A 75 -16.783 3.207 -11.548 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -14.245 4.150 -11.518 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -14.061 2.979 -12.809 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -14.806 4.058 -15.244 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -17.531 6.961 -13.840 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -16.423 6.014 -15.948 1.00 0.00 H new ATOM 1114 N GLU A 76 -16.326 0.315 -11.772 1.00 0.00 N ATOM 1115 CA GLU A 76 -16.501 -0.967 -12.509 1.00 0.00 C ATOM 1116 C GLU A 76 -17.937 -1.464 -12.334 1.00 0.00 C ATOM 1117 O GLU A 76 -18.665 -1.640 -13.290 1.00 0.00 O ATOM 1118 CB GLU A 76 -15.528 -2.011 -11.956 1.00 0.00 C ATOM 1119 CG GLU A 76 -15.316 -3.114 -12.995 1.00 0.00 C ATOM 1120 CD GLU A 76 -14.930 -4.414 -12.287 1.00 0.00 C ATOM 1121 OE1 GLU A 76 -14.648 -4.359 -11.101 1.00 0.00 O ATOM 1122 OE2 GLU A 76 -14.922 -5.442 -12.943 1.00 0.00 O ATOM 0 H GLU A 76 -16.483 0.261 -10.766 1.00 0.00 H new ATOM 0 HA GLU A 76 -16.299 -0.808 -13.568 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -14.576 -1.541 -11.710 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -15.921 -2.437 -11.033 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -16.226 -3.260 -13.576 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -14.534 -2.823 -13.696 1.00 0.00 H new ATOM 1129 N THR A 77 -18.352 -1.691 -11.117 1.00 0.00 N ATOM 1130 CA THR A 77 -19.741 -2.176 -10.882 1.00 0.00 C ATOM 1131 C THR A 77 -20.651 -0.985 -10.573 1.00 0.00 C ATOM 1132 O THR A 77 -21.449 -1.024 -9.658 1.00 0.00 O ATOM 1133 CB THR A 77 -19.749 -3.146 -9.697 1.00 0.00 C ATOM 1134 OG1 THR A 77 -21.078 -3.590 -9.461 1.00 0.00 O ATOM 1135 CG2 THR A 77 -19.215 -2.437 -8.451 1.00 0.00 C ATOM 0 H THR A 77 -17.789 -1.561 -10.276 1.00 0.00 H new ATOM 0 HA THR A 77 -20.103 -2.688 -11.773 1.00 0.00 H new ATOM 0 HB THR A 77 -19.114 -4.003 -9.923 1.00 0.00 H new ATOM 0 HG1 THR A 77 -21.659 -2.816 -9.305 1.00 0.00 H new ATOM 0 HG21 THR A 77 -19.221 -3.128 -7.608 1.00 0.00 H new ATOM 0 HG22 THR A 77 -18.196 -2.097 -8.634 1.00 0.00 H new ATOM 0 HG23 THR A 77 -19.847 -1.579 -8.221 1.00 0.00 H new ATOM 1143 N ASP A 78 -20.537 0.072 -11.329 1.00 0.00 N ATOM 1144 CA ASP A 78 -21.395 1.263 -11.077 1.00 0.00 C ATOM 1145 C ASP A 78 -22.239 1.555 -12.321 1.00 0.00 C ATOM 1146 O ASP A 78 -22.246 2.658 -12.831 1.00 0.00 O ATOM 1147 CB ASP A 78 -20.512 2.473 -10.765 1.00 0.00 C ATOM 1148 CG ASP A 78 -20.877 3.029 -9.389 1.00 0.00 C ATOM 1149 OD1 ASP A 78 -22.043 3.323 -9.180 1.00 0.00 O ATOM 1150 OD2 ASP A 78 -19.985 3.156 -8.565 1.00 0.00 O ATOM 0 H ASP A 78 -19.887 0.162 -12.110 1.00 0.00 H new ATOM 0 HA ASP A 78 -22.051 1.065 -10.229 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -19.461 2.185 -10.785 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -20.647 3.241 -11.527 1.00 0.00 H new ATOM 1155 N LYS A 79 -22.947 0.577 -12.812 1.00 0.00 N ATOM 1156 CA LYS A 79 -23.788 0.800 -14.022 1.00 0.00 C ATOM 1157 C LYS A 79 -24.304 -0.544 -14.540 1.00 0.00 C ATOM 1158 O LYS A 79 -25.450 -0.897 -14.344 1.00 0.00 O ATOM 1159 CB LYS A 79 -22.950 1.478 -15.108 1.00 0.00 C ATOM 1160 CG LYS A 79 -23.428 2.918 -15.299 1.00 0.00 C ATOM 1161 CD LYS A 79 -22.342 3.729 -16.007 1.00 0.00 C ATOM 1162 CE LYS A 79 -22.428 3.488 -17.516 1.00 0.00 C ATOM 1163 NZ LYS A 79 -21.354 2.541 -17.930 1.00 0.00 N ATOM 0 H LYS A 79 -22.980 -0.367 -12.428 1.00 0.00 H new ATOM 0 HA LYS A 79 -24.633 1.438 -13.764 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -21.897 1.468 -14.828 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -23.036 0.928 -16.045 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -24.347 2.932 -15.885 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -23.659 3.366 -14.333 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -22.465 4.790 -15.790 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -21.358 3.440 -15.637 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -23.406 3.082 -17.775 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -22.323 4.431 -18.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -21.412 2.377 -18.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -20.425 2.946 -17.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -21.474 1.638 -17.428 1.00 0.00 H new ATOM 1177 N SER A 80 -23.468 -1.297 -15.200 1.00 0.00 N ATOM 1178 CA SER A 80 -23.911 -2.617 -15.730 1.00 0.00 C ATOM 1179 C SER A 80 -24.244 -3.550 -14.565 1.00 0.00 C ATOM 1180 O SER A 80 -24.877 -4.564 -14.806 1.00 0.00 O ATOM 1181 CB SER A 80 -22.790 -3.231 -16.570 1.00 0.00 C ATOM 1182 OG SER A 80 -22.100 -2.197 -17.262 1.00 0.00 O ATOM 1183 OXT SER A 80 -23.859 -3.235 -13.450 1.00 0.00 O ATOM 0 H SER A 80 -22.497 -1.055 -15.395 1.00 0.00 H new ATOM 0 HA SER A 80 -24.797 -2.480 -16.350 1.00 0.00 H new ATOM 0 HB2 SER A 80 -22.099 -3.780 -15.930 1.00 0.00 H new ATOM 0 HB3 SER A 80 -23.203 -3.947 -17.281 1.00 0.00 H new ATOM 0 HG SER A 80 -21.380 -2.587 -17.800 1.00 0.00 H new TER 1189 SER A 80