USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 403 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 17 GLN : amide:sc= -1.38 X(o=-1.6,f=-1.1) USER MOD Set 1.2: A 18 HIS : no HD1:sc= -0.194 X(o=-1.6,f=-1.4) USER MOD Set 2.1: A 11 THR OG1 : rot 150:sc= -0.124 USER MOD Set 2.2: A 15 TYR OH : rot -113:sc= 0.0843 USER MOD Single : A 1 SER N :NH3+ -123:sc= 0.805 (180deg=0.0116) USER MOD Single : A 1 SER OG : rot 180:sc= 0.242 USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN :FLIP amide:sc= -1.85 F(o=-2.7,f=-1.9) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 19 GLN : amide:sc=-0.00299 X(o=-0.003,f=-0.32) USER MOD Single : A 20 SER OG : rot 41:sc= 0.227 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -1.14! C(o=-1.1!,f=-8.2!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN :FLIP amide:sc= -0.674 F(o=-2.3,f=-0.67) USER MOD Single : A 38 SER OG : rot 65:sc= 0.00154 USER MOD Single : A 42 GLN : amide:sc= -4.18! C(o=-4.2!,f=-11!) USER MOD Single : A 44 HIS : no HD1:sc= -4.85! C(o=-4.8!,f=-5!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 152:sc= -0.0152 (180deg=-0.37) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 17.355 -2.252 -3.955 1.00 0.00 N ATOM 2 CA SER A 1 16.043 -1.595 -3.766 1.00 0.00 C ATOM 3 C SER A 1 15.392 -2.097 -2.485 1.00 0.00 C ATOM 4 O SER A 1 15.300 -3.289 -2.261 1.00 0.00 O ATOM 5 CB SER A 1 15.120 -1.923 -4.950 1.00 0.00 C ATOM 6 OG SER A 1 15.867 -2.847 -5.726 1.00 0.00 O ATOM 0 H1 SER A 1 18.098 -1.528 -4.031 1.00 0.00 H new ATOM 0 H2 SER A 1 17.554 -2.869 -3.142 1.00 0.00 H new ATOM 0 H3 SER A 1 17.336 -2.821 -4.825 1.00 0.00 H new ATOM 0 HA SER A 1 16.197 -0.518 -3.704 1.00 0.00 H new ATOM 0 HB2 SER A 1 14.178 -2.355 -4.613 1.00 0.00 H new ATOM 0 HB3 SER A 1 14.874 -1.029 -5.523 1.00 0.00 H new ATOM 0 HG SER A 1 15.344 -3.113 -6.511 1.00 0.00 H new ATOM 14 N TYR A 2 14.953 -1.174 -1.667 1.00 0.00 N ATOM 15 CA TYR A 2 14.302 -1.568 -0.388 1.00 0.00 C ATOM 16 C TYR A 2 13.044 -0.743 -0.149 1.00 0.00 C ATOM 17 O TYR A 2 12.788 0.219 -0.843 1.00 0.00 O ATOM 18 CB TYR A 2 15.288 -1.302 0.759 1.00 0.00 C ATOM 19 CG TYR A 2 16.475 -0.497 0.228 1.00 0.00 C ATOM 20 CD1 TYR A 2 16.401 0.877 0.124 1.00 0.00 C ATOM 21 CD2 TYR A 2 17.636 -1.135 -0.154 1.00 0.00 C ATOM 22 CE1 TYR A 2 17.472 1.601 -0.357 1.00 0.00 C ATOM 23 CE2 TYR A 2 18.706 -0.411 -0.635 1.00 0.00 C ATOM 24 CZ TYR A 2 18.634 0.963 -0.740 1.00 0.00 C ATOM 25 OH TYR A 2 19.705 1.685 -1.223 1.00 0.00 O ATOM 0 H TYR A 2 15.018 -0.169 -1.831 1.00 0.00 H new ATOM 0 HA TYR A 2 14.029 -2.622 -0.436 1.00 0.00 H new ATOM 0 HB2 TYR A 2 14.792 -0.755 1.561 1.00 0.00 H new ATOM 0 HB3 TYR A 2 15.634 -2.245 1.183 1.00 0.00 H new ATOM 0 HD1 TYR A 2 15.498 1.389 0.421 1.00 0.00 H new ATOM 0 HD2 TYR A 2 17.708 -2.210 -0.076 1.00 0.00 H new ATOM 0 HE1 TYR A 2 17.401 2.676 -0.434 1.00 0.00 H new ATOM 0 HE2 TYR A 2 19.609 -0.924 -0.932 1.00 0.00 H new ATOM 0 HH TYR A 2 20.439 1.074 -1.443 1.00 0.00 H new ATOM 35 N GLN A 3 12.282 -1.135 0.835 1.00 0.00 N ATOM 36 CA GLN A 3 11.039 -0.384 1.134 1.00 0.00 C ATOM 37 C GLN A 3 11.305 0.726 2.141 1.00 0.00 C ATOM 38 O GLN A 3 11.911 0.501 3.166 1.00 0.00 O ATOM 39 CB GLN A 3 10.016 -1.362 1.733 1.00 0.00 C ATOM 40 CG GLN A 3 9.303 -2.101 0.598 1.00 0.00 C ATOM 41 CD GLN A 3 8.443 -3.222 1.186 1.00 0.00 C ATOM 42 OE1 GLN A 3 7.262 -3.055 1.420 1.00 0.00 O ATOM 43 NE2 GLN A 3 8.994 -4.377 1.439 1.00 0.00 N ATOM 0 H GLN A 3 12.467 -1.936 1.438 1.00 0.00 H new ATOM 0 HA GLN A 3 10.663 0.064 0.214 1.00 0.00 H new ATOM 0 HB2 GLN A 3 10.517 -2.074 2.389 1.00 0.00 H new ATOM 0 HB3 GLN A 3 9.292 -0.822 2.343 1.00 0.00 H new ATOM 0 HG2 GLN A 3 8.680 -1.408 0.032 1.00 0.00 H new ATOM 0 HG3 GLN A 3 10.033 -2.514 -0.098 1.00 0.00 H new ATOM 0 HE21 GLN A 3 9.985 -4.523 1.245 1.00 0.00 H new ATOM 0 HE22 GLN A 3 8.434 -5.134 1.831 1.00 0.00 H new ATOM 52 N VAL A 4 10.844 1.906 1.828 1.00 0.00 N ATOM 53 CA VAL A 4 11.060 3.039 2.749 1.00 0.00 C ATOM 54 C VAL A 4 9.952 4.081 2.592 1.00 0.00 C ATOM 55 O VAL A 4 10.054 5.175 3.109 1.00 0.00 O ATOM 56 CB VAL A 4 12.405 3.693 2.394 1.00 0.00 C ATOM 57 CG1 VAL A 4 13.476 3.241 3.391 1.00 0.00 C ATOM 58 CG2 VAL A 4 12.819 3.264 0.988 1.00 0.00 C ATOM 0 H VAL A 4 10.330 2.127 0.975 1.00 0.00 H new ATOM 0 HA VAL A 4 11.056 2.675 3.776 1.00 0.00 H new ATOM 0 HB VAL A 4 12.302 4.777 2.436 1.00 0.00 H new ATOM 0 HG11 VAL A 4 14.429 3.706 3.137 1.00 0.00 H new ATOM 0 HG12 VAL A 4 13.184 3.538 4.398 1.00 0.00 H new ATOM 0 HG13 VAL A 4 13.579 2.157 3.348 1.00 0.00 H new ATOM 0 HG21 VAL A 4 13.773 3.726 0.733 1.00 0.00 H new ATOM 0 HG22 VAL A 4 12.921 2.179 0.954 1.00 0.00 H new ATOM 0 HG23 VAL A 4 12.060 3.580 0.273 1.00 0.00 H new ATOM 68 N ILE A 5 8.915 3.717 1.869 1.00 0.00 N ATOM 69 CA ILE A 5 7.790 4.660 1.658 1.00 0.00 C ATOM 70 C ILE A 5 6.494 4.141 2.275 1.00 0.00 C ATOM 71 O ILE A 5 6.402 2.997 2.672 1.00 0.00 O ATOM 72 CB ILE A 5 7.584 4.800 0.161 1.00 0.00 C ATOM 73 CG1 ILE A 5 7.507 3.424 -0.482 1.00 0.00 C ATOM 74 CG2 ILE A 5 8.784 5.556 -0.428 1.00 0.00 C ATOM 75 CD1 ILE A 5 6.348 3.406 -1.482 1.00 0.00 C ATOM 0 H ILE A 5 8.809 2.807 1.421 1.00 0.00 H new ATOM 0 HA ILE A 5 8.034 5.611 2.132 1.00 0.00 H new ATOM 0 HB ILE A 5 6.657 5.340 -0.032 1.00 0.00 H new ATOM 0 HG12 ILE A 5 8.444 3.192 -0.988 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.358 2.660 0.281 1.00 0.00 H new ATOM 0 HG21 ILE A 5 8.652 5.666 -1.504 1.00 0.00 H new ATOM 0 HG22 ILE A 5 8.854 6.542 0.031 1.00 0.00 H new ATOM 0 HG23 ILE A 5 9.699 4.998 -0.229 1.00 0.00 H new ATOM 0 HD11 ILE A 5 6.285 2.423 -1.948 1.00 0.00 H new ATOM 0 HD12 ILE A 5 5.415 3.621 -0.961 1.00 0.00 H new ATOM 0 HD13 ILE A 5 6.518 4.161 -2.249 1.00 0.00 H new ATOM 87 N CYS A 6 5.511 5.006 2.333 1.00 0.00 N ATOM 88 CA CYS A 6 4.200 4.610 2.914 1.00 0.00 C ATOM 89 C CYS A 6 3.075 5.156 2.057 1.00 0.00 C ATOM 90 O CYS A 6 2.942 6.351 1.900 1.00 0.00 O ATOM 91 CB CYS A 6 4.088 5.214 4.323 1.00 0.00 C ATOM 92 SG CYS A 6 4.279 4.091 5.727 1.00 0.00 S ATOM 0 H CYS A 6 5.564 5.969 2.002 1.00 0.00 H new ATOM 0 HA CYS A 6 4.129 3.523 2.956 1.00 0.00 H new ATOM 0 HB2 CYS A 6 4.840 5.998 4.414 1.00 0.00 H new ATOM 0 HB3 CYS A 6 3.114 5.695 4.407 1.00 0.00 H new ATOM 97 N ARG A 7 2.277 4.278 1.523 1.00 0.00 N ATOM 98 CA ARG A 7 1.158 4.737 0.674 1.00 0.00 C ATOM 99 C ARG A 7 -0.102 5.005 1.486 1.00 0.00 C ATOM 100 O ARG A 7 -0.717 4.092 1.998 1.00 0.00 O ATOM 101 CB ARG A 7 0.854 3.625 -0.330 1.00 0.00 C ATOM 102 CG ARG A 7 -0.134 4.150 -1.371 1.00 0.00 C ATOM 103 CD ARG A 7 -0.303 3.101 -2.471 1.00 0.00 C ATOM 104 NE ARG A 7 -1.748 2.764 -2.599 1.00 0.00 N ATOM 105 CZ ARG A 7 -2.544 3.583 -3.235 1.00 0.00 C ATOM 106 NH1 ARG A 7 -2.942 4.669 -2.631 1.00 0.00 N ATOM 107 NH2 ARG A 7 -2.912 3.289 -4.452 1.00 0.00 N ATOM 0 H ARG A 7 2.354 3.268 1.639 1.00 0.00 H new ATOM 0 HA ARG A 7 1.449 5.668 0.187 1.00 0.00 H new ATOM 0 HB2 ARG A 7 1.772 3.295 -0.816 1.00 0.00 H new ATOM 0 HB3 ARG A 7 0.436 2.759 0.183 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -1.095 4.364 -0.904 1.00 0.00 H new ATOM 0 HG3 ARG A 7 0.229 5.086 -1.796 1.00 0.00 H new ATOM 0 HD2 ARG A 7 0.080 3.482 -3.417 1.00 0.00 H new ATOM 0 HD3 ARG A 7 0.273 2.207 -2.231 1.00 0.00 H new ATOM 0 HE ARG A 7 -2.113 1.902 -2.194 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -2.632 4.866 -1.680 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -3.563 5.321 -3.110 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -2.579 2.431 -4.892 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -3.533 3.917 -4.963 1.00 0.00 H new ATOM 121 N ASP A 8 -0.465 6.261 1.584 1.00 0.00 N ATOM 122 CA ASP A 8 -1.685 6.613 2.355 1.00 0.00 C ATOM 123 C ASP A 8 -2.867 6.789 1.399 1.00 0.00 C ATOM 124 O ASP A 8 -2.851 7.653 0.541 1.00 0.00 O ATOM 125 CB ASP A 8 -1.427 7.922 3.103 1.00 0.00 C ATOM 126 CG ASP A 8 -2.480 8.081 4.191 1.00 0.00 C ATOM 127 OD1 ASP A 8 -3.565 7.573 3.970 1.00 0.00 O ATOM 128 OD2 ASP A 8 -2.140 8.695 5.187 1.00 0.00 O ATOM 0 H ASP A 8 0.030 7.048 1.165 1.00 0.00 H new ATOM 0 HA ASP A 8 -1.920 5.819 3.063 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.429 7.916 3.542 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -1.467 8.765 2.413 1.00 0.00 H new ATOM 133 N GLU A 9 -3.874 5.967 1.567 1.00 0.00 N ATOM 134 CA GLU A 9 -5.062 6.066 0.678 1.00 0.00 C ATOM 135 C GLU A 9 -6.100 7.063 1.182 1.00 0.00 C ATOM 136 O GLU A 9 -7.102 7.288 0.534 1.00 0.00 O ATOM 137 CB GLU A 9 -5.709 4.685 0.616 1.00 0.00 C ATOM 138 CG GLU A 9 -6.243 4.325 2.003 1.00 0.00 C ATOM 139 CD GLU A 9 -6.577 2.833 2.042 1.00 0.00 C ATOM 140 OE1 GLU A 9 -7.279 2.411 1.138 1.00 0.00 O ATOM 141 OE2 GLU A 9 -6.111 2.199 2.974 1.00 0.00 O ATOM 0 H GLU A 9 -3.921 5.237 2.278 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.726 6.415 -0.298 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -6.520 4.681 -0.113 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.982 3.942 0.288 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.501 4.564 2.765 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -7.132 4.915 2.228 1.00 0.00 H new ATOM 148 N LYS A 10 -5.857 7.644 2.315 1.00 0.00 N ATOM 149 CA LYS A 10 -6.842 8.620 2.837 1.00 0.00 C ATOM 150 C LYS A 10 -6.609 9.969 2.197 1.00 0.00 C ATOM 151 O LYS A 10 -7.458 10.838 2.227 1.00 0.00 O ATOM 152 CB LYS A 10 -6.630 8.755 4.350 1.00 0.00 C ATOM 153 CG LYS A 10 -7.587 7.818 5.125 1.00 0.00 C ATOM 154 CD LYS A 10 -6.782 7.048 6.168 1.00 0.00 C ATOM 155 CE LYS A 10 -7.737 6.200 7.017 1.00 0.00 C ATOM 156 NZ LYS A 10 -7.004 5.079 7.669 1.00 0.00 N ATOM 0 H LYS A 10 -5.033 7.490 2.896 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.853 8.280 2.614 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.597 8.514 4.600 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.799 9.788 4.655 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.374 8.397 5.608 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -8.076 7.126 4.439 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.047 6.409 5.678 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.230 7.741 6.803 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.208 6.824 7.776 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.535 5.804 6.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.667 4.516 8.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.575 4.474 6.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.258 5.463 8.284 1.00 0.00 H new ATOM 170 N THR A 11 -5.456 10.108 1.628 1.00 0.00 N ATOM 171 CA THR A 11 -5.097 11.376 0.959 1.00 0.00 C ATOM 172 C THR A 11 -4.586 11.060 -0.422 1.00 0.00 C ATOM 173 O THR A 11 -4.562 11.899 -1.300 1.00 0.00 O ATOM 174 CB THR A 11 -3.987 12.054 1.764 1.00 0.00 C ATOM 175 OG1 THR A 11 -2.853 12.046 0.922 1.00 0.00 O ATOM 176 CG2 THR A 11 -3.588 11.186 2.961 1.00 0.00 C ATOM 0 H THR A 11 -4.736 9.386 1.597 1.00 0.00 H new ATOM 0 HA THR A 11 -5.963 12.034 0.894 1.00 0.00 H new ATOM 0 HB THR A 11 -4.315 13.040 2.095 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.292 12.824 1.122 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.797 11.683 3.523 1.00 0.00 H new ATOM 0 HG22 THR A 11 -4.453 11.037 3.607 1.00 0.00 H new ATOM 0 HG23 THR A 11 -3.229 10.220 2.606 1.00 0.00 H new ATOM 184 N GLN A 12 -4.180 9.830 -0.584 1.00 0.00 N ATOM 185 CA GLN A 12 -3.658 9.391 -1.892 1.00 0.00 C ATOM 186 C GLN A 12 -2.288 9.980 -2.133 1.00 0.00 C ATOM 187 O GLN A 12 -1.970 10.412 -3.225 1.00 0.00 O ATOM 188 CB GLN A 12 -4.624 9.861 -2.991 1.00 0.00 C ATOM 189 CG GLN A 12 -4.718 8.778 -4.063 1.00 0.00 C ATOM 190 CD GLN A 12 -3.321 8.484 -4.614 1.00 0.00 C ATOM 191 OE1 GLN A 12 -2.629 7.506 -4.095 1.00 0.00 O flip ATOM 192 NE2 GLN A 12 -2.847 9.141 -5.520 1.00 0.00 N flip ATOM 0 H GLN A 12 -4.191 9.113 0.142 1.00 0.00 H new ATOM 0 HA GLN A 12 -3.575 8.304 -1.905 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -5.609 10.059 -2.568 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -4.271 10.795 -3.429 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -5.153 7.871 -3.642 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -5.377 9.104 -4.868 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -3.383 9.906 -5.930 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -1.913 8.927 -5.871 1.00 0.00 H new ATOM 201 N MET A 13 -1.496 9.979 -1.099 1.00 0.00 N ATOM 202 CA MET A 13 -0.132 10.531 -1.221 1.00 0.00 C ATOM 203 C MET A 13 0.865 9.634 -0.509 1.00 0.00 C ATOM 204 O MET A 13 0.602 9.155 0.578 1.00 0.00 O ATOM 205 CB MET A 13 -0.107 11.920 -0.567 1.00 0.00 C ATOM 206 CG MET A 13 1.319 12.464 -0.602 1.00 0.00 C ATOM 207 SD MET A 13 1.528 14.261 -0.578 1.00 0.00 S ATOM 208 CE MET A 13 2.597 14.381 -2.032 1.00 0.00 C ATOM 0 H MET A 13 -1.740 9.618 -0.177 1.00 0.00 H new ATOM 0 HA MET A 13 0.139 10.596 -2.275 1.00 0.00 H new ATOM 0 HB2 MET A 13 -0.780 12.596 -1.094 1.00 0.00 H new ATOM 0 HB3 MET A 13 -0.460 11.857 0.462 1.00 0.00 H new ATOM 0 HG2 MET A 13 1.858 12.051 0.251 1.00 0.00 H new ATOM 0 HG3 MET A 13 1.803 12.081 -1.500 1.00 0.00 H new ATOM 0 HE1 MET A 13 2.856 15.425 -2.208 1.00 0.00 H new ATOM 0 HE2 MET A 13 3.507 13.805 -1.863 1.00 0.00 H new ATOM 0 HE3 MET A 13 2.073 13.986 -2.902 1.00 0.00 H new ATOM 218 N ILE A 14 1.992 9.418 -1.131 1.00 0.00 N ATOM 219 CA ILE A 14 3.010 8.556 -0.503 1.00 0.00 C ATOM 220 C ILE A 14 4.034 9.382 0.265 1.00 0.00 C ATOM 221 O ILE A 14 4.408 10.459 -0.156 1.00 0.00 O ATOM 222 CB ILE A 14 3.722 7.782 -1.605 1.00 0.00 C ATOM 223 CG1 ILE A 14 2.689 7.168 -2.538 1.00 0.00 C ATOM 224 CG2 ILE A 14 4.546 6.650 -0.959 1.00 0.00 C ATOM 225 CD1 ILE A 14 3.370 6.137 -3.440 1.00 0.00 C ATOM 0 H ILE A 14 2.243 9.803 -2.042 1.00 0.00 H new ATOM 0 HA ILE A 14 2.521 7.882 0.200 1.00 0.00 H new ATOM 0 HB ILE A 14 4.373 8.451 -2.168 1.00 0.00 H new ATOM 0 HG12 ILE A 14 1.896 6.694 -1.959 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.222 7.945 -3.143 1.00 0.00 H new ATOM 0 HG21 ILE A 14 5.062 6.086 -1.736 1.00 0.00 H new ATOM 0 HG22 ILE A 14 5.278 7.078 -0.274 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.881 5.984 -0.409 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.632 5.695 -4.110 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.147 6.625 -4.028 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.817 5.355 -2.826 1.00 0.00 H new ATOM 237 N TYR A 15 4.467 8.848 1.382 1.00 0.00 N ATOM 238 CA TYR A 15 5.471 9.563 2.217 1.00 0.00 C ATOM 239 C TYR A 15 6.729 8.718 2.375 1.00 0.00 C ATOM 240 O TYR A 15 6.779 7.593 1.923 1.00 0.00 O ATOM 241 CB TYR A 15 4.854 9.795 3.605 1.00 0.00 C ATOM 242 CG TYR A 15 3.557 10.590 3.450 1.00 0.00 C ATOM 243 CD1 TYR A 15 3.591 11.950 3.225 1.00 0.00 C ATOM 244 CD2 TYR A 15 2.333 9.955 3.529 1.00 0.00 C ATOM 245 CE1 TYR A 15 2.421 12.666 3.082 1.00 0.00 C ATOM 246 CE2 TYR A 15 1.162 10.672 3.386 1.00 0.00 C ATOM 247 CZ TYR A 15 1.199 12.033 3.161 1.00 0.00 C ATOM 248 OH TYR A 15 0.029 12.748 3.015 1.00 0.00 O ATOM 0 H TYR A 15 4.165 7.945 1.748 1.00 0.00 H new ATOM 0 HA TYR A 15 5.738 10.506 1.741 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.654 8.840 4.092 1.00 0.00 H new ATOM 0 HB3 TYR A 15 5.553 10.337 4.242 1.00 0.00 H new ATOM 0 HD1 TYR A 15 4.542 12.459 3.160 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.292 8.890 3.704 1.00 0.00 H new ATOM 0 HE1 TYR A 15 2.462 13.731 2.907 1.00 0.00 H new ATOM 0 HE2 TYR A 15 0.211 10.165 3.451 1.00 0.00 H new ATOM 0 HH TYR A 15 -0.460 12.752 3.864 1.00 0.00 H new ATOM 258 N GLN A 16 7.725 9.275 3.011 1.00 0.00 N ATOM 259 CA GLN A 16 8.980 8.516 3.202 1.00 0.00 C ATOM 260 C GLN A 16 8.965 7.738 4.513 1.00 0.00 C ATOM 261 O GLN A 16 7.987 7.740 5.234 1.00 0.00 O ATOM 262 CB GLN A 16 10.141 9.517 3.233 1.00 0.00 C ATOM 263 CG GLN A 16 10.213 10.242 1.890 1.00 0.00 C ATOM 264 CD GLN A 16 11.443 11.151 1.872 1.00 0.00 C ATOM 265 OE1 GLN A 16 12.506 10.786 2.336 1.00 0.00 O ATOM 266 NE2 GLN A 16 11.342 12.340 1.348 1.00 0.00 N ATOM 0 H GLN A 16 7.718 10.217 3.402 1.00 0.00 H new ATOM 0 HA GLN A 16 9.090 7.803 2.385 1.00 0.00 H new ATOM 0 HB2 GLN A 16 9.997 10.235 4.040 1.00 0.00 H new ATOM 0 HB3 GLN A 16 11.079 8.999 3.431 1.00 0.00 H new ATOM 0 HG2 GLN A 16 10.269 9.519 1.076 1.00 0.00 H new ATOM 0 HG3 GLN A 16 9.309 10.831 1.732 1.00 0.00 H new ATOM 0 HE21 GLN A 16 10.453 12.651 0.957 1.00 0.00 H new ATOM 0 HE22 GLN A 16 12.152 12.959 1.329 1.00 0.00 H new ATOM 275 N GLN A 17 10.059 7.088 4.792 1.00 0.00 N ATOM 276 CA GLN A 17 10.150 6.294 6.045 1.00 0.00 C ATOM 277 C GLN A 17 10.296 7.188 7.275 1.00 0.00 C ATOM 278 O GLN A 17 10.928 8.224 7.224 1.00 0.00 O ATOM 279 CB GLN A 17 11.388 5.396 5.955 1.00 0.00 C ATOM 280 CG GLN A 17 11.212 4.213 6.907 1.00 0.00 C ATOM 281 CD GLN A 17 12.562 3.525 7.117 1.00 0.00 C ATOM 282 OE1 GLN A 17 13.384 3.970 7.892 1.00 0.00 O ATOM 283 NE2 GLN A 17 12.826 2.437 6.447 1.00 0.00 N ATOM 0 H GLN A 17 10.894 7.073 4.206 1.00 0.00 H new ATOM 0 HA GLN A 17 9.233 5.714 6.150 1.00 0.00 H new ATOM 0 HB2 GLN A 17 11.523 5.041 4.933 1.00 0.00 H new ATOM 0 HB3 GLN A 17 12.283 5.961 6.217 1.00 0.00 H new ATOM 0 HG2 GLN A 17 10.814 4.556 7.862 1.00 0.00 H new ATOM 0 HG3 GLN A 17 10.491 3.506 6.497 1.00 0.00 H new ATOM 0 HE21 GLN A 17 12.138 2.060 5.795 1.00 0.00 H new ATOM 0 HE22 GLN A 17 13.720 1.963 6.575 1.00 0.00 H new ATOM 292 N HIS A 18 9.699 6.766 8.362 1.00 0.00 N ATOM 293 CA HIS A 18 9.788 7.568 9.608 1.00 0.00 C ATOM 294 C HIS A 18 9.378 9.011 9.356 1.00 0.00 C ATOM 295 O HIS A 18 9.805 9.911 10.054 1.00 0.00 O ATOM 296 CB HIS A 18 11.239 7.542 10.114 1.00 0.00 C ATOM 297 CG HIS A 18 11.620 6.112 10.521 1.00 0.00 C ATOM 298 ND1 HIS A 18 12.739 5.590 10.328 1.00 0.00 N ATOM 299 CD2 HIS A 18 10.868 5.140 11.165 1.00 0.00 C ATOM 300 CE1 HIS A 18 12.784 4.403 10.775 1.00 0.00 C ATOM 301 NE2 HIS A 18 11.632 4.024 11.330 1.00 0.00 N ATOM 0 H HIS A 18 9.158 5.904 8.435 1.00 0.00 H new ATOM 0 HA HIS A 18 9.114 7.139 10.349 1.00 0.00 H new ATOM 0 HB2 HIS A 18 11.912 7.900 9.335 1.00 0.00 H new ATOM 0 HB3 HIS A 18 11.350 8.214 10.965 1.00 0.00 H new ATOM 0 HD2 HIS A 18 9.842 5.250 11.484 1.00 0.00 H new ATOM 0 HE1 HIS A 18 13.657 3.771 10.713 1.00 0.00 H new ATOM 0 HE2 HIS A 18 11.387 3.134 11.764 1.00 0.00 H new ATOM 309 N GLN A 19 8.552 9.203 8.362 1.00 0.00 N ATOM 310 CA GLN A 19 8.093 10.577 8.038 1.00 0.00 C ATOM 311 C GLN A 19 6.699 10.804 8.596 1.00 0.00 C ATOM 312 O GLN A 19 5.798 10.042 8.331 1.00 0.00 O ATOM 313 CB GLN A 19 8.050 10.722 6.513 1.00 0.00 C ATOM 314 CG GLN A 19 7.627 12.148 6.150 1.00 0.00 C ATOM 315 CD GLN A 19 8.245 12.532 4.804 1.00 0.00 C ATOM 316 OE1 GLN A 19 9.447 12.646 4.671 1.00 0.00 O ATOM 317 NE2 GLN A 19 7.460 12.740 3.782 1.00 0.00 N ATOM 0 H GLN A 19 8.178 8.466 7.764 1.00 0.00 H new ATOM 0 HA GLN A 19 8.774 11.306 8.476 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.029 10.502 6.088 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.349 10.004 6.088 1.00 0.00 H new ATOM 0 HG2 GLN A 19 6.540 12.215 6.096 1.00 0.00 H new ATOM 0 HG3 GLN A 19 7.951 12.844 6.924 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.450 12.646 3.887 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.857 12.997 2.878 1.00 0.00 H new ATOM 326 N SER A 20 6.547 11.849 9.358 1.00 0.00 N ATOM 327 CA SER A 20 5.218 12.132 9.939 1.00 0.00 C ATOM 328 C SER A 20 4.414 13.108 9.099 1.00 0.00 C ATOM 329 O SER A 20 4.890 14.168 8.743 1.00 0.00 O ATOM 330 CB SER A 20 5.429 12.752 11.318 1.00 0.00 C ATOM 331 OG SER A 20 6.504 13.661 11.130 1.00 0.00 O ATOM 0 H SER A 20 7.283 12.512 9.600 1.00 0.00 H new ATOM 0 HA SER A 20 4.663 11.195 9.986 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.532 13.263 11.667 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.674 11.994 12.062 1.00 0.00 H new ATOM 0 HG SER A 20 6.391 14.129 10.277 1.00 0.00 H new ATOM 337 N TRP A 21 3.201 12.719 8.798 1.00 0.00 N ATOM 338 CA TRP A 21 2.320 13.593 7.985 1.00 0.00 C ATOM 339 C TRP A 21 0.942 13.667 8.616 1.00 0.00 C ATOM 340 O TRP A 21 0.305 12.659 8.853 1.00 0.00 O ATOM 341 CB TRP A 21 2.212 13.041 6.544 1.00 0.00 C ATOM 342 CG TRP A 21 1.381 11.741 6.488 1.00 0.00 C ATOM 343 CD1 TRP A 21 0.086 11.694 6.173 1.00 0.00 C ATOM 344 CD2 TRP A 21 1.882 10.524 6.591 1.00 0.00 C ATOM 345 NE1 TRP A 21 -0.170 10.369 6.068 1.00 0.00 N ATOM 346 CE2 TRP A 21 0.920 9.562 6.322 1.00 0.00 C ATOM 347 CE3 TRP A 21 3.170 10.126 6.908 1.00 0.00 C ATOM 348 CZ2 TRP A 21 1.243 8.222 6.364 1.00 0.00 C ATOM 349 CZ3 TRP A 21 3.487 8.778 6.950 1.00 0.00 C ATOM 350 CH2 TRP A 21 2.525 7.832 6.678 1.00 0.00 C ATOM 0 H TRP A 21 2.787 11.831 9.083 1.00 0.00 H new ATOM 0 HA TRP A 21 2.749 14.594 7.949 1.00 0.00 H new ATOM 0 HB2 TRP A 21 1.755 13.793 5.900 1.00 0.00 H new ATOM 0 HB3 TRP A 21 3.211 12.851 6.152 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -0.597 12.519 6.034 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -1.088 9.999 5.823 1.00 0.00 H new ATOM 0 HE3 TRP A 21 3.927 10.866 7.122 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 0.490 7.478 6.150 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 4.492 8.469 7.197 1.00 0.00 H new ATOM 0 HH2 TRP A 21 2.776 6.782 6.711 1.00 0.00 H new ATOM 361 N LEU A 22 0.508 14.867 8.880 1.00 0.00 N ATOM 362 CA LEU A 22 -0.821 15.045 9.499 1.00 0.00 C ATOM 363 C LEU A 22 -1.933 14.897 8.471 1.00 0.00 C ATOM 364 O LEU A 22 -1.705 14.968 7.280 1.00 0.00 O ATOM 365 CB LEU A 22 -0.882 16.469 10.088 1.00 0.00 C ATOM 366 CG LEU A 22 -0.140 16.529 11.437 1.00 0.00 C ATOM 367 CD1 LEU A 22 -0.965 15.821 12.521 1.00 0.00 C ATOM 368 CD2 LEU A 22 1.236 15.851 11.308 1.00 0.00 C ATOM 0 H LEU A 22 1.021 15.728 8.692 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.961 14.285 10.267 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.436 17.177 9.389 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.921 16.768 10.225 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.001 17.573 11.718 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.433 15.868 13.471 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.932 16.313 12.622 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.116 14.779 12.241 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.755 15.897 12.265 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.102 14.809 11.017 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.826 16.366 10.550 1.00 0.00 H new ATOM 380 N ARG A 23 -3.118 14.689 8.965 1.00 0.00 N ATOM 381 CA ARG A 23 -4.286 14.528 8.070 1.00 0.00 C ATOM 382 C ARG A 23 -5.489 15.287 8.666 1.00 0.00 C ATOM 383 O ARG A 23 -5.513 15.574 9.846 1.00 0.00 O ATOM 384 CB ARG A 23 -4.599 13.007 7.995 1.00 0.00 C ATOM 385 CG ARG A 23 -4.034 12.412 6.687 1.00 0.00 C ATOM 386 CD ARG A 23 -3.631 10.955 6.931 1.00 0.00 C ATOM 387 NE ARG A 23 -4.742 10.250 7.626 1.00 0.00 N ATOM 388 CZ ARG A 23 -4.519 9.085 8.176 1.00 0.00 C ATOM 389 NH1 ARG A 23 -3.628 8.294 7.640 1.00 0.00 N ATOM 390 NH2 ARG A 23 -5.200 8.748 9.238 1.00 0.00 N ATOM 0 H ARG A 23 -3.326 14.623 9.961 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.083 14.926 7.076 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -4.164 12.496 8.854 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.676 12.847 8.041 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.781 12.468 5.895 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.172 12.989 6.353 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.408 10.463 5.984 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.724 10.912 7.534 1.00 0.00 H new ATOM 0 HE ARG A 23 -5.669 10.672 7.673 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -3.120 8.589 6.806 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -3.441 7.381 8.055 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -5.892 9.390 9.625 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -5.040 7.843 9.681 1.00 0.00 H new ATOM 404 N PRO A 24 -6.477 15.600 7.834 1.00 0.00 N ATOM 405 CA PRO A 24 -7.657 16.322 8.301 1.00 0.00 C ATOM 406 C PRO A 24 -8.221 15.737 9.591 1.00 0.00 C ATOM 407 O PRO A 24 -7.843 14.660 10.011 1.00 0.00 O ATOM 408 CB PRO A 24 -8.684 16.180 7.158 1.00 0.00 C ATOM 409 CG PRO A 24 -7.939 15.536 5.950 1.00 0.00 C ATOM 410 CD PRO A 24 -6.501 15.229 6.411 1.00 0.00 C ATOM 0 HA PRO A 24 -7.414 17.360 8.530 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -9.523 15.558 7.469 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -9.093 17.153 6.884 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.443 14.624 5.629 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -7.933 16.214 5.096 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -6.257 14.176 6.272 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.771 15.803 5.840 1.00 0.00 H new ATOM 418 N VAL A 25 -9.115 16.470 10.196 1.00 0.00 N ATOM 419 CA VAL A 25 -9.726 15.996 11.460 1.00 0.00 C ATOM 420 C VAL A 25 -10.907 15.083 11.187 1.00 0.00 C ATOM 421 O VAL A 25 -11.270 14.853 10.050 1.00 0.00 O ATOM 422 CB VAL A 25 -10.229 17.231 12.245 1.00 0.00 C ATOM 423 CG1 VAL A 25 -9.330 18.429 11.939 1.00 0.00 C ATOM 424 CG2 VAL A 25 -11.667 17.574 11.819 1.00 0.00 C ATOM 0 H VAL A 25 -9.446 17.377 9.866 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.980 15.439 12.027 1.00 0.00 H new ATOM 0 HB VAL A 25 -10.206 17.005 13.311 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.683 19.300 12.491 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.306 18.201 12.237 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.358 18.641 10.870 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -12.014 18.444 12.376 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -11.687 17.795 10.752 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -12.320 16.726 12.027 1.00 0.00 H new ATOM 434 N LEU A 26 -11.488 14.577 12.235 1.00 0.00 N ATOM 435 CA LEU A 26 -12.647 13.684 12.051 1.00 0.00 C ATOM 436 C LEU A 26 -13.863 14.524 11.692 1.00 0.00 C ATOM 437 O LEU A 26 -14.345 14.478 10.580 1.00 0.00 O ATOM 438 CB LEU A 26 -12.926 12.926 13.377 1.00 0.00 C ATOM 439 CG LEU A 26 -11.602 12.486 14.023 1.00 0.00 C ATOM 440 CD1 LEU A 26 -11.903 11.815 15.368 1.00 0.00 C ATOM 441 CD2 LEU A 26 -10.892 11.481 13.106 1.00 0.00 C ATOM 0 H LEU A 26 -11.209 14.745 13.202 1.00 0.00 H new ATOM 0 HA LEU A 26 -12.440 12.967 11.256 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -13.478 13.568 14.063 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -13.552 12.055 13.182 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.961 13.355 14.174 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.970 11.499 15.834 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.414 12.522 16.021 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -12.540 10.945 15.206 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.954 11.170 13.565 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -11.530 10.610 12.958 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -10.687 11.949 12.143 1.00 0.00 H new ATOM 453 N ARG A 27 -14.322 15.292 12.645 1.00 0.00 N ATOM 454 CA ARG A 27 -15.506 16.159 12.401 1.00 0.00 C ATOM 455 C ARG A 27 -15.459 17.384 13.299 1.00 0.00 C ATOM 456 O ARG A 27 -16.166 18.348 13.078 1.00 0.00 O ATOM 457 CB ARG A 27 -16.782 15.366 12.731 1.00 0.00 C ATOM 458 CG ARG A 27 -16.909 14.197 11.758 1.00 0.00 C ATOM 459 CD ARG A 27 -18.354 13.670 11.767 1.00 0.00 C ATOM 460 NE ARG A 27 -18.510 12.675 10.670 1.00 0.00 N ATOM 461 CZ ARG A 27 -19.610 11.976 10.590 1.00 0.00 C ATOM 462 NH1 ARG A 27 -19.679 10.835 11.220 1.00 0.00 N ATOM 463 NH2 ARG A 27 -20.606 12.441 9.885 1.00 0.00 N ATOM 0 H ARG A 27 -13.925 15.354 13.583 1.00 0.00 H new ATOM 0 HA ARG A 27 -15.503 16.474 11.357 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -16.742 14.999 13.757 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -17.656 16.013 12.658 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -16.634 14.517 10.753 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -16.220 13.401 12.039 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -18.582 13.210 12.729 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -19.056 14.493 11.633 1.00 0.00 H new ATOM 0 HE ARG A 27 -17.764 12.541 9.987 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -18.882 10.503 11.763 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -20.530 10.275 11.169 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -20.518 13.338 9.407 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -21.472 11.907 9.812 1.00 0.00 H new ATOM 477 N SER A 28 -14.619 17.322 14.300 1.00 0.00 N ATOM 478 CA SER A 28 -14.498 18.462 15.234 1.00 0.00 C ATOM 479 C SER A 28 -13.265 19.306 14.915 1.00 0.00 C ATOM 480 O SER A 28 -13.171 19.889 13.856 1.00 0.00 O ATOM 481 CB SER A 28 -14.360 17.890 16.652 1.00 0.00 C ATOM 482 OG SER A 28 -15.655 17.394 16.953 1.00 0.00 O ATOM 0 H SER A 28 -14.014 16.526 14.505 1.00 0.00 H new ATOM 0 HA SER A 28 -15.377 19.100 15.144 1.00 0.00 H new ATOM 0 HB2 SER A 28 -13.611 17.099 16.692 1.00 0.00 H new ATOM 0 HB3 SER A 28 -14.052 18.657 17.363 1.00 0.00 H new ATOM 0 HG SER A 28 -15.655 17.004 17.852 1.00 0.00 H new ATOM 488 N ASN A 29 -12.342 19.348 15.849 1.00 0.00 N ATOM 489 CA ASN A 29 -11.107 20.137 15.644 1.00 0.00 C ATOM 490 C ASN A 29 -9.870 19.289 15.924 1.00 0.00 C ATOM 491 O ASN A 29 -8.769 19.798 16.002 1.00 0.00 O ATOM 492 CB ASN A 29 -11.134 21.310 16.627 1.00 0.00 C ATOM 493 CG ASN A 29 -11.214 20.776 18.059 1.00 0.00 C ATOM 494 OD1 ASN A 29 -10.974 19.613 18.315 1.00 0.00 O ATOM 495 ND2 ASN A 29 -11.549 21.593 19.021 1.00 0.00 N ATOM 0 H ASN A 29 -12.401 18.864 16.745 1.00 0.00 H new ATOM 0 HA ASN A 29 -11.063 20.483 14.611 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -10.239 21.921 16.505 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -11.990 21.953 16.419 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -11.608 21.254 19.981 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -11.752 22.571 18.812 1.00 0.00 H new ATOM 502 N ARG A 30 -10.075 18.009 16.065 1.00 0.00 N ATOM 503 CA ARG A 30 -8.930 17.110 16.339 1.00 0.00 C ATOM 504 C ARG A 30 -7.999 17.078 15.140 1.00 0.00 C ATOM 505 O ARG A 30 -8.183 17.809 14.197 1.00 0.00 O ATOM 506 CB ARG A 30 -9.481 15.695 16.576 1.00 0.00 C ATOM 507 CG ARG A 30 -10.571 15.750 17.653 1.00 0.00 C ATOM 508 CD ARG A 30 -10.286 14.676 18.708 1.00 0.00 C ATOM 509 NE ARG A 30 -11.390 14.671 19.714 1.00 0.00 N ATOM 510 CZ ARG A 30 -11.662 13.567 20.360 1.00 0.00 C ATOM 511 NH1 ARG A 30 -12.260 12.595 19.727 1.00 0.00 N ATOM 512 NH2 ARG A 30 -11.324 13.474 21.618 1.00 0.00 N ATOM 0 H ARG A 30 -10.985 17.552 16.002 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.380 17.466 17.210 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.889 15.291 15.649 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.678 15.027 16.888 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -10.593 16.736 18.116 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -11.551 15.587 17.205 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -10.204 13.697 18.235 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -9.333 14.874 19.198 1.00 0.00 H new ATOM 0 HE ARG A 30 -11.926 15.520 19.895 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -12.508 12.703 18.744 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -12.480 11.727 20.216 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -10.856 14.254 22.079 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.528 12.621 22.139 1.00 0.00 H new ATOM 526 N VAL A 31 -7.004 16.248 15.208 1.00 0.00 N ATOM 527 CA VAL A 31 -6.049 16.159 14.069 1.00 0.00 C ATOM 528 C VAL A 31 -5.568 14.726 13.883 1.00 0.00 C ATOM 529 O VAL A 31 -5.276 14.039 14.841 1.00 0.00 O ATOM 530 CB VAL A 31 -4.816 17.052 14.358 1.00 0.00 C ATOM 531 CG1 VAL A 31 -4.605 18.014 13.184 1.00 0.00 C ATOM 532 CG2 VAL A 31 -5.039 17.869 15.637 1.00 0.00 C ATOM 0 H VAL A 31 -6.808 15.630 15.995 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.561 16.491 13.166 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.941 16.416 14.487 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.739 18.645 13.382 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.437 17.443 12.271 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.489 18.640 13.063 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.165 18.492 15.828 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.917 18.503 15.515 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.194 17.193 16.478 1.00 0.00 H new ATOM 542 N GLU A 32 -5.493 14.293 12.649 1.00 0.00 N ATOM 543 CA GLU A 32 -5.035 12.914 12.398 1.00 0.00 C ATOM 544 C GLU A 32 -3.533 12.916 12.218 1.00 0.00 C ATOM 545 O GLU A 32 -3.016 13.513 11.299 1.00 0.00 O ATOM 546 CB GLU A 32 -5.700 12.396 11.121 1.00 0.00 C ATOM 547 CG GLU A 32 -7.119 11.922 11.455 1.00 0.00 C ATOM 548 CD GLU A 32 -7.800 11.418 10.180 1.00 0.00 C ATOM 549 OE1 GLU A 32 -7.948 12.235 9.287 1.00 0.00 O ATOM 550 OE2 GLU A 32 -8.135 10.243 10.173 1.00 0.00 O ATOM 0 H GLU A 32 -5.729 14.837 11.819 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.301 12.273 13.238 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.733 13.183 10.368 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.118 11.576 10.699 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.083 11.127 12.200 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.695 12.739 11.889 1.00 0.00 H new ATOM 557 N TYR A 33 -2.864 12.238 13.097 1.00 0.00 N ATOM 558 CA TYR A 33 -1.394 12.175 13.017 1.00 0.00 C ATOM 559 C TYR A 33 -0.943 10.815 12.578 1.00 0.00 C ATOM 560 O TYR A 33 -1.396 9.814 13.093 1.00 0.00 O ATOM 561 CB TYR A 33 -0.860 12.444 14.443 1.00 0.00 C ATOM 562 CG TYR A 33 0.676 12.591 14.452 1.00 0.00 C ATOM 563 CD1 TYR A 33 1.502 11.504 14.204 1.00 0.00 C ATOM 564 CD2 TYR A 33 1.256 13.806 14.755 1.00 0.00 C ATOM 565 CE1 TYR A 33 2.866 11.633 14.259 1.00 0.00 C ATOM 566 CE2 TYR A 33 2.625 13.932 14.809 1.00 0.00 C ATOM 567 CZ TYR A 33 3.443 12.847 14.562 1.00 0.00 C ATOM 568 OH TYR A 33 4.815 12.975 14.620 1.00 0.00 O ATOM 0 H TYR A 33 -3.279 11.722 13.873 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.023 12.904 12.296 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -1.316 13.352 14.838 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.152 11.627 15.103 1.00 0.00 H new ATOM 0 HD1 TYR A 33 1.066 10.545 13.965 1.00 0.00 H new ATOM 0 HD2 TYR A 33 0.631 14.664 14.951 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.493 10.776 14.063 1.00 0.00 H new ATOM 0 HE2 TYR A 33 3.065 14.889 15.047 1.00 0.00 H new ATOM 0 HH TYR A 33 5.048 13.900 14.846 1.00 0.00 H new ATOM 578 N CYS A 34 -0.053 10.785 11.631 1.00 0.00 N ATOM 579 CA CYS A 34 0.427 9.477 11.166 1.00 0.00 C ATOM 580 C CYS A 34 1.834 9.546 10.652 1.00 0.00 C ATOM 581 O CYS A 34 2.266 10.543 10.122 1.00 0.00 O ATOM 582 CB CYS A 34 -0.490 8.950 10.057 1.00 0.00 C ATOM 583 SG CYS A 34 -0.329 7.194 9.634 1.00 0.00 S ATOM 0 H CYS A 34 0.353 11.600 11.170 1.00 0.00 H new ATOM 0 HA CYS A 34 0.412 8.801 12.021 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.523 9.136 10.352 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.306 9.535 9.156 1.00 0.00 H new ATOM 588 N TRP A 35 2.525 8.466 10.826 1.00 0.00 N ATOM 589 CA TRP A 35 3.914 8.405 10.367 1.00 0.00 C ATOM 590 C TRP A 35 4.284 6.982 9.982 1.00 0.00 C ATOM 591 O TRP A 35 3.734 6.041 10.502 1.00 0.00 O ATOM 592 CB TRP A 35 4.817 8.845 11.520 1.00 0.00 C ATOM 593 CG TRP A 35 5.252 7.597 12.296 1.00 0.00 C ATOM 594 CD1 TRP A 35 6.318 6.893 11.992 1.00 0.00 C ATOM 595 CD2 TRP A 35 4.608 7.070 13.317 1.00 0.00 C ATOM 596 NE1 TRP A 35 6.313 5.893 12.877 1.00 0.00 N ATOM 597 CE2 TRP A 35 5.254 5.929 13.766 1.00 0.00 C ATOM 598 CE3 TRP A 35 3.444 7.484 13.944 1.00 0.00 C ATOM 599 CZ2 TRP A 35 4.744 5.214 14.830 1.00 0.00 C ATOM 600 CZ3 TRP A 35 2.938 6.765 15.008 1.00 0.00 C ATOM 601 CH2 TRP A 35 3.587 5.633 15.450 1.00 0.00 C ATOM 0 H TRP A 35 2.177 7.617 11.272 1.00 0.00 H new ATOM 0 HA TRP A 35 4.036 9.052 9.499 1.00 0.00 H new ATOM 0 HB2 TRP A 35 5.688 9.377 11.138 1.00 0.00 H new ATOM 0 HB3 TRP A 35 4.286 9.534 12.177 1.00 0.00 H new ATOM 0 HD1 TRP A 35 7.035 7.080 11.206 1.00 0.00 H new ATOM 0 HE1 TRP A 35 7.028 5.166 12.896 1.00 0.00 H new ATOM 0 HE3 TRP A 35 2.932 8.370 13.600 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 5.252 4.326 15.177 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 2.031 7.091 15.495 1.00 0.00 H new ATOM 0 HH2 TRP A 35 3.188 5.073 16.283 1.00 0.00 H new ATOM 612 N CYS A 36 5.222 6.854 9.091 1.00 0.00 N ATOM 613 CA CYS A 36 5.643 5.492 8.658 1.00 0.00 C ATOM 614 C CYS A 36 6.620 4.865 9.648 1.00 0.00 C ATOM 615 O CYS A 36 7.736 5.323 9.790 1.00 0.00 O ATOM 616 CB CYS A 36 6.351 5.617 7.310 1.00 0.00 C ATOM 617 SG CYS A 36 6.242 4.211 6.180 1.00 0.00 S ATOM 0 H CYS A 36 5.715 7.627 8.644 1.00 0.00 H new ATOM 0 HA CYS A 36 4.757 4.861 8.596 1.00 0.00 H new ATOM 0 HB2 CYS A 36 5.950 6.492 6.799 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.406 5.815 7.501 1.00 0.00 H new ATOM 622 N ASN A 37 6.195 3.813 10.305 1.00 0.00 N ATOM 623 CA ASN A 37 7.103 3.160 11.280 1.00 0.00 C ATOM 624 C ASN A 37 8.020 2.159 10.582 1.00 0.00 C ATOM 625 O ASN A 37 8.996 1.709 11.148 1.00 0.00 O ATOM 626 CB ASN A 37 6.250 2.415 12.318 1.00 0.00 C ATOM 627 CG ASN A 37 7.164 1.602 13.237 1.00 0.00 C ATOM 628 OD1 ASN A 37 7.550 0.414 12.857 1.00 0.00 O flip ATOM 629 ND2 ASN A 37 7.533 2.039 14.309 1.00 0.00 N flip ATOM 0 H ASN A 37 5.273 3.389 10.207 1.00 0.00 H new ATOM 0 HA ASN A 37 7.719 3.922 11.757 1.00 0.00 H new ATOM 0 HB2 ASN A 37 5.667 3.126 12.903 1.00 0.00 H new ATOM 0 HB3 ASN A 37 5.541 1.756 11.817 1.00 0.00 H new ATOM 0 HD21 ASN A 37 7.235 2.966 14.612 1.00 0.00 H new ATOM 0 HD22 ASN A 37 8.141 1.478 14.906 1.00 0.00 H new ATOM 636 N SER A 38 7.692 1.832 9.361 1.00 0.00 N ATOM 637 CA SER A 38 8.536 0.863 8.615 1.00 0.00 C ATOM 638 C SER A 38 8.047 0.711 7.181 1.00 0.00 C ATOM 639 O SER A 38 8.813 0.403 6.288 1.00 0.00 O ATOM 640 CB SER A 38 8.444 -0.504 9.320 1.00 0.00 C ATOM 641 OG SER A 38 9.792 -0.833 9.630 1.00 0.00 O ATOM 0 H SER A 38 6.883 2.192 8.854 1.00 0.00 H new ATOM 0 HA SER A 38 9.564 1.226 8.596 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.832 -0.447 10.220 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.990 -1.255 8.673 1.00 0.00 H new ATOM 0 HG SER A 38 10.145 -0.189 10.279 1.00 0.00 H new ATOM 647 N GLY A 39 6.778 0.934 6.985 1.00 0.00 N ATOM 648 CA GLY A 39 6.210 0.808 5.614 1.00 0.00 C ATOM 649 C GLY A 39 4.743 0.389 5.695 1.00 0.00 C ATOM 650 O GLY A 39 4.193 -0.137 4.748 1.00 0.00 O ATOM 0 H GLY A 39 6.112 1.197 7.711 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.297 1.758 5.086 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.776 0.072 5.043 1.00 0.00 H new ATOM 654 N ARG A 40 4.143 0.641 6.838 1.00 0.00 N ATOM 655 CA ARG A 40 2.710 0.272 7.029 1.00 0.00 C ATOM 656 C ARG A 40 1.886 1.491 7.440 1.00 0.00 C ATOM 657 O ARG A 40 0.695 1.393 7.667 1.00 0.00 O ATOM 658 CB ARG A 40 2.637 -0.779 8.151 1.00 0.00 C ATOM 659 CG ARG A 40 3.324 -0.219 9.407 1.00 0.00 C ATOM 660 CD ARG A 40 3.387 -1.302 10.491 1.00 0.00 C ATOM 661 NE ARG A 40 4.783 -1.380 11.009 1.00 0.00 N ATOM 662 CZ ARG A 40 5.134 -2.386 11.759 1.00 0.00 C ATOM 663 NH1 ARG A 40 4.934 -2.310 13.046 1.00 0.00 N ATOM 664 NH2 ARG A 40 5.677 -3.432 11.199 1.00 0.00 N ATOM 0 H ARG A 40 4.587 1.085 7.642 1.00 0.00 H new ATOM 0 HA ARG A 40 2.308 -0.118 6.094 1.00 0.00 H new ATOM 0 HB2 ARG A 40 1.598 -1.026 8.369 1.00 0.00 H new ATOM 0 HB3 ARG A 40 3.124 -1.701 7.835 1.00 0.00 H new ATOM 0 HG2 ARG A 40 4.330 0.121 9.161 1.00 0.00 H new ATOM 0 HG3 ARG A 40 2.776 0.647 9.777 1.00 0.00 H new ATOM 0 HD2 ARG A 40 2.696 -1.067 11.301 1.00 0.00 H new ATOM 0 HD3 ARG A 40 3.082 -2.265 10.081 1.00 0.00 H new ATOM 0 HE ARG A 40 5.458 -0.651 10.778 1.00 0.00 H new ATOM 0 HH11 ARG A 40 4.510 -1.474 13.448 1.00 0.00 H new ATOM 0 HH12 ARG A 40 5.202 -3.087 13.650 1.00 0.00 H new ATOM 0 HH21 ARG A 40 5.821 -3.453 10.189 1.00 0.00 H new ATOM 0 HH22 ARG A 40 5.958 -4.229 11.771 1.00 0.00 H new ATOM 678 N ALA A 41 2.538 2.619 7.529 1.00 0.00 N ATOM 679 CA ALA A 41 1.818 3.858 7.925 1.00 0.00 C ATOM 680 C ALA A 41 1.187 3.713 9.304 1.00 0.00 C ATOM 681 O ALA A 41 0.130 3.134 9.451 1.00 0.00 O ATOM 682 CB ALA A 41 0.706 4.130 6.902 1.00 0.00 C ATOM 0 H ALA A 41 3.535 2.734 7.345 1.00 0.00 H new ATOM 0 HA ALA A 41 2.533 4.680 7.955 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.169 5.037 7.181 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.145 4.258 5.913 1.00 0.00 H new ATOM 0 HB3 ALA A 41 0.013 3.289 6.886 1.00 0.00 H new ATOM 688 N GLN A 42 1.853 4.245 10.290 1.00 0.00 N ATOM 689 CA GLN A 42 1.324 4.160 11.671 1.00 0.00 C ATOM 690 C GLN A 42 0.516 5.414 11.985 1.00 0.00 C ATOM 691 O GLN A 42 1.067 6.492 12.031 1.00 0.00 O ATOM 692 CB GLN A 42 2.530 4.081 12.618 1.00 0.00 C ATOM 693 CG GLN A 42 2.256 3.044 13.702 1.00 0.00 C ATOM 694 CD GLN A 42 1.035 3.472 14.516 1.00 0.00 C ATOM 695 OE1 GLN A 42 -0.045 3.651 13.989 1.00 0.00 O ATOM 696 NE2 GLN A 42 1.161 3.646 15.803 1.00 0.00 N ATOM 0 H GLN A 42 2.742 4.735 10.195 1.00 0.00 H new ATOM 0 HA GLN A 42 0.680 3.288 11.786 1.00 0.00 H new ATOM 0 HB2 GLN A 42 3.427 3.812 12.060 1.00 0.00 H new ATOM 0 HB3 GLN A 42 2.716 5.055 13.070 1.00 0.00 H new ATOM 0 HG2 GLN A 42 2.082 2.067 13.251 1.00 0.00 H new ATOM 0 HG3 GLN A 42 3.124 2.944 14.353 1.00 0.00 H new ATOM 0 HE21 GLN A 42 2.065 3.497 16.252 1.00 0.00 H new ATOM 0 HE22 GLN A 42 0.356 3.931 16.360 1.00 0.00 H new ATOM 705 N CYS A 43 -0.783 5.255 12.209 1.00 0.00 N ATOM 706 CA CYS A 43 -1.616 6.459 12.513 1.00 0.00 C ATOM 707 C CYS A 43 -2.304 6.420 13.856 1.00 0.00 C ATOM 708 O CYS A 43 -2.632 5.378 14.386 1.00 0.00 O ATOM 709 CB CYS A 43 -2.706 6.593 11.443 1.00 0.00 C ATOM 710 SG CYS A 43 -2.214 6.467 9.700 1.00 0.00 S ATOM 0 H CYS A 43 -1.281 4.365 12.193 1.00 0.00 H new ATOM 0 HA CYS A 43 -0.925 7.302 12.526 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -3.457 5.826 11.634 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -3.194 7.558 11.583 1.00 0.00 H new ATOM 715 N HIS A 44 -2.500 7.601 14.368 1.00 0.00 N ATOM 716 CA HIS A 44 -3.165 7.771 15.675 1.00 0.00 C ATOM 717 C HIS A 44 -3.860 9.119 15.668 1.00 0.00 C ATOM 718 O HIS A 44 -3.723 9.860 14.712 1.00 0.00 O ATOM 719 CB HIS A 44 -2.130 7.690 16.830 1.00 0.00 C ATOM 720 CG HIS A 44 -1.085 8.788 16.731 1.00 0.00 C ATOM 721 ND1 HIS A 44 0.076 8.627 16.299 1.00 0.00 N ATOM 722 CD2 HIS A 44 -1.144 10.094 17.154 1.00 0.00 C ATOM 723 CE1 HIS A 44 0.763 9.684 16.407 1.00 0.00 C ATOM 724 NE2 HIS A 44 0.067 10.687 16.947 1.00 0.00 N ATOM 0 H HIS A 44 -2.218 8.473 13.920 1.00 0.00 H new ATOM 0 HA HIS A 44 -3.892 6.975 15.836 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -2.647 7.766 17.787 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -1.638 6.718 16.809 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -2.011 10.575 17.582 1.00 0.00 H new ATOM 0 HE1 HIS A 44 1.795 9.765 16.098 1.00 0.00 H new ATOM 0 HE2 HIS A 44 0.362 11.642 17.151 1.00 0.00 H new ATOM 732 N SER A 45 -4.598 9.426 16.701 1.00 0.00 N ATOM 733 CA SER A 45 -5.297 10.746 16.711 1.00 0.00 C ATOM 734 C SER A 45 -5.190 11.469 18.047 1.00 0.00 C ATOM 735 O SER A 45 -5.645 10.983 19.064 1.00 0.00 O ATOM 736 CB SER A 45 -6.779 10.487 16.413 1.00 0.00 C ATOM 737 OG SER A 45 -7.003 11.145 15.175 1.00 0.00 O ATOM 0 H SER A 45 -4.746 8.837 17.520 1.00 0.00 H new ATOM 0 HA SER A 45 -4.824 11.384 15.964 1.00 0.00 H new ATOM 0 HB2 SER A 45 -6.991 9.420 16.342 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.420 10.887 17.199 1.00 0.00 H new ATOM 0 HG SER A 45 -7.938 11.027 14.906 1.00 0.00 H new ATOM 743 N VAL A 46 -4.579 12.635 18.001 1.00 0.00 N ATOM 744 CA VAL A 46 -4.410 13.449 19.226 1.00 0.00 C ATOM 745 C VAL A 46 -5.089 14.826 19.015 1.00 0.00 C ATOM 746 O VAL A 46 -5.047 15.356 17.923 1.00 0.00 O ATOM 747 CB VAL A 46 -2.909 13.686 19.441 1.00 0.00 C ATOM 748 CG1 VAL A 46 -2.304 12.488 20.175 1.00 0.00 C ATOM 749 CG2 VAL A 46 -2.224 13.851 18.081 1.00 0.00 C ATOM 0 H VAL A 46 -4.191 13.050 17.154 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.852 12.937 20.081 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.762 14.587 20.036 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.238 12.656 20.328 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.795 12.367 21.141 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.448 11.586 19.580 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.157 14.020 18.229 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.370 12.948 17.488 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.657 14.703 17.557 1.00 0.00 H new ATOM 759 N PRO A 47 -5.706 15.396 20.054 1.00 0.00 N ATOM 760 CA PRO A 47 -6.361 16.696 19.907 1.00 0.00 C ATOM 761 C PRO A 47 -5.379 17.761 19.442 1.00 0.00 C ATOM 762 O PRO A 47 -4.208 17.493 19.256 1.00 0.00 O ATOM 763 CB PRO A 47 -6.867 17.053 21.316 1.00 0.00 C ATOM 764 CG PRO A 47 -6.458 15.891 22.266 1.00 0.00 C ATOM 765 CD PRO A 47 -5.781 14.812 21.404 1.00 0.00 C ATOM 0 HA PRO A 47 -7.159 16.651 19.166 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -6.433 17.995 21.652 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -7.949 17.184 21.313 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.778 16.248 23.039 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -7.332 15.484 22.774 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -4.789 14.568 21.784 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -6.359 13.888 21.403 1.00 0.00 H new ATOM 773 N VAL A 48 -5.874 18.953 19.257 1.00 0.00 N ATOM 774 CA VAL A 48 -4.985 20.047 18.806 1.00 0.00 C ATOM 775 C VAL A 48 -4.302 20.716 19.991 1.00 0.00 C ATOM 776 O VAL A 48 -3.209 21.235 19.872 1.00 0.00 O ATOM 777 CB VAL A 48 -5.848 21.087 18.068 1.00 0.00 C ATOM 778 CG1 VAL A 48 -6.836 21.735 19.056 1.00 0.00 C ATOM 779 CG2 VAL A 48 -4.941 22.170 17.457 1.00 0.00 C ATOM 0 H VAL A 48 -6.851 19.211 19.399 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.213 19.640 18.152 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.407 20.594 17.273 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.446 22.471 18.531 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.481 20.967 19.482 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.281 22.227 19.855 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.553 22.905 16.935 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.378 22.663 18.250 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.248 21.709 16.753 1.00 0.00 H new ATOM 789 N LYS A 49 -4.963 20.692 21.118 1.00 0.00 N ATOM 790 CA LYS A 49 -4.373 21.320 22.326 1.00 0.00 C ATOM 791 C LYS A 49 -3.023 20.691 22.663 1.00 0.00 C ATOM 792 O LYS A 49 -2.934 19.506 22.919 1.00 0.00 O ATOM 793 CB LYS A 49 -5.334 21.091 23.506 1.00 0.00 C ATOM 794 CG LYS A 49 -6.202 22.341 23.708 1.00 0.00 C ATOM 795 CD LYS A 49 -5.352 23.467 24.314 1.00 0.00 C ATOM 796 CE LYS A 49 -5.508 24.722 23.457 1.00 0.00 C ATOM 797 NZ LYS A 49 -6.934 25.154 23.419 1.00 0.00 N ATOM 0 H LYS A 49 -5.880 20.266 21.250 1.00 0.00 H new ATOM 0 HA LYS A 49 -4.224 22.383 22.139 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -5.965 20.224 23.312 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.769 20.877 24.413 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -6.622 22.662 22.755 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -7.041 22.111 24.365 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -5.668 23.668 25.338 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -4.305 23.167 24.356 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -4.890 25.524 23.860 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -5.154 24.525 22.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -6.981 26.182 23.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.423 24.670 22.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.394 24.912 24.320 1.00 0.00 H new ATOM 811 N SER A 50 -1.997 21.501 22.660 1.00 0.00 N ATOM 812 CA SER A 50 -0.646 20.974 22.977 1.00 0.00 C ATOM 813 C SER A 50 -0.306 21.208 24.444 1.00 0.00 C ATOM 814 O SER A 50 0.746 20.736 24.838 1.00 0.00 O ATOM 815 CB SER A 50 0.379 21.720 22.107 1.00 0.00 C ATOM 816 OG SER A 50 0.945 22.681 22.986 1.00 0.00 O ATOM 817 OXT SER A 50 -1.119 21.850 25.092 1.00 0.00 O ATOM 0 H SER A 50 -2.040 22.499 22.452 1.00 0.00 H new ATOM 0 HA SER A 50 -0.624 19.902 22.779 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.138 21.042 21.715 1.00 0.00 H new ATOM 0 HB3 SER A 50 -0.097 22.196 21.249 1.00 0.00 H new ATOM 0 HG SER A 50 1.619 23.206 22.506 1.00 0.00 H new TER 823 SER A 50