USER MOD reduce.3.24.130724 H: found=0, std=0, add=1025, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1027 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: A1002 MET CE :methyl -150:sc= -4.97! (180deg=-6.45!) USER MOD Set 1.2: A1006 GLN : amide:sc= -8.27! C(o=-17!,f=-19!) USER MOD Set 1.3: A1014 GLN : amide:sc= -3.47! C(o=-17!,f=-19!) USER MOD Set 2.1: A 954 MET CE :methyl -108:sc= -4.4! (180deg=-9.95!) USER MOD Set 2.2: A1021 MET CE :methyl 156:sc= -3! (180deg=-3.94!) USER MOD Single : A 921 SER OG : rot 180:sc= 0 USER MOD Single : A 922 ASN : amide:sc= 0.938 K(o=0.94,f=-0.53) USER MOD Single : A 924 LYS NZ :NH3+ -163:sc= 0.998 (180deg=0.798) USER MOD Single : A 926 TYR OH : rot 180:sc= 0 USER MOD Single : A 928 ASN : amide:sc= -2.48 K(o=-2.5,f=-6.2!) USER MOD Single : A 930 THR OG1 : rot 78:sc= 1.21 USER MOD Single : A 934 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 939 MET CE :methyl -149:sc= -0.857 (180deg=-1.48) USER MOD Single : A 940 SER OG : rot 180:sc= 0 USER MOD Single : A 941 SER OG : rot 60:sc= 1.26 USER MOD Single : A 942 LYS NZ :NH3+ 172:sc= 0.788 (180deg=0.751) USER MOD Single : A 944 GLN : amide:sc= -1.57! K(o=-1.6!,f=-0.54) USER MOD Single : A 951 TYR OH : rot 180:sc= 0 USER MOD Single : A 956 LYS NZ :NH3+ 140:sc= -0.866 (180deg=-2.67!) USER MOD Single : A 964 THR OG1 : rot 80:sc= 0.656 USER MOD Single : A 968 THR OG1 : rot -126:sc= -1.06 USER MOD Single : A 972 SER OG : rot 17:sc= -0.505 USER MOD Single : A 979 SER OG : rot 12:sc= 1.09 USER MOD Single : A 980 THR OG1 : rot -43:sc= -1.3 USER MOD Single : A 981 HIS : no HD1:sc= -3.14! C(o=-3.1!,f=-4.1!) USER MOD Single : A 986 MET CE :methyl 158:sc= -0.0229 (180deg=-1.16) USER MOD Single : A 988 GLN : amide:sc= -0.0292 K(o=-0.029,f=-0.61) USER MOD Single : A 989 LYS NZ :NH3+ 142:sc= 1.25 (180deg=-0.129) USER MOD Single : A 992 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 993 SER OG : rot 57:sc= 1.25 USER MOD Single : A1000 ASN : amide:sc= -0.0195 X(o=-0.019,f=-0.013) USER MOD Single : A1001 LYS NZ :NH3+ -125:sc= 0.218 (180deg=-0.0355) USER MOD Single : A1003 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1007 GLN : amide:sc= 0.376 X(o=0.38,f=-0.12) USER MOD Single : A1008 TYR OH : rot 180:sc= 0 USER MOD Single : A1015 GLN : amide:sc= -0.665 K(o=-0.66,f=0) USER MOD Single : A1017 TYR OH : rot 180:sc= 0 USER MOD Single : A1018 LYS NZ :NH3+ -167:sc= -0.017 (180deg=-0.18) USER MOD Single : A1019 LYS NZ :NH3+ 147:sc= 1.17 (180deg=-0.728) USER MOD Single : A1020 GLN : amide:sc= 0.696 K(o=0.7,f=-1.9) USER MOD Single : A1023 THR OG1 : rot 70:sc= 0.241 USER MOD Single : A1026 HIS : no HD1:sc= -0.0515 X(o=-0.052,f=0) USER MOD Single : A1033 LYS NZ :NH3+ 170:sc=-0.00939 (180deg=-0.116) USER MOD Single : A1034 ASN : amide:sc= -0.061 K(o=-0.061,f=-0.88) USER MOD Single : A1041 GLN : amide:sc= -0.382 X(o=-0.38,f=-0.57) USER MOD Single : A1045 LYS NZ :NH3+ -176:sc= 1.22 (180deg=1.12) USER MOD Single : A1046 MET CE :methyl 165:sc= -0.125 (180deg=-0.536) USER MOD Single : A1048 SER OG : rot 77:sc= 1.2 USER MOD Single : A1049 GLN : amide:sc= -3.22! C(o=-3.2!,f=-4.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 920 -7.786 -20.765 -2.505 1.00 0.00 N ATOM 2 CA ARG A 920 -7.853 -19.754 -1.469 1.00 0.00 C ATOM 3 C ARG A 920 -8.866 -18.673 -1.839 1.00 0.00 C ATOM 4 O ARG A 920 -9.220 -18.516 -3.007 1.00 0.00 O ATOM 5 CB ARG A 920 -6.478 -19.133 -1.275 1.00 0.00 C ATOM 6 CG ARG A 920 -6.323 -18.381 0.028 1.00 0.00 C ATOM 7 CD ARG A 920 -6.128 -19.326 1.208 1.00 0.00 C ATOM 8 NE ARG A 920 -7.388 -19.878 1.721 1.00 0.00 N ATOM 9 CZ ARG A 920 -7.616 -20.156 3.010 1.00 0.00 C ATOM 10 NH1 ARG A 920 -6.689 -19.904 3.931 1.00 0.00 N ATOM 11 NH2 ARG A 920 -8.777 -20.681 3.374 1.00 0.00 N ATOM 0 HA ARG A 920 -8.174 -20.223 -0.539 1.00 0.00 H new ATOM 0 HB2 ARG A 920 -5.725 -19.920 -1.321 1.00 0.00 H new ATOM 0 HB3 ARG A 920 -6.278 -18.452 -2.102 1.00 0.00 H new ATOM 0 HG2 ARG A 920 -5.470 -17.706 -0.041 1.00 0.00 H new ATOM 0 HG3 ARG A 920 -7.205 -17.764 0.199 1.00 0.00 H new ATOM 0 HD2 ARG A 920 -5.476 -20.146 0.905 1.00 0.00 H new ATOM 0 HD3 ARG A 920 -5.618 -18.794 2.011 1.00 0.00 H new ATOM 0 HE ARG A 920 -8.137 -20.061 1.053 1.00 0.00 H new ATOM 0 HH11 ARG A 920 -5.796 -19.495 3.657 1.00 0.00 H new ATOM 0 HH12 ARG A 920 -6.872 -20.119 4.911 1.00 0.00 H new ATOM 0 HH21 ARG A 920 -9.493 -20.872 2.673 1.00 0.00 H new ATOM 0 HH22 ARG A 920 -8.955 -20.894 4.355 1.00 0.00 H new ATOM 25 N SER A 921 -9.310 -17.922 -0.844 1.00 0.00 N ATOM 26 CA SER A 921 -10.363 -16.945 -1.037 1.00 0.00 C ATOM 27 C SER A 921 -9.918 -15.540 -0.610 1.00 0.00 C ATOM 28 O SER A 921 -10.648 -14.831 0.080 1.00 0.00 O ATOM 29 CB SER A 921 -11.587 -17.395 -0.247 1.00 0.00 C ATOM 30 OG SER A 921 -11.987 -18.697 -0.644 1.00 0.00 O ATOM 0 H SER A 921 -8.953 -17.973 0.110 1.00 0.00 H new ATOM 0 HA SER A 921 -10.607 -16.884 -2.098 1.00 0.00 H new ATOM 0 HB2 SER A 921 -11.361 -17.387 0.819 1.00 0.00 H new ATOM 0 HB3 SER A 921 -12.406 -16.693 -0.404 1.00 0.00 H new ATOM 0 HG SER A 921 -12.773 -18.970 -0.126 1.00 0.00 H new ATOM 36 N ASN A 922 -8.708 -15.162 -1.045 1.00 0.00 N ATOM 37 CA ASN A 922 -8.154 -13.803 -0.863 1.00 0.00 C ATOM 38 C ASN A 922 -8.363 -13.265 0.530 1.00 0.00 C ATOM 39 O ASN A 922 -8.866 -12.151 0.711 1.00 0.00 O ATOM 40 CB ASN A 922 -8.733 -12.819 -1.872 1.00 0.00 C ATOM 41 CG ASN A 922 -9.587 -13.486 -2.928 1.00 0.00 C ATOM 42 OD1 ASN A 922 -10.816 -13.428 -2.894 1.00 0.00 O ATOM 43 ND2 ASN A 922 -8.928 -14.156 -3.852 1.00 0.00 N ATOM 0 H ASN A 922 -8.076 -15.793 -1.538 1.00 0.00 H new ATOM 0 HA ASN A 922 -7.081 -13.903 -1.029 1.00 0.00 H new ATOM 0 HB2 ASN A 922 -9.332 -12.077 -1.344 1.00 0.00 H new ATOM 0 HB3 ASN A 922 -7.917 -12.284 -2.358 1.00 0.00 H new ATOM 0 HD21 ASN A 922 -9.438 -14.656 -4.581 1.00 0.00 H new ATOM 0 HD22 ASN A 922 -7.908 -14.175 -3.839 1.00 0.00 H new ATOM 50 N ASP A 923 -7.875 -14.046 1.475 1.00 0.00 N ATOM 51 CA ASP A 923 -7.932 -13.777 2.913 1.00 0.00 C ATOM 52 C ASP A 923 -7.490 -12.340 3.245 1.00 0.00 C ATOM 53 O ASP A 923 -7.273 -11.533 2.358 1.00 0.00 O ATOM 54 CB ASP A 923 -7.051 -14.827 3.620 1.00 0.00 C ATOM 55 CG ASP A 923 -7.037 -14.722 5.131 1.00 0.00 C ATOM 56 OD1 ASP A 923 -8.112 -14.539 5.731 1.00 0.00 O ATOM 57 OD2 ASP A 923 -5.939 -14.804 5.714 1.00 0.00 O ATOM 0 H ASP A 923 -7.406 -14.926 1.260 1.00 0.00 H new ATOM 0 HA ASP A 923 -8.960 -13.856 3.266 1.00 0.00 H new ATOM 0 HB2 ASP A 923 -7.399 -15.822 3.341 1.00 0.00 H new ATOM 0 HB3 ASP A 923 -6.029 -14.732 3.253 1.00 0.00 H new ATOM 62 N LYS A 924 -7.409 -12.028 4.527 1.00 0.00 N ATOM 63 CA LYS A 924 -7.021 -10.694 5.033 1.00 0.00 C ATOM 64 C LYS A 924 -5.922 -10.022 4.176 1.00 0.00 C ATOM 65 O LYS A 924 -5.777 -8.799 4.191 1.00 0.00 O ATOM 66 CB LYS A 924 -6.551 -10.820 6.490 1.00 0.00 C ATOM 67 CG LYS A 924 -7.016 -9.691 7.409 1.00 0.00 C ATOM 68 CD LYS A 924 -6.456 -8.341 6.991 1.00 0.00 C ATOM 69 CE LYS A 924 -6.832 -7.232 7.960 1.00 0.00 C ATOM 70 NZ LYS A 924 -8.307 -7.048 8.076 1.00 0.00 N ATOM 0 H LYS A 924 -7.612 -12.697 5.270 1.00 0.00 H new ATOM 0 HA LYS A 924 -7.900 -10.053 4.972 1.00 0.00 H new ATOM 0 HB2 LYS A 924 -6.908 -11.768 6.892 1.00 0.00 H new ATOM 0 HB3 LYS A 924 -5.462 -10.857 6.505 1.00 0.00 H new ATOM 0 HG2 LYS A 924 -8.105 -9.647 7.405 1.00 0.00 H new ATOM 0 HG3 LYS A 924 -6.709 -9.908 8.432 1.00 0.00 H new ATOM 0 HD2 LYS A 924 -5.370 -8.407 6.922 1.00 0.00 H new ATOM 0 HD3 LYS A 924 -6.824 -8.090 5.996 1.00 0.00 H new ATOM 0 HE2 LYS A 924 -6.419 -7.458 8.943 1.00 0.00 H new ATOM 0 HE3 LYS A 924 -6.378 -6.297 7.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 924 -8.509 -6.122 8.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 924 -8.738 -7.092 7.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 924 -8.705 -7.801 8.673 1.00 0.00 H new ATOM 84 N VAL A 925 -5.173 -10.815 3.412 1.00 0.00 N ATOM 85 CA VAL A 925 -4.212 -10.281 2.480 1.00 0.00 C ATOM 86 C VAL A 925 -4.885 -9.380 1.443 1.00 0.00 C ATOM 87 O VAL A 925 -4.504 -8.223 1.307 1.00 0.00 O ATOM 88 CB VAL A 925 -3.436 -11.411 1.763 1.00 0.00 C ATOM 89 CG1 VAL A 925 -2.432 -12.053 2.708 1.00 0.00 C ATOM 90 CG2 VAL A 925 -4.390 -12.465 1.218 1.00 0.00 C ATOM 0 H VAL A 925 -5.222 -11.834 3.429 1.00 0.00 H new ATOM 0 HA VAL A 925 -3.506 -9.684 3.057 1.00 0.00 H new ATOM 0 HB VAL A 925 -2.897 -10.969 0.925 1.00 0.00 H new ATOM 0 HG11 VAL A 925 -1.896 -12.845 2.186 1.00 0.00 H new ATOM 0 HG12 VAL A 925 -1.722 -11.300 3.051 1.00 0.00 H new ATOM 0 HG13 VAL A 925 -2.957 -12.474 3.565 1.00 0.00 H new ATOM 0 HG21 VAL A 925 -3.820 -13.248 0.719 1.00 0.00 H new ATOM 0 HG22 VAL A 925 -4.960 -12.899 2.039 1.00 0.00 H new ATOM 0 HG23 VAL A 925 -5.074 -12.003 0.505 1.00 0.00 H new ATOM 100 N TYR A 926 -5.945 -9.856 0.777 1.00 0.00 N ATOM 101 CA TYR A 926 -6.531 -9.092 -0.313 1.00 0.00 C ATOM 102 C TYR A 926 -7.332 -7.950 0.288 1.00 0.00 C ATOM 103 O TYR A 926 -7.433 -6.855 -0.264 1.00 0.00 O ATOM 104 CB TYR A 926 -7.431 -10.010 -1.133 1.00 0.00 C ATOM 105 CG TYR A 926 -8.276 -9.313 -2.170 1.00 0.00 C ATOM 106 CD1 TYR A 926 -9.498 -8.745 -1.829 1.00 0.00 C ATOM 107 CD2 TYR A 926 -7.850 -9.228 -3.487 1.00 0.00 C ATOM 108 CE1 TYR A 926 -10.272 -8.109 -2.780 1.00 0.00 C ATOM 109 CE2 TYR A 926 -8.617 -8.594 -4.444 1.00 0.00 C ATOM 110 CZ TYR A 926 -9.825 -8.033 -4.086 1.00 0.00 C ATOM 111 OH TYR A 926 -10.590 -7.397 -5.040 1.00 0.00 O ATOM 0 H TYR A 926 -6.401 -10.747 0.973 1.00 0.00 H new ATOM 0 HA TYR A 926 -5.760 -8.687 -0.968 1.00 0.00 H new ATOM 0 HB2 TYR A 926 -6.809 -10.753 -1.632 1.00 0.00 H new ATOM 0 HB3 TYR A 926 -8.089 -10.551 -0.453 1.00 0.00 H new ATOM 0 HD1 TYR A 926 -9.846 -8.802 -0.808 1.00 0.00 H new ATOM 0 HD2 TYR A 926 -6.903 -9.665 -3.769 1.00 0.00 H new ATOM 0 HE1 TYR A 926 -11.221 -7.673 -2.505 1.00 0.00 H new ATOM 0 HE2 TYR A 926 -8.273 -8.538 -5.466 1.00 0.00 H new ATOM 0 HH TYR A 926 -10.130 -7.432 -5.905 1.00 0.00 H new ATOM 121 N GLU A 927 -7.872 -8.234 1.454 1.00 0.00 N ATOM 122 CA GLU A 927 -8.752 -7.326 2.152 1.00 0.00 C ATOM 123 C GLU A 927 -8.029 -6.052 2.569 1.00 0.00 C ATOM 124 O GLU A 927 -8.412 -4.953 2.171 1.00 0.00 O ATOM 125 CB GLU A 927 -9.298 -8.031 3.384 1.00 0.00 C ATOM 126 CG GLU A 927 -10.631 -7.500 3.837 1.00 0.00 C ATOM 127 CD GLU A 927 -10.853 -7.727 5.314 1.00 0.00 C ATOM 128 OE1 GLU A 927 -10.281 -6.974 6.130 1.00 0.00 O ATOM 129 OE2 GLU A 927 -11.576 -8.680 5.671 1.00 0.00 O ATOM 0 H GLU A 927 -7.710 -9.112 1.948 1.00 0.00 H new ATOM 0 HA GLU A 927 -9.562 -7.040 1.481 1.00 0.00 H new ATOM 0 HB2 GLU A 927 -9.393 -9.096 3.171 1.00 0.00 H new ATOM 0 HB3 GLU A 927 -8.580 -7.931 4.198 1.00 0.00 H new ATOM 0 HG2 GLU A 927 -10.690 -6.433 3.620 1.00 0.00 H new ATOM 0 HG3 GLU A 927 -11.427 -7.985 3.271 1.00 0.00 H new ATOM 136 N ASN A 928 -6.968 -6.205 3.348 1.00 0.00 N ATOM 137 CA ASN A 928 -6.287 -5.055 3.928 1.00 0.00 C ATOM 138 C ASN A 928 -5.541 -4.265 2.863 1.00 0.00 C ATOM 139 O ASN A 928 -5.358 -3.060 2.995 1.00 0.00 O ATOM 140 CB ASN A 928 -5.319 -5.473 5.027 1.00 0.00 C ATOM 141 CG ASN A 928 -5.039 -4.337 5.991 1.00 0.00 C ATOM 142 OD1 ASN A 928 -5.676 -4.228 7.036 1.00 0.00 O ATOM 143 ND2 ASN A 928 -4.112 -3.465 5.633 1.00 0.00 N ATOM 0 H ASN A 928 -6.561 -7.108 3.592 1.00 0.00 H new ATOM 0 HA ASN A 928 -7.056 -4.419 4.367 1.00 0.00 H new ATOM 0 HB2 ASN A 928 -5.733 -6.320 5.574 1.00 0.00 H new ATOM 0 HB3 ASN A 928 -4.384 -5.809 4.579 1.00 0.00 H new ATOM 0 HD21 ASN A 928 -3.904 -2.667 6.233 1.00 0.00 H new ATOM 0 HD22 ASN A 928 -3.605 -3.591 4.757 1.00 0.00 H new ATOM 150 N VAL A 929 -5.075 -4.941 1.823 1.00 0.00 N ATOM 151 CA VAL A 929 -4.429 -4.234 0.726 1.00 0.00 C ATOM 152 C VAL A 929 -5.445 -3.353 0.007 1.00 0.00 C ATOM 153 O VAL A 929 -5.152 -2.211 -0.347 1.00 0.00 O ATOM 154 CB VAL A 929 -3.741 -5.158 -0.288 1.00 0.00 C ATOM 155 CG1 VAL A 929 -3.081 -4.320 -1.358 1.00 0.00 C ATOM 156 CG2 VAL A 929 -2.708 -6.031 0.387 1.00 0.00 C ATOM 0 H VAL A 929 -5.129 -5.954 1.715 1.00 0.00 H new ATOM 0 HA VAL A 929 -3.643 -3.628 1.176 1.00 0.00 H new ATOM 0 HB VAL A 929 -4.494 -5.807 -0.735 1.00 0.00 H new ATOM 0 HG11 VAL A 929 -2.591 -4.973 -2.081 1.00 0.00 H new ATOM 0 HG12 VAL A 929 -3.835 -3.718 -1.865 1.00 0.00 H new ATOM 0 HG13 VAL A 929 -2.340 -3.664 -0.901 1.00 0.00 H new ATOM 0 HG21 VAL A 929 -2.236 -6.676 -0.354 1.00 0.00 H new ATOM 0 HG22 VAL A 929 -1.951 -5.403 0.856 1.00 0.00 H new ATOM 0 HG23 VAL A 929 -3.191 -6.645 1.147 1.00 0.00 H new ATOM 166 N THR A 930 -6.650 -3.881 -0.193 1.00 0.00 N ATOM 167 CA THR A 930 -7.759 -3.061 -0.655 1.00 0.00 C ATOM 168 C THR A 930 -8.009 -1.956 0.370 1.00 0.00 C ATOM 169 O THR A 930 -8.321 -0.820 0.020 1.00 0.00 O ATOM 170 CB THR A 930 -9.043 -3.900 -0.853 1.00 0.00 C ATOM 171 OG1 THR A 930 -8.788 -4.976 -1.768 1.00 0.00 O ATOM 172 CG2 THR A 930 -10.184 -3.042 -1.387 1.00 0.00 C ATOM 0 H THR A 930 -6.879 -4.864 -0.043 1.00 0.00 H new ATOM 0 HA THR A 930 -7.499 -2.631 -1.622 1.00 0.00 H new ATOM 0 HB THR A 930 -9.336 -4.301 0.117 1.00 0.00 H new ATOM 0 HG1 THR A 930 -8.303 -5.691 -1.305 1.00 0.00 H new ATOM 0 HG21 THR A 930 -11.073 -3.659 -1.516 1.00 0.00 H new ATOM 0 HG22 THR A 930 -10.398 -2.240 -0.680 1.00 0.00 H new ATOM 0 HG23 THR A 930 -9.898 -2.612 -2.347 1.00 0.00 H new ATOM 180 N GLY A 931 -7.822 -2.312 1.638 1.00 0.00 N ATOM 181 CA GLY A 931 -7.903 -1.357 2.726 1.00 0.00 C ATOM 182 C GLY A 931 -6.897 -0.230 2.586 1.00 0.00 C ATOM 183 O GLY A 931 -7.182 0.903 2.969 1.00 0.00 O ATOM 0 H GLY A 931 -7.612 -3.265 1.933 1.00 0.00 H new ATOM 0 HA2 GLY A 931 -8.909 -0.939 2.764 1.00 0.00 H new ATOM 0 HA3 GLY A 931 -7.736 -1.873 3.671 1.00 0.00 H new ATOM 187 N LEU A 932 -5.716 -0.531 2.034 1.00 0.00 N ATOM 188 CA LEU A 932 -4.724 0.500 1.758 1.00 0.00 C ATOM 189 C LEU A 932 -5.299 1.454 0.726 1.00 0.00 C ATOM 190 O LEU A 932 -5.223 2.667 0.884 1.00 0.00 O ATOM 191 CB LEU A 932 -3.408 -0.114 1.251 1.00 0.00 C ATOM 192 CG LEU A 932 -2.164 0.797 1.312 1.00 0.00 C ATOM 193 CD1 LEU A 932 -0.909 0.004 1.009 1.00 0.00 C ATOM 194 CD2 LEU A 932 -2.263 1.967 0.344 1.00 0.00 C ATOM 0 H LEU A 932 -5.430 -1.475 1.773 1.00 0.00 H new ATOM 0 HA LEU A 932 -4.495 1.037 2.678 1.00 0.00 H new ATOM 0 HB2 LEU A 932 -3.203 -1.013 1.832 1.00 0.00 H new ATOM 0 HB3 LEU A 932 -3.552 -0.428 0.217 1.00 0.00 H new ATOM 0 HG LEU A 932 -2.114 1.196 2.325 1.00 0.00 H new ATOM 0 HD11 LEU A 932 -0.042 0.663 1.057 1.00 0.00 H new ATOM 0 HD12 LEU A 932 -0.798 -0.795 1.742 1.00 0.00 H new ATOM 0 HD13 LEU A 932 -0.983 -0.427 0.010 1.00 0.00 H new ATOM 0 HD21 LEU A 932 -1.365 2.581 0.422 1.00 0.00 H new ATOM 0 HD22 LEU A 932 -2.357 1.590 -0.674 1.00 0.00 H new ATOM 0 HD23 LEU A 932 -3.137 2.570 0.590 1.00 0.00 H new ATOM 206 N VAL A 933 -5.892 0.887 -0.318 1.00 0.00 N ATOM 207 CA VAL A 933 -6.548 1.678 -1.349 1.00 0.00 C ATOM 208 C VAL A 933 -7.625 2.561 -0.721 1.00 0.00 C ATOM 209 O VAL A 933 -7.754 3.733 -1.053 1.00 0.00 O ATOM 210 CB VAL A 933 -7.181 0.777 -2.435 1.00 0.00 C ATOM 211 CG1 VAL A 933 -7.781 1.617 -3.552 1.00 0.00 C ATOM 212 CG2 VAL A 933 -6.153 -0.198 -2.992 1.00 0.00 C ATOM 0 H VAL A 933 -5.931 -0.121 -0.472 1.00 0.00 H new ATOM 0 HA VAL A 933 -5.792 2.303 -1.824 1.00 0.00 H new ATOM 0 HB VAL A 933 -7.983 0.202 -1.972 1.00 0.00 H new ATOM 0 HG11 VAL A 933 -8.220 0.962 -4.304 1.00 0.00 H new ATOM 0 HG12 VAL A 933 -8.553 2.269 -3.143 1.00 0.00 H new ATOM 0 HG13 VAL A 933 -7.000 2.224 -4.011 1.00 0.00 H new ATOM 0 HG21 VAL A 933 -6.619 -0.822 -3.754 1.00 0.00 H new ATOM 0 HG22 VAL A 933 -5.326 0.358 -3.434 1.00 0.00 H new ATOM 0 HG23 VAL A 933 -5.776 -0.829 -2.187 1.00 0.00 H new ATOM 222 N LYS A 934 -8.378 1.984 0.204 1.00 0.00 N ATOM 223 CA LYS A 934 -9.427 2.711 0.913 1.00 0.00 C ATOM 224 C LYS A 934 -8.823 3.842 1.745 1.00 0.00 C ATOM 225 O LYS A 934 -9.357 4.950 1.789 1.00 0.00 O ATOM 226 CB LYS A 934 -10.221 1.766 1.831 1.00 0.00 C ATOM 227 CG LYS A 934 -10.723 0.473 1.176 1.00 0.00 C ATOM 228 CD LYS A 934 -11.740 0.715 0.066 1.00 0.00 C ATOM 229 CE LYS A 934 -11.074 1.067 -1.256 1.00 0.00 C ATOM 230 NZ LYS A 934 -12.054 1.162 -2.368 1.00 0.00 N ATOM 0 H LYS A 934 -8.283 1.008 0.484 1.00 0.00 H new ATOM 0 HA LYS A 934 -10.104 3.133 0.170 1.00 0.00 H new ATOM 0 HB2 LYS A 934 -9.592 1.501 2.681 1.00 0.00 H new ATOM 0 HB3 LYS A 934 -11.079 2.309 2.226 1.00 0.00 H new ATOM 0 HG2 LYS A 934 -9.873 -0.073 0.768 1.00 0.00 H new ATOM 0 HG3 LYS A 934 -11.173 -0.162 1.939 1.00 0.00 H new ATOM 0 HD2 LYS A 934 -12.353 -0.177 -0.064 1.00 0.00 H new ATOM 0 HD3 LYS A 934 -12.411 1.523 0.360 1.00 0.00 H new ATOM 0 HE2 LYS A 934 -10.548 2.016 -1.155 1.00 0.00 H new ATOM 0 HE3 LYS A 934 -10.326 0.312 -1.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 934 -11.557 1.404 -3.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 934 -12.538 0.249 -2.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 934 -12.754 1.900 -2.152 1.00 0.00 H new ATOM 244 N ALA A 935 -7.697 3.561 2.384 1.00 0.00 N ATOM 245 CA ALA A 935 -7.052 4.530 3.258 1.00 0.00 C ATOM 246 C ALA A 935 -6.259 5.571 2.470 1.00 0.00 C ATOM 247 O ALA A 935 -6.064 6.691 2.933 1.00 0.00 O ATOM 248 CB ALA A 935 -6.170 3.822 4.268 1.00 0.00 C ATOM 0 H ALA A 935 -7.210 2.668 2.313 1.00 0.00 H new ATOM 0 HA ALA A 935 -7.835 5.067 3.794 1.00 0.00 H new ATOM 0 HB1 ALA A 935 -5.694 4.559 4.915 1.00 0.00 H new ATOM 0 HB2 ALA A 935 -6.777 3.147 4.872 1.00 0.00 H new ATOM 0 HB3 ALA A 935 -5.404 3.250 3.744 1.00 0.00 H new ATOM 254 N VAL A 936 -5.797 5.216 1.279 1.00 0.00 N ATOM 255 CA VAL A 936 -5.173 6.206 0.416 1.00 0.00 C ATOM 256 C VAL A 936 -6.266 7.036 -0.269 1.00 0.00 C ATOM 257 O VAL A 936 -6.015 8.111 -0.817 1.00 0.00 O ATOM 258 CB VAL A 936 -4.188 5.587 -0.617 1.00 0.00 C ATOM 259 CG1 VAL A 936 -4.899 4.666 -1.590 1.00 0.00 C ATOM 260 CG2 VAL A 936 -3.434 6.669 -1.373 1.00 0.00 C ATOM 0 H VAL A 936 -5.841 4.272 0.896 1.00 0.00 H new ATOM 0 HA VAL A 936 -4.559 6.855 1.040 1.00 0.00 H new ATOM 0 HB VAL A 936 -3.470 4.991 -0.054 1.00 0.00 H new ATOM 0 HG11 VAL A 936 -4.177 4.254 -2.295 1.00 0.00 H new ATOM 0 HG12 VAL A 936 -5.374 3.853 -1.041 1.00 0.00 H new ATOM 0 HG13 VAL A 936 -5.658 5.228 -2.135 1.00 0.00 H new ATOM 0 HG21 VAL A 936 -2.753 6.206 -2.088 1.00 0.00 H new ATOM 0 HG22 VAL A 936 -4.143 7.303 -1.905 1.00 0.00 H new ATOM 0 HG23 VAL A 936 -2.864 7.275 -0.669 1.00 0.00 H new ATOM 270 N ILE A 937 -7.501 6.538 -0.209 1.00 0.00 N ATOM 271 CA ILE A 937 -8.656 7.338 -0.585 1.00 0.00 C ATOM 272 C ILE A 937 -8.866 8.434 0.462 1.00 0.00 C ATOM 273 O ILE A 937 -9.317 9.533 0.144 1.00 0.00 O ATOM 274 CB ILE A 937 -9.943 6.483 -0.738 1.00 0.00 C ATOM 275 CG1 ILE A 937 -9.849 5.587 -1.977 1.00 0.00 C ATOM 276 CG2 ILE A 937 -11.187 7.361 -0.816 1.00 0.00 C ATOM 277 CD1 ILE A 937 -9.669 6.347 -3.277 1.00 0.00 C ATOM 0 H ILE A 937 -7.722 5.590 0.095 1.00 0.00 H new ATOM 0 HA ILE A 937 -8.457 7.782 -1.560 1.00 0.00 H new ATOM 0 HB ILE A 937 -10.029 5.853 0.147 1.00 0.00 H new ATOM 0 HG12 ILE A 937 -9.013 4.899 -1.852 1.00 0.00 H new ATOM 0 HG13 ILE A 937 -10.753 4.982 -2.044 1.00 0.00 H new ATOM 0 HG21 ILE A 937 -12.070 6.732 -0.923 1.00 0.00 H new ATOM 0 HG22 ILE A 937 -11.272 7.954 0.095 1.00 0.00 H new ATOM 0 HG23 ILE A 937 -11.109 8.026 -1.676 1.00 0.00 H new ATOM 0 HD11 ILE A 937 -9.611 5.642 -4.106 1.00 0.00 H new ATOM 0 HD12 ILE A 937 -10.517 7.016 -3.428 1.00 0.00 H new ATOM 0 HD13 ILE A 937 -8.750 6.931 -3.233 1.00 0.00 H new ATOM 289 N GLU A 938 -8.506 8.125 1.708 1.00 0.00 N ATOM 290 CA GLU A 938 -8.536 9.110 2.792 1.00 0.00 C ATOM 291 C GLU A 938 -7.595 10.255 2.476 1.00 0.00 C ATOM 292 O GLU A 938 -7.903 11.419 2.740 1.00 0.00 O ATOM 293 CB GLU A 938 -8.138 8.472 4.120 1.00 0.00 C ATOM 294 CG GLU A 938 -9.038 7.305 4.494 1.00 0.00 C ATOM 295 CD GLU A 938 -8.804 6.790 5.898 1.00 0.00 C ATOM 296 OE1 GLU A 938 -9.393 7.356 6.846 1.00 0.00 O ATOM 297 OE2 GLU A 938 -8.062 5.802 6.057 1.00 0.00 O ATOM 0 H GLU A 938 -8.189 7.198 1.993 1.00 0.00 H new ATOM 0 HA GLU A 938 -9.555 9.488 2.880 1.00 0.00 H new ATOM 0 HB2 GLU A 938 -7.106 8.127 4.059 1.00 0.00 H new ATOM 0 HB3 GLU A 938 -8.177 9.224 4.908 1.00 0.00 H new ATOM 0 HG2 GLU A 938 -10.079 7.613 4.397 1.00 0.00 H new ATOM 0 HG3 GLU A 938 -8.879 6.492 3.786 1.00 0.00 H new ATOM 304 N MET A 939 -6.451 9.903 1.902 1.00 0.00 N ATOM 305 CA MET A 939 -5.508 10.894 1.398 1.00 0.00 C ATOM 306 C MET A 939 -6.218 11.883 0.484 1.00 0.00 C ATOM 307 O MET A 939 -6.089 13.087 0.658 1.00 0.00 O ATOM 308 CB MET A 939 -4.403 10.182 0.608 1.00 0.00 C ATOM 309 CG MET A 939 -3.436 11.118 -0.098 1.00 0.00 C ATOM 310 SD MET A 939 -2.422 10.281 -1.334 1.00 0.00 S ATOM 311 CE MET A 939 -3.649 9.959 -2.597 1.00 0.00 C ATOM 0 H MET A 939 -6.153 8.936 1.774 1.00 0.00 H new ATOM 0 HA MET A 939 -5.078 11.435 2.241 1.00 0.00 H new ATOM 0 HB2 MET A 939 -3.840 9.543 1.289 1.00 0.00 H new ATOM 0 HB3 MET A 939 -4.865 9.530 -0.133 1.00 0.00 H new ATOM 0 HG2 MET A 939 -3.999 11.918 -0.579 1.00 0.00 H new ATOM 0 HG3 MET A 939 -2.786 11.585 0.642 1.00 0.00 H new ATOM 0 HE1 MET A 939 -3.394 9.041 -3.127 1.00 0.00 H new ATOM 0 HE2 MET A 939 -4.629 9.849 -2.133 1.00 0.00 H new ATOM 0 HE3 MET A 939 -3.673 10.790 -3.302 1.00 0.00 H new ATOM 321 N SER A 940 -7.021 11.372 -0.436 1.00 0.00 N ATOM 322 CA SER A 940 -7.778 12.233 -1.335 1.00 0.00 C ATOM 323 C SER A 940 -8.909 12.932 -0.598 1.00 0.00 C ATOM 324 O SER A 940 -9.150 14.111 -0.807 1.00 0.00 O ATOM 325 CB SER A 940 -8.344 11.424 -2.498 1.00 0.00 C ATOM 326 OG SER A 940 -8.959 12.262 -3.461 1.00 0.00 O ATOM 0 H SER A 940 -7.166 10.373 -0.581 1.00 0.00 H new ATOM 0 HA SER A 940 -7.097 12.990 -1.724 1.00 0.00 H new ATOM 0 HB2 SER A 940 -7.544 10.853 -2.969 1.00 0.00 H new ATOM 0 HB3 SER A 940 -9.071 10.704 -2.122 1.00 0.00 H new ATOM 0 HG SER A 940 -9.310 11.715 -4.194 1.00 0.00 H new ATOM 332 N SER A 941 -9.561 12.222 0.306 1.00 0.00 N ATOM 333 CA SER A 941 -10.790 12.713 0.894 1.00 0.00 C ATOM 334 C SER A 941 -10.505 13.861 1.843 1.00 0.00 C ATOM 335 O SER A 941 -11.102 14.936 1.742 1.00 0.00 O ATOM 336 CB SER A 941 -11.517 11.584 1.627 1.00 0.00 C ATOM 337 OG SER A 941 -11.797 10.504 0.748 1.00 0.00 O ATOM 0 H SER A 941 -9.260 11.309 0.646 1.00 0.00 H new ATOM 0 HA SER A 941 -11.433 13.079 0.094 1.00 0.00 H new ATOM 0 HB2 SER A 941 -10.906 11.232 2.458 1.00 0.00 H new ATOM 0 HB3 SER A 941 -12.447 11.961 2.053 1.00 0.00 H new ATOM 0 HG SER A 941 -10.958 10.155 0.381 1.00 0.00 H new ATOM 343 N LYS A 942 -9.571 13.638 2.748 1.00 0.00 N ATOM 344 CA LYS A 942 -9.295 14.598 3.790 1.00 0.00 C ATOM 345 C LYS A 942 -8.353 15.708 3.300 1.00 0.00 C ATOM 346 O LYS A 942 -8.202 16.717 3.978 1.00 0.00 O ATOM 347 CB LYS A 942 -8.765 13.872 5.045 1.00 0.00 C ATOM 348 CG LYS A 942 -7.270 13.661 5.092 1.00 0.00 C ATOM 349 CD LYS A 942 -6.598 14.788 5.848 1.00 0.00 C ATOM 350 CE LYS A 942 -6.984 14.788 7.322 1.00 0.00 C ATOM 351 NZ LYS A 942 -6.539 13.551 8.022 1.00 0.00 N ATOM 0 H LYS A 942 -8.992 12.799 2.779 1.00 0.00 H new ATOM 0 HA LYS A 942 -10.223 15.098 4.066 1.00 0.00 H new ATOM 0 HB2 LYS A 942 -9.062 14.442 5.925 1.00 0.00 H new ATOM 0 HB3 LYS A 942 -9.254 12.900 5.115 1.00 0.00 H new ATOM 0 HG2 LYS A 942 -7.046 12.709 5.573 1.00 0.00 H new ATOM 0 HG3 LYS A 942 -6.872 13.607 4.078 1.00 0.00 H new ATOM 0 HD2 LYS A 942 -5.516 14.694 5.755 1.00 0.00 H new ATOM 0 HD3 LYS A 942 -6.874 15.742 5.400 1.00 0.00 H new ATOM 0 HE2 LYS A 942 -6.544 15.658 7.811 1.00 0.00 H new ATOM 0 HE3 LYS A 942 -8.066 14.885 7.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 942 -6.701 13.653 9.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 942 -7.079 12.737 7.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 942 -5.525 13.398 7.846 1.00 0.00 H new ATOM 365 N ILE A 943 -7.735 15.541 2.119 1.00 0.00 N ATOM 366 CA ILE A 943 -6.833 16.574 1.590 1.00 0.00 C ATOM 367 C ILE A 943 -7.616 17.749 0.999 1.00 0.00 C ATOM 368 O ILE A 943 -7.306 18.907 1.279 1.00 0.00 O ATOM 369 CB ILE A 943 -5.832 16.010 0.531 1.00 0.00 C ATOM 370 CG1 ILE A 943 -4.672 16.992 0.280 1.00 0.00 C ATOM 371 CG2 ILE A 943 -6.524 15.673 -0.787 1.00 0.00 C ATOM 372 CD1 ILE A 943 -4.961 18.072 -0.747 1.00 0.00 C ATOM 0 H ILE A 943 -7.840 14.719 1.524 1.00 0.00 H new ATOM 0 HA ILE A 943 -6.249 16.931 2.438 1.00 0.00 H new ATOM 0 HB ILE A 943 -5.427 15.087 0.945 1.00 0.00 H new ATOM 0 HG12 ILE A 943 -4.408 17.469 1.224 1.00 0.00 H new ATOM 0 HG13 ILE A 943 -3.799 16.426 -0.045 1.00 0.00 H new ATOM 0 HG21 ILE A 943 -5.791 15.284 -1.494 1.00 0.00 H new ATOM 0 HG22 ILE A 943 -7.294 14.921 -0.612 1.00 0.00 H new ATOM 0 HG23 ILE A 943 -6.982 16.573 -1.198 1.00 0.00 H new ATOM 0 HD11 ILE A 943 -4.087 18.714 -0.856 1.00 0.00 H new ATOM 0 HD12 ILE A 943 -5.193 17.609 -1.706 1.00 0.00 H new ATOM 0 HD13 ILE A 943 -5.811 18.669 -0.418 1.00 0.00 H new ATOM 384 N GLN A 944 -8.639 17.447 0.203 1.00 0.00 N ATOM 385 CA GLN A 944 -9.369 18.485 -0.532 1.00 0.00 C ATOM 386 C GLN A 944 -9.997 19.542 0.391 1.00 0.00 C ATOM 387 O GLN A 944 -9.856 20.735 0.123 1.00 0.00 O ATOM 388 CB GLN A 944 -10.425 17.876 -1.474 1.00 0.00 C ATOM 389 CG GLN A 944 -10.658 16.397 -1.264 1.00 0.00 C ATOM 390 CD GLN A 944 -11.685 15.804 -2.204 1.00 0.00 C ATOM 391 OE1 GLN A 944 -11.898 16.291 -3.315 1.00 0.00 O ATOM 392 NE2 GLN A 944 -12.295 14.714 -1.776 1.00 0.00 N ATOM 0 H GLN A 944 -8.982 16.499 0.049 1.00 0.00 H new ATOM 0 HA GLN A 944 -8.628 19.002 -1.141 1.00 0.00 H new ATOM 0 HB2 GLN A 944 -11.368 18.405 -1.336 1.00 0.00 H new ATOM 0 HB3 GLN A 944 -10.115 18.041 -2.506 1.00 0.00 H new ATOM 0 HG2 GLN A 944 -9.714 15.868 -1.391 1.00 0.00 H new ATOM 0 HG3 GLN A 944 -10.981 16.231 -0.236 1.00 0.00 H new ATOM 0 HE21 GLN A 944 -12.088 14.345 -0.848 1.00 0.00 H new ATOM 0 HE22 GLN A 944 -12.973 14.241 -2.373 1.00 0.00 H new ATOM 401 N PRO A 945 -10.692 19.162 1.486 1.00 0.00 N ATOM 402 CA PRO A 945 -11.285 20.144 2.391 1.00 0.00 C ATOM 403 C PRO A 945 -10.334 20.609 3.497 1.00 0.00 C ATOM 404 O PRO A 945 -10.773 21.202 4.483 1.00 0.00 O ATOM 405 CB PRO A 945 -12.451 19.370 2.993 1.00 0.00 C ATOM 406 CG PRO A 945 -11.965 17.963 3.060 1.00 0.00 C ATOM 407 CD PRO A 945 -10.993 17.788 1.919 1.00 0.00 C ATOM 0 HA PRO A 945 -11.559 21.061 1.870 1.00 0.00 H new ATOM 0 HB2 PRO A 945 -12.711 19.748 3.982 1.00 0.00 H new ATOM 0 HB3 PRO A 945 -13.345 19.453 2.375 1.00 0.00 H new ATOM 0 HG2 PRO A 945 -11.480 17.766 4.016 1.00 0.00 H new ATOM 0 HG3 PRO A 945 -12.795 17.262 2.973 1.00 0.00 H new ATOM 0 HD2 PRO A 945 -10.092 17.265 2.240 1.00 0.00 H new ATOM 0 HD3 PRO A 945 -11.430 17.202 1.110 1.00 0.00 H new ATOM 415 N ALA A 946 -9.040 20.357 3.340 1.00 0.00 N ATOM 416 CA ALA A 946 -8.082 20.680 4.392 1.00 0.00 C ATOM 417 C ALA A 946 -6.937 21.560 3.893 1.00 0.00 C ATOM 418 O ALA A 946 -6.611 21.566 2.705 1.00 0.00 O ATOM 419 CB ALA A 946 -7.532 19.403 4.988 1.00 0.00 C ATOM 0 H ALA A 946 -8.633 19.935 2.505 1.00 0.00 H new ATOM 0 HA ALA A 946 -8.614 21.250 5.154 1.00 0.00 H new ATOM 0 HB1 ALA A 946 -6.817 19.647 5.774 1.00 0.00 H new ATOM 0 HB2 ALA A 946 -8.349 18.817 5.410 1.00 0.00 H new ATOM 0 HB3 ALA A 946 -7.034 18.824 4.211 1.00 0.00 H new ATOM 425 N PRO A 947 -6.325 22.337 4.808 1.00 0.00 N ATOM 426 CA PRO A 947 -5.169 23.183 4.497 1.00 0.00 C ATOM 427 C PRO A 947 -3.867 22.374 4.449 1.00 0.00 C ATOM 428 O PRO A 947 -3.871 21.181 4.747 1.00 0.00 O ATOM 429 CB PRO A 947 -5.155 24.170 5.667 1.00 0.00 C ATOM 430 CG PRO A 947 -5.715 23.403 6.811 1.00 0.00 C ATOM 431 CD PRO A 947 -6.728 22.457 6.225 1.00 0.00 C ATOM 0 HA PRO A 947 -5.241 23.659 3.519 1.00 0.00 H new ATOM 0 HB2 PRO A 947 -4.144 24.518 5.880 1.00 0.00 H new ATOM 0 HB3 PRO A 947 -5.757 25.052 5.449 1.00 0.00 H new ATOM 0 HG2 PRO A 947 -4.930 22.858 7.335 1.00 0.00 H new ATOM 0 HG3 PRO A 947 -6.179 24.070 7.537 1.00 0.00 H new ATOM 0 HD2 PRO A 947 -6.710 21.490 6.729 1.00 0.00 H new ATOM 0 HD3 PRO A 947 -7.741 22.847 6.320 1.00 0.00 H new ATOM 439 N PRO A 948 -2.734 23.009 4.077 1.00 0.00 N ATOM 440 CA PRO A 948 -1.421 22.336 3.995 1.00 0.00 C ATOM 441 C PRO A 948 -1.072 21.548 5.254 1.00 0.00 C ATOM 442 O PRO A 948 -0.455 20.465 5.192 1.00 0.00 O ATOM 443 CB PRO A 948 -0.449 23.496 3.832 1.00 0.00 C ATOM 444 CG PRO A 948 -1.239 24.558 3.150 1.00 0.00 C ATOM 445 CD PRO A 948 -2.642 24.428 3.671 1.00 0.00 C ATOM 0 HA PRO A 948 -1.399 21.604 3.187 1.00 0.00 H new ATOM 0 HB2 PRO A 948 -0.076 23.838 4.797 1.00 0.00 H new ATOM 0 HB3 PRO A 948 0.418 23.205 3.239 1.00 0.00 H new ATOM 0 HG2 PRO A 948 -0.833 25.546 3.366 1.00 0.00 H new ATOM 0 HG3 PRO A 948 -1.211 24.431 2.068 1.00 0.00 H new ATOM 0 HD2 PRO A 948 -2.821 25.098 4.512 1.00 0.00 H new ATOM 0 HD3 PRO A 948 -3.378 24.674 2.906 1.00 0.00 H new ATOM 453 N GLU A 949 -1.488 22.091 6.391 1.00 0.00 N ATOM 454 CA GLU A 949 -1.269 21.460 7.679 1.00 0.00 C ATOM 455 C GLU A 949 -1.824 20.047 7.690 1.00 0.00 C ATOM 456 O GLU A 949 -1.345 19.201 8.433 1.00 0.00 O ATOM 457 CB GLU A 949 -1.927 22.273 8.785 1.00 0.00 C ATOM 458 CG GLU A 949 -1.310 23.645 8.984 1.00 0.00 C ATOM 459 CD GLU A 949 -1.930 24.382 10.146 1.00 0.00 C ATOM 460 OE1 GLU A 949 -1.445 24.215 11.285 1.00 0.00 O ATOM 461 OE2 GLU A 949 -2.912 25.121 9.931 1.00 0.00 O ATOM 0 H GLU A 949 -1.986 22.980 6.443 1.00 0.00 H new ATOM 0 HA GLU A 949 -0.194 21.417 7.853 1.00 0.00 H new ATOM 0 HB2 GLU A 949 -2.986 22.391 8.556 1.00 0.00 H new ATOM 0 HB3 GLU A 949 -1.863 21.717 9.720 1.00 0.00 H new ATOM 0 HG2 GLU A 949 -0.238 23.539 9.152 1.00 0.00 H new ATOM 0 HG3 GLU A 949 -1.433 24.233 8.075 1.00 0.00 H new ATOM 468 N GLU A 950 -2.811 19.793 6.838 1.00 0.00 N ATOM 469 CA GLU A 950 -3.432 18.482 6.760 1.00 0.00 C ATOM 470 C GLU A 950 -3.010 17.757 5.496 1.00 0.00 C ATOM 471 O GLU A 950 -3.392 16.609 5.283 1.00 0.00 O ATOM 472 CB GLU A 950 -4.949 18.568 6.793 1.00 0.00 C ATOM 473 CG GLU A 950 -5.514 19.200 8.053 1.00 0.00 C ATOM 474 CD GLU A 950 -5.267 18.360 9.285 1.00 0.00 C ATOM 475 OE1 GLU A 950 -5.817 17.242 9.361 1.00 0.00 O ATOM 476 OE2 GLU A 950 -4.536 18.820 10.186 1.00 0.00 O ATOM 0 H GLU A 950 -3.197 20.481 6.192 1.00 0.00 H new ATOM 0 HA GLU A 950 -3.094 17.927 7.635 1.00 0.00 H new ATOM 0 HB2 GLU A 950 -5.287 19.142 5.930 1.00 0.00 H new ATOM 0 HB3 GLU A 950 -5.360 17.564 6.689 1.00 0.00 H new ATOM 0 HG2 GLU A 950 -5.067 20.184 8.193 1.00 0.00 H new ATOM 0 HG3 GLU A 950 -6.586 19.351 7.930 1.00 0.00 H new ATOM 483 N TYR A 951 -2.230 18.423 4.661 1.00 0.00 N ATOM 484 CA TYR A 951 -1.668 17.773 3.492 1.00 0.00 C ATOM 485 C TYR A 951 -0.784 16.629 3.945 1.00 0.00 C ATOM 486 O TYR A 951 -0.878 15.515 3.446 1.00 0.00 O ATOM 487 CB TYR A 951 -0.851 18.743 2.641 1.00 0.00 C ATOM 488 CG TYR A 951 -1.666 19.720 1.824 1.00 0.00 C ATOM 489 CD1 TYR A 951 -3.044 19.823 1.966 1.00 0.00 C ATOM 490 CD2 TYR A 951 -1.042 20.546 0.902 1.00 0.00 C ATOM 491 CE1 TYR A 951 -3.770 20.725 1.213 1.00 0.00 C ATOM 492 CE2 TYR A 951 -1.756 21.448 0.150 1.00 0.00 C ATOM 493 CZ TYR A 951 -3.121 21.535 0.305 1.00 0.00 C ATOM 494 OH TYR A 951 -3.840 22.434 -0.450 1.00 0.00 O ATOM 0 H TYR A 951 -1.974 19.404 4.770 1.00 0.00 H new ATOM 0 HA TYR A 951 -2.489 17.405 2.877 1.00 0.00 H new ATOM 0 HB2 TYR A 951 -0.187 19.306 3.296 1.00 0.00 H new ATOM 0 HB3 TYR A 951 -0.219 18.166 1.966 1.00 0.00 H new ATOM 0 HD1 TYR A 951 -3.555 19.189 2.675 1.00 0.00 H new ATOM 0 HD2 TYR A 951 0.028 20.479 0.772 1.00 0.00 H new ATOM 0 HE1 TYR A 951 -4.841 20.796 1.335 1.00 0.00 H new ATOM 0 HE2 TYR A 951 -1.249 22.085 -0.559 1.00 0.00 H new ATOM 0 HH TYR A 951 -3.231 22.927 -1.039 1.00 0.00 H new ATOM 504 N VAL A 952 0.074 16.887 4.912 1.00 0.00 N ATOM 505 CA VAL A 952 0.902 15.802 5.429 1.00 0.00 C ATOM 506 C VAL A 952 0.075 14.794 6.270 1.00 0.00 C ATOM 507 O VAL A 952 0.240 13.594 6.105 1.00 0.00 O ATOM 508 CB VAL A 952 2.194 16.292 6.155 1.00 0.00 C ATOM 509 CG1 VAL A 952 1.996 17.643 6.825 1.00 0.00 C ATOM 510 CG2 VAL A 952 2.683 15.264 7.170 1.00 0.00 C ATOM 0 H VAL A 952 0.218 17.799 5.346 1.00 0.00 H new ATOM 0 HA VAL A 952 1.266 15.258 4.557 1.00 0.00 H new ATOM 0 HB VAL A 952 2.958 16.411 5.387 1.00 0.00 H new ATOM 0 HG11 VAL A 952 2.921 17.944 7.317 1.00 0.00 H new ATOM 0 HG12 VAL A 952 1.726 18.386 6.074 1.00 0.00 H new ATOM 0 HG13 VAL A 952 1.199 17.569 7.565 1.00 0.00 H new ATOM 0 HG21 VAL A 952 3.584 15.635 7.658 1.00 0.00 H new ATOM 0 HG22 VAL A 952 1.908 15.094 7.918 1.00 0.00 H new ATOM 0 HG23 VAL A 952 2.906 14.327 6.660 1.00 0.00 H new ATOM 520 N PRO A 953 -0.833 15.224 7.173 1.00 0.00 N ATOM 521 CA PRO A 953 -1.762 14.296 7.843 1.00 0.00 C ATOM 522 C PRO A 953 -2.610 13.433 6.907 1.00 0.00 C ATOM 523 O PRO A 953 -3.003 12.334 7.288 1.00 0.00 O ATOM 524 CB PRO A 953 -2.673 15.209 8.638 1.00 0.00 C ATOM 525 CG PRO A 953 -1.824 16.384 8.931 1.00 0.00 C ATOM 526 CD PRO A 953 -0.961 16.574 7.713 1.00 0.00 C ATOM 0 HA PRO A 953 -1.194 13.574 8.429 1.00 0.00 H new ATOM 0 HB2 PRO A 953 -3.558 15.487 8.066 1.00 0.00 H new ATOM 0 HB3 PRO A 953 -3.022 14.729 9.552 1.00 0.00 H new ATOM 0 HG2 PRO A 953 -2.432 17.268 9.123 1.00 0.00 H new ATOM 0 HG3 PRO A 953 -1.216 16.216 9.820 1.00 0.00 H new ATOM 0 HD2 PRO A 953 -1.423 17.251 6.995 1.00 0.00 H new ATOM 0 HD3 PRO A 953 0.010 16.997 7.971 1.00 0.00 H new ATOM 534 N MET A 954 -2.936 13.911 5.710 1.00 0.00 N ATOM 535 CA MET A 954 -3.715 13.086 4.791 1.00 0.00 C ATOM 536 C MET A 954 -2.835 11.970 4.231 1.00 0.00 C ATOM 537 O MET A 954 -3.292 10.851 3.951 1.00 0.00 O ATOM 538 CB MET A 954 -4.375 13.912 3.670 1.00 0.00 C ATOM 539 CG MET A 954 -3.438 14.662 2.748 1.00 0.00 C ATOM 540 SD MET A 954 -2.639 13.602 1.536 1.00 0.00 S ATOM 541 CE MET A 954 -2.040 14.817 0.374 1.00 0.00 C ATOM 0 H MET A 954 -2.683 14.835 5.360 1.00 0.00 H new ATOM 0 HA MET A 954 -4.536 12.639 5.351 1.00 0.00 H new ATOM 0 HB2 MET A 954 -4.986 13.241 3.065 1.00 0.00 H new ATOM 0 HB3 MET A 954 -5.052 14.632 4.129 1.00 0.00 H new ATOM 0 HG2 MET A 954 -3.996 15.441 2.228 1.00 0.00 H new ATOM 0 HG3 MET A 954 -2.674 15.161 3.344 1.00 0.00 H new ATOM 0 HE1 MET A 954 -2.633 14.770 -0.539 1.00 0.00 H new ATOM 0 HE2 MET A 954 -2.125 15.812 0.811 1.00 0.00 H new ATOM 0 HE3 MET A 954 -0.996 14.612 0.139 1.00 0.00 H new ATOM 551 N VAL A 955 -1.546 12.257 4.108 1.00 0.00 N ATOM 552 CA VAL A 955 -0.615 11.227 3.701 1.00 0.00 C ATOM 553 C VAL A 955 -0.442 10.236 4.843 1.00 0.00 C ATOM 554 O VAL A 955 -0.112 9.070 4.628 1.00 0.00 O ATOM 555 CB VAL A 955 0.766 11.758 3.224 1.00 0.00 C ATOM 556 CG1 VAL A 955 1.754 11.892 4.370 1.00 0.00 C ATOM 557 CG2 VAL A 955 1.306 10.844 2.145 1.00 0.00 C ATOM 0 H VAL A 955 -1.133 13.174 4.281 1.00 0.00 H new ATOM 0 HA VAL A 955 -1.048 10.741 2.826 1.00 0.00 H new ATOM 0 HB VAL A 955 0.627 12.760 2.817 1.00 0.00 H new ATOM 0 HG11 VAL A 955 2.704 12.266 3.989 1.00 0.00 H new ATOM 0 HG12 VAL A 955 1.360 12.588 5.110 1.00 0.00 H new ATOM 0 HG13 VAL A 955 1.907 10.918 4.834 1.00 0.00 H new ATOM 0 HG21 VAL A 955 2.275 11.212 1.807 1.00 0.00 H new ATOM 0 HG22 VAL A 955 1.420 9.837 2.545 1.00 0.00 H new ATOM 0 HG23 VAL A 955 0.612 10.824 1.304 1.00 0.00 H new ATOM 567 N LYS A 956 -0.665 10.717 6.066 1.00 0.00 N ATOM 568 CA LYS A 956 -0.636 9.853 7.241 1.00 0.00 C ATOM 569 C LYS A 956 -1.653 8.730 7.100 1.00 0.00 C ATOM 570 O LYS A 956 -1.407 7.603 7.530 1.00 0.00 O ATOM 571 CB LYS A 956 -0.944 10.625 8.518 1.00 0.00 C ATOM 572 CG LYS A 956 0.173 11.525 9.006 1.00 0.00 C ATOM 573 CD LYS A 956 0.021 11.864 10.490 1.00 0.00 C ATOM 574 CE LYS A 956 -1.255 12.643 10.807 1.00 0.00 C ATOM 575 NZ LYS A 956 -2.483 11.792 10.800 1.00 0.00 N ATOM 0 H LYS A 956 -0.867 11.697 6.266 1.00 0.00 H new ATOM 0 HA LYS A 956 0.372 9.444 7.309 1.00 0.00 H new ATOM 0 HB2 LYS A 956 -1.834 11.232 8.352 1.00 0.00 H new ATOM 0 HB3 LYS A 956 -1.187 9.912 9.306 1.00 0.00 H new ATOM 0 HG2 LYS A 956 1.133 11.035 8.841 1.00 0.00 H new ATOM 0 HG3 LYS A 956 0.180 12.445 8.422 1.00 0.00 H new ATOM 0 HD2 LYS A 956 0.027 10.940 11.069 1.00 0.00 H new ATOM 0 HD3 LYS A 956 0.884 12.447 10.812 1.00 0.00 H new ATOM 0 HE2 LYS A 956 -1.152 13.113 11.785 1.00 0.00 H new ATOM 0 HE3 LYS A 956 -1.373 13.445 10.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 956 -3.106 12.075 11.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 956 -2.985 11.914 9.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 956 -2.214 10.794 10.915 1.00 0.00 H new ATOM 589 N GLU A 957 -2.811 9.061 6.536 1.00 0.00 N ATOM 590 CA GLU A 957 -3.845 8.069 6.263 1.00 0.00 C ATOM 591 C GLU A 957 -3.268 6.947 5.406 1.00 0.00 C ATOM 592 O GLU A 957 -3.465 5.767 5.699 1.00 0.00 O ATOM 593 CB GLU A 957 -5.034 8.707 5.540 1.00 0.00 C ATOM 594 CG GLU A 957 -5.336 10.140 5.962 1.00 0.00 C ATOM 595 CD GLU A 957 -5.814 10.284 7.393 1.00 0.00 C ATOM 596 OE1 GLU A 957 -5.105 9.841 8.321 1.00 0.00 O ATOM 597 OE2 GLU A 957 -6.888 10.886 7.594 1.00 0.00 O ATOM 0 H GLU A 957 -3.057 10.011 6.259 1.00 0.00 H new ATOM 0 HA GLU A 957 -4.193 7.664 7.213 1.00 0.00 H new ATOM 0 HB2 GLU A 957 -4.842 8.691 4.467 1.00 0.00 H new ATOM 0 HB3 GLU A 957 -5.920 8.096 5.715 1.00 0.00 H new ATOM 0 HG2 GLU A 957 -4.437 10.742 5.830 1.00 0.00 H new ATOM 0 HG3 GLU A 957 -6.095 10.550 5.295 1.00 0.00 H new ATOM 604 N VAL A 958 -2.529 7.319 4.360 1.00 0.00 N ATOM 605 CA VAL A 958 -1.850 6.322 3.527 1.00 0.00 C ATOM 606 C VAL A 958 -0.768 5.590 4.328 1.00 0.00 C ATOM 607 O VAL A 958 -0.496 4.409 4.097 1.00 0.00 O ATOM 608 CB VAL A 958 -1.190 6.939 2.277 1.00 0.00 C ATOM 609 CG1 VAL A 958 -0.995 5.877 1.206 1.00 0.00 C ATOM 610 CG2 VAL A 958 -2.001 8.106 1.744 1.00 0.00 C ATOM 0 H VAL A 958 -2.386 8.287 4.071 1.00 0.00 H new ATOM 0 HA VAL A 958 -2.624 5.627 3.203 1.00 0.00 H new ATOM 0 HB VAL A 958 -0.212 7.325 2.564 1.00 0.00 H new ATOM 0 HG11 VAL A 958 -0.528 6.326 0.329 1.00 0.00 H new ATOM 0 HG12 VAL A 958 -0.354 5.084 1.592 1.00 0.00 H new ATOM 0 HG13 VAL A 958 -1.962 5.459 0.928 1.00 0.00 H new ATOM 0 HG21 VAL A 958 -1.509 8.519 0.863 1.00 0.00 H new ATOM 0 HG22 VAL A 958 -3.000 7.762 1.474 1.00 0.00 H new ATOM 0 HG23 VAL A 958 -2.077 8.876 2.511 1.00 0.00 H new ATOM 620 N GLY A 959 -0.148 6.301 5.265 1.00 0.00 N ATOM 621 CA GLY A 959 0.864 5.700 6.118 1.00 0.00 C ATOM 622 C GLY A 959 0.281 4.621 7.007 1.00 0.00 C ATOM 623 O GLY A 959 0.874 3.560 7.184 1.00 0.00 O ATOM 0 H GLY A 959 -0.329 7.288 5.450 1.00 0.00 H new ATOM 0 HA2 GLY A 959 1.654 5.274 5.500 1.00 0.00 H new ATOM 0 HA3 GLY A 959 1.323 6.471 6.736 1.00 0.00 H new ATOM 627 N LEU A 960 -0.894 4.887 7.554 1.00 0.00 N ATOM 628 CA LEU A 960 -1.595 3.907 8.367 1.00 0.00 C ATOM 629 C LEU A 960 -2.072 2.758 7.487 1.00 0.00 C ATOM 630 O LEU A 960 -2.128 1.601 7.918 1.00 0.00 O ATOM 631 CB LEU A 960 -2.783 4.567 9.071 1.00 0.00 C ATOM 632 CG LEU A 960 -3.616 3.646 9.963 1.00 0.00 C ATOM 633 CD1 LEU A 960 -2.771 3.078 11.095 1.00 0.00 C ATOM 634 CD2 LEU A 960 -4.815 4.395 10.519 1.00 0.00 C ATOM 0 H LEU A 960 -1.383 5.776 7.449 1.00 0.00 H new ATOM 0 HA LEU A 960 -0.916 3.514 9.124 1.00 0.00 H new ATOM 0 HB2 LEU A 960 -2.410 5.392 9.678 1.00 0.00 H new ATOM 0 HB3 LEU A 960 -3.437 4.999 8.314 1.00 0.00 H new ATOM 0 HG LEU A 960 -3.974 2.814 9.357 1.00 0.00 H new ATOM 0 HD11 LEU A 960 -3.385 2.426 11.716 1.00 0.00 H new ATOM 0 HD12 LEU A 960 -1.942 2.506 10.678 1.00 0.00 H new ATOM 0 HD13 LEU A 960 -2.380 3.894 11.702 1.00 0.00 H new ATOM 0 HD21 LEU A 960 -5.399 3.727 11.152 1.00 0.00 H new ATOM 0 HD22 LEU A 960 -4.472 5.246 11.108 1.00 0.00 H new ATOM 0 HD23 LEU A 960 -5.436 4.750 9.696 1.00 0.00 H new ATOM 646 N ALA A 961 -2.416 3.108 6.254 1.00 0.00 N ATOM 647 CA ALA A 961 -2.839 2.137 5.253 1.00 0.00 C ATOM 648 C ALA A 961 -1.819 1.018 5.085 1.00 0.00 C ATOM 649 O ALA A 961 -2.150 -0.154 5.265 1.00 0.00 O ATOM 650 CB ALA A 961 -3.073 2.825 3.920 1.00 0.00 C ATOM 0 H ALA A 961 -2.410 4.072 5.920 1.00 0.00 H new ATOM 0 HA ALA A 961 -3.771 1.692 5.602 1.00 0.00 H new ATOM 0 HB1 ALA A 961 -3.389 2.089 3.181 1.00 0.00 H new ATOM 0 HB2 ALA A 961 -3.849 3.582 4.033 1.00 0.00 H new ATOM 0 HB3 ALA A 961 -2.149 3.299 3.588 1.00 0.00 H new ATOM 656 N LEU A 962 -0.576 1.369 4.760 1.00 0.00 N ATOM 657 CA LEU A 962 0.450 0.352 4.572 1.00 0.00 C ATOM 658 C LEU A 962 0.921 -0.229 5.912 1.00 0.00 C ATOM 659 O LEU A 962 1.461 -1.334 5.955 1.00 0.00 O ATOM 660 CB LEU A 962 1.634 0.902 3.756 1.00 0.00 C ATOM 661 CG LEU A 962 2.976 0.987 4.499 1.00 0.00 C ATOM 662 CD1 LEU A 962 4.125 1.038 3.510 1.00 0.00 C ATOM 663 CD2 LEU A 962 3.021 2.207 5.405 1.00 0.00 C ATOM 0 H LEU A 962 -0.262 2.330 4.624 1.00 0.00 H new ATOM 0 HA LEU A 962 0.002 -0.463 4.003 1.00 0.00 H new ATOM 0 HB2 LEU A 962 1.767 0.274 2.875 1.00 0.00 H new ATOM 0 HB3 LEU A 962 1.374 1.899 3.400 1.00 0.00 H new ATOM 0 HG LEU A 962 3.075 0.094 5.116 1.00 0.00 H new ATOM 0 HD11 LEU A 962 5.069 1.098 4.052 1.00 0.00 H new ATOM 0 HD12 LEU A 962 4.116 0.138 2.895 1.00 0.00 H new ATOM 0 HD13 LEU A 962 4.017 1.915 2.871 1.00 0.00 H new ATOM 0 HD21 LEU A 962 3.982 2.243 5.919 1.00 0.00 H new ATOM 0 HD22 LEU A 962 2.895 3.109 4.807 1.00 0.00 H new ATOM 0 HD23 LEU A 962 2.218 2.144 6.140 1.00 0.00 H new ATOM 675 N ARG A 963 0.709 0.503 7.006 1.00 0.00 N ATOM 676 CA ARG A 963 1.117 0.024 8.328 1.00 0.00 C ATOM 677 C ARG A 963 0.221 -1.129 8.774 1.00 0.00 C ATOM 678 O ARG A 963 0.706 -2.206 9.127 1.00 0.00 O ATOM 679 CB ARG A 963 1.074 1.157 9.360 1.00 0.00 C ATOM 680 CG ARG A 963 2.265 1.166 10.311 1.00 0.00 C ATOM 681 CD ARG A 963 2.361 -0.116 11.128 1.00 0.00 C ATOM 682 NE ARG A 963 3.587 -0.162 11.927 1.00 0.00 N ATOM 683 CZ ARG A 963 3.893 -1.137 12.781 1.00 0.00 C ATOM 684 NH1 ARG A 963 3.076 -2.170 12.945 1.00 0.00 N ATOM 685 NH2 ARG A 963 5.030 -1.082 13.465 1.00 0.00 N ATOM 0 H ARG A 963 0.262 1.420 7.005 1.00 0.00 H new ATOM 0 HA ARG A 963 2.144 -0.334 8.256 1.00 0.00 H new ATOM 0 HB2 ARG A 963 1.032 2.112 8.836 1.00 0.00 H new ATOM 0 HB3 ARG A 963 0.156 1.072 9.942 1.00 0.00 H new ATOM 0 HG2 ARG A 963 3.183 1.299 9.739 1.00 0.00 H new ATOM 0 HG3 ARG A 963 2.183 2.019 10.985 1.00 0.00 H new ATOM 0 HD2 ARG A 963 1.495 -0.193 11.786 1.00 0.00 H new ATOM 0 HD3 ARG A 963 2.331 -0.976 10.459 1.00 0.00 H new ATOM 0 HE ARG A 963 4.252 0.605 11.822 1.00 0.00 H new ATOM 0 HH11 ARG A 963 2.206 -2.221 12.415 1.00 0.00 H new ATOM 0 HH12 ARG A 963 3.318 -2.912 13.601 1.00 0.00 H new ATOM 0 HH21 ARG A 963 5.666 -0.295 13.335 1.00 0.00 H new ATOM 0 HH22 ARG A 963 5.268 -1.827 14.120 1.00 0.00 H new ATOM 699 N THR A 964 -1.087 -0.904 8.760 1.00 0.00 N ATOM 700 CA THR A 964 -2.046 -1.969 9.035 1.00 0.00 C ATOM 701 C THR A 964 -1.844 -3.109 8.034 1.00 0.00 C ATOM 702 O THR A 964 -2.096 -4.279 8.321 1.00 0.00 O ATOM 703 CB THR A 964 -3.496 -1.446 8.943 1.00 0.00 C ATOM 704 OG1 THR A 964 -3.605 -0.188 9.628 1.00 0.00 O ATOM 705 CG2 THR A 964 -4.476 -2.438 9.554 1.00 0.00 C ATOM 0 H THR A 964 -1.508 0.004 8.562 1.00 0.00 H new ATOM 0 HA THR A 964 -1.878 -2.333 10.049 1.00 0.00 H new ATOM 0 HB THR A 964 -3.743 -1.317 7.889 1.00 0.00 H new ATOM 0 HG1 THR A 964 -3.269 0.529 9.051 1.00 0.00 H new ATOM 0 HG21 THR A 964 -5.489 -2.044 9.475 1.00 0.00 H new ATOM 0 HG22 THR A 964 -4.413 -3.387 9.021 1.00 0.00 H new ATOM 0 HG23 THR A 964 -4.228 -2.595 10.604 1.00 0.00 H new ATOM 713 N LEU A 965 -1.347 -2.743 6.861 1.00 0.00 N ATOM 714 CA LEU A 965 -1.062 -3.710 5.818 1.00 0.00 C ATOM 715 C LEU A 965 0.142 -4.570 6.188 1.00 0.00 C ATOM 716 O LEU A 965 0.173 -5.756 5.881 1.00 0.00 O ATOM 717 CB LEU A 965 -0.839 -3.011 4.482 1.00 0.00 C ATOM 718 CG LEU A 965 -0.667 -3.949 3.297 1.00 0.00 C ATOM 719 CD1 LEU A 965 -1.767 -4.996 3.299 1.00 0.00 C ATOM 720 CD2 LEU A 965 -0.688 -3.164 1.997 1.00 0.00 C ATOM 0 H LEU A 965 -1.133 -1.778 6.610 1.00 0.00 H new ATOM 0 HA LEU A 965 -1.926 -4.366 5.718 1.00 0.00 H new ATOM 0 HB2 LEU A 965 -1.684 -2.351 4.287 1.00 0.00 H new ATOM 0 HB3 LEU A 965 0.046 -2.380 4.560 1.00 0.00 H new ATOM 0 HG LEU A 965 0.296 -4.452 3.383 1.00 0.00 H new ATOM 0 HD11 LEU A 965 -1.636 -5.663 2.447 1.00 0.00 H new ATOM 0 HD12 LEU A 965 -1.719 -5.573 4.223 1.00 0.00 H new ATOM 0 HD13 LEU A 965 -2.737 -4.504 3.229 1.00 0.00 H new ATOM 0 HD21 LEU A 965 -0.564 -3.848 1.157 1.00 0.00 H new ATOM 0 HD22 LEU A 965 -1.640 -2.642 1.902 1.00 0.00 H new ATOM 0 HD23 LEU A 965 0.125 -2.438 1.997 1.00 0.00 H new ATOM 732 N LEU A 966 1.135 -3.960 6.828 1.00 0.00 N ATOM 733 CA LEU A 966 2.268 -4.699 7.391 1.00 0.00 C ATOM 734 C LEU A 966 1.783 -5.858 8.266 1.00 0.00 C ATOM 735 O LEU A 966 2.425 -6.911 8.320 1.00 0.00 O ATOM 736 CB LEU A 966 3.175 -3.744 8.189 1.00 0.00 C ATOM 737 CG LEU A 966 4.444 -4.355 8.800 1.00 0.00 C ATOM 738 CD1 LEU A 966 5.538 -3.302 8.894 1.00 0.00 C ATOM 739 CD2 LEU A 966 4.165 -4.923 10.186 1.00 0.00 C ATOM 0 H LEU A 966 1.181 -2.951 6.972 1.00 0.00 H new ATOM 0 HA LEU A 966 2.849 -5.125 6.573 1.00 0.00 H new ATOM 0 HB2 LEU A 966 3.472 -2.927 7.532 1.00 0.00 H new ATOM 0 HB3 LEU A 966 2.585 -3.307 8.994 1.00 0.00 H new ATOM 0 HG LEU A 966 4.773 -5.167 8.151 1.00 0.00 H new ATOM 0 HD11 LEU A 966 6.434 -3.746 9.329 1.00 0.00 H new ATOM 0 HD12 LEU A 966 5.767 -2.925 7.897 1.00 0.00 H new ATOM 0 HD13 LEU A 966 5.198 -2.480 9.524 1.00 0.00 H new ATOM 0 HD21 LEU A 966 5.081 -5.349 10.596 1.00 0.00 H new ATOM 0 HD22 LEU A 966 3.811 -4.127 10.841 1.00 0.00 H new ATOM 0 HD23 LEU A 966 3.404 -5.700 10.114 1.00 0.00 H new ATOM 751 N ALA A 967 0.649 -5.670 8.940 1.00 0.00 N ATOM 752 CA ALA A 967 0.032 -6.757 9.699 1.00 0.00 C ATOM 753 C ALA A 967 -0.371 -7.899 8.764 1.00 0.00 C ATOM 754 O ALA A 967 -0.056 -9.067 9.019 1.00 0.00 O ATOM 755 CB ALA A 967 -1.169 -6.256 10.485 1.00 0.00 C ATOM 0 H ALA A 967 0.143 -4.785 8.976 1.00 0.00 H new ATOM 0 HA ALA A 967 0.765 -7.136 10.411 1.00 0.00 H new ATOM 0 HB1 ALA A 967 -1.611 -7.083 11.041 1.00 0.00 H new ATOM 0 HB2 ALA A 967 -0.850 -5.480 11.181 1.00 0.00 H new ATOM 0 HB3 ALA A 967 -1.908 -5.845 9.797 1.00 0.00 H new ATOM 761 N THR A 968 -1.056 -7.560 7.676 1.00 0.00 N ATOM 762 CA THR A 968 -1.375 -8.529 6.635 1.00 0.00 C ATOM 763 C THR A 968 -0.106 -9.163 6.057 1.00 0.00 C ATOM 764 O THR A 968 -0.039 -10.380 5.870 1.00 0.00 O ATOM 765 CB THR A 968 -2.185 -7.858 5.508 1.00 0.00 C ATOM 766 OG1 THR A 968 -3.551 -7.719 5.910 1.00 0.00 O ATOM 767 CG2 THR A 968 -2.106 -8.643 4.210 1.00 0.00 C ATOM 0 H THR A 968 -1.401 -6.618 7.493 1.00 0.00 H new ATOM 0 HA THR A 968 -1.975 -9.318 7.088 1.00 0.00 H new ATOM 0 HB THR A 968 -1.751 -6.875 5.327 1.00 0.00 H new ATOM 0 HG1 THR A 968 -4.134 -8.124 5.234 1.00 0.00 H new ATOM 0 HG21 THR A 968 -2.690 -8.136 3.442 1.00 0.00 H new ATOM 0 HG22 THR A 968 -1.067 -8.712 3.889 1.00 0.00 H new ATOM 0 HG23 THR A 968 -2.504 -9.645 4.366 1.00 0.00 H new ATOM 775 N VAL A 969 0.885 -8.331 5.755 1.00 0.00 N ATOM 776 CA VAL A 969 2.187 -8.806 5.298 1.00 0.00 C ATOM 777 C VAL A 969 2.779 -9.849 6.244 1.00 0.00 C ATOM 778 O VAL A 969 3.509 -10.733 5.810 1.00 0.00 O ATOM 779 CB VAL A 969 3.180 -7.630 5.137 1.00 0.00 C ATOM 780 CG1 VAL A 969 4.568 -8.125 4.753 1.00 0.00 C ATOM 781 CG2 VAL A 969 2.665 -6.639 4.103 1.00 0.00 C ATOM 0 H VAL A 969 0.810 -7.316 5.819 1.00 0.00 H new ATOM 0 HA VAL A 969 2.027 -9.277 4.328 1.00 0.00 H new ATOM 0 HB VAL A 969 3.260 -7.125 6.100 1.00 0.00 H new ATOM 0 HG11 VAL A 969 5.241 -7.274 4.648 1.00 0.00 H new ATOM 0 HG12 VAL A 969 4.944 -8.792 5.529 1.00 0.00 H new ATOM 0 HG13 VAL A 969 4.513 -8.664 3.807 1.00 0.00 H new ATOM 0 HG21 VAL A 969 3.374 -5.818 4.001 1.00 0.00 H new ATOM 0 HG22 VAL A 969 2.551 -7.142 3.142 1.00 0.00 H new ATOM 0 HG23 VAL A 969 1.700 -6.247 4.424 1.00 0.00 H new ATOM 791 N ASP A 970 2.463 -9.759 7.526 1.00 0.00 N ATOM 792 CA ASP A 970 2.956 -10.735 8.492 1.00 0.00 C ATOM 793 C ASP A 970 2.283 -12.083 8.306 1.00 0.00 C ATOM 794 O ASP A 970 2.886 -13.108 8.576 1.00 0.00 O ATOM 795 CB ASP A 970 2.766 -10.227 9.923 1.00 0.00 C ATOM 796 CG ASP A 970 3.327 -11.174 10.965 1.00 0.00 C ATOM 797 OD1 ASP A 970 4.545 -11.111 11.234 1.00 0.00 O ATOM 798 OD2 ASP A 970 2.554 -11.973 11.531 1.00 0.00 O ATOM 0 H ASP A 970 1.873 -9.028 7.922 1.00 0.00 H new ATOM 0 HA ASP A 970 4.023 -10.868 8.315 1.00 0.00 H new ATOM 0 HB2 ASP A 970 3.249 -9.255 10.025 1.00 0.00 H new ATOM 0 HB3 ASP A 970 1.703 -10.076 10.111 1.00 0.00 H new ATOM 803 N GLU A 971 1.053 -12.086 7.818 1.00 0.00 N ATOM 804 CA GLU A 971 0.391 -13.338 7.461 1.00 0.00 C ATOM 805 C GLU A 971 1.135 -13.979 6.287 1.00 0.00 C ATOM 806 O GLU A 971 1.594 -15.129 6.337 1.00 0.00 O ATOM 807 CB GLU A 971 -1.063 -13.073 7.062 1.00 0.00 C ATOM 808 CG GLU A 971 -1.832 -12.228 8.062 1.00 0.00 C ATOM 809 CD GLU A 971 -2.065 -12.938 9.380 1.00 0.00 C ATOM 810 OE1 GLU A 971 -2.722 -14.004 9.379 1.00 0.00 O ATOM 811 OE2 GLU A 971 -1.593 -12.434 10.423 1.00 0.00 O ATOM 0 H GLU A 971 0.495 -11.247 7.660 1.00 0.00 H new ATOM 0 HA GLU A 971 0.402 -14.009 8.320 1.00 0.00 H new ATOM 0 HB2 GLU A 971 -1.078 -12.575 6.093 1.00 0.00 H new ATOM 0 HB3 GLU A 971 -1.575 -14.027 6.938 1.00 0.00 H new ATOM 0 HG2 GLU A 971 -1.285 -11.303 8.245 1.00 0.00 H new ATOM 0 HG3 GLU A 971 -2.793 -11.949 7.631 1.00 0.00 H new ATOM 818 N SER A 972 1.238 -13.221 5.211 1.00 0.00 N ATOM 819 CA SER A 972 2.007 -13.605 4.057 1.00 0.00 C ATOM 820 C SER A 972 3.485 -13.862 4.378 1.00 0.00 C ATOM 821 O SER A 972 4.167 -14.521 3.611 1.00 0.00 O ATOM 822 CB SER A 972 1.835 -12.539 2.987 1.00 0.00 C ATOM 823 OG SER A 972 2.174 -11.257 3.480 1.00 0.00 O ATOM 0 H SER A 972 0.783 -12.313 5.119 1.00 0.00 H new ATOM 0 HA SER A 972 1.630 -14.560 3.690 1.00 0.00 H new ATOM 0 HB2 SER A 972 2.462 -12.778 2.128 1.00 0.00 H new ATOM 0 HB3 SER A 972 0.803 -12.535 2.637 1.00 0.00 H new ATOM 0 HG SER A 972 2.703 -11.351 4.300 1.00 0.00 H new ATOM 829 N LEU A 973 3.999 -13.292 5.461 1.00 0.00 N ATOM 830 CA LEU A 973 5.406 -13.478 5.814 1.00 0.00 C ATOM 831 C LEU A 973 5.759 -14.969 5.965 1.00 0.00 C ATOM 832 O LEU A 973 6.686 -15.426 5.306 1.00 0.00 O ATOM 833 CB LEU A 973 5.771 -12.690 7.078 1.00 0.00 C ATOM 834 CG LEU A 973 7.254 -12.717 7.460 1.00 0.00 C ATOM 835 CD1 LEU A 973 8.111 -12.134 6.343 1.00 0.00 C ATOM 836 CD2 LEU A 973 7.479 -11.953 8.754 1.00 0.00 C ATOM 0 H LEU A 973 3.472 -12.703 6.105 1.00 0.00 H new ATOM 0 HA LEU A 973 6.003 -13.083 4.992 1.00 0.00 H new ATOM 0 HB2 LEU A 973 5.467 -11.652 6.940 1.00 0.00 H new ATOM 0 HB3 LEU A 973 5.191 -13.084 7.912 1.00 0.00 H new ATOM 0 HG LEU A 973 7.550 -13.755 7.610 1.00 0.00 H new ATOM 0 HD11 LEU A 973 9.160 -12.163 6.636 1.00 0.00 H new ATOM 0 HD12 LEU A 973 7.972 -12.720 5.434 1.00 0.00 H new ATOM 0 HD13 LEU A 973 7.815 -11.101 6.158 1.00 0.00 H new ATOM 0 HD21 LEU A 973 8.537 -11.980 9.013 1.00 0.00 H new ATOM 0 HD22 LEU A 973 7.164 -10.918 8.625 1.00 0.00 H new ATOM 0 HD23 LEU A 973 6.897 -12.412 9.553 1.00 0.00 H new ATOM 848 N PRO A 974 5.045 -15.766 6.804 1.00 0.00 N ATOM 849 CA PRO A 974 5.190 -17.231 6.786 1.00 0.00 C ATOM 850 C PRO A 974 4.879 -17.811 5.408 1.00 0.00 C ATOM 851 O PRO A 974 5.347 -18.896 5.045 1.00 0.00 O ATOM 852 CB PRO A 974 4.163 -17.716 7.810 1.00 0.00 C ATOM 853 CG PRO A 974 3.988 -16.562 8.726 1.00 0.00 C ATOM 854 CD PRO A 974 4.129 -15.343 7.863 1.00 0.00 C ATOM 0 HA PRO A 974 6.209 -17.543 7.017 1.00 0.00 H new ATOM 0 HB2 PRO A 974 3.223 -17.991 7.332 1.00 0.00 H new ATOM 0 HB3 PRO A 974 4.519 -18.597 8.344 1.00 0.00 H new ATOM 0 HG2 PRO A 974 3.012 -16.590 9.210 1.00 0.00 H new ATOM 0 HG3 PRO A 974 4.737 -16.572 9.518 1.00 0.00 H new ATOM 0 HD2 PRO A 974 3.168 -15.027 7.457 1.00 0.00 H new ATOM 0 HD3 PRO A 974 4.530 -14.500 8.425 1.00 0.00 H new ATOM 862 N VAL A 975 4.097 -17.077 4.630 1.00 0.00 N ATOM 863 CA VAL A 975 3.820 -17.490 3.250 1.00 0.00 C ATOM 864 C VAL A 975 5.038 -17.231 2.347 1.00 0.00 C ATOM 865 O VAL A 975 5.135 -17.769 1.246 1.00 0.00 O ATOM 866 CB VAL A 975 2.574 -16.782 2.685 1.00 0.00 C ATOM 867 CG1 VAL A 975 2.251 -17.295 1.296 1.00 0.00 C ATOM 868 CG2 VAL A 975 1.387 -16.980 3.611 1.00 0.00 C ATOM 0 H VAL A 975 3.648 -16.208 4.917 1.00 0.00 H new ATOM 0 HA VAL A 975 3.618 -18.561 3.265 1.00 0.00 H new ATOM 0 HB VAL A 975 2.788 -15.715 2.616 1.00 0.00 H new ATOM 0 HG11 VAL A 975 1.368 -16.782 0.915 1.00 0.00 H new ATOM 0 HG12 VAL A 975 3.095 -17.105 0.633 1.00 0.00 H new ATOM 0 HG13 VAL A 975 2.058 -18.367 1.340 1.00 0.00 H new ATOM 0 HG21 VAL A 975 0.515 -16.474 3.198 1.00 0.00 H new ATOM 0 HG22 VAL A 975 1.176 -18.045 3.709 1.00 0.00 H new ATOM 0 HG23 VAL A 975 1.617 -16.564 4.592 1.00 0.00 H new ATOM 878 N LEU A 976 5.971 -16.412 2.817 1.00 0.00 N ATOM 879 CA LEU A 976 7.208 -16.144 2.082 1.00 0.00 C ATOM 880 C LEU A 976 8.118 -17.374 2.041 1.00 0.00 C ATOM 881 O LEU A 976 8.607 -17.719 0.964 1.00 0.00 O ATOM 882 CB LEU A 976 7.924 -14.890 2.628 1.00 0.00 C ATOM 883 CG LEU A 976 9.416 -14.728 2.294 1.00 0.00 C ATOM 884 CD1 LEU A 976 9.775 -13.252 2.209 1.00 0.00 C ATOM 885 CD2 LEU A 976 10.292 -15.396 3.346 1.00 0.00 C ATOM 0 H LEU A 976 5.897 -15.919 3.707 1.00 0.00 H new ATOM 0 HA LEU A 976 6.942 -15.926 1.048 1.00 0.00 H new ATOM 0 HB2 LEU A 976 7.398 -14.012 2.255 1.00 0.00 H new ATOM 0 HB3 LEU A 976 7.819 -14.887 3.713 1.00 0.00 H new ATOM 0 HG LEU A 976 9.596 -15.209 1.333 1.00 0.00 H new ATOM 0 HD11 LEU A 976 10.834 -13.148 1.972 1.00 0.00 H new ATOM 0 HD12 LEU A 976 9.180 -12.777 1.429 1.00 0.00 H new ATOM 0 HD13 LEU A 976 9.568 -12.772 3.165 1.00 0.00 H new ATOM 0 HD21 LEU A 976 11.341 -15.265 3.082 1.00 0.00 H new ATOM 0 HD22 LEU A 976 10.103 -14.942 4.319 1.00 0.00 H new ATOM 0 HD23 LEU A 976 10.060 -16.460 3.391 1.00 0.00 H new ATOM 897 N PRO A 977 8.379 -18.067 3.179 1.00 0.00 N ATOM 898 CA PRO A 977 9.065 -19.362 3.138 1.00 0.00 C ATOM 899 C PRO A 977 8.272 -20.377 2.326 1.00 0.00 C ATOM 900 O PRO A 977 8.835 -21.322 1.776 1.00 0.00 O ATOM 901 CB PRO A 977 9.144 -19.794 4.605 1.00 0.00 C ATOM 902 CG PRO A 977 9.015 -18.533 5.375 1.00 0.00 C ATOM 903 CD PRO A 977 8.106 -17.658 4.565 1.00 0.00 C ATOM 0 HA PRO A 977 10.045 -19.294 2.665 1.00 0.00 H new ATOM 0 HB2 PRO A 977 8.347 -20.494 4.855 1.00 0.00 H new ATOM 0 HB3 PRO A 977 10.088 -20.295 4.820 1.00 0.00 H new ATOM 0 HG2 PRO A 977 8.600 -18.719 6.366 1.00 0.00 H new ATOM 0 HG3 PRO A 977 9.987 -18.061 5.520 1.00 0.00 H new ATOM 0 HD2 PRO A 977 7.060 -17.812 4.830 1.00 0.00 H new ATOM 0 HD3 PRO A 977 8.322 -16.601 4.721 1.00 0.00 H new ATOM 911 N ALA A 978 6.956 -20.175 2.271 1.00 0.00 N ATOM 912 CA ALA A 978 6.087 -21.023 1.468 1.00 0.00 C ATOM 913 C ALA A 978 6.294 -20.792 -0.030 1.00 0.00 C ATOM 914 O ALA A 978 6.777 -21.677 -0.735 1.00 0.00 O ATOM 915 CB ALA A 978 4.629 -20.799 1.840 1.00 0.00 C ATOM 0 H ALA A 978 6.472 -19.431 2.774 1.00 0.00 H new ATOM 0 HA ALA A 978 6.353 -22.058 1.683 1.00 0.00 H new ATOM 0 HB1 ALA A 978 3.995 -21.442 1.229 1.00 0.00 H new ATOM 0 HB2 ALA A 978 4.481 -21.039 2.893 1.00 0.00 H new ATOM 0 HB3 ALA A 978 4.365 -19.756 1.665 1.00 0.00 H new ATOM 921 N SER A 979 5.939 -19.605 -0.518 1.00 0.00 N ATOM 922 CA SER A 979 5.977 -19.330 -1.957 1.00 0.00 C ATOM 923 C SER A 979 5.879 -17.831 -2.289 1.00 0.00 C ATOM 924 O SER A 979 6.383 -17.390 -3.320 1.00 0.00 O ATOM 925 CB SER A 979 4.837 -20.080 -2.655 1.00 0.00 C ATOM 926 OG SER A 979 5.133 -21.458 -2.815 1.00 0.00 O ATOM 0 H SER A 979 5.624 -18.822 0.055 1.00 0.00 H new ATOM 0 HA SER A 979 6.946 -19.676 -2.318 1.00 0.00 H new ATOM 0 HB2 SER A 979 3.921 -19.970 -2.075 1.00 0.00 H new ATOM 0 HB3 SER A 979 4.652 -19.632 -3.631 1.00 0.00 H new ATOM 0 HG SER A 979 5.920 -21.688 -2.279 1.00 0.00 H new ATOM 932 N THR A 980 5.243 -17.050 -1.420 1.00 0.00 N ATOM 933 CA THR A 980 4.956 -15.640 -1.711 1.00 0.00 C ATOM 934 C THR A 980 6.212 -14.783 -1.841 1.00 0.00 C ATOM 935 O THR A 980 6.124 -13.646 -2.303 1.00 0.00 O ATOM 936 CB THR A 980 3.998 -14.973 -0.708 1.00 0.00 C ATOM 937 OG1 THR A 980 3.412 -13.826 -1.328 1.00 0.00 O ATOM 938 CG2 THR A 980 4.712 -14.522 0.549 1.00 0.00 C ATOM 0 H THR A 980 4.915 -17.366 -0.507 1.00 0.00 H new ATOM 0 HA THR A 980 4.455 -15.684 -2.678 1.00 0.00 H new ATOM 0 HB THR A 980 3.244 -15.708 -0.426 1.00 0.00 H new ATOM 0 HG1 THR A 980 4.100 -13.335 -1.824 1.00 0.00 H new ATOM 0 HG21 THR A 980 3.996 -14.057 1.227 1.00 0.00 H new ATOM 0 HG22 THR A 980 5.168 -15.383 1.037 1.00 0.00 H new ATOM 0 HG23 THR A 980 5.486 -13.800 0.289 1.00 0.00 H new ATOM 946 N HIS A 981 7.361 -15.319 -1.428 1.00 0.00 N ATOM 947 CA HIS A 981 8.597 -14.537 -1.284 1.00 0.00 C ATOM 948 C HIS A 981 8.839 -13.638 -2.496 1.00 0.00 C ATOM 949 O HIS A 981 9.161 -12.468 -2.328 1.00 0.00 O ATOM 950 CB HIS A 981 9.787 -15.508 -1.116 1.00 0.00 C ATOM 951 CG HIS A 981 11.136 -14.858 -0.923 1.00 0.00 C ATOM 952 ND1 HIS A 981 11.994 -15.198 0.099 1.00 0.00 N ATOM 953 CD2 HIS A 981 11.777 -13.899 -1.633 1.00 0.00 C ATOM 954 CE1 HIS A 981 13.093 -14.473 0.011 1.00 0.00 C ATOM 955 NE2 HIS A 981 12.988 -13.674 -1.034 1.00 0.00 N ATOM 0 H HIS A 981 7.465 -16.304 -1.184 1.00 0.00 H new ATOM 0 HA HIS A 981 8.499 -13.896 -0.408 1.00 0.00 H new ATOM 0 HB2 HIS A 981 9.589 -16.153 -0.260 1.00 0.00 H new ATOM 0 HB3 HIS A 981 9.836 -16.151 -1.995 1.00 0.00 H new ATOM 0 HD2 HIS A 981 11.400 -13.401 -2.514 1.00 0.00 H new ATOM 0 HE1 HIS A 981 13.938 -14.525 0.682 1.00 0.00 H new ATOM 0 HE2 HIS A 981 13.690 -13.002 -1.343 1.00 0.00 H new ATOM 964 N ARG A 982 8.657 -14.161 -3.698 1.00 0.00 N ATOM 965 CA ARG A 982 8.849 -13.354 -4.909 1.00 0.00 C ATOM 966 C ARG A 982 7.996 -12.077 -4.898 1.00 0.00 C ATOM 967 O ARG A 982 8.515 -10.971 -5.064 1.00 0.00 O ATOM 968 CB ARG A 982 8.492 -14.169 -6.152 1.00 0.00 C ATOM 969 CG ARG A 982 9.498 -15.253 -6.492 1.00 0.00 C ATOM 970 CD ARG A 982 9.033 -16.084 -7.677 1.00 0.00 C ATOM 971 NE ARG A 982 8.702 -15.258 -8.838 1.00 0.00 N ATOM 972 CZ ARG A 982 8.604 -15.722 -10.082 1.00 0.00 C ATOM 973 NH1 ARG A 982 8.768 -17.015 -10.333 1.00 0.00 N ATOM 974 NH2 ARG A 982 8.318 -14.886 -11.070 1.00 0.00 N ATOM 0 H ARG A 982 8.380 -15.128 -3.869 1.00 0.00 H new ATOM 0 HA ARG A 982 9.900 -13.067 -4.931 1.00 0.00 H new ATOM 0 HB2 ARG A 982 7.515 -14.629 -6.004 1.00 0.00 H new ATOM 0 HB3 ARG A 982 8.401 -13.493 -7.002 1.00 0.00 H new ATOM 0 HG2 ARG A 982 10.463 -14.799 -6.719 1.00 0.00 H new ATOM 0 HG3 ARG A 982 9.646 -15.900 -5.627 1.00 0.00 H new ATOM 0 HD2 ARG A 982 9.814 -16.793 -7.949 1.00 0.00 H new ATOM 0 HD3 ARG A 982 8.159 -16.668 -7.388 1.00 0.00 H new ATOM 0 HE ARG A 982 8.536 -14.263 -8.685 1.00 0.00 H new ATOM 0 HH11 ARG A 982 8.971 -17.661 -9.570 1.00 0.00 H new ATOM 0 HH12 ARG A 982 8.691 -17.363 -11.289 1.00 0.00 H new ATOM 0 HH21 ARG A 982 8.175 -13.895 -10.874 1.00 0.00 H new ATOM 0 HH22 ARG A 982 8.241 -15.233 -12.026 1.00 0.00 H new ATOM 988 N GLU A 983 6.696 -12.236 -4.690 1.00 0.00 N ATOM 989 CA GLU A 983 5.802 -11.082 -4.672 1.00 0.00 C ATOM 990 C GLU A 983 5.904 -10.262 -3.407 1.00 0.00 C ATOM 991 O GLU A 983 5.901 -9.033 -3.464 1.00 0.00 O ATOM 992 CB GLU A 983 4.349 -11.462 -4.875 1.00 0.00 C ATOM 993 CG GLU A 983 3.891 -11.231 -6.284 1.00 0.00 C ATOM 994 CD GLU A 983 4.413 -12.287 -7.236 1.00 0.00 C ATOM 995 OE1 GLU A 983 3.835 -13.399 -7.266 1.00 0.00 O ATOM 996 OE2 GLU A 983 5.406 -12.024 -7.943 1.00 0.00 O ATOM 0 H GLU A 983 6.241 -13.135 -4.534 1.00 0.00 H new ATOM 0 HA GLU A 983 6.141 -10.476 -5.512 1.00 0.00 H new ATOM 0 HB2 GLU A 983 4.211 -12.512 -4.618 1.00 0.00 H new ATOM 0 HB3 GLU A 983 3.726 -10.883 -4.193 1.00 0.00 H new ATOM 0 HG2 GLU A 983 2.801 -11.224 -6.314 1.00 0.00 H new ATOM 0 HG3 GLU A 983 4.225 -10.248 -6.616 1.00 0.00 H new ATOM 1003 N ILE A 984 5.962 -10.918 -2.266 1.00 0.00 N ATOM 1004 CA ILE A 984 5.972 -10.191 -1.016 1.00 0.00 C ATOM 1005 C ILE A 984 7.223 -9.318 -0.950 1.00 0.00 C ATOM 1006 O ILE A 984 7.233 -8.276 -0.315 1.00 0.00 O ATOM 1007 CB ILE A 984 5.871 -11.134 0.208 1.00 0.00 C ATOM 1008 CG1 ILE A 984 5.586 -10.337 1.482 1.00 0.00 C ATOM 1009 CG2 ILE A 984 7.143 -11.944 0.371 1.00 0.00 C ATOM 1010 CD1 ILE A 984 4.265 -9.600 1.450 1.00 0.00 C ATOM 0 H ILE A 984 6.002 -11.933 -2.179 1.00 0.00 H new ATOM 0 HA ILE A 984 5.089 -9.553 -0.980 1.00 0.00 H new ATOM 0 HB ILE A 984 5.043 -11.822 0.035 1.00 0.00 H new ATOM 0 HG12 ILE A 984 5.594 -11.016 2.335 1.00 0.00 H new ATOM 0 HG13 ILE A 984 6.390 -9.618 1.639 1.00 0.00 H new ATOM 0 HG21 ILE A 984 7.049 -12.599 1.237 1.00 0.00 H new ATOM 0 HG22 ILE A 984 7.308 -12.546 -0.523 1.00 0.00 H new ATOM 0 HG23 ILE A 984 7.987 -11.270 0.516 1.00 0.00 H new ATOM 0 HD11 ILE A 984 4.129 -9.057 2.385 1.00 0.00 H new ATOM 0 HD12 ILE A 984 4.261 -8.896 0.618 1.00 0.00 H new ATOM 0 HD13 ILE A 984 3.452 -10.315 1.324 1.00 0.00 H new ATOM 1022 N GLU A 985 8.269 -9.732 -1.650 1.00 0.00 N ATOM 1023 CA GLU A 985 9.440 -8.890 -1.802 1.00 0.00 C ATOM 1024 C GLU A 985 9.178 -7.743 -2.776 1.00 0.00 C ATOM 1025 O GLU A 985 9.628 -6.624 -2.534 1.00 0.00 O ATOM 1026 CB GLU A 985 10.651 -9.704 -2.248 1.00 0.00 C ATOM 1027 CG GLU A 985 11.215 -10.579 -1.143 1.00 0.00 C ATOM 1028 CD GLU A 985 12.652 -10.249 -0.813 1.00 0.00 C ATOM 1029 OE1 GLU A 985 12.894 -9.220 -0.147 1.00 0.00 O ATOM 1030 OE2 GLU A 985 13.548 -11.028 -1.209 1.00 0.00 O ATOM 0 H GLU A 985 8.329 -10.637 -2.116 1.00 0.00 H new ATOM 0 HA GLU A 985 9.659 -8.460 -0.825 1.00 0.00 H new ATOM 0 HB2 GLU A 985 10.369 -10.332 -3.093 1.00 0.00 H new ATOM 0 HB3 GLU A 985 11.428 -9.026 -2.600 1.00 0.00 H new ATOM 0 HG2 GLU A 985 10.605 -10.464 -0.247 1.00 0.00 H new ATOM 0 HG3 GLU A 985 11.146 -11.625 -1.443 1.00 0.00 H new ATOM 1037 N MET A 986 8.432 -7.991 -3.864 1.00 0.00 N ATOM 1038 CA MET A 986 8.263 -6.955 -4.877 1.00 0.00 C ATOM 1039 C MET A 986 7.471 -5.767 -4.326 1.00 0.00 C ATOM 1040 O MET A 986 7.997 -4.667 -4.223 1.00 0.00 O ATOM 1041 CB MET A 986 7.654 -7.475 -6.202 1.00 0.00 C ATOM 1042 CG MET A 986 6.199 -7.907 -6.157 1.00 0.00 C ATOM 1043 SD MET A 986 5.467 -8.045 -7.799 1.00 0.00 S ATOM 1044 CE MET A 986 6.607 -9.178 -8.592 1.00 0.00 C ATOM 0 H MET A 986 7.953 -8.871 -4.056 1.00 0.00 H new ATOM 0 HA MET A 986 9.267 -6.614 -5.128 1.00 0.00 H new ATOM 0 HB2 MET A 986 7.754 -6.692 -6.954 1.00 0.00 H new ATOM 0 HB3 MET A 986 8.251 -8.321 -6.542 1.00 0.00 H new ATOM 0 HG2 MET A 986 6.125 -8.868 -5.648 1.00 0.00 H new ATOM 0 HG3 MET A 986 5.628 -7.189 -5.568 1.00 0.00 H new ATOM 0 HE1 MET A 986 6.112 -9.661 -9.434 1.00 0.00 H new ATOM 0 HE2 MET A 986 7.477 -8.628 -8.949 1.00 0.00 H new ATOM 0 HE3 MET A 986 6.925 -9.935 -7.875 1.00 0.00 H new ATOM 1054 N ALA A 987 6.229 -6.006 -3.940 1.00 0.00 N ATOM 1055 CA ALA A 987 5.334 -4.947 -3.521 1.00 0.00 C ATOM 1056 C ALA A 987 5.575 -4.473 -2.094 1.00 0.00 C ATOM 1057 O ALA A 987 5.443 -3.294 -1.826 1.00 0.00 O ATOM 1058 CB ALA A 987 3.900 -5.380 -3.690 1.00 0.00 C ATOM 0 H ALA A 987 5.816 -6.938 -3.909 1.00 0.00 H new ATOM 0 HA ALA A 987 5.545 -4.095 -4.167 1.00 0.00 H new ATOM 0 HB1 ALA A 987 3.237 -4.575 -3.372 1.00 0.00 H new ATOM 0 HB2 ALA A 987 3.711 -5.612 -4.738 1.00 0.00 H new ATOM 0 HB3 ALA A 987 3.713 -6.266 -3.083 1.00 0.00 H new ATOM 1064 N GLN A 988 5.920 -5.367 -1.175 1.00 0.00 N ATOM 1065 CA GLN A 988 6.051 -4.955 0.223 1.00 0.00 C ATOM 1066 C GLN A 988 7.265 -4.049 0.403 1.00 0.00 C ATOM 1067 O GLN A 988 7.186 -3.022 1.080 1.00 0.00 O ATOM 1068 CB GLN A 988 6.112 -6.164 1.163 1.00 0.00 C ATOM 1069 CG GLN A 988 6.312 -5.817 2.633 1.00 0.00 C ATOM 1070 CD GLN A 988 7.755 -5.973 3.088 1.00 0.00 C ATOM 1071 OE1 GLN A 988 8.549 -5.035 3.028 1.00 0.00 O ATOM 1072 NE2 GLN A 988 8.102 -7.165 3.543 1.00 0.00 N ATOM 0 H GLN A 988 6.110 -6.352 -1.360 1.00 0.00 H new ATOM 0 HA GLN A 988 5.160 -4.386 0.490 1.00 0.00 H new ATOM 0 HB2 GLN A 988 5.189 -6.734 1.060 1.00 0.00 H new ATOM 0 HB3 GLN A 988 6.926 -6.815 0.843 1.00 0.00 H new ATOM 0 HG2 GLN A 988 5.991 -4.790 2.805 1.00 0.00 H new ATOM 0 HG3 GLN A 988 5.673 -6.457 3.242 1.00 0.00 H new ATOM 0 HE21 GLN A 988 7.415 -7.918 3.577 1.00 0.00 H new ATOM 0 HE22 GLN A 988 9.057 -7.332 3.860 1.00 0.00 H new ATOM 1081 N LYS A 989 8.382 -4.412 -0.225 1.00 0.00 N ATOM 1082 CA LYS A 989 9.558 -3.547 -0.224 1.00 0.00 C ATOM 1083 C LYS A 989 9.248 -2.277 -1.007 1.00 0.00 C ATOM 1084 O LYS A 989 9.803 -1.209 -0.747 1.00 0.00 O ATOM 1085 CB LYS A 989 10.763 -4.263 -0.843 1.00 0.00 C ATOM 1086 CG LYS A 989 11.234 -5.479 -0.058 1.00 0.00 C ATOM 1087 CD LYS A 989 11.766 -5.089 1.309 1.00 0.00 C ATOM 1088 CE LYS A 989 12.317 -6.290 2.060 1.00 0.00 C ATOM 1089 NZ LYS A 989 13.397 -6.974 1.301 1.00 0.00 N ATOM 0 H LYS A 989 8.497 -5.288 -0.735 1.00 0.00 H new ATOM 0 HA LYS A 989 9.808 -3.293 0.806 1.00 0.00 H new ATOM 0 HB2 LYS A 989 10.506 -4.575 -1.855 1.00 0.00 H new ATOM 0 HB3 LYS A 989 11.588 -3.556 -0.927 1.00 0.00 H new ATOM 0 HG2 LYS A 989 10.408 -6.180 0.059 1.00 0.00 H new ATOM 0 HG3 LYS A 989 12.013 -5.995 -0.619 1.00 0.00 H new ATOM 0 HD2 LYS A 989 12.550 -4.340 1.195 1.00 0.00 H new ATOM 0 HD3 LYS A 989 10.968 -4.629 1.893 1.00 0.00 H new ATOM 0 HE2 LYS A 989 12.702 -5.967 3.027 1.00 0.00 H new ATOM 0 HE3 LYS A 989 11.510 -6.996 2.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 989 14.135 -7.294 1.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 989 13.002 -7.794 0.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 989 13.810 -6.313 0.613 1.00 0.00 H new ATOM 1103 N LEU A 990 8.331 -2.416 -1.953 1.00 0.00 N ATOM 1104 CA LEU A 990 7.894 -1.321 -2.802 1.00 0.00 C ATOM 1105 C LEU A 990 7.034 -0.333 -2.004 1.00 0.00 C ATOM 1106 O LEU A 990 7.188 0.880 -2.135 1.00 0.00 O ATOM 1107 CB LEU A 990 7.147 -1.932 -3.998 1.00 0.00 C ATOM 1108 CG LEU A 990 6.327 -1.003 -4.880 1.00 0.00 C ATOM 1109 CD1 LEU A 990 7.149 0.205 -5.311 1.00 0.00 C ATOM 1110 CD2 LEU A 990 5.827 -1.760 -6.100 1.00 0.00 C ATOM 0 H LEU A 990 7.866 -3.301 -2.154 1.00 0.00 H new ATOM 0 HA LEU A 990 8.742 -0.745 -3.173 1.00 0.00 H new ATOM 0 HB2 LEU A 990 7.881 -2.431 -4.631 1.00 0.00 H new ATOM 0 HB3 LEU A 990 6.479 -2.704 -3.615 1.00 0.00 H new ATOM 0 HG LEU A 990 5.474 -0.644 -4.305 1.00 0.00 H new ATOM 0 HD11 LEU A 990 6.540 0.854 -5.941 1.00 0.00 H new ATOM 0 HD12 LEU A 990 7.475 0.757 -4.429 1.00 0.00 H new ATOM 0 HD13 LEU A 990 8.021 -0.130 -5.872 1.00 0.00 H new ATOM 0 HD21 LEU A 990 5.240 -1.090 -6.729 1.00 0.00 H new ATOM 0 HD22 LEU A 990 6.677 -2.138 -6.667 1.00 0.00 H new ATOM 0 HD23 LEU A 990 5.204 -2.595 -5.780 1.00 0.00 H new ATOM 1122 N LEU A 991 6.179 -0.866 -1.137 1.00 0.00 N ATOM 1123 CA LEU A 991 5.320 -0.051 -0.283 1.00 0.00 C ATOM 1124 C LEU A 991 6.154 0.851 0.607 1.00 0.00 C ATOM 1125 O LEU A 991 6.033 2.070 0.553 1.00 0.00 O ATOM 1126 CB LEU A 991 4.457 -0.944 0.607 1.00 0.00 C ATOM 1127 CG LEU A 991 3.544 -1.913 -0.127 1.00 0.00 C ATOM 1128 CD1 LEU A 991 3.071 -3.001 0.821 1.00 0.00 C ATOM 1129 CD2 LEU A 991 2.354 -1.179 -0.719 1.00 0.00 C ATOM 0 H LEU A 991 6.062 -1.871 -1.006 1.00 0.00 H new ATOM 0 HA LEU A 991 4.686 0.555 -0.929 1.00 0.00 H new ATOM 0 HB2 LEU A 991 5.113 -1.516 1.263 1.00 0.00 H new ATOM 0 HB3 LEU A 991 3.844 -0.308 1.245 1.00 0.00 H new ATOM 0 HG LEU A 991 4.105 -2.372 -0.941 1.00 0.00 H new ATOM 0 HD11 LEU A 991 2.418 -3.690 0.286 1.00 0.00 H new ATOM 0 HD12 LEU A 991 3.932 -3.545 1.210 1.00 0.00 H new ATOM 0 HD13 LEU A 991 2.523 -2.550 1.648 1.00 0.00 H new ATOM 0 HD21 LEU A 991 1.712 -1.889 -1.241 1.00 0.00 H new ATOM 0 HD22 LEU A 991 1.790 -0.697 0.080 1.00 0.00 H new ATOM 0 HD23 LEU A 991 2.705 -0.423 -1.422 1.00 0.00 H new ATOM 1141 N ASN A 992 6.979 0.232 1.450 1.00 0.00 N ATOM 1142 CA ASN A 992 7.889 0.960 2.329 1.00 0.00 C ATOM 1143 C ASN A 992 8.640 2.045 1.565 1.00 0.00 C ATOM 1144 O ASN A 992 8.853 3.147 2.076 1.00 0.00 O ATOM 1145 CB ASN A 992 8.881 -0.016 2.970 1.00 0.00 C ATOM 1146 CG ASN A 992 9.854 0.659 3.923 1.00 0.00 C ATOM 1147 OD1 ASN A 992 9.521 1.641 4.586 1.00 0.00 O ATOM 1148 ND2 ASN A 992 11.066 0.133 4.003 1.00 0.00 N ATOM 0 H ASN A 992 7.035 -0.782 1.542 1.00 0.00 H new ATOM 0 HA ASN A 992 7.301 1.443 3.109 1.00 0.00 H new ATOM 0 HB2 ASN A 992 8.327 -0.784 3.510 1.00 0.00 H new ATOM 0 HB3 ASN A 992 9.443 -0.521 2.184 1.00 0.00 H new ATOM 0 HD21 ASN A 992 11.759 0.542 4.629 1.00 0.00 H new ATOM 0 HD22 ASN A 992 11.307 -0.682 3.438 1.00 0.00 H new ATOM 1155 N SER A 993 9.007 1.737 0.329 1.00 0.00 N ATOM 1156 CA SER A 993 9.724 2.677 -0.511 1.00 0.00 C ATOM 1157 C SER A 993 8.851 3.876 -0.890 1.00 0.00 C ATOM 1158 O SER A 993 9.202 5.023 -0.599 1.00 0.00 O ATOM 1159 CB SER A 993 10.234 1.977 -1.774 1.00 0.00 C ATOM 1160 OG SER A 993 11.158 0.947 -1.453 1.00 0.00 O ATOM 0 H SER A 993 8.817 0.838 -0.113 1.00 0.00 H new ATOM 0 HA SER A 993 10.573 3.051 0.061 1.00 0.00 H new ATOM 0 HB2 SER A 993 9.393 1.556 -2.324 1.00 0.00 H new ATOM 0 HB3 SER A 993 10.711 2.706 -2.429 1.00 0.00 H new ATOM 0 HG SER A 993 10.734 0.305 -0.846 1.00 0.00 H new ATOM 1166 N ASP A 994 7.706 3.632 -1.521 1.00 0.00 N ATOM 1167 CA ASP A 994 6.943 4.738 -2.090 1.00 0.00 C ATOM 1168 C ASP A 994 5.864 5.295 -1.164 1.00 0.00 C ATOM 1169 O ASP A 994 5.389 6.403 -1.397 1.00 0.00 O ATOM 1170 CB ASP A 994 6.384 4.391 -3.466 1.00 0.00 C ATOM 1171 CG ASP A 994 7.427 4.594 -4.555 1.00 0.00 C ATOM 1172 OD1 ASP A 994 7.603 5.747 -5.012 1.00 0.00 O ATOM 1173 OD2 ASP A 994 8.103 3.617 -4.943 1.00 0.00 O ATOM 0 H ASP A 994 7.295 2.707 -1.649 1.00 0.00 H new ATOM 0 HA ASP A 994 7.661 5.548 -2.213 1.00 0.00 H new ATOM 0 HB2 ASP A 994 6.046 3.355 -3.472 1.00 0.00 H new ATOM 0 HB3 ASP A 994 5.513 5.012 -3.674 1.00 0.00 H new ATOM 1178 N LEU A 995 5.473 4.585 -0.106 1.00 0.00 N ATOM 1179 CA LEU A 995 4.735 5.236 0.973 1.00 0.00 C ATOM 1180 C LEU A 995 5.615 6.320 1.567 1.00 0.00 C ATOM 1181 O LEU A 995 5.182 7.461 1.721 1.00 0.00 O ATOM 1182 CB LEU A 995 4.282 4.226 2.055 1.00 0.00 C ATOM 1183 CG LEU A 995 3.546 4.801 3.283 1.00 0.00 C ATOM 1184 CD1 LEU A 995 4.519 5.346 4.322 1.00 0.00 C ATOM 1185 CD2 LEU A 995 2.552 5.877 2.873 1.00 0.00 C ATOM 0 H LEU A 995 5.648 3.589 0.025 1.00 0.00 H new ATOM 0 HA LEU A 995 3.824 5.677 0.569 1.00 0.00 H new ATOM 0 HB2 LEU A 995 3.630 3.492 1.582 1.00 0.00 H new ATOM 0 HB3 LEU A 995 5.163 3.689 2.408 1.00 0.00 H new ATOM 0 HG LEU A 995 2.997 3.978 3.740 1.00 0.00 H new ATOM 0 HD11 LEU A 995 3.961 5.742 5.171 1.00 0.00 H new ATOM 0 HD12 LEU A 995 5.176 4.545 4.661 1.00 0.00 H new ATOM 0 HD13 LEU A 995 5.117 6.142 3.878 1.00 0.00 H new ATOM 0 HD21 LEU A 995 2.048 6.264 3.759 1.00 0.00 H new ATOM 0 HD22 LEU A 995 3.080 6.689 2.372 1.00 0.00 H new ATOM 0 HD23 LEU A 995 1.814 5.451 2.193 1.00 0.00 H new ATOM 1197 N ALA A 996 6.855 5.958 1.911 1.00 0.00 N ATOM 1198 CA ALA A 996 7.843 6.945 2.333 1.00 0.00 C ATOM 1199 C ALA A 996 7.979 8.065 1.320 1.00 0.00 C ATOM 1200 O ALA A 996 8.242 9.205 1.688 1.00 0.00 O ATOM 1201 CB ALA A 996 9.195 6.297 2.581 1.00 0.00 C ATOM 0 H ALA A 996 7.193 4.996 1.905 1.00 0.00 H new ATOM 0 HA ALA A 996 7.487 7.375 3.269 1.00 0.00 H new ATOM 0 HB1 ALA A 996 9.911 7.057 2.894 1.00 0.00 H new ATOM 0 HB2 ALA A 996 9.100 5.544 3.363 1.00 0.00 H new ATOM 0 HB3 ALA A 996 9.546 5.824 1.664 1.00 0.00 H new ATOM 1207 N GLU A 997 7.762 7.757 0.052 1.00 0.00 N ATOM 1208 CA GLU A 997 7.837 8.779 -0.968 1.00 0.00 C ATOM 1209 C GLU A 997 6.740 9.795 -0.723 1.00 0.00 C ATOM 1210 O GLU A 997 6.988 10.982 -0.704 1.00 0.00 O ATOM 1211 CB GLU A 997 7.708 8.178 -2.365 1.00 0.00 C ATOM 1212 CG GLU A 997 7.608 9.208 -3.479 1.00 0.00 C ATOM 1213 CD GLU A 997 8.875 10.020 -3.642 1.00 0.00 C ATOM 1214 OE1 GLU A 997 9.875 9.467 -4.147 1.00 0.00 O ATOM 1215 OE2 GLU A 997 8.875 11.214 -3.286 1.00 0.00 O ATOM 0 H GLU A 997 7.536 6.822 -0.288 1.00 0.00 H new ATOM 0 HA GLU A 997 8.811 9.266 -0.914 1.00 0.00 H new ATOM 0 HB2 GLU A 997 8.569 7.537 -2.554 1.00 0.00 H new ATOM 0 HB3 GLU A 997 6.824 7.541 -2.394 1.00 0.00 H new ATOM 0 HG2 GLU A 997 7.384 8.701 -4.417 1.00 0.00 H new ATOM 0 HG3 GLU A 997 6.775 9.880 -3.273 1.00 0.00 H new ATOM 1222 N LEU A 998 5.545 9.307 -0.447 1.00 0.00 N ATOM 1223 CA LEU A 998 4.387 10.175 -0.293 1.00 0.00 C ATOM 1224 C LEU A 998 4.384 10.863 1.057 1.00 0.00 C ATOM 1225 O LEU A 998 4.241 12.087 1.136 1.00 0.00 O ATOM 1226 CB LEU A 998 3.091 9.390 -0.477 1.00 0.00 C ATOM 1227 CG LEU A 998 2.609 9.290 -1.918 1.00 0.00 C ATOM 1228 CD1 LEU A 998 2.425 10.683 -2.495 1.00 0.00 C ATOM 1229 CD2 LEU A 998 3.592 8.490 -2.754 1.00 0.00 C ATOM 0 H LEU A 998 5.348 8.314 -0.324 1.00 0.00 H new ATOM 0 HA LEU A 998 4.452 10.940 -1.067 1.00 0.00 H new ATOM 0 HB2 LEU A 998 3.233 8.383 -0.085 1.00 0.00 H new ATOM 0 HB3 LEU A 998 2.310 9.858 0.122 1.00 0.00 H new ATOM 0 HG LEU A 998 1.650 8.772 -1.936 1.00 0.00 H new ATOM 0 HD11 LEU A 998 2.080 10.607 -3.526 1.00 0.00 H new ATOM 0 HD12 LEU A 998 1.687 11.227 -1.905 1.00 0.00 H new ATOM 0 HD13 LEU A 998 3.375 11.216 -2.469 1.00 0.00 H new ATOM 0 HD21 LEU A 998 3.231 8.429 -3.781 1.00 0.00 H new ATOM 0 HD22 LEU A 998 4.565 8.981 -2.740 1.00 0.00 H new ATOM 0 HD23 LEU A 998 3.686 7.485 -2.342 1.00 0.00 H new ATOM 1241 N ILE A 999 4.555 10.077 2.111 1.00 0.00 N ATOM 1242 CA ILE A 999 4.547 10.601 3.483 1.00 0.00 C ATOM 1243 C ILE A 999 5.607 11.689 3.654 1.00 0.00 C ATOM 1244 O ILE A 999 5.475 12.595 4.471 1.00 0.00 O ATOM 1245 CB ILE A 999 4.765 9.479 4.530 1.00 0.00 C ATOM 1246 CG1 ILE A 999 4.456 9.989 5.940 1.00 0.00 C ATOM 1247 CG2 ILE A 999 6.186 8.943 4.466 1.00 0.00 C ATOM 1248 CD1 ILE A 999 4.542 8.917 7.005 1.00 0.00 C ATOM 0 H ILE A 999 4.702 9.070 2.049 1.00 0.00 H new ATOM 0 HA ILE A 999 3.562 11.034 3.655 1.00 0.00 H new ATOM 0 HB ILE A 999 4.080 8.664 4.295 1.00 0.00 H new ATOM 0 HG12 ILE A 999 5.151 10.792 6.187 1.00 0.00 H new ATOM 0 HG13 ILE A 999 3.455 10.420 5.950 1.00 0.00 H new ATOM 0 HG21 ILE A 999 6.312 8.157 5.211 1.00 0.00 H new ATOM 0 HG22 ILE A 999 6.377 8.536 3.473 1.00 0.00 H new ATOM 0 HG23 ILE A 999 6.889 9.751 4.668 1.00 0.00 H new ATOM 0 HD11 ILE A 999 4.311 9.351 7.978 1.00 0.00 H new ATOM 0 HD12 ILE A 999 3.827 8.125 6.782 1.00 0.00 H new ATOM 0 HD13 ILE A 999 5.550 8.502 7.023 1.00 0.00 H new ATOM 1260 N ASN A1000 6.574 11.660 2.766 1.00 0.00 N ATOM 1261 CA ASN A1000 7.723 12.533 2.862 1.00 0.00 C ATOM 1262 C ASN A1000 7.660 13.576 1.768 1.00 0.00 C ATOM 1263 O ASN A1000 8.252 14.623 1.902 1.00 0.00 O ATOM 1264 CB ASN A1000 9.017 11.703 2.801 1.00 0.00 C ATOM 1265 CG ASN A1000 10.201 12.424 2.180 1.00 0.00 C ATOM 1266 OD1 ASN A1000 10.944 13.130 2.863 1.00 0.00 O ATOM 1267 ND2 ASN A1000 10.397 12.222 0.882 1.00 0.00 N ATOM 0 H ASN A1000 6.588 11.034 1.960 1.00 0.00 H new ATOM 0 HA ASN A1000 7.717 13.056 3.818 1.00 0.00 H new ATOM 0 HB2 ASN A1000 9.285 11.396 3.812 1.00 0.00 H new ATOM 0 HB3 ASN A1000 8.823 10.793 2.233 1.00 0.00 H new ATOM 0 HD21 ASN A1000 11.189 12.660 0.412 1.00 0.00 H new ATOM 0 HD22 ASN A1000 9.755 11.629 0.356 1.00 0.00 H new ATOM 1274 N LYS A1001 6.922 13.289 0.697 1.00 0.00 N ATOM 1275 CA LYS A1001 6.796 14.232 -0.416 1.00 0.00 C ATOM 1276 C LYS A1001 5.709 15.248 -0.146 1.00 0.00 C ATOM 1277 O LYS A1001 5.842 16.412 -0.515 1.00 0.00 O ATOM 1278 CB LYS A1001 6.517 13.516 -1.738 1.00 0.00 C ATOM 1279 CG LYS A1001 7.014 14.271 -2.961 1.00 0.00 C ATOM 1280 CD LYS A1001 8.463 14.700 -2.780 1.00 0.00 C ATOM 1281 CE LYS A1001 9.112 15.084 -4.097 1.00 0.00 C ATOM 1282 NZ LYS A1001 9.443 13.889 -4.915 1.00 0.00 N ATOM 0 H LYS A1001 6.405 12.418 0.575 1.00 0.00 H new ATOM 0 HA LYS A1001 7.752 14.748 -0.503 1.00 0.00 H new ATOM 0 HB2 LYS A1001 6.986 12.533 -1.714 1.00 0.00 H new ATOM 0 HB3 LYS A1001 5.443 13.355 -1.834 1.00 0.00 H new ATOM 0 HG2 LYS A1001 6.925 13.639 -3.845 1.00 0.00 H new ATOM 0 HG3 LYS A1001 6.389 15.148 -3.131 1.00 0.00 H new ATOM 0 HD2 LYS A1001 8.507 15.546 -2.094 1.00 0.00 H new ATOM 0 HD3 LYS A1001 9.027 13.888 -2.321 1.00 0.00 H new ATOM 0 HE2 LYS A1001 8.441 15.734 -4.658 1.00 0.00 H new ATOM 0 HE3 LYS A1001 10.020 15.655 -3.903 1.00 0.00 H new ATOM 0 HZ1 LYS A1001 10.453 13.906 -5.162 1.00 0.00 H new ATOM 0 HZ2 LYS A1001 9.234 13.027 -4.371 1.00 0.00 H new ATOM 0 HZ3 LYS A1001 8.874 13.895 -5.785 1.00 0.00 H new ATOM 1296 N MET A1002 4.630 14.825 0.495 1.00 0.00 N ATOM 1297 CA MET A1002 3.613 15.762 0.878 1.00 0.00 C ATOM 1298 C MET A1002 4.087 16.474 2.115 1.00 0.00 C ATOM 1299 O MET A1002 3.851 17.666 2.286 1.00 0.00 O ATOM 1300 CB MET A1002 2.272 15.097 1.132 1.00 0.00 C ATOM 1301 CG MET A1002 1.189 16.108 1.442 1.00 0.00 C ATOM 1302 SD MET A1002 0.415 16.824 -0.029 1.00 0.00 S ATOM 1303 CE MET A1002 1.748 17.774 -0.752 1.00 0.00 C ATOM 0 H MET A1002 4.447 13.855 0.752 1.00 0.00 H new ATOM 0 HA MET A1002 3.453 16.462 0.058 1.00 0.00 H new ATOM 0 HB2 MET A1002 1.985 14.514 0.257 1.00 0.00 H new ATOM 0 HB3 MET A1002 2.365 14.399 1.964 1.00 0.00 H new ATOM 0 HG2 MET A1002 0.421 15.629 2.049 1.00 0.00 H new ATOM 0 HG3 MET A1002 1.616 16.911 2.044 1.00 0.00 H new ATOM 0 HE1 MET A1002 1.337 18.631 -1.285 1.00 0.00 H new ATOM 0 HE2 MET A1002 2.416 18.122 0.036 1.00 0.00 H new ATOM 0 HE3 MET A1002 2.305 17.148 -1.449 1.00 0.00 H new ATOM 1313 N LYS A1003 4.785 15.738 2.979 1.00 0.00 N ATOM 1314 CA LYS A1003 5.503 16.378 4.047 1.00 0.00 C ATOM 1315 C LYS A1003 6.503 17.356 3.453 1.00 0.00 C ATOM 1316 O LYS A1003 6.664 18.442 3.963 1.00 0.00 O ATOM 1317 CB LYS A1003 6.227 15.361 4.920 1.00 0.00 C ATOM 1318 CG LYS A1003 7.009 16.011 6.040 1.00 0.00 C ATOM 1319 CD LYS A1003 7.750 14.997 6.897 1.00 0.00 C ATOM 1320 CE LYS A1003 8.851 14.298 6.115 1.00 0.00 C ATOM 1321 NZ LYS A1003 9.752 13.521 7.005 1.00 0.00 N ATOM 0 H LYS A1003 4.860 14.721 2.952 1.00 0.00 H new ATOM 0 HA LYS A1003 4.789 16.907 4.679 1.00 0.00 H new ATOM 0 HB2 LYS A1003 5.500 14.668 5.343 1.00 0.00 H new ATOM 0 HB3 LYS A1003 6.905 14.773 4.301 1.00 0.00 H new ATOM 0 HG2 LYS A1003 7.724 16.717 5.618 1.00 0.00 H new ATOM 0 HG3 LYS A1003 6.328 16.585 6.669 1.00 0.00 H new ATOM 0 HD2 LYS A1003 8.181 15.499 7.763 1.00 0.00 H new ATOM 0 HD3 LYS A1003 7.046 14.256 7.275 1.00 0.00 H new ATOM 0 HE2 LYS A1003 8.405 13.631 5.377 1.00 0.00 H new ATOM 0 HE3 LYS A1003 9.433 15.038 5.566 1.00 0.00 H new ATOM 0 HZ1 LYS A1003 10.489 13.059 6.435 1.00 0.00 H new ATOM 0 HZ2 LYS A1003 10.197 14.161 7.693 1.00 0.00 H new ATOM 0 HZ3 LYS A1003 9.201 12.798 7.511 1.00 0.00 H new ATOM 1335 N LEU A1004 7.105 16.969 2.331 1.00 0.00 N ATOM 1336 CA LEU A1004 8.153 17.757 1.681 1.00 0.00 C ATOM 1337 C LEU A1004 7.574 19.023 1.106 1.00 0.00 C ATOM 1338 O LEU A1004 8.101 20.096 1.319 1.00 0.00 O ATOM 1339 CB LEU A1004 8.818 16.955 0.556 1.00 0.00 C ATOM 1340 CG LEU A1004 10.089 17.563 -0.072 1.00 0.00 C ATOM 1341 CD1 LEU A1004 10.908 16.477 -0.750 1.00 0.00 C ATOM 1342 CD2 LEU A1004 9.748 18.653 -1.089 1.00 0.00 C ATOM 0 H LEU A1004 6.881 16.100 1.846 1.00 0.00 H new ATOM 0 HA LEU A1004 8.901 18.005 2.434 1.00 0.00 H new ATOM 0 HB2 LEU A1004 9.069 15.968 0.945 1.00 0.00 H new ATOM 0 HB3 LEU A1004 8.084 16.808 -0.236 1.00 0.00 H new ATOM 0 HG LEU A1004 10.669 18.015 0.732 1.00 0.00 H new ATOM 0 HD11 LEU A1004 11.803 16.917 -1.190 1.00 0.00 H new ATOM 0 HD12 LEU A1004 11.197 15.726 -0.014 1.00 0.00 H new ATOM 0 HD13 LEU A1004 10.312 16.007 -1.533 1.00 0.00 H new ATOM 0 HD21 LEU A1004 10.668 19.058 -1.510 1.00 0.00 H new ATOM 0 HD22 LEU A1004 9.139 18.228 -1.887 1.00 0.00 H new ATOM 0 HD23 LEU A1004 9.193 19.451 -0.595 1.00 0.00 H new ATOM 1354 N ALA A1005 6.501 18.889 0.352 1.00 0.00 N ATOM 1355 CA ALA A1005 5.847 20.038 -0.237 1.00 0.00 C ATOM 1356 C ALA A1005 5.479 21.032 0.842 1.00 0.00 C ATOM 1357 O ALA A1005 5.752 22.231 0.742 1.00 0.00 O ATOM 1358 CB ALA A1005 4.615 19.599 -1.005 1.00 0.00 C ATOM 0 H ALA A1005 6.064 17.994 0.133 1.00 0.00 H new ATOM 0 HA ALA A1005 6.532 20.521 -0.934 1.00 0.00 H new ATOM 0 HB1 ALA A1005 4.130 20.471 -1.444 1.00 0.00 H new ATOM 0 HB2 ALA A1005 4.907 18.909 -1.797 1.00 0.00 H new ATOM 0 HB3 ALA A1005 3.922 19.102 -0.327 1.00 0.00 H new ATOM 1364 N GLN A1006 4.902 20.502 1.897 1.00 0.00 N ATOM 1365 CA GLN A1006 4.458 21.301 3.012 1.00 0.00 C ATOM 1366 C GLN A1006 5.641 21.731 3.875 1.00 0.00 C ATOM 1367 O GLN A1006 5.516 22.613 4.721 1.00 0.00 O ATOM 1368 CB GLN A1006 3.433 20.501 3.824 1.00 0.00 C ATOM 1369 CG GLN A1006 2.117 20.272 3.098 1.00 0.00 C ATOM 1370 CD GLN A1006 1.995 21.053 1.797 1.00 0.00 C ATOM 1371 OE1 GLN A1006 2.271 20.535 0.720 1.00 0.00 O ATOM 1372 NE2 GLN A1006 1.603 22.311 1.889 1.00 0.00 N ATOM 0 H GLN A1006 4.728 19.503 2.004 1.00 0.00 H new ATOM 0 HA GLN A1006 3.983 22.210 2.644 1.00 0.00 H new ATOM 0 HB2 GLN A1006 3.865 19.535 4.086 1.00 0.00 H new ATOM 0 HB3 GLN A1006 3.235 21.026 4.759 1.00 0.00 H new ATOM 0 HG2 GLN A1006 2.009 19.208 2.885 1.00 0.00 H new ATOM 0 HG3 GLN A1006 1.295 20.550 3.757 1.00 0.00 H new ATOM 0 HE21 GLN A1006 1.381 22.711 2.801 1.00 0.00 H new ATOM 0 HE22 GLN A1006 1.522 22.883 1.048 1.00 0.00 H new ATOM 1381 N GLN A1007 6.791 21.103 3.652 1.00 0.00 N ATOM 1382 CA GLN A1007 7.980 21.399 4.413 1.00 0.00 C ATOM 1383 C GLN A1007 8.873 22.400 3.691 1.00 0.00 C ATOM 1384 O GLN A1007 9.430 23.313 4.295 1.00 0.00 O ATOM 1385 CB GLN A1007 8.735 20.097 4.670 1.00 0.00 C ATOM 1386 CG GLN A1007 9.142 19.878 6.114 1.00 0.00 C ATOM 1387 CD GLN A1007 7.952 19.833 7.061 1.00 0.00 C ATOM 1388 OE1 GLN A1007 8.067 20.202 8.228 1.00 0.00 O ATOM 1389 NE2 GLN A1007 6.796 19.386 6.573 1.00 0.00 N ATOM 0 H GLN A1007 6.916 20.381 2.942 1.00 0.00 H new ATOM 0 HA GLN A1007 7.689 21.854 5.360 1.00 0.00 H new ATOM 0 HB2 GLN A1007 8.111 19.262 4.351 1.00 0.00 H new ATOM 0 HB3 GLN A1007 9.630 20.082 4.048 1.00 0.00 H new ATOM 0 HG2 GLN A1007 9.698 18.944 6.192 1.00 0.00 H new ATOM 0 HG3 GLN A1007 9.816 20.677 6.422 1.00 0.00 H new ATOM 0 HE21 GLN A1007 6.735 19.087 5.600 1.00 0.00 H new ATOM 0 HE22 GLN A1007 5.972 19.342 7.173 1.00 0.00 H new ATOM 1398 N TYR A1008 8.976 22.222 2.392 1.00 0.00 N ATOM 1399 CA TYR A1008 9.837 23.025 1.546 1.00 0.00 C ATOM 1400 C TYR A1008 9.053 24.236 1.056 1.00 0.00 C ATOM 1401 O TYR A1008 9.554 25.062 0.292 1.00 0.00 O ATOM 1402 CB TYR A1008 10.306 22.121 0.400 1.00 0.00 C ATOM 1403 CG TYR A1008 11.200 22.752 -0.637 1.00 0.00 C ATOM 1404 CD1 TYR A1008 12.438 23.287 -0.305 1.00 0.00 C ATOM 1405 CD2 TYR A1008 10.810 22.768 -1.964 1.00 0.00 C ATOM 1406 CE1 TYR A1008 13.259 23.833 -1.274 1.00 0.00 C ATOM 1407 CE2 TYR A1008 11.621 23.315 -2.940 1.00 0.00 C ATOM 1408 CZ TYR A1008 12.848 23.841 -2.591 1.00 0.00 C ATOM 1409 OH TYR A1008 13.663 24.380 -3.561 1.00 0.00 O ATOM 0 H TYR A1008 8.457 21.505 1.885 1.00 0.00 H new ATOM 0 HA TYR A1008 10.711 23.405 2.075 1.00 0.00 H new ATOM 0 HB2 TYR A1008 10.833 21.270 0.832 1.00 0.00 H new ATOM 0 HB3 TYR A1008 9.424 21.727 -0.105 1.00 0.00 H new ATOM 0 HD1 TYR A1008 12.764 23.276 0.725 1.00 0.00 H new ATOM 0 HD2 TYR A1008 9.856 22.346 -2.242 1.00 0.00 H new ATOM 0 HE1 TYR A1008 14.217 24.251 -1.002 1.00 0.00 H new ATOM 0 HE2 TYR A1008 11.296 23.331 -3.970 1.00 0.00 H new ATOM 0 HH TYR A1008 13.225 24.305 -4.435 1.00 0.00 H new ATOM 1496 N GLN A1014 5.106 26.584 -3.869 1.00 0.00 N ATOM 1497 CA GLN A1014 4.809 25.396 -3.074 1.00 0.00 C ATOM 1498 C GLN A1014 4.173 24.314 -3.945 1.00 0.00 C ATOM 1499 O GLN A1014 4.528 23.140 -3.851 1.00 0.00 O ATOM 1500 CB GLN A1014 3.864 25.778 -1.927 1.00 0.00 C ATOM 1501 CG GLN A1014 3.867 24.815 -0.751 1.00 0.00 C ATOM 1502 CD GLN A1014 2.979 23.616 -0.973 1.00 0.00 C ATOM 1503 OE1 GLN A1014 1.788 23.646 -0.664 1.00 0.00 O ATOM 1504 NE2 GLN A1014 3.552 22.546 -1.487 1.00 0.00 N ATOM 0 HA GLN A1014 5.737 24.999 -2.663 1.00 0.00 H new ATOM 0 HB2 GLN A1014 4.135 26.770 -1.567 1.00 0.00 H new ATOM 0 HB3 GLN A1014 2.849 25.848 -2.319 1.00 0.00 H new ATOM 0 HG2 GLN A1014 4.887 24.477 -0.567 1.00 0.00 H new ATOM 0 HG3 GLN A1014 3.540 25.342 0.145 1.00 0.00 H new ATOM 0 HE21 GLN A1014 4.543 22.565 -1.729 1.00 0.00 H new ATOM 0 HE22 GLN A1014 3.005 21.699 -1.643 1.00 0.00 H new ATOM 1513 N GLN A1015 3.276 24.732 -4.828 1.00 0.00 N ATOM 1514 CA GLN A1015 2.474 23.809 -5.624 1.00 0.00 C ATOM 1515 C GLN A1015 3.342 22.889 -6.481 1.00 0.00 C ATOM 1516 O GLN A1015 2.918 21.789 -6.831 1.00 0.00 O ATOM 1517 CB GLN A1015 1.496 24.581 -6.506 1.00 0.00 C ATOM 1518 CG GLN A1015 2.177 25.477 -7.530 1.00 0.00 C ATOM 1519 CD GLN A1015 1.207 26.361 -8.291 1.00 0.00 C ATOM 1520 OE1 GLN A1015 1.547 27.478 -8.688 1.00 0.00 O ATOM 1521 NE2 GLN A1015 0.000 25.867 -8.516 1.00 0.00 N ATOM 0 H GLN A1015 3.083 25.716 -5.013 1.00 0.00 H new ATOM 0 HA GLN A1015 1.915 23.181 -4.930 1.00 0.00 H new ATOM 0 HB2 GLN A1015 0.852 23.872 -7.027 1.00 0.00 H new ATOM 0 HB3 GLN A1015 0.852 25.191 -5.873 1.00 0.00 H new ATOM 0 HG2 GLN A1015 2.910 26.105 -7.023 1.00 0.00 H new ATOM 0 HG3 GLN A1015 2.725 24.856 -8.239 1.00 0.00 H new ATOM 0 HE21 GLN A1015 -0.243 24.938 -8.171 1.00 0.00 H new ATOM 0 HE22 GLN A1015 -0.687 26.415 -9.034 1.00 0.00 H new ATOM 1530 N GLU A1016 4.548 23.337 -6.818 1.00 0.00 N ATOM 1531 CA GLU A1016 5.517 22.497 -7.510 1.00 0.00 C ATOM 1532 C GLU A1016 5.738 21.208 -6.726 1.00 0.00 C ATOM 1533 O GLU A1016 5.522 20.108 -7.230 1.00 0.00 O ATOM 1534 CB GLU A1016 6.826 23.285 -7.663 1.00 0.00 C ATOM 1535 CG GLU A1016 8.029 22.472 -8.119 1.00 0.00 C ATOM 1536 CD GLU A1016 7.803 21.751 -9.428 1.00 0.00 C ATOM 1537 OE1 GLU A1016 7.893 22.395 -10.493 1.00 0.00 O ATOM 1538 OE2 GLU A1016 7.545 20.532 -9.404 1.00 0.00 O ATOM 0 H GLU A1016 4.877 24.282 -6.621 1.00 0.00 H new ATOM 0 HA GLU A1016 5.147 22.225 -8.499 1.00 0.00 H new ATOM 0 HB2 GLU A1016 6.663 24.092 -8.377 1.00 0.00 H new ATOM 0 HB3 GLU A1016 7.064 23.749 -6.706 1.00 0.00 H new ATOM 0 HG2 GLU A1016 8.889 23.134 -8.221 1.00 0.00 H new ATOM 0 HG3 GLU A1016 8.278 21.742 -7.349 1.00 0.00 H new ATOM 1545 N TYR A1017 6.168 21.373 -5.484 1.00 0.00 N ATOM 1546 CA TYR A1017 6.390 20.258 -4.567 1.00 0.00 C ATOM 1547 C TYR A1017 5.123 19.405 -4.441 1.00 0.00 C ATOM 1548 O TYR A1017 5.194 18.187 -4.276 1.00 0.00 O ATOM 1549 CB TYR A1017 6.816 20.763 -3.164 1.00 0.00 C ATOM 1550 CG TYR A1017 7.443 22.141 -3.102 1.00 0.00 C ATOM 1551 CD1 TYR A1017 8.150 22.677 -4.174 1.00 0.00 C ATOM 1552 CD2 TYR A1017 7.296 22.924 -1.956 1.00 0.00 C ATOM 1553 CE1 TYR A1017 8.681 23.943 -4.118 1.00 0.00 C ATOM 1554 CE2 TYR A1017 7.832 24.188 -1.899 1.00 0.00 C ATOM 1555 CZ TYR A1017 8.517 24.695 -2.981 1.00 0.00 C ATOM 1556 OH TYR A1017 9.054 25.953 -2.921 1.00 0.00 O ATOM 0 H TYR A1017 6.374 22.286 -5.079 1.00 0.00 H new ATOM 0 HA TYR A1017 7.195 19.649 -4.978 1.00 0.00 H new ATOM 0 HB2 TYR A1017 5.937 20.759 -2.519 1.00 0.00 H new ATOM 0 HB3 TYR A1017 7.523 20.047 -2.744 1.00 0.00 H new ATOM 0 HD1 TYR A1017 8.284 22.086 -5.068 1.00 0.00 H new ATOM 0 HD2 TYR A1017 6.756 22.533 -1.106 1.00 0.00 H new ATOM 0 HE1 TYR A1017 9.223 24.344 -4.962 1.00 0.00 H new ATOM 0 HE2 TYR A1017 7.716 24.784 -1.006 1.00 0.00 H new ATOM 0 HH TYR A1017 8.850 26.355 -2.051 1.00 0.00 H new ATOM 1566 N LYS A1018 3.969 20.060 -4.534 1.00 0.00 N ATOM 1567 CA LYS A1018 2.677 19.391 -4.387 1.00 0.00 C ATOM 1568 C LYS A1018 2.357 18.498 -5.587 1.00 0.00 C ATOM 1569 O LYS A1018 1.924 17.358 -5.418 1.00 0.00 O ATOM 1570 CB LYS A1018 1.565 20.427 -4.193 1.00 0.00 C ATOM 1571 CG LYS A1018 0.166 19.832 -4.156 1.00 0.00 C ATOM 1572 CD LYS A1018 -0.885 20.903 -3.912 1.00 0.00 C ATOM 1573 CE LYS A1018 -2.293 20.338 -4.020 1.00 0.00 C ATOM 1574 NZ LYS A1018 -2.627 19.930 -5.412 1.00 0.00 N ATOM 0 H LYS A1018 3.901 21.062 -4.712 1.00 0.00 H new ATOM 0 HA LYS A1018 2.737 18.752 -3.506 1.00 0.00 H new ATOM 0 HB2 LYS A1018 1.744 20.967 -3.263 1.00 0.00 H new ATOM 0 HB3 LYS A1018 1.617 21.157 -5.001 1.00 0.00 H new ATOM 0 HG2 LYS A1018 -0.041 19.325 -5.099 1.00 0.00 H new ATOM 0 HG3 LYS A1018 0.110 19.079 -3.370 1.00 0.00 H new ATOM 0 HD2 LYS A1018 -0.741 21.337 -2.922 1.00 0.00 H new ATOM 0 HD3 LYS A1018 -0.759 21.709 -4.635 1.00 0.00 H new ATOM 0 HE2 LYS A1018 -2.390 19.478 -3.357 1.00 0.00 H new ATOM 0 HE3 LYS A1018 -3.010 21.085 -3.680 1.00 0.00 H new ATOM 0 HZ1 LYS A1018 -3.650 19.760 -5.488 1.00 0.00 H new ATOM 0 HZ2 LYS A1018 -2.351 20.686 -6.071 1.00 0.00 H new ATOM 0 HZ3 LYS A1018 -2.113 19.058 -5.651 1.00 0.00 H new ATOM 1588 N LYS A1019 2.570 19.005 -6.797 1.00 0.00 N ATOM 1589 CA LYS A1019 2.238 18.242 -7.995 1.00 0.00 C ATOM 1590 C LYS A1019 3.198 17.070 -8.176 1.00 0.00 C ATOM 1591 O LYS A1019 2.836 16.048 -8.765 1.00 0.00 O ATOM 1592 CB LYS A1019 2.211 19.132 -9.242 1.00 0.00 C ATOM 1593 CG LYS A1019 3.535 19.791 -9.579 1.00 0.00 C ATOM 1594 CD LYS A1019 3.422 20.604 -10.854 1.00 0.00 C ATOM 1595 CE LYS A1019 4.749 21.214 -11.258 1.00 0.00 C ATOM 1596 NZ LYS A1019 5.805 20.186 -11.438 1.00 0.00 N ATOM 0 H LYS A1019 2.966 19.928 -6.973 1.00 0.00 H new ATOM 0 HA LYS A1019 1.234 17.840 -7.862 1.00 0.00 H new ATOM 0 HB2 LYS A1019 1.893 18.531 -10.094 1.00 0.00 H new ATOM 0 HB3 LYS A1019 1.459 19.909 -9.101 1.00 0.00 H new ATOM 0 HG2 LYS A1019 3.845 20.436 -8.757 1.00 0.00 H new ATOM 0 HG3 LYS A1019 4.306 19.030 -9.695 1.00 0.00 H new ATOM 0 HD2 LYS A1019 3.056 19.967 -11.659 1.00 0.00 H new ATOM 0 HD3 LYS A1019 2.686 21.396 -10.715 1.00 0.00 H new ATOM 0 HE2 LYS A1019 4.624 21.771 -12.187 1.00 0.00 H new ATOM 0 HE3 LYS A1019 5.065 21.929 -10.498 1.00 0.00 H new ATOM 0 HZ1 LYS A1019 6.457 20.486 -12.191 1.00 0.00 H new ATOM 0 HZ2 LYS A1019 6.332 20.070 -10.549 1.00 0.00 H new ATOM 0 HZ3 LYS A1019 5.367 19.280 -11.701 1.00 0.00 H new ATOM 1610 N GLN A1020 4.422 17.213 -7.673 1.00 0.00 N ATOM 1611 CA GLN A1020 5.343 16.086 -7.602 1.00 0.00 C ATOM 1612 C GLN A1020 4.738 14.980 -6.743 1.00 0.00 C ATOM 1613 O GLN A1020 4.772 13.803 -7.106 1.00 0.00 O ATOM 1614 CB GLN A1020 6.683 16.521 -7.012 1.00 0.00 C ATOM 1615 CG GLN A1020 7.421 17.551 -7.849 1.00 0.00 C ATOM 1616 CD GLN A1020 8.697 18.024 -7.183 1.00 0.00 C ATOM 1617 OE1 GLN A1020 9.329 17.282 -6.433 1.00 0.00 O ATOM 1618 NE2 GLN A1020 9.085 19.258 -7.452 1.00 0.00 N ATOM 0 H GLN A1020 4.795 18.091 -7.312 1.00 0.00 H new ATOM 0 HA GLN A1020 5.513 15.712 -8.612 1.00 0.00 H new ATOM 0 HB2 GLN A1020 6.514 16.931 -6.016 1.00 0.00 H new ATOM 0 HB3 GLN A1020 7.318 15.643 -6.892 1.00 0.00 H new ATOM 0 HG2 GLN A1020 7.659 17.122 -8.822 1.00 0.00 H new ATOM 0 HG3 GLN A1020 6.769 18.406 -8.028 1.00 0.00 H new ATOM 0 HE21 GLN A1020 8.532 19.841 -8.080 1.00 0.00 H new ATOM 0 HE22 GLN A1020 9.938 19.627 -7.032 1.00 0.00 H new ATOM 1627 N MET A1021 4.163 15.379 -5.611 1.00 0.00 N ATOM 1628 CA MET A1021 3.498 14.449 -4.709 1.00 0.00 C ATOM 1629 C MET A1021 2.319 13.776 -5.406 1.00 0.00 C ATOM 1630 O MET A1021 2.122 12.574 -5.274 1.00 0.00 O ATOM 1631 CB MET A1021 3.036 15.180 -3.438 1.00 0.00 C ATOM 1632 CG MET A1021 2.172 14.343 -2.506 1.00 0.00 C ATOM 1633 SD MET A1021 0.439 14.283 -3.013 1.00 0.00 S ATOM 1634 CE MET A1021 -0.193 13.034 -1.899 1.00 0.00 C ATOM 0 H MET A1021 4.146 16.349 -5.297 1.00 0.00 H new ATOM 0 HA MET A1021 4.208 13.674 -4.422 1.00 0.00 H new ATOM 0 HB2 MET A1021 3.915 15.520 -2.890 1.00 0.00 H new ATOM 0 HB3 MET A1021 2.478 16.070 -3.729 1.00 0.00 H new ATOM 0 HG2 MET A1021 2.568 13.328 -2.466 1.00 0.00 H new ATOM 0 HG3 MET A1021 2.236 14.750 -1.497 1.00 0.00 H new ATOM 0 HE1 MET A1021 -1.267 13.170 -1.772 1.00 0.00 H new ATOM 0 HE2 MET A1021 0.002 12.045 -2.313 1.00 0.00 H new ATOM 0 HE3 MET A1021 0.301 13.126 -0.932 1.00 0.00 H new ATOM 1644 N LEU A1022 1.555 14.558 -6.164 1.00 0.00 N ATOM 1645 CA LEU A1022 0.388 14.043 -6.876 1.00 0.00 C ATOM 1646 C LEU A1022 0.786 12.908 -7.821 1.00 0.00 C ATOM 1647 O LEU A1022 0.071 11.908 -7.957 1.00 0.00 O ATOM 1648 CB LEU A1022 -0.294 15.169 -7.662 1.00 0.00 C ATOM 1649 CG LEU A1022 -1.575 14.769 -8.399 1.00 0.00 C ATOM 1650 CD1 LEU A1022 -2.657 14.352 -7.412 1.00 0.00 C ATOM 1651 CD2 LEU A1022 -2.061 15.911 -9.274 1.00 0.00 C ATOM 0 H LEU A1022 1.724 15.555 -6.302 1.00 0.00 H new ATOM 0 HA LEU A1022 -0.314 13.649 -6.141 1.00 0.00 H new ATOM 0 HB2 LEU A1022 -0.529 15.980 -6.973 1.00 0.00 H new ATOM 0 HB3 LEU A1022 0.416 15.564 -8.389 1.00 0.00 H new ATOM 0 HG LEU A1022 -1.351 13.915 -9.038 1.00 0.00 H new ATOM 0 HD11 LEU A1022 -3.558 14.072 -7.957 1.00 0.00 H new ATOM 0 HD12 LEU A1022 -2.308 13.501 -6.827 1.00 0.00 H new ATOM 0 HD13 LEU A1022 -2.881 15.184 -6.744 1.00 0.00 H new ATOM 0 HD21 LEU A1022 -2.972 15.611 -9.791 1.00 0.00 H new ATOM 0 HD22 LEU A1022 -2.267 16.783 -8.653 1.00 0.00 H new ATOM 0 HD23 LEU A1022 -1.293 16.160 -10.007 1.00 0.00 H new ATOM 1663 N THR A1023 1.933 13.061 -8.464 1.00 0.00 N ATOM 1664 CA THR A1023 2.447 12.030 -9.353 1.00 0.00 C ATOM 1665 C THR A1023 2.886 10.809 -8.545 1.00 0.00 C ATOM 1666 O THR A1023 2.538 9.670 -8.870 1.00 0.00 O ATOM 1667 CB THR A1023 3.631 12.563 -10.183 1.00 0.00 C ATOM 1668 OG1 THR A1023 3.247 13.776 -10.849 1.00 0.00 O ATOM 1669 CG2 THR A1023 4.083 11.536 -11.214 1.00 0.00 C ATOM 0 H THR A1023 2.525 13.888 -8.387 1.00 0.00 H new ATOM 0 HA THR A1023 1.649 11.740 -10.036 1.00 0.00 H new ATOM 0 HB THR A1023 4.462 12.760 -9.506 1.00 0.00 H new ATOM 0 HG1 THR A1023 3.149 14.494 -10.190 1.00 0.00 H new ATOM 0 HG21 THR A1023 4.919 11.938 -11.786 1.00 0.00 H new ATOM 0 HG22 THR A1023 4.396 10.624 -10.706 1.00 0.00 H new ATOM 0 HG23 THR A1023 3.257 11.310 -11.889 1.00 0.00 H new ATOM 1677 N ALA A1024 3.629 11.063 -7.476 1.00 0.00 N ATOM 1678 CA ALA A1024 4.081 10.005 -6.581 1.00 0.00 C ATOM 1679 C ALA A1024 2.903 9.262 -5.950 1.00 0.00 C ATOM 1680 O ALA A1024 2.965 8.053 -5.744 1.00 0.00 O ATOM 1681 CB ALA A1024 4.984 10.584 -5.504 1.00 0.00 C ATOM 0 H ALA A1024 3.933 11.998 -7.206 1.00 0.00 H new ATOM 0 HA ALA A1024 4.646 9.283 -7.171 1.00 0.00 H new ATOM 0 HB1 ALA A1024 5.317 9.786 -4.840 1.00 0.00 H new ATOM 0 HB2 ALA A1024 5.851 11.054 -5.969 1.00 0.00 H new ATOM 0 HB3 ALA A1024 4.433 11.328 -4.929 1.00 0.00 H new ATOM 1687 N ALA A1025 1.833 9.992 -5.648 1.00 0.00 N ATOM 1688 CA ALA A1025 0.634 9.405 -5.055 1.00 0.00 C ATOM 1689 C ALA A1025 0.058 8.329 -5.959 1.00 0.00 C ATOM 1690 O ALA A1025 -0.461 7.315 -5.490 1.00 0.00 O ATOM 1691 CB ALA A1025 -0.409 10.481 -4.788 1.00 0.00 C ATOM 0 H ALA A1025 1.772 10.998 -5.805 1.00 0.00 H new ATOM 0 HA ALA A1025 0.914 8.945 -4.107 1.00 0.00 H new ATOM 0 HB1 ALA A1025 -1.296 10.026 -4.346 1.00 0.00 H new ATOM 0 HB2 ALA A1025 -0.000 11.222 -4.101 1.00 0.00 H new ATOM 0 HB3 ALA A1025 -0.679 10.967 -5.726 1.00 0.00 H new ATOM 1697 N HIS A1026 0.158 8.559 -7.261 1.00 0.00 N ATOM 1698 CA HIS A1026 -0.297 7.585 -8.240 1.00 0.00 C ATOM 1699 C HIS A1026 0.589 6.344 -8.184 1.00 0.00 C ATOM 1700 O HIS A1026 0.124 5.228 -8.409 1.00 0.00 O ATOM 1701 CB HIS A1026 -0.276 8.203 -9.644 1.00 0.00 C ATOM 1702 CG HIS A1026 -1.079 7.451 -10.668 1.00 0.00 C ATOM 1703 ND1 HIS A1026 -1.037 7.748 -12.012 1.00 0.00 N ATOM 1704 CD2 HIS A1026 -1.964 6.433 -10.538 1.00 0.00 C ATOM 1705 CE1 HIS A1026 -1.863 6.949 -12.663 1.00 0.00 C ATOM 1706 NE2 HIS A1026 -2.439 6.143 -11.794 1.00 0.00 N ATOM 0 H HIS A1026 0.550 9.411 -7.662 1.00 0.00 H new ATOM 0 HA HIS A1026 -1.321 7.292 -8.008 1.00 0.00 H new ATOM 0 HB2 HIS A1026 -0.653 9.224 -9.583 1.00 0.00 H new ATOM 0 HB3 HIS A1026 0.758 8.264 -9.985 1.00 0.00 H new ATOM 0 HD2 HIS A1026 -2.244 5.941 -9.618 1.00 0.00 H new ATOM 0 HE1 HIS A1026 -2.037 6.955 -13.729 1.00 0.00 H new ATOM 0 HE2 HIS A1026 -3.125 5.422 -12.017 1.00 0.00 H new ATOM 1715 N ALA A1027 1.860 6.550 -7.851 1.00 0.00 N ATOM 1716 CA ALA A1027 2.829 5.462 -7.781 1.00 0.00 C ATOM 1717 C ALA A1027 2.595 4.561 -6.566 1.00 0.00 C ATOM 1718 O ALA A1027 2.444 3.356 -6.721 1.00 0.00 O ATOM 1719 CB ALA A1027 4.248 6.014 -7.763 1.00 0.00 C ATOM 0 H ALA A1027 2.244 7.467 -7.624 1.00 0.00 H new ATOM 0 HA ALA A1027 2.694 4.850 -8.673 1.00 0.00 H new ATOM 0 HB1 ALA A1027 4.959 5.189 -7.711 1.00 0.00 H new ATOM 0 HB2 ALA A1027 4.426 6.589 -8.672 1.00 0.00 H new ATOM 0 HB3 ALA A1027 4.376 6.659 -6.894 1.00 0.00 H new ATOM 1725 N LEU A1028 2.578 5.144 -5.367 1.00 0.00 N ATOM 1726 CA LEU A1028 2.353 4.365 -4.138 1.00 0.00 C ATOM 1727 C LEU A1028 1.006 3.629 -4.176 1.00 0.00 C ATOM 1728 O LEU A1028 0.876 2.515 -3.666 1.00 0.00 O ATOM 1729 CB LEU A1028 2.477 5.260 -2.891 1.00 0.00 C ATOM 1730 CG LEU A1028 1.940 4.669 -1.583 1.00 0.00 C ATOM 1731 CD1 LEU A1028 2.749 3.460 -1.155 1.00 0.00 C ATOM 1732 CD2 LEU A1028 1.931 5.737 -0.513 1.00 0.00 C ATOM 0 H LEU A1028 2.715 6.143 -5.216 1.00 0.00 H new ATOM 0 HA LEU A1028 3.130 3.603 -4.078 1.00 0.00 H new ATOM 0 HB2 LEU A1028 3.529 5.508 -2.749 1.00 0.00 H new ATOM 0 HB3 LEU A1028 1.953 6.195 -3.086 1.00 0.00 H new ATOM 0 HG LEU A1028 0.918 4.326 -1.742 1.00 0.00 H new ATOM 0 HD11 LEU A1028 2.344 3.063 -0.224 1.00 0.00 H new ATOM 0 HD12 LEU A1028 2.697 2.695 -1.929 1.00 0.00 H new ATOM 0 HD13 LEU A1028 3.788 3.753 -1.003 1.00 0.00 H new ATOM 0 HD21 LEU A1028 1.549 5.317 0.417 1.00 0.00 H new ATOM 0 HD22 LEU A1028 2.946 6.103 -0.356 1.00 0.00 H new ATOM 0 HD23 LEU A1028 1.292 6.562 -0.828 1.00 0.00 H new ATOM 1744 N ALA A1029 -0.002 4.255 -4.770 1.00 0.00 N ATOM 1745 CA ALA A1029 -1.266 3.565 -5.049 1.00 0.00 C ATOM 1746 C ALA A1029 -1.042 2.289 -5.876 1.00 0.00 C ATOM 1747 O ALA A1029 -1.720 1.279 -5.677 1.00 0.00 O ATOM 1748 CB ALA A1029 -2.228 4.498 -5.769 1.00 0.00 C ATOM 0 H ALA A1029 0.025 5.230 -5.068 1.00 0.00 H new ATOM 0 HA ALA A1029 -1.702 3.270 -4.094 1.00 0.00 H new ATOM 0 HB1 ALA A1029 -3.162 3.973 -5.970 1.00 0.00 H new ATOM 0 HB2 ALA A1029 -2.428 5.368 -5.143 1.00 0.00 H new ATOM 0 HB3 ALA A1029 -1.784 4.822 -6.710 1.00 0.00 H new ATOM 1754 N VAL A1030 -0.092 2.352 -6.802 1.00 0.00 N ATOM 1755 CA VAL A1030 0.288 1.187 -7.603 1.00 0.00 C ATOM 1756 C VAL A1030 0.885 0.092 -6.717 1.00 0.00 C ATOM 1757 O VAL A1030 0.661 -1.094 -6.953 1.00 0.00 O ATOM 1758 CB VAL A1030 1.290 1.550 -8.728 1.00 0.00 C ATOM 1759 CG1 VAL A1030 1.769 0.305 -9.463 1.00 0.00 C ATOM 1760 CG2 VAL A1030 0.662 2.522 -9.709 1.00 0.00 C ATOM 0 H VAL A1030 0.433 3.199 -7.019 1.00 0.00 H new ATOM 0 HA VAL A1030 -0.624 0.818 -8.073 1.00 0.00 H new ATOM 0 HB VAL A1030 2.153 2.025 -8.262 1.00 0.00 H new ATOM 0 HG11 VAL A1030 2.471 0.592 -10.246 1.00 0.00 H new ATOM 0 HG12 VAL A1030 2.264 -0.365 -8.760 1.00 0.00 H new ATOM 0 HG13 VAL A1030 0.915 -0.205 -9.910 1.00 0.00 H new ATOM 0 HG21 VAL A1030 1.381 2.765 -10.491 1.00 0.00 H new ATOM 0 HG22 VAL A1030 -0.222 2.067 -10.157 1.00 0.00 H new ATOM 0 HG23 VAL A1030 0.375 3.433 -9.185 1.00 0.00 H new ATOM 1770 N ASP A1031 1.631 0.496 -5.696 1.00 0.00 N ATOM 1771 CA ASP A1031 2.241 -0.448 -4.756 1.00 0.00 C ATOM 1772 C ASP A1031 1.169 -1.266 -4.052 1.00 0.00 C ATOM 1773 O ASP A1031 1.289 -2.489 -3.915 1.00 0.00 O ATOM 1774 CB ASP A1031 3.066 0.287 -3.699 1.00 0.00 C ATOM 1775 CG ASP A1031 4.031 1.290 -4.283 1.00 0.00 C ATOM 1776 OD1 ASP A1031 4.299 1.232 -5.502 1.00 0.00 O ATOM 1777 OD2 ASP A1031 4.509 2.148 -3.525 1.00 0.00 O ATOM 0 H ASP A1031 1.831 1.476 -5.494 1.00 0.00 H new ATOM 0 HA ASP A1031 2.893 -1.106 -5.330 1.00 0.00 H new ATOM 0 HB2 ASP A1031 2.391 0.800 -3.014 1.00 0.00 H new ATOM 0 HB3 ASP A1031 3.623 -0.443 -3.111 1.00 0.00 H new ATOM 1782 N ALA A1032 0.119 -0.577 -3.616 1.00 0.00 N ATOM 1783 CA ALA A1032 -1.038 -1.232 -3.026 1.00 0.00 C ATOM 1784 C ALA A1032 -1.647 -2.196 -4.036 1.00 0.00 C ATOM 1785 O ALA A1032 -1.790 -3.384 -3.768 1.00 0.00 O ATOM 1786 CB ALA A1032 -2.065 -0.199 -2.592 1.00 0.00 C ATOM 0 H ALA A1032 0.048 0.440 -3.662 1.00 0.00 H new ATOM 0 HA ALA A1032 -0.723 -1.791 -2.145 1.00 0.00 H new ATOM 0 HB1 ALA A1032 -2.925 -0.704 -2.152 1.00 0.00 H new ATOM 0 HB2 ALA A1032 -1.620 0.469 -1.854 1.00 0.00 H new ATOM 0 HB3 ALA A1032 -2.387 0.380 -3.458 1.00 0.00 H new ATOM 1792 N LYS A1033 -1.954 -1.674 -5.219 1.00 0.00 N ATOM 1793 CA LYS A1033 -2.535 -2.477 -6.293 1.00 0.00 C ATOM 1794 C LYS A1033 -1.676 -3.713 -6.570 1.00 0.00 C ATOM 1795 O LYS A1033 -2.202 -4.802 -6.815 1.00 0.00 O ATOM 1796 CB LYS A1033 -2.693 -1.619 -7.561 1.00 0.00 C ATOM 1797 CG LYS A1033 -3.544 -2.250 -8.659 1.00 0.00 C ATOM 1798 CD LYS A1033 -2.759 -3.244 -9.505 1.00 0.00 C ATOM 1799 CE LYS A1033 -3.652 -3.940 -10.523 1.00 0.00 C ATOM 1800 NZ LYS A1033 -4.303 -2.974 -11.451 1.00 0.00 N ATOM 0 H LYS A1033 -1.810 -0.694 -5.460 1.00 0.00 H new ATOM 0 HA LYS A1033 -3.521 -2.822 -5.982 1.00 0.00 H new ATOM 0 HB2 LYS A1033 -3.135 -0.662 -7.283 1.00 0.00 H new ATOM 0 HB3 LYS A1033 -1.703 -1.407 -7.965 1.00 0.00 H new ATOM 0 HG2 LYS A1033 -4.397 -2.756 -8.208 1.00 0.00 H new ATOM 0 HG3 LYS A1033 -3.942 -1.465 -9.302 1.00 0.00 H new ATOM 0 HD2 LYS A1033 -1.952 -2.725 -10.022 1.00 0.00 H new ATOM 0 HD3 LYS A1033 -2.296 -3.988 -8.857 1.00 0.00 H new ATOM 0 HE2 LYS A1033 -3.059 -4.651 -11.098 1.00 0.00 H new ATOM 0 HE3 LYS A1033 -4.418 -4.513 -10.001 1.00 0.00 H new ATOM 0 HZ1 LYS A1033 -4.762 -3.493 -12.226 1.00 0.00 H new ATOM 0 HZ2 LYS A1033 -5.016 -2.422 -10.933 1.00 0.00 H new ATOM 0 HZ3 LYS A1033 -3.585 -2.331 -11.842 1.00 0.00 H new ATOM 1814 N ASN A1034 -0.360 -3.552 -6.505 1.00 0.00 N ATOM 1815 CA ASN A1034 0.544 -4.655 -6.780 1.00 0.00 C ATOM 1816 C ASN A1034 0.513 -5.686 -5.657 1.00 0.00 C ATOM 1817 O ASN A1034 0.298 -6.866 -5.914 1.00 0.00 O ATOM 1818 CB ASN A1034 1.972 -4.151 -7.000 1.00 0.00 C ATOM 1819 CG ASN A1034 2.916 -5.269 -7.398 1.00 0.00 C ATOM 1820 OD1 ASN A1034 2.499 -6.276 -7.971 1.00 0.00 O ATOM 1821 ND2 ASN A1034 4.198 -5.092 -7.122 1.00 0.00 N ATOM 0 H ASN A1034 0.100 -2.674 -6.266 1.00 0.00 H new ATOM 0 HA ASN A1034 0.204 -5.138 -7.696 1.00 0.00 H new ATOM 0 HB2 ASN A1034 1.970 -3.385 -7.776 1.00 0.00 H new ATOM 0 HB3 ASN A1034 2.334 -3.679 -6.087 1.00 0.00 H new ATOM 0 HD21 ASN A1034 4.879 -5.804 -7.385 1.00 0.00 H new ATOM 0 HD22 ASN A1034 4.505 -4.244 -6.646 1.00 0.00 H new ATOM 1828 N LEU A1035 0.737 -5.252 -4.413 1.00 0.00 N ATOM 1829 CA LEU A1035 0.707 -6.177 -3.275 1.00 0.00 C ATOM 1830 C LEU A1035 -0.639 -6.890 -3.189 1.00 0.00 C ATOM 1831 O LEU A1035 -0.695 -8.037 -2.798 1.00 0.00 O ATOM 1832 CB LEU A1035 1.001 -5.468 -1.943 1.00 0.00 C ATOM 1833 CG LEU A1035 1.180 -6.415 -0.750 1.00 0.00 C ATOM 1834 CD1 LEU A1035 2.560 -7.048 -0.771 1.00 0.00 C ATOM 1835 CD2 LEU A1035 0.954 -5.692 0.560 1.00 0.00 C ATOM 0 H LEU A1035 0.938 -4.282 -4.170 1.00 0.00 H new ATOM 0 HA LEU A1035 1.495 -6.910 -3.448 1.00 0.00 H new ATOM 0 HB2 LEU A1035 1.905 -4.869 -2.055 1.00 0.00 H new ATOM 0 HB3 LEU A1035 0.186 -4.778 -1.725 1.00 0.00 H new ATOM 0 HG LEU A1035 0.433 -7.204 -0.836 1.00 0.00 H new ATOM 0 HD11 LEU A1035 2.667 -7.716 0.084 1.00 0.00 H new ATOM 0 HD12 LEU A1035 2.686 -7.615 -1.693 1.00 0.00 H new ATOM 0 HD13 LEU A1035 3.319 -6.268 -0.718 1.00 0.00 H new ATOM 0 HD21 LEU A1035 1.088 -6.388 1.388 1.00 0.00 H new ATOM 0 HD22 LEU A1035 1.670 -4.876 0.653 1.00 0.00 H new ATOM 0 HD23 LEU A1035 -0.059 -5.290 0.584 1.00 0.00 H new ATOM 1847 N LEU A1036 -1.708 -6.208 -3.576 1.00 0.00 N ATOM 1848 CA LEU A1036 -3.048 -6.799 -3.620 1.00 0.00 C ATOM 1849 C LEU A1036 -3.017 -8.091 -4.426 1.00 0.00 C ATOM 1850 O LEU A1036 -3.526 -9.127 -4.009 1.00 0.00 O ATOM 1851 CB LEU A1036 -4.019 -5.799 -4.260 1.00 0.00 C ATOM 1852 CG LEU A1036 -5.487 -6.206 -4.247 1.00 0.00 C ATOM 1853 CD1 LEU A1036 -5.961 -6.419 -2.823 1.00 0.00 C ATOM 1854 CD2 LEU A1036 -6.332 -5.150 -4.933 1.00 0.00 C ATOM 0 H LEU A1036 -1.676 -5.231 -3.869 1.00 0.00 H new ATOM 0 HA LEU A1036 -3.381 -7.028 -2.608 1.00 0.00 H new ATOM 0 HB2 LEU A1036 -3.921 -4.844 -3.744 1.00 0.00 H new ATOM 0 HB3 LEU A1036 -3.715 -5.636 -5.294 1.00 0.00 H new ATOM 0 HG LEU A1036 -5.594 -7.144 -4.792 1.00 0.00 H new ATOM 0 HD11 LEU A1036 -7.012 -6.709 -2.829 1.00 0.00 H new ATOM 0 HD12 LEU A1036 -5.369 -7.207 -2.357 1.00 0.00 H new ATOM 0 HD13 LEU A1036 -5.843 -5.494 -2.258 1.00 0.00 H new ATOM 0 HD21 LEU A1036 -7.379 -5.454 -4.916 1.00 0.00 H new ATOM 0 HD22 LEU A1036 -6.222 -4.200 -4.410 1.00 0.00 H new ATOM 0 HD23 LEU A1036 -6.004 -5.036 -5.966 1.00 0.00 H new ATOM 1866 N ASP A1037 -2.386 -7.986 -5.569 1.00 0.00 N ATOM 1867 CA ASP A1037 -2.131 -9.127 -6.440 1.00 0.00 C ATOM 1868 C ASP A1037 -1.118 -10.057 -5.773 1.00 0.00 C ATOM 1869 O ASP A1037 -1.277 -11.268 -5.771 1.00 0.00 O ATOM 1870 CB ASP A1037 -1.596 -8.649 -7.793 1.00 0.00 C ATOM 1871 CG ASP A1037 -1.456 -9.768 -8.808 1.00 0.00 C ATOM 1872 OD1 ASP A1037 -0.468 -10.527 -8.740 1.00 0.00 O ATOM 1873 OD2 ASP A1037 -2.331 -9.880 -9.693 1.00 0.00 O ATOM 0 H ASP A1037 -2.028 -7.103 -5.932 1.00 0.00 H new ATOM 0 HA ASP A1037 -3.062 -9.668 -6.607 1.00 0.00 H new ATOM 0 HB2 ASP A1037 -2.265 -7.886 -8.192 1.00 0.00 H new ATOM 0 HB3 ASP A1037 -0.625 -8.176 -7.646 1.00 0.00 H new ATOM 1878 N VAL A1038 -0.100 -9.449 -5.179 1.00 0.00 N ATOM 1879 CA VAL A1038 0.972 -10.158 -4.478 1.00 0.00 C ATOM 1880 C VAL A1038 0.448 -11.130 -3.427 1.00 0.00 C ATOM 1881 O VAL A1038 0.694 -12.323 -3.500 1.00 0.00 O ATOM 1882 CB VAL A1038 1.899 -9.146 -3.775 1.00 0.00 C ATOM 1883 CG1 VAL A1038 2.748 -9.805 -2.696 1.00 0.00 C ATOM 1884 CG2 VAL A1038 2.773 -8.430 -4.792 1.00 0.00 C ATOM 0 H VAL A1038 0.010 -8.435 -5.168 1.00 0.00 H new ATOM 0 HA VAL A1038 1.511 -10.729 -5.234 1.00 0.00 H new ATOM 0 HB VAL A1038 1.266 -8.410 -3.279 1.00 0.00 H new ATOM 0 HG11 VAL A1038 3.386 -9.056 -2.227 1.00 0.00 H new ATOM 0 HG12 VAL A1038 2.098 -10.251 -1.943 1.00 0.00 H new ATOM 0 HG13 VAL A1038 3.369 -10.581 -3.145 1.00 0.00 H new ATOM 0 HG21 VAL A1038 3.421 -7.719 -4.279 1.00 0.00 H new ATOM 0 HG22 VAL A1038 3.384 -9.159 -5.324 1.00 0.00 H new ATOM 0 HG23 VAL A1038 2.142 -7.897 -5.503 1.00 0.00 H new ATOM 1894 N ILE A1039 -0.241 -10.592 -2.441 1.00 0.00 N ATOM 1895 CA ILE A1039 -0.669 -11.359 -1.278 1.00 0.00 C ATOM 1896 C ILE A1039 -1.954 -12.156 -1.513 1.00 0.00 C ATOM 1897 O ILE A1039 -2.154 -13.194 -0.882 1.00 0.00 O ATOM 1898 CB ILE A1039 -0.795 -10.492 0.002 1.00 0.00 C ATOM 1899 CG1 ILE A1039 -1.392 -9.110 -0.276 1.00 0.00 C ATOM 1900 CG2 ILE A1039 0.566 -10.337 0.659 1.00 0.00 C ATOM 1901 CD1 ILE A1039 -2.764 -9.126 -0.909 1.00 0.00 C ATOM 0 H ILE A1039 -0.522 -9.612 -2.419 1.00 0.00 H new ATOM 0 HA ILE A1039 0.132 -12.080 -1.117 1.00 0.00 H new ATOM 0 HB ILE A1039 -1.480 -11.012 0.672 1.00 0.00 H new ATOM 0 HG12 ILE A1039 -1.447 -8.558 0.663 1.00 0.00 H new ATOM 0 HG13 ILE A1039 -0.713 -8.561 -0.929 1.00 0.00 H new ATOM 0 HG21 ILE A1039 0.469 -9.727 1.557 1.00 0.00 H new ATOM 0 HG22 ILE A1039 0.954 -11.319 0.928 1.00 0.00 H new ATOM 0 HG23 ILE A1039 1.252 -9.853 -0.036 1.00 0.00 H new ATOM 0 HD11 ILE A1039 -3.104 -8.102 -1.068 1.00 0.00 H new ATOM 0 HD12 ILE A1039 -2.717 -9.645 -1.866 1.00 0.00 H new ATOM 0 HD13 ILE A1039 -3.463 -9.642 -0.250 1.00 0.00 H new ATOM 1913 N ASP A1040 -2.843 -11.670 -2.372 1.00 0.00 N ATOM 1914 CA ASP A1040 -3.923 -12.522 -2.861 1.00 0.00 C ATOM 1915 C ASP A1040 -3.301 -13.746 -3.503 1.00 0.00 C ATOM 1916 O ASP A1040 -3.769 -14.871 -3.343 1.00 0.00 O ATOM 1917 CB ASP A1040 -4.814 -11.787 -3.863 1.00 0.00 C ATOM 1918 CG ASP A1040 -5.983 -12.633 -4.336 1.00 0.00 C ATOM 1919 OD1 ASP A1040 -6.351 -13.595 -3.634 1.00 0.00 O ATOM 1920 OD2 ASP A1040 -6.540 -12.339 -5.415 1.00 0.00 O ATOM 0 H ASP A1040 -2.841 -10.717 -2.737 1.00 0.00 H new ATOM 0 HA ASP A1040 -4.561 -12.810 -2.025 1.00 0.00 H new ATOM 0 HB2 ASP A1040 -5.193 -10.874 -3.404 1.00 0.00 H new ATOM 0 HB3 ASP A1040 -4.216 -11.487 -4.723 1.00 0.00 H new ATOM 1925 N GLN A1041 -2.190 -13.508 -4.174 1.00 0.00 N ATOM 1926 CA GLN A1041 -1.395 -14.590 -4.708 1.00 0.00 C ATOM 1927 C GLN A1041 -0.671 -15.295 -3.579 1.00 0.00 C ATOM 1928 O GLN A1041 -0.527 -16.496 -3.624 1.00 0.00 O ATOM 1929 CB GLN A1041 -0.388 -14.118 -5.747 1.00 0.00 C ATOM 1930 CG GLN A1041 -0.817 -14.379 -7.185 1.00 0.00 C ATOM 1931 CD GLN A1041 -2.219 -13.885 -7.497 1.00 0.00 C ATOM 1932 OE1 GLN A1041 -3.201 -14.618 -7.347 1.00 0.00 O ATOM 1933 NE2 GLN A1041 -2.330 -12.649 -7.945 1.00 0.00 N ATOM 0 H GLN A1041 -1.821 -12.576 -4.360 1.00 0.00 H new ATOM 0 HA GLN A1041 -2.077 -15.277 -5.208 1.00 0.00 H new ATOM 0 HB2 GLN A1041 -0.220 -13.049 -5.617 1.00 0.00 H new ATOM 0 HB3 GLN A1041 0.565 -14.615 -5.567 1.00 0.00 H new ATOM 0 HG2 GLN A1041 -0.111 -13.895 -7.860 1.00 0.00 H new ATOM 0 HG3 GLN A1041 -0.765 -15.450 -7.383 1.00 0.00 H new ATOM 0 HE21 GLN A1041 -1.497 -12.070 -8.057 1.00 0.00 H new ATOM 0 HE22 GLN A1041 -3.248 -12.272 -8.179 1.00 0.00 H new ATOM 1942 N ALA A1042 -0.221 -14.542 -2.565 1.00 0.00 N ATOM 1943 CA ALA A1042 0.418 -15.121 -1.388 1.00 0.00 C ATOM 1944 C ALA A1042 -0.455 -16.190 -0.759 1.00 0.00 C ATOM 1945 O ALA A1042 -0.015 -17.305 -0.513 1.00 0.00 O ATOM 1946 CB ALA A1042 0.711 -14.055 -0.348 1.00 0.00 C ATOM 0 H ALA A1042 -0.291 -13.525 -2.543 1.00 0.00 H new ATOM 0 HA ALA A1042 1.353 -15.570 -1.722 1.00 0.00 H new ATOM 0 HB1 ALA A1042 1.187 -14.513 0.519 1.00 0.00 H new ATOM 0 HB2 ALA A1042 1.377 -13.305 -0.774 1.00 0.00 H new ATOM 0 HB3 ALA A1042 -0.221 -13.580 -0.041 1.00 0.00 H new ATOM 1952 N ARG A1043 -1.695 -15.843 -0.485 1.00 0.00 N ATOM 1953 CA ARG A1043 -2.623 -16.788 0.101 1.00 0.00 C ATOM 1954 C ARG A1043 -2.792 -18.020 -0.798 1.00 0.00 C ATOM 1955 O ARG A1043 -3.020 -19.124 -0.303 1.00 0.00 O ATOM 1956 CB ARG A1043 -3.958 -16.105 0.384 1.00 0.00 C ATOM 1957 CG ARG A1043 -4.369 -16.172 1.852 1.00 0.00 C ATOM 1958 CD ARG A1043 -3.281 -15.631 2.774 1.00 0.00 C ATOM 1959 NE ARG A1043 -3.703 -15.621 4.178 1.00 0.00 N ATOM 1960 CZ ARG A1043 -2.890 -15.828 5.219 1.00 0.00 C ATOM 1961 NH1 ARG A1043 -1.595 -16.074 5.037 1.00 0.00 N ATOM 1962 NH2 ARG A1043 -3.383 -15.785 6.446 1.00 0.00 N ATOM 0 H ARG A1043 -2.083 -14.916 -0.658 1.00 0.00 H new ATOM 0 HA ARG A1043 -2.217 -17.138 1.050 1.00 0.00 H new ATOM 0 HB2 ARG A1043 -3.896 -15.061 0.078 1.00 0.00 H new ATOM 0 HB3 ARG A1043 -4.733 -16.570 -0.225 1.00 0.00 H new ATOM 0 HG2 ARG A1043 -5.286 -15.601 1.998 1.00 0.00 H new ATOM 0 HG3 ARG A1043 -4.591 -17.205 2.120 1.00 0.00 H new ATOM 0 HD2 ARG A1043 -2.383 -16.240 2.670 1.00 0.00 H new ATOM 0 HD3 ARG A1043 -3.017 -14.619 2.468 1.00 0.00 H new ATOM 0 HE ARG A1043 -4.688 -15.443 4.375 1.00 0.00 H new ATOM 0 HH11 ARG A1043 -1.210 -16.107 4.093 1.00 0.00 H new ATOM 0 HH12 ARG A1043 -0.988 -16.230 5.841 1.00 0.00 H new ATOM 0 HH21 ARG A1043 -4.375 -15.595 6.591 1.00 0.00 H new ATOM 0 HH22 ARG A1043 -2.771 -15.942 7.247 1.00 0.00 H new ATOM 1976 N LEU A1044 -2.666 -17.831 -2.112 1.00 0.00 N ATOM 1977 CA LEU A1044 -2.618 -18.960 -3.046 1.00 0.00 C ATOM 1978 C LEU A1044 -1.239 -19.623 -3.043 1.00 0.00 C ATOM 1979 O LEU A1044 -1.134 -20.821 -3.259 1.00 0.00 O ATOM 1980 CB LEU A1044 -2.967 -18.531 -4.474 1.00 0.00 C ATOM 1981 CG LEU A1044 -4.462 -18.479 -4.818 1.00 0.00 C ATOM 1982 CD1 LEU A1044 -5.188 -17.424 -4.001 1.00 0.00 C ATOM 1983 CD2 LEU A1044 -4.648 -18.219 -6.304 1.00 0.00 C ATOM 0 H LEU A1044 -2.596 -16.914 -2.553 1.00 0.00 H new ATOM 0 HA LEU A1044 -3.364 -19.678 -2.704 1.00 0.00 H new ATOM 0 HB2 LEU A1044 -2.540 -17.543 -4.649 1.00 0.00 H new ATOM 0 HB3 LEU A1044 -2.479 -19.217 -5.167 1.00 0.00 H new ATOM 0 HG LEU A1044 -4.897 -19.447 -4.567 1.00 0.00 H new ATOM 0 HD11 LEU A1044 -6.244 -17.417 -4.272 1.00 0.00 H new ATOM 0 HD12 LEU A1044 -5.087 -17.653 -2.940 1.00 0.00 H new ATOM 0 HD13 LEU A1044 -4.755 -16.445 -4.204 1.00 0.00 H new ATOM 0 HD21 LEU A1044 -5.712 -18.184 -6.537 1.00 0.00 H new ATOM 0 HD22 LEU A1044 -4.188 -17.267 -6.567 1.00 0.00 H new ATOM 0 HD23 LEU A1044 -4.178 -19.019 -6.875 1.00 0.00 H new ATOM 1995 N LYS A1045 -0.189 -18.837 -2.809 1.00 0.00 N ATOM 1996 CA LYS A1045 1.172 -19.361 -2.688 1.00 0.00 C ATOM 1997 C LYS A1045 1.218 -20.345 -1.542 1.00 0.00 C ATOM 1998 O LYS A1045 1.906 -21.363 -1.589 1.00 0.00 O ATOM 1999 CB LYS A1045 2.193 -18.245 -2.405 1.00 0.00 C ATOM 2000 CG LYS A1045 2.285 -17.156 -3.458 1.00 0.00 C ATOM 2001 CD LYS A1045 2.569 -17.713 -4.847 1.00 0.00 C ATOM 2002 CE LYS A1045 2.529 -16.625 -5.917 1.00 0.00 C ATOM 2003 NZ LYS A1045 3.660 -15.661 -5.797 1.00 0.00 N ATOM 0 H LYS A1045 -0.256 -17.825 -2.698 1.00 0.00 H new ATOM 0 HA LYS A1045 1.432 -19.837 -3.634 1.00 0.00 H new ATOM 0 HB2 LYS A1045 1.943 -17.782 -1.451 1.00 0.00 H new ATOM 0 HB3 LYS A1045 3.177 -18.699 -2.291 1.00 0.00 H new ATOM 0 HG2 LYS A1045 1.351 -16.595 -3.479 1.00 0.00 H new ATOM 0 HG3 LYS A1045 3.072 -16.454 -3.183 1.00 0.00 H new ATOM 0 HD2 LYS A1045 3.548 -18.192 -4.853 1.00 0.00 H new ATOM 0 HD3 LYS A1045 1.836 -18.484 -5.086 1.00 0.00 H new ATOM 0 HE2 LYS A1045 2.555 -17.089 -6.903 1.00 0.00 H new ATOM 0 HE3 LYS A1045 1.586 -16.084 -5.844 1.00 0.00 H new ATOM 0 HZ1 LYS A1045 3.549 -14.906 -6.503 1.00 0.00 H new ATOM 0 HZ2 LYS A1045 3.663 -15.246 -4.843 1.00 0.00 H new ATOM 0 HZ3 LYS A1045 4.559 -16.158 -5.961 1.00 0.00 H new ATOM 2017 N MET A1046 0.469 -20.020 -0.507 1.00 0.00 N ATOM 2018 CA MET A1046 0.395 -20.859 0.667 1.00 0.00 C ATOM 2019 C MET A1046 -0.343 -22.150 0.324 1.00 0.00 C ATOM 2020 O MET A1046 0.003 -23.235 0.806 1.00 0.00 O ATOM 2021 CB MET A1046 -0.310 -20.099 1.781 1.00 0.00 C ATOM 2022 CG MET A1046 -0.183 -20.756 3.140 1.00 0.00 C ATOM 2023 SD MET A1046 -0.882 -19.748 4.465 1.00 0.00 S ATOM 2024 CE MET A1046 -2.586 -19.606 3.930 1.00 0.00 C ATOM 0 H MET A1046 -0.100 -19.175 -0.458 1.00 0.00 H new ATOM 0 HA MET A1046 1.397 -21.121 1.008 1.00 0.00 H new ATOM 0 HB2 MET A1046 0.098 -19.090 1.835 1.00 0.00 H new ATOM 0 HB3 MET A1046 -1.367 -20.002 1.531 1.00 0.00 H new ATOM 0 HG2 MET A1046 -0.685 -21.723 3.120 1.00 0.00 H new ATOM 0 HG3 MET A1046 0.869 -20.947 3.350 1.00 0.00 H new ATOM 0 HE1 MET A1046 -3.199 -19.248 4.758 1.00 0.00 H new ATOM 0 HE2 MET A1046 -2.649 -18.901 3.101 1.00 0.00 H new ATOM 0 HE3 MET A1046 -2.948 -20.582 3.606 1.00 0.00 H new ATOM 2034 N ILE A1047 -1.357 -22.022 -0.529 1.00 0.00 N ATOM 2035 CA ILE A1047 -2.051 -23.174 -1.086 1.00 0.00 C ATOM 2036 C ILE A1047 -1.088 -23.977 -1.962 1.00 0.00 C ATOM 2037 O ILE A1047 -1.043 -25.206 -1.894 1.00 0.00 O ATOM 2038 CB ILE A1047 -3.279 -22.743 -1.923 1.00 0.00 C ATOM 2039 CG1 ILE A1047 -4.273 -21.966 -1.054 1.00 0.00 C ATOM 2040 CG2 ILE A1047 -3.958 -23.948 -2.558 1.00 0.00 C ATOM 2041 CD1 ILE A1047 -4.783 -22.743 0.145 1.00 0.00 C ATOM 0 H ILE A1047 -1.716 -21.123 -0.850 1.00 0.00 H new ATOM 0 HA ILE A1047 -2.405 -23.790 -0.259 1.00 0.00 H new ATOM 0 HB ILE A1047 -2.930 -22.091 -2.723 1.00 0.00 H new ATOM 0 HG12 ILE A1047 -3.796 -21.050 -0.704 1.00 0.00 H new ATOM 0 HG13 ILE A1047 -5.122 -21.668 -1.669 1.00 0.00 H new ATOM 0 HG21 ILE A1047 -4.818 -23.616 -3.140 1.00 0.00 H new ATOM 0 HG22 ILE A1047 -3.253 -24.460 -3.212 1.00 0.00 H new ATOM 0 HG23 ILE A1047 -4.291 -24.632 -1.777 1.00 0.00 H new ATOM 0 HD11 ILE A1047 -5.481 -22.125 0.709 1.00 0.00 H new ATOM 0 HD12 ILE A1047 -5.291 -23.645 -0.195 1.00 0.00 H new ATOM 0 HD13 ILE A1047 -3.944 -23.018 0.784 1.00 0.00 H new ATOM 2053 N SER A1048 -0.302 -23.249 -2.751 1.00 0.00 N ATOM 2054 CA SER A1048 0.680 -23.838 -3.656 1.00 0.00 C ATOM 2055 C SER A1048 1.662 -24.748 -2.916 1.00 0.00 C ATOM 2056 O SER A1048 1.933 -25.862 -3.362 1.00 0.00 O ATOM 2057 CB SER A1048 1.447 -22.725 -4.378 1.00 0.00 C ATOM 2058 OG SER A1048 0.555 -21.862 -5.071 1.00 0.00 O ATOM 0 H SER A1048 -0.329 -22.230 -2.780 1.00 0.00 H new ATOM 0 HA SER A1048 0.142 -24.450 -4.380 1.00 0.00 H new ATOM 0 HB2 SER A1048 2.028 -22.151 -3.656 1.00 0.00 H new ATOM 0 HB3 SER A1048 2.156 -23.163 -5.081 1.00 0.00 H new ATOM 0 HG SER A1048 0.122 -21.258 -4.432 1.00 0.00 H new ATOM 2064 N GLN A1049 2.192 -24.271 -1.788 1.00 0.00 N ATOM 2065 CA GLN A1049 3.161 -25.047 -1.017 1.00 0.00 C ATOM 2066 C GLN A1049 2.578 -26.379 -0.563 1.00 0.00 C ATOM 2067 O GLN A1049 3.144 -27.437 -0.839 1.00 0.00 O ATOM 2068 CB GLN A1049 3.660 -24.267 0.206 1.00 0.00 C ATOM 2069 CG GLN A1049 4.470 -25.130 1.170 1.00 0.00 C ATOM 2070 CD GLN A1049 5.006 -24.364 2.361 1.00 0.00 C ATOM 2071 OE1 GLN A1049 6.128 -23.863 2.338 1.00 0.00 O ATOM 2072 NE2 GLN A1049 4.212 -24.270 3.414 1.00 0.00 N ATOM 0 H GLN A1049 1.968 -23.358 -1.392 1.00 0.00 H new ATOM 0 HA GLN A1049 4.004 -25.240 -1.681 1.00 0.00 H new ATOM 0 HB2 GLN A1049 4.274 -23.430 -0.128 1.00 0.00 H new ATOM 0 HB3 GLN A1049 2.806 -23.844 0.735 1.00 0.00 H new ATOM 0 HG2 GLN A1049 3.844 -25.948 1.526 1.00 0.00 H new ATOM 0 HG3 GLN A1049 5.305 -25.578 0.631 1.00 0.00 H new ATOM 0 HE21 GLN A1049 3.287 -24.699 3.395 1.00 0.00 H new ATOM 0 HE22 GLN A1049 4.524 -23.768 4.245 1.00 0.00 H new