USER MOD reduce.3.24.130724 H: found=0, std=0, add=1025, rem=0, adj=36 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: A1041 GLN : amide:sc= 1.77 K(o=2.7,f=-5.5!) USER MOD Set 1.2: A1045 LYS NZ :NH3+ 143:sc= 0.906 (180deg=0) USER MOD Set 2.1: A 928 ASN : amide:sc= -1.32! X(o=-0.38!,f=-0.68) USER MOD Set 2.2: A 968 THR OG1 : rot -120:sc= 0.94 USER MOD Set 3.1: A 951 TYR OH : rot 150:sc= 0.424 USER MOD Set 3.2: A1018 LYS NZ :NH3+ 146:sc= 0.457 (180deg=0) USER MOD Set 4.1: A 940 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 944 GLN : amide:sc= 1.14 K(o=1.1,f=0.073) USER MOD Set 5.1: A 939 MET CE :methyl 164:sc= -0.859 (180deg=-2.56) USER MOD Set 5.2: A 954 MET CE :methyl -125:sc= -3.69! (180deg=-2.64!) USER MOD Single : A 921 SER OG : rot 180:sc= 0.0375 USER MOD Single : A 922 ASN : amide:sc= 0.892 K(o=0.89,f=-0.54) USER MOD Single : A 924 LYS NZ :NH3+ 169:sc=-0.00854 (180deg=-0.194) USER MOD Single : A 926 TYR OH : rot 180:sc= 0 USER MOD Single : A 930 THR OG1 : rot 94:sc= 1.24 USER MOD Single : A 934 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 941 SER OG : rot 83:sc= 1.28 USER MOD Single : A 942 LYS NZ :NH3+ -166:sc= -0.0598 (180deg=-0.294) USER MOD Single : A 956 LYS NZ :NH3+ 164:sc=-0.00715 (180deg=-0.149) USER MOD Single : A 964 THR OG1 : rot 71:sc= 0.471 USER MOD Single : A 972 SER OG : rot 37:sc= -2.69! USER MOD Single : A 979 SER OG : rot 33:sc= 1.27 USER MOD Single : A 980 THR OG1 : rot 167:sc= -3.59 USER MOD Single : A 981 HIS :FLIP no HD1:sc= -0.123 F(o=-1.6,f=-0.12) USER MOD Single : A 986 MET CE :methyl 163:sc= -0.0928 (180deg=-0.788) USER MOD Single : A 988 GLN : amide:sc= -0.756 K(o=-0.76,f=-2.5) USER MOD Single : A 989 LYS NZ :NH3+ 173:sc= 0.666 (180deg=0.494) USER MOD Single : A 992 ASN : amide:sc=-0.00349 K(o=-0.0035,f=-0.86) USER MOD Single : A 993 SER OG : rot 180:sc= 0 USER MOD Single : A1000 ASN : amide:sc= -3.66! C(o=-3.7!,f=-5.6!) USER MOD Single : A1001 LYS NZ :NH3+ 173:sc= -0.239 (180deg=-0.314) USER MOD Single : A1002 MET CE :methyl -133:sc= 0 (180deg=-1.67!) USER MOD Single : A1003 LYS NZ :NH3+ 168:sc=-0.00524 (180deg=-0.123) USER MOD Single : A1006 GLN : amide:sc= -0.26 K(o=-0.26,f=-1.8!) USER MOD Single : A1007 GLN : amide:sc= 0.113 X(o=0.11,f=-0.26) USER MOD Single : A1008 TYR OH : rot 180:sc= 0 USER MOD Single : A1014 GLN :FLIP amide:sc= -2.86 F(o=-5.6!,f=-2.9) USER MOD Single : A1015 GLN :FLIP amide:sc= -0.0628 F(o=-4.3!,f=-0.063) USER MOD Single : A1017 TYR OH : rot 180:sc= 0 USER MOD Single : A1019 LYS NZ :NH3+ 160:sc= -0.0584 (180deg=-0.41) USER MOD Single : A1020 GLN :FLIP amide:sc=-0.000874 F(o=-1.1,f=-0.00087) USER MOD Single : A1021 MET CE :methyl -108:sc= -3.81! (180deg=-5.93!) USER MOD Single : A1023 THR OG1 : rot 180:sc= 0 USER MOD Single : A1026 HIS : no HD1:sc= -0.0862 X(o=-0.086,f=-0.0061) USER MOD Single : A1033 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0443) USER MOD Single : A1034 ASN :FLIP amide:sc= -1.04 F(o=-1.8,f=-1) USER MOD Single : A1046 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A1048 SER OG : rot 180:sc= 0 USER MOD Single : A1049 GLN : amide:sc= -0.26 K(o=-0.26,f=-0.95) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 920 -8.127 -20.071 -2.306 1.00 0.00 N ATOM 2 CA ARG A 920 -8.233 -19.254 -1.108 1.00 0.00 C ATOM 3 C ARG A 920 -9.095 -18.028 -1.372 1.00 0.00 C ATOM 4 O ARG A 920 -8.953 -17.385 -2.409 1.00 0.00 O ATOM 5 CB ARG A 920 -6.844 -18.815 -0.676 1.00 0.00 C ATOM 6 CG ARG A 920 -6.808 -18.022 0.615 1.00 0.00 C ATOM 7 CD ARG A 920 -6.872 -18.925 1.826 1.00 0.00 C ATOM 8 NE ARG A 920 -7.155 -18.192 3.057 1.00 0.00 N ATOM 9 CZ ARG A 920 -6.329 -18.138 4.106 1.00 0.00 C ATOM 10 NH1 ARG A 920 -5.135 -18.718 4.051 1.00 0.00 N ATOM 11 NH2 ARG A 920 -6.700 -17.489 5.201 1.00 0.00 N ATOM 0 HA ARG A 920 -8.699 -19.844 -0.318 1.00 0.00 H new ATOM 0 HB2 ARG A 920 -6.217 -19.699 -0.562 1.00 0.00 H new ATOM 0 HB3 ARG A 920 -6.404 -18.212 -1.470 1.00 0.00 H new ATOM 0 HG2 ARG A 920 -5.895 -17.427 0.652 1.00 0.00 H new ATOM 0 HG3 ARG A 920 -7.645 -17.324 0.637 1.00 0.00 H new ATOM 0 HD2 ARG A 920 -7.643 -19.680 1.672 1.00 0.00 H new ATOM 0 HD3 ARG A 920 -5.924 -19.453 1.931 1.00 0.00 H new ATOM 0 HE ARG A 920 -8.040 -17.689 3.120 1.00 0.00 H new ATOM 0 HH11 ARG A 920 -4.844 -19.208 3.205 1.00 0.00 H new ATOM 0 HH12 ARG A 920 -4.509 -18.673 4.855 1.00 0.00 H new ATOM 0 HH21 ARG A 920 -7.612 -17.034 5.240 1.00 0.00 H new ATOM 0 HH22 ARG A 920 -6.073 -17.445 6.005 1.00 0.00 H new ATOM 25 N SER A 921 -9.946 -17.687 -0.413 1.00 0.00 N ATOM 26 CA SER A 921 -10.881 -16.578 -0.560 1.00 0.00 C ATOM 27 C SER A 921 -10.223 -15.214 -0.301 1.00 0.00 C ATOM 28 O SER A 921 -10.833 -14.320 0.285 1.00 0.00 O ATOM 29 CB SER A 921 -12.067 -16.800 0.378 1.00 0.00 C ATOM 30 OG SER A 921 -11.629 -17.201 1.668 1.00 0.00 O ATOM 0 H SER A 921 -10.008 -18.168 0.484 1.00 0.00 H new ATOM 0 HA SER A 921 -11.225 -16.557 -1.594 1.00 0.00 H new ATOM 0 HB2 SER A 921 -12.649 -15.882 0.457 1.00 0.00 H new ATOM 0 HB3 SER A 921 -12.727 -17.561 -0.039 1.00 0.00 H new ATOM 0 HG SER A 921 -12.406 -17.335 2.250 1.00 0.00 H new ATOM 36 N ASN A 922 -8.983 -15.079 -0.777 1.00 0.00 N ATOM 37 CA ASN A 922 -8.232 -13.814 -0.772 1.00 0.00 C ATOM 38 C ASN A 922 -8.281 -13.125 0.565 1.00 0.00 C ATOM 39 O ASN A 922 -8.618 -11.941 0.645 1.00 0.00 O ATOM 40 CB ASN A 922 -8.747 -12.857 -1.843 1.00 0.00 C ATOM 41 CG ASN A 922 -9.398 -13.585 -2.994 1.00 0.00 C ATOM 42 OD1 ASN A 922 -10.612 -13.790 -3.020 1.00 0.00 O ATOM 43 ND2 ASN A 922 -8.594 -13.993 -3.949 1.00 0.00 N ATOM 0 H ASN A 922 -8.461 -15.855 -1.184 1.00 0.00 H new ATOM 0 HA ASN A 922 -7.197 -14.079 -0.987 1.00 0.00 H new ATOM 0 HB2 ASN A 922 -9.466 -12.169 -1.398 1.00 0.00 H new ATOM 0 HB3 ASN A 922 -7.919 -12.255 -2.218 1.00 0.00 H new ATOM 0 HD21 ASN A 922 -8.970 -14.500 -4.750 1.00 0.00 H new ATOM 0 HD22 ASN A 922 -7.594 -13.803 -3.889 1.00 0.00 H new ATOM 50 N ASP A 923 -7.837 -13.874 1.559 1.00 0.00 N ATOM 51 CA ASP A 923 -7.857 -13.504 2.973 1.00 0.00 C ATOM 52 C ASP A 923 -7.334 -12.092 3.245 1.00 0.00 C ATOM 53 O ASP A 923 -7.147 -11.283 2.347 1.00 0.00 O ATOM 54 CB ASP A 923 -7.050 -14.529 3.775 1.00 0.00 C ATOM 55 CG ASP A 923 -5.587 -14.561 3.388 1.00 0.00 C ATOM 56 OD1 ASP A 923 -5.238 -15.302 2.449 1.00 0.00 O ATOM 57 OD2 ASP A 923 -4.787 -13.847 4.030 1.00 0.00 O ATOM 0 H ASP A 923 -7.434 -14.798 1.401 1.00 0.00 H new ATOM 0 HA ASP A 923 -8.901 -13.504 3.287 1.00 0.00 H new ATOM 0 HB2 ASP A 923 -7.135 -14.300 4.837 1.00 0.00 H new ATOM 0 HB3 ASP A 923 -7.481 -15.519 3.627 1.00 0.00 H new ATOM 62 N LYS A 924 -7.175 -11.797 4.522 1.00 0.00 N ATOM 63 CA LYS A 924 -6.728 -10.485 5.029 1.00 0.00 C ATOM 64 C LYS A 924 -5.571 -9.869 4.205 1.00 0.00 C ATOM 65 O LYS A 924 -5.216 -8.707 4.396 1.00 0.00 O ATOM 66 CB LYS A 924 -6.306 -10.651 6.495 1.00 0.00 C ATOM 67 CG LYS A 924 -6.745 -9.521 7.417 1.00 0.00 C ATOM 68 CD LYS A 924 -5.826 -8.319 7.324 1.00 0.00 C ATOM 69 CE LYS A 924 -6.287 -7.182 8.221 1.00 0.00 C ATOM 70 NZ LYS A 924 -6.339 -7.585 9.653 1.00 0.00 N ATOM 0 H LYS A 924 -7.354 -12.472 5.266 1.00 0.00 H new ATOM 0 HA LYS A 924 -7.562 -9.790 4.937 1.00 0.00 H new ATOM 0 HB2 LYS A 924 -6.714 -11.589 6.872 1.00 0.00 H new ATOM 0 HB3 LYS A 924 -5.220 -10.736 6.539 1.00 0.00 H new ATOM 0 HG2 LYS A 924 -7.761 -9.220 7.162 1.00 0.00 H new ATOM 0 HG3 LYS A 924 -6.767 -9.881 8.446 1.00 0.00 H new ATOM 0 HD2 LYS A 924 -4.814 -8.613 7.602 1.00 0.00 H new ATOM 0 HD3 LYS A 924 -5.785 -7.973 6.291 1.00 0.00 H new ATOM 0 HE2 LYS A 924 -5.611 -6.334 8.108 1.00 0.00 H new ATOM 0 HE3 LYS A 924 -7.274 -6.847 7.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 924 -6.475 -6.742 10.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 924 -7.131 -8.243 9.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 924 -5.448 -8.052 9.915 1.00 0.00 H new ATOM 84 N VAL A 925 -5.008 -10.634 3.281 1.00 0.00 N ATOM 85 CA VAL A 925 -3.999 -10.137 2.373 1.00 0.00 C ATOM 86 C VAL A 925 -4.618 -9.227 1.317 1.00 0.00 C ATOM 87 O VAL A 925 -4.233 -8.065 1.210 1.00 0.00 O ATOM 88 CB VAL A 925 -3.261 -11.296 1.656 1.00 0.00 C ATOM 89 CG1 VAL A 925 -2.213 -11.912 2.569 1.00 0.00 C ATOM 90 CG2 VAL A 925 -4.242 -12.362 1.195 1.00 0.00 C ATOM 0 H VAL A 925 -5.242 -11.617 3.144 1.00 0.00 H new ATOM 0 HA VAL A 925 -3.284 -9.573 2.973 1.00 0.00 H new ATOM 0 HB VAL A 925 -2.763 -10.882 0.779 1.00 0.00 H new ATOM 0 HG11 VAL A 925 -1.707 -12.724 2.046 1.00 0.00 H new ATOM 0 HG12 VAL A 925 -1.484 -11.152 2.851 1.00 0.00 H new ATOM 0 HG13 VAL A 925 -2.695 -12.303 3.465 1.00 0.00 H new ATOM 0 HG21 VAL A 925 -3.699 -13.164 0.695 1.00 0.00 H new ATOM 0 HG22 VAL A 925 -4.773 -12.766 2.057 1.00 0.00 H new ATOM 0 HG23 VAL A 925 -4.959 -11.922 0.502 1.00 0.00 H new ATOM 100 N TYR A 926 -5.642 -9.717 0.606 1.00 0.00 N ATOM 101 CA TYR A 926 -6.185 -8.988 -0.536 1.00 0.00 C ATOM 102 C TYR A 926 -7.051 -7.842 -0.022 1.00 0.00 C ATOM 103 O TYR A 926 -7.175 -6.787 -0.644 1.00 0.00 O ATOM 104 CB TYR A 926 -6.996 -9.971 -1.384 1.00 0.00 C ATOM 105 CG TYR A 926 -7.841 -9.346 -2.468 1.00 0.00 C ATOM 106 CD1 TYR A 926 -7.294 -9.002 -3.694 1.00 0.00 C ATOM 107 CD2 TYR A 926 -9.193 -9.116 -2.261 1.00 0.00 C ATOM 108 CE1 TYR A 926 -8.071 -8.440 -4.688 1.00 0.00 C ATOM 109 CE2 TYR A 926 -9.979 -8.559 -3.249 1.00 0.00 C ATOM 110 CZ TYR A 926 -9.413 -8.220 -4.460 1.00 0.00 C ATOM 111 OH TYR A 926 -10.196 -7.671 -5.451 1.00 0.00 O ATOM 0 H TYR A 926 -6.103 -10.605 0.802 1.00 0.00 H new ATOM 0 HA TYR A 926 -5.394 -8.562 -1.153 1.00 0.00 H new ATOM 0 HB2 TYR A 926 -6.308 -10.680 -1.846 1.00 0.00 H new ATOM 0 HB3 TYR A 926 -7.647 -10.543 -0.723 1.00 0.00 H new ATOM 0 HD1 TYR A 926 -6.244 -9.176 -3.875 1.00 0.00 H new ATOM 0 HD2 TYR A 926 -9.637 -9.377 -1.312 1.00 0.00 H new ATOM 0 HE1 TYR A 926 -7.630 -8.175 -5.638 1.00 0.00 H new ATOM 0 HE2 TYR A 926 -11.031 -8.390 -3.075 1.00 0.00 H new ATOM 0 HH TYR A 926 -11.117 -7.583 -5.129 1.00 0.00 H new ATOM 121 N GLU A 927 -7.612 -8.069 1.151 1.00 0.00 N ATOM 122 CA GLU A 927 -8.509 -7.128 1.797 1.00 0.00 C ATOM 123 C GLU A 927 -7.771 -5.933 2.395 1.00 0.00 C ATOM 124 O GLU A 927 -8.113 -4.784 2.123 1.00 0.00 O ATOM 125 CB GLU A 927 -9.282 -7.871 2.882 1.00 0.00 C ATOM 126 CG GLU A 927 -10.420 -8.719 2.336 1.00 0.00 C ATOM 127 CD GLU A 927 -11.469 -7.891 1.619 1.00 0.00 C ATOM 128 OE1 GLU A 927 -11.206 -7.433 0.491 1.00 0.00 O ATOM 129 OE2 GLU A 927 -12.556 -7.673 2.193 1.00 0.00 O ATOM 0 H GLU A 927 -7.456 -8.922 1.689 1.00 0.00 H new ATOM 0 HA GLU A 927 -9.188 -6.725 1.045 1.00 0.00 H new ATOM 0 HB2 GLU A 927 -8.594 -8.511 3.435 1.00 0.00 H new ATOM 0 HB3 GLU A 927 -9.685 -7.148 3.591 1.00 0.00 H new ATOM 0 HG2 GLU A 927 -10.017 -9.463 1.649 1.00 0.00 H new ATOM 0 HG3 GLU A 927 -10.889 -9.263 3.156 1.00 0.00 H new ATOM 136 N ASN A 928 -6.760 -6.201 3.203 1.00 0.00 N ATOM 137 CA ASN A 928 -6.072 -5.143 3.938 1.00 0.00 C ATOM 138 C ASN A 928 -5.187 -4.304 3.025 1.00 0.00 C ATOM 139 O ASN A 928 -4.986 -3.116 3.267 1.00 0.00 O ATOM 140 CB ASN A 928 -5.264 -5.731 5.088 1.00 0.00 C ATOM 141 CG ASN A 928 -4.633 -4.682 5.985 1.00 0.00 C ATOM 142 OD1 ASN A 928 -5.136 -3.569 6.125 1.00 0.00 O ATOM 143 ND2 ASN A 928 -3.537 -5.051 6.621 1.00 0.00 N ATOM 0 H ASN A 928 -6.395 -7.139 3.370 1.00 0.00 H new ATOM 0 HA ASN A 928 -6.832 -4.479 4.351 1.00 0.00 H new ATOM 0 HB2 ASN A 928 -5.913 -6.368 5.689 1.00 0.00 H new ATOM 0 HB3 ASN A 928 -4.479 -6.369 4.681 1.00 0.00 H new ATOM 0 HD21 ASN A 928 -3.074 -4.402 7.258 1.00 0.00 H new ATOM 0 HD22 ASN A 928 -3.153 -5.985 6.476 1.00 0.00 H new ATOM 150 N VAL A 929 -4.646 -4.906 1.979 1.00 0.00 N ATOM 151 CA VAL A 929 -3.878 -4.132 1.019 1.00 0.00 C ATOM 152 C VAL A 929 -4.798 -3.130 0.313 1.00 0.00 C ATOM 153 O VAL A 929 -4.423 -1.977 0.097 1.00 0.00 O ATOM 154 CB VAL A 929 -3.140 -5.020 -0.003 1.00 0.00 C ATOM 155 CG1 VAL A 929 -4.112 -5.745 -0.903 1.00 0.00 C ATOM 156 CG2 VAL A 929 -2.162 -4.189 -0.813 1.00 0.00 C ATOM 0 H VAL A 929 -4.721 -5.903 1.776 1.00 0.00 H new ATOM 0 HA VAL A 929 -3.106 -3.592 1.568 1.00 0.00 H new ATOM 0 HB VAL A 929 -2.578 -5.776 0.546 1.00 0.00 H new ATOM 0 HG11 VAL A 929 -3.560 -6.362 -1.612 1.00 0.00 H new ATOM 0 HG12 VAL A 929 -4.763 -6.378 -0.300 1.00 0.00 H new ATOM 0 HG13 VAL A 929 -4.715 -5.018 -1.447 1.00 0.00 H new ATOM 0 HG21 VAL A 929 -1.648 -4.829 -1.530 1.00 0.00 H new ATOM 0 HG22 VAL A 929 -2.703 -3.407 -1.346 1.00 0.00 H new ATOM 0 HG23 VAL A 929 -1.431 -3.733 -0.145 1.00 0.00 H new ATOM 166 N THR A 930 -6.002 -3.580 -0.054 1.00 0.00 N ATOM 167 CA THR A 930 -7.068 -2.676 -0.467 1.00 0.00 C ATOM 168 C THR A 930 -7.278 -1.584 0.579 1.00 0.00 C ATOM 169 O THR A 930 -7.630 -0.456 0.246 1.00 0.00 O ATOM 170 CB THR A 930 -8.387 -3.447 -0.697 1.00 0.00 C ATOM 171 OG1 THR A 930 -8.175 -4.478 -1.669 1.00 0.00 O ATOM 172 CG2 THR A 930 -9.496 -2.522 -1.179 1.00 0.00 C ATOM 0 H THR A 930 -6.258 -4.567 -0.072 1.00 0.00 H new ATOM 0 HA THR A 930 -6.770 -2.212 -1.407 1.00 0.00 H new ATOM 0 HB THR A 930 -8.694 -3.882 0.254 1.00 0.00 H new ATOM 0 HG1 THR A 930 -7.967 -5.320 -1.213 1.00 0.00 H new ATOM 0 HG21 THR A 930 -10.409 -3.097 -1.331 1.00 0.00 H new ATOM 0 HG22 THR A 930 -9.674 -1.748 -0.433 1.00 0.00 H new ATOM 0 HG23 THR A 930 -9.199 -2.058 -2.119 1.00 0.00 H new ATOM 180 N GLY A 931 -7.014 -1.921 1.836 1.00 0.00 N ATOM 181 CA GLY A 931 -7.095 -0.956 2.913 1.00 0.00 C ATOM 182 C GLY A 931 -6.130 0.200 2.721 1.00 0.00 C ATOM 183 O GLY A 931 -6.423 1.325 3.129 1.00 0.00 O ATOM 0 H GLY A 931 -6.742 -2.859 2.130 1.00 0.00 H new ATOM 0 HA2 GLY A 931 -8.113 -0.571 2.978 1.00 0.00 H new ATOM 0 HA3 GLY A 931 -6.881 -1.452 3.860 1.00 0.00 H new ATOM 187 N LEU A 932 -4.982 -0.062 2.093 1.00 0.00 N ATOM 188 CA LEU A 932 -4.046 1.006 1.770 1.00 0.00 C ATOM 189 C LEU A 932 -4.684 1.916 0.724 1.00 0.00 C ATOM 190 O LEU A 932 -4.610 3.142 0.812 1.00 0.00 O ATOM 191 CB LEU A 932 -2.726 0.425 1.247 1.00 0.00 C ATOM 192 CG LEU A 932 -1.459 1.217 1.606 1.00 0.00 C ATOM 193 CD1 LEU A 932 -0.222 0.515 1.074 1.00 0.00 C ATOM 194 CD2 LEU A 932 -1.520 2.636 1.068 1.00 0.00 C ATOM 0 H LEU A 932 -4.684 -0.993 1.803 1.00 0.00 H new ATOM 0 HA LEU A 932 -3.822 1.582 2.668 1.00 0.00 H new ATOM 0 HB2 LEU A 932 -2.619 -0.589 1.632 1.00 0.00 H new ATOM 0 HB3 LEU A 932 -2.789 0.349 0.161 1.00 0.00 H new ATOM 0 HG LEU A 932 -1.401 1.267 2.693 1.00 0.00 H new ATOM 0 HD11 LEU A 932 0.665 1.091 1.338 1.00 0.00 H new ATOM 0 HD12 LEU A 932 -0.152 -0.481 1.512 1.00 0.00 H new ATOM 0 HD13 LEU A 932 -0.290 0.430 -0.011 1.00 0.00 H new ATOM 0 HD21 LEU A 932 -0.608 3.168 1.340 1.00 0.00 H new ATOM 0 HD22 LEU A 932 -1.615 2.610 -0.018 1.00 0.00 H new ATOM 0 HD23 LEU A 932 -2.381 3.150 1.495 1.00 0.00 H new ATOM 206 N VAL A 933 -5.344 1.295 -0.247 1.00 0.00 N ATOM 207 CA VAL A 933 -6.061 2.020 -1.285 1.00 0.00 C ATOM 208 C VAL A 933 -7.211 2.823 -0.671 1.00 0.00 C ATOM 209 O VAL A 933 -7.542 3.912 -1.128 1.00 0.00 O ATOM 210 CB VAL A 933 -6.615 1.061 -2.364 1.00 0.00 C ATOM 211 CG1 VAL A 933 -7.257 1.838 -3.504 1.00 0.00 C ATOM 212 CG2 VAL A 933 -5.512 0.150 -2.890 1.00 0.00 C ATOM 0 H VAL A 933 -5.396 0.280 -0.335 1.00 0.00 H new ATOM 0 HA VAL A 933 -5.355 2.700 -1.762 1.00 0.00 H new ATOM 0 HB VAL A 933 -7.383 0.440 -1.903 1.00 0.00 H new ATOM 0 HG11 VAL A 933 -7.639 1.141 -4.250 1.00 0.00 H new ATOM 0 HG12 VAL A 933 -8.078 2.441 -3.116 1.00 0.00 H new ATOM 0 HG13 VAL A 933 -6.514 2.490 -3.964 1.00 0.00 H new ATOM 0 HG21 VAL A 933 -5.922 -0.517 -3.648 1.00 0.00 H new ATOM 0 HG22 VAL A 933 -4.719 0.755 -3.330 1.00 0.00 H new ATOM 0 HG23 VAL A 933 -5.105 -0.440 -2.069 1.00 0.00 H new ATOM 222 N LYS A 934 -7.796 2.286 0.387 1.00 0.00 N ATOM 223 CA LYS A 934 -8.897 2.947 1.072 1.00 0.00 C ATOM 224 C LYS A 934 -8.361 4.123 1.874 1.00 0.00 C ATOM 225 O LYS A 934 -9.039 5.132 2.062 1.00 0.00 O ATOM 226 CB LYS A 934 -9.631 1.978 2.009 1.00 0.00 C ATOM 227 CG LYS A 934 -10.110 0.682 1.361 1.00 0.00 C ATOM 228 CD LYS A 934 -11.158 0.911 0.275 1.00 0.00 C ATOM 229 CE LYS A 934 -10.527 1.250 -1.068 1.00 0.00 C ATOM 230 NZ LYS A 934 -11.548 1.405 -2.136 1.00 0.00 N ATOM 0 H LYS A 934 -7.526 1.390 0.792 1.00 0.00 H new ATOM 0 HA LYS A 934 -9.606 3.298 0.322 1.00 0.00 H new ATOM 0 HB2 LYS A 934 -8.968 1.727 2.837 1.00 0.00 H new ATOM 0 HB3 LYS A 934 -10.493 2.492 2.434 1.00 0.00 H new ATOM 0 HG2 LYS A 934 -9.256 0.160 0.930 1.00 0.00 H new ATOM 0 HG3 LYS A 934 -10.527 0.030 2.129 1.00 0.00 H new ATOM 0 HD2 LYS A 934 -11.773 0.017 0.171 1.00 0.00 H new ATOM 0 HD3 LYS A 934 -11.822 1.721 0.578 1.00 0.00 H new ATOM 0 HE2 LYS A 934 -9.954 2.173 -0.977 1.00 0.00 H new ATOM 0 HE3 LYS A 934 -9.825 0.465 -1.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 934 -11.078 1.635 -3.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 934 -12.079 0.517 -2.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 934 -12.203 2.172 -1.881 1.00 0.00 H new ATOM 244 N ALA A 935 -7.132 3.984 2.345 1.00 0.00 N ATOM 245 CA ALA A 935 -6.490 5.026 3.127 1.00 0.00 C ATOM 246 C ALA A 935 -5.982 6.143 2.237 1.00 0.00 C ATOM 247 O ALA A 935 -5.919 7.298 2.647 1.00 0.00 O ATOM 248 CB ALA A 935 -5.356 4.451 3.937 1.00 0.00 C ATOM 0 H ALA A 935 -6.557 3.154 2.198 1.00 0.00 H new ATOM 0 HA ALA A 935 -7.234 5.443 3.805 1.00 0.00 H new ATOM 0 HB1 ALA A 935 -4.885 5.244 4.518 1.00 0.00 H new ATOM 0 HB2 ALA A 935 -5.742 3.687 4.612 1.00 0.00 H new ATOM 0 HB3 ALA A 935 -4.620 4.005 3.268 1.00 0.00 H new ATOM 254 N VAL A 936 -5.609 5.810 1.014 1.00 0.00 N ATOM 255 CA VAL A 936 -5.212 6.836 0.071 1.00 0.00 C ATOM 256 C VAL A 936 -6.455 7.503 -0.514 1.00 0.00 C ATOM 257 O VAL A 936 -6.384 8.567 -1.128 1.00 0.00 O ATOM 258 CB VAL A 936 -4.266 6.295 -1.026 1.00 0.00 C ATOM 259 CG1 VAL A 936 -4.971 5.303 -1.934 1.00 0.00 C ATOM 260 CG2 VAL A 936 -3.658 7.432 -1.836 1.00 0.00 C ATOM 0 H VAL A 936 -5.573 4.855 0.657 1.00 0.00 H new ATOM 0 HA VAL A 936 -4.635 7.589 0.607 1.00 0.00 H new ATOM 0 HB VAL A 936 -3.457 5.765 -0.523 1.00 0.00 H new ATOM 0 HG11 VAL A 936 -4.274 4.945 -2.692 1.00 0.00 H new ATOM 0 HG12 VAL A 936 -5.329 4.460 -1.343 1.00 0.00 H new ATOM 0 HG13 VAL A 936 -5.816 5.791 -2.419 1.00 0.00 H new ATOM 0 HG21 VAL A 936 -2.997 7.022 -2.600 1.00 0.00 H new ATOM 0 HG22 VAL A 936 -4.453 8.004 -2.313 1.00 0.00 H new ATOM 0 HG23 VAL A 936 -3.088 8.085 -1.175 1.00 0.00 H new ATOM 270 N ILE A 937 -7.611 6.881 -0.283 1.00 0.00 N ATOM 271 CA ILE A 937 -8.881 7.554 -0.497 1.00 0.00 C ATOM 272 C ILE A 937 -9.049 8.629 0.574 1.00 0.00 C ATOM 273 O ILE A 937 -9.527 9.729 0.301 1.00 0.00 O ATOM 274 CB ILE A 937 -10.082 6.578 -0.461 1.00 0.00 C ATOM 275 CG1 ILE A 937 -9.994 5.578 -1.616 1.00 0.00 C ATOM 276 CG2 ILE A 937 -11.403 7.335 -0.517 1.00 0.00 C ATOM 277 CD1 ILE A 937 -9.987 6.220 -2.991 1.00 0.00 C ATOM 0 H ILE A 937 -7.689 5.920 0.050 1.00 0.00 H new ATOM 0 HA ILE A 937 -8.867 7.999 -1.492 1.00 0.00 H new ATOM 0 HB ILE A 937 -10.043 6.030 0.481 1.00 0.00 H new ATOM 0 HG12 ILE A 937 -9.088 4.983 -1.500 1.00 0.00 H new ATOM 0 HG13 ILE A 937 -10.837 4.890 -1.552 1.00 0.00 H new ATOM 0 HG21 ILE A 937 -12.230 6.626 -0.490 1.00 0.00 H new ATOM 0 HG22 ILE A 937 -11.474 8.007 0.338 1.00 0.00 H new ATOM 0 HG23 ILE A 937 -11.452 7.914 -1.439 1.00 0.00 H new ATOM 0 HD11 ILE A 937 -9.923 5.445 -3.754 1.00 0.00 H new ATOM 0 HD12 ILE A 937 -10.905 6.791 -3.130 1.00 0.00 H new ATOM 0 HD13 ILE A 937 -9.128 6.886 -3.077 1.00 0.00 H new ATOM 289 N GLU A 938 -8.621 8.298 1.797 1.00 0.00 N ATOM 290 CA GLU A 938 -8.564 9.267 2.892 1.00 0.00 C ATOM 291 C GLU A 938 -7.614 10.393 2.521 1.00 0.00 C ATOM 292 O GLU A 938 -7.917 11.564 2.704 1.00 0.00 O ATOM 293 CB GLU A 938 -8.081 8.600 4.186 1.00 0.00 C ATOM 294 CG GLU A 938 -8.984 7.463 4.645 1.00 0.00 C ATOM 295 CD GLU A 938 -8.545 6.834 5.952 1.00 0.00 C ATOM 296 OE1 GLU A 938 -8.976 7.310 7.024 1.00 0.00 O ATOM 297 OE2 GLU A 938 -7.791 5.840 5.915 1.00 0.00 O ATOM 0 H GLU A 938 -8.308 7.361 2.052 1.00 0.00 H new ATOM 0 HA GLU A 938 -9.566 9.663 3.058 1.00 0.00 H new ATOM 0 HB2 GLU A 938 -7.072 8.216 4.035 1.00 0.00 H new ATOM 0 HB3 GLU A 938 -8.022 9.350 4.974 1.00 0.00 H new ATOM 0 HG2 GLU A 938 -10.001 7.839 4.755 1.00 0.00 H new ATOM 0 HG3 GLU A 938 -9.010 6.695 3.872 1.00 0.00 H new ATOM 304 N MET A 939 -6.469 10.003 1.982 1.00 0.00 N ATOM 305 CA MET A 939 -5.478 10.954 1.497 1.00 0.00 C ATOM 306 C MET A 939 -6.088 11.882 0.449 1.00 0.00 C ATOM 307 O MET A 939 -5.906 13.097 0.503 1.00 0.00 O ATOM 308 CB MET A 939 -4.277 10.223 0.899 1.00 0.00 C ATOM 309 CG MET A 939 -3.204 11.159 0.383 1.00 0.00 C ATOM 310 SD MET A 939 -1.820 10.287 -0.365 1.00 0.00 S ATOM 311 CE MET A 939 -0.729 11.660 -0.710 1.00 0.00 C ATOM 0 H MET A 939 -6.201 9.025 1.868 1.00 0.00 H new ATOM 0 HA MET A 939 -5.143 11.551 2.346 1.00 0.00 H new ATOM 0 HB2 MET A 939 -3.845 9.568 1.656 1.00 0.00 H new ATOM 0 HB3 MET A 939 -4.617 9.586 0.083 1.00 0.00 H new ATOM 0 HG2 MET A 939 -3.641 11.836 -0.351 1.00 0.00 H new ATOM 0 HG3 MET A 939 -2.838 11.774 1.205 1.00 0.00 H new ATOM 0 HE1 MET A 939 0.275 11.286 -0.908 1.00 0.00 H new ATOM 0 HE2 MET A 939 -1.092 12.203 -1.582 1.00 0.00 H new ATOM 0 HE3 MET A 939 -0.704 12.330 0.150 1.00 0.00 H new ATOM 321 N SER A 940 -6.832 11.307 -0.488 1.00 0.00 N ATOM 322 CA SER A 940 -7.500 12.090 -1.519 1.00 0.00 C ATOM 323 C SER A 940 -8.590 12.973 -0.904 1.00 0.00 C ATOM 324 O SER A 940 -8.819 14.101 -1.353 1.00 0.00 O ATOM 325 CB SER A 940 -8.103 11.162 -2.580 1.00 0.00 C ATOM 326 OG SER A 940 -8.549 11.893 -3.712 1.00 0.00 O ATOM 0 H SER A 940 -6.988 10.301 -0.555 1.00 0.00 H new ATOM 0 HA SER A 940 -6.762 12.736 -1.995 1.00 0.00 H new ATOM 0 HB2 SER A 940 -7.359 10.428 -2.889 1.00 0.00 H new ATOM 0 HB3 SER A 940 -8.938 10.609 -2.150 1.00 0.00 H new ATOM 0 HG SER A 940 -8.927 11.275 -4.372 1.00 0.00 H new ATOM 332 N SER A 941 -9.238 12.475 0.145 1.00 0.00 N ATOM 333 CA SER A 941 -10.327 13.206 0.777 1.00 0.00 C ATOM 334 C SER A 941 -9.752 14.323 1.628 1.00 0.00 C ATOM 335 O SER A 941 -10.367 15.365 1.839 1.00 0.00 O ATOM 336 CB SER A 941 -11.178 12.264 1.630 1.00 0.00 C ATOM 337 OG SER A 941 -11.705 11.199 0.851 1.00 0.00 O ATOM 0 H SER A 941 -9.028 11.573 0.572 1.00 0.00 H new ATOM 0 HA SER A 941 -10.968 13.635 0.007 1.00 0.00 H new ATOM 0 HB2 SER A 941 -10.574 11.859 2.442 1.00 0.00 H new ATOM 0 HB3 SER A 941 -11.995 12.822 2.088 1.00 0.00 H new ATOM 0 HG SER A 941 -11.032 10.492 0.766 1.00 0.00 H new ATOM 343 N LYS A 942 -8.555 14.078 2.102 1.00 0.00 N ATOM 344 CA LYS A 942 -7.805 15.041 2.869 1.00 0.00 C ATOM 345 C LYS A 942 -7.350 16.197 2.003 1.00 0.00 C ATOM 346 O LYS A 942 -7.755 17.334 2.201 1.00 0.00 O ATOM 347 CB LYS A 942 -6.588 14.352 3.460 1.00 0.00 C ATOM 348 CG LYS A 942 -6.817 13.752 4.821 1.00 0.00 C ATOM 349 CD LYS A 942 -6.754 14.833 5.866 1.00 0.00 C ATOM 350 CE LYS A 942 -6.976 14.273 7.261 1.00 0.00 C ATOM 351 NZ LYS A 942 -8.289 13.583 7.385 1.00 0.00 N ATOM 0 H LYS A 942 -8.068 13.192 1.964 1.00 0.00 H new ATOM 0 HA LYS A 942 -8.446 15.436 3.657 1.00 0.00 H new ATOM 0 HB2 LYS A 942 -6.264 13.565 2.779 1.00 0.00 H new ATOM 0 HB3 LYS A 942 -5.773 15.073 3.526 1.00 0.00 H new ATOM 0 HG2 LYS A 942 -7.788 13.257 4.853 1.00 0.00 H new ATOM 0 HG3 LYS A 942 -6.064 12.990 5.025 1.00 0.00 H new ATOM 0 HD2 LYS A 942 -5.784 15.327 5.821 1.00 0.00 H new ATOM 0 HD3 LYS A 942 -7.508 15.591 5.653 1.00 0.00 H new ATOM 0 HE2 LYS A 942 -6.175 13.574 7.502 1.00 0.00 H new ATOM 0 HE3 LYS A 942 -6.922 15.083 7.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 942 -8.506 13.427 8.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 942 -9.032 14.172 6.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 942 -8.248 12.667 6.894 1.00 0.00 H new ATOM 365 N ILE A 943 -6.532 15.877 1.018 1.00 0.00 N ATOM 366 CA ILE A 943 -5.803 16.883 0.267 1.00 0.00 C ATOM 367 C ILE A 943 -6.737 17.883 -0.432 1.00 0.00 C ATOM 368 O ILE A 943 -6.391 19.057 -0.589 1.00 0.00 O ATOM 369 CB ILE A 943 -4.849 16.205 -0.761 1.00 0.00 C ATOM 370 CG1 ILE A 943 -3.911 17.217 -1.446 1.00 0.00 C ATOM 371 CG2 ILE A 943 -5.637 15.415 -1.801 1.00 0.00 C ATOM 372 CD1 ILE A 943 -4.471 17.861 -2.702 1.00 0.00 C ATOM 0 H ILE A 943 -6.354 14.919 0.717 1.00 0.00 H new ATOM 0 HA ILE A 943 -5.209 17.453 0.981 1.00 0.00 H new ATOM 0 HB ILE A 943 -4.222 15.513 -0.199 1.00 0.00 H new ATOM 0 HG12 ILE A 943 -3.664 18.003 -0.732 1.00 0.00 H new ATOM 0 HG13 ILE A 943 -2.979 16.712 -1.699 1.00 0.00 H new ATOM 0 HG21 ILE A 943 -4.947 14.952 -2.506 1.00 0.00 H new ATOM 0 HG22 ILE A 943 -6.221 14.641 -1.304 1.00 0.00 H new ATOM 0 HG23 ILE A 943 -6.307 16.087 -2.337 1.00 0.00 H new ATOM 0 HD11 ILE A 943 -3.739 18.557 -3.111 1.00 0.00 H new ATOM 0 HD12 ILE A 943 -4.690 17.089 -3.440 1.00 0.00 H new ATOM 0 HD13 ILE A 943 -5.387 18.400 -2.458 1.00 0.00 H new ATOM 384 N GLN A 944 -7.920 17.433 -0.840 1.00 0.00 N ATOM 385 CA GLN A 944 -8.813 18.299 -1.600 1.00 0.00 C ATOM 386 C GLN A 944 -9.475 19.377 -0.718 1.00 0.00 C ATOM 387 O GLN A 944 -9.220 20.565 -0.926 1.00 0.00 O ATOM 388 CB GLN A 944 -9.854 17.468 -2.363 1.00 0.00 C ATOM 389 CG GLN A 944 -9.248 16.606 -3.457 1.00 0.00 C ATOM 390 CD GLN A 944 -10.260 15.706 -4.131 1.00 0.00 C ATOM 391 OE1 GLN A 944 -10.920 16.098 -5.091 1.00 0.00 O ATOM 392 NE2 GLN A 944 -10.361 14.485 -3.647 1.00 0.00 N ATOM 0 H GLN A 944 -8.277 16.494 -0.662 1.00 0.00 H new ATOM 0 HA GLN A 944 -8.206 18.834 -2.331 1.00 0.00 H new ATOM 0 HB2 GLN A 944 -10.386 16.828 -1.659 1.00 0.00 H new ATOM 0 HB3 GLN A 944 -10.592 18.138 -2.804 1.00 0.00 H new ATOM 0 HG2 GLN A 944 -8.788 17.250 -4.206 1.00 0.00 H new ATOM 0 HG3 GLN A 944 -8.453 15.994 -3.031 1.00 0.00 H new ATOM 0 HE21 GLN A 944 -9.792 14.204 -2.848 1.00 0.00 H new ATOM 0 HE22 GLN A 944 -11.008 13.820 -4.071 1.00 0.00 H new ATOM 401 N PRO A 945 -10.324 19.023 0.277 1.00 0.00 N ATOM 402 CA PRO A 945 -10.957 20.033 1.128 1.00 0.00 C ATOM 403 C PRO A 945 -10.164 20.394 2.393 1.00 0.00 C ATOM 404 O PRO A 945 -10.706 21.022 3.305 1.00 0.00 O ATOM 405 CB PRO A 945 -12.278 19.371 1.496 1.00 0.00 C ATOM 406 CG PRO A 945 -11.972 17.916 1.532 1.00 0.00 C ATOM 407 CD PRO A 945 -10.817 17.683 0.585 1.00 0.00 C ATOM 0 HA PRO A 945 -11.044 20.987 0.608 1.00 0.00 H new ATOM 0 HB2 PRO A 945 -12.643 19.723 2.461 1.00 0.00 H new ATOM 0 HB3 PRO A 945 -13.052 19.595 0.762 1.00 0.00 H new ATOM 0 HG2 PRO A 945 -11.711 17.602 2.543 1.00 0.00 H new ATOM 0 HG3 PRO A 945 -12.841 17.332 1.231 1.00 0.00 H new ATOM 0 HD2 PRO A 945 -10.042 17.071 1.046 1.00 0.00 H new ATOM 0 HD3 PRO A 945 -11.141 17.162 -0.316 1.00 0.00 H new ATOM 415 N ALA A 946 -8.894 20.018 2.460 1.00 0.00 N ATOM 416 CA ALA A 946 -8.054 20.404 3.592 1.00 0.00 C ATOM 417 C ALA A 946 -6.758 21.066 3.118 1.00 0.00 C ATOM 418 O ALA A 946 -6.304 20.825 1.999 1.00 0.00 O ATOM 419 CB ALA A 946 -7.762 19.198 4.476 1.00 0.00 C ATOM 0 H ALA A 946 -8.424 19.452 1.753 1.00 0.00 H new ATOM 0 HA ALA A 946 -8.600 21.138 4.185 1.00 0.00 H new ATOM 0 HB1 ALA A 946 -7.135 19.504 5.314 1.00 0.00 H new ATOM 0 HB2 ALA A 946 -8.699 18.789 4.854 1.00 0.00 H new ATOM 0 HB3 ALA A 946 -7.243 18.437 3.893 1.00 0.00 H new ATOM 425 N PRO A 947 -6.164 21.932 3.959 1.00 0.00 N ATOM 426 CA PRO A 947 -4.949 22.683 3.627 1.00 0.00 C ATOM 427 C PRO A 947 -3.667 21.848 3.811 1.00 0.00 C ATOM 428 O PRO A 947 -3.731 20.702 4.255 1.00 0.00 O ATOM 429 CB PRO A 947 -4.987 23.867 4.617 1.00 0.00 C ATOM 430 CG PRO A 947 -6.240 23.708 5.423 1.00 0.00 C ATOM 431 CD PRO A 947 -6.633 22.269 5.304 1.00 0.00 C ATOM 0 HA PRO A 947 -4.927 22.987 2.581 1.00 0.00 H new ATOM 0 HB2 PRO A 947 -4.108 23.862 5.262 1.00 0.00 H new ATOM 0 HB3 PRO A 947 -4.986 24.818 4.084 1.00 0.00 H new ATOM 0 HG2 PRO A 947 -6.070 23.980 6.465 1.00 0.00 H new ATOM 0 HG3 PRO A 947 -7.029 24.359 5.048 1.00 0.00 H new ATOM 0 HD2 PRO A 947 -6.158 21.653 6.067 1.00 0.00 H new ATOM 0 HD3 PRO A 947 -7.709 22.131 5.407 1.00 0.00 H new ATOM 439 N PRO A 948 -2.486 22.416 3.458 1.00 0.00 N ATOM 440 CA PRO A 948 -1.184 21.718 3.531 1.00 0.00 C ATOM 441 C PRO A 948 -0.889 21.055 4.870 1.00 0.00 C ATOM 442 O PRO A 948 -0.220 20.007 4.928 1.00 0.00 O ATOM 443 CB PRO A 948 -0.174 22.827 3.247 1.00 0.00 C ATOM 444 CG PRO A 948 -0.918 23.792 2.395 1.00 0.00 C ATOM 445 CD PRO A 948 -2.329 23.782 2.913 1.00 0.00 C ATOM 0 HA PRO A 948 -1.157 20.885 2.828 1.00 0.00 H new ATOM 0 HB2 PRO A 948 0.173 23.295 4.168 1.00 0.00 H new ATOM 0 HB3 PRO A 948 0.707 22.441 2.735 1.00 0.00 H new ATOM 0 HG2 PRO A 948 -0.483 24.789 2.460 1.00 0.00 H new ATOM 0 HG3 PRO A 948 -0.883 23.497 1.346 1.00 0.00 H new ATOM 0 HD2 PRO A 948 -2.480 24.541 3.681 1.00 0.00 H new ATOM 0 HD3 PRO A 948 -3.049 23.983 2.120 1.00 0.00 H new ATOM 453 N GLU A 949 -1.378 21.644 5.939 1.00 0.00 N ATOM 454 CA GLU A 949 -1.233 21.045 7.248 1.00 0.00 C ATOM 455 C GLU A 949 -1.797 19.633 7.264 1.00 0.00 C ATOM 456 O GLU A 949 -1.280 18.768 7.962 1.00 0.00 O ATOM 457 CB GLU A 949 -1.904 21.893 8.316 1.00 0.00 C ATOM 458 CG GLU A 949 -3.183 22.574 7.869 1.00 0.00 C ATOM 459 CD GLU A 949 -2.931 23.976 7.352 1.00 0.00 C ATOM 460 OE1 GLU A 949 -2.339 24.116 6.264 1.00 0.00 O ATOM 461 OE2 GLU A 949 -3.332 24.942 8.033 1.00 0.00 O ATOM 0 H GLU A 949 -1.877 22.533 5.929 1.00 0.00 H new ATOM 0 HA GLU A 949 -0.167 20.994 7.472 1.00 0.00 H new ATOM 0 HB2 GLU A 949 -2.125 21.262 9.177 1.00 0.00 H new ATOM 0 HB3 GLU A 949 -1.200 22.655 8.652 1.00 0.00 H new ATOM 0 HG2 GLU A 949 -3.656 21.979 7.087 1.00 0.00 H new ATOM 0 HG3 GLU A 949 -3.882 22.616 8.704 1.00 0.00 H new ATOM 468 N GLU A 950 -2.835 19.393 6.468 1.00 0.00 N ATOM 469 CA GLU A 950 -3.402 18.061 6.352 1.00 0.00 C ATOM 470 C GLU A 950 -2.771 17.283 5.211 1.00 0.00 C ATOM 471 O GLU A 950 -3.111 16.124 4.996 1.00 0.00 O ATOM 472 CB GLU A 950 -4.910 18.094 6.155 1.00 0.00 C ATOM 473 CG GLU A 950 -5.708 18.145 7.450 1.00 0.00 C ATOM 474 CD GLU A 950 -5.340 19.315 8.335 1.00 0.00 C ATOM 475 OE1 GLU A 950 -5.878 20.417 8.116 1.00 0.00 O ATOM 476 OE2 GLU A 950 -4.533 19.128 9.269 1.00 0.00 O ATOM 0 H GLU A 950 -3.296 20.102 5.898 1.00 0.00 H new ATOM 0 HA GLU A 950 -3.184 17.559 7.295 1.00 0.00 H new ATOM 0 HB2 GLU A 950 -5.167 18.963 5.549 1.00 0.00 H new ATOM 0 HB3 GLU A 950 -5.211 17.211 5.591 1.00 0.00 H new ATOM 0 HG2 GLU A 950 -6.770 18.199 7.212 1.00 0.00 H new ATOM 0 HG3 GLU A 950 -5.551 17.218 8.002 1.00 0.00 H new ATOM 483 N TYR A 951 -1.856 17.905 4.477 1.00 0.00 N ATOM 484 CA TYR A 951 -1.114 17.185 3.451 1.00 0.00 C ATOM 485 C TYR A 951 -0.242 16.143 4.122 1.00 0.00 C ATOM 486 O TYR A 951 -0.002 15.060 3.584 1.00 0.00 O ATOM 487 CB TYR A 951 -0.253 18.122 2.596 1.00 0.00 C ATOM 488 CG TYR A 951 -1.039 19.017 1.667 1.00 0.00 C ATOM 489 CD1 TYR A 951 -2.420 18.915 1.563 1.00 0.00 C ATOM 490 CD2 TYR A 951 -0.392 19.967 0.891 1.00 0.00 C ATOM 491 CE1 TYR A 951 -3.132 19.736 0.711 1.00 0.00 C ATOM 492 CE2 TYR A 951 -1.094 20.789 0.036 1.00 0.00 C ATOM 493 CZ TYR A 951 -2.466 20.670 -0.051 1.00 0.00 C ATOM 494 OH TYR A 951 -3.170 21.484 -0.908 1.00 0.00 O ATOM 0 H TYR A 951 -1.613 18.891 4.571 1.00 0.00 H new ATOM 0 HA TYR A 951 -1.829 16.709 2.780 1.00 0.00 H new ATOM 0 HB2 TYR A 951 0.351 18.745 3.256 1.00 0.00 H new ATOM 0 HB3 TYR A 951 0.438 17.522 2.004 1.00 0.00 H new ATOM 0 HD1 TYR A 951 -2.945 18.182 2.158 1.00 0.00 H new ATOM 0 HD2 TYR A 951 0.682 20.064 0.958 1.00 0.00 H new ATOM 0 HE1 TYR A 951 -4.206 19.646 0.643 1.00 0.00 H new ATOM 0 HE2 TYR A 951 -0.573 21.522 -0.562 1.00 0.00 H new ATOM 0 HH TYR A 951 -2.704 22.341 -1.002 1.00 0.00 H new ATOM 504 N VAL A 952 0.228 16.460 5.312 1.00 0.00 N ATOM 505 CA VAL A 952 0.945 15.458 6.078 1.00 0.00 C ATOM 506 C VAL A 952 -0.014 14.415 6.716 1.00 0.00 C ATOM 507 O VAL A 952 0.189 13.220 6.516 1.00 0.00 O ATOM 508 CB VAL A 952 1.995 16.059 7.066 1.00 0.00 C ATOM 509 CG1 VAL A 952 1.552 17.397 7.635 1.00 0.00 C ATOM 510 CG2 VAL A 952 2.324 15.083 8.188 1.00 0.00 C ATOM 0 H VAL A 952 0.132 17.372 5.759 1.00 0.00 H new ATOM 0 HA VAL A 952 1.552 14.899 5.366 1.00 0.00 H new ATOM 0 HB VAL A 952 2.901 16.235 6.486 1.00 0.00 H new ATOM 0 HG11 VAL A 952 2.315 17.774 8.316 1.00 0.00 H new ATOM 0 HG12 VAL A 952 1.408 18.109 6.822 1.00 0.00 H new ATOM 0 HG13 VAL A 952 0.614 17.270 8.176 1.00 0.00 H new ATOM 0 HG21 VAL A 952 3.057 15.532 8.858 1.00 0.00 H new ATOM 0 HG22 VAL A 952 1.417 14.851 8.746 1.00 0.00 H new ATOM 0 HG23 VAL A 952 2.733 14.166 7.764 1.00 0.00 H new ATOM 520 N PRO A 953 -1.082 14.810 7.458 1.00 0.00 N ATOM 521 CA PRO A 953 -2.124 13.860 7.907 1.00 0.00 C ATOM 522 C PRO A 953 -2.749 13.010 6.790 1.00 0.00 C ATOM 523 O PRO A 953 -3.189 11.893 7.046 1.00 0.00 O ATOM 524 CB PRO A 953 -3.193 14.761 8.498 1.00 0.00 C ATOM 525 CG PRO A 953 -2.436 15.932 8.992 1.00 0.00 C ATOM 526 CD PRO A 953 -1.316 16.132 8.010 1.00 0.00 C ATOM 0 HA PRO A 953 -1.690 13.131 8.591 1.00 0.00 H new ATOM 0 HB2 PRO A 953 -3.931 15.049 7.750 1.00 0.00 H new ATOM 0 HB3 PRO A 953 -3.733 14.265 9.304 1.00 0.00 H new ATOM 0 HG2 PRO A 953 -3.072 16.815 9.047 1.00 0.00 H new ATOM 0 HG3 PRO A 953 -2.050 15.754 9.996 1.00 0.00 H new ATOM 0 HD2 PRO A 953 -1.591 16.845 7.232 1.00 0.00 H new ATOM 0 HD3 PRO A 953 -0.423 16.523 8.499 1.00 0.00 H new ATOM 534 N MET A 954 -2.826 13.529 5.567 1.00 0.00 N ATOM 535 CA MET A 954 -3.409 12.750 4.473 1.00 0.00 C ATOM 536 C MET A 954 -2.541 11.539 4.187 1.00 0.00 C ATOM 537 O MET A 954 -3.032 10.423 3.983 1.00 0.00 O ATOM 538 CB MET A 954 -3.586 13.580 3.193 1.00 0.00 C ATOM 539 CG MET A 954 -2.298 13.932 2.481 1.00 0.00 C ATOM 540 SD MET A 954 -2.558 14.794 0.926 1.00 0.00 S ATOM 541 CE MET A 954 -0.869 15.104 0.438 1.00 0.00 C ATOM 0 H MET A 954 -2.502 14.461 5.310 1.00 0.00 H new ATOM 0 HA MET A 954 -4.401 12.432 4.792 1.00 0.00 H new ATOM 0 HB2 MET A 954 -4.226 13.028 2.505 1.00 0.00 H new ATOM 0 HB3 MET A 954 -4.109 14.502 3.445 1.00 0.00 H new ATOM 0 HG2 MET A 954 -1.687 14.554 3.136 1.00 0.00 H new ATOM 0 HG3 MET A 954 -1.734 13.019 2.292 1.00 0.00 H new ATOM 0 HE1 MET A 954 -0.732 16.171 0.260 1.00 0.00 H new ATOM 0 HE2 MET A 954 -0.196 14.779 1.231 1.00 0.00 H new ATOM 0 HE3 MET A 954 -0.647 14.552 -0.475 1.00 0.00 H new ATOM 551 N VAL A 955 -1.242 11.759 4.190 1.00 0.00 N ATOM 552 CA VAL A 955 -0.314 10.667 4.019 1.00 0.00 C ATOM 553 C VAL A 955 -0.261 9.831 5.284 1.00 0.00 C ATOM 554 O VAL A 955 0.048 8.643 5.242 1.00 0.00 O ATOM 555 CB VAL A 955 1.097 11.143 3.623 1.00 0.00 C ATOM 556 CG1 VAL A 955 2.066 9.971 3.590 1.00 0.00 C ATOM 557 CG2 VAL A 955 1.054 11.842 2.273 1.00 0.00 C ATOM 0 H VAL A 955 -0.811 12.676 4.308 1.00 0.00 H new ATOM 0 HA VAL A 955 -0.679 10.056 3.194 1.00 0.00 H new ATOM 0 HB VAL A 955 1.449 11.854 4.371 1.00 0.00 H new ATOM 0 HG11 VAL A 955 3.057 10.326 3.308 1.00 0.00 H new ATOM 0 HG12 VAL A 955 2.113 9.510 4.576 1.00 0.00 H new ATOM 0 HG13 VAL A 955 1.724 9.236 2.861 1.00 0.00 H new ATOM 0 HG21 VAL A 955 2.056 12.174 2.003 1.00 0.00 H new ATOM 0 HG22 VAL A 955 0.685 11.150 1.516 1.00 0.00 H new ATOM 0 HG23 VAL A 955 0.389 12.704 2.331 1.00 0.00 H new ATOM 567 N LYS A 956 -0.566 10.456 6.412 1.00 0.00 N ATOM 568 CA LYS A 956 -0.655 9.727 7.665 1.00 0.00 C ATOM 569 C LYS A 956 -1.612 8.556 7.468 1.00 0.00 C ATOM 570 O LYS A 956 -1.315 7.423 7.853 1.00 0.00 O ATOM 571 CB LYS A 956 -1.134 10.672 8.781 1.00 0.00 C ATOM 572 CG LYS A 956 -1.201 10.072 10.179 1.00 0.00 C ATOM 573 CD LYS A 956 -2.408 9.161 10.354 1.00 0.00 C ATOM 574 CE LYS A 956 -2.696 8.893 11.816 1.00 0.00 C ATOM 575 NZ LYS A 956 -3.266 10.085 12.494 1.00 0.00 N ATOM 0 H LYS A 956 -0.754 11.456 6.484 1.00 0.00 H new ATOM 0 HA LYS A 956 0.320 9.340 7.961 1.00 0.00 H new ATOM 0 HB2 LYS A 956 -0.470 11.536 8.809 1.00 0.00 H new ATOM 0 HB3 LYS A 956 -2.125 11.041 8.517 1.00 0.00 H new ATOM 0 HG2 LYS A 956 -0.290 9.507 10.375 1.00 0.00 H new ATOM 0 HG3 LYS A 956 -1.243 10.874 10.916 1.00 0.00 H new ATOM 0 HD2 LYS A 956 -3.281 9.619 9.889 1.00 0.00 H new ATOM 0 HD3 LYS A 956 -2.230 8.217 9.839 1.00 0.00 H new ATOM 0 HE2 LYS A 956 -3.392 8.059 11.902 1.00 0.00 H new ATOM 0 HE3 LYS A 956 -1.776 8.594 12.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 956 -3.697 9.798 13.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 956 -2.510 10.776 12.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 956 -3.991 10.517 11.886 1.00 0.00 H new ATOM 589 N GLU A 957 -2.751 8.844 6.839 1.00 0.00 N ATOM 590 CA GLU A 957 -3.742 7.829 6.516 1.00 0.00 C ATOM 591 C GLU A 957 -3.138 6.674 5.698 1.00 0.00 C ATOM 592 O GLU A 957 -3.317 5.506 6.053 1.00 0.00 O ATOM 593 CB GLU A 957 -4.900 8.478 5.737 1.00 0.00 C ATOM 594 CG GLU A 957 -5.402 9.782 6.348 1.00 0.00 C ATOM 595 CD GLU A 957 -6.133 9.601 7.667 1.00 0.00 C ATOM 596 OE1 GLU A 957 -5.584 8.951 8.584 1.00 0.00 O ATOM 597 OE2 GLU A 957 -7.257 10.129 7.800 1.00 0.00 O ATOM 0 H GLU A 957 -3.008 9.785 6.542 1.00 0.00 H new ATOM 0 HA GLU A 957 -4.110 7.406 7.451 1.00 0.00 H new ATOM 0 HB2 GLU A 957 -4.575 8.669 4.714 1.00 0.00 H new ATOM 0 HB3 GLU A 957 -5.728 7.772 5.681 1.00 0.00 H new ATOM 0 HG2 GLU A 957 -4.554 10.450 6.502 1.00 0.00 H new ATOM 0 HG3 GLU A 957 -6.069 10.272 5.638 1.00 0.00 H new ATOM 604 N VAL A 958 -2.388 6.987 4.632 1.00 0.00 N ATOM 605 CA VAL A 958 -1.790 5.934 3.797 1.00 0.00 C ATOM 606 C VAL A 958 -0.599 5.256 4.487 1.00 0.00 C ATOM 607 O VAL A 958 -0.305 4.089 4.224 1.00 0.00 O ATOM 608 CB VAL A 958 -1.343 6.461 2.412 1.00 0.00 C ATOM 609 CG1 VAL A 958 -2.442 7.291 1.785 1.00 0.00 C ATOM 610 CG2 VAL A 958 -0.053 7.263 2.498 1.00 0.00 C ATOM 0 H VAL A 958 -2.183 7.940 4.331 1.00 0.00 H new ATOM 0 HA VAL A 958 -2.580 5.197 3.650 1.00 0.00 H new ATOM 0 HB VAL A 958 -1.146 5.595 1.780 1.00 0.00 H new ATOM 0 HG11 VAL A 958 -2.113 7.655 0.812 1.00 0.00 H new ATOM 0 HG12 VAL A 958 -3.335 6.678 1.661 1.00 0.00 H new ATOM 0 HG13 VAL A 958 -2.671 8.139 2.431 1.00 0.00 H new ATOM 0 HG21 VAL A 958 0.224 7.614 1.504 1.00 0.00 H new ATOM 0 HG22 VAL A 958 -0.200 8.119 3.157 1.00 0.00 H new ATOM 0 HG23 VAL A 958 0.742 6.632 2.895 1.00 0.00 H new ATOM 620 N GLY A 959 0.093 5.981 5.361 1.00 0.00 N ATOM 621 CA GLY A 959 1.239 5.410 6.043 1.00 0.00 C ATOM 622 C GLY A 959 0.821 4.401 7.085 1.00 0.00 C ATOM 623 O GLY A 959 1.412 3.323 7.196 1.00 0.00 O ATOM 0 H GLY A 959 -0.118 6.948 5.608 1.00 0.00 H new ATOM 0 HA2 GLY A 959 1.895 4.932 5.315 1.00 0.00 H new ATOM 0 HA3 GLY A 959 1.815 6.205 6.516 1.00 0.00 H new ATOM 627 N LEU A 960 -0.205 4.761 7.837 1.00 0.00 N ATOM 628 CA LEU A 960 -0.822 3.837 8.777 1.00 0.00 C ATOM 629 C LEU A 960 -1.404 2.657 8.025 1.00 0.00 C ATOM 630 O LEU A 960 -1.338 1.527 8.498 1.00 0.00 O ATOM 631 CB LEU A 960 -1.888 4.532 9.633 1.00 0.00 C ATOM 632 CG LEU A 960 -1.369 5.153 10.937 1.00 0.00 C ATOM 633 CD1 LEU A 960 -0.767 4.078 11.829 1.00 0.00 C ATOM 634 CD2 LEU A 960 -0.344 6.241 10.655 1.00 0.00 C ATOM 0 H LEU A 960 -0.630 5.688 7.816 1.00 0.00 H new ATOM 0 HA LEU A 960 -0.055 3.475 9.461 1.00 0.00 H new ATOM 0 HB2 LEU A 960 -2.357 5.315 9.037 1.00 0.00 H new ATOM 0 HB3 LEU A 960 -2.665 3.808 9.877 1.00 0.00 H new ATOM 0 HG LEU A 960 -2.213 5.610 11.454 1.00 0.00 H new ATOM 0 HD11 LEU A 960 -0.403 4.532 12.751 1.00 0.00 H new ATOM 0 HD12 LEU A 960 -1.528 3.334 12.067 1.00 0.00 H new ATOM 0 HD13 LEU A 960 0.061 3.596 11.310 1.00 0.00 H new ATOM 0 HD21 LEU A 960 0.007 6.663 11.597 1.00 0.00 H new ATOM 0 HD22 LEU A 960 0.500 5.814 10.112 1.00 0.00 H new ATOM 0 HD23 LEU A 960 -0.803 7.026 10.054 1.00 0.00 H new ATOM 646 N ALA A 961 -1.986 2.929 6.864 1.00 0.00 N ATOM 647 CA ALA A 961 -2.415 1.872 5.954 1.00 0.00 C ATOM 648 C ALA A 961 -1.314 0.848 5.690 1.00 0.00 C ATOM 649 O ALA A 961 -1.529 -0.337 5.910 1.00 0.00 O ATOM 650 CB ALA A 961 -2.892 2.463 4.647 1.00 0.00 C ATOM 0 H ALA A 961 -2.173 3.874 6.529 1.00 0.00 H new ATOM 0 HA ALA A 961 -3.238 1.349 6.441 1.00 0.00 H new ATOM 0 HB1 ALA A 961 -3.208 1.662 3.979 1.00 0.00 H new ATOM 0 HB2 ALA A 961 -3.732 3.132 4.835 1.00 0.00 H new ATOM 0 HB3 ALA A 961 -2.080 3.023 4.183 1.00 0.00 H new ATOM 656 N LEU A 962 -0.141 1.290 5.220 1.00 0.00 N ATOM 657 CA LEU A 962 0.954 0.366 4.952 1.00 0.00 C ATOM 658 C LEU A 962 1.467 -0.259 6.259 1.00 0.00 C ATOM 659 O LEU A 962 1.861 -1.421 6.276 1.00 0.00 O ATOM 660 CB LEU A 962 2.057 1.085 4.139 1.00 0.00 C ATOM 661 CG LEU A 962 3.353 0.305 3.836 1.00 0.00 C ATOM 662 CD1 LEU A 962 4.295 0.290 5.034 1.00 0.00 C ATOM 663 CD2 LEU A 962 3.038 -1.114 3.384 1.00 0.00 C ATOM 0 H LEU A 962 0.067 2.269 5.022 1.00 0.00 H new ATOM 0 HA LEU A 962 0.600 -0.464 4.341 1.00 0.00 H new ATOM 0 HB2 LEU A 962 1.623 1.396 3.188 1.00 0.00 H new ATOM 0 HB3 LEU A 962 2.331 1.993 4.676 1.00 0.00 H new ATOM 0 HG LEU A 962 3.862 0.823 3.023 1.00 0.00 H new ATOM 0 HD11 LEU A 962 5.196 -0.269 4.781 1.00 0.00 H new ATOM 0 HD12 LEU A 962 4.564 1.313 5.298 1.00 0.00 H new ATOM 0 HD13 LEU A 962 3.799 -0.185 5.881 1.00 0.00 H new ATOM 0 HD21 LEU A 962 3.967 -1.644 3.176 1.00 0.00 H new ATOM 0 HD22 LEU A 962 2.492 -1.634 4.171 1.00 0.00 H new ATOM 0 HD23 LEU A 962 2.429 -1.081 2.481 1.00 0.00 H new ATOM 675 N ARG A 963 1.460 0.503 7.353 1.00 0.00 N ATOM 676 CA ARG A 963 1.774 -0.061 8.673 1.00 0.00 C ATOM 677 C ARG A 963 0.843 -1.226 9.014 1.00 0.00 C ATOM 678 O ARG A 963 1.300 -2.324 9.345 1.00 0.00 O ATOM 679 CB ARG A 963 1.691 1.001 9.772 1.00 0.00 C ATOM 680 CG ARG A 963 2.956 1.831 9.922 1.00 0.00 C ATOM 681 CD ARG A 963 4.176 0.956 10.188 1.00 0.00 C ATOM 682 NE ARG A 963 3.975 0.054 11.324 1.00 0.00 N ATOM 683 CZ ARG A 963 4.763 -0.982 11.607 1.00 0.00 C ATOM 684 NH1 ARG A 963 5.856 -1.209 10.892 1.00 0.00 N ATOM 685 NH2 ARG A 963 4.465 -1.779 12.627 1.00 0.00 N ATOM 0 H ARG A 963 1.244 1.500 7.356 1.00 0.00 H new ATOM 0 HA ARG A 963 2.798 -0.430 8.623 1.00 0.00 H new ATOM 0 HB2 ARG A 963 0.855 1.666 9.558 1.00 0.00 H new ATOM 0 HB3 ARG A 963 1.474 0.511 10.721 1.00 0.00 H new ATOM 0 HG2 ARG A 963 3.118 2.415 9.016 1.00 0.00 H new ATOM 0 HG3 ARG A 963 2.831 2.540 10.740 1.00 0.00 H new ATOM 0 HD2 ARG A 963 4.402 0.370 9.297 1.00 0.00 H new ATOM 0 HD3 ARG A 963 5.041 1.591 10.379 1.00 0.00 H new ATOM 0 HE ARG A 963 3.180 0.230 11.938 1.00 0.00 H new ATOM 0 HH11 ARG A 963 6.098 -0.588 10.120 1.00 0.00 H new ATOM 0 HH12 ARG A 963 6.455 -2.004 11.114 1.00 0.00 H new ATOM 0 HH21 ARG A 963 3.635 -1.597 13.191 1.00 0.00 H new ATOM 0 HH22 ARG A 963 5.066 -2.573 12.846 1.00 0.00 H new ATOM 699 N THR A 964 -0.459 -0.993 8.931 1.00 0.00 N ATOM 700 CA THR A 964 -1.428 -2.052 9.175 1.00 0.00 C ATOM 701 C THR A 964 -1.290 -3.147 8.114 1.00 0.00 C ATOM 702 O THR A 964 -1.411 -4.334 8.403 1.00 0.00 O ATOM 703 CB THR A 964 -2.869 -1.504 9.184 1.00 0.00 C ATOM 704 OG1 THR A 964 -2.962 -0.385 10.080 1.00 0.00 O ATOM 705 CG2 THR A 964 -3.859 -2.576 9.613 1.00 0.00 C ATOM 0 H THR A 964 -0.867 -0.087 8.698 1.00 0.00 H new ATOM 0 HA THR A 964 -1.222 -2.475 10.158 1.00 0.00 H new ATOM 0 HB THR A 964 -3.116 -1.187 8.171 1.00 0.00 H new ATOM 0 HG1 THR A 964 -2.490 0.383 9.695 1.00 0.00 H new ATOM 0 HG21 THR A 964 -4.867 -2.162 9.610 1.00 0.00 H new ATOM 0 HG22 THR A 964 -3.810 -3.415 8.919 1.00 0.00 H new ATOM 0 HG23 THR A 964 -3.611 -2.920 10.617 1.00 0.00 H new ATOM 713 N LEU A 965 -1.073 -2.727 6.878 1.00 0.00 N ATOM 714 CA LEU A 965 -0.753 -3.650 5.792 1.00 0.00 C ATOM 715 C LEU A 965 0.433 -4.553 6.151 1.00 0.00 C ATOM 716 O LEU A 965 0.434 -5.736 5.819 1.00 0.00 O ATOM 717 CB LEU A 965 -0.468 -2.878 4.505 1.00 0.00 C ATOM 718 CG LEU A 965 -0.180 -3.740 3.278 1.00 0.00 C ATOM 719 CD1 LEU A 965 -1.256 -4.803 3.107 1.00 0.00 C ATOM 720 CD2 LEU A 965 -0.105 -2.868 2.039 1.00 0.00 C ATOM 0 H LEU A 965 -1.112 -1.747 6.597 1.00 0.00 H new ATOM 0 HA LEU A 965 -1.620 -4.291 5.634 1.00 0.00 H new ATOM 0 HB2 LEU A 965 -1.324 -2.239 4.287 1.00 0.00 H new ATOM 0 HB3 LEU A 965 0.385 -2.221 4.676 1.00 0.00 H new ATOM 0 HG LEU A 965 0.778 -4.240 3.420 1.00 0.00 H new ATOM 0 HD11 LEU A 965 -1.034 -5.407 2.228 1.00 0.00 H new ATOM 0 HD12 LEU A 965 -1.280 -5.442 3.990 1.00 0.00 H new ATOM 0 HD13 LEU A 965 -2.226 -4.322 2.981 1.00 0.00 H new ATOM 0 HD21 LEU A 965 0.101 -3.490 1.168 1.00 0.00 H new ATOM 0 HD22 LEU A 965 -1.055 -2.351 1.900 1.00 0.00 H new ATOM 0 HD23 LEU A 965 0.693 -2.135 2.158 1.00 0.00 H new ATOM 732 N LEU A 966 1.441 -3.996 6.812 1.00 0.00 N ATOM 733 CA LEU A 966 2.563 -4.787 7.325 1.00 0.00 C ATOM 734 C LEU A 966 2.102 -5.889 8.282 1.00 0.00 C ATOM 735 O LEU A 966 2.767 -6.916 8.411 1.00 0.00 O ATOM 736 CB LEU A 966 3.593 -3.881 8.006 1.00 0.00 C ATOM 737 CG LEU A 966 4.931 -3.758 7.271 1.00 0.00 C ATOM 738 CD1 LEU A 966 5.790 -2.673 7.900 1.00 0.00 C ATOM 739 CD2 LEU A 966 5.666 -5.089 7.283 1.00 0.00 C ATOM 0 H LEU A 966 1.508 -2.997 7.008 1.00 0.00 H new ATOM 0 HA LEU A 966 3.031 -5.275 6.470 1.00 0.00 H new ATOM 0 HB2 LEU A 966 3.163 -2.886 8.116 1.00 0.00 H new ATOM 0 HB3 LEU A 966 3.781 -4.260 9.011 1.00 0.00 H new ATOM 0 HG LEU A 966 4.730 -3.480 6.236 1.00 0.00 H new ATOM 0 HD11 LEU A 966 6.736 -2.601 7.364 1.00 0.00 H new ATOM 0 HD12 LEU A 966 5.268 -1.718 7.844 1.00 0.00 H new ATOM 0 HD13 LEU A 966 5.983 -2.921 8.944 1.00 0.00 H new ATOM 0 HD21 LEU A 966 6.615 -4.985 6.757 1.00 0.00 H new ATOM 0 HD22 LEU A 966 5.853 -5.392 8.313 1.00 0.00 H new ATOM 0 HD23 LEU A 966 5.057 -5.845 6.788 1.00 0.00 H new ATOM 751 N ALA A 967 0.978 -5.682 8.958 1.00 0.00 N ATOM 752 CA ALA A 967 0.375 -6.749 9.752 1.00 0.00 C ATOM 753 C ALA A 967 -0.087 -7.884 8.838 1.00 0.00 C ATOM 754 O ALA A 967 0.116 -9.059 9.141 1.00 0.00 O ATOM 755 CB ALA A 967 -0.778 -6.221 10.591 1.00 0.00 C ATOM 0 H ALA A 967 0.470 -4.798 8.974 1.00 0.00 H new ATOM 0 HA ALA A 967 1.128 -7.139 10.437 1.00 0.00 H new ATOM 0 HB1 ALA A 967 -1.208 -7.037 11.172 1.00 0.00 H new ATOM 0 HB2 ALA A 967 -0.412 -5.448 11.267 1.00 0.00 H new ATOM 0 HB3 ALA A 967 -1.541 -5.800 9.937 1.00 0.00 H new ATOM 761 N THR A 968 -0.697 -7.523 7.710 1.00 0.00 N ATOM 762 CA THR A 968 -1.016 -8.490 6.663 1.00 0.00 C ATOM 763 C THR A 968 0.252 -9.140 6.125 1.00 0.00 C ATOM 764 O THR A 968 0.281 -10.344 5.860 1.00 0.00 O ATOM 765 CB THR A 968 -1.787 -7.831 5.502 1.00 0.00 C ATOM 766 OG1 THR A 968 -3.157 -7.685 5.863 1.00 0.00 O ATOM 767 CG2 THR A 968 -1.682 -8.639 4.217 1.00 0.00 C ATOM 0 H THR A 968 -0.980 -6.566 7.498 1.00 0.00 H new ATOM 0 HA THR A 968 -1.651 -9.254 7.112 1.00 0.00 H new ATOM 0 HB THR A 968 -1.339 -6.855 5.317 1.00 0.00 H new ATOM 0 HG1 THR A 968 -3.717 -8.182 5.230 1.00 0.00 H new ATOM 0 HG21 THR A 968 -2.240 -8.138 3.426 1.00 0.00 H new ATOM 0 HG22 THR A 968 -0.635 -8.724 3.925 1.00 0.00 H new ATOM 0 HG23 THR A 968 -2.096 -9.634 4.378 1.00 0.00 H new ATOM 775 N VAL A 969 1.296 -8.341 5.947 1.00 0.00 N ATOM 776 CA VAL A 969 2.595 -8.856 5.548 1.00 0.00 C ATOM 777 C VAL A 969 3.077 -9.951 6.497 1.00 0.00 C ATOM 778 O VAL A 969 3.779 -10.857 6.082 1.00 0.00 O ATOM 779 CB VAL A 969 3.643 -7.721 5.472 1.00 0.00 C ATOM 780 CG1 VAL A 969 5.035 -8.260 5.166 1.00 0.00 C ATOM 781 CG2 VAL A 969 3.233 -6.695 4.427 1.00 0.00 C ATOM 0 H VAL A 969 1.266 -7.329 6.074 1.00 0.00 H new ATOM 0 HA VAL A 969 2.479 -9.291 4.555 1.00 0.00 H new ATOM 0 HB VAL A 969 3.682 -7.240 6.449 1.00 0.00 H new ATOM 0 HG11 VAL A 969 5.744 -7.433 5.121 1.00 0.00 H new ATOM 0 HG12 VAL A 969 5.337 -8.954 5.950 1.00 0.00 H new ATOM 0 HG13 VAL A 969 5.022 -8.779 4.208 1.00 0.00 H new ATOM 0 HG21 VAL A 969 3.979 -5.902 4.384 1.00 0.00 H new ATOM 0 HG22 VAL A 969 3.160 -7.178 3.452 1.00 0.00 H new ATOM 0 HG23 VAL A 969 2.266 -6.269 4.695 1.00 0.00 H new ATOM 791 N ASP A 970 2.689 -9.872 7.764 1.00 0.00 N ATOM 792 CA ASP A 970 3.056 -10.900 8.740 1.00 0.00 C ATOM 793 C ASP A 970 2.220 -12.159 8.553 1.00 0.00 C ATOM 794 O ASP A 970 2.672 -13.255 8.854 1.00 0.00 O ATOM 795 CB ASP A 970 2.912 -10.356 10.164 1.00 0.00 C ATOM 796 CG ASP A 970 3.246 -11.384 11.229 1.00 0.00 C ATOM 797 OD1 ASP A 970 4.446 -11.647 11.454 1.00 0.00 O ATOM 798 OD2 ASP A 970 2.309 -11.907 11.872 1.00 0.00 O ATOM 0 H ASP A 970 2.123 -9.112 8.142 1.00 0.00 H new ATOM 0 HA ASP A 970 4.099 -11.169 8.576 1.00 0.00 H new ATOM 0 HB2 ASP A 970 3.565 -9.491 10.284 1.00 0.00 H new ATOM 0 HB3 ASP A 970 1.890 -10.007 10.312 1.00 0.00 H new ATOM 803 N GLU A 971 1.021 -12.005 8.016 1.00 0.00 N ATOM 804 CA GLU A 971 0.198 -13.158 7.664 1.00 0.00 C ATOM 805 C GLU A 971 0.834 -13.838 6.458 1.00 0.00 C ATOM 806 O GLU A 971 1.093 -15.057 6.431 1.00 0.00 O ATOM 807 CB GLU A 971 -1.223 -12.713 7.311 1.00 0.00 C ATOM 808 CG GLU A 971 -1.853 -11.789 8.337 1.00 0.00 C ATOM 809 CD GLU A 971 -2.195 -12.494 9.631 1.00 0.00 C ATOM 810 OE1 GLU A 971 -3.125 -13.324 9.630 1.00 0.00 O ATOM 811 OE2 GLU A 971 -1.548 -12.213 10.661 1.00 0.00 O ATOM 0 H GLU A 971 0.595 -11.101 7.814 1.00 0.00 H new ATOM 0 HA GLU A 971 0.141 -13.844 8.509 1.00 0.00 H new ATOM 0 HB2 GLU A 971 -1.205 -12.208 6.345 1.00 0.00 H new ATOM 0 HB3 GLU A 971 -1.852 -13.596 7.198 1.00 0.00 H new ATOM 0 HG2 GLU A 971 -1.169 -10.967 8.547 1.00 0.00 H new ATOM 0 HG3 GLU A 971 -2.759 -11.351 7.917 1.00 0.00 H new ATOM 818 N SER A 972 1.148 -13.018 5.474 1.00 0.00 N ATOM 819 CA SER A 972 1.781 -13.487 4.279 1.00 0.00 C ATOM 820 C SER A 972 3.217 -13.920 4.574 1.00 0.00 C ATOM 821 O SER A 972 3.783 -14.663 3.805 1.00 0.00 O ATOM 822 CB SER A 972 1.721 -12.420 3.180 1.00 0.00 C ATOM 823 OG SER A 972 2.428 -12.833 2.029 1.00 0.00 O ATOM 0 H SER A 972 0.968 -12.014 5.490 1.00 0.00 H new ATOM 0 HA SER A 972 1.241 -14.360 3.912 1.00 0.00 H new ATOM 0 HB2 SER A 972 0.682 -12.220 2.920 1.00 0.00 H new ATOM 0 HB3 SER A 972 2.141 -11.486 3.553 1.00 0.00 H new ATOM 0 HG SER A 972 2.304 -13.796 1.897 1.00 0.00 H new ATOM 829 N LEU A 973 3.814 -13.402 5.651 1.00 0.00 N ATOM 830 CA LEU A 973 5.211 -13.710 6.009 1.00 0.00 C ATOM 831 C LEU A 973 5.446 -15.220 6.115 1.00 0.00 C ATOM 832 O LEU A 973 6.329 -15.730 5.430 1.00 0.00 O ATOM 833 CB LEU A 973 5.603 -12.984 7.315 1.00 0.00 C ATOM 834 CG LEU A 973 7.108 -12.811 7.600 1.00 0.00 C ATOM 835 CD1 LEU A 973 7.787 -14.141 7.892 1.00 0.00 C ATOM 836 CD2 LEU A 973 7.793 -12.105 6.440 1.00 0.00 C ATOM 0 H LEU A 973 3.352 -12.762 6.297 1.00 0.00 H new ATOM 0 HA LEU A 973 5.854 -13.344 5.209 1.00 0.00 H new ATOM 0 HB2 LEU A 973 5.146 -11.995 7.302 1.00 0.00 H new ATOM 0 HB3 LEU A 973 5.161 -13.528 8.150 1.00 0.00 H new ATOM 0 HG LEU A 973 7.202 -12.194 8.493 1.00 0.00 H new ATOM 0 HD11 LEU A 973 8.846 -13.974 8.087 1.00 0.00 H new ATOM 0 HD12 LEU A 973 7.325 -14.601 8.766 1.00 0.00 H new ATOM 0 HD13 LEU A 973 7.677 -14.802 7.033 1.00 0.00 H new ATOM 0 HD21 LEU A 973 8.855 -11.992 6.659 1.00 0.00 H new ATOM 0 HD22 LEU A 973 7.671 -12.695 5.532 1.00 0.00 H new ATOM 0 HD23 LEU A 973 7.345 -11.122 6.297 1.00 0.00 H new ATOM 848 N PRO A 974 4.684 -15.985 6.938 1.00 0.00 N ATOM 849 CA PRO A 974 4.767 -17.445 6.884 1.00 0.00 C ATOM 850 C PRO A 974 4.436 -17.951 5.487 1.00 0.00 C ATOM 851 O PRO A 974 4.912 -19.007 5.060 1.00 0.00 O ATOM 852 CB PRO A 974 3.726 -17.933 7.899 1.00 0.00 C ATOM 853 CG PRO A 974 2.905 -16.738 8.235 1.00 0.00 C ATOM 854 CD PRO A 974 3.778 -15.541 7.991 1.00 0.00 C ATOM 0 HA PRO A 974 5.768 -17.810 7.114 1.00 0.00 H new ATOM 0 HB2 PRO A 974 3.109 -18.727 7.477 1.00 0.00 H new ATOM 0 HB3 PRO A 974 4.207 -18.341 8.788 1.00 0.00 H new ATOM 0 HG2 PRO A 974 2.008 -16.697 7.617 1.00 0.00 H new ATOM 0 HG3 PRO A 974 2.575 -16.773 9.273 1.00 0.00 H new ATOM 0 HD2 PRO A 974 3.193 -14.676 7.678 1.00 0.00 H new ATOM 0 HD3 PRO A 974 4.321 -15.251 8.891 1.00 0.00 H new ATOM 862 N VAL A 975 3.637 -17.177 4.759 1.00 0.00 N ATOM 863 CA VAL A 975 3.343 -17.529 3.369 1.00 0.00 C ATOM 864 C VAL A 975 4.536 -17.205 2.433 1.00 0.00 C ATOM 865 O VAL A 975 4.593 -17.709 1.311 1.00 0.00 O ATOM 866 CB VAL A 975 2.047 -16.857 2.863 1.00 0.00 C ATOM 867 CG1 VAL A 975 1.556 -17.536 1.599 1.00 0.00 C ATOM 868 CG2 VAL A 975 0.964 -16.901 3.931 1.00 0.00 C ATOM 0 H VAL A 975 3.190 -16.323 5.094 1.00 0.00 H new ATOM 0 HA VAL A 975 3.183 -18.607 3.346 1.00 0.00 H new ATOM 0 HB VAL A 975 2.272 -15.814 2.639 1.00 0.00 H new ATOM 0 HG11 VAL A 975 0.642 -17.050 1.256 1.00 0.00 H new ATOM 0 HG12 VAL A 975 2.320 -17.460 0.825 1.00 0.00 H new ATOM 0 HG13 VAL A 975 1.352 -18.587 1.806 1.00 0.00 H new ATOM 0 HG21 VAL A 975 0.061 -16.422 3.553 1.00 0.00 H new ATOM 0 HG22 VAL A 975 0.746 -17.938 4.185 1.00 0.00 H new ATOM 0 HG23 VAL A 975 1.309 -16.374 4.821 1.00 0.00 H new ATOM 878 N LEU A 976 5.494 -16.379 2.890 1.00 0.00 N ATOM 879 CA LEU A 976 6.729 -16.138 2.129 1.00 0.00 C ATOM 880 C LEU A 976 7.479 -17.448 1.895 1.00 0.00 C ATOM 881 O LEU A 976 7.662 -17.832 0.741 1.00 0.00 O ATOM 882 CB LEU A 976 7.681 -15.118 2.792 1.00 0.00 C ATOM 883 CG LEU A 976 7.439 -13.646 2.491 1.00 0.00 C ATOM 884 CD1 LEU A 976 6.132 -13.166 3.066 1.00 0.00 C ATOM 885 CD2 LEU A 976 8.594 -12.810 3.022 1.00 0.00 C ATOM 0 H LEU A 976 5.437 -15.873 3.774 1.00 0.00 H new ATOM 0 HA LEU A 976 6.409 -15.706 1.181 1.00 0.00 H new ATOM 0 HB2 LEU A 976 7.626 -15.256 3.872 1.00 0.00 H new ATOM 0 HB3 LEU A 976 8.700 -15.362 2.491 1.00 0.00 H new ATOM 0 HG LEU A 976 7.380 -13.530 1.409 1.00 0.00 H new ATOM 0 HD11 LEU A 976 5.996 -12.111 2.830 1.00 0.00 H new ATOM 0 HD12 LEU A 976 5.312 -13.742 2.637 1.00 0.00 H new ATOM 0 HD13 LEU A 976 6.140 -13.297 4.148 1.00 0.00 H new ATOM 0 HD21 LEU A 976 8.413 -11.758 2.802 1.00 0.00 H new ATOM 0 HD22 LEU A 976 8.676 -12.947 4.100 1.00 0.00 H new ATOM 0 HD23 LEU A 976 9.521 -13.126 2.544 1.00 0.00 H new ATOM 897 N PRO A 977 7.924 -18.165 2.964 1.00 0.00 N ATOM 898 CA PRO A 977 8.613 -19.453 2.797 1.00 0.00 C ATOM 899 C PRO A 977 7.760 -20.446 2.026 1.00 0.00 C ATOM 900 O PRO A 977 8.278 -21.302 1.304 1.00 0.00 O ATOM 901 CB PRO A 977 8.840 -19.945 4.229 1.00 0.00 C ATOM 902 CG PRO A 977 8.806 -18.714 5.057 1.00 0.00 C ATOM 903 CD PRO A 977 7.821 -17.803 4.388 1.00 0.00 C ATOM 0 HA PRO A 977 9.538 -19.349 2.229 1.00 0.00 H new ATOM 0 HB2 PRO A 977 8.066 -20.649 4.534 1.00 0.00 H new ATOM 0 HB3 PRO A 977 9.796 -20.461 4.324 1.00 0.00 H new ATOM 0 HG2 PRO A 977 8.501 -18.938 6.079 1.00 0.00 H new ATOM 0 HG3 PRO A 977 9.792 -18.252 5.113 1.00 0.00 H new ATOM 0 HD2 PRO A 977 6.811 -17.956 4.768 1.00 0.00 H new ATOM 0 HD3 PRO A 977 8.068 -16.754 4.554 1.00 0.00 H new ATOM 911 N ALA A 978 6.448 -20.323 2.189 1.00 0.00 N ATOM 912 CA ALA A 978 5.515 -21.124 1.422 1.00 0.00 C ATOM 913 C ALA A 978 5.668 -20.851 -0.072 1.00 0.00 C ATOM 914 O ALA A 978 5.903 -21.772 -0.851 1.00 0.00 O ATOM 915 CB ALA A 978 4.085 -20.859 1.871 1.00 0.00 C ATOM 0 H ALA A 978 6.011 -19.676 2.846 1.00 0.00 H new ATOM 0 HA ALA A 978 5.742 -22.175 1.601 1.00 0.00 H new ATOM 0 HB1 ALA A 978 3.400 -21.470 1.283 1.00 0.00 H new ATOM 0 HB2 ALA A 978 3.982 -21.112 2.926 1.00 0.00 H new ATOM 0 HB3 ALA A 978 3.847 -19.805 1.726 1.00 0.00 H new ATOM 921 N SER A 979 5.566 -19.579 -0.466 1.00 0.00 N ATOM 922 CA SER A 979 5.614 -19.210 -1.882 1.00 0.00 C ATOM 923 C SER A 979 5.698 -17.683 -2.102 1.00 0.00 C ATOM 924 O SER A 979 6.411 -17.218 -2.996 1.00 0.00 O ATOM 925 CB SER A 979 4.380 -19.783 -2.597 1.00 0.00 C ATOM 926 OG SER A 979 4.581 -21.128 -2.998 1.00 0.00 O ATOM 0 H SER A 979 5.450 -18.792 0.172 1.00 0.00 H new ATOM 0 HA SER A 979 6.526 -19.634 -2.302 1.00 0.00 H new ATOM 0 HB2 SER A 979 3.517 -19.727 -1.934 1.00 0.00 H new ATOM 0 HB3 SER A 979 4.151 -19.174 -3.471 1.00 0.00 H new ATOM 0 HG SER A 979 5.157 -21.581 -2.347 1.00 0.00 H new ATOM 932 N THR A 980 4.993 -16.915 -1.275 1.00 0.00 N ATOM 933 CA THR A 980 4.804 -15.469 -1.491 1.00 0.00 C ATOM 934 C THR A 980 6.094 -14.647 -1.545 1.00 0.00 C ATOM 935 O THR A 980 6.094 -13.554 -2.112 1.00 0.00 O ATOM 936 CB THR A 980 3.921 -14.872 -0.392 1.00 0.00 C ATOM 937 OG1 THR A 980 2.732 -15.645 -0.275 1.00 0.00 O ATOM 938 CG2 THR A 980 3.568 -13.425 -0.706 1.00 0.00 C ATOM 0 H THR A 980 4.534 -17.269 -0.436 1.00 0.00 H new ATOM 0 HA THR A 980 4.337 -15.405 -2.474 1.00 0.00 H new ATOM 0 HB THR A 980 4.470 -14.892 0.550 1.00 0.00 H new ATOM 0 HG1 THR A 980 2.265 -15.403 0.552 1.00 0.00 H new ATOM 0 HG21 THR A 980 2.940 -13.023 0.089 1.00 0.00 H new ATOM 0 HG22 THR A 980 4.482 -12.835 -0.780 1.00 0.00 H new ATOM 0 HG23 THR A 980 3.029 -13.379 -1.652 1.00 0.00 H new ATOM 946 N HIS A 981 7.182 -15.153 -0.973 1.00 0.00 N ATOM 947 CA HIS A 981 8.412 -14.361 -0.853 1.00 0.00 C ATOM 948 C HIS A 981 8.878 -13.762 -2.182 1.00 0.00 C ATOM 949 O HIS A 981 9.633 -12.800 -2.182 1.00 0.00 O ATOM 950 CB HIS A 981 9.559 -15.155 -0.196 1.00 0.00 C ATOM 951 CG HIS A 981 9.891 -16.483 -0.820 1.00 0.00 C ATOM 952 ND1 HIS A 981 9.672 -16.979 -2.062 1.00 0.00 N flip ATOM 953 CD2 HIS A 981 10.531 -17.482 -0.124 1.00 0.00 C flip ATOM 954 CE1 HIS A 981 10.178 -18.253 -2.088 1.00 0.00 C flip ATOM 955 NE2 HIS A 981 10.691 -18.531 -0.906 1.00 0.00 N flip ATOM 0 H HIS A 981 7.243 -16.096 -0.588 1.00 0.00 H new ATOM 0 HA HIS A 981 8.149 -13.531 -0.197 1.00 0.00 H new ATOM 0 HB2 HIS A 981 10.456 -14.536 -0.210 1.00 0.00 H new ATOM 0 HB3 HIS A 981 9.304 -15.322 0.850 1.00 0.00 H new ATOM 0 HD2 HIS A 981 10.853 -17.417 0.905 1.00 0.00 H new ATOM 0 HE1 HIS A 981 10.159 -18.919 -2.938 1.00 0.00 H new ATOM 0 HE2 HIS A 981 11.137 -19.410 -0.641 1.00 0.00 H new ATOM 964 N ARG A 982 8.439 -14.307 -3.309 1.00 0.00 N ATOM 965 CA ARG A 982 8.821 -13.729 -4.587 1.00 0.00 C ATOM 966 C ARG A 982 8.129 -12.376 -4.800 1.00 0.00 C ATOM 967 O ARG A 982 8.797 -11.350 -4.983 1.00 0.00 O ATOM 968 CB ARG A 982 8.465 -14.687 -5.726 1.00 0.00 C ATOM 969 CG ARG A 982 9.150 -16.038 -5.613 1.00 0.00 C ATOM 970 CD ARG A 982 8.728 -16.981 -6.725 1.00 0.00 C ATOM 971 NE ARG A 982 9.086 -16.469 -8.047 1.00 0.00 N ATOM 972 CZ ARG A 982 10.141 -16.890 -8.744 1.00 0.00 C ATOM 973 NH1 ARG A 982 10.961 -17.802 -8.233 1.00 0.00 N ATOM 974 NH2 ARG A 982 10.382 -16.391 -9.951 1.00 0.00 N ATOM 0 H ARG A 982 7.834 -15.127 -3.364 1.00 0.00 H new ATOM 0 HA ARG A 982 9.899 -13.567 -4.582 1.00 0.00 H new ATOM 0 HB2 ARG A 982 7.385 -14.835 -5.742 1.00 0.00 H new ATOM 0 HB3 ARG A 982 8.738 -14.228 -6.676 1.00 0.00 H new ATOM 0 HG2 ARG A 982 10.231 -15.901 -5.644 1.00 0.00 H new ATOM 0 HG3 ARG A 982 8.913 -16.486 -4.648 1.00 0.00 H new ATOM 0 HD2 ARG A 982 9.198 -17.953 -6.574 1.00 0.00 H new ATOM 0 HD3 ARG A 982 7.650 -17.138 -6.677 1.00 0.00 H new ATOM 0 HE ARG A 982 8.494 -15.748 -8.460 1.00 0.00 H new ATOM 0 HH11 ARG A 982 10.784 -18.183 -7.303 1.00 0.00 H new ATOM 0 HH12 ARG A 982 11.767 -18.121 -8.770 1.00 0.00 H new ATOM 0 HH21 ARG A 982 9.760 -15.685 -10.345 1.00 0.00 H new ATOM 0 HH22 ARG A 982 11.190 -16.713 -10.484 1.00 0.00 H new ATOM 988 N GLU A 983 6.798 -12.348 -4.728 1.00 0.00 N ATOM 989 CA GLU A 983 6.081 -11.087 -4.900 1.00 0.00 C ATOM 990 C GLU A 983 6.166 -10.177 -3.705 1.00 0.00 C ATOM 991 O GLU A 983 6.297 -8.967 -3.864 1.00 0.00 O ATOM 992 CB GLU A 983 4.609 -11.286 -5.188 1.00 0.00 C ATOM 993 CG GLU A 983 4.209 -10.730 -6.529 1.00 0.00 C ATOM 994 CD GLU A 983 4.777 -11.542 -7.677 1.00 0.00 C ATOM 995 OE1 GLU A 983 4.233 -12.623 -7.972 1.00 0.00 O ATOM 996 OE2 GLU A 983 5.784 -11.121 -8.274 1.00 0.00 O ATOM 0 H GLU A 983 6.208 -13.162 -4.556 1.00 0.00 H new ATOM 0 HA GLU A 983 6.583 -10.627 -5.751 1.00 0.00 H new ATOM 0 HB2 GLU A 983 4.375 -12.350 -5.154 1.00 0.00 H new ATOM 0 HB3 GLU A 983 4.020 -10.805 -4.407 1.00 0.00 H new ATOM 0 HG2 GLU A 983 3.122 -10.710 -6.603 1.00 0.00 H new ATOM 0 HG3 GLU A 983 4.553 -9.699 -6.610 1.00 0.00 H new ATOM 1003 N ILE A 984 6.024 -10.719 -2.512 1.00 0.00 N ATOM 1004 CA ILE A 984 5.962 -9.858 -1.354 1.00 0.00 C ATOM 1005 C ILE A 984 7.256 -9.071 -1.252 1.00 0.00 C ATOM 1006 O ILE A 984 7.248 -7.895 -0.919 1.00 0.00 O ATOM 1007 CB ILE A 984 5.671 -10.619 -0.052 1.00 0.00 C ATOM 1008 CG1 ILE A 984 5.288 -9.626 1.048 1.00 0.00 C ATOM 1009 CG2 ILE A 984 6.884 -11.429 0.349 1.00 0.00 C ATOM 1010 CD1 ILE A 984 4.658 -10.267 2.262 1.00 0.00 C ATOM 0 H ILE A 984 5.952 -11.719 -2.324 1.00 0.00 H new ATOM 0 HA ILE A 984 5.122 -9.176 -1.489 1.00 0.00 H new ATOM 0 HB ILE A 984 4.837 -11.304 -0.205 1.00 0.00 H new ATOM 0 HG12 ILE A 984 6.180 -9.082 1.359 1.00 0.00 H new ATOM 0 HG13 ILE A 984 4.595 -8.893 0.636 1.00 0.00 H new ATOM 0 HG21 ILE A 984 6.673 -11.967 1.273 1.00 0.00 H new ATOM 0 HG22 ILE A 984 7.122 -12.142 -0.440 1.00 0.00 H new ATOM 0 HG23 ILE A 984 7.732 -10.762 0.503 1.00 0.00 H new ATOM 0 HD11 ILE A 984 4.416 -9.498 2.995 1.00 0.00 H new ATOM 0 HD12 ILE A 984 3.747 -10.787 1.967 1.00 0.00 H new ATOM 0 HD13 ILE A 984 5.356 -10.979 2.701 1.00 0.00 H new ATOM 1022 N GLU A 985 8.364 -9.707 -1.605 1.00 0.00 N ATOM 1023 CA GLU A 985 9.615 -8.980 -1.709 1.00 0.00 C ATOM 1024 C GLU A 985 9.522 -7.848 -2.735 1.00 0.00 C ATOM 1025 O GLU A 985 10.018 -6.752 -2.476 1.00 0.00 O ATOM 1026 CB GLU A 985 10.785 -9.906 -2.035 1.00 0.00 C ATOM 1027 CG GLU A 985 11.288 -10.688 -0.832 1.00 0.00 C ATOM 1028 CD GLU A 985 11.776 -9.788 0.289 1.00 0.00 C ATOM 1029 OE1 GLU A 985 12.856 -9.173 0.141 1.00 0.00 O ATOM 1030 OE2 GLU A 985 11.097 -9.693 1.327 1.00 0.00 O ATOM 0 H GLU A 985 8.421 -10.703 -1.819 1.00 0.00 H new ATOM 0 HA GLU A 985 9.804 -8.537 -0.731 1.00 0.00 H new ATOM 0 HB2 GLU A 985 10.479 -10.606 -2.812 1.00 0.00 H new ATOM 0 HB3 GLU A 985 11.604 -9.314 -2.443 1.00 0.00 H new ATOM 0 HG2 GLU A 985 10.487 -11.326 -0.458 1.00 0.00 H new ATOM 0 HG3 GLU A 985 12.100 -11.345 -1.144 1.00 0.00 H new ATOM 1037 N MET A 986 8.868 -8.069 -3.884 1.00 0.00 N ATOM 1038 CA MET A 986 8.819 -7.008 -4.887 1.00 0.00 C ATOM 1039 C MET A 986 7.973 -5.818 -4.410 1.00 0.00 C ATOM 1040 O MET A 986 8.506 -4.732 -4.223 1.00 0.00 O ATOM 1041 CB MET A 986 8.381 -7.487 -6.287 1.00 0.00 C ATOM 1042 CG MET A 986 6.929 -7.905 -6.434 1.00 0.00 C ATOM 1043 SD MET A 986 6.389 -7.920 -8.155 1.00 0.00 S ATOM 1044 CE MET A 986 7.710 -8.860 -8.916 1.00 0.00 C ATOM 0 H MET A 986 8.387 -8.934 -4.132 1.00 0.00 H new ATOM 0 HA MET A 986 9.849 -6.671 -5.003 1.00 0.00 H new ATOM 0 HB2 MET A 986 8.580 -6.687 -7.000 1.00 0.00 H new ATOM 0 HB3 MET A 986 9.010 -8.331 -6.572 1.00 0.00 H new ATOM 0 HG2 MET A 986 6.794 -8.898 -6.005 1.00 0.00 H new ATOM 0 HG3 MET A 986 6.298 -7.223 -5.864 1.00 0.00 H new ATOM 0 HE1 MET A 986 7.387 -9.214 -9.895 1.00 0.00 H new ATOM 0 HE2 MET A 986 8.589 -8.225 -9.031 1.00 0.00 H new ATOM 0 HE3 MET A 986 7.959 -9.713 -8.285 1.00 0.00 H new ATOM 1054 N ALA A 987 6.678 -6.021 -4.182 1.00 0.00 N ATOM 1055 CA ALA A 987 5.781 -4.920 -3.856 1.00 0.00 C ATOM 1056 C ALA A 987 5.884 -4.451 -2.409 1.00 0.00 C ATOM 1057 O ALA A 987 5.711 -3.276 -2.153 1.00 0.00 O ATOM 1058 CB ALA A 987 4.342 -5.269 -4.190 1.00 0.00 C ATOM 0 H ALA A 987 6.229 -6.936 -4.217 1.00 0.00 H new ATOM 0 HA ALA A 987 6.107 -4.086 -4.478 1.00 0.00 H new ATOM 0 HB1 ALA A 987 3.696 -4.429 -3.936 1.00 0.00 H new ATOM 0 HB2 ALA A 987 4.257 -5.483 -5.255 1.00 0.00 H new ATOM 0 HB3 ALA A 987 4.038 -6.146 -3.619 1.00 0.00 H new ATOM 1064 N GLN A 988 6.154 -5.335 -1.455 1.00 0.00 N ATOM 1065 CA GLN A 988 6.184 -4.902 -0.055 1.00 0.00 C ATOM 1066 C GLN A 988 7.418 -4.044 0.199 1.00 0.00 C ATOM 1067 O GLN A 988 7.340 -3.016 0.873 1.00 0.00 O ATOM 1068 CB GLN A 988 6.128 -6.094 0.910 1.00 0.00 C ATOM 1069 CG GLN A 988 5.916 -5.719 2.371 1.00 0.00 C ATOM 1070 CD GLN A 988 7.186 -5.269 3.069 1.00 0.00 C ATOM 1071 OE1 GLN A 988 8.281 -5.721 2.749 1.00 0.00 O ATOM 1072 NE2 GLN A 988 7.042 -4.370 4.028 1.00 0.00 N ATOM 0 H GLN A 988 6.350 -6.324 -1.611 1.00 0.00 H new ATOM 0 HA GLN A 988 5.295 -4.300 0.134 1.00 0.00 H new ATOM 0 HB2 GLN A 988 5.322 -6.759 0.599 1.00 0.00 H new ATOM 0 HB3 GLN A 988 7.057 -6.658 0.825 1.00 0.00 H new ATOM 0 HG2 GLN A 988 5.176 -4.921 2.430 1.00 0.00 H new ATOM 0 HG3 GLN A 988 5.503 -6.577 2.902 1.00 0.00 H new ATOM 0 HE21 GLN A 988 6.113 -4.020 4.263 1.00 0.00 H new ATOM 0 HE22 GLN A 988 7.860 -4.027 4.532 1.00 0.00 H new ATOM 1081 N LYS A 989 8.553 -4.449 -0.362 1.00 0.00 N ATOM 1082 CA LYS A 989 9.761 -3.637 -0.270 1.00 0.00 C ATOM 1083 C LYS A 989 9.599 -2.404 -1.144 1.00 0.00 C ATOM 1084 O LYS A 989 10.238 -1.373 -0.928 1.00 0.00 O ATOM 1085 CB LYS A 989 10.992 -4.440 -0.688 1.00 0.00 C ATOM 1086 CG LYS A 989 11.231 -5.662 0.180 1.00 0.00 C ATOM 1087 CD LYS A 989 11.326 -5.286 1.649 1.00 0.00 C ATOM 1088 CE LYS A 989 11.468 -6.512 2.529 1.00 0.00 C ATOM 1089 NZ LYS A 989 12.688 -7.293 2.204 1.00 0.00 N ATOM 0 H LYS A 989 8.662 -5.322 -0.878 1.00 0.00 H new ATOM 0 HA LYS A 989 9.908 -3.329 0.765 1.00 0.00 H new ATOM 0 HB2 LYS A 989 10.877 -4.756 -1.725 1.00 0.00 H new ATOM 0 HB3 LYS A 989 11.870 -3.795 -0.646 1.00 0.00 H new ATOM 0 HG2 LYS A 989 10.420 -6.376 0.037 1.00 0.00 H new ATOM 0 HG3 LYS A 989 12.151 -6.157 -0.131 1.00 0.00 H new ATOM 0 HD2 LYS A 989 12.180 -4.626 1.802 1.00 0.00 H new ATOM 0 HD3 LYS A 989 10.436 -4.728 1.941 1.00 0.00 H new ATOM 0 HE2 LYS A 989 11.502 -6.206 3.574 1.00 0.00 H new ATOM 0 HE3 LYS A 989 10.590 -7.146 2.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 989 12.810 -8.053 2.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 989 12.592 -7.707 1.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 989 13.518 -6.666 2.226 1.00 0.00 H new ATOM 1103 N LEU A 990 8.714 -2.527 -2.122 1.00 0.00 N ATOM 1104 CA LEU A 990 8.361 -1.426 -2.992 1.00 0.00 C ATOM 1105 C LEU A 990 7.560 -0.400 -2.198 1.00 0.00 C ATOM 1106 O LEU A 990 7.873 0.788 -2.217 1.00 0.00 O ATOM 1107 CB LEU A 990 7.580 -1.995 -4.184 1.00 0.00 C ATOM 1108 CG LEU A 990 6.785 -1.029 -5.051 1.00 0.00 C ATOM 1109 CD1 LEU A 990 7.609 0.201 -5.396 1.00 0.00 C ATOM 1110 CD2 LEU A 990 6.364 -1.743 -6.319 1.00 0.00 C ATOM 0 H LEU A 990 8.222 -3.396 -2.331 1.00 0.00 H new ATOM 0 HA LEU A 990 9.243 -0.914 -3.377 1.00 0.00 H new ATOM 0 HB2 LEU A 990 8.289 -2.515 -4.829 1.00 0.00 H new ATOM 0 HB3 LEU A 990 6.888 -2.745 -3.801 1.00 0.00 H new ATOM 0 HG LEU A 990 5.906 -0.697 -4.498 1.00 0.00 H new ATOM 0 HD11 LEU A 990 7.016 0.874 -6.016 1.00 0.00 H new ATOM 0 HD12 LEU A 990 7.899 0.714 -4.479 1.00 0.00 H new ATOM 0 HD13 LEU A 990 8.503 -0.101 -5.941 1.00 0.00 H new ATOM 0 HD21 LEU A 990 5.793 -1.060 -6.949 1.00 0.00 H new ATOM 0 HD22 LEU A 990 7.250 -2.079 -6.858 1.00 0.00 H new ATOM 0 HD23 LEU A 990 5.746 -2.604 -6.064 1.00 0.00 H new ATOM 1122 N LEU A 991 6.556 -0.886 -1.480 1.00 0.00 N ATOM 1123 CA LEU A 991 5.757 -0.064 -0.580 1.00 0.00 C ATOM 1124 C LEU A 991 6.641 0.685 0.403 1.00 0.00 C ATOM 1125 O LEU A 991 6.421 1.859 0.676 1.00 0.00 O ATOM 1126 CB LEU A 991 4.762 -0.932 0.181 1.00 0.00 C ATOM 1127 CG LEU A 991 3.794 -1.706 -0.705 1.00 0.00 C ATOM 1128 CD1 LEU A 991 2.953 -2.655 0.125 1.00 0.00 C ATOM 1129 CD2 LEU A 991 2.907 -0.749 -1.481 1.00 0.00 C ATOM 0 H LEU A 991 6.272 -1.865 -1.505 1.00 0.00 H new ATOM 0 HA LEU A 991 5.214 0.665 -1.182 1.00 0.00 H new ATOM 0 HB2 LEU A 991 5.314 -1.640 0.799 1.00 0.00 H new ATOM 0 HB3 LEU A 991 4.189 -0.298 0.857 1.00 0.00 H new ATOM 0 HG LEU A 991 4.373 -2.295 -1.416 1.00 0.00 H new ATOM 0 HD11 LEU A 991 2.268 -3.198 -0.526 1.00 0.00 H new ATOM 0 HD12 LEU A 991 3.603 -3.363 0.639 1.00 0.00 H new ATOM 0 HD13 LEU A 991 2.382 -2.087 0.860 1.00 0.00 H new ATOM 0 HD21 LEU A 991 2.221 -1.317 -2.109 1.00 0.00 H new ATOM 0 HD22 LEU A 991 2.337 -0.135 -0.784 1.00 0.00 H new ATOM 0 HD23 LEU A 991 3.526 -0.107 -2.108 1.00 0.00 H new ATOM 1141 N ASN A 992 7.632 -0.009 0.948 1.00 0.00 N ATOM 1142 CA ASN A 992 8.628 0.629 1.801 1.00 0.00 C ATOM 1143 C ASN A 992 9.208 1.868 1.115 1.00 0.00 C ATOM 1144 O ASN A 992 9.438 2.893 1.753 1.00 0.00 O ATOM 1145 CB ASN A 992 9.749 -0.357 2.140 1.00 0.00 C ATOM 1146 CG ASN A 992 10.674 0.164 3.226 1.00 0.00 C ATOM 1147 OD1 ASN A 992 10.252 0.899 4.118 1.00 0.00 O ATOM 1148 ND2 ASN A 992 11.940 -0.220 3.166 1.00 0.00 N ATOM 0 H ASN A 992 7.768 -1.011 0.815 1.00 0.00 H new ATOM 0 HA ASN A 992 8.140 0.939 2.725 1.00 0.00 H new ATOM 0 HB2 ASN A 992 9.312 -1.302 2.462 1.00 0.00 H new ATOM 0 HB3 ASN A 992 10.330 -0.565 1.241 1.00 0.00 H new ATOM 0 HD21 ASN A 992 12.602 0.094 3.875 1.00 0.00 H new ATOM 0 HD22 ASN A 992 12.253 -0.830 2.411 1.00 0.00 H new ATOM 1155 N SER A 993 9.424 1.765 -0.190 1.00 0.00 N ATOM 1156 CA SER A 993 9.947 2.872 -0.972 1.00 0.00 C ATOM 1157 C SER A 993 8.862 3.917 -1.268 1.00 0.00 C ATOM 1158 O SER A 993 9.075 5.107 -1.043 1.00 0.00 O ATOM 1159 CB SER A 993 10.558 2.355 -2.280 1.00 0.00 C ATOM 1160 OG SER A 993 11.130 3.412 -3.039 1.00 0.00 O ATOM 0 H SER A 993 9.243 0.919 -0.730 1.00 0.00 H new ATOM 0 HA SER A 993 10.724 3.358 -0.382 1.00 0.00 H new ATOM 0 HB2 SER A 993 11.322 1.610 -2.057 1.00 0.00 H new ATOM 0 HB3 SER A 993 9.789 1.856 -2.870 1.00 0.00 H new ATOM 0 HG SER A 993 11.513 3.051 -3.866 1.00 0.00 H new ATOM 1166 N ASP A 994 7.706 3.481 -1.775 1.00 0.00 N ATOM 1167 CA ASP A 994 6.666 4.424 -2.201 1.00 0.00 C ATOM 1168 C ASP A 994 5.970 5.092 -1.020 1.00 0.00 C ATOM 1169 O ASP A 994 5.672 6.282 -1.079 1.00 0.00 O ATOM 1170 CB ASP A 994 5.635 3.780 -3.136 1.00 0.00 C ATOM 1171 CG ASP A 994 5.027 2.509 -2.591 1.00 0.00 C ATOM 1172 OD1 ASP A 994 4.274 2.577 -1.603 1.00 0.00 O ATOM 1173 OD2 ASP A 994 5.298 1.442 -3.170 1.00 0.00 O ATOM 0 H ASP A 994 7.467 2.497 -1.900 1.00 0.00 H new ATOM 0 HA ASP A 994 7.186 5.198 -2.765 1.00 0.00 H new ATOM 0 HB2 ASP A 994 4.838 4.498 -3.332 1.00 0.00 H new ATOM 0 HB3 ASP A 994 6.111 3.563 -4.092 1.00 0.00 H new ATOM 1178 N LEU A 995 5.702 4.351 0.047 1.00 0.00 N ATOM 1179 CA LEU A 995 5.211 4.973 1.273 1.00 0.00 C ATOM 1180 C LEU A 995 6.220 6.036 1.722 1.00 0.00 C ATOM 1181 O LEU A 995 5.846 7.160 2.033 1.00 0.00 O ATOM 1182 CB LEU A 995 4.928 3.905 2.368 1.00 0.00 C ATOM 1183 CG LEU A 995 4.521 4.411 3.762 1.00 0.00 C ATOM 1184 CD1 LEU A 995 5.740 4.799 4.589 1.00 0.00 C ATOM 1185 CD2 LEU A 995 3.548 5.578 3.648 1.00 0.00 C ATOM 0 H LEU A 995 5.813 3.338 0.092 1.00 0.00 H new ATOM 0 HA LEU A 995 4.256 5.465 1.089 1.00 0.00 H new ATOM 0 HB2 LEU A 995 4.137 3.250 2.003 1.00 0.00 H new ATOM 0 HB3 LEU A 995 5.823 3.292 2.480 1.00 0.00 H new ATOM 0 HG LEU A 995 4.018 3.594 4.280 1.00 0.00 H new ATOM 0 HD11 LEU A 995 5.418 5.152 5.568 1.00 0.00 H new ATOM 0 HD12 LEU A 995 6.388 3.931 4.711 1.00 0.00 H new ATOM 0 HD13 LEU A 995 6.288 5.592 4.080 1.00 0.00 H new ATOM 0 HD21 LEU A 995 3.273 5.921 4.645 1.00 0.00 H new ATOM 0 HD22 LEU A 995 4.021 6.394 3.101 1.00 0.00 H new ATOM 0 HD23 LEU A 995 2.653 5.255 3.116 1.00 0.00 H new ATOM 1197 N ALA A 996 7.498 5.663 1.750 1.00 0.00 N ATOM 1198 CA ALA A 996 8.585 6.624 1.991 1.00 0.00 C ATOM 1199 C ALA A 996 8.524 7.845 1.057 1.00 0.00 C ATOM 1200 O ALA A 996 8.981 8.931 1.415 1.00 0.00 O ATOM 1201 CB ALA A 996 9.941 5.944 1.888 1.00 0.00 C ATOM 0 H ALA A 996 7.812 4.703 1.609 1.00 0.00 H new ATOM 0 HA ALA A 996 8.448 6.996 3.006 1.00 0.00 H new ATOM 0 HB1 ALA A 996 10.729 6.675 2.070 1.00 0.00 H new ATOM 0 HB2 ALA A 996 10.006 5.148 2.630 1.00 0.00 H new ATOM 0 HB3 ALA A 996 10.061 5.521 0.890 1.00 0.00 H new ATOM 1207 N GLU A 997 7.937 7.674 -0.114 1.00 0.00 N ATOM 1208 CA GLU A 997 7.762 8.793 -1.035 1.00 0.00 C ATOM 1209 C GLU A 997 6.589 9.642 -0.618 1.00 0.00 C ATOM 1210 O GLU A 997 6.603 10.848 -0.785 1.00 0.00 O ATOM 1211 CB GLU A 997 7.554 8.351 -2.467 1.00 0.00 C ATOM 1212 CG GLU A 997 8.770 7.689 -3.063 1.00 0.00 C ATOM 1213 CD GLU A 997 9.696 8.683 -3.734 1.00 0.00 C ATOM 1214 OE1 GLU A 997 10.270 9.545 -3.036 1.00 0.00 O ATOM 1215 OE2 GLU A 997 9.861 8.601 -4.970 1.00 0.00 O ATOM 0 H GLU A 997 7.575 6.782 -0.451 1.00 0.00 H new ATOM 0 HA GLU A 997 8.687 9.368 -0.990 1.00 0.00 H new ATOM 0 HB2 GLU A 997 6.713 7.659 -2.509 1.00 0.00 H new ATOM 0 HB3 GLU A 997 7.285 9.216 -3.073 1.00 0.00 H new ATOM 0 HG2 GLU A 997 9.314 7.161 -2.280 1.00 0.00 H new ATOM 0 HG3 GLU A 997 8.454 6.942 -3.791 1.00 0.00 H new ATOM 1222 N LEU A 998 5.565 9.013 -0.086 1.00 0.00 N ATOM 1223 CA LEU A 998 4.394 9.754 0.328 1.00 0.00 C ATOM 1224 C LEU A 998 4.639 10.389 1.670 1.00 0.00 C ATOM 1225 O LEU A 998 4.145 11.475 1.952 1.00 0.00 O ATOM 1226 CB LEU A 998 3.144 8.882 0.359 1.00 0.00 C ATOM 1227 CG LEU A 998 2.411 8.800 -0.976 1.00 0.00 C ATOM 1228 CD1 LEU A 998 3.238 8.042 -1.994 1.00 0.00 C ATOM 1229 CD2 LEU A 998 1.047 8.162 -0.797 1.00 0.00 C ATOM 0 H LEU A 998 5.518 8.006 0.069 1.00 0.00 H new ATOM 0 HA LEU A 998 4.214 10.535 -0.410 1.00 0.00 H new ATOM 0 HB2 LEU A 998 3.423 7.876 0.671 1.00 0.00 H new ATOM 0 HB3 LEU A 998 2.461 9.271 1.114 1.00 0.00 H new ATOM 0 HG LEU A 998 2.263 9.813 -1.351 1.00 0.00 H new ATOM 0 HD11 LEU A 998 2.697 7.995 -2.939 1.00 0.00 H new ATOM 0 HD12 LEU A 998 4.188 8.554 -2.145 1.00 0.00 H new ATOM 0 HD13 LEU A 998 3.424 7.031 -1.631 1.00 0.00 H new ATOM 0 HD21 LEU A 998 0.539 8.112 -1.760 1.00 0.00 H new ATOM 0 HD22 LEU A 998 1.166 7.155 -0.397 1.00 0.00 H new ATOM 0 HD23 LEU A 998 0.454 8.760 -0.105 1.00 0.00 H new ATOM 1241 N ILE A 999 5.429 9.731 2.491 1.00 0.00 N ATOM 1242 CA ILE A 999 5.798 10.332 3.769 1.00 0.00 C ATOM 1243 C ILE A 999 6.714 11.525 3.532 1.00 0.00 C ATOM 1244 O ILE A 999 6.846 12.394 4.386 1.00 0.00 O ATOM 1245 CB ILE A 999 6.457 9.361 4.776 1.00 0.00 C ATOM 1246 CG1 ILE A 999 7.787 8.825 4.249 1.00 0.00 C ATOM 1247 CG2 ILE A 999 5.507 8.225 5.112 1.00 0.00 C ATOM 1248 CD1 ILE A 999 8.541 7.976 5.251 1.00 0.00 C ATOM 0 H ILE A 999 5.822 8.807 2.312 1.00 0.00 H new ATOM 0 HA ILE A 999 4.860 10.642 4.229 1.00 0.00 H new ATOM 0 HB ILE A 999 6.671 9.916 5.689 1.00 0.00 H new ATOM 0 HG12 ILE A 999 7.601 8.234 3.352 1.00 0.00 H new ATOM 0 HG13 ILE A 999 8.415 9.665 3.952 1.00 0.00 H new ATOM 0 HG21 ILE A 999 5.984 7.549 5.822 1.00 0.00 H new ATOM 0 HG22 ILE A 999 4.596 8.631 5.553 1.00 0.00 H new ATOM 0 HG23 ILE A 999 5.257 7.678 4.203 1.00 0.00 H new ATOM 0 HD11 ILE A 999 9.474 7.631 4.806 1.00 0.00 H new ATOM 0 HD12 ILE A 999 8.759 8.569 6.139 1.00 0.00 H new ATOM 0 HD13 ILE A 999 7.932 7.116 5.530 1.00 0.00 H new ATOM 1260 N ASN A1000 7.343 11.565 2.361 1.00 0.00 N ATOM 1261 CA ASN A1000 8.090 12.744 1.953 1.00 0.00 C ATOM 1262 C ASN A1000 7.216 13.621 1.070 1.00 0.00 C ATOM 1263 O ASN A1000 7.502 14.773 0.870 1.00 0.00 O ATOM 1264 CB ASN A1000 9.429 12.359 1.282 1.00 0.00 C ATOM 1265 CG ASN A1000 9.366 12.027 -0.208 1.00 0.00 C ATOM 1266 OD1 ASN A1000 8.790 12.754 -1.014 1.00 0.00 O ATOM 1267 ND2 ASN A1000 9.971 10.909 -0.583 1.00 0.00 N ATOM 0 H ASN A1000 7.349 10.801 1.685 1.00 0.00 H new ATOM 0 HA ASN A1000 8.358 13.325 2.836 1.00 0.00 H new ATOM 0 HB2 ASN A1000 10.130 13.182 1.420 1.00 0.00 H new ATOM 0 HB3 ASN A1000 9.840 11.497 1.808 1.00 0.00 H new ATOM 0 HD21 ASN A1000 9.967 10.631 -1.564 1.00 0.00 H new ATOM 0 HD22 ASN A1000 10.441 10.326 0.110 1.00 0.00 H new ATOM 1274 N LYS A1001 6.151 13.052 0.547 1.00 0.00 N ATOM 1275 CA LYS A1001 5.093 13.819 -0.112 1.00 0.00 C ATOM 1276 C LYS A1001 4.386 14.706 0.904 1.00 0.00 C ATOM 1277 O LYS A1001 4.078 15.868 0.631 1.00 0.00 O ATOM 1278 CB LYS A1001 4.105 12.860 -0.799 1.00 0.00 C ATOM 1279 CG LYS A1001 2.687 13.393 -0.995 1.00 0.00 C ATOM 1280 CD LYS A1001 2.637 14.567 -1.954 1.00 0.00 C ATOM 1281 CE LYS A1001 1.212 14.859 -2.398 1.00 0.00 C ATOM 1282 NZ LYS A1001 1.134 16.050 -3.284 1.00 0.00 N ATOM 0 H LYS A1001 5.986 12.046 0.562 1.00 0.00 H new ATOM 0 HA LYS A1001 5.530 14.462 -0.876 1.00 0.00 H new ATOM 0 HB2 LYS A1001 4.509 12.590 -1.775 1.00 0.00 H new ATOM 0 HB3 LYS A1001 4.050 11.943 -0.212 1.00 0.00 H new ATOM 0 HG2 LYS A1001 2.050 12.593 -1.371 1.00 0.00 H new ATOM 0 HG3 LYS A1001 2.280 13.698 -0.031 1.00 0.00 H new ATOM 0 HD2 LYS A1001 3.058 15.450 -1.473 1.00 0.00 H new ATOM 0 HD3 LYS A1001 3.255 14.353 -2.826 1.00 0.00 H new ATOM 0 HE2 LYS A1001 0.811 13.991 -2.922 1.00 0.00 H new ATOM 0 HE3 LYS A1001 0.585 15.019 -1.521 1.00 0.00 H new ATOM 0 HZ1 LYS A1001 0.168 16.142 -3.657 1.00 0.00 H new ATOM 0 HZ2 LYS A1001 1.379 16.903 -2.742 1.00 0.00 H new ATOM 0 HZ3 LYS A1001 1.801 15.939 -4.074 1.00 0.00 H new ATOM 1296 N MET A1002 4.155 14.156 2.084 1.00 0.00 N ATOM 1297 CA MET A1002 3.542 14.905 3.161 1.00 0.00 C ATOM 1298 C MET A1002 4.594 15.790 3.778 1.00 0.00 C ATOM 1299 O MET A1002 4.321 16.907 4.207 1.00 0.00 O ATOM 1300 CB MET A1002 2.949 13.971 4.219 1.00 0.00 C ATOM 1301 CG MET A1002 3.973 13.192 5.030 1.00 0.00 C ATOM 1302 SD MET A1002 3.219 12.158 6.298 1.00 0.00 S ATOM 1303 CE MET A1002 4.671 11.554 7.159 1.00 0.00 C ATOM 0 H MET A1002 4.385 13.190 2.318 1.00 0.00 H new ATOM 0 HA MET A1002 2.724 15.506 2.764 1.00 0.00 H new ATOM 0 HB2 MET A1002 2.338 14.561 4.902 1.00 0.00 H new ATOM 0 HB3 MET A1002 2.283 13.263 3.726 1.00 0.00 H new ATOM 0 HG2 MET A1002 4.561 12.566 4.359 1.00 0.00 H new ATOM 0 HG3 MET A1002 4.664 13.891 5.501 1.00 0.00 H new ATOM 0 HE1 MET A1002 4.585 10.477 7.306 1.00 0.00 H new ATOM 0 HE2 MET A1002 5.561 11.769 6.567 1.00 0.00 H new ATOM 0 HE3 MET A1002 4.751 12.047 8.128 1.00 0.00 H new ATOM 1313 N LYS A1003 5.808 15.264 3.794 1.00 0.00 N ATOM 1314 CA LYS A1003 6.962 15.986 4.266 1.00 0.00 C ATOM 1315 C LYS A1003 7.167 17.214 3.398 1.00 0.00 C ATOM 1316 O LYS A1003 7.099 18.324 3.874 1.00 0.00 O ATOM 1317 CB LYS A1003 8.183 15.073 4.161 1.00 0.00 C ATOM 1318 CG LYS A1003 9.261 15.323 5.184 1.00 0.00 C ATOM 1319 CD LYS A1003 10.487 14.466 4.899 1.00 0.00 C ATOM 1320 CE LYS A1003 11.506 14.525 6.026 1.00 0.00 C ATOM 1321 NZ LYS A1003 11.017 13.849 7.259 1.00 0.00 N ATOM 0 H LYS A1003 6.014 14.317 3.476 1.00 0.00 H new ATOM 0 HA LYS A1003 6.820 16.296 5.301 1.00 0.00 H new ATOM 0 HB2 LYS A1003 7.852 14.038 4.251 1.00 0.00 H new ATOM 0 HB3 LYS A1003 8.615 15.184 3.167 1.00 0.00 H new ATOM 0 HG2 LYS A1003 9.539 16.377 5.176 1.00 0.00 H new ATOM 0 HG3 LYS A1003 8.881 15.101 6.181 1.00 0.00 H new ATOM 0 HD2 LYS A1003 10.177 13.432 4.746 1.00 0.00 H new ATOM 0 HD3 LYS A1003 10.954 14.800 3.972 1.00 0.00 H new ATOM 0 HE2 LYS A1003 12.434 14.056 5.700 1.00 0.00 H new ATOM 0 HE3 LYS A1003 11.737 15.566 6.251 1.00 0.00 H new ATOM 0 HZ1 LYS A1003 11.806 13.733 7.927 1.00 0.00 H new ATOM 0 HZ2 LYS A1003 10.272 14.426 7.699 1.00 0.00 H new ATOM 0 HZ3 LYS A1003 10.631 12.915 7.013 1.00 0.00 H new ATOM 1335 N LEU A1004 7.302 16.963 2.106 1.00 0.00 N ATOM 1336 CA LEU A1004 7.670 17.974 1.119 1.00 0.00 C ATOM 1337 C LEU A1004 6.603 19.044 0.942 1.00 0.00 C ATOM 1338 O LEU A1004 6.913 20.235 0.951 1.00 0.00 O ATOM 1339 CB LEU A1004 7.984 17.326 -0.232 1.00 0.00 C ATOM 1340 CG LEU A1004 9.413 16.789 -0.384 1.00 0.00 C ATOM 1341 CD1 LEU A1004 9.643 16.267 -1.792 1.00 0.00 C ATOM 1342 CD2 LEU A1004 10.432 17.866 -0.048 1.00 0.00 C ATOM 0 H LEU A1004 7.157 16.037 1.704 1.00 0.00 H new ATOM 0 HA LEU A1004 8.563 18.466 1.504 1.00 0.00 H new ATOM 0 HB2 LEU A1004 7.286 16.505 -0.394 1.00 0.00 H new ATOM 0 HB3 LEU A1004 7.803 18.058 -1.019 1.00 0.00 H new ATOM 0 HG LEU A1004 9.540 15.964 0.317 1.00 0.00 H new ATOM 0 HD11 LEU A1004 10.662 15.891 -1.879 1.00 0.00 H new ATOM 0 HD12 LEU A1004 8.940 15.461 -2.001 1.00 0.00 H new ATOM 0 HD13 LEU A1004 9.492 17.074 -2.509 1.00 0.00 H new ATOM 0 HD21 LEU A1004 11.438 17.463 -0.163 1.00 0.00 H new ATOM 0 HD22 LEU A1004 10.301 18.713 -0.721 1.00 0.00 H new ATOM 0 HD23 LEU A1004 10.288 18.195 0.981 1.00 0.00 H new ATOM 1354 N ALA A1005 5.356 18.633 0.775 1.00 0.00 N ATOM 1355 CA ALA A1005 4.277 19.586 0.572 1.00 0.00 C ATOM 1356 C ALA A1005 4.154 20.517 1.774 1.00 0.00 C ATOM 1357 O ALA A1005 4.102 21.741 1.636 1.00 0.00 O ATOM 1358 CB ALA A1005 2.970 18.853 0.324 1.00 0.00 C ATOM 0 H ALA A1005 5.068 17.655 0.776 1.00 0.00 H new ATOM 0 HA ALA A1005 4.505 20.192 -0.305 1.00 0.00 H new ATOM 0 HB1 ALA A1005 2.170 19.577 0.173 1.00 0.00 H new ATOM 0 HB2 ALA A1005 3.066 18.228 -0.564 1.00 0.00 H new ATOM 0 HB3 ALA A1005 2.735 18.226 1.185 1.00 0.00 H new ATOM 1364 N GLN A1006 4.149 19.923 2.955 1.00 0.00 N ATOM 1365 CA GLN A1006 4.018 20.676 4.187 1.00 0.00 C ATOM 1366 C GLN A1006 5.349 21.340 4.555 1.00 0.00 C ATOM 1367 O GLN A1006 5.398 22.235 5.399 1.00 0.00 O ATOM 1368 CB GLN A1006 3.505 19.736 5.287 1.00 0.00 C ATOM 1369 CG GLN A1006 4.543 19.277 6.298 1.00 0.00 C ATOM 1370 CD GLN A1006 4.452 20.051 7.600 1.00 0.00 C ATOM 1371 OE1 GLN A1006 3.379 20.518 7.986 1.00 0.00 O ATOM 1372 NE2 GLN A1006 5.569 20.191 8.289 1.00 0.00 N ATOM 0 H GLN A1006 4.235 18.915 3.085 1.00 0.00 H new ATOM 0 HA GLN A1006 3.296 21.483 4.063 1.00 0.00 H new ATOM 0 HB2 GLN A1006 2.700 20.239 5.823 1.00 0.00 H new ATOM 0 HB3 GLN A1006 3.071 18.855 4.814 1.00 0.00 H new ATOM 0 HG2 GLN A1006 4.408 18.214 6.498 1.00 0.00 H new ATOM 0 HG3 GLN A1006 5.540 19.398 5.874 1.00 0.00 H new ATOM 0 HE21 GLN A1006 6.439 19.790 7.938 1.00 0.00 H new ATOM 0 HE22 GLN A1006 5.563 20.700 9.173 1.00 0.00 H new ATOM 1381 N GLN A1007 6.422 20.897 3.905 1.00 0.00 N ATOM 1382 CA GLN A1007 7.749 21.448 4.116 1.00 0.00 C ATOM 1383 C GLN A1007 7.911 22.736 3.324 1.00 0.00 C ATOM 1384 O GLN A1007 8.455 23.724 3.815 1.00 0.00 O ATOM 1385 CB GLN A1007 8.797 20.434 3.656 1.00 0.00 C ATOM 1386 CG GLN A1007 10.004 20.311 4.566 1.00 0.00 C ATOM 1387 CD GLN A1007 9.627 19.867 5.969 1.00 0.00 C ATOM 1388 OE1 GLN A1007 10.295 20.220 6.942 1.00 0.00 O ATOM 1389 NE2 GLN A1007 8.551 19.095 6.090 1.00 0.00 N ATOM 0 H GLN A1007 6.391 20.145 3.217 1.00 0.00 H new ATOM 0 HA GLN A1007 7.883 21.662 5.176 1.00 0.00 H new ATOM 0 HB2 GLN A1007 8.323 19.456 3.570 1.00 0.00 H new ATOM 0 HB3 GLN A1007 9.138 20.712 2.659 1.00 0.00 H new ATOM 0 HG2 GLN A1007 10.707 19.596 4.138 1.00 0.00 H new ATOM 0 HG3 GLN A1007 10.517 21.271 4.617 1.00 0.00 H new ATOM 0 HE21 GLN A1007 8.023 18.823 5.261 1.00 0.00 H new ATOM 0 HE22 GLN A1007 8.254 18.775 7.012 1.00 0.00 H new ATOM 1398 N TYR A1008 7.436 22.710 2.086 1.00 0.00 N ATOM 1399 CA TYR A1008 7.552 23.858 1.204 1.00 0.00 C ATOM 1400 C TYR A1008 6.220 24.559 1.032 1.00 0.00 C ATOM 1401 O TYR A1008 5.995 25.182 -0.006 1.00 0.00 O ATOM 1402 CB TYR A1008 7.996 23.460 -0.190 1.00 0.00 C ATOM 1403 CG TYR A1008 9.263 22.657 -0.303 1.00 0.00 C ATOM 1404 CD1 TYR A1008 10.326 22.768 0.583 1.00 0.00 C ATOM 1405 CD2 TYR A1008 9.386 21.804 -1.362 1.00 0.00 C ATOM 1406 CE1 TYR A1008 11.479 22.021 0.393 1.00 0.00 C ATOM 1407 CE2 TYR A1008 10.513 21.064 -1.576 1.00 0.00 C ATOM 1408 CZ TYR A1008 11.566 21.170 -0.693 1.00 0.00 C ATOM 1409 OH TYR A1008 12.707 20.431 -0.903 1.00 0.00 O ATOM 0 H TYR A1008 6.967 21.905 1.672 1.00 0.00 H new ATOM 0 HA TYR A1008 8.288 24.510 1.674 1.00 0.00 H new ATOM 0 HB2 TYR A1008 7.191 22.888 -0.651 1.00 0.00 H new ATOM 0 HB3 TYR A1008 8.118 24.369 -0.778 1.00 0.00 H new ATOM 0 HD1 TYR A1008 10.255 23.440 1.425 1.00 0.00 H new ATOM 0 HD2 TYR A1008 8.563 21.711 -2.055 1.00 0.00 H new ATOM 0 HE1 TYR A1008 12.302 22.103 1.088 1.00 0.00 H new ATOM 0 HE2 TYR A1008 10.579 20.403 -2.428 1.00 0.00 H new ATOM 0 HH TYR A1008 12.599 19.885 -1.710 1.00 0.00 H new ATOM 1496 N GLN A1014 4.881 25.854 -3.524 1.00 0.00 N ATOM 1497 CA GLN A1014 4.251 24.679 -2.946 1.00 0.00 C ATOM 1498 C GLN A1014 3.693 23.783 -4.049 1.00 0.00 C ATOM 1499 O GLN A1014 3.961 22.583 -4.076 1.00 0.00 O ATOM 1500 CB GLN A1014 3.132 25.111 -1.983 1.00 0.00 C ATOM 1501 CG GLN A1014 2.692 24.047 -0.983 1.00 0.00 C ATOM 1502 CD GLN A1014 1.790 23.006 -1.598 1.00 0.00 C ATOM 1503 OE1 GLN A1014 2.377 21.932 -2.085 1.00 0.00 O flip ATOM 1504 NE2 GLN A1014 0.571 23.157 -1.625 1.00 0.00 N flip ATOM 0 HA GLN A1014 4.996 24.111 -2.388 1.00 0.00 H new ATOM 0 HB2 GLN A1014 3.468 25.989 -1.431 1.00 0.00 H new ATOM 0 HB3 GLN A1014 2.266 25.416 -2.571 1.00 0.00 H new ATOM 0 HG2 GLN A1014 3.573 23.558 -0.568 1.00 0.00 H new ATOM 0 HG3 GLN A1014 2.173 24.527 -0.153 1.00 0.00 H new ATOM 0 HE21 GLN A1014 0.153 24.003 -1.238 1.00 0.00 H new ATOM 0 HE22 GLN A1014 -0.023 22.436 -2.035 1.00 0.00 H new ATOM 1513 N GLN A1015 2.951 24.386 -4.976 1.00 0.00 N ATOM 1514 CA GLN A1015 2.213 23.636 -5.995 1.00 0.00 C ATOM 1515 C GLN A1015 3.092 22.663 -6.785 1.00 0.00 C ATOM 1516 O GLN A1015 2.616 21.605 -7.173 1.00 0.00 O ATOM 1517 CB GLN A1015 1.515 24.590 -6.952 1.00 0.00 C ATOM 1518 CG GLN A1015 -0.006 24.623 -6.822 1.00 0.00 C ATOM 1519 CD GLN A1015 -0.520 25.361 -5.592 1.00 0.00 C ATOM 1520 OE1 GLN A1015 0.203 25.290 -4.486 1.00 0.00 O flip ATOM 1521 NE2 GLN A1015 -1.584 25.975 -5.635 1.00 0.00 N flip ATOM 0 H GLN A1015 2.844 25.398 -5.044 1.00 0.00 H new ATOM 0 HA GLN A1015 1.476 23.037 -5.460 1.00 0.00 H new ATOM 0 HB2 GLN A1015 1.902 25.596 -6.788 1.00 0.00 H new ATOM 0 HB3 GLN A1015 1.773 24.312 -7.974 1.00 0.00 H new ATOM 0 HG2 GLN A1015 -0.424 25.092 -7.713 1.00 0.00 H new ATOM 0 HG3 GLN A1015 -0.378 23.599 -6.797 1.00 0.00 H new ATOM 0 HE21 GLN A1015 -2.118 26.011 -6.504 1.00 0.00 H new ATOM 0 HE22 GLN A1015 -1.933 26.449 -4.802 1.00 0.00 H new ATOM 1530 N GLU A1016 4.349 23.020 -7.038 1.00 0.00 N ATOM 1531 CA GLU A1016 5.312 22.078 -7.623 1.00 0.00 C ATOM 1532 C GLU A1016 5.294 20.765 -6.858 1.00 0.00 C ATOM 1533 O GLU A1016 5.025 19.691 -7.394 1.00 0.00 O ATOM 1534 CB GLU A1016 6.728 22.672 -7.525 1.00 0.00 C ATOM 1535 CG GLU A1016 7.838 21.628 -7.372 1.00 0.00 C ATOM 1536 CD GLU A1016 8.372 21.143 -8.700 1.00 0.00 C ATOM 1537 OE1 GLU A1016 7.663 20.380 -9.391 1.00 0.00 O ATOM 1538 OE2 GLU A1016 9.500 21.529 -9.066 1.00 0.00 O ATOM 0 H GLU A1016 4.727 23.948 -6.850 1.00 0.00 H new ATOM 0 HA GLU A1016 5.040 21.902 -8.664 1.00 0.00 H new ATOM 0 HB2 GLU A1016 6.923 23.265 -8.418 1.00 0.00 H new ATOM 0 HB3 GLU A1016 6.766 23.353 -6.675 1.00 0.00 H new ATOM 0 HG2 GLU A1016 8.655 22.056 -6.791 1.00 0.00 H new ATOM 0 HG3 GLU A1016 7.456 20.778 -6.807 1.00 0.00 H new ATOM 1545 N TYR A1017 5.596 20.905 -5.597 1.00 0.00 N ATOM 1546 CA TYR A1017 5.728 19.792 -4.697 1.00 0.00 C ATOM 1547 C TYR A1017 4.382 19.142 -4.438 1.00 0.00 C ATOM 1548 O TYR A1017 4.296 17.939 -4.196 1.00 0.00 O ATOM 1549 CB TYR A1017 6.449 20.292 -3.457 1.00 0.00 C ATOM 1550 CG TYR A1017 7.795 20.834 -3.875 1.00 0.00 C ATOM 1551 CD1 TYR A1017 8.839 19.971 -4.186 1.00 0.00 C ATOM 1552 CD2 TYR A1017 8.008 22.201 -4.018 1.00 0.00 C ATOM 1553 CE1 TYR A1017 10.059 20.453 -4.622 1.00 0.00 C ATOM 1554 CE2 TYR A1017 9.230 22.693 -4.445 1.00 0.00 C ATOM 1555 CZ TYR A1017 10.250 21.815 -4.749 1.00 0.00 C ATOM 1556 OH TYR A1017 11.466 22.299 -5.180 1.00 0.00 O ATOM 0 H TYR A1017 5.760 21.811 -5.158 1.00 0.00 H new ATOM 0 HA TYR A1017 6.328 18.989 -5.126 1.00 0.00 H new ATOM 0 HB2 TYR A1017 5.863 21.069 -2.965 1.00 0.00 H new ATOM 0 HB3 TYR A1017 6.573 19.482 -2.738 1.00 0.00 H new ATOM 0 HD1 TYR A1017 8.695 18.905 -4.085 1.00 0.00 H new ATOM 0 HD2 TYR A1017 7.207 22.890 -3.792 1.00 0.00 H new ATOM 0 HE1 TYR A1017 10.859 19.768 -4.862 1.00 0.00 H new ATOM 0 HE2 TYR A1017 9.384 23.758 -4.540 1.00 0.00 H new ATOM 0 HH TYR A1017 11.434 23.278 -5.216 1.00 0.00 H new ATOM 1566 N LYS A1018 3.330 19.933 -4.499 1.00 0.00 N ATOM 1567 CA LYS A1018 1.986 19.391 -4.589 1.00 0.00 C ATOM 1568 C LYS A1018 1.830 18.493 -5.823 1.00 0.00 C ATOM 1569 O LYS A1018 1.332 17.375 -5.709 1.00 0.00 O ATOM 1570 CB LYS A1018 0.963 20.528 -4.628 1.00 0.00 C ATOM 1571 CG LYS A1018 -0.481 20.072 -4.511 1.00 0.00 C ATOM 1572 CD LYS A1018 -1.418 21.261 -4.405 1.00 0.00 C ATOM 1573 CE LYS A1018 -2.846 20.830 -4.108 1.00 0.00 C ATOM 1574 NZ LYS A1018 -3.722 21.986 -3.776 1.00 0.00 N ATOM 0 H LYS A1018 3.378 20.952 -4.488 1.00 0.00 H new ATOM 0 HA LYS A1018 1.807 18.779 -3.705 1.00 0.00 H new ATOM 0 HB2 LYS A1018 1.179 21.224 -3.817 1.00 0.00 H new ATOM 0 HB3 LYS A1018 1.084 21.078 -5.561 1.00 0.00 H new ATOM 0 HG2 LYS A1018 -0.748 19.470 -5.380 1.00 0.00 H new ATOM 0 HG3 LYS A1018 -0.595 19.435 -3.634 1.00 0.00 H new ATOM 0 HD2 LYS A1018 -1.069 21.930 -3.618 1.00 0.00 H new ATOM 0 HD3 LYS A1018 -1.395 21.826 -5.337 1.00 0.00 H new ATOM 0 HE2 LYS A1018 -3.253 20.304 -4.972 1.00 0.00 H new ATOM 0 HE3 LYS A1018 -2.846 20.125 -3.277 1.00 0.00 H new ATOM 0 HZ1 LYS A1018 -4.683 21.807 -4.131 1.00 0.00 H new ATOM 0 HZ2 LYS A1018 -3.752 22.113 -2.744 1.00 0.00 H new ATOM 0 HZ3 LYS A1018 -3.344 22.847 -4.220 1.00 0.00 H new ATOM 1588 N LYS A1019 2.296 18.964 -6.981 1.00 0.00 N ATOM 1589 CA LYS A1019 2.048 18.267 -8.250 1.00 0.00 C ATOM 1590 C LYS A1019 2.942 17.042 -8.415 1.00 0.00 C ATOM 1591 O LYS A1019 2.459 15.914 -8.537 1.00 0.00 O ATOM 1592 CB LYS A1019 2.290 19.210 -9.434 1.00 0.00 C ATOM 1593 CG LYS A1019 1.194 20.241 -9.664 1.00 0.00 C ATOM 1594 CD LYS A1019 -0.093 19.591 -10.144 1.00 0.00 C ATOM 1595 CE LYS A1019 -1.025 20.603 -10.790 1.00 0.00 C ATOM 1596 NZ LYS A1019 -0.466 21.137 -12.064 1.00 0.00 N ATOM 0 H LYS A1019 2.844 19.820 -7.069 1.00 0.00 H new ATOM 0 HA LYS A1019 1.008 17.940 -8.231 1.00 0.00 H new ATOM 0 HB2 LYS A1019 3.234 19.733 -9.277 1.00 0.00 H new ATOM 0 HB3 LYS A1019 2.403 18.613 -10.339 1.00 0.00 H new ATOM 0 HG2 LYS A1019 1.005 20.784 -8.738 1.00 0.00 H new ATOM 0 HG3 LYS A1019 1.530 20.972 -10.400 1.00 0.00 H new ATOM 0 HD2 LYS A1019 0.142 18.803 -10.860 1.00 0.00 H new ATOM 0 HD3 LYS A1019 -0.597 19.117 -9.302 1.00 0.00 H new ATOM 0 HE2 LYS A1019 -1.990 20.136 -10.985 1.00 0.00 H new ATOM 0 HE3 LYS A1019 -1.203 21.426 -10.098 1.00 0.00 H new ATOM 0 HZ1 LYS A1019 -1.233 21.543 -12.637 1.00 0.00 H new ATOM 0 HZ2 LYS A1019 0.236 21.875 -11.853 1.00 0.00 H new ATOM 0 HZ3 LYS A1019 -0.010 20.366 -12.593 1.00 0.00 H new ATOM 1610 N GLN A1020 4.248 17.268 -8.401 1.00 0.00 N ATOM 1611 CA GLN A1020 5.213 16.202 -8.629 1.00 0.00 C ATOM 1612 C GLN A1020 5.039 15.079 -7.621 1.00 0.00 C ATOM 1613 O GLN A1020 4.999 13.902 -7.982 1.00 0.00 O ATOM 1614 CB GLN A1020 6.638 16.745 -8.560 1.00 0.00 C ATOM 1615 CG GLN A1020 7.696 15.684 -8.807 1.00 0.00 C ATOM 1616 CD GLN A1020 9.108 16.224 -8.731 1.00 0.00 C ATOM 1617 OE1 GLN A1020 9.308 17.266 -7.939 1.00 0.00 O flip ATOM 1618 NE2 GLN A1020 10.013 15.710 -9.387 1.00 0.00 N flip ATOM 0 H GLN A1020 4.665 18.184 -8.233 1.00 0.00 H new ATOM 0 HA GLN A1020 5.033 15.800 -9.626 1.00 0.00 H new ATOM 0 HB2 GLN A1020 6.752 17.541 -9.296 1.00 0.00 H new ATOM 0 HB3 GLN A1020 6.803 17.191 -7.579 1.00 0.00 H new ATOM 0 HG2 GLN A1020 7.579 14.885 -8.074 1.00 0.00 H new ATOM 0 HG3 GLN A1020 7.535 15.241 -9.790 1.00 0.00 H new ATOM 0 HE21 GLN A1020 9.817 14.908 -9.986 1.00 0.00 H new ATOM 0 HE22 GLN A1020 10.960 16.086 -9.332 1.00 0.00 H new ATOM 1627 N MET A1021 4.907 15.445 -6.359 1.00 0.00 N ATOM 1628 CA MET A1021 4.795 14.458 -5.303 1.00 0.00 C ATOM 1629 C MET A1021 3.416 13.808 -5.295 1.00 0.00 C ATOM 1630 O MET A1021 3.229 12.755 -4.697 1.00 0.00 O ATOM 1631 CB MET A1021 5.124 15.069 -3.944 1.00 0.00 C ATOM 1632 CG MET A1021 6.588 15.457 -3.773 1.00 0.00 C ATOM 1633 SD MET A1021 7.709 14.039 -3.789 1.00 0.00 S ATOM 1634 CE MET A1021 7.865 13.701 -5.541 1.00 0.00 C ATOM 0 H MET A1021 4.875 16.414 -6.042 1.00 0.00 H new ATOM 0 HA MET A1021 5.526 13.675 -5.503 1.00 0.00 H new ATOM 0 HB2 MET A1021 4.505 15.954 -3.796 1.00 0.00 H new ATOM 0 HB3 MET A1021 4.854 14.358 -3.163 1.00 0.00 H new ATOM 0 HG2 MET A1021 6.870 16.144 -4.571 1.00 0.00 H new ATOM 0 HG3 MET A1021 6.707 15.995 -2.832 1.00 0.00 H new ATOM 0 HE1 MET A1021 7.327 12.785 -5.784 1.00 0.00 H new ATOM 0 HE2 MET A1021 7.445 14.530 -6.110 1.00 0.00 H new ATOM 0 HE3 MET A1021 8.918 13.582 -5.796 1.00 0.00 H new ATOM 1644 N LEU A1022 2.439 14.436 -5.946 1.00 0.00 N ATOM 1645 CA LEU A1022 1.126 13.814 -6.089 1.00 0.00 C ATOM 1646 C LEU A1022 1.226 12.644 -7.061 1.00 0.00 C ATOM 1647 O LEU A1022 0.509 11.654 -6.936 1.00 0.00 O ATOM 1648 CB LEU A1022 0.074 14.815 -6.575 1.00 0.00 C ATOM 1649 CG LEU A1022 -1.367 14.293 -6.584 1.00 0.00 C ATOM 1650 CD1 LEU A1022 -1.788 13.866 -5.185 1.00 0.00 C ATOM 1651 CD2 LEU A1022 -2.316 15.352 -7.127 1.00 0.00 C ATOM 0 H LEU A1022 2.528 15.357 -6.375 1.00 0.00 H new ATOM 0 HA LEU A1022 0.808 13.457 -5.109 1.00 0.00 H new ATOM 0 HB2 LEU A1022 0.119 15.701 -5.942 1.00 0.00 H new ATOM 0 HB3 LEU A1022 0.335 15.131 -7.585 1.00 0.00 H new ATOM 0 HG LEU A1022 -1.413 13.423 -7.238 1.00 0.00 H new ATOM 0 HD11 LEU A1022 -2.814 13.498 -5.210 1.00 0.00 H new ATOM 0 HD12 LEU A1022 -1.127 13.074 -4.832 1.00 0.00 H new ATOM 0 HD13 LEU A1022 -1.725 14.719 -4.510 1.00 0.00 H new ATOM 0 HD21 LEU A1022 -3.334 14.963 -7.126 1.00 0.00 H new ATOM 0 HD22 LEU A1022 -2.266 16.241 -6.499 1.00 0.00 H new ATOM 0 HD23 LEU A1022 -2.028 15.611 -8.146 1.00 0.00 H new ATOM 1663 N THR A1023 2.136 12.761 -8.020 1.00 0.00 N ATOM 1664 CA THR A1023 2.432 11.667 -8.928 1.00 0.00 C ATOM 1665 C THR A1023 3.051 10.506 -8.150 1.00 0.00 C ATOM 1666 O THR A1023 2.751 9.337 -8.404 1.00 0.00 O ATOM 1667 CB THR A1023 3.391 12.126 -10.045 1.00 0.00 C ATOM 1668 OG1 THR A1023 2.895 13.332 -10.644 1.00 0.00 O ATOM 1669 CG2 THR A1023 3.547 11.049 -11.113 1.00 0.00 C ATOM 0 H THR A1023 2.682 13.606 -8.187 1.00 0.00 H new ATOM 0 HA THR A1023 1.502 11.338 -9.391 1.00 0.00 H new ATOM 0 HB THR A1023 4.369 12.311 -9.600 1.00 0.00 H new ATOM 0 HG1 THR A1023 3.508 13.622 -11.352 1.00 0.00 H new ATOM 0 HG21 THR A1023 4.229 11.401 -11.887 1.00 0.00 H new ATOM 0 HG22 THR A1023 3.949 10.143 -10.660 1.00 0.00 H new ATOM 0 HG23 THR A1023 2.575 10.833 -11.556 1.00 0.00 H new ATOM 1677 N ALA A1024 3.900 10.844 -7.184 1.00 0.00 N ATOM 1678 CA ALA A1024 4.473 9.851 -6.283 1.00 0.00 C ATOM 1679 C ALA A1024 3.390 9.262 -5.385 1.00 0.00 C ATOM 1680 O ALA A1024 3.402 8.076 -5.076 1.00 0.00 O ATOM 1681 CB ALA A1024 5.581 10.467 -5.440 1.00 0.00 C ATOM 0 H ALA A1024 4.207 11.800 -7.005 1.00 0.00 H new ATOM 0 HA ALA A1024 4.903 9.050 -6.884 1.00 0.00 H new ATOM 0 HB1 ALA A1024 5.995 9.710 -4.774 1.00 0.00 H new ATOM 0 HB2 ALA A1024 6.367 10.846 -6.093 1.00 0.00 H new ATOM 0 HB3 ALA A1024 5.175 11.287 -4.848 1.00 0.00 H new ATOM 1687 N ALA A1025 2.446 10.105 -4.982 1.00 0.00 N ATOM 1688 CA ALA A1025 1.316 9.674 -4.167 1.00 0.00 C ATOM 1689 C ALA A1025 0.446 8.684 -4.927 1.00 0.00 C ATOM 1690 O ALA A1025 -0.128 7.762 -4.345 1.00 0.00 O ATOM 1691 CB ALA A1025 0.498 10.875 -3.733 1.00 0.00 C ATOM 0 H ALA A1025 2.442 11.099 -5.209 1.00 0.00 H new ATOM 0 HA ALA A1025 1.702 9.172 -3.280 1.00 0.00 H new ATOM 0 HB1 ALA A1025 -0.343 10.542 -3.125 1.00 0.00 H new ATOM 0 HB2 ALA A1025 1.124 11.549 -3.148 1.00 0.00 H new ATOM 0 HB3 ALA A1025 0.125 11.398 -4.613 1.00 0.00 H new ATOM 1697 N HIS A1026 0.343 8.892 -6.230 1.00 0.00 N ATOM 1698 CA HIS A1026 -0.359 7.961 -7.095 1.00 0.00 C ATOM 1699 C HIS A1026 0.420 6.653 -7.183 1.00 0.00 C ATOM 1700 O HIS A1026 -0.168 5.583 -7.317 1.00 0.00 O ATOM 1701 CB HIS A1026 -0.558 8.567 -8.492 1.00 0.00 C ATOM 1702 CG HIS A1026 -1.230 7.652 -9.474 1.00 0.00 C ATOM 1703 ND1 HIS A1026 -0.579 7.116 -10.563 1.00 0.00 N ATOM 1704 CD2 HIS A1026 -2.502 7.191 -9.537 1.00 0.00 C ATOM 1705 CE1 HIS A1026 -1.419 6.370 -11.255 1.00 0.00 C ATOM 1706 NE2 HIS A1026 -2.593 6.396 -10.653 1.00 0.00 N ATOM 0 H HIS A1026 0.738 9.700 -6.711 1.00 0.00 H new ATOM 0 HA HIS A1026 -1.343 7.758 -6.672 1.00 0.00 H new ATOM 0 HB2 HIS A1026 -1.149 9.478 -8.399 1.00 0.00 H new ATOM 0 HB3 HIS A1026 0.414 8.857 -8.891 1.00 0.00 H new ATOM 0 HD2 HIS A1026 -3.297 7.408 -8.839 1.00 0.00 H new ATOM 0 HE1 HIS A1026 -1.185 5.830 -12.161 1.00 0.00 H new ATOM 0 HE2 HIS A1026 -3.431 5.906 -10.966 1.00 0.00 H new ATOM 1715 N ALA A1027 1.743 6.749 -7.082 1.00 0.00 N ATOM 1716 CA ALA A1027 2.606 5.578 -7.154 1.00 0.00 C ATOM 1717 C ALA A1027 2.295 4.602 -6.025 1.00 0.00 C ATOM 1718 O ALA A1027 1.995 3.444 -6.288 1.00 0.00 O ATOM 1719 CB ALA A1027 4.073 5.982 -7.134 1.00 0.00 C ATOM 0 H ALA A1027 2.240 7.630 -6.950 1.00 0.00 H new ATOM 0 HA ALA A1027 2.409 5.073 -8.099 1.00 0.00 H new ATOM 0 HB1 ALA A1027 4.697 5.090 -7.189 1.00 0.00 H new ATOM 0 HB2 ALA A1027 4.285 6.626 -7.988 1.00 0.00 H new ATOM 0 HB3 ALA A1027 4.290 6.520 -6.211 1.00 0.00 H new ATOM 1725 N LEU A1028 2.328 5.080 -4.777 1.00 0.00 N ATOM 1726 CA LEU A1028 2.032 4.215 -3.631 1.00 0.00 C ATOM 1727 C LEU A1028 0.659 3.569 -3.773 1.00 0.00 C ATOM 1728 O LEU A1028 0.518 2.367 -3.587 1.00 0.00 O ATOM 1729 CB LEU A1028 2.157 4.971 -2.287 1.00 0.00 C ATOM 1730 CG LEU A1028 1.355 4.381 -1.111 1.00 0.00 C ATOM 1731 CD1 LEU A1028 2.081 4.621 0.199 1.00 0.00 C ATOM 1732 CD2 LEU A1028 -0.040 4.990 -1.033 1.00 0.00 C ATOM 0 H LEU A1028 2.553 6.045 -4.537 1.00 0.00 H new ATOM 0 HA LEU A1028 2.780 3.422 -3.624 1.00 0.00 H new ATOM 0 HB2 LEU A1028 3.210 5.002 -2.005 1.00 0.00 H new ATOM 0 HB3 LEU A1028 1.837 6.002 -2.440 1.00 0.00 H new ATOM 0 HG LEU A1028 1.259 3.309 -1.284 1.00 0.00 H new ATOM 0 HD11 LEU A1028 1.501 4.198 1.019 1.00 0.00 H new ATOM 0 HD12 LEU A1028 3.061 4.145 0.164 1.00 0.00 H new ATOM 0 HD13 LEU A1028 2.203 5.693 0.356 1.00 0.00 H new ATOM 0 HD21 LEU A1028 -0.581 4.554 -0.193 1.00 0.00 H new ATOM 0 HD22 LEU A1028 0.041 6.068 -0.892 1.00 0.00 H new ATOM 0 HD23 LEU A1028 -0.579 4.785 -1.958 1.00 0.00 H new ATOM 1744 N ALA A1029 -0.355 4.367 -4.094 1.00 0.00 N ATOM 1745 CA ALA A1029 -1.696 3.834 -4.332 1.00 0.00 C ATOM 1746 C ALA A1029 -1.701 2.725 -5.389 1.00 0.00 C ATOM 1747 O ALA A1029 -2.491 1.782 -5.305 1.00 0.00 O ATOM 1748 CB ALA A1029 -2.636 4.957 -4.746 1.00 0.00 C ATOM 0 H ALA A1029 -0.277 5.379 -4.195 1.00 0.00 H new ATOM 0 HA ALA A1029 -2.042 3.392 -3.398 1.00 0.00 H new ATOM 0 HB1 ALA A1029 -3.632 4.551 -4.921 1.00 0.00 H new ATOM 0 HB2 ALA A1029 -2.682 5.704 -3.953 1.00 0.00 H new ATOM 0 HB3 ALA A1029 -2.267 5.422 -5.661 1.00 0.00 H new ATOM 1754 N VAL A1030 -0.818 2.828 -6.369 1.00 0.00 N ATOM 1755 CA VAL A1030 -0.741 1.823 -7.418 1.00 0.00 C ATOM 1756 C VAL A1030 0.116 0.643 -6.982 1.00 0.00 C ATOM 1757 O VAL A1030 -0.178 -0.507 -7.305 1.00 0.00 O ATOM 1758 CB VAL A1030 -0.212 2.413 -8.745 1.00 0.00 C ATOM 1759 CG1 VAL A1030 -0.020 1.329 -9.792 1.00 0.00 C ATOM 1760 CG2 VAL A1030 -1.171 3.469 -9.267 1.00 0.00 C ATOM 0 H VAL A1030 -0.148 3.592 -6.461 1.00 0.00 H new ATOM 0 HA VAL A1030 -1.756 1.469 -7.595 1.00 0.00 H new ATOM 0 HB VAL A1030 0.757 2.871 -8.546 1.00 0.00 H new ATOM 0 HG11 VAL A1030 0.353 1.775 -10.714 1.00 0.00 H new ATOM 0 HG12 VAL A1030 0.699 0.595 -9.428 1.00 0.00 H new ATOM 0 HG13 VAL A1030 -0.974 0.838 -9.986 1.00 0.00 H new ATOM 0 HG21 VAL A1030 -0.788 3.878 -10.202 1.00 0.00 H new ATOM 0 HG22 VAL A1030 -2.148 3.019 -9.441 1.00 0.00 H new ATOM 0 HG23 VAL A1030 -1.266 4.269 -8.533 1.00 0.00 H new ATOM 1770 N ASP A1031 1.188 0.932 -6.276 1.00 0.00 N ATOM 1771 CA ASP A1031 2.056 -0.113 -5.771 1.00 0.00 C ATOM 1772 C ASP A1031 1.416 -0.878 -4.608 1.00 0.00 C ATOM 1773 O ASP A1031 1.701 -2.066 -4.425 1.00 0.00 O ATOM 1774 CB ASP A1031 3.426 0.455 -5.424 1.00 0.00 C ATOM 1775 CG ASP A1031 4.158 0.917 -6.678 1.00 0.00 C ATOM 1776 OD1 ASP A1031 4.294 0.110 -7.626 1.00 0.00 O ATOM 1777 OD2 ASP A1031 4.576 2.091 -6.746 1.00 0.00 O ATOM 0 H ASP A1031 1.480 1.880 -6.038 1.00 0.00 H new ATOM 0 HA ASP A1031 2.201 -0.849 -6.562 1.00 0.00 H new ATOM 0 HB2 ASP A1031 3.313 1.292 -4.735 1.00 0.00 H new ATOM 0 HB3 ASP A1031 4.018 -0.302 -4.911 1.00 0.00 H new ATOM 1782 N ALA A1032 0.545 -0.228 -3.823 1.00 0.00 N ATOM 1783 CA ALA A1032 -0.390 -0.960 -2.973 1.00 0.00 C ATOM 1784 C ALA A1032 -1.154 -1.973 -3.817 1.00 0.00 C ATOM 1785 O ALA A1032 -1.159 -3.159 -3.518 1.00 0.00 O ATOM 1786 CB ALA A1032 -1.365 0.005 -2.316 1.00 0.00 C ATOM 0 H ALA A1032 0.472 0.788 -3.762 1.00 0.00 H new ATOM 0 HA ALA A1032 0.166 -1.481 -2.194 1.00 0.00 H new ATOM 0 HB1 ALA A1032 -2.058 -0.551 -1.684 1.00 0.00 H new ATOM 0 HB2 ALA A1032 -0.813 0.721 -1.707 1.00 0.00 H new ATOM 0 HB3 ALA A1032 -1.924 0.538 -3.085 1.00 0.00 H new ATOM 1792 N LYS A1033 -1.796 -1.487 -4.876 1.00 0.00 N ATOM 1793 CA LYS A1033 -2.446 -2.355 -5.864 1.00 0.00 C ATOM 1794 C LYS A1033 -1.505 -3.444 -6.412 1.00 0.00 C ATOM 1795 O LYS A1033 -1.958 -4.535 -6.775 1.00 0.00 O ATOM 1796 CB LYS A1033 -3.035 -1.504 -7.002 1.00 0.00 C ATOM 1797 CG LYS A1033 -3.748 -2.302 -8.090 1.00 0.00 C ATOM 1798 CD LYS A1033 -2.819 -2.633 -9.250 1.00 0.00 C ATOM 1799 CE LYS A1033 -2.378 -1.377 -9.984 1.00 0.00 C ATOM 1800 NZ LYS A1033 -3.484 -0.760 -10.763 1.00 0.00 N ATOM 0 H LYS A1033 -1.882 -0.491 -5.076 1.00 0.00 H new ATOM 0 HA LYS A1033 -3.254 -2.882 -5.356 1.00 0.00 H new ATOM 0 HB2 LYS A1033 -3.738 -0.788 -6.576 1.00 0.00 H new ATOM 0 HB3 LYS A1033 -2.231 -0.928 -7.460 1.00 0.00 H new ATOM 0 HG2 LYS A1033 -4.141 -3.225 -7.665 1.00 0.00 H new ATOM 0 HG3 LYS A1033 -4.601 -1.732 -8.459 1.00 0.00 H new ATOM 0 HD2 LYS A1033 -1.944 -3.164 -8.877 1.00 0.00 H new ATOM 0 HD3 LYS A1033 -3.326 -3.303 -9.944 1.00 0.00 H new ATOM 0 HE2 LYS A1033 -1.996 -0.653 -9.264 1.00 0.00 H new ATOM 0 HE3 LYS A1033 -1.556 -1.622 -10.656 1.00 0.00 H new ATOM 0 HZ1 LYS A1033 -3.110 0.021 -11.338 1.00 0.00 H new ATOM 0 HZ2 LYS A1033 -3.911 -1.475 -11.386 1.00 0.00 H new ATOM 0 HZ3 LYS A1033 -4.206 -0.394 -10.110 1.00 0.00 H new ATOM 1814 N ASN A1034 -0.201 -3.182 -6.465 1.00 0.00 N ATOM 1815 CA ASN A1034 0.727 -4.210 -6.919 1.00 0.00 C ATOM 1816 C ASN A1034 0.774 -5.333 -5.889 1.00 0.00 C ATOM 1817 O ASN A1034 0.642 -6.507 -6.226 1.00 0.00 O ATOM 1818 CB ASN A1034 2.125 -3.635 -7.154 1.00 0.00 C ATOM 1819 CG ASN A1034 3.070 -4.646 -7.780 1.00 0.00 C ATOM 1820 OD1 ASN A1034 4.353 -4.508 -7.503 1.00 0.00 O flip ATOM 1821 ND2 ASN A1034 2.649 -5.537 -8.518 1.00 0.00 N flip ATOM 0 H ASN A1034 0.226 -2.293 -6.207 1.00 0.00 H new ATOM 0 HA ASN A1034 0.375 -4.604 -7.872 1.00 0.00 H new ATOM 0 HB2 ASN A1034 2.051 -2.761 -7.802 1.00 0.00 H new ATOM 0 HB3 ASN A1034 2.539 -3.294 -6.205 1.00 0.00 H new ATOM 0 HD21 ASN A1034 1.650 -5.612 -8.709 1.00 0.00 H new ATOM 0 HD22 ASN A1034 3.299 -6.201 -8.939 1.00 0.00 H new ATOM 1828 N LEU A1035 0.932 -4.957 -4.623 1.00 0.00 N ATOM 1829 CA LEU A1035 0.879 -5.925 -3.531 1.00 0.00 C ATOM 1830 C LEU A1035 -0.520 -6.544 -3.451 1.00 0.00 C ATOM 1831 O LEU A1035 -0.655 -7.699 -3.103 1.00 0.00 O ATOM 1832 CB LEU A1035 1.241 -5.274 -2.188 1.00 0.00 C ATOM 1833 CG LEU A1035 1.449 -6.262 -1.034 1.00 0.00 C ATOM 1834 CD1 LEU A1035 2.862 -6.817 -1.054 1.00 0.00 C ATOM 1835 CD2 LEU A1035 1.154 -5.611 0.304 1.00 0.00 C ATOM 0 H LEU A1035 1.097 -3.994 -4.329 1.00 0.00 H new ATOM 0 HA LEU A1035 1.612 -6.705 -3.735 1.00 0.00 H new ATOM 0 HB2 LEU A1035 2.152 -4.689 -2.317 1.00 0.00 H new ATOM 0 HB3 LEU A1035 0.450 -4.576 -1.913 1.00 0.00 H new ATOM 0 HG LEU A1035 0.749 -7.087 -1.169 1.00 0.00 H new ATOM 0 HD11 LEU A1035 2.990 -7.516 -0.228 1.00 0.00 H new ATOM 0 HD12 LEU A1035 3.036 -7.334 -1.997 1.00 0.00 H new ATOM 0 HD13 LEU A1035 3.576 -5.999 -0.951 1.00 0.00 H new ATOM 0 HD21 LEU A1035 1.310 -6.335 1.103 1.00 0.00 H new ATOM 0 HD22 LEU A1035 1.820 -4.761 0.450 1.00 0.00 H new ATOM 0 HD23 LEU A1035 0.119 -5.268 0.322 1.00 0.00 H new ATOM 1847 N LEU A1036 -1.543 -5.758 -3.799 1.00 0.00 N ATOM 1848 CA LEU A1036 -2.936 -6.225 -3.913 1.00 0.00 C ATOM 1849 C LEU A1036 -2.985 -7.500 -4.738 1.00 0.00 C ATOM 1850 O LEU A1036 -3.775 -8.395 -4.474 1.00 0.00 O ATOM 1851 CB LEU A1036 -3.791 -5.101 -4.550 1.00 0.00 C ATOM 1852 CG LEU A1036 -5.293 -5.353 -4.792 1.00 0.00 C ATOM 1853 CD1 LEU A1036 -5.528 -6.211 -6.025 1.00 0.00 C ATOM 1854 CD2 LEU A1036 -5.946 -5.978 -3.577 1.00 0.00 C ATOM 0 H LEU A1036 -1.430 -4.767 -4.013 1.00 0.00 H new ATOM 0 HA LEU A1036 -3.342 -6.453 -2.928 1.00 0.00 H new ATOM 0 HB2 LEU A1036 -3.703 -4.220 -3.915 1.00 0.00 H new ATOM 0 HB3 LEU A1036 -3.341 -4.848 -5.510 1.00 0.00 H new ATOM 0 HG LEU A1036 -5.756 -4.382 -4.969 1.00 0.00 H new ATOM 0 HD11 LEU A1036 -6.598 -6.366 -6.162 1.00 0.00 H new ATOM 0 HD12 LEU A1036 -5.119 -5.708 -6.901 1.00 0.00 H new ATOM 0 HD13 LEU A1036 -5.035 -7.175 -5.897 1.00 0.00 H new ATOM 0 HD21 LEU A1036 -7.004 -6.144 -3.778 1.00 0.00 H new ATOM 0 HD22 LEU A1036 -5.465 -6.931 -3.355 1.00 0.00 H new ATOM 0 HD23 LEU A1036 -5.839 -5.310 -2.722 1.00 0.00 H new ATOM 1866 N ASP A1037 -2.071 -7.586 -5.683 1.00 0.00 N ATOM 1867 CA ASP A1037 -1.942 -8.754 -6.541 1.00 0.00 C ATOM 1868 C ASP A1037 -0.929 -9.708 -5.923 1.00 0.00 C ATOM 1869 O ASP A1037 -1.087 -10.912 -5.976 1.00 0.00 O ATOM 1870 CB ASP A1037 -1.490 -8.354 -7.950 1.00 0.00 C ATOM 1871 CG ASP A1037 -1.511 -9.519 -8.925 1.00 0.00 C ATOM 1872 OD1 ASP A1037 -2.591 -9.807 -9.484 1.00 0.00 O ATOM 1873 OD2 ASP A1037 -0.453 -10.136 -9.159 1.00 0.00 O ATOM 0 H ASP A1037 -1.394 -6.849 -5.881 1.00 0.00 H new ATOM 0 HA ASP A1037 -2.913 -9.241 -6.626 1.00 0.00 H new ATOM 0 HB2 ASP A1037 -2.138 -7.561 -8.324 1.00 0.00 H new ATOM 0 HB3 ASP A1037 -0.481 -7.945 -7.901 1.00 0.00 H new ATOM 1878 N VAL A1038 0.096 -9.130 -5.309 1.00 0.00 N ATOM 1879 CA VAL A1038 1.145 -9.878 -4.609 1.00 0.00 C ATOM 1880 C VAL A1038 0.577 -10.799 -3.534 1.00 0.00 C ATOM 1881 O VAL A1038 0.763 -12.005 -3.575 1.00 0.00 O ATOM 1882 CB VAL A1038 2.127 -8.912 -3.923 1.00 0.00 C ATOM 1883 CG1 VAL A1038 3.005 -9.640 -2.919 1.00 0.00 C ATOM 1884 CG2 VAL A1038 2.974 -8.182 -4.947 1.00 0.00 C ATOM 0 H VAL A1038 0.228 -8.119 -5.280 1.00 0.00 H new ATOM 0 HA VAL A1038 1.650 -10.478 -5.366 1.00 0.00 H new ATOM 0 HB VAL A1038 1.538 -8.173 -3.379 1.00 0.00 H new ATOM 0 HG11 VAL A1038 3.688 -8.931 -2.451 1.00 0.00 H new ATOM 0 HG12 VAL A1038 2.379 -10.099 -2.154 1.00 0.00 H new ATOM 0 HG13 VAL A1038 3.579 -10.413 -3.431 1.00 0.00 H new ATOM 0 HG21 VAL A1038 3.660 -7.506 -4.436 1.00 0.00 H new ATOM 0 HG22 VAL A1038 3.545 -8.905 -5.529 1.00 0.00 H new ATOM 0 HG23 VAL A1038 2.328 -7.609 -5.612 1.00 0.00 H new ATOM 1894 N ILE A1039 -0.067 -10.199 -2.552 1.00 0.00 N ATOM 1895 CA ILE A1039 -0.639 -10.931 -1.435 1.00 0.00 C ATOM 1896 C ILE A1039 -1.933 -11.649 -1.825 1.00 0.00 C ATOM 1897 O ILE A1039 -2.241 -12.694 -1.268 1.00 0.00 O ATOM 1898 CB ILE A1039 -0.840 -10.054 -0.169 1.00 0.00 C ATOM 1899 CG1 ILE A1039 -1.330 -8.644 -0.502 1.00 0.00 C ATOM 1900 CG2 ILE A1039 0.461 -9.972 0.612 1.00 0.00 C ATOM 1901 CD1 ILE A1039 -2.674 -8.597 -1.179 1.00 0.00 C ATOM 0 H ILE A1039 -0.209 -9.190 -2.505 1.00 0.00 H new ATOM 0 HA ILE A1039 0.097 -11.690 -1.171 1.00 0.00 H new ATOM 0 HB ILE A1039 -1.613 -10.532 0.434 1.00 0.00 H new ATOM 0 HG12 ILE A1039 -1.380 -8.063 0.419 1.00 0.00 H new ATOM 0 HG13 ILE A1039 -0.595 -8.160 -1.145 1.00 0.00 H new ATOM 0 HG21 ILE A1039 0.315 -9.356 1.499 1.00 0.00 H new ATOM 0 HG22 ILE A1039 0.769 -10.974 0.913 1.00 0.00 H new ATOM 0 HG23 ILE A1039 1.234 -9.528 -0.015 1.00 0.00 H new ATOM 0 HD11 ILE A1039 -2.945 -7.560 -1.379 1.00 0.00 H new ATOM 0 HD12 ILE A1039 -2.628 -9.148 -2.119 1.00 0.00 H new ATOM 0 HD13 ILE A1039 -3.424 -9.049 -0.530 1.00 0.00 H new ATOM 1913 N ASP A1040 -2.731 -11.085 -2.730 1.00 0.00 N ATOM 1914 CA ASP A1040 -3.743 -11.909 -3.389 1.00 0.00 C ATOM 1915 C ASP A1040 -3.099 -13.129 -4.034 1.00 0.00 C ATOM 1916 O ASP A1040 -3.688 -14.202 -4.104 1.00 0.00 O ATOM 1917 CB ASP A1040 -4.534 -11.130 -4.434 1.00 0.00 C ATOM 1918 CG ASP A1040 -5.573 -11.992 -5.124 1.00 0.00 C ATOM 1919 OD1 ASP A1040 -6.366 -12.649 -4.417 1.00 0.00 O ATOM 1920 OD2 ASP A1040 -5.610 -12.005 -6.372 1.00 0.00 O ATOM 0 H ASP A1040 -2.702 -10.106 -3.015 1.00 0.00 H new ATOM 0 HA ASP A1040 -4.442 -12.230 -2.617 1.00 0.00 H new ATOM 0 HB2 ASP A1040 -5.026 -10.282 -3.957 1.00 0.00 H new ATOM 0 HB3 ASP A1040 -3.849 -10.724 -5.178 1.00 0.00 H new ATOM 1925 N GLN A1041 -1.869 -12.989 -4.480 1.00 0.00 N ATOM 1926 CA GLN A1041 -1.152 -14.158 -4.933 1.00 0.00 C ATOM 1927 C GLN A1041 -0.672 -14.916 -3.722 1.00 0.00 C ATOM 1928 O GLN A1041 -0.647 -16.121 -3.750 1.00 0.00 O ATOM 1929 CB GLN A1041 0.029 -13.850 -5.855 1.00 0.00 C ATOM 1930 CG GLN A1041 -0.371 -13.413 -7.254 1.00 0.00 C ATOM 1931 CD GLN A1041 0.766 -13.532 -8.246 1.00 0.00 C ATOM 1932 OE1 GLN A1041 1.601 -14.437 -8.150 1.00 0.00 O ATOM 1933 NE2 GLN A1041 0.819 -12.614 -9.197 1.00 0.00 N ATOM 0 H GLN A1041 -1.359 -12.107 -4.538 1.00 0.00 H new ATOM 0 HA GLN A1041 -1.844 -14.750 -5.532 1.00 0.00 H new ATOM 0 HB2 GLN A1041 0.635 -13.066 -5.401 1.00 0.00 H new ATOM 0 HB3 GLN A1041 0.658 -14.737 -5.929 1.00 0.00 H new ATOM 0 HG2 GLN A1041 -1.211 -14.019 -7.594 1.00 0.00 H new ATOM 0 HG3 GLN A1041 -0.716 -12.379 -7.224 1.00 0.00 H new ATOM 0 HE21 GLN A1041 0.109 -11.883 -9.241 1.00 0.00 H new ATOM 0 HE22 GLN A1041 1.570 -12.637 -9.887 1.00 0.00 H new ATOM 1942 N ALA A1042 -0.329 -14.194 -2.650 1.00 0.00 N ATOM 1943 CA ALA A1042 0.111 -14.803 -1.401 1.00 0.00 C ATOM 1944 C ALA A1042 -0.918 -15.800 -0.899 1.00 0.00 C ATOM 1945 O ALA A1042 -0.599 -16.948 -0.602 1.00 0.00 O ATOM 1946 CB ALA A1042 0.345 -13.748 -0.334 1.00 0.00 C ATOM 0 H ALA A1042 -0.350 -13.174 -2.629 1.00 0.00 H new ATOM 0 HA ALA A1042 1.049 -15.321 -1.601 1.00 0.00 H new ATOM 0 HB1 ALA A1042 0.673 -14.229 0.588 1.00 0.00 H new ATOM 0 HB2 ALA A1042 1.112 -13.052 -0.673 1.00 0.00 H new ATOM 0 HB3 ALA A1042 -0.582 -13.205 -0.150 1.00 0.00 H new ATOM 1952 N ARG A1043 -2.149 -15.329 -0.790 1.00 0.00 N ATOM 1953 CA ARG A1043 -3.294 -16.177 -0.488 1.00 0.00 C ATOM 1954 C ARG A1043 -3.297 -17.447 -1.357 1.00 0.00 C ATOM 1955 O ARG A1043 -3.542 -18.546 -0.858 1.00 0.00 O ATOM 1956 CB ARG A1043 -4.586 -15.336 -0.642 1.00 0.00 C ATOM 1957 CG ARG A1043 -5.722 -15.980 -1.429 1.00 0.00 C ATOM 1958 CD ARG A1043 -5.646 -15.673 -2.909 1.00 0.00 C ATOM 1959 NE ARG A1043 -6.715 -16.302 -3.684 1.00 0.00 N ATOM 1960 CZ ARG A1043 -6.707 -16.385 -5.015 1.00 0.00 C ATOM 1961 NH1 ARG A1043 -5.720 -15.828 -5.711 1.00 0.00 N ATOM 1962 NH2 ARG A1043 -7.710 -16.974 -5.652 1.00 0.00 N ATOM 0 H ARG A1043 -2.385 -14.344 -0.909 1.00 0.00 H new ATOM 0 HA ARG A1043 -3.235 -16.531 0.541 1.00 0.00 H new ATOM 0 HB2 ARG A1043 -4.956 -15.091 0.354 1.00 0.00 H new ATOM 0 HB3 ARG A1043 -4.326 -14.394 -1.126 1.00 0.00 H new ATOM 0 HG2 ARG A1043 -5.695 -17.060 -1.283 1.00 0.00 H new ATOM 0 HG3 ARG A1043 -6.677 -15.629 -1.037 1.00 0.00 H new ATOM 0 HD2 ARG A1043 -5.689 -14.593 -3.052 1.00 0.00 H new ATOM 0 HD3 ARG A1043 -4.682 -16.007 -3.294 1.00 0.00 H new ATOM 0 HE ARG A1043 -7.508 -16.698 -3.180 1.00 0.00 H new ATOM 0 HH11 ARG A1043 -4.968 -15.337 -5.227 1.00 0.00 H new ATOM 0 HH12 ARG A1043 -5.715 -15.892 -6.729 1.00 0.00 H new ATOM 0 HH21 ARG A1043 -8.490 -17.365 -5.124 1.00 0.00 H new ATOM 0 HH22 ARG A1043 -7.701 -17.036 -6.670 1.00 0.00 H new ATOM 1976 N LEU A1044 -2.997 -17.301 -2.645 1.00 0.00 N ATOM 1977 CA LEU A1044 -2.919 -18.453 -3.543 1.00 0.00 C ATOM 1978 C LEU A1044 -1.581 -19.199 -3.385 1.00 0.00 C ATOM 1979 O LEU A1044 -1.506 -20.404 -3.609 1.00 0.00 O ATOM 1980 CB LEU A1044 -3.122 -18.008 -4.992 1.00 0.00 C ATOM 1981 CG LEU A1044 -3.090 -19.127 -6.036 1.00 0.00 C ATOM 1982 CD1 LEU A1044 -4.236 -20.102 -5.812 1.00 0.00 C ATOM 1983 CD2 LEU A1044 -3.148 -18.549 -7.440 1.00 0.00 C ATOM 0 H LEU A1044 -2.805 -16.403 -3.089 1.00 0.00 H new ATOM 0 HA LEU A1044 -3.716 -19.146 -3.273 1.00 0.00 H new ATOM 0 HB2 LEU A1044 -4.081 -17.494 -5.065 1.00 0.00 H new ATOM 0 HB3 LEU A1044 -2.350 -17.280 -5.242 1.00 0.00 H new ATOM 0 HG LEU A1044 -2.152 -19.671 -5.927 1.00 0.00 H new ATOM 0 HD11 LEU A1044 -4.196 -20.890 -6.564 1.00 0.00 H new ATOM 0 HD12 LEU A1044 -4.149 -20.543 -4.819 1.00 0.00 H new ATOM 0 HD13 LEU A1044 -5.185 -19.572 -5.892 1.00 0.00 H new ATOM 0 HD21 LEU A1044 -3.124 -19.360 -8.168 1.00 0.00 H new ATOM 0 HD22 LEU A1044 -4.069 -17.979 -7.561 1.00 0.00 H new ATOM 0 HD23 LEU A1044 -2.292 -17.893 -7.599 1.00 0.00 H new ATOM 1995 N LYS A1045 -0.535 -18.473 -3.003 1.00 0.00 N ATOM 1996 CA LYS A1045 0.783 -19.054 -2.747 1.00 0.00 C ATOM 1997 C LYS A1045 0.672 -20.072 -1.634 1.00 0.00 C ATOM 1998 O LYS A1045 1.237 -21.162 -1.693 1.00 0.00 O ATOM 1999 CB LYS A1045 1.792 -17.986 -2.299 1.00 0.00 C ATOM 2000 CG LYS A1045 2.069 -16.872 -3.288 1.00 0.00 C ATOM 2001 CD LYS A1045 2.491 -17.378 -4.659 1.00 0.00 C ATOM 2002 CE LYS A1045 2.736 -16.213 -5.608 1.00 0.00 C ATOM 2003 NZ LYS A1045 2.987 -16.653 -7.005 1.00 0.00 N ATOM 0 H LYS A1045 -0.575 -17.464 -2.861 1.00 0.00 H new ATOM 0 HA LYS A1045 1.128 -19.510 -3.675 1.00 0.00 H new ATOM 0 HB2 LYS A1045 1.430 -17.540 -1.373 1.00 0.00 H new ATOM 0 HB3 LYS A1045 2.735 -18.481 -2.067 1.00 0.00 H new ATOM 0 HG2 LYS A1045 1.174 -16.258 -3.394 1.00 0.00 H new ATOM 0 HG3 LYS A1045 2.852 -16.227 -2.889 1.00 0.00 H new ATOM 0 HD2 LYS A1045 3.397 -17.977 -4.568 1.00 0.00 H new ATOM 0 HD3 LYS A1045 1.718 -18.029 -5.066 1.00 0.00 H new ATOM 0 HE2 LYS A1045 1.872 -15.548 -5.591 1.00 0.00 H new ATOM 0 HE3 LYS A1045 3.590 -15.635 -5.255 1.00 0.00 H new ATOM 0 HZ1 LYS A1045 2.549 -15.980 -7.665 1.00 0.00 H new ATOM 0 HZ2 LYS A1045 4.012 -16.690 -7.178 1.00 0.00 H new ATOM 0 HZ3 LYS A1045 2.577 -17.597 -7.151 1.00 0.00 H new ATOM 2017 N MET A1046 -0.064 -19.680 -0.611 1.00 0.00 N ATOM 2018 CA MET A1046 -0.293 -20.524 0.540 1.00 0.00 C ATOM 2019 C MET A1046 -1.049 -21.771 0.108 1.00 0.00 C ATOM 2020 O MET A1046 -0.810 -22.871 0.612 1.00 0.00 O ATOM 2021 CB MET A1046 -1.082 -19.749 1.586 1.00 0.00 C ATOM 2022 CG MET A1046 -1.039 -20.370 2.970 1.00 0.00 C ATOM 2023 SD MET A1046 -2.026 -19.457 4.174 1.00 0.00 S ATOM 2024 CE MET A1046 -1.575 -20.285 5.699 1.00 0.00 C ATOM 0 H MET A1046 -0.518 -18.768 -0.557 1.00 0.00 H new ATOM 0 HA MET A1046 0.659 -20.827 0.977 1.00 0.00 H new ATOM 0 HB2 MET A1046 -0.693 -18.732 1.642 1.00 0.00 H new ATOM 0 HB3 MET A1046 -2.120 -19.675 1.263 1.00 0.00 H new ATOM 0 HG2 MET A1046 -1.400 -21.397 2.914 1.00 0.00 H new ATOM 0 HG3 MET A1046 -0.005 -20.414 3.312 1.00 0.00 H new ATOM 0 HE1 MET A1046 -2.108 -19.828 6.533 1.00 0.00 H new ATOM 0 HE2 MET A1046 -1.841 -21.340 5.633 1.00 0.00 H new ATOM 0 HE3 MET A1046 -0.501 -20.191 5.860 1.00 0.00 H new ATOM 2034 N ILE A1047 -1.958 -21.589 -0.847 1.00 0.00 N ATOM 2035 CA ILE A1047 -2.653 -22.707 -1.465 1.00 0.00 C ATOM 2036 C ILE A1047 -1.644 -23.605 -2.174 1.00 0.00 C ATOM 2037 O ILE A1047 -1.616 -24.819 -1.966 1.00 0.00 O ATOM 2038 CB ILE A1047 -3.704 -22.237 -2.495 1.00 0.00 C ATOM 2039 CG1 ILE A1047 -4.687 -21.267 -1.849 1.00 0.00 C ATOM 2040 CG2 ILE A1047 -4.444 -23.424 -3.094 1.00 0.00 C ATOM 2041 CD1 ILE A1047 -5.343 -21.807 -0.600 1.00 0.00 C ATOM 0 H ILE A1047 -2.228 -20.674 -1.208 1.00 0.00 H new ATOM 0 HA ILE A1047 -3.168 -23.250 -0.673 1.00 0.00 H new ATOM 0 HB ILE A1047 -3.183 -21.719 -3.300 1.00 0.00 H new ATOM 0 HG12 ILE A1047 -4.163 -20.343 -1.603 1.00 0.00 H new ATOM 0 HG13 ILE A1047 -5.460 -21.012 -2.573 1.00 0.00 H new ATOM 0 HG21 ILE A1047 -5.179 -23.068 -3.816 1.00 0.00 H new ATOM 0 HG22 ILE A1047 -3.733 -24.082 -3.594 1.00 0.00 H new ATOM 0 HG23 ILE A1047 -4.951 -23.974 -2.301 1.00 0.00 H new ATOM 0 HD11 ILE A1047 -6.028 -21.061 -0.197 1.00 0.00 H new ATOM 0 HD12 ILE A1047 -5.896 -22.714 -0.843 1.00 0.00 H new ATOM 0 HD13 ILE A1047 -4.579 -22.036 0.143 1.00 0.00 H new ATOM 2053 N SER A1048 -0.803 -22.966 -2.987 1.00 0.00 N ATOM 2054 CA SER A1048 0.240 -23.634 -3.760 1.00 0.00 C ATOM 2055 C SER A1048 1.117 -24.518 -2.876 1.00 0.00 C ATOM 2056 O SER A1048 1.495 -25.622 -3.273 1.00 0.00 O ATOM 2057 CB SER A1048 1.105 -22.579 -4.466 1.00 0.00 C ATOM 2058 OG SER A1048 2.186 -23.171 -5.166 1.00 0.00 O ATOM 0 H SER A1048 -0.829 -21.956 -3.128 1.00 0.00 H new ATOM 0 HA SER A1048 -0.241 -24.277 -4.497 1.00 0.00 H new ATOM 0 HB2 SER A1048 0.489 -22.010 -5.162 1.00 0.00 H new ATOM 0 HB3 SER A1048 1.491 -21.873 -3.731 1.00 0.00 H new ATOM 0 HG SER A1048 2.714 -22.471 -5.604 1.00 0.00 H new ATOM 2064 N GLN A1049 1.434 -24.029 -1.682 1.00 0.00 N ATOM 2065 CA GLN A1049 2.297 -24.760 -0.766 1.00 0.00 C ATOM 2066 C GLN A1049 1.667 -26.087 -0.351 1.00 0.00 C ATOM 2067 O GLN A1049 2.166 -27.151 -0.716 1.00 0.00 O ATOM 2068 CB GLN A1049 2.617 -23.912 0.468 1.00 0.00 C ATOM 2069 CG GLN A1049 3.573 -24.589 1.442 1.00 0.00 C ATOM 2070 CD GLN A1049 4.859 -25.049 0.781 1.00 0.00 C ATOM 2071 OE1 GLN A1049 5.319 -24.460 -0.193 1.00 0.00 O ATOM 2072 NE2 GLN A1049 5.449 -26.105 1.311 1.00 0.00 N ATOM 0 H GLN A1049 1.106 -23.131 -1.328 1.00 0.00 H new ATOM 0 HA GLN A1049 3.228 -24.978 -1.290 1.00 0.00 H new ATOM 0 HB2 GLN A1049 3.050 -22.965 0.145 1.00 0.00 H new ATOM 0 HB3 GLN A1049 1.688 -23.677 0.988 1.00 0.00 H new ATOM 0 HG2 GLN A1049 3.812 -23.897 2.249 1.00 0.00 H new ATOM 0 HG3 GLN A1049 3.076 -25.447 1.895 1.00 0.00 H new ATOM 0 HE21 GLN A1049 5.036 -26.567 2.121 1.00 0.00 H new ATOM 0 HE22 GLN A1049 6.318 -26.458 0.911 1.00 0.00 H new