USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 390 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: P 55 SER OG : rot 180:sc= 0 USER MOD Set 1.2: P 56 SER OG : rot 180:sc= 0 USER MOD Set 2.1: P 29 ASN : amide:sc= -6.38! C(o=-11!,f=-13!) USER MOD Set 2.2: P 52 ASN :FLIP amide:sc= -4.6! C(o=-12!,f=-11!) USER MOD Set 3.1: P 12 CYS SG : rot 164:sc= -5.88! USER MOD Set 3.2: P 15 CYS SG : rot -90:sc= -7.14! USER MOD Set 3.3: P 22 CYS SG : rot 107:sc= -5.35! USER MOD Set 3.4: P 39 CYS SG : rot -161:sc= -0.599! USER MOD Set 3.5: P 41 ASN :FLIP amide:sc= -20.4! C(o=-53!,f=-51!) USER MOD Set 3.6: P 42 CYS SG : rot -11:sc= -7.96! USER MOD Set 3.7: P 49 CYS SG : rot -147:sc= -3.97! USER MOD Single : P 8 GLN : amide:sc= -0.174 X(o=-0.17,f=-0.021) USER MOD Single : P 9 ASN :FLIP amide:sc= -0.382 F(o=-0.95,f=-0.38) USER MOD Single : P 10 HIS : no HD1:sc= -18.4! C(o=-18!,f=-20!) USER MOD Single : P 11 SER OG : rot 180:sc= 0.0239 USER MOD Single : P 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 27 ASN : amide:sc= -3.25! C(o=-3.2!,f=-6!) USER MOD Single : P 32 ASN : amide:sc= -9.07! C(o=-9.1!,f=-9.4!) USER MOD Single : P 34 ASN :FLIP amide:sc= -1.99! C(o=-4!,f=-2!) USER MOD Single : P 38 SER OG : rot -160:sc= -3.42! USER MOD Single : P 40 SER OG : rot 180:sc= 0 USER MOD Single : P 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 46 ASN : amide:sc= 0 X(o=0,f=0.015) USER MOD Single : P 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 50 THR OG1 : rot 141:sc= 1.42 USER MOD Single : P 57 GLN : amide:sc= -0.607 X(o=-0.61,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 733 N ARG P 6 -14.378 23.643 -7.978 1.00 0.00 N ATOM 734 CA ARG P 6 -13.335 24.656 -8.110 1.00 0.00 C ATOM 735 C ARG P 6 -13.207 25.431 -6.805 1.00 0.00 C ATOM 736 O ARG P 6 -14.204 25.931 -6.285 1.00 0.00 O ATOM 737 CB ARG P 6 -13.713 25.641 -9.213 1.00 0.00 C ATOM 738 CG ARG P 6 -14.158 24.869 -10.446 1.00 0.00 C ATOM 739 CD ARG P 6 -12.929 24.291 -11.133 1.00 0.00 C ATOM 740 NE ARG P 6 -13.097 24.365 -12.570 1.00 0.00 N ATOM 741 CZ ARG P 6 -12.745 25.457 -13.245 1.00 0.00 C ATOM 742 NH1 ARG P 6 -12.258 26.490 -12.611 1.00 0.00 N ATOM 743 NH2 ARG P 6 -12.895 25.509 -14.540 1.00 0.00 N ATOM 0 HA ARG P 6 -12.393 24.162 -8.351 1.00 0.00 H new ATOM 0 HB2 ARG P 6 -14.514 26.297 -8.872 1.00 0.00 H new ATOM 0 HB3 ARG P 6 -12.862 26.277 -9.456 1.00 0.00 H new ATOM 0 HG2 ARG P 6 -14.843 24.070 -10.164 1.00 0.00 H new ATOM 0 HG3 ARG P 6 -14.698 25.526 -11.128 1.00 0.00 H new ATOM 0 HD2 ARG P 6 -12.038 24.842 -10.832 1.00 0.00 H new ATOM 0 HD3 ARG P 6 -12.782 23.255 -10.827 1.00 0.00 H new ATOM 0 HE ARG P 6 -13.491 23.569 -13.072 1.00 0.00 H new ATOM 0 HH11 ARG P 6 -12.147 26.461 -11.597 1.00 0.00 H new ATOM 0 HH12 ARG P 6 -11.989 27.326 -13.129 1.00 0.00 H new ATOM 0 HH21 ARG P 6 -13.284 24.710 -15.041 1.00 0.00 H new ATOM 0 HH22 ARG P 6 -12.623 26.349 -15.052 1.00 0.00 H new ATOM 757 N ARG P 7 -12.000 25.542 -6.265 1.00 0.00 N ATOM 758 CA ARG P 7 -11.857 26.273 -5.018 1.00 0.00 C ATOM 759 C ARG P 7 -10.430 26.288 -4.458 1.00 0.00 C ATOM 760 O ARG P 7 -10.174 27.000 -3.488 1.00 0.00 O ATOM 761 CB ARG P 7 -12.753 25.624 -3.967 1.00 0.00 C ATOM 762 CG ARG P 7 -12.135 24.288 -3.550 1.00 0.00 C ATOM 763 CD ARG P 7 -13.121 23.521 -2.668 1.00 0.00 C ATOM 764 NE ARG P 7 -12.676 23.559 -1.284 1.00 0.00 N ATOM 765 CZ ARG P 7 -13.379 22.977 -0.324 1.00 0.00 C ATOM 766 NH1 ARG P 7 -14.491 22.358 -0.614 1.00 0.00 N ATOM 767 NH2 ARG P 7 -12.960 23.023 0.911 1.00 0.00 N ATOM 0 H ARG P 7 -11.140 25.153 -6.652 1.00 0.00 H new ATOM 0 HA ARG P 7 -12.132 27.305 -5.238 1.00 0.00 H new ATOM 0 HB2 ARG P 7 -12.855 26.279 -3.102 1.00 0.00 H new ATOM 0 HB3 ARG P 7 -13.754 25.468 -4.369 1.00 0.00 H new ATOM 0 HG2 ARG P 7 -11.887 23.699 -4.433 1.00 0.00 H new ATOM 0 HG3 ARG P 7 -11.204 24.459 -3.009 1.00 0.00 H new ATOM 0 HD2 ARG P 7 -14.115 23.959 -2.752 1.00 0.00 H new ATOM 0 HD3 ARG P 7 -13.198 22.488 -3.007 1.00 0.00 H new ATOM 0 HE ARG P 7 -11.809 24.042 -1.049 1.00 0.00 H new ATOM 0 HH11 ARG P 7 -14.818 22.323 -1.579 1.00 0.00 H new ATOM 0 HH12 ARG P 7 -15.033 21.910 0.125 1.00 0.00 H new ATOM 0 HH21 ARG P 7 -12.091 23.507 1.137 1.00 0.00 H new ATOM 0 HH22 ARG P 7 -13.501 22.575 1.650 1.00 0.00 H new ATOM 781 N GLN P 8 -9.499 25.504 -4.994 1.00 0.00 N ATOM 782 CA GLN P 8 -8.179 25.520 -4.391 1.00 0.00 C ATOM 783 C GLN P 8 -7.043 25.813 -5.389 1.00 0.00 C ATOM 784 O GLN P 8 -7.232 26.469 -6.412 1.00 0.00 O ATOM 785 CB GLN P 8 -7.947 24.191 -3.664 1.00 0.00 C ATOM 786 CG GLN P 8 -8.207 24.373 -2.168 1.00 0.00 C ATOM 787 CD GLN P 8 -8.399 23.003 -1.515 1.00 0.00 C ATOM 788 OE1 GLN P 8 -7.712 22.665 -0.553 1.00 0.00 O ATOM 789 NE2 GLN P 8 -9.304 22.191 -1.989 1.00 0.00 N ATOM 0 H GLN P 8 -9.623 24.886 -5.796 1.00 0.00 H new ATOM 0 HA GLN P 8 -8.154 26.348 -3.682 1.00 0.00 H new ATOM 0 HB2 GLN P 8 -8.608 23.424 -4.068 1.00 0.00 H new ATOM 0 HB3 GLN P 8 -6.925 23.849 -3.827 1.00 0.00 H new ATOM 0 HG2 GLN P 8 -7.371 24.896 -1.703 1.00 0.00 H new ATOM 0 HG3 GLN P 8 -9.093 24.989 -2.014 1.00 0.00 H new ATOM 0 HE21 GLN P 8 -9.874 22.472 -2.787 1.00 0.00 H new ATOM 0 HE22 GLN P 8 -9.442 21.275 -1.561 1.00 0.00 H new ATOM 798 N ASN P 9 -5.857 25.346 -5.028 1.00 0.00 N ATOM 799 CA ASN P 9 -4.636 25.552 -5.798 1.00 0.00 C ATOM 800 C ASN P 9 -4.775 25.306 -7.301 1.00 0.00 C ATOM 801 O ASN P 9 -3.858 25.622 -8.057 1.00 0.00 O ATOM 802 CB ASN P 9 -3.568 24.596 -5.269 1.00 0.00 C ATOM 803 CG ASN P 9 -4.221 23.290 -4.792 1.00 0.00 C ATOM 804 OD1 ASN P 9 -4.959 22.577 -5.612 1.00 0.00 O flip ATOM 805 ND2 ASN P 9 -4.059 22.904 -3.634 1.00 0.00 N flip ATOM 0 H ASN P 9 -5.712 24.803 -4.177 1.00 0.00 H new ATOM 0 HA ASN P 9 -4.376 26.603 -5.675 1.00 0.00 H new ATOM 0 HB2 ASN P 9 -2.839 24.383 -6.051 1.00 0.00 H new ATOM 0 HB3 ASN P 9 -3.026 25.063 -4.447 1.00 0.00 H new ATOM 0 HD21 ASN P 9 -3.488 23.450 -2.989 1.00 0.00 H new ATOM 0 HD22 ASN P 9 -4.496 22.038 -3.319 1.00 0.00 H new ATOM 812 N HIS P 10 -5.857 24.699 -7.743 1.00 0.00 N ATOM 813 CA HIS P 10 -5.978 24.397 -9.135 1.00 0.00 C ATOM 814 C HIS P 10 -5.159 23.132 -9.358 1.00 0.00 C ATOM 815 O HIS P 10 -4.275 22.820 -8.562 1.00 0.00 O ATOM 816 CB HIS P 10 -5.488 25.589 -9.974 1.00 0.00 C ATOM 817 CG HIS P 10 -4.226 25.253 -10.713 1.00 0.00 C ATOM 818 ND1 HIS P 10 -4.010 25.662 -12.022 1.00 0.00 N ATOM 819 CD2 HIS P 10 -3.101 24.575 -10.338 1.00 0.00 C ATOM 820 CE1 HIS P 10 -2.793 25.228 -12.389 1.00 0.00 C ATOM 821 NE2 HIS P 10 -2.194 24.557 -11.397 1.00 0.00 N ATOM 0 H HIS P 10 -6.646 24.414 -7.163 1.00 0.00 H new ATOM 0 HA HIS P 10 -7.009 24.226 -9.444 1.00 0.00 H new ATOM 0 HB2 HIS P 10 -6.262 25.879 -10.685 1.00 0.00 H new ATOM 0 HB3 HIS P 10 -5.314 26.447 -9.324 1.00 0.00 H new ATOM 0 HD2 HIS P 10 -2.939 24.123 -9.371 1.00 0.00 H new ATOM 0 HE1 HIS P 10 -2.353 25.399 -13.361 1.00 0.00 H new ATOM 0 HE2 HIS P 10 -1.270 24.125 -11.413 1.00 0.00 H new ATOM 830 N SER P 11 -5.475 22.370 -10.371 1.00 0.00 N ATOM 831 CA SER P 11 -4.769 21.122 -10.576 1.00 0.00 C ATOM 832 C SER P 11 -3.668 21.257 -11.633 1.00 0.00 C ATOM 833 O SER P 11 -3.823 21.986 -12.607 1.00 0.00 O ATOM 834 CB SER P 11 -5.793 20.075 -10.988 1.00 0.00 C ATOM 835 OG SER P 11 -7.098 20.609 -10.804 1.00 0.00 O ATOM 0 H SER P 11 -6.200 22.580 -11.057 1.00 0.00 H new ATOM 0 HA SER P 11 -4.271 20.827 -9.652 1.00 0.00 H new ATOM 0 HB2 SER P 11 -5.645 19.793 -12.030 1.00 0.00 H new ATOM 0 HB3 SER P 11 -5.668 19.171 -10.392 1.00 0.00 H new ATOM 0 HG SER P 11 -7.765 19.942 -11.069 1.00 0.00 H new ATOM 841 N CYS P 12 -2.552 20.549 -11.432 1.00 0.00 N ATOM 842 CA CYS P 12 -1.451 20.618 -12.386 1.00 0.00 C ATOM 843 C CYS P 12 -1.934 20.091 -13.734 1.00 0.00 C ATOM 844 O CYS P 12 -3.001 19.465 -13.817 1.00 0.00 O ATOM 845 CB CYS P 12 -0.226 19.820 -11.896 1.00 0.00 C ATOM 846 SG CYS P 12 -0.606 18.063 -11.798 1.00 0.00 S ATOM 0 H CYS P 12 -2.392 19.935 -10.633 1.00 0.00 H new ATOM 0 HA CYS P 12 -1.135 21.656 -12.487 1.00 0.00 H new ATOM 0 HB2 CYS P 12 0.612 19.978 -12.575 1.00 0.00 H new ATOM 0 HB3 CYS P 12 0.084 20.185 -10.917 1.00 0.00 H new ATOM 0 HG CYS P 12 0.500 17.384 -11.719 1.00 0.00 H new ATOM 851 N ASP P 13 -1.188 20.379 -14.796 1.00 0.00 N ATOM 852 CA ASP P 13 -1.640 19.952 -16.128 1.00 0.00 C ATOM 853 C ASP P 13 -2.192 18.521 -16.137 1.00 0.00 C ATOM 854 O ASP P 13 -3.301 18.267 -16.620 1.00 0.00 O ATOM 855 CB ASP P 13 -0.521 20.037 -17.157 1.00 0.00 C ATOM 856 CG ASP P 13 -1.147 20.191 -18.543 1.00 0.00 C ATOM 857 OD1 ASP P 13 -1.617 19.197 -19.072 1.00 0.00 O ATOM 858 OD2 ASP P 13 -1.145 21.298 -19.053 1.00 0.00 O ATOM 0 H ASP P 13 -0.303 20.885 -14.773 1.00 0.00 H new ATOM 0 HA ASP P 13 -2.442 20.641 -16.392 1.00 0.00 H new ATOM 0 HB2 ASP P 13 0.130 20.884 -16.939 1.00 0.00 H new ATOM 0 HB3 ASP P 13 0.098 19.141 -17.118 1.00 0.00 H new ATOM 863 N PRO P 14 -1.421 17.562 -15.622 1.00 0.00 N ATOM 864 CA PRO P 14 -1.822 16.148 -15.602 1.00 0.00 C ATOM 865 C PRO P 14 -2.955 15.879 -14.614 1.00 0.00 C ATOM 866 O PRO P 14 -3.740 14.941 -14.776 1.00 0.00 O ATOM 867 CB PRO P 14 -0.522 15.422 -15.245 1.00 0.00 C ATOM 868 CG PRO P 14 0.286 16.442 -14.456 1.00 0.00 C ATOM 869 CD PRO P 14 -0.118 17.817 -14.986 1.00 0.00 C ATOM 0 HA PRO P 14 -2.238 15.807 -16.550 1.00 0.00 H new ATOM 0 HB2 PRO P 14 -0.717 14.528 -14.653 1.00 0.00 H new ATOM 0 HB3 PRO P 14 0.011 15.101 -16.140 1.00 0.00 H new ATOM 0 HG2 PRO P 14 0.078 16.361 -13.389 1.00 0.00 H new ATOM 0 HG3 PRO P 14 1.355 16.275 -14.586 1.00 0.00 H new ATOM 0 HD2 PRO P 14 -0.198 18.550 -14.184 1.00 0.00 H new ATOM 0 HD3 PRO P 14 0.610 18.203 -15.700 1.00 0.00 H new ATOM 877 N CYS P 15 -3.058 16.730 -13.617 1.00 0.00 N ATOM 878 CA CYS P 15 -4.118 16.599 -12.630 1.00 0.00 C ATOM 879 C CYS P 15 -5.478 16.857 -13.252 1.00 0.00 C ATOM 880 O CYS P 15 -6.333 15.974 -13.334 1.00 0.00 O ATOM 881 CB CYS P 15 -3.950 17.647 -11.559 1.00 0.00 C ATOM 882 SG CYS P 15 -3.703 16.874 -9.958 1.00 0.00 S ATOM 0 H CYS P 15 -2.427 17.517 -13.465 1.00 0.00 H new ATOM 0 HA CYS P 15 -4.059 15.587 -12.229 1.00 0.00 H new ATOM 0 HB2 CYS P 15 -3.099 18.285 -11.797 1.00 0.00 H new ATOM 0 HB3 CYS P 15 -4.831 18.288 -11.528 1.00 0.00 H new ATOM 0 HG CYS P 15 -4.854 16.694 -9.381 1.00 0.00 H new ATOM 887 N ARG P 16 -5.678 18.102 -13.653 1.00 0.00 N ATOM 888 CA ARG P 16 -6.947 18.493 -14.229 1.00 0.00 C ATOM 889 C ARG P 16 -7.284 17.606 -15.429 1.00 0.00 C ATOM 890 O ARG P 16 -8.453 17.411 -15.758 1.00 0.00 O ATOM 891 CB ARG P 16 -6.908 19.968 -14.642 1.00 0.00 C ATOM 892 CG ARG P 16 -5.999 20.144 -15.852 1.00 0.00 C ATOM 893 CD ARG P 16 -4.855 21.096 -15.511 1.00 0.00 C ATOM 894 NE ARG P 16 -5.371 22.423 -15.217 1.00 0.00 N ATOM 895 CZ ARG P 16 -4.559 23.372 -14.757 1.00 0.00 C ATOM 896 NH1 ARG P 16 -3.292 23.104 -14.592 1.00 0.00 N ATOM 897 NH2 ARG P 16 -5.011 24.567 -14.472 1.00 0.00 N ATOM 0 H ARG P 16 -4.986 18.848 -13.590 1.00 0.00 H new ATOM 0 HA ARG P 16 -7.727 18.364 -13.479 1.00 0.00 H new ATOM 0 HB2 ARG P 16 -7.914 20.315 -14.878 1.00 0.00 H new ATOM 0 HB3 ARG P 16 -6.547 20.577 -13.813 1.00 0.00 H new ATOM 0 HG2 ARG P 16 -5.600 19.178 -16.161 1.00 0.00 H new ATOM 0 HG3 ARG P 16 -6.571 20.536 -16.693 1.00 0.00 H new ATOM 0 HD2 ARG P 16 -4.301 20.716 -14.653 1.00 0.00 H new ATOM 0 HD3 ARG P 16 -4.155 21.147 -16.345 1.00 0.00 H new ATOM 0 HE ARG P 16 -6.359 22.628 -15.364 1.00 0.00 H new ATOM 0 HH11 ARG P 16 -2.934 22.175 -14.815 1.00 0.00 H new ATOM 0 HH12 ARG P 16 -2.660 23.823 -14.240 1.00 0.00 H new ATOM 0 HH21 ARG P 16 -5.999 24.783 -14.602 1.00 0.00 H new ATOM 0 HH22 ARG P 16 -4.375 25.282 -14.120 1.00 0.00 H new ATOM 911 N LYS P 17 -6.257 17.062 -16.073 1.00 0.00 N ATOM 912 CA LYS P 17 -6.474 16.194 -17.225 1.00 0.00 C ATOM 913 C LYS P 17 -6.848 14.765 -16.794 1.00 0.00 C ATOM 914 O LYS P 17 -7.511 14.040 -17.534 1.00 0.00 O ATOM 915 CB LYS P 17 -5.202 16.141 -18.070 1.00 0.00 C ATOM 916 CG LYS P 17 -5.332 17.105 -19.248 1.00 0.00 C ATOM 917 CD LYS P 17 -5.628 16.316 -20.525 1.00 0.00 C ATOM 918 CE LYS P 17 -6.894 15.480 -20.326 1.00 0.00 C ATOM 919 NZ LYS P 17 -7.346 14.940 -21.640 1.00 0.00 N ATOM 0 H LYS P 17 -5.279 17.204 -15.822 1.00 0.00 H new ATOM 0 HA LYS P 17 -7.301 16.606 -17.804 1.00 0.00 H new ATOM 0 HB2 LYS P 17 -4.337 16.408 -17.462 1.00 0.00 H new ATOM 0 HB3 LYS P 17 -5.036 15.127 -18.433 1.00 0.00 H new ATOM 0 HG2 LYS P 17 -6.131 17.822 -19.058 1.00 0.00 H new ATOM 0 HG3 LYS P 17 -4.412 17.677 -19.367 1.00 0.00 H new ATOM 0 HD2 LYS P 17 -5.758 16.998 -21.365 1.00 0.00 H new ATOM 0 HD3 LYS P 17 -4.786 15.668 -20.768 1.00 0.00 H new ATOM 0 HE2 LYS P 17 -6.697 14.662 -19.633 1.00 0.00 H new ATOM 0 HE3 LYS P 17 -7.680 16.091 -19.882 1.00 0.00 H new ATOM 0 HZ1 LYS P 17 -8.206 14.372 -21.504 1.00 0.00 H new ATOM 0 HZ2 LYS P 17 -7.550 15.728 -22.288 1.00 0.00 H new ATOM 0 HZ3 LYS P 17 -6.597 14.343 -22.046 1.00 0.00 H new ATOM 933 N GLY P 18 -6.417 14.362 -15.603 1.00 0.00 N ATOM 934 CA GLY P 18 -6.710 13.021 -15.107 1.00 0.00 C ATOM 935 C GLY P 18 -7.843 13.047 -14.089 1.00 0.00 C ATOM 936 O GLY P 18 -8.230 12.019 -13.549 1.00 0.00 O ATOM 0 H GLY P 18 -5.867 14.940 -14.967 1.00 0.00 H new ATOM 0 HA2 GLY P 18 -6.981 12.373 -15.941 1.00 0.00 H new ATOM 0 HA3 GLY P 18 -5.816 12.596 -14.650 1.00 0.00 H new ATOM 940 N LYS P 19 -8.365 14.228 -13.835 1.00 0.00 N ATOM 941 CA LYS P 19 -9.443 14.386 -12.895 1.00 0.00 C ATOM 942 C LYS P 19 -8.986 14.061 -11.491 1.00 0.00 C ATOM 943 O LYS P 19 -9.497 13.154 -10.848 1.00 0.00 O ATOM 944 CB LYS P 19 -10.586 13.473 -13.279 1.00 0.00 C ATOM 945 CG LYS P 19 -11.606 14.305 -14.029 1.00 0.00 C ATOM 946 CD LYS P 19 -12.803 13.432 -14.396 1.00 0.00 C ATOM 947 CE LYS P 19 -13.931 14.309 -14.935 1.00 0.00 C ATOM 948 NZ LYS P 19 -15.161 14.068 -14.134 1.00 0.00 N ATOM 0 H LYS P 19 -8.054 15.096 -14.272 1.00 0.00 H new ATOM 0 HA LYS P 19 -9.774 15.424 -12.919 1.00 0.00 H new ATOM 0 HB2 LYS P 19 -10.228 12.653 -13.902 1.00 0.00 H new ATOM 0 HB3 LYS P 19 -11.034 13.027 -12.391 1.00 0.00 H new ATOM 0 HG2 LYS P 19 -11.930 15.145 -13.414 1.00 0.00 H new ATOM 0 HG3 LYS P 19 -11.158 14.724 -14.930 1.00 0.00 H new ATOM 0 HD2 LYS P 19 -12.512 12.695 -15.145 1.00 0.00 H new ATOM 0 HD3 LYS P 19 -13.145 12.880 -13.521 1.00 0.00 H new ATOM 0 HE2 LYS P 19 -13.648 15.360 -14.882 1.00 0.00 H new ATOM 0 HE3 LYS P 19 -14.115 14.081 -15.985 1.00 0.00 H new ATOM 0 HZ1 LYS P 19 -15.933 14.663 -14.496 1.00 0.00 H new ATOM 0 HZ2 LYS P 19 -15.432 13.067 -14.207 1.00 0.00 H new ATOM 0 HZ3 LYS P 19 -14.979 14.306 -13.138 1.00 0.00 H new ATOM 962 N ARG P 20 -8.013 14.795 -11.014 1.00 0.00 N ATOM 963 CA ARG P 20 -7.524 14.547 -9.692 1.00 0.00 C ATOM 964 C ARG P 20 -7.057 15.833 -9.024 1.00 0.00 C ATOM 965 O ARG P 20 -6.393 16.665 -9.640 1.00 0.00 O ATOM 966 CB ARG P 20 -6.366 13.564 -9.769 1.00 0.00 C ATOM 967 CG ARG P 20 -6.196 12.864 -8.429 1.00 0.00 C ATOM 968 CD ARG P 20 -7.573 12.591 -7.836 1.00 0.00 C ATOM 969 NE ARG P 20 -7.455 11.660 -6.739 1.00 0.00 N ATOM 970 CZ ARG P 20 -6.817 11.991 -5.620 1.00 0.00 C ATOM 971 NH1 ARG P 20 -6.302 13.182 -5.486 1.00 0.00 N ATOM 972 NH2 ARG P 20 -6.720 11.132 -4.645 1.00 0.00 N ATOM 0 H ARG P 20 -7.554 15.555 -11.515 1.00 0.00 H new ATOM 0 HA ARG P 20 -8.335 14.132 -9.094 1.00 0.00 H new ATOM 0 HB2 ARG P 20 -6.552 12.829 -10.553 1.00 0.00 H new ATOM 0 HB3 ARG P 20 -5.448 14.089 -10.035 1.00 0.00 H new ATOM 0 HG2 ARG P 20 -5.649 11.930 -8.558 1.00 0.00 H new ATOM 0 HG3 ARG P 20 -5.610 13.485 -7.751 1.00 0.00 H new ATOM 0 HD2 ARG P 20 -8.021 13.522 -7.489 1.00 0.00 H new ATOM 0 HD3 ARG P 20 -8.235 12.185 -8.601 1.00 0.00 H new ATOM 0 HE ARG P 20 -7.868 10.731 -6.824 1.00 0.00 H new ATOM 0 HH11 ARG P 20 -6.388 13.863 -6.241 1.00 0.00 H new ATOM 0 HH12 ARG P 20 -5.813 13.433 -4.626 1.00 0.00 H new ATOM 0 HH21 ARG P 20 -7.134 10.204 -4.739 1.00 0.00 H new ATOM 0 HH22 ARG P 20 -6.230 11.387 -3.787 1.00 0.00 H new ATOM 986 N ARG P 21 -7.389 15.978 -7.754 1.00 0.00 N ATOM 987 CA ARG P 21 -6.980 17.148 -7.014 1.00 0.00 C ATOM 988 C ARG P 21 -5.460 17.238 -7.025 1.00 0.00 C ATOM 989 O ARG P 21 -4.779 16.284 -7.409 1.00 0.00 O ATOM 990 CB ARG P 21 -7.469 17.033 -5.579 1.00 0.00 C ATOM 991 CG ARG P 21 -7.078 15.665 -5.010 1.00 0.00 C ATOM 992 CD ARG P 21 -7.313 15.680 -3.505 1.00 0.00 C ATOM 993 NE ARG P 21 -7.620 17.042 -3.108 1.00 0.00 N ATOM 994 CZ ARG P 21 -6.731 17.808 -2.473 1.00 0.00 C ATOM 995 NH1 ARG P 21 -5.564 17.332 -2.123 1.00 0.00 N ATOM 996 NH2 ARG P 21 -7.022 19.052 -2.205 1.00 0.00 N ATOM 0 H ARG P 21 -7.937 15.303 -7.220 1.00 0.00 H new ATOM 0 HA ARG P 21 -7.405 18.041 -7.472 1.00 0.00 H new ATOM 0 HB2 ARG P 21 -7.036 17.828 -4.972 1.00 0.00 H new ATOM 0 HB3 ARG P 21 -8.551 17.158 -5.542 1.00 0.00 H new ATOM 0 HG2 ARG P 21 -7.669 14.878 -5.477 1.00 0.00 H new ATOM 0 HG3 ARG P 21 -6.032 15.450 -5.228 1.00 0.00 H new ATOM 0 HD2 ARG P 21 -8.134 15.013 -3.242 1.00 0.00 H new ATOM 0 HD3 ARG P 21 -6.429 15.321 -2.978 1.00 0.00 H new ATOM 0 HE ARG P 21 -8.541 17.424 -3.320 1.00 0.00 H new ATOM 0 HH11 ARG P 21 -5.324 16.364 -2.335 1.00 0.00 H new ATOM 0 HH12 ARG P 21 -4.894 17.929 -1.638 1.00 0.00 H new ATOM 0 HH21 ARG P 21 -7.926 19.435 -2.481 1.00 0.00 H new ATOM 0 HH22 ARG P 21 -6.345 19.641 -1.720 1.00 0.00 H new ATOM 1010 N CYS P 22 -4.923 18.383 -6.641 1.00 0.00 N ATOM 1011 CA CYS P 22 -3.484 18.544 -6.661 1.00 0.00 C ATOM 1012 C CYS P 22 -2.947 19.040 -5.325 1.00 0.00 C ATOM 1013 O CYS P 22 -3.639 19.722 -4.571 1.00 0.00 O ATOM 1014 CB CYS P 22 -3.167 19.528 -7.769 1.00 0.00 C ATOM 1015 SG CYS P 22 -1.432 19.493 -8.208 1.00 0.00 S ATOM 0 H CYS P 22 -5.449 19.196 -6.319 1.00 0.00 H new ATOM 0 HA CYS P 22 -3.003 17.582 -6.839 1.00 0.00 H new ATOM 0 HB2 CYS P 22 -3.769 19.294 -8.647 1.00 0.00 H new ATOM 0 HB3 CYS P 22 -3.442 20.534 -7.452 1.00 0.00 H new ATOM 0 HG CYS P 22 -1.287 18.906 -9.359 1.00 0.00 H new ATOM 1020 N ASP P 23 -1.694 18.709 -5.052 1.00 0.00 N ATOM 1021 CA ASP P 23 -1.059 19.137 -3.832 1.00 0.00 C ATOM 1022 C ASP P 23 -0.401 20.464 -4.117 1.00 0.00 C ATOM 1023 O ASP P 23 -0.428 21.396 -3.315 1.00 0.00 O ATOM 1024 CB ASP P 23 0.000 18.120 -3.422 1.00 0.00 C ATOM 1025 CG ASP P 23 -0.673 16.790 -3.082 1.00 0.00 C ATOM 1026 OD1 ASP P 23 -1.302 16.226 -3.963 1.00 0.00 O ATOM 1027 OD2 ASP P 23 -0.550 16.359 -1.947 1.00 0.00 O ATOM 0 H ASP P 23 -1.104 18.145 -5.664 1.00 0.00 H new ATOM 0 HA ASP P 23 -1.786 19.226 -3.024 1.00 0.00 H new ATOM 0 HB2 ASP P 23 0.717 17.980 -4.231 1.00 0.00 H new ATOM 0 HB3 ASP P 23 0.558 18.488 -2.561 1.00 0.00 H new ATOM 1032 N ALA P 24 0.161 20.532 -5.306 1.00 0.00 N ATOM 1033 CA ALA P 24 0.799 21.728 -5.764 1.00 0.00 C ATOM 1034 C ALA P 24 -0.131 22.907 -5.518 1.00 0.00 C ATOM 1035 O ALA P 24 -1.344 22.816 -5.702 1.00 0.00 O ATOM 1036 CB ALA P 24 1.091 21.607 -7.253 1.00 0.00 C ATOM 0 H ALA P 24 0.184 19.759 -5.972 1.00 0.00 H new ATOM 0 HA ALA P 24 1.735 21.880 -5.227 1.00 0.00 H new ATOM 0 HB1 ALA P 24 1.577 22.517 -7.604 1.00 0.00 H new ATOM 0 HB2 ALA P 24 1.748 20.755 -7.427 1.00 0.00 H new ATOM 0 HB3 ALA P 24 0.157 21.462 -7.796 1.00 0.00 H new ATOM 1042 N PRO P 25 0.433 24.019 -5.077 1.00 0.00 N ATOM 1043 CA PRO P 25 -0.312 25.232 -4.768 1.00 0.00 C ATOM 1044 C PRO P 25 -0.467 26.150 -5.982 1.00 0.00 C ATOM 1045 O PRO P 25 0.174 25.951 -7.012 1.00 0.00 O ATOM 1046 CB PRO P 25 0.551 25.879 -3.688 1.00 0.00 C ATOM 1047 CG PRO P 25 1.972 25.418 -4.003 1.00 0.00 C ATOM 1048 CD PRO P 25 1.868 24.149 -4.857 1.00 0.00 C ATOM 0 HA PRO P 25 -1.337 25.031 -4.455 1.00 0.00 H new ATOM 0 HB2 PRO P 25 0.472 26.966 -3.715 1.00 0.00 H new ATOM 0 HB3 PRO P 25 0.243 25.562 -2.692 1.00 0.00 H new ATOM 0 HG2 PRO P 25 2.517 26.196 -4.537 1.00 0.00 H new ATOM 0 HG3 PRO P 25 2.522 25.217 -3.084 1.00 0.00 H new ATOM 0 HD2 PRO P 25 2.413 24.248 -5.796 1.00 0.00 H new ATOM 0 HD3 PRO P 25 2.278 23.281 -4.341 1.00 0.00 H new ATOM 1056 N GLU P 26 -1.319 27.155 -5.852 1.00 0.00 N ATOM 1057 CA GLU P 26 -1.541 28.087 -6.942 1.00 0.00 C ATOM 1058 C GLU P 26 -0.205 28.557 -7.523 1.00 0.00 C ATOM 1059 O GLU P 26 -0.141 29.031 -8.656 1.00 0.00 O ATOM 1060 CB GLU P 26 -2.327 29.295 -6.432 1.00 0.00 C ATOM 1061 CG GLU P 26 -1.415 30.180 -5.581 1.00 0.00 C ATOM 1062 CD GLU P 26 -2.230 30.817 -4.454 1.00 0.00 C ATOM 1063 OE1 GLU P 26 -3.295 31.338 -4.742 1.00 0.00 O ATOM 1064 OE2 GLU P 26 -1.776 30.773 -3.323 1.00 0.00 O ATOM 0 H GLU P 26 -1.863 27.344 -5.010 1.00 0.00 H new ATOM 0 HA GLU P 26 -2.108 27.582 -7.724 1.00 0.00 H new ATOM 0 HB2 GLU P 26 -2.722 29.865 -7.273 1.00 0.00 H new ATOM 0 HB3 GLU P 26 -3.181 28.963 -5.842 1.00 0.00 H new ATOM 0 HG2 GLU P 26 -0.600 29.587 -5.165 1.00 0.00 H new ATOM 0 HG3 GLU P 26 -0.962 30.955 -6.199 1.00 0.00 H new ATOM 1071 N ASN P 27 0.859 28.420 -6.742 1.00 0.00 N ATOM 1072 CA ASN P 27 2.175 28.833 -7.197 1.00 0.00 C ATOM 1073 C ASN P 27 3.186 27.690 -7.056 1.00 0.00 C ATOM 1074 O ASN P 27 4.267 27.863 -6.487 1.00 0.00 O ATOM 1075 CB ASN P 27 2.652 30.031 -6.376 1.00 0.00 C ATOM 1076 CG ASN P 27 2.026 29.977 -4.985 1.00 0.00 C ATOM 1077 OD1 ASN P 27 1.068 30.694 -4.700 1.00 0.00 O ATOM 1078 ND2 ASN P 27 2.516 29.163 -4.097 1.00 0.00 N ATOM 0 H ASN P 27 0.835 28.030 -5.800 1.00 0.00 H new ATOM 0 HA ASN P 27 2.102 29.108 -8.249 1.00 0.00 H new ATOM 0 HB2 ASN P 27 3.739 30.022 -6.298 1.00 0.00 H new ATOM 0 HB3 ASN P 27 2.376 30.960 -6.875 1.00 0.00 H new ATOM 0 HD21 ASN P 27 2.106 29.119 -3.164 1.00 0.00 H new ATOM 0 HD22 ASN P 27 3.310 28.568 -4.333 1.00 0.00 H new ATOM 1085 N ARG P 28 2.846 26.522 -7.586 1.00 0.00 N ATOM 1086 CA ARG P 28 3.765 25.401 -7.506 1.00 0.00 C ATOM 1087 C ARG P 28 5.157 25.894 -7.865 1.00 0.00 C ATOM 1088 O ARG P 28 6.170 25.391 -7.389 1.00 0.00 O ATOM 1089 CB ARG P 28 3.346 24.289 -8.459 1.00 0.00 C ATOM 1090 CG ARG P 28 3.820 22.961 -7.881 1.00 0.00 C ATOM 1091 CD ARG P 28 3.661 21.861 -8.927 1.00 0.00 C ATOM 1092 NE ARG P 28 4.257 22.310 -10.168 1.00 0.00 N ATOM 1093 CZ ARG P 28 5.541 22.095 -10.450 1.00 0.00 C ATOM 1094 NH1 ARG P 28 6.270 21.337 -9.683 1.00 0.00 N ATOM 1095 NH2 ARG P 28 6.070 22.621 -11.521 1.00 0.00 N ATOM 0 H ARG P 28 1.965 26.331 -8.063 1.00 0.00 H new ATOM 0 HA ARG P 28 3.756 24.996 -6.494 1.00 0.00 H new ATOM 0 HB2 ARG P 28 2.263 24.284 -8.584 1.00 0.00 H new ATOM 0 HB3 ARG P 28 3.780 24.451 -9.446 1.00 0.00 H new ATOM 0 HG2 ARG P 28 4.863 23.038 -7.575 1.00 0.00 H new ATOM 0 HG3 ARG P 28 3.244 22.715 -6.989 1.00 0.00 H new ATOM 0 HD2 ARG P 28 4.142 20.944 -8.587 1.00 0.00 H new ATOM 0 HD3 ARG P 28 2.606 21.631 -9.076 1.00 0.00 H new ATOM 0 HE ARG P 28 3.677 22.805 -10.846 1.00 0.00 H new ATOM 0 HH11 ARG P 28 5.859 20.901 -8.857 1.00 0.00 H new ATOM 0 HH12 ARG P 28 7.252 21.179 -9.908 1.00 0.00 H new ATOM 0 HH21 ARG P 28 5.500 23.196 -12.141 1.00 0.00 H new ATOM 0 HH22 ARG P 28 7.053 22.457 -11.738 1.00 0.00 H new ATOM 1109 N ASN P 29 5.181 26.920 -8.681 1.00 0.00 N ATOM 1110 CA ASN P 29 6.439 27.532 -9.071 1.00 0.00 C ATOM 1111 C ASN P 29 7.132 28.011 -7.801 1.00 0.00 C ATOM 1112 O ASN P 29 8.237 27.581 -7.454 1.00 0.00 O ATOM 1113 CB ASN P 29 6.184 28.731 -9.987 1.00 0.00 C ATOM 1114 CG ASN P 29 5.844 28.239 -11.393 1.00 0.00 C ATOM 1115 OD1 ASN P 29 6.589 28.484 -12.340 1.00 0.00 O ATOM 1116 ND2 ASN P 29 4.752 27.555 -11.582 1.00 0.00 N ATOM 0 H ASN P 29 4.351 27.351 -9.089 1.00 0.00 H new ATOM 0 HA ASN P 29 7.055 26.811 -9.608 1.00 0.00 H new ATOM 0 HB2 ASN P 29 5.365 29.334 -9.594 1.00 0.00 H new ATOM 0 HB3 ASN P 29 7.065 29.372 -10.018 1.00 0.00 H new ATOM 0 HD21 ASN P 29 4.514 27.222 -12.516 1.00 0.00 H new ATOM 0 HD22 ASN P 29 4.135 27.352 -10.796 1.00 0.00 H new ATOM 1123 N GLU P 30 6.438 28.876 -7.082 1.00 0.00 N ATOM 1124 CA GLU P 30 6.949 29.379 -5.826 1.00 0.00 C ATOM 1125 C GLU P 30 7.137 28.209 -4.860 1.00 0.00 C ATOM 1126 O GLU P 30 7.772 28.345 -3.817 1.00 0.00 O ATOM 1127 CB GLU P 30 5.965 30.380 -5.220 1.00 0.00 C ATOM 1128 CG GLU P 30 6.541 30.930 -3.914 1.00 0.00 C ATOM 1129 CD GLU P 30 6.722 32.444 -4.032 1.00 0.00 C ATOM 1130 OE1 GLU P 30 5.720 33.136 -4.116 1.00 0.00 O ATOM 1131 OE2 GLU P 30 7.859 32.887 -4.035 1.00 0.00 O ATOM 0 H GLU P 30 5.523 29.241 -7.348 1.00 0.00 H new ATOM 0 HA GLU P 30 7.902 29.879 -6.000 1.00 0.00 H new ATOM 0 HB2 GLU P 30 5.780 31.194 -5.920 1.00 0.00 H new ATOM 0 HB3 GLU P 30 5.006 29.897 -5.033 1.00 0.00 H new ATOM 0 HG2 GLU P 30 5.874 30.697 -3.084 1.00 0.00 H new ATOM 0 HG3 GLU P 30 7.498 30.455 -3.698 1.00 0.00 H new ATOM 1138 N ALA P 31 6.597 27.049 -5.233 1.00 0.00 N ATOM 1139 CA ALA P 31 6.738 25.864 -4.409 1.00 0.00 C ATOM 1140 C ALA P 31 8.162 25.363 -4.542 1.00 0.00 C ATOM 1141 O ALA P 31 8.862 25.134 -3.561 1.00 0.00 O ATOM 1142 CB ALA P 31 5.785 24.768 -4.875 1.00 0.00 C ATOM 0 H ALA P 31 6.065 26.912 -6.092 1.00 0.00 H new ATOM 0 HA ALA P 31 6.504 26.114 -3.374 1.00 0.00 H new ATOM 0 HB1 ALA P 31 5.907 23.888 -4.244 1.00 0.00 H new ATOM 0 HB2 ALA P 31 4.758 25.125 -4.805 1.00 0.00 H new ATOM 0 HB3 ALA P 31 6.009 24.507 -5.909 1.00 0.00 H new ATOM 1148 N ASN P 32 8.595 25.228 -5.777 1.00 0.00 N ATOM 1149 CA ASN P 32 9.945 24.799 -6.028 1.00 0.00 C ATOM 1150 C ASN P 32 10.885 25.865 -5.482 1.00 0.00 C ATOM 1151 O ASN P 32 12.014 25.584 -5.084 1.00 0.00 O ATOM 1152 CB ASN P 32 10.155 24.599 -7.521 1.00 0.00 C ATOM 1153 CG ASN P 32 9.977 25.916 -8.263 1.00 0.00 C ATOM 1154 OD1 ASN P 32 10.756 26.853 -8.092 1.00 0.00 O ATOM 1155 ND2 ASN P 32 8.979 26.030 -9.085 1.00 0.00 N ATOM 0 H ASN P 32 8.036 25.408 -6.611 1.00 0.00 H new ATOM 0 HA ASN P 32 10.146 23.847 -5.536 1.00 0.00 H new ATOM 0 HB2 ASN P 32 11.154 24.203 -7.704 1.00 0.00 H new ATOM 0 HB3 ASN P 32 9.446 23.863 -7.899 1.00 0.00 H new ATOM 0 HD21 ASN P 32 8.836 26.901 -9.595 1.00 0.00 H new ATOM 0 HD22 ASN P 32 8.338 25.248 -9.221 1.00 0.00 H new ATOM 1162 N GLU P 33 10.379 27.093 -5.429 1.00 0.00 N ATOM 1163 CA GLU P 33 11.150 28.196 -4.884 1.00 0.00 C ATOM 1164 C GLU P 33 11.162 28.089 -3.355 1.00 0.00 C ATOM 1165 O GLU P 33 12.111 28.510 -2.694 1.00 0.00 O ATOM 1166 CB GLU P 33 10.522 29.529 -5.296 1.00 0.00 C ATOM 1167 CG GLU P 33 11.346 30.681 -4.716 1.00 0.00 C ATOM 1168 CD GLU P 33 10.743 32.015 -5.158 1.00 0.00 C ATOM 1169 OE1 GLU P 33 9.677 31.994 -5.750 1.00 0.00 O ATOM 1170 OE2 GLU P 33 11.359 33.036 -4.896 1.00 0.00 O ATOM 0 H GLU P 33 9.446 27.345 -5.755 1.00 0.00 H new ATOM 0 HA GLU P 33 12.169 28.150 -5.269 1.00 0.00 H new ATOM 0 HB2 GLU P 33 10.485 29.605 -6.383 1.00 0.00 H new ATOM 0 HB3 GLU P 33 9.494 29.586 -4.937 1.00 0.00 H new ATOM 0 HG2 GLU P 33 11.361 30.619 -3.628 1.00 0.00 H new ATOM 0 HG3 GLU P 33 12.380 30.608 -5.053 1.00 0.00 H new ATOM 1177 N ASN P 34 10.104 27.495 -2.808 1.00 0.00 N ATOM 1178 CA ASN P 34 9.993 27.300 -1.379 1.00 0.00 C ATOM 1179 C ASN P 34 10.117 25.804 -1.078 1.00 0.00 C ATOM 1180 O ASN P 34 9.739 25.310 -0.016 1.00 0.00 O ATOM 1181 CB ASN P 34 8.649 27.847 -0.905 1.00 0.00 C ATOM 1182 CG ASN P 34 7.774 26.723 -0.376 1.00 0.00 C ATOM 1183 OD1 ASN P 34 7.427 25.777 -1.184 1.00 0.00 O flip ATOM 1184 ND2 ASN P 34 7.401 26.708 0.796 1.00 0.00 N flip ATOM 0 H ASN P 34 9.311 27.141 -3.343 1.00 0.00 H new ATOM 0 HA ASN P 34 10.786 27.831 -0.852 1.00 0.00 H new ATOM 0 HB2 ASN P 34 8.807 28.591 -0.124 1.00 0.00 H new ATOM 0 HB3 ASN P 34 8.144 28.352 -1.729 1.00 0.00 H new ATOM 0 HD21 ASN P 34 7.678 27.458 1.429 1.00 0.00 H new ATOM 0 HD22 ASN P 34 6.814 25.946 1.135 1.00 0.00 H new ATOM 1191 N GLY P 35 10.678 25.104 -2.048 1.00 0.00 N ATOM 1192 CA GLY P 35 10.893 23.669 -1.956 1.00 0.00 C ATOM 1193 C GLY P 35 9.606 22.856 -2.095 1.00 0.00 C ATOM 1194 O GLY P 35 8.970 22.476 -1.114 1.00 0.00 O ATOM 0 H GLY P 35 10.999 25.515 -2.925 1.00 0.00 H new ATOM 0 HA2 GLY P 35 11.594 23.363 -2.733 1.00 0.00 H new ATOM 0 HA3 GLY P 35 11.359 23.439 -0.998 1.00 0.00 H new ATOM 1198 N TRP P 36 9.267 22.568 -3.345 1.00 0.00 N ATOM 1199 CA TRP P 36 8.098 21.770 -3.676 1.00 0.00 C ATOM 1200 C TRP P 36 8.547 20.317 -3.829 1.00 0.00 C ATOM 1201 O TRP P 36 9.693 19.982 -3.532 1.00 0.00 O ATOM 1202 CB TRP P 36 7.527 22.304 -4.994 1.00 0.00 C ATOM 1203 CG TRP P 36 6.415 21.493 -5.534 1.00 0.00 C ATOM 1204 CD1 TRP P 36 5.137 21.509 -5.138 1.00 0.00 C ATOM 1205 CD2 TRP P 36 6.483 20.559 -6.615 1.00 0.00 C ATOM 1206 NE1 TRP P 36 4.425 20.607 -5.917 1.00 0.00 N ATOM 1207 CE2 TRP P 36 5.225 19.989 -6.830 1.00 0.00 C ATOM 1208 CE3 TRP P 36 7.554 20.172 -7.394 1.00 0.00 C ATOM 1209 CZ2 TRP P 36 5.018 19.035 -7.805 1.00 0.00 C ATOM 1210 CZ3 TRP P 36 7.379 19.212 -8.391 1.00 0.00 C ATOM 1211 CH2 TRP P 36 6.113 18.633 -8.597 1.00 0.00 C ATOM 0 H TRP P 36 9.797 22.883 -4.158 1.00 0.00 H new ATOM 0 HA TRP P 36 7.332 21.826 -2.903 1.00 0.00 H new ATOM 0 HB2 TRP P 36 7.179 23.325 -4.841 1.00 0.00 H new ATOM 0 HB3 TRP P 36 8.326 22.347 -5.734 1.00 0.00 H new ATOM 0 HD1 TRP P 36 4.729 22.120 -4.347 1.00 0.00 H new ATOM 0 HE1 TRP P 36 3.426 20.429 -5.818 1.00 0.00 H new ATOM 0 HE3 TRP P 36 8.527 20.612 -7.232 1.00 0.00 H new ATOM 0 HZ2 TRP P 36 4.039 18.606 -7.958 1.00 0.00 H new ATOM 0 HZ3 TRP P 36 8.216 18.913 -9.005 1.00 0.00 H new ATOM 0 HH2 TRP P 36 5.980 17.881 -9.361 1.00 0.00 H new ATOM 1222 N VAL P 37 7.663 19.464 -4.287 1.00 0.00 N ATOM 1223 CA VAL P 37 8.017 18.064 -4.461 1.00 0.00 C ATOM 1224 C VAL P 37 7.294 17.449 -5.664 1.00 0.00 C ATOM 1225 O VAL P 37 7.843 17.376 -6.761 1.00 0.00 O ATOM 1226 CB VAL P 37 7.677 17.279 -3.192 1.00 0.00 C ATOM 1227 CG1 VAL P 37 6.426 17.870 -2.540 1.00 0.00 C ATOM 1228 CG2 VAL P 37 7.424 15.811 -3.548 1.00 0.00 C ATOM 0 H VAL P 37 6.705 19.703 -4.544 1.00 0.00 H new ATOM 0 HA VAL P 37 9.089 18.009 -4.648 1.00 0.00 H new ATOM 0 HB VAL P 37 8.512 17.344 -2.495 1.00 0.00 H new ATOM 0 HG11 VAL P 37 6.187 17.309 -1.637 1.00 0.00 H new ATOM 0 HG12 VAL P 37 6.609 18.913 -2.281 1.00 0.00 H new ATOM 0 HG13 VAL P 37 5.590 17.810 -3.237 1.00 0.00 H new ATOM 0 HG21 VAL P 37 7.182 15.254 -2.643 1.00 0.00 H new ATOM 0 HG22 VAL P 37 6.591 15.745 -4.248 1.00 0.00 H new ATOM 0 HG23 VAL P 37 8.318 15.388 -4.006 1.00 0.00 H new ATOM 1238 N SER P 38 6.068 17.010 -5.450 1.00 0.00 N ATOM 1239 CA SER P 38 5.279 16.413 -6.514 1.00 0.00 C ATOM 1240 C SER P 38 3.833 16.295 -6.078 1.00 0.00 C ATOM 1241 O SER P 38 3.546 15.896 -4.950 1.00 0.00 O ATOM 1242 CB SER P 38 5.811 15.043 -6.884 1.00 0.00 C ATOM 1243 OG SER P 38 6.242 14.363 -5.712 1.00 0.00 O ATOM 0 H SER P 38 5.595 17.055 -4.547 1.00 0.00 H new ATOM 0 HA SER P 38 5.347 17.058 -7.390 1.00 0.00 H new ATOM 0 HB2 SER P 38 5.036 14.465 -7.387 1.00 0.00 H new ATOM 0 HB3 SER P 38 6.640 15.141 -7.585 1.00 0.00 H new ATOM 0 HG SER P 38 6.858 13.643 -5.960 1.00 0.00 H new ATOM 1249 N CYS P 39 2.919 16.665 -6.956 1.00 0.00 N ATOM 1250 CA CYS P 39 1.527 16.603 -6.594 1.00 0.00 C ATOM 1251 C CYS P 39 1.069 15.176 -6.404 1.00 0.00 C ATOM 1252 O CYS P 39 1.856 14.243 -6.447 1.00 0.00 O ATOM 1253 CB CYS P 39 0.669 17.304 -7.617 1.00 0.00 C ATOM 1254 SG CYS P 39 0.129 16.179 -8.919 1.00 0.00 S ATOM 0 H CYS P 39 3.113 17.002 -7.899 1.00 0.00 H new ATOM 0 HA CYS P 39 1.415 17.120 -5.641 1.00 0.00 H new ATOM 0 HB2 CYS P 39 -0.202 17.737 -7.126 1.00 0.00 H new ATOM 0 HB3 CYS P 39 1.229 18.129 -8.058 1.00 0.00 H new ATOM 0 HG CYS P 39 -0.249 16.865 -9.956 1.00 0.00 H new ATOM 1259 N SER P 40 -0.207 15.018 -6.168 1.00 0.00 N ATOM 1260 CA SER P 40 -0.742 13.673 -5.910 1.00 0.00 C ATOM 1261 C SER P 40 -0.720 12.795 -7.161 1.00 0.00 C ATOM 1262 O SER P 40 -0.437 11.586 -7.120 1.00 0.00 O ATOM 1263 CB SER P 40 -2.181 13.785 -5.407 1.00 0.00 C ATOM 1264 OG SER P 40 -2.824 12.524 -5.536 1.00 0.00 O ATOM 0 H SER P 40 -0.894 15.772 -6.145 1.00 0.00 H new ATOM 0 HA SER P 40 -0.106 13.206 -5.159 1.00 0.00 H new ATOM 0 HB2 SER P 40 -2.190 14.106 -4.365 1.00 0.00 H new ATOM 0 HB3 SER P 40 -2.720 14.541 -5.978 1.00 0.00 H new ATOM 0 HG SER P 40 -3.747 12.593 -5.213 1.00 0.00 H new ATOM 1270 N ASN P 41 -1.030 13.428 -8.255 1.00 0.00 N ATOM 1271 CA ASN P 41 -1.092 12.771 -9.539 1.00 0.00 C ATOM 1272 C ASN P 41 0.290 12.347 -9.987 1.00 0.00 C ATOM 1273 O ASN P 41 0.651 11.179 -9.899 1.00 0.00 O ATOM 1274 CB ASN P 41 -1.675 13.743 -10.552 1.00 0.00 C ATOM 1275 CG ASN P 41 -3.137 14.025 -10.207 1.00 0.00 C ATOM 1276 OD1 ASN P 41 -3.464 14.395 -8.982 1.00 0.00 O flip ATOM 1277 ND2 ASN P 41 -3.999 13.908 -11.073 1.00 0.00 N flip ATOM 0 H ASN P 41 -1.250 14.424 -8.287 1.00 0.00 H new ATOM 0 HA ASN P 41 -1.717 11.882 -9.459 1.00 0.00 H new ATOM 0 HB2 ASN P 41 -1.104 14.672 -10.550 1.00 0.00 H new ATOM 0 HB3 ASN P 41 -1.601 13.325 -11.556 1.00 0.00 H new ATOM 0 HD21 ASN P 41 -3.738 13.622 -12.017 1.00 0.00 H new ATOM 0 HD22 ASN P 41 -4.976 14.097 -10.849 1.00 0.00 H new ATOM 1284 N CYS P 42 1.067 13.303 -10.453 1.00 0.00 N ATOM 1285 CA CYS P 42 2.409 13.002 -10.889 1.00 0.00 C ATOM 1286 C CYS P 42 3.070 12.065 -9.884 1.00 0.00 C ATOM 1287 O CYS P 42 3.990 11.323 -10.223 1.00 0.00 O ATOM 1288 CB CYS P 42 3.205 14.294 -11.012 1.00 0.00 C ATOM 1289 SG CYS P 42 2.339 15.396 -12.154 1.00 0.00 S ATOM 0 H CYS P 42 0.794 14.282 -10.538 1.00 0.00 H new ATOM 0 HA CYS P 42 2.380 12.513 -11.862 1.00 0.00 H new ATOM 0 HB2 CYS P 42 3.311 14.768 -10.036 1.00 0.00 H new ATOM 0 HB3 CYS P 42 4.211 14.086 -11.376 1.00 0.00 H new ATOM 0 HG CYS P 42 1.396 14.738 -12.761 1.00 0.00 H new ATOM 1294 N LYS P 43 2.587 12.096 -8.645 1.00 0.00 N ATOM 1295 CA LYS P 43 3.135 11.235 -7.619 1.00 0.00 C ATOM 1296 C LYS P 43 2.885 9.770 -7.952 1.00 0.00 C ATOM 1297 O LYS P 43 3.816 9.034 -8.245 1.00 0.00 O ATOM 1298 CB LYS P 43 2.493 11.544 -6.269 1.00 0.00 C ATOM 1299 CG LYS P 43 3.301 12.621 -5.555 1.00 0.00 C ATOM 1300 CD LYS P 43 4.463 11.979 -4.794 1.00 0.00 C ATOM 1301 CE LYS P 43 3.987 11.540 -3.409 1.00 0.00 C ATOM 1302 NZ LYS P 43 5.132 10.958 -2.653 1.00 0.00 N ATOM 0 H LYS P 43 1.827 12.702 -8.336 1.00 0.00 H new ATOM 0 HA LYS P 43 4.208 11.418 -7.571 1.00 0.00 H new ATOM 0 HB2 LYS P 43 1.466 11.880 -6.411 1.00 0.00 H new ATOM 0 HB3 LYS P 43 2.452 10.641 -5.659 1.00 0.00 H new ATOM 0 HG2 LYS P 43 3.682 13.342 -6.278 1.00 0.00 H new ATOM 0 HG3 LYS P 43 2.661 13.170 -4.864 1.00 0.00 H new ATOM 0 HD2 LYS P 43 4.844 11.121 -5.348 1.00 0.00 H new ATOM 0 HD3 LYS P 43 5.285 12.688 -4.699 1.00 0.00 H new ATOM 0 HE2 LYS P 43 3.575 12.391 -2.867 1.00 0.00 H new ATOM 0 HE3 LYS P 43 3.188 10.805 -3.503 1.00 0.00 H new ATOM 0 HZ1 LYS P 43 4.810 10.659 -1.711 1.00 0.00 H new ATOM 0 HZ2 LYS P 43 5.506 10.136 -3.168 1.00 0.00 H new ATOM 0 HZ3 LYS P 43 5.881 11.673 -2.552 1.00 0.00 H new ATOM 1316 N ARG P 44 1.626 9.349 -7.888 1.00 0.00 N ATOM 1317 CA ARG P 44 1.296 7.958 -8.162 1.00 0.00 C ATOM 1318 C ARG P 44 1.637 7.564 -9.600 1.00 0.00 C ATOM 1319 O ARG P 44 1.813 6.391 -9.916 1.00 0.00 O ATOM 1320 CB ARG P 44 -0.190 7.726 -7.909 1.00 0.00 C ATOM 1321 CG ARG P 44 -1.048 8.882 -8.445 1.00 0.00 C ATOM 1322 CD ARG P 44 -2.083 9.312 -7.384 1.00 0.00 C ATOM 1323 NE ARG P 44 -2.728 8.142 -6.776 1.00 0.00 N ATOM 1324 CZ ARG P 44 -2.239 7.576 -5.669 1.00 0.00 C ATOM 1325 NH1 ARG P 44 -1.211 8.099 -5.052 1.00 0.00 N ATOM 1326 NH2 ARG P 44 -2.803 6.508 -5.178 1.00 0.00 N ATOM 0 H ARG P 44 0.830 9.941 -7.653 1.00 0.00 H new ATOM 0 HA ARG P 44 1.893 7.337 -7.495 1.00 0.00 H new ATOM 0 HB2 ARG P 44 -0.498 6.794 -8.384 1.00 0.00 H new ATOM 0 HB3 ARG P 44 -0.363 7.611 -6.839 1.00 0.00 H new ATOM 0 HG2 ARG P 44 -0.411 9.727 -8.706 1.00 0.00 H new ATOM 0 HG3 ARG P 44 -1.558 8.574 -9.358 1.00 0.00 H new ATOM 0 HD2 ARG P 44 -1.593 9.904 -6.611 1.00 0.00 H new ATOM 0 HD3 ARG P 44 -2.838 9.950 -7.844 1.00 0.00 H new ATOM 0 HE ARG P 44 -3.567 7.753 -7.207 1.00 0.00 H new ATOM 0 HH11 ARG P 44 -0.775 8.947 -5.415 1.00 0.00 H new ATOM 0 HH12 ARG P 44 -0.845 7.659 -4.207 1.00 0.00 H new ATOM 0 HH21 ARG P 44 -3.618 6.104 -5.639 1.00 0.00 H new ATOM 0 HH22 ARG P 44 -2.429 6.076 -4.333 1.00 0.00 H new ATOM 1340 N TRP P 45 1.704 8.555 -10.451 1.00 0.00 N ATOM 1341 CA TRP P 45 2.003 8.345 -11.869 1.00 0.00 C ATOM 1342 C TRP P 45 3.354 8.920 -12.267 1.00 0.00 C ATOM 1343 O TRP P 45 3.629 9.097 -13.452 1.00 0.00 O ATOM 1344 CB TRP P 45 0.897 8.994 -12.691 1.00 0.00 C ATOM 1345 CG TRP P 45 -0.328 8.313 -12.261 1.00 0.00 C ATOM 1346 CD1 TRP P 45 -0.357 7.009 -12.010 1.00 0.00 C ATOM 1347 CD2 TRP P 45 -1.658 8.831 -11.988 1.00 0.00 C ATOM 1348 NE1 TRP P 45 -1.593 6.660 -11.572 1.00 0.00 N ATOM 1349 CE2 TRP P 45 -2.462 7.745 -11.552 1.00 0.00 C ATOM 1350 CE3 TRP P 45 -2.249 10.105 -12.068 1.00 0.00 C ATOM 1351 CZ2 TRP P 45 -3.805 7.932 -11.208 1.00 0.00 C ATOM 1352 CZ3 TRP P 45 -3.597 10.287 -11.722 1.00 0.00 C ATOM 1353 CH2 TRP P 45 -4.370 9.199 -11.295 1.00 0.00 C ATOM 0 H TRP P 45 1.556 9.531 -10.195 1.00 0.00 H new ATOM 0 HA TRP P 45 2.051 7.273 -12.058 1.00 0.00 H new ATOM 0 HB2 TRP P 45 0.841 10.066 -12.505 1.00 0.00 H new ATOM 0 HB3 TRP P 45 1.069 8.865 -13.760 1.00 0.00 H new ATOM 0 HD1 TRP P 45 0.475 6.331 -12.135 1.00 0.00 H new ATOM 0 HE1 TRP P 45 -1.853 5.715 -11.291 1.00 0.00 H new ATOM 0 HE3 TRP P 45 -1.661 10.949 -12.398 1.00 0.00 H new ATOM 0 HZ2 TRP P 45 -4.401 7.095 -10.876 1.00 0.00 H new ATOM 0 HZ3 TRP P 45 -4.040 11.270 -11.785 1.00 0.00 H new ATOM 0 HH2 TRP P 45 -5.407 9.345 -11.033 1.00 0.00 H new ATOM 1364 N ASN P 46 4.188 9.194 -11.275 1.00 0.00 N ATOM 1365 CA ASN P 46 5.516 9.745 -11.541 1.00 0.00 C ATOM 1366 C ASN P 46 5.468 10.522 -12.850 1.00 0.00 C ATOM 1367 O ASN P 46 6.303 10.348 -13.736 1.00 0.00 O ATOM 1368 CB ASN P 46 6.540 8.615 -11.654 1.00 0.00 C ATOM 1369 CG ASN P 46 7.932 9.152 -11.315 1.00 0.00 C ATOM 1370 OD1 ASN P 46 8.693 9.527 -12.206 1.00 0.00 O ATOM 1371 ND2 ASN P 46 8.309 9.210 -10.067 1.00 0.00 N ATOM 0 H ASN P 46 3.976 9.047 -10.288 1.00 0.00 H new ATOM 0 HA ASN P 46 5.810 10.404 -10.724 1.00 0.00 H new ATOM 0 HB2 ASN P 46 6.277 7.803 -10.977 1.00 0.00 H new ATOM 0 HB3 ASN P 46 6.533 8.203 -12.663 1.00 0.00 H new ATOM 0 HD21 ASN P 46 9.235 9.566 -9.830 1.00 0.00 H new ATOM 0 HD22 ASN P 46 7.678 8.899 -9.329 1.00 0.00 H new ATOM 1378 N LYS P 47 4.435 11.334 -12.974 1.00 0.00 N ATOM 1379 CA LYS P 47 4.208 12.096 -14.191 1.00 0.00 C ATOM 1380 C LYS P 47 5.182 13.268 -14.348 1.00 0.00 C ATOM 1381 O LYS P 47 6.398 13.085 -14.319 1.00 0.00 O ATOM 1382 CB LYS P 47 2.775 12.613 -14.180 1.00 0.00 C ATOM 1383 CG LYS P 47 1.811 11.431 -14.087 1.00 0.00 C ATOM 1384 CD LYS P 47 1.541 10.877 -15.487 1.00 0.00 C ATOM 1385 CE LYS P 47 0.755 11.907 -16.301 1.00 0.00 C ATOM 1386 NZ LYS P 47 -0.366 11.228 -17.010 1.00 0.00 N ATOM 0 H LYS P 47 3.737 11.484 -12.245 1.00 0.00 H new ATOM 0 HA LYS P 47 4.378 11.433 -15.039 1.00 0.00 H new ATOM 0 HB2 LYS P 47 2.626 13.286 -13.336 1.00 0.00 H new ATOM 0 HB3 LYS P 47 2.577 13.188 -15.085 1.00 0.00 H new ATOM 0 HG2 LYS P 47 2.235 10.653 -13.452 1.00 0.00 H new ATOM 0 HG3 LYS P 47 0.876 11.747 -13.623 1.00 0.00 H new ATOM 0 HD2 LYS P 47 2.482 10.645 -15.986 1.00 0.00 H new ATOM 0 HD3 LYS P 47 0.979 9.946 -15.419 1.00 0.00 H new ATOM 0 HE2 LYS P 47 0.366 12.685 -15.644 1.00 0.00 H new ATOM 0 HE3 LYS P 47 1.412 12.396 -17.021 1.00 0.00 H new ATOM 0 HZ1 LYS P 47 -0.901 11.927 -17.564 1.00 0.00 H new ATOM 0 HZ2 LYS P 47 0.016 10.501 -17.648 1.00 0.00 H new ATOM 0 HZ3 LYS P 47 -0.997 10.781 -16.314 1.00 0.00 H new ATOM 1400 N ASP P 48 4.644 14.469 -14.537 1.00 0.00 N ATOM 1401 CA ASP P 48 5.489 15.643 -14.722 1.00 0.00 C ATOM 1402 C ASP P 48 4.778 16.889 -14.209 1.00 0.00 C ATOM 1403 O ASP P 48 4.353 17.751 -14.977 1.00 0.00 O ATOM 1404 CB ASP P 48 5.811 15.820 -16.207 1.00 0.00 C ATOM 1405 CG ASP P 48 7.114 16.609 -16.356 1.00 0.00 C ATOM 1406 OD1 ASP P 48 7.527 17.222 -15.385 1.00 0.00 O ATOM 1407 OD2 ASP P 48 7.676 16.586 -17.438 1.00 0.00 O ATOM 0 H ASP P 48 3.641 14.654 -14.566 1.00 0.00 H new ATOM 0 HA ASP P 48 6.413 15.501 -14.161 1.00 0.00 H new ATOM 0 HB2 ASP P 48 5.906 14.847 -16.688 1.00 0.00 H new ATOM 0 HB3 ASP P 48 4.997 16.345 -16.707 1.00 0.00 H new ATOM 1412 N CYS P 49 4.642 16.956 -12.903 1.00 0.00 N ATOM 1413 CA CYS P 49 3.975 18.063 -12.259 1.00 0.00 C ATOM 1414 C CYS P 49 4.487 19.411 -12.710 1.00 0.00 C ATOM 1415 O CYS P 49 5.669 19.715 -12.563 1.00 0.00 O ATOM 1416 CB CYS P 49 4.233 18.011 -10.774 1.00 0.00 C ATOM 1417 SG CYS P 49 2.752 18.557 -9.938 1.00 0.00 S ATOM 0 H CYS P 49 4.990 16.245 -12.260 1.00 0.00 H new ATOM 0 HA CYS P 49 2.921 17.964 -12.519 1.00 0.00 H new ATOM 0 HB2 CYS P 49 4.492 16.998 -10.467 1.00 0.00 H new ATOM 0 HB3 CYS P 49 5.077 18.649 -10.511 1.00 0.00 H new ATOM 0 HG CYS P 49 3.076 19.180 -8.844 1.00 0.00 H new ATOM 1422 N THR P 50 3.596 20.250 -13.193 1.00 0.00 N ATOM 1423 CA THR P 50 4.031 21.573 -13.560 1.00 0.00 C ATOM 1424 C THR P 50 2.889 22.601 -13.596 1.00 0.00 C ATOM 1425 O THR P 50 1.729 22.288 -13.916 1.00 0.00 O ATOM 1426 CB THR P 50 4.816 21.537 -14.863 1.00 0.00 C ATOM 1427 OG1 THR P 50 4.314 20.504 -15.689 1.00 0.00 O ATOM 1428 CG2 THR P 50 6.273 21.258 -14.541 1.00 0.00 C ATOM 0 H THR P 50 2.606 20.049 -13.335 1.00 0.00 H new ATOM 0 HA THR P 50 4.699 21.918 -12.771 1.00 0.00 H new ATOM 0 HB THR P 50 4.721 22.491 -15.382 1.00 0.00 H new ATOM 0 HG1 THR P 50 4.307 20.805 -16.622 1.00 0.00 H new ATOM 0 HG21 THR P 50 6.851 21.229 -15.465 1.00 0.00 H new ATOM 0 HG22 THR P 50 6.660 22.046 -13.896 1.00 0.00 H new ATOM 0 HG23 THR P 50 6.356 20.298 -14.031 1.00 0.00 H new ATOM 1436 N PHE P 51 3.275 23.829 -13.229 1.00 0.00 N ATOM 1437 CA PHE P 51 2.394 24.996 -13.160 1.00 0.00 C ATOM 1438 C PHE P 51 3.083 26.158 -13.894 1.00 0.00 C ATOM 1439 O PHE P 51 2.763 27.327 -13.680 1.00 0.00 O ATOM 1440 CB PHE P 51 2.261 25.457 -11.697 1.00 0.00 C ATOM 1441 CG PHE P 51 1.196 24.711 -10.927 1.00 0.00 C ATOM 1442 CD1 PHE P 51 1.022 23.332 -11.079 1.00 0.00 C ATOM 1443 CD2 PHE P 51 0.399 25.418 -10.018 1.00 0.00 C ATOM 1444 CE1 PHE P 51 0.049 22.665 -10.321 1.00 0.00 C ATOM 1445 CE2 PHE P 51 -0.573 24.753 -9.266 1.00 0.00 C ATOM 1446 CZ PHE P 51 -0.748 23.375 -9.415 1.00 0.00 C ATOM 0 H PHE P 51 4.237 24.042 -12.965 1.00 0.00 H new ATOM 0 HA PHE P 51 1.426 24.737 -13.588 1.00 0.00 H new ATOM 0 HB2 PHE P 51 3.220 25.328 -11.195 1.00 0.00 H new ATOM 0 HB3 PHE P 51 2.033 26.523 -11.679 1.00 0.00 H new ATOM 0 HD1 PHE P 51 1.635 22.782 -11.778 1.00 0.00 H new ATOM 0 HD2 PHE P 51 0.536 26.482 -9.898 1.00 0.00 H new ATOM 0 HE1 PHE P 51 -0.086 21.600 -10.436 1.00 0.00 H new ATOM 0 HE2 PHE P 51 -1.188 25.304 -8.570 1.00 0.00 H new ATOM 0 HZ PHE P 51 -1.497 22.858 -8.833 1.00 0.00 H new ATOM 1456 N ASN P 52 4.069 25.822 -14.711 1.00 0.00 N ATOM 1457 CA ASN P 52 4.861 26.831 -15.421 1.00 0.00 C ATOM 1458 C ASN P 52 4.358 27.017 -16.832 1.00 0.00 C ATOM 1459 O ASN P 52 3.571 27.921 -17.117 1.00 0.00 O ATOM 1460 CB ASN P 52 6.311 26.366 -15.456 1.00 0.00 C ATOM 1461 CG ASN P 52 6.700 25.952 -14.052 1.00 0.00 C ATOM 1462 OD1 ASN P 52 6.203 24.855 -13.577 1.00 0.00 O flip ATOM 1463 ND2 ASN P 52 7.471 26.633 -13.378 1.00 0.00 N flip ATOM 0 H ASN P 52 4.345 24.859 -14.903 1.00 0.00 H new ATOM 0 HA ASN P 52 4.775 27.785 -14.902 1.00 0.00 H new ATOM 0 HB2 ASN P 52 6.427 25.531 -16.146 1.00 0.00 H new ATOM 0 HB3 ASN P 52 6.960 27.166 -15.812 1.00 0.00 H new ATOM 0 HD21 ASN P 52 7.857 27.496 -13.761 1.00 0.00 H new ATOM 0 HD22 ASN P 52 7.724 26.335 -12.436 1.00 0.00 H new ATOM 1470 N TRP P 53 4.763 26.123 -17.706 1.00 0.00 N ATOM 1471 CA TRP P 53 4.278 26.170 -19.046 1.00 0.00 C ATOM 1472 C TRP P 53 2.783 26.375 -18.934 1.00 0.00 C ATOM 1473 O TRP P 53 2.135 26.946 -19.809 1.00 0.00 O ATOM 1474 CB TRP P 53 4.560 24.840 -19.716 1.00 0.00 C ATOM 1475 CG TRP P 53 3.952 23.746 -18.897 1.00 0.00 C ATOM 1476 CD1 TRP P 53 4.149 23.535 -17.569 1.00 0.00 C ATOM 1477 CD2 TRP P 53 3.052 22.703 -19.332 1.00 0.00 C ATOM 1478 NE1 TRP P 53 3.422 22.447 -17.179 1.00 0.00 N ATOM 1479 CE2 TRP P 53 2.745 21.879 -18.232 1.00 0.00 C ATOM 1480 CE3 TRP P 53 2.485 22.403 -20.571 1.00 0.00 C ATOM 1481 CZ2 TRP P 53 1.911 20.783 -18.361 1.00 0.00 C ATOM 1482 CZ3 TRP P 53 1.636 21.296 -20.713 1.00 0.00 C ATOM 1483 CH2 TRP P 53 1.357 20.480 -19.609 1.00 0.00 C ATOM 0 H TRP P 53 5.419 25.368 -17.507 1.00 0.00 H new ATOM 0 HA TRP P 53 4.749 26.961 -19.630 1.00 0.00 H new ATOM 0 HB2 TRP P 53 4.146 24.831 -20.724 1.00 0.00 H new ATOM 0 HB3 TRP P 53 5.635 24.686 -19.811 1.00 0.00 H new ATOM 0 HD1 TRP P 53 4.779 24.132 -16.926 1.00 0.00 H new ATOM 0 HE1 TRP P 53 3.386 22.098 -16.221 1.00 0.00 H new ATOM 0 HE3 TRP P 53 2.701 23.027 -21.426 1.00 0.00 H new ATOM 0 HZ2 TRP P 53 1.689 20.165 -17.503 1.00 0.00 H new ATOM 0 HZ3 TRP P 53 1.197 21.072 -21.674 1.00 0.00 H new ATOM 0 HH2 TRP P 53 0.715 19.619 -19.721 1.00 0.00 H new ATOM 1494 N LEU P 54 2.254 25.913 -17.802 1.00 0.00 N ATOM 1495 CA LEU P 54 0.849 26.056 -17.523 1.00 0.00 C ATOM 1496 C LEU P 54 0.560 27.497 -17.164 1.00 0.00 C ATOM 1497 O LEU P 54 -0.335 28.129 -17.712 1.00 0.00 O ATOM 1498 CB LEU P 54 0.491 25.179 -16.349 1.00 0.00 C ATOM 1499 CG LEU P 54 0.901 23.784 -16.706 1.00 0.00 C ATOM 1500 CD1 LEU P 54 0.198 22.794 -15.790 1.00 0.00 C ATOM 1501 CD2 LEU P 54 0.521 23.520 -18.155 1.00 0.00 C ATOM 0 H LEU P 54 2.786 25.439 -17.072 1.00 0.00 H new ATOM 0 HA LEU P 54 0.266 25.767 -18.398 1.00 0.00 H new ATOM 0 HB2 LEU P 54 1.004 25.513 -15.447 1.00 0.00 H new ATOM 0 HB3 LEU P 54 -0.578 25.226 -16.144 1.00 0.00 H new ATOM 0 HG LEU P 54 1.978 23.667 -16.584 1.00 0.00 H new ATOM 0 HD11 LEU P 54 0.498 21.779 -16.052 1.00 0.00 H new ATOM 0 HD12 LEU P 54 0.472 22.998 -14.755 1.00 0.00 H new ATOM 0 HD13 LEU P 54 -0.881 22.894 -15.906 1.00 0.00 H new ATOM 0 HD21 LEU P 54 0.814 22.507 -18.429 1.00 0.00 H new ATOM 0 HD22 LEU P 54 -0.557 23.631 -18.275 1.00 0.00 H new ATOM 0 HD23 LEU P 54 1.033 24.233 -18.801 1.00 0.00 H new ATOM 1513 N SER P 55 1.362 28.032 -16.259 1.00 0.00 N ATOM 1514 CA SER P 55 1.205 29.421 -15.890 1.00 0.00 C ATOM 1515 C SER P 55 0.956 30.197 -17.179 1.00 0.00 C ATOM 1516 O SER P 55 0.304 31.236 -17.189 1.00 0.00 O ATOM 1517 CB SER P 55 2.474 29.937 -15.209 1.00 0.00 C ATOM 1518 OG SER P 55 3.054 30.960 -16.007 1.00 0.00 O ATOM 0 H SER P 55 2.112 27.536 -15.777 1.00 0.00 H new ATOM 0 HA SER P 55 0.378 29.543 -15.191 1.00 0.00 H new ATOM 0 HB2 SER P 55 2.237 30.324 -14.218 1.00 0.00 H new ATOM 0 HB3 SER P 55 3.184 29.121 -15.071 1.00 0.00 H new ATOM 0 HG SER P 55 3.866 31.293 -15.572 1.00 0.00 H new ATOM 1524 N SER P 56 1.472 29.642 -18.274 1.00 0.00 N ATOM 1525 CA SER P 56 1.294 30.229 -19.586 1.00 0.00 C ATOM 1526 C SER P 56 -0.020 29.741 -20.218 1.00 0.00 C ATOM 1527 O SER P 56 -0.732 30.517 -20.851 1.00 0.00 O ATOM 1528 CB SER P 56 2.464 29.836 -20.489 1.00 0.00 C ATOM 1529 OG SER P 56 3.679 29.953 -19.760 1.00 0.00 O ATOM 0 H SER P 56 2.019 28.781 -18.270 1.00 0.00 H new ATOM 0 HA SER P 56 1.257 31.313 -19.480 1.00 0.00 H new ATOM 0 HB2 SER P 56 2.337 28.814 -20.845 1.00 0.00 H new ATOM 0 HB3 SER P 56 2.491 30.478 -21.369 1.00 0.00 H new ATOM 0 HG SER P 56 4.431 29.700 -20.335 1.00 0.00 H new ATOM 1535 N GLN P 57 -0.341 28.452 -20.058 1.00 0.00 N ATOM 1536 CA GLN P 57 -1.575 27.924 -20.645 1.00 0.00 C ATOM 1537 C GLN P 57 -2.827 28.413 -19.898 1.00 0.00 C ATOM 1538 O GLN P 57 -3.733 28.989 -20.497 1.00 0.00 O ATOM 1539 CB GLN P 57 -1.556 26.394 -20.620 1.00 0.00 C ATOM 1540 CG GLN P 57 -2.412 25.848 -21.767 1.00 0.00 C ATOM 1541 CD GLN P 57 -3.469 24.888 -21.206 1.00 0.00 C ATOM 1542 OE1 GLN P 57 -3.721 23.828 -21.778 1.00 0.00 O ATOM 1543 NE2 GLN P 57 -4.106 25.206 -20.110 1.00 0.00 N ATOM 0 H GLN P 57 0.219 27.773 -19.542 1.00 0.00 H new ATOM 0 HA GLN P 57 -1.621 28.289 -21.671 1.00 0.00 H new ATOM 0 HB2 GLN P 57 -0.532 26.032 -20.713 1.00 0.00 H new ATOM 0 HB3 GLN P 57 -1.937 26.032 -19.665 1.00 0.00 H new ATOM 0 HG2 GLN P 57 -2.896 26.669 -22.296 1.00 0.00 H new ATOM 0 HG3 GLN P 57 -1.782 25.330 -22.490 1.00 0.00 H new ATOM 0 HE21 GLN P 57 -3.897 26.085 -19.636 1.00 0.00 H new ATOM 0 HE22 GLN P 57 -4.812 24.576 -19.729 1.00 0.00 H new