USER MOD reduce.3.24.130724 H: found=0, std=0, add=1025, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1027 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A1045 LYS NZ :NH3+ -179:sc= -0.596 (180deg=-1.26) USER MOD Set 1.2: A1048 SER OG : rot 64:sc= 1.59 USER MOD Set 2.1: A1003 LYS NZ :NH3+ -162:sc= 1.29 (180deg=0) USER MOD Set 2.2: A1006 GLN : amide:sc= -0.754 K(o=-1.4,f=-2.2!) USER MOD Set 2.3: A1007 GLN : amide:sc= -1.9! C(o=-1.4!,f=-9.1!) USER MOD Set 3.1: A 928 ASN : amide:sc= -0.237 X(o=-0.49,f=-0.58!) USER MOD Set 3.2: A 968 THR OG1 : rot -80:sc= -0.257 USER MOD Set 4.1: A 951 TYR OH : rot 165:sc= -0.246 USER MOD Set 4.2: A1014 GLN : amide:sc= -3.65! C(o=-3.2!,f=-7.6!) USER MOD Set 4.3: A1018 LYS NZ :NH3+ -125:sc= 0.702 (180deg=0) USER MOD Set 5.1: A 940 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 944 GLN : amide:sc= -0.164 X(o=-0.16,f=-0.66) USER MOD Set 6.1: A 939 MET CE :methyl 166:sc= 0 (180deg=-0.136) USER MOD Set 6.2: A 954 MET CE :methyl 150:sc= -0.0489 (180deg=-0.263) USER MOD Set 6.3: A1021 MET CE :methyl -153:sc= -0.428 (180deg=-1.69!) USER MOD Single : A 921 SER OG : rot -22:sc= 0.669 USER MOD Single : A 922 ASN : amide:sc= 0.187 K(o=0.19,f=-0.39) USER MOD Single : A 924 LYS NZ :NH3+ 165:sc= -0.0692 (180deg=-0.332) USER MOD Single : A 926 TYR OH : rot 180:sc= 0 USER MOD Single : A 930 THR OG1 : rot 79:sc= 1.18 USER MOD Single : A 934 LYS NZ :NH3+ -155:sc= -0.137 (180deg=-0.681) USER MOD Single : A 941 SER OG : rot -74:sc= 0.914 USER MOD Single : A 942 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.302) USER MOD Single : A 956 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 964 THR OG1 : rot 74:sc= 0.828 USER MOD Single : A 972 SER OG : rot -154:sc= -1.52! USER MOD Single : A 979 SER OG : rot 170:sc= -0.228 USER MOD Single : A 980 THR OG1 : rot 163:sc= -1.58 USER MOD Single : A 981 HIS : no HD1:sc= -0.0222 X(o=-0.022,f=-0.022) USER MOD Single : A 986 MET CE :methyl -153:sc= -0.271 (180deg=-1.17) USER MOD Single : A 988 GLN : amide:sc= -0.0668 K(o=-0.067,f=-0.67) USER MOD Single : A 989 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 992 ASN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 993 SER OG : rot 97:sc= 1.28 USER MOD Single : A1000 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A1001 LYS NZ :NH3+ 178:sc= 1.08 (180deg=0.97) USER MOD Single : A1002 MET CE :methyl -139:sc= -1.95 (180deg=-4.22!) USER MOD Single : A1008 TYR OH : rot 180:sc= 0 USER MOD Single : A1015 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A1017 TYR OH : rot 180:sc= 0 USER MOD Single : A1019 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1020 GLN : amide:sc= -1.26 K(o=-1.3,f=-4.7!) USER MOD Single : A1023 THR OG1 : rot 73:sc= 0.212 USER MOD Single : A1026 HIS : no HD1:sc= 0 X(o=0,f=-0.0037) USER MOD Single : A1033 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00646) USER MOD Single : A1034 ASN :FLIP amide:sc= -0.0487 F(o=-2!,f=-0.049) USER MOD Single : A1041 GLN :FLIP amide:sc= 0 F(o=-0.55,f=0) USER MOD Single : A1046 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A1049 GLN : amide:sc= -0.529 X(o=-0.53,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 920 -8.307 -19.809 -2.559 1.00 0.00 N ATOM 2 CA ARG A 920 -8.119 -19.383 -1.175 1.00 0.00 C ATOM 3 C ARG A 920 -9.011 -18.187 -0.801 1.00 0.00 C ATOM 4 O ARG A 920 -9.129 -17.849 0.375 1.00 0.00 O ATOM 5 CB ARG A 920 -6.652 -19.015 -0.973 1.00 0.00 C ATOM 6 CG ARG A 920 -6.274 -18.681 0.458 1.00 0.00 C ATOM 7 CD ARG A 920 -6.185 -19.915 1.352 1.00 0.00 C ATOM 8 NE ARG A 920 -7.478 -20.571 1.561 1.00 0.00 N ATOM 9 CZ ARG A 920 -8.167 -20.539 2.704 1.00 0.00 C ATOM 10 NH1 ARG A 920 -7.733 -19.830 3.739 1.00 0.00 N ATOM 11 NH2 ARG A 920 -9.299 -21.224 2.806 1.00 0.00 N ATOM 0 HA ARG A 920 -8.406 -20.209 -0.525 1.00 0.00 H new ATOM 0 HB2 ARG A 920 -6.033 -19.845 -1.314 1.00 0.00 H new ATOM 0 HB3 ARG A 920 -6.415 -18.160 -1.606 1.00 0.00 H new ATOM 0 HG2 ARG A 920 -5.314 -18.164 0.464 1.00 0.00 H new ATOM 0 HG3 ARG A 920 -7.010 -17.991 0.871 1.00 0.00 H new ATOM 0 HD2 ARG A 920 -5.491 -20.628 0.908 1.00 0.00 H new ATOM 0 HD3 ARG A 920 -5.771 -19.627 2.318 1.00 0.00 H new ATOM 0 HE ARG A 920 -7.880 -21.088 0.779 1.00 0.00 H new ATOM 0 HH11 ARG A 920 -6.864 -19.301 3.666 1.00 0.00 H new ATOM 0 HH12 ARG A 920 -8.269 -19.814 4.607 1.00 0.00 H new ATOM 0 HH21 ARG A 920 -9.638 -21.770 2.014 1.00 0.00 H new ATOM 0 HH22 ARG A 920 -9.831 -21.204 3.676 1.00 0.00 H new ATOM 25 N SER A 921 -9.594 -17.532 -1.807 1.00 0.00 N ATOM 26 CA SER A 921 -10.524 -16.412 -1.602 1.00 0.00 C ATOM 27 C SER A 921 -9.791 -15.142 -1.160 1.00 0.00 C ATOM 28 O SER A 921 -10.408 -14.094 -0.963 1.00 0.00 O ATOM 29 CB SER A 921 -11.619 -16.791 -0.594 1.00 0.00 C ATOM 30 OG SER A 921 -12.565 -15.747 -0.429 1.00 0.00 O ATOM 0 H SER A 921 -9.437 -17.761 -2.788 1.00 0.00 H new ATOM 0 HA SER A 921 -10.998 -16.199 -2.560 1.00 0.00 H new ATOM 0 HB2 SER A 921 -12.128 -17.693 -0.932 1.00 0.00 H new ATOM 0 HB3 SER A 921 -11.163 -17.024 0.368 1.00 0.00 H new ATOM 0 HG SER A 921 -12.162 -14.895 -0.697 1.00 0.00 H new ATOM 36 N ASN A 922 -8.469 -15.253 -1.031 1.00 0.00 N ATOM 37 CA ASN A 922 -7.597 -14.119 -0.719 1.00 0.00 C ATOM 38 C ASN A 922 -8.074 -13.385 0.504 1.00 0.00 C ATOM 39 O ASN A 922 -8.500 -12.229 0.439 1.00 0.00 O ATOM 40 CB ASN A 922 -7.474 -13.171 -1.903 1.00 0.00 C ATOM 41 CG ASN A 922 -7.725 -13.887 -3.217 1.00 0.00 C ATOM 42 OD1 ASN A 922 -8.829 -13.843 -3.771 1.00 0.00 O ATOM 43 ND2 ASN A 922 -6.715 -14.592 -3.698 1.00 0.00 N ATOM 0 H ASN A 922 -7.970 -16.136 -1.140 1.00 0.00 H new ATOM 0 HA ASN A 922 -6.606 -14.520 -0.507 1.00 0.00 H new ATOM 0 HB2 ASN A 922 -8.186 -12.353 -1.791 1.00 0.00 H new ATOM 0 HB3 ASN A 922 -6.478 -12.728 -1.913 1.00 0.00 H new ATOM 0 HD21 ASN A 922 -6.831 -15.127 -4.558 1.00 0.00 H new ATOM 0 HD22 ASN A 922 -5.820 -14.600 -3.209 1.00 0.00 H new ATOM 50 N ASP A 923 -7.926 -14.104 1.606 1.00 0.00 N ATOM 51 CA ASP A 923 -8.259 -13.694 2.968 1.00 0.00 C ATOM 52 C ASP A 923 -7.776 -12.269 3.294 1.00 0.00 C ATOM 53 O ASP A 923 -7.386 -11.513 2.414 1.00 0.00 O ATOM 54 CB ASP A 923 -7.614 -14.726 3.905 1.00 0.00 C ATOM 55 CG ASP A 923 -8.085 -14.654 5.343 1.00 0.00 C ATOM 56 OD1 ASP A 923 -9.127 -14.022 5.606 1.00 0.00 O ATOM 57 OD2 ASP A 923 -7.401 -15.234 6.211 1.00 0.00 O ATOM 0 H ASP A 923 -7.546 -15.050 1.574 1.00 0.00 H new ATOM 0 HA ASP A 923 -9.341 -13.664 3.092 1.00 0.00 H new ATOM 0 HB2 ASP A 923 -7.818 -15.725 3.519 1.00 0.00 H new ATOM 0 HB3 ASP A 923 -6.533 -14.591 3.884 1.00 0.00 H new ATOM 62 N LYS A 924 -7.891 -11.892 4.557 1.00 0.00 N ATOM 63 CA LYS A 924 -7.454 -10.580 5.080 1.00 0.00 C ATOM 64 C LYS A 924 -6.181 -10.047 4.386 1.00 0.00 C ATOM 65 O LYS A 924 -5.909 -8.849 4.411 1.00 0.00 O ATOM 66 CB LYS A 924 -7.227 -10.700 6.594 1.00 0.00 C ATOM 67 CG LYS A 924 -7.520 -9.423 7.375 1.00 0.00 C ATOM 68 CD LYS A 924 -6.309 -8.511 7.473 1.00 0.00 C ATOM 69 CE LYS A 924 -6.623 -7.252 8.265 1.00 0.00 C ATOM 70 NZ LYS A 924 -7.148 -7.557 9.624 1.00 0.00 N ATOM 0 H LYS A 924 -8.298 -12.493 5.274 1.00 0.00 H new ATOM 0 HA LYS A 924 -8.242 -9.857 4.867 1.00 0.00 H new ATOM 0 HB2 LYS A 924 -7.856 -11.502 6.982 1.00 0.00 H new ATOM 0 HB3 LYS A 924 -6.192 -10.992 6.773 1.00 0.00 H new ATOM 0 HG2 LYS A 924 -8.337 -8.886 6.894 1.00 0.00 H new ATOM 0 HG3 LYS A 924 -7.857 -9.684 8.378 1.00 0.00 H new ATOM 0 HD2 LYS A 924 -5.487 -9.046 7.949 1.00 0.00 H new ATOM 0 HD3 LYS A 924 -5.975 -8.239 6.472 1.00 0.00 H new ATOM 0 HE2 LYS A 924 -5.721 -6.647 8.354 1.00 0.00 H new ATOM 0 HE3 LYS A 924 -7.355 -6.656 7.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 924 -7.108 -6.700 10.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 924 -8.133 -7.881 9.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 924 -6.569 -8.303 10.060 1.00 0.00 H new ATOM 84 N VAL A 925 -5.411 -10.942 3.779 1.00 0.00 N ATOM 85 CA VAL A 925 -4.275 -10.573 2.967 1.00 0.00 C ATOM 86 C VAL A 925 -4.653 -9.613 1.822 1.00 0.00 C ATOM 87 O VAL A 925 -4.140 -8.489 1.765 1.00 0.00 O ATOM 88 CB VAL A 925 -3.619 -11.845 2.374 1.00 0.00 C ATOM 89 CG1 VAL A 925 -2.623 -12.447 3.357 1.00 0.00 C ATOM 90 CG2 VAL A 925 -4.666 -12.879 2.004 1.00 0.00 C ATOM 0 H VAL A 925 -5.564 -11.948 3.841 1.00 0.00 H new ATOM 0 HA VAL A 925 -3.573 -10.050 3.617 1.00 0.00 H new ATOM 0 HB VAL A 925 -3.088 -11.550 1.469 1.00 0.00 H new ATOM 0 HG11 VAL A 925 -2.174 -13.339 2.920 1.00 0.00 H new ATOM 0 HG12 VAL A 925 -1.842 -11.718 3.576 1.00 0.00 H new ATOM 0 HG13 VAL A 925 -3.139 -12.715 4.279 1.00 0.00 H new ATOM 0 HG21 VAL A 925 -4.176 -13.761 1.590 1.00 0.00 H new ATOM 0 HG22 VAL A 925 -5.230 -13.161 2.894 1.00 0.00 H new ATOM 0 HG23 VAL A 925 -5.345 -12.460 1.262 1.00 0.00 H new ATOM 100 N TYR A 926 -5.602 -9.996 0.965 1.00 0.00 N ATOM 101 CA TYR A 926 -5.956 -9.145 -0.166 1.00 0.00 C ATOM 102 C TYR A 926 -6.845 -8.015 0.338 1.00 0.00 C ATOM 103 O TYR A 926 -6.835 -6.893 -0.175 1.00 0.00 O ATOM 104 CB TYR A 926 -6.659 -9.985 -1.234 1.00 0.00 C ATOM 105 CG TYR A 926 -7.431 -9.193 -2.262 1.00 0.00 C ATOM 106 CD1 TYR A 926 -6.786 -8.377 -3.182 1.00 0.00 C ATOM 107 CD2 TYR A 926 -8.813 -9.277 -2.314 1.00 0.00 C ATOM 108 CE1 TYR A 926 -7.503 -7.664 -4.125 1.00 0.00 C ATOM 109 CE2 TYR A 926 -9.536 -8.569 -3.250 1.00 0.00 C ATOM 110 CZ TYR A 926 -8.878 -7.762 -4.155 1.00 0.00 C ATOM 111 OH TYR A 926 -9.601 -7.055 -5.093 1.00 0.00 O ATOM 0 H TYR A 926 -6.126 -10.868 1.031 1.00 0.00 H new ATOM 0 HA TYR A 926 -5.065 -8.710 -0.620 1.00 0.00 H new ATOM 0 HB2 TYR A 926 -5.913 -10.590 -1.749 1.00 0.00 H new ATOM 0 HB3 TYR A 926 -7.343 -10.675 -0.740 1.00 0.00 H new ATOM 0 HD1 TYR A 926 -5.709 -8.298 -3.161 1.00 0.00 H new ATOM 0 HD2 TYR A 926 -9.333 -9.908 -1.609 1.00 0.00 H new ATOM 0 HE1 TYR A 926 -6.988 -7.033 -4.835 1.00 0.00 H new ATOM 0 HE2 TYR A 926 -10.613 -8.646 -3.275 1.00 0.00 H new ATOM 0 HH TYR A 926 -10.557 -7.238 -4.976 1.00 0.00 H new ATOM 121 N GLU A 927 -7.592 -8.349 1.380 1.00 0.00 N ATOM 122 CA GLU A 927 -8.520 -7.435 2.026 1.00 0.00 C ATOM 123 C GLU A 927 -7.813 -6.203 2.584 1.00 0.00 C ATOM 124 O GLU A 927 -8.218 -5.068 2.323 1.00 0.00 O ATOM 125 CB GLU A 927 -9.228 -8.174 3.159 1.00 0.00 C ATOM 126 CG GLU A 927 -10.218 -9.222 2.687 1.00 0.00 C ATOM 127 CD GLU A 927 -10.831 -9.999 3.835 1.00 0.00 C ATOM 128 OE1 GLU A 927 -10.697 -9.557 4.996 1.00 0.00 O ATOM 129 OE2 GLU A 927 -11.448 -11.054 3.579 1.00 0.00 O ATOM 0 H GLU A 927 -7.570 -9.276 1.806 1.00 0.00 H new ATOM 0 HA GLU A 927 -9.237 -7.092 1.280 1.00 0.00 H new ATOM 0 HB2 GLU A 927 -8.480 -8.654 3.790 1.00 0.00 H new ATOM 0 HB3 GLU A 927 -9.752 -7.448 3.781 1.00 0.00 H new ATOM 0 HG2 GLU A 927 -11.010 -8.738 2.116 1.00 0.00 H new ATOM 0 HG3 GLU A 927 -9.715 -9.914 2.011 1.00 0.00 H new ATOM 136 N ASN A 928 -6.758 -6.431 3.352 1.00 0.00 N ATOM 137 CA ASN A 928 -6.059 -5.350 4.043 1.00 0.00 C ATOM 138 C ASN A 928 -5.385 -4.411 3.060 1.00 0.00 C ATOM 139 O ASN A 928 -5.445 -3.196 3.219 1.00 0.00 O ATOM 140 CB ASN A 928 -5.009 -5.911 4.988 1.00 0.00 C ATOM 141 CG ASN A 928 -4.565 -4.923 6.054 1.00 0.00 C ATOM 142 OD1 ASN A 928 -4.664 -3.710 5.891 1.00 0.00 O ATOM 143 ND2 ASN A 928 -4.048 -5.447 7.150 1.00 0.00 N ATOM 0 H ASN A 928 -6.364 -7.357 3.515 1.00 0.00 H new ATOM 0 HA ASN A 928 -6.805 -4.793 4.610 1.00 0.00 H new ATOM 0 HB2 ASN A 928 -5.407 -6.802 5.473 1.00 0.00 H new ATOM 0 HB3 ASN A 928 -4.140 -6.224 4.409 1.00 0.00 H new ATOM 0 HD21 ASN A 928 -3.714 -4.839 7.898 1.00 0.00 H new ATOM 0 HD22 ASN A 928 -3.982 -6.460 7.249 1.00 0.00 H new ATOM 150 N VAL A 929 -4.717 -4.967 2.055 1.00 0.00 N ATOM 151 CA VAL A 929 -4.054 -4.130 1.063 1.00 0.00 C ATOM 152 C VAL A 929 -5.070 -3.268 0.301 1.00 0.00 C ATOM 153 O VAL A 929 -4.769 -2.141 -0.110 1.00 0.00 O ATOM 154 CB VAL A 929 -3.203 -4.953 0.078 1.00 0.00 C ATOM 155 CG1 VAL A 929 -2.250 -4.038 -0.667 1.00 0.00 C ATOM 156 CG2 VAL A 929 -2.435 -6.042 0.808 1.00 0.00 C ATOM 0 H VAL A 929 -4.621 -5.972 1.907 1.00 0.00 H new ATOM 0 HA VAL A 929 -3.377 -3.473 1.609 1.00 0.00 H new ATOM 0 HB VAL A 929 -3.867 -5.434 -0.640 1.00 0.00 H new ATOM 0 HG11 VAL A 929 -1.650 -4.625 -1.362 1.00 0.00 H new ATOM 0 HG12 VAL A 929 -2.820 -3.292 -1.220 1.00 0.00 H new ATOM 0 HG13 VAL A 929 -1.594 -3.538 0.046 1.00 0.00 H new ATOM 0 HG21 VAL A 929 -1.841 -6.610 0.092 1.00 0.00 H new ATOM 0 HG22 VAL A 929 -1.775 -5.589 1.548 1.00 0.00 H new ATOM 0 HG23 VAL A 929 -3.137 -6.709 1.308 1.00 0.00 H new ATOM 166 N THR A 930 -6.283 -3.784 0.138 1.00 0.00 N ATOM 167 CA THR A 930 -7.378 -2.984 -0.398 1.00 0.00 C ATOM 168 C THR A 930 -7.687 -1.839 0.574 1.00 0.00 C ATOM 169 O THR A 930 -8.040 -0.729 0.179 1.00 0.00 O ATOM 170 CB THR A 930 -8.641 -3.844 -0.627 1.00 0.00 C ATOM 171 OG1 THR A 930 -8.326 -4.956 -1.478 1.00 0.00 O ATOM 172 CG2 THR A 930 -9.758 -3.024 -1.258 1.00 0.00 C ATOM 0 H THR A 930 -6.532 -4.746 0.368 1.00 0.00 H new ATOM 0 HA THR A 930 -7.075 -2.578 -1.363 1.00 0.00 H new ATOM 0 HB THR A 930 -8.983 -4.206 0.343 1.00 0.00 H new ATOM 0 HG1 THR A 930 -7.882 -5.654 -0.953 1.00 0.00 H new ATOM 0 HG21 THR A 930 -10.634 -3.656 -1.407 1.00 0.00 H new ATOM 0 HG22 THR A 930 -10.017 -2.195 -0.600 1.00 0.00 H new ATOM 0 HG23 THR A 930 -9.424 -2.634 -2.219 1.00 0.00 H new ATOM 180 N GLY A 931 -7.538 -2.130 1.853 1.00 0.00 N ATOM 181 CA GLY A 931 -7.633 -1.107 2.877 1.00 0.00 C ATOM 182 C GLY A 931 -6.615 0.010 2.693 1.00 0.00 C ATOM 183 O GLY A 931 -6.868 1.145 3.091 1.00 0.00 O ATOM 0 H GLY A 931 -7.350 -3.068 2.208 1.00 0.00 H new ATOM 0 HA2 GLY A 931 -8.637 -0.682 2.868 1.00 0.00 H new ATOM 0 HA3 GLY A 931 -7.490 -1.565 3.856 1.00 0.00 H new ATOM 187 N LEU A 932 -5.469 -0.296 2.077 1.00 0.00 N ATOM 188 CA LEU A 932 -4.436 0.711 1.857 1.00 0.00 C ATOM 189 C LEU A 932 -4.939 1.758 0.866 1.00 0.00 C ATOM 190 O LEU A 932 -4.850 2.958 1.127 1.00 0.00 O ATOM 191 CB LEU A 932 -3.132 0.067 1.355 1.00 0.00 C ATOM 192 CG LEU A 932 -1.839 0.867 1.615 1.00 0.00 C ATOM 193 CD1 LEU A 932 -0.619 0.046 1.237 1.00 0.00 C ATOM 194 CD2 LEU A 932 -1.825 2.184 0.853 1.00 0.00 C ATOM 0 H LEU A 932 -5.238 -1.225 1.726 1.00 0.00 H new ATOM 0 HA LEU A 932 -4.217 1.198 2.807 1.00 0.00 H new ATOM 0 HB2 LEU A 932 -3.030 -0.912 1.823 1.00 0.00 H new ATOM 0 HB3 LEU A 932 -3.222 -0.100 0.282 1.00 0.00 H new ATOM 0 HG LEU A 932 -1.809 1.092 2.681 1.00 0.00 H new ATOM 0 HD11 LEU A 932 0.284 0.627 1.427 1.00 0.00 H new ATOM 0 HD12 LEU A 932 -0.596 -0.867 1.833 1.00 0.00 H new ATOM 0 HD13 LEU A 932 -0.668 -0.212 0.179 1.00 0.00 H new ATOM 0 HD21 LEU A 932 -0.898 2.716 1.064 1.00 0.00 H new ATOM 0 HD22 LEU A 932 -1.895 1.986 -0.217 1.00 0.00 H new ATOM 0 HD23 LEU A 932 -2.673 2.794 1.165 1.00 0.00 H new ATOM 206 N VAL A 933 -5.486 1.312 -0.265 1.00 0.00 N ATOM 207 CA VAL A 933 -6.043 2.255 -1.235 1.00 0.00 C ATOM 208 C VAL A 933 -7.219 3.026 -0.633 1.00 0.00 C ATOM 209 O VAL A 933 -7.452 4.181 -0.966 1.00 0.00 O ATOM 210 CB VAL A 933 -6.458 1.603 -2.574 1.00 0.00 C ATOM 211 CG1 VAL A 933 -5.235 1.330 -3.433 1.00 0.00 C ATOM 212 CG2 VAL A 933 -7.240 0.327 -2.361 1.00 0.00 C ATOM 0 H VAL A 933 -5.555 0.329 -0.528 1.00 0.00 H new ATOM 0 HA VAL A 933 -5.235 2.947 -1.470 1.00 0.00 H new ATOM 0 HB VAL A 933 -7.109 2.308 -3.091 1.00 0.00 H new ATOM 0 HG11 VAL A 933 -5.545 0.871 -4.372 1.00 0.00 H new ATOM 0 HG12 VAL A 933 -4.719 2.268 -3.640 1.00 0.00 H new ATOM 0 HG13 VAL A 933 -4.562 0.655 -2.904 1.00 0.00 H new ATOM 0 HG21 VAL A 933 -7.512 -0.099 -3.327 1.00 0.00 H new ATOM 0 HG22 VAL A 933 -6.628 -0.387 -1.809 1.00 0.00 H new ATOM 0 HG23 VAL A 933 -8.144 0.545 -1.793 1.00 0.00 H new ATOM 222 N LYS A 934 -7.958 2.379 0.257 1.00 0.00 N ATOM 223 CA LYS A 934 -9.031 3.039 0.995 1.00 0.00 C ATOM 224 C LYS A 934 -8.475 4.124 1.916 1.00 0.00 C ATOM 225 O LYS A 934 -9.147 5.111 2.204 1.00 0.00 O ATOM 226 CB LYS A 934 -9.838 2.021 1.811 1.00 0.00 C ATOM 227 CG LYS A 934 -11.096 1.502 1.116 1.00 0.00 C ATOM 228 CD LYS A 934 -10.798 0.640 -0.100 1.00 0.00 C ATOM 229 CE LYS A 934 -10.558 1.485 -1.339 1.00 0.00 C ATOM 230 NZ LYS A 934 -11.758 2.274 -1.720 1.00 0.00 N ATOM 0 H LYS A 934 -7.835 1.393 0.488 1.00 0.00 H new ATOM 0 HA LYS A 934 -9.693 3.508 0.267 1.00 0.00 H new ATOM 0 HB2 LYS A 934 -9.195 1.174 2.049 1.00 0.00 H new ATOM 0 HB3 LYS A 934 -10.125 2.479 2.758 1.00 0.00 H new ATOM 0 HG2 LYS A 934 -11.684 0.923 1.828 1.00 0.00 H new ATOM 0 HG3 LYS A 934 -11.710 2.349 0.811 1.00 0.00 H new ATOM 0 HD2 LYS A 934 -9.921 0.024 0.096 1.00 0.00 H new ATOM 0 HD3 LYS A 934 -11.631 -0.039 -0.278 1.00 0.00 H new ATOM 0 HE2 LYS A 934 -9.722 2.161 -1.159 1.00 0.00 H new ATOM 0 HE3 LYS A 934 -10.272 0.838 -2.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 934 -11.725 2.487 -2.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 934 -12.616 1.725 -1.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 934 -11.775 3.163 -1.181 1.00 0.00 H new ATOM 244 N ALA A 935 -7.242 3.942 2.362 1.00 0.00 N ATOM 245 CA ALA A 935 -6.600 4.911 3.234 1.00 0.00 C ATOM 246 C ALA A 935 -6.009 6.066 2.436 1.00 0.00 C ATOM 247 O ALA A 935 -5.851 7.170 2.948 1.00 0.00 O ATOM 248 CB ALA A 935 -5.534 4.252 4.080 1.00 0.00 C ATOM 0 H ALA A 935 -6.666 3.132 2.134 1.00 0.00 H new ATOM 0 HA ALA A 935 -7.365 5.315 3.897 1.00 0.00 H new ATOM 0 HB1 ALA A 935 -5.068 4.998 4.724 1.00 0.00 H new ATOM 0 HB2 ALA A 935 -5.987 3.474 4.694 1.00 0.00 H new ATOM 0 HB3 ALA A 935 -4.778 3.809 3.432 1.00 0.00 H new ATOM 254 N VAL A 936 -5.668 5.827 1.177 1.00 0.00 N ATOM 255 CA VAL A 936 -5.249 6.929 0.325 1.00 0.00 C ATOM 256 C VAL A 936 -6.486 7.656 -0.197 1.00 0.00 C ATOM 257 O VAL A 936 -6.406 8.751 -0.753 1.00 0.00 O ATOM 258 CB VAL A 936 -4.299 6.489 -0.819 1.00 0.00 C ATOM 259 CG1 VAL A 936 -5.008 5.621 -1.841 1.00 0.00 C ATOM 260 CG2 VAL A 936 -3.660 7.694 -1.496 1.00 0.00 C ATOM 0 H VAL A 936 -5.672 4.908 0.734 1.00 0.00 H new ATOM 0 HA VAL A 936 -4.657 7.618 0.927 1.00 0.00 H new ATOM 0 HB VAL A 936 -3.511 5.889 -0.365 1.00 0.00 H new ATOM 0 HG11 VAL A 936 -4.307 5.335 -2.625 1.00 0.00 H new ATOM 0 HG12 VAL A 936 -5.392 4.725 -1.353 1.00 0.00 H new ATOM 0 HG13 VAL A 936 -5.835 6.178 -2.280 1.00 0.00 H new ATOM 0 HG21 VAL A 936 -2.999 7.355 -2.294 1.00 0.00 H new ATOM 0 HG22 VAL A 936 -4.439 8.331 -1.916 1.00 0.00 H new ATOM 0 HG23 VAL A 936 -3.084 8.260 -0.764 1.00 0.00 H new ATOM 270 N ILE A 937 -7.645 7.046 0.026 1.00 0.00 N ATOM 271 CA ILE A 937 -8.909 7.742 -0.138 1.00 0.00 C ATOM 272 C ILE A 937 -9.065 8.745 1.007 1.00 0.00 C ATOM 273 O ILE A 937 -9.582 9.848 0.820 1.00 0.00 O ATOM 274 CB ILE A 937 -10.111 6.768 -0.166 1.00 0.00 C ATOM 275 CG1 ILE A 937 -10.019 5.842 -1.383 1.00 0.00 C ATOM 276 CG2 ILE A 937 -11.431 7.530 -0.177 1.00 0.00 C ATOM 277 CD1 ILE A 937 -10.018 6.568 -2.715 1.00 0.00 C ATOM 0 H ILE A 937 -7.732 6.073 0.320 1.00 0.00 H new ATOM 0 HA ILE A 937 -8.899 8.258 -1.098 1.00 0.00 H new ATOM 0 HB ILE A 937 -10.077 6.162 0.739 1.00 0.00 H new ATOM 0 HG12 ILE A 937 -9.109 5.247 -1.305 1.00 0.00 H new ATOM 0 HG13 ILE A 937 -10.858 5.146 -1.361 1.00 0.00 H new ATOM 0 HG21 ILE A 937 -12.260 6.822 -0.197 1.00 0.00 H new ATOM 0 HG22 ILE A 937 -11.502 8.147 0.719 1.00 0.00 H new ATOM 0 HG23 ILE A 937 -11.476 8.166 -1.061 1.00 0.00 H new ATOM 0 HD11 ILE A 937 -9.950 5.842 -3.525 1.00 0.00 H new ATOM 0 HD12 ILE A 937 -10.939 7.141 -2.818 1.00 0.00 H new ATOM 0 HD13 ILE A 937 -9.163 7.243 -2.761 1.00 0.00 H new ATOM 289 N GLU A 938 -8.602 8.343 2.193 1.00 0.00 N ATOM 290 CA GLU A 938 -8.488 9.255 3.331 1.00 0.00 C ATOM 291 C GLU A 938 -7.598 10.430 2.958 1.00 0.00 C ATOM 292 O GLU A 938 -7.925 11.582 3.229 1.00 0.00 O ATOM 293 CB GLU A 938 -7.905 8.538 4.554 1.00 0.00 C ATOM 294 CG GLU A 938 -8.694 7.303 4.963 1.00 0.00 C ATOM 295 CD GLU A 938 -8.218 6.692 6.269 1.00 0.00 C ATOM 296 OE1 GLU A 938 -7.102 6.135 6.305 1.00 0.00 O ATOM 297 OE2 GLU A 938 -8.968 6.757 7.266 1.00 0.00 O ATOM 0 H GLU A 938 -8.299 7.389 2.389 1.00 0.00 H new ATOM 0 HA GLU A 938 -9.486 9.613 3.584 1.00 0.00 H new ATOM 0 HB2 GLU A 938 -6.876 8.248 4.340 1.00 0.00 H new ATOM 0 HB3 GLU A 938 -7.873 9.234 5.393 1.00 0.00 H new ATOM 0 HG2 GLU A 938 -9.747 7.568 5.056 1.00 0.00 H new ATOM 0 HG3 GLU A 938 -8.622 6.556 4.173 1.00 0.00 H new ATOM 304 N MET A 939 -6.476 10.119 2.318 1.00 0.00 N ATOM 305 CA MET A 939 -5.558 11.136 1.819 1.00 0.00 C ATOM 306 C MET A 939 -6.262 12.057 0.825 1.00 0.00 C ATOM 307 O MET A 939 -6.137 13.279 0.900 1.00 0.00 O ATOM 308 CB MET A 939 -4.332 10.462 1.173 1.00 0.00 C ATOM 309 CG MET A 939 -3.445 11.393 0.354 1.00 0.00 C ATOM 310 SD MET A 939 -4.035 11.617 -1.336 1.00 0.00 S ATOM 311 CE MET A 939 -2.824 12.769 -1.971 1.00 0.00 C ATOM 0 H MET A 939 -6.179 9.161 2.131 1.00 0.00 H new ATOM 0 HA MET A 939 -5.219 11.747 2.656 1.00 0.00 H new ATOM 0 HB2 MET A 939 -3.729 10.008 1.959 1.00 0.00 H new ATOM 0 HB3 MET A 939 -4.677 9.653 0.529 1.00 0.00 H new ATOM 0 HG2 MET A 939 -3.393 12.364 0.847 1.00 0.00 H new ATOM 0 HG3 MET A 939 -2.431 10.993 0.330 1.00 0.00 H new ATOM 0 HE1 MET A 939 -2.900 12.814 -3.057 1.00 0.00 H new ATOM 0 HE2 MET A 939 -3.009 13.758 -1.553 1.00 0.00 H new ATOM 0 HE3 MET A 939 -1.824 12.437 -1.690 1.00 0.00 H new ATOM 321 N SER A 940 -7.017 11.460 -0.086 1.00 0.00 N ATOM 322 CA SER A 940 -7.702 12.209 -1.127 1.00 0.00 C ATOM 323 C SER A 940 -8.750 13.146 -0.537 1.00 0.00 C ATOM 324 O SER A 940 -8.911 14.272 -1.000 1.00 0.00 O ATOM 325 CB SER A 940 -8.366 11.248 -2.112 1.00 0.00 C ATOM 326 OG SER A 940 -8.857 11.933 -3.253 1.00 0.00 O ATOM 0 H SER A 940 -7.171 10.452 -0.124 1.00 0.00 H new ATOM 0 HA SER A 940 -6.960 12.813 -1.650 1.00 0.00 H new ATOM 0 HB2 SER A 940 -7.648 10.489 -2.423 1.00 0.00 H new ATOM 0 HB3 SER A 940 -9.186 10.727 -1.618 1.00 0.00 H new ATOM 0 HG SER A 940 -9.275 11.292 -3.865 1.00 0.00 H new ATOM 332 N SER A 941 -9.442 12.700 0.501 1.00 0.00 N ATOM 333 CA SER A 941 -10.503 13.504 1.080 1.00 0.00 C ATOM 334 C SER A 941 -9.874 14.591 1.925 1.00 0.00 C ATOM 335 O SER A 941 -10.307 15.744 1.917 1.00 0.00 O ATOM 336 CB SER A 941 -11.455 12.628 1.900 1.00 0.00 C ATOM 337 OG SER A 941 -10.748 11.614 2.596 1.00 0.00 O ATOM 0 H SER A 941 -9.290 11.798 0.953 1.00 0.00 H new ATOM 0 HA SER A 941 -11.098 13.966 0.292 1.00 0.00 H new ATOM 0 HB2 SER A 941 -12.002 13.247 2.611 1.00 0.00 H new ATOM 0 HB3 SER A 941 -12.194 12.173 1.240 1.00 0.00 H new ATOM 0 HG SER A 941 -10.465 10.920 1.964 1.00 0.00 H new ATOM 343 N LYS A 942 -8.814 14.195 2.608 1.00 0.00 N ATOM 344 CA LYS A 942 -7.996 15.088 3.400 1.00 0.00 C ATOM 345 C LYS A 942 -7.526 16.291 2.588 1.00 0.00 C ATOM 346 O LYS A 942 -7.681 17.428 3.014 1.00 0.00 O ATOM 347 CB LYS A 942 -6.796 14.311 3.931 1.00 0.00 C ATOM 348 CG LYS A 942 -6.877 14.002 5.408 1.00 0.00 C ATOM 349 CD LYS A 942 -6.599 15.253 6.203 1.00 0.00 C ATOM 350 CE LYS A 942 -6.936 15.086 7.675 1.00 0.00 C ATOM 351 NZ LYS A 942 -6.160 13.995 8.322 1.00 0.00 N ATOM 0 H LYS A 942 -8.495 13.226 2.626 1.00 0.00 H new ATOM 0 HA LYS A 942 -8.595 15.470 4.227 1.00 0.00 H new ATOM 0 HB2 LYS A 942 -6.706 13.376 3.378 1.00 0.00 H new ATOM 0 HB3 LYS A 942 -5.889 14.884 3.738 1.00 0.00 H new ATOM 0 HG2 LYS A 942 -7.865 13.614 5.655 1.00 0.00 H new ATOM 0 HG3 LYS A 942 -6.156 13.226 5.668 1.00 0.00 H new ATOM 0 HD2 LYS A 942 -5.547 15.520 6.101 1.00 0.00 H new ATOM 0 HD3 LYS A 942 -7.179 16.079 5.791 1.00 0.00 H new ATOM 0 HE2 LYS A 942 -6.741 16.023 8.197 1.00 0.00 H new ATOM 0 HE3 LYS A 942 -8.001 14.879 7.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 942 -6.147 14.142 9.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 942 -6.604 13.079 8.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 942 -5.185 14.000 7.959 1.00 0.00 H new ATOM 365 N ILE A 943 -6.970 16.040 1.410 1.00 0.00 N ATOM 366 CA ILE A 943 -6.408 17.114 0.604 1.00 0.00 C ATOM 367 C ILE A 943 -7.498 18.016 0.011 1.00 0.00 C ATOM 368 O ILE A 943 -7.243 19.183 -0.295 1.00 0.00 O ATOM 369 CB ILE A 943 -5.497 16.568 -0.529 1.00 0.00 C ATOM 370 CG1 ILE A 943 -4.822 17.716 -1.288 1.00 0.00 C ATOM 371 CG2 ILE A 943 -6.282 15.690 -1.491 1.00 0.00 C ATOM 372 CD1 ILE A 943 -3.863 17.261 -2.370 1.00 0.00 C ATOM 0 H ILE A 943 -6.897 15.111 0.995 1.00 0.00 H new ATOM 0 HA ILE A 943 -5.797 17.715 1.278 1.00 0.00 H new ATOM 0 HB ILE A 943 -4.723 15.957 -0.064 1.00 0.00 H new ATOM 0 HG12 ILE A 943 -5.592 18.342 -1.739 1.00 0.00 H new ATOM 0 HG13 ILE A 943 -4.281 18.340 -0.576 1.00 0.00 H new ATOM 0 HG21 ILE A 943 -5.618 15.323 -2.273 1.00 0.00 H new ATOM 0 HG22 ILE A 943 -6.706 14.845 -0.949 1.00 0.00 H new ATOM 0 HG23 ILE A 943 -7.086 16.272 -1.942 1.00 0.00 H new ATOM 0 HD11 ILE A 943 -3.427 18.132 -2.860 1.00 0.00 H new ATOM 0 HD12 ILE A 943 -3.070 16.661 -1.924 1.00 0.00 H new ATOM 0 HD13 ILE A 943 -4.401 16.663 -3.105 1.00 0.00 H new ATOM 384 N GLN A 944 -8.718 17.488 -0.133 1.00 0.00 N ATOM 385 CA GLN A 944 -9.793 18.249 -0.772 1.00 0.00 C ATOM 386 C GLN A 944 -10.104 19.568 -0.044 1.00 0.00 C ATOM 387 O GLN A 944 -9.877 20.637 -0.613 1.00 0.00 O ATOM 388 CB GLN A 944 -11.071 17.410 -0.913 1.00 0.00 C ATOM 389 CG GLN A 944 -10.915 16.201 -1.815 1.00 0.00 C ATOM 390 CD GLN A 944 -10.435 16.559 -3.207 1.00 0.00 C ATOM 391 OE1 GLN A 944 -10.758 17.623 -3.743 1.00 0.00 O ATOM 392 NE2 GLN A 944 -9.647 15.674 -3.793 1.00 0.00 N ATOM 0 H GLN A 944 -8.982 16.553 0.179 1.00 0.00 H new ATOM 0 HA GLN A 944 -9.428 18.503 -1.767 1.00 0.00 H new ATOM 0 HB2 GLN A 944 -11.385 17.076 0.076 1.00 0.00 H new ATOM 0 HB3 GLN A 944 -11.868 18.042 -1.304 1.00 0.00 H new ATOM 0 HG2 GLN A 944 -10.210 15.505 -1.361 1.00 0.00 H new ATOM 0 HG3 GLN A 944 -11.871 15.683 -1.888 1.00 0.00 H new ATOM 0 HE21 GLN A 944 -9.407 14.808 -3.312 1.00 0.00 H new ATOM 0 HE22 GLN A 944 -9.279 15.858 -4.727 1.00 0.00 H new ATOM 401 N PRO A 945 -10.599 19.554 1.217 1.00 0.00 N ATOM 402 CA PRO A 945 -11.012 20.778 1.890 1.00 0.00 C ATOM 403 C PRO A 945 -9.989 21.305 2.896 1.00 0.00 C ATOM 404 O PRO A 945 -10.255 22.271 3.608 1.00 0.00 O ATOM 405 CB PRO A 945 -12.270 20.311 2.616 1.00 0.00 C ATOM 406 CG PRO A 945 -12.015 18.868 2.946 1.00 0.00 C ATOM 407 CD PRO A 945 -10.861 18.404 2.082 1.00 0.00 C ATOM 0 HA PRO A 945 -11.145 21.607 1.195 1.00 0.00 H new ATOM 0 HB2 PRO A 945 -12.446 20.897 3.518 1.00 0.00 H new ATOM 0 HB3 PRO A 945 -13.153 20.422 1.987 1.00 0.00 H new ATOM 0 HG2 PRO A 945 -11.774 18.753 4.003 1.00 0.00 H new ATOM 0 HG3 PRO A 945 -12.904 18.267 2.754 1.00 0.00 H new ATOM 0 HD2 PRO A 945 -9.988 18.146 2.682 1.00 0.00 H new ATOM 0 HD3 PRO A 945 -11.123 17.518 1.504 1.00 0.00 H new ATOM 415 N ALA A 946 -8.826 20.678 2.961 1.00 0.00 N ATOM 416 CA ALA A 946 -7.854 21.024 3.986 1.00 0.00 C ATOM 417 C ALA A 946 -6.626 21.719 3.402 1.00 0.00 C ATOM 418 O ALA A 946 -6.332 21.591 2.211 1.00 0.00 O ATOM 419 CB ALA A 946 -7.450 19.781 4.754 1.00 0.00 C ATOM 0 H ALA A 946 -8.534 19.936 2.325 1.00 0.00 H new ATOM 0 HA ALA A 946 -8.326 21.732 4.668 1.00 0.00 H new ATOM 0 HB1 ALA A 946 -6.722 20.047 5.520 1.00 0.00 H new ATOM 0 HB2 ALA A 946 -8.330 19.343 5.226 1.00 0.00 H new ATOM 0 HB3 ALA A 946 -7.008 19.058 4.069 1.00 0.00 H new ATOM 425 N PRO A 947 -5.911 22.486 4.244 1.00 0.00 N ATOM 426 CA PRO A 947 -4.673 23.170 3.859 1.00 0.00 C ATOM 427 C PRO A 947 -3.464 22.230 3.870 1.00 0.00 C ATOM 428 O PRO A 947 -3.588 21.062 4.244 1.00 0.00 O ATOM 429 CB PRO A 947 -4.532 24.234 4.949 1.00 0.00 C ATOM 430 CG PRO A 947 -5.132 23.605 6.155 1.00 0.00 C ATOM 431 CD PRO A 947 -6.272 22.763 5.653 1.00 0.00 C ATOM 0 HA PRO A 947 -4.711 23.567 2.845 1.00 0.00 H new ATOM 0 HB2 PRO A 947 -3.487 24.497 5.115 1.00 0.00 H new ATOM 0 HB3 PRO A 947 -5.053 25.152 4.678 1.00 0.00 H new ATOM 0 HG2 PRO A 947 -4.399 22.996 6.684 1.00 0.00 H new ATOM 0 HG3 PRO A 947 -5.484 24.361 6.857 1.00 0.00 H new ATOM 0 HD2 PRO A 947 -6.374 21.843 6.228 1.00 0.00 H new ATOM 0 HD3 PRO A 947 -7.223 23.291 5.726 1.00 0.00 H new ATOM 439 N PRO A 948 -2.277 22.727 3.460 1.00 0.00 N ATOM 440 CA PRO A 948 -1.024 21.952 3.482 1.00 0.00 C ATOM 441 C PRO A 948 -0.716 21.340 4.848 1.00 0.00 C ATOM 442 O PRO A 948 -0.022 20.311 4.949 1.00 0.00 O ATOM 443 CB PRO A 948 0.037 22.981 3.103 1.00 0.00 C ATOM 444 CG PRO A 948 -0.697 23.989 2.291 1.00 0.00 C ATOM 445 CD PRO A 948 -2.068 24.076 2.893 1.00 0.00 C ATOM 0 HA PRO A 948 -1.074 21.097 2.808 1.00 0.00 H new ATOM 0 HB2 PRO A 948 0.485 23.434 3.988 1.00 0.00 H new ATOM 0 HB3 PRO A 948 0.847 22.525 2.533 1.00 0.00 H new ATOM 0 HG2 PRO A 948 -0.195 24.956 2.320 1.00 0.00 H new ATOM 0 HG3 PRO A 948 -0.747 23.687 1.245 1.00 0.00 H new ATOM 0 HD2 PRO A 948 -2.122 24.848 3.661 1.00 0.00 H new ATOM 0 HD3 PRO A 948 -2.822 24.319 2.144 1.00 0.00 H new ATOM 453 N GLU A 949 -1.256 21.960 5.892 1.00 0.00 N ATOM 454 CA GLU A 949 -1.141 21.432 7.241 1.00 0.00 C ATOM 455 C GLU A 949 -1.647 19.998 7.286 1.00 0.00 C ATOM 456 O GLU A 949 -1.147 19.183 8.057 1.00 0.00 O ATOM 457 CB GLU A 949 -1.940 22.290 8.221 1.00 0.00 C ATOM 458 CG GLU A 949 -1.424 23.711 8.347 1.00 0.00 C ATOM 459 CD GLU A 949 -2.240 24.535 9.320 1.00 0.00 C ATOM 460 OE1 GLU A 949 -2.130 24.301 10.543 1.00 0.00 O ATOM 461 OE2 GLU A 949 -2.991 25.423 8.869 1.00 0.00 O ATOM 0 H GLU A 949 -1.780 22.833 5.826 1.00 0.00 H new ATOM 0 HA GLU A 949 -0.090 21.452 7.530 1.00 0.00 H new ATOM 0 HB2 GLU A 949 -2.981 22.318 7.900 1.00 0.00 H new ATOM 0 HB3 GLU A 949 -1.921 21.817 9.203 1.00 0.00 H new ATOM 0 HG2 GLU A 949 -0.385 23.690 8.675 1.00 0.00 H new ATOM 0 HG3 GLU A 949 -1.440 24.189 7.367 1.00 0.00 H new ATOM 468 N GLU A 950 -2.623 19.691 6.435 1.00 0.00 N ATOM 469 CA GLU A 950 -3.169 18.349 6.361 1.00 0.00 C ATOM 470 C GLU A 950 -2.600 17.584 5.172 1.00 0.00 C ATOM 471 O GLU A 950 -2.970 16.436 4.950 1.00 0.00 O ATOM 472 CB GLU A 950 -4.689 18.373 6.270 1.00 0.00 C ATOM 473 CG GLU A 950 -5.361 19.126 7.408 1.00 0.00 C ATOM 474 CD GLU A 950 -5.141 18.481 8.760 1.00 0.00 C ATOM 475 OE1 GLU A 950 -5.955 17.615 9.153 1.00 0.00 O ATOM 476 OE2 GLU A 950 -4.171 18.852 9.450 1.00 0.00 O ATOM 0 H GLU A 950 -3.048 20.357 5.790 1.00 0.00 H new ATOM 0 HA GLU A 950 -2.880 17.838 7.279 1.00 0.00 H new ATOM 0 HB2 GLU A 950 -4.980 18.829 5.324 1.00 0.00 H new ATOM 0 HB3 GLU A 950 -5.059 17.348 6.257 1.00 0.00 H new ATOM 0 HG2 GLU A 950 -4.981 20.147 7.434 1.00 0.00 H new ATOM 0 HG3 GLU A 950 -6.431 19.188 7.212 1.00 0.00 H new ATOM 483 N TYR A 951 -1.702 18.212 4.412 1.00 0.00 N ATOM 484 CA TYR A 951 -0.995 17.502 3.348 1.00 0.00 C ATOM 485 C TYR A 951 -0.137 16.423 3.964 1.00 0.00 C ATOM 486 O TYR A 951 -0.022 15.319 3.435 1.00 0.00 O ATOM 487 CB TYR A 951 -0.110 18.430 2.508 1.00 0.00 C ATOM 488 CG TYR A 951 -0.859 19.319 1.545 1.00 0.00 C ATOM 489 CD1 TYR A 951 -2.208 19.129 1.285 1.00 0.00 C ATOM 490 CD2 TYR A 951 -0.203 20.350 0.891 1.00 0.00 C ATOM 491 CE1 TYR A 951 -2.880 19.944 0.398 1.00 0.00 C ATOM 492 CE2 TYR A 951 -0.866 21.170 0.007 1.00 0.00 C ATOM 493 CZ TYR A 951 -2.208 20.964 -0.237 1.00 0.00 C ATOM 494 OH TYR A 951 -2.879 21.773 -1.123 1.00 0.00 O ATOM 0 H TYR A 951 -1.450 19.195 4.511 1.00 0.00 H new ATOM 0 HA TYR A 951 -1.745 17.075 2.682 1.00 0.00 H new ATOM 0 HB2 TYR A 951 0.475 19.058 3.180 1.00 0.00 H new ATOM 0 HB3 TYR A 951 0.597 17.822 1.944 1.00 0.00 H new ATOM 0 HD1 TYR A 951 -2.740 18.332 1.784 1.00 0.00 H new ATOM 0 HD2 TYR A 951 0.848 20.513 1.079 1.00 0.00 H new ATOM 0 HE1 TYR A 951 -3.930 19.782 0.202 1.00 0.00 H new ATOM 0 HE2 TYR A 951 -0.339 21.970 -0.493 1.00 0.00 H new ATOM 0 HH TYR A 951 -2.344 22.573 -1.305 1.00 0.00 H new ATOM 504 N VAL A 952 0.468 16.740 5.095 1.00 0.00 N ATOM 505 CA VAL A 952 1.220 15.723 5.809 1.00 0.00 C ATOM 506 C VAL A 952 0.281 14.698 6.500 1.00 0.00 C ATOM 507 O VAL A 952 0.442 13.501 6.288 1.00 0.00 O ATOM 508 CB VAL A 952 2.316 16.315 6.756 1.00 0.00 C ATOM 509 CG1 VAL A 952 1.909 17.659 7.344 1.00 0.00 C ATOM 510 CG2 VAL A 952 2.675 15.338 7.866 1.00 0.00 C ATOM 0 H VAL A 952 0.456 17.663 5.529 1.00 0.00 H new ATOM 0 HA VAL A 952 1.784 15.164 5.062 1.00 0.00 H new ATOM 0 HB VAL A 952 3.200 16.481 6.140 1.00 0.00 H new ATOM 0 HG11 VAL A 952 2.703 18.027 7.994 1.00 0.00 H new ATOM 0 HG12 VAL A 952 1.740 18.373 6.538 1.00 0.00 H new ATOM 0 HG13 VAL A 952 0.993 17.541 7.922 1.00 0.00 H new ATOM 0 HG21 VAL A 952 3.439 15.779 8.506 1.00 0.00 H new ATOM 0 HG22 VAL A 952 1.787 15.119 8.459 1.00 0.00 H new ATOM 0 HG23 VAL A 952 3.057 14.415 7.429 1.00 0.00 H new ATOM 520 N PRO A 953 -0.732 15.116 7.299 1.00 0.00 N ATOM 521 CA PRO A 953 -1.744 14.185 7.837 1.00 0.00 C ATOM 522 C PRO A 953 -2.417 13.293 6.788 1.00 0.00 C ATOM 523 O PRO A 953 -2.729 12.143 7.073 1.00 0.00 O ATOM 524 CB PRO A 953 -2.782 15.116 8.430 1.00 0.00 C ATOM 525 CG PRO A 953 -1.991 16.285 8.871 1.00 0.00 C ATOM 526 CD PRO A 953 -0.929 16.462 7.826 1.00 0.00 C ATOM 0 HA PRO A 953 -1.280 13.485 8.532 1.00 0.00 H new ATOM 0 HB2 PRO A 953 -3.536 15.397 7.694 1.00 0.00 H new ATOM 0 HB3 PRO A 953 -3.308 14.651 9.264 1.00 0.00 H new ATOM 0 HG2 PRO A 953 -2.616 17.175 8.952 1.00 0.00 H new ATOM 0 HG3 PRO A 953 -1.551 16.114 9.854 1.00 0.00 H new ATOM 0 HD2 PRO A 953 -1.246 17.154 7.046 1.00 0.00 H new ATOM 0 HD3 PRO A 953 -0.010 16.863 8.253 1.00 0.00 H new ATOM 534 N MET A 954 -2.673 13.816 5.590 1.00 0.00 N ATOM 535 CA MET A 954 -3.358 13.025 4.569 1.00 0.00 C ATOM 536 C MET A 954 -2.515 11.812 4.195 1.00 0.00 C ATOM 537 O MET A 954 -3.011 10.689 4.107 1.00 0.00 O ATOM 538 CB MET A 954 -3.693 13.862 3.318 1.00 0.00 C ATOM 539 CG MET A 954 -2.496 14.256 2.476 1.00 0.00 C ATOM 540 SD MET A 954 -2.941 15.222 1.024 1.00 0.00 S ATOM 541 CE MET A 954 -1.335 15.436 0.260 1.00 0.00 C ATOM 0 H MET A 954 -2.423 14.763 5.306 1.00 0.00 H new ATOM 0 HA MET A 954 -4.304 12.686 4.991 1.00 0.00 H new ATOM 0 HB2 MET A 954 -4.387 13.297 2.696 1.00 0.00 H new ATOM 0 HB3 MET A 954 -4.212 14.768 3.633 1.00 0.00 H new ATOM 0 HG2 MET A 954 -1.802 14.831 3.089 1.00 0.00 H new ATOM 0 HG3 MET A 954 -1.970 13.355 2.159 1.00 0.00 H new ATOM 0 HE1 MET A 954 -1.453 15.512 -0.821 1.00 0.00 H new ATOM 0 HE2 MET A 954 -0.870 16.346 0.639 1.00 0.00 H new ATOM 0 HE3 MET A 954 -0.703 14.580 0.496 1.00 0.00 H new ATOM 551 N VAL A 955 -1.239 12.041 3.961 1.00 0.00 N ATOM 552 CA VAL A 955 -0.322 10.942 3.729 1.00 0.00 C ATOM 553 C VAL A 955 -0.123 10.118 4.996 1.00 0.00 C ATOM 554 O VAL A 955 0.180 8.930 4.933 1.00 0.00 O ATOM 555 CB VAL A 955 1.026 11.418 3.156 1.00 0.00 C ATOM 556 CG1 VAL A 955 1.984 10.250 2.992 1.00 0.00 C ATOM 557 CG2 VAL A 955 0.802 12.116 1.822 1.00 0.00 C ATOM 0 H VAL A 955 -0.816 12.968 3.926 1.00 0.00 H new ATOM 0 HA VAL A 955 -0.777 10.300 2.974 1.00 0.00 H new ATOM 0 HB VAL A 955 1.473 12.125 3.855 1.00 0.00 H new ATOM 0 HG11 VAL A 955 2.930 10.609 2.586 1.00 0.00 H new ATOM 0 HG12 VAL A 955 2.159 9.784 3.962 1.00 0.00 H new ATOM 0 HG13 VAL A 955 1.551 9.518 2.310 1.00 0.00 H new ATOM 0 HG21 VAL A 955 1.759 12.451 1.421 1.00 0.00 H new ATOM 0 HG22 VAL A 955 0.338 11.422 1.121 1.00 0.00 H new ATOM 0 HG23 VAL A 955 0.148 12.976 1.967 1.00 0.00 H new ATOM 567 N LYS A 956 -0.302 10.740 6.151 1.00 0.00 N ATOM 568 CA LYS A 956 -0.237 10.003 7.407 1.00 0.00 C ATOM 569 C LYS A 956 -1.293 8.897 7.384 1.00 0.00 C ATOM 570 O LYS A 956 -1.064 7.780 7.855 1.00 0.00 O ATOM 571 CB LYS A 956 -0.465 10.943 8.593 1.00 0.00 C ATOM 572 CG LYS A 956 -0.258 10.291 9.950 1.00 0.00 C ATOM 573 CD LYS A 956 -0.486 11.281 11.081 1.00 0.00 C ATOM 574 CE LYS A 956 -0.202 10.654 12.436 1.00 0.00 C ATOM 575 NZ LYS A 956 -0.410 11.615 13.548 1.00 0.00 N ATOM 0 H LYS A 956 -0.491 11.738 6.247 1.00 0.00 H new ATOM 0 HA LYS A 956 0.752 9.559 7.521 1.00 0.00 H new ATOM 0 HB2 LYS A 956 0.211 11.794 8.504 1.00 0.00 H new ATOM 0 HB3 LYS A 956 -1.481 11.336 8.542 1.00 0.00 H new ATOM 0 HG2 LYS A 956 -0.941 9.448 10.059 1.00 0.00 H new ATOM 0 HG3 LYS A 956 0.754 9.891 10.013 1.00 0.00 H new ATOM 0 HD2 LYS A 956 0.156 12.151 10.940 1.00 0.00 H new ATOM 0 HD3 LYS A 956 -1.516 11.637 11.052 1.00 0.00 H new ATOM 0 HE2 LYS A 956 -0.850 9.789 12.578 1.00 0.00 H new ATOM 0 HE3 LYS A 956 0.825 10.290 12.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 956 -0.206 11.147 14.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 956 0.226 12.429 13.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 956 -1.397 11.943 13.543 1.00 0.00 H new ATOM 589 N GLU A 957 -2.446 9.235 6.805 1.00 0.00 N ATOM 590 CA GLU A 957 -3.525 8.276 6.587 1.00 0.00 C ATOM 591 C GLU A 957 -3.024 7.060 5.789 1.00 0.00 C ATOM 592 O GLU A 957 -3.280 5.918 6.174 1.00 0.00 O ATOM 593 CB GLU A 957 -4.694 8.947 5.844 1.00 0.00 C ATOM 594 CG GLU A 957 -5.173 10.247 6.481 1.00 0.00 C ATOM 595 CD GLU A 957 -5.838 10.053 7.830 1.00 0.00 C ATOM 596 OE1 GLU A 957 -5.123 9.946 8.849 1.00 0.00 O ATOM 597 OE2 GLU A 957 -7.088 10.042 7.882 1.00 0.00 O ATOM 0 H GLU A 957 -2.656 10.177 6.476 1.00 0.00 H new ATOM 0 HA GLU A 957 -3.874 7.931 7.560 1.00 0.00 H new ATOM 0 HB2 GLU A 957 -4.390 9.149 4.817 1.00 0.00 H new ATOM 0 HB3 GLU A 957 -5.529 8.248 5.797 1.00 0.00 H new ATOM 0 HG2 GLU A 957 -4.323 10.919 6.598 1.00 0.00 H new ATOM 0 HG3 GLU A 957 -5.876 10.735 5.806 1.00 0.00 H new ATOM 604 N VAL A 958 -2.287 7.296 4.698 1.00 0.00 N ATOM 605 CA VAL A 958 -1.730 6.191 3.908 1.00 0.00 C ATOM 606 C VAL A 958 -0.541 5.528 4.614 1.00 0.00 C ATOM 607 O VAL A 958 -0.207 4.378 4.329 1.00 0.00 O ATOM 608 CB VAL A 958 -1.304 6.629 2.484 1.00 0.00 C ATOM 609 CG1 VAL A 958 -2.344 7.546 1.883 1.00 0.00 C ATOM 610 CG2 VAL A 958 0.061 7.294 2.477 1.00 0.00 C ATOM 0 H VAL A 958 -2.064 8.227 4.345 1.00 0.00 H new ATOM 0 HA VAL A 958 -2.538 5.465 3.812 1.00 0.00 H new ATOM 0 HB VAL A 958 -1.228 5.729 1.874 1.00 0.00 H new ATOM 0 HG11 VAL A 958 -2.031 7.845 0.883 1.00 0.00 H new ATOM 0 HG12 VAL A 958 -3.299 7.024 1.823 1.00 0.00 H new ATOM 0 HG13 VAL A 958 -2.454 8.432 2.509 1.00 0.00 H new ATOM 0 HG21 VAL A 958 0.319 7.585 1.459 1.00 0.00 H new ATOM 0 HG22 VAL A 958 0.038 8.180 3.112 1.00 0.00 H new ATOM 0 HG23 VAL A 958 0.808 6.596 2.855 1.00 0.00 H new ATOM 620 N GLY A 959 0.104 6.248 5.526 1.00 0.00 N ATOM 621 CA GLY A 959 1.210 5.667 6.264 1.00 0.00 C ATOM 622 C GLY A 959 0.735 4.601 7.225 1.00 0.00 C ATOM 623 O GLY A 959 1.328 3.524 7.319 1.00 0.00 O ATOM 0 H GLY A 959 -0.117 7.215 5.766 1.00 0.00 H new ATOM 0 HA2 GLY A 959 1.928 5.236 5.566 1.00 0.00 H new ATOM 0 HA3 GLY A 959 1.732 6.449 6.815 1.00 0.00 H new ATOM 627 N LEU A 960 -0.349 4.897 7.930 1.00 0.00 N ATOM 628 CA LEU A 960 -1.017 3.899 8.756 1.00 0.00 C ATOM 629 C LEU A 960 -1.587 2.779 7.895 1.00 0.00 C ATOM 630 O LEU A 960 -1.718 1.646 8.350 1.00 0.00 O ATOM 631 CB LEU A 960 -2.129 4.532 9.598 1.00 0.00 C ATOM 632 CG LEU A 960 -1.678 5.177 10.915 1.00 0.00 C ATOM 633 CD1 LEU A 960 -0.976 4.156 11.796 1.00 0.00 C ATOM 634 CD2 LEU A 960 -0.773 6.376 10.661 1.00 0.00 C ATOM 0 H LEU A 960 -0.784 5.819 7.947 1.00 0.00 H new ATOM 0 HA LEU A 960 -0.272 3.478 9.432 1.00 0.00 H new ATOM 0 HB2 LEU A 960 -2.629 5.290 8.996 1.00 0.00 H new ATOM 0 HB3 LEU A 960 -2.870 3.765 9.825 1.00 0.00 H new ATOM 0 HG LEU A 960 -2.567 5.533 11.435 1.00 0.00 H new ATOM 0 HD11 LEU A 960 -0.663 4.631 12.726 1.00 0.00 H new ATOM 0 HD12 LEU A 960 -1.660 3.337 12.019 1.00 0.00 H new ATOM 0 HD13 LEU A 960 -0.101 3.767 11.275 1.00 0.00 H new ATOM 0 HD21 LEU A 960 -0.470 6.811 11.613 1.00 0.00 H new ATOM 0 HD22 LEU A 960 0.112 6.054 10.111 1.00 0.00 H new ATOM 0 HD23 LEU A 960 -1.312 7.121 10.076 1.00 0.00 H new ATOM 646 N ALA A 961 -1.915 3.110 6.652 1.00 0.00 N ATOM 647 CA ALA A 961 -2.420 2.121 5.707 1.00 0.00 C ATOM 648 C ALA A 961 -1.422 0.991 5.507 1.00 0.00 C ATOM 649 O ALA A 961 -1.749 -0.172 5.735 1.00 0.00 O ATOM 650 CB ALA A 961 -2.737 2.767 4.376 1.00 0.00 C ATOM 0 H ALA A 961 -1.841 4.055 6.275 1.00 0.00 H new ATOM 0 HA ALA A 961 -3.335 1.703 6.126 1.00 0.00 H new ATOM 0 HB1 ALA A 961 -3.112 2.012 3.685 1.00 0.00 H new ATOM 0 HB2 ALA A 961 -3.494 3.538 4.517 1.00 0.00 H new ATOM 0 HB3 ALA A 961 -1.833 3.217 3.965 1.00 0.00 H new ATOM 656 N LEU A 962 -0.200 1.332 5.095 1.00 0.00 N ATOM 657 CA LEU A 962 0.841 0.334 4.921 1.00 0.00 C ATOM 658 C LEU A 962 1.183 -0.339 6.248 1.00 0.00 C ATOM 659 O LEU A 962 1.474 -1.529 6.280 1.00 0.00 O ATOM 660 CB LEU A 962 2.073 0.975 4.268 1.00 0.00 C ATOM 661 CG LEU A 962 3.352 0.126 4.231 1.00 0.00 C ATOM 662 CD1 LEU A 962 4.200 0.519 3.036 1.00 0.00 C ATOM 663 CD2 LEU A 962 4.164 0.301 5.508 1.00 0.00 C ATOM 0 H LEU A 962 0.086 2.287 4.878 1.00 0.00 H new ATOM 0 HA LEU A 962 0.475 -0.449 4.257 1.00 0.00 H new ATOM 0 HB2 LEU A 962 1.814 1.245 3.244 1.00 0.00 H new ATOM 0 HB3 LEU A 962 2.295 1.902 4.796 1.00 0.00 H new ATOM 0 HG LEU A 962 3.059 -0.921 4.147 1.00 0.00 H new ATOM 0 HD11 LEU A 962 5.105 -0.088 3.017 1.00 0.00 H new ATOM 0 HD12 LEU A 962 3.634 0.355 2.119 1.00 0.00 H new ATOM 0 HD13 LEU A 962 4.471 1.572 3.112 1.00 0.00 H new ATOM 0 HD21 LEU A 962 5.064 -0.312 5.454 1.00 0.00 H new ATOM 0 HD22 LEU A 962 4.444 1.348 5.620 1.00 0.00 H new ATOM 0 HD23 LEU A 962 3.566 -0.008 6.365 1.00 0.00 H new ATOM 675 N ARG A 963 1.164 0.416 7.340 1.00 0.00 N ATOM 676 CA ARG A 963 1.395 -0.169 8.664 1.00 0.00 C ATOM 677 C ARG A 963 0.356 -1.247 9.002 1.00 0.00 C ATOM 678 O ARG A 963 0.711 -2.363 9.378 1.00 0.00 O ATOM 679 CB ARG A 963 1.393 0.915 9.744 1.00 0.00 C ATOM 680 CG ARG A 963 1.771 0.386 11.114 1.00 0.00 C ATOM 681 CD ARG A 963 1.851 1.496 12.146 1.00 0.00 C ATOM 682 NE ARG A 963 2.273 0.989 13.448 1.00 0.00 N ATOM 683 CZ ARG A 963 2.980 1.693 14.330 1.00 0.00 C ATOM 684 NH1 ARG A 963 3.343 2.939 14.049 1.00 0.00 N ATOM 685 NH2 ARG A 963 3.328 1.149 15.489 1.00 0.00 N ATOM 0 H ARG A 963 0.994 1.422 7.341 1.00 0.00 H new ATOM 0 HA ARG A 963 2.376 -0.644 8.637 1.00 0.00 H new ATOM 0 HB2 ARG A 963 2.089 1.704 9.460 1.00 0.00 H new ATOM 0 HB3 ARG A 963 0.403 1.367 9.796 1.00 0.00 H new ATOM 0 HG2 ARG A 963 1.037 -0.354 11.433 1.00 0.00 H new ATOM 0 HG3 ARG A 963 2.732 -0.124 11.054 1.00 0.00 H new ATOM 0 HD2 ARG A 963 2.552 2.259 11.807 1.00 0.00 H new ATOM 0 HD3 ARG A 963 0.877 1.977 12.240 1.00 0.00 H new ATOM 0 HE ARG A 963 2.010 0.036 13.698 1.00 0.00 H new ATOM 0 HH11 ARG A 963 3.080 3.358 13.157 1.00 0.00 H new ATOM 0 HH12 ARG A 963 3.884 3.477 14.725 1.00 0.00 H new ATOM 0 HH21 ARG A 963 3.054 0.191 15.705 1.00 0.00 H new ATOM 0 HH22 ARG A 963 3.870 1.689 16.164 1.00 0.00 H new ATOM 699 N THR A 964 -0.922 -0.905 8.902 1.00 0.00 N ATOM 700 CA THR A 964 -1.989 -1.886 9.082 1.00 0.00 C ATOM 701 C THR A 964 -1.793 -3.054 8.111 1.00 0.00 C ATOM 702 O THR A 964 -1.945 -4.233 8.466 1.00 0.00 O ATOM 703 CB THR A 964 -3.378 -1.247 8.859 1.00 0.00 C ATOM 704 OG1 THR A 964 -3.525 -0.087 9.694 1.00 0.00 O ATOM 705 CG2 THR A 964 -4.493 -2.234 9.171 1.00 0.00 C ATOM 0 H THR A 964 -1.246 0.040 8.698 1.00 0.00 H new ATOM 0 HA THR A 964 -1.943 -2.253 10.107 1.00 0.00 H new ATOM 0 HB THR A 964 -3.450 -0.960 7.810 1.00 0.00 H new ATOM 0 HG1 THR A 964 -2.985 0.647 9.333 1.00 0.00 H new ATOM 0 HG21 THR A 964 -5.459 -1.756 9.005 1.00 0.00 H new ATOM 0 HG22 THR A 964 -4.402 -3.104 8.520 1.00 0.00 H new ATOM 0 HG23 THR A 964 -4.419 -2.550 10.212 1.00 0.00 H new ATOM 713 N LEU A 965 -1.409 -2.704 6.893 1.00 0.00 N ATOM 714 CA LEU A 965 -1.105 -3.671 5.852 1.00 0.00 C ATOM 715 C LEU A 965 0.054 -4.577 6.272 1.00 0.00 C ATOM 716 O LEU A 965 0.119 -5.741 5.884 1.00 0.00 O ATOM 717 CB LEU A 965 -0.784 -2.913 4.559 1.00 0.00 C ATOM 718 CG LEU A 965 -0.093 -3.706 3.455 1.00 0.00 C ATOM 719 CD1 LEU A 965 -0.569 -3.211 2.107 1.00 0.00 C ATOM 720 CD2 LEU A 965 1.419 -3.552 3.552 1.00 0.00 C ATOM 0 H LEU A 965 -1.299 -1.734 6.598 1.00 0.00 H new ATOM 0 HA LEU A 965 -1.967 -4.317 5.684 1.00 0.00 H new ATOM 0 HB2 LEU A 965 -1.716 -2.513 4.159 1.00 0.00 H new ATOM 0 HB3 LEU A 965 -0.153 -2.061 4.812 1.00 0.00 H new ATOM 0 HG LEU A 965 -0.343 -4.761 3.570 1.00 0.00 H new ATOM 0 HD11 LEU A 965 -0.076 -3.777 1.317 1.00 0.00 H new ATOM 0 HD12 LEU A 965 -1.648 -3.345 2.030 1.00 0.00 H new ATOM 0 HD13 LEU A 965 -0.327 -2.154 2.001 1.00 0.00 H new ATOM 0 HD21 LEU A 965 1.895 -4.125 2.756 1.00 0.00 H new ATOM 0 HD22 LEU A 965 1.685 -2.500 3.451 1.00 0.00 H new ATOM 0 HD23 LEU A 965 1.761 -3.921 4.519 1.00 0.00 H new ATOM 732 N LEU A 966 0.941 -4.035 7.097 1.00 0.00 N ATOM 733 CA LEU A 966 2.121 -4.758 7.567 1.00 0.00 C ATOM 734 C LEU A 966 1.715 -5.902 8.493 1.00 0.00 C ATOM 735 O LEU A 966 2.398 -6.925 8.571 1.00 0.00 O ATOM 736 CB LEU A 966 3.085 -3.808 8.285 1.00 0.00 C ATOM 737 CG LEU A 966 4.392 -4.436 8.774 1.00 0.00 C ATOM 738 CD1 LEU A 966 5.210 -4.953 7.604 1.00 0.00 C ATOM 739 CD2 LEU A 966 5.194 -3.431 9.582 1.00 0.00 C ATOM 0 H LEU A 966 0.865 -3.085 7.460 1.00 0.00 H new ATOM 0 HA LEU A 966 2.632 -5.178 6.701 1.00 0.00 H new ATOM 0 HB2 LEU A 966 3.328 -2.987 7.610 1.00 0.00 H new ATOM 0 HB3 LEU A 966 2.569 -3.374 9.141 1.00 0.00 H new ATOM 0 HG LEU A 966 4.146 -5.280 9.418 1.00 0.00 H new ATOM 0 HD11 LEU A 966 6.135 -5.395 7.974 1.00 0.00 H new ATOM 0 HD12 LEU A 966 4.637 -5.707 7.065 1.00 0.00 H new ATOM 0 HD13 LEU A 966 5.446 -4.128 6.932 1.00 0.00 H new ATOM 0 HD21 LEU A 966 6.120 -3.894 9.922 1.00 0.00 H new ATOM 0 HD22 LEU A 966 5.427 -2.567 8.960 1.00 0.00 H new ATOM 0 HD23 LEU A 966 4.611 -3.110 10.445 1.00 0.00 H new ATOM 751 N ALA A 967 0.600 -5.729 9.193 1.00 0.00 N ATOM 752 CA ALA A 967 0.034 -6.809 9.993 1.00 0.00 C ATOM 753 C ALA A 967 -0.400 -7.951 9.080 1.00 0.00 C ATOM 754 O ALA A 967 -0.229 -9.124 9.399 1.00 0.00 O ATOM 755 CB ALA A 967 -1.137 -6.308 10.825 1.00 0.00 C ATOM 0 H ALA A 967 0.072 -4.857 9.223 1.00 0.00 H new ATOM 0 HA ALA A 967 0.796 -7.176 10.680 1.00 0.00 H new ATOM 0 HB1 ALA A 967 -1.543 -7.131 11.414 1.00 0.00 H new ATOM 0 HB2 ALA A 967 -0.796 -5.517 11.493 1.00 0.00 H new ATOM 0 HB3 ALA A 967 -1.911 -5.917 10.165 1.00 0.00 H new ATOM 761 N THR A 968 -0.944 -7.585 7.928 1.00 0.00 N ATOM 762 CA THR A 968 -1.291 -8.564 6.903 1.00 0.00 C ATOM 763 C THR A 968 -0.039 -9.141 6.248 1.00 0.00 C ATOM 764 O THR A 968 -0.011 -10.307 5.851 1.00 0.00 O ATOM 765 CB THR A 968 -2.217 -7.942 5.847 1.00 0.00 C ATOM 766 OG1 THR A 968 -3.560 -8.006 6.321 1.00 0.00 O ATOM 767 CG2 THR A 968 -2.115 -8.641 4.497 1.00 0.00 C ATOM 0 H THR A 968 -1.155 -6.619 7.678 1.00 0.00 H new ATOM 0 HA THR A 968 -1.824 -9.381 7.388 1.00 0.00 H new ATOM 0 HB THR A 968 -1.907 -6.908 5.695 1.00 0.00 H new ATOM 0 HG1 THR A 968 -3.918 -8.906 6.170 1.00 0.00 H new ATOM 0 HG21 THR A 968 -2.790 -8.162 3.787 1.00 0.00 H new ATOM 0 HG22 THR A 968 -1.092 -8.572 4.128 1.00 0.00 H new ATOM 0 HG23 THR A 968 -2.391 -9.690 4.609 1.00 0.00 H new ATOM 775 N VAL A 969 0.985 -8.317 6.127 1.00 0.00 N ATOM 776 CA VAL A 969 2.291 -8.786 5.683 1.00 0.00 C ATOM 777 C VAL A 969 2.780 -9.934 6.571 1.00 0.00 C ATOM 778 O VAL A 969 3.471 -10.826 6.101 1.00 0.00 O ATOM 779 CB VAL A 969 3.339 -7.646 5.655 1.00 0.00 C ATOM 780 CG1 VAL A 969 4.725 -8.179 5.323 1.00 0.00 C ATOM 781 CG2 VAL A 969 2.934 -6.584 4.645 1.00 0.00 C ATOM 0 H VAL A 969 0.941 -7.318 6.329 1.00 0.00 H new ATOM 0 HA VAL A 969 2.174 -9.149 4.662 1.00 0.00 H new ATOM 0 HB VAL A 969 3.376 -7.200 6.649 1.00 0.00 H new ATOM 0 HG11 VAL A 969 5.438 -7.355 5.311 1.00 0.00 H new ATOM 0 HG12 VAL A 969 5.025 -8.907 6.076 1.00 0.00 H new ATOM 0 HG13 VAL A 969 4.706 -8.657 4.344 1.00 0.00 H new ATOM 0 HG21 VAL A 969 3.679 -5.788 4.635 1.00 0.00 H new ATOM 0 HG22 VAL A 969 2.868 -7.031 3.653 1.00 0.00 H new ATOM 0 HG23 VAL A 969 1.964 -6.170 4.922 1.00 0.00 H new ATOM 791 N ASP A 970 2.393 -9.923 7.846 1.00 0.00 N ATOM 792 CA ASP A 970 2.756 -11.007 8.767 1.00 0.00 C ATOM 793 C ASP A 970 1.885 -12.233 8.551 1.00 0.00 C ATOM 794 O ASP A 970 2.300 -13.340 8.842 1.00 0.00 O ATOM 795 CB ASP A 970 2.676 -10.543 10.225 1.00 0.00 C ATOM 796 CG ASP A 970 3.065 -11.635 11.210 1.00 0.00 C ATOM 797 OD1 ASP A 970 4.277 -11.828 11.451 1.00 0.00 O ATOM 798 OD2 ASP A 970 2.161 -12.309 11.749 1.00 0.00 O ATOM 0 H ASP A 970 1.832 -9.182 8.266 1.00 0.00 H new ATOM 0 HA ASP A 970 3.788 -11.284 8.552 1.00 0.00 H new ATOM 0 HB2 ASP A 970 3.331 -9.683 10.365 1.00 0.00 H new ATOM 0 HB3 ASP A 970 1.661 -10.209 10.441 1.00 0.00 H new ATOM 803 N GLU A 971 0.686 -12.032 8.045 1.00 0.00 N ATOM 804 CA GLU A 971 -0.147 -13.150 7.607 1.00 0.00 C ATOM 805 C GLU A 971 0.528 -13.818 6.407 1.00 0.00 C ATOM 806 O GLU A 971 0.826 -15.031 6.374 1.00 0.00 O ATOM 807 CB GLU A 971 -1.533 -12.643 7.200 1.00 0.00 C ATOM 808 CG GLU A 971 -2.220 -11.827 8.277 1.00 0.00 C ATOM 809 CD GLU A 971 -2.548 -12.660 9.492 1.00 0.00 C ATOM 810 OE1 GLU A 971 -3.387 -13.573 9.374 1.00 0.00 O ATOM 811 OE2 GLU A 971 -1.949 -12.432 10.561 1.00 0.00 O ATOM 0 H GLU A 971 0.261 -11.112 7.924 1.00 0.00 H new ATOM 0 HA GLU A 971 -0.262 -13.866 8.421 1.00 0.00 H new ATOM 0 HB2 GLU A 971 -1.439 -12.035 6.300 1.00 0.00 H new ATOM 0 HB3 GLU A 971 -2.162 -13.496 6.945 1.00 0.00 H new ATOM 0 HG2 GLU A 971 -1.577 -10.997 8.569 1.00 0.00 H new ATOM 0 HG3 GLU A 971 -3.136 -11.394 7.875 1.00 0.00 H new ATOM 818 N SER A 972 0.803 -12.986 5.429 1.00 0.00 N ATOM 819 CA SER A 972 1.474 -13.413 4.237 1.00 0.00 C ATOM 820 C SER A 972 2.877 -13.920 4.561 1.00 0.00 C ATOM 821 O SER A 972 3.393 -14.743 3.839 1.00 0.00 O ATOM 822 CB SER A 972 1.511 -12.267 3.224 1.00 0.00 C ATOM 823 OG SER A 972 2.158 -12.657 2.028 1.00 0.00 O ATOM 0 H SER A 972 0.565 -11.994 5.444 1.00 0.00 H new ATOM 0 HA SER A 972 0.923 -14.242 3.794 1.00 0.00 H new ATOM 0 HB2 SER A 972 0.494 -11.944 3.001 1.00 0.00 H new ATOM 0 HB3 SER A 972 2.029 -11.412 3.658 1.00 0.00 H new ATOM 0 HG SER A 972 2.534 -11.867 1.587 1.00 0.00 H new ATOM 829 N LEU A 973 3.479 -13.428 5.646 1.00 0.00 N ATOM 830 CA LEU A 973 4.875 -13.747 5.989 1.00 0.00 C ATOM 831 C LEU A 973 5.112 -15.257 6.134 1.00 0.00 C ATOM 832 O LEU A 973 6.026 -15.769 5.504 1.00 0.00 O ATOM 833 CB LEU A 973 5.310 -12.982 7.252 1.00 0.00 C ATOM 834 CG LEU A 973 6.823 -12.782 7.445 1.00 0.00 C ATOM 835 CD1 LEU A 973 7.078 -11.707 8.487 1.00 0.00 C ATOM 836 CD2 LEU A 973 7.513 -14.073 7.860 1.00 0.00 C ATOM 0 H LEU A 973 3.021 -12.802 6.309 1.00 0.00 H new ATOM 0 HA LEU A 973 5.498 -13.418 5.157 1.00 0.00 H new ATOM 0 HB2 LEU A 973 4.835 -12.001 7.237 1.00 0.00 H new ATOM 0 HB3 LEU A 973 4.922 -13.511 8.122 1.00 0.00 H new ATOM 0 HG LEU A 973 7.239 -12.471 6.487 1.00 0.00 H new ATOM 0 HD11 LEU A 973 8.152 -11.573 8.616 1.00 0.00 H new ATOM 0 HD12 LEU A 973 6.632 -10.768 8.158 1.00 0.00 H new ATOM 0 HD13 LEU A 973 6.633 -12.007 9.436 1.00 0.00 H new ATOM 0 HD21 LEU A 973 8.580 -13.891 7.986 1.00 0.00 H new ATOM 0 HD22 LEU A 973 7.091 -14.425 8.801 1.00 0.00 H new ATOM 0 HD23 LEU A 973 7.363 -14.830 7.090 1.00 0.00 H new ATOM 848 N PRO A 974 4.340 -16.013 6.952 1.00 0.00 N ATOM 849 CA PRO A 974 4.425 -17.477 6.926 1.00 0.00 C ATOM 850 C PRO A 974 4.190 -17.999 5.521 1.00 0.00 C ATOM 851 O PRO A 974 4.754 -19.019 5.111 1.00 0.00 O ATOM 852 CB PRO A 974 3.304 -17.932 7.859 1.00 0.00 C ATOM 853 CG PRO A 974 3.099 -16.784 8.775 1.00 0.00 C ATOM 854 CD PRO A 974 3.393 -15.555 7.960 1.00 0.00 C ATOM 0 HA PRO A 974 5.404 -17.845 7.234 1.00 0.00 H new ATOM 0 HB2 PRO A 974 2.395 -18.165 7.304 1.00 0.00 H new ATOM 0 HB3 PRO A 974 3.583 -18.832 8.406 1.00 0.00 H new ATOM 0 HG2 PRO A 974 2.078 -16.765 9.157 1.00 0.00 H new ATOM 0 HG3 PRO A 974 3.761 -16.849 9.638 1.00 0.00 H new ATOM 0 HD2 PRO A 974 2.488 -15.154 7.503 1.00 0.00 H new ATOM 0 HD3 PRO A 974 3.818 -14.762 8.575 1.00 0.00 H new ATOM 862 N VAL A 975 3.377 -17.270 4.764 1.00 0.00 N ATOM 863 CA VAL A 975 3.143 -17.644 3.371 1.00 0.00 C ATOM 864 C VAL A 975 4.333 -17.245 2.466 1.00 0.00 C ATOM 865 O VAL A 975 4.423 -17.703 1.326 1.00 0.00 O ATOM 866 CB VAL A 975 1.831 -17.052 2.830 1.00 0.00 C ATOM 867 CG1 VAL A 975 1.379 -17.833 1.615 1.00 0.00 C ATOM 868 CG2 VAL A 975 0.746 -17.068 3.897 1.00 0.00 C ATOM 0 H VAL A 975 2.879 -16.437 5.079 1.00 0.00 H new ATOM 0 HA VAL A 975 3.051 -18.730 3.351 1.00 0.00 H new ATOM 0 HB VAL A 975 2.011 -16.015 2.546 1.00 0.00 H new ATOM 0 HG11 VAL A 975 0.449 -17.410 1.236 1.00 0.00 H new ATOM 0 HG12 VAL A 975 2.145 -17.778 0.841 1.00 0.00 H new ATOM 0 HG13 VAL A 975 1.217 -18.875 1.892 1.00 0.00 H new ATOM 0 HG21 VAL A 975 -0.172 -16.644 3.489 1.00 0.00 H new ATOM 0 HG22 VAL A 975 0.562 -18.095 4.214 1.00 0.00 H new ATOM 0 HG23 VAL A 975 1.069 -16.477 4.754 1.00 0.00 H new ATOM 878 N LEU A 976 5.242 -16.399 2.970 1.00 0.00 N ATOM 879 CA LEU A 976 6.471 -16.051 2.238 1.00 0.00 C ATOM 880 C LEU A 976 7.333 -17.293 2.002 1.00 0.00 C ATOM 881 O LEU A 976 7.523 -17.676 0.848 1.00 0.00 O ATOM 882 CB LEU A 976 7.312 -14.962 2.942 1.00 0.00 C ATOM 883 CG LEU A 976 6.971 -13.500 2.642 1.00 0.00 C ATOM 884 CD1 LEU A 976 5.482 -13.245 2.669 1.00 0.00 C ATOM 885 CD2 LEU A 976 7.677 -12.592 3.638 1.00 0.00 C ATOM 0 H LEU A 976 5.151 -15.944 3.878 1.00 0.00 H new ATOM 0 HA LEU A 976 6.145 -15.640 1.283 1.00 0.00 H new ATOM 0 HB2 LEU A 976 7.225 -15.113 4.018 1.00 0.00 H new ATOM 0 HB3 LEU A 976 8.358 -15.124 2.681 1.00 0.00 H new ATOM 0 HG LEU A 976 7.318 -13.280 1.633 1.00 0.00 H new ATOM 0 HD11 LEU A 976 5.289 -12.195 2.451 1.00 0.00 H new ATOM 0 HD12 LEU A 976 4.993 -13.867 1.920 1.00 0.00 H new ATOM 0 HD13 LEU A 976 5.089 -13.489 3.656 1.00 0.00 H new ATOM 0 HD21 LEU A 976 7.431 -11.553 3.420 1.00 0.00 H new ATOM 0 HD22 LEU A 976 7.351 -12.838 4.649 1.00 0.00 H new ATOM 0 HD23 LEU A 976 8.755 -12.734 3.559 1.00 0.00 H new ATOM 897 N PRO A 977 7.873 -17.960 3.062 1.00 0.00 N ATOM 898 CA PRO A 977 8.662 -19.182 2.877 1.00 0.00 C ATOM 899 C PRO A 977 7.857 -20.256 2.164 1.00 0.00 C ATOM 900 O PRO A 977 8.413 -21.108 1.470 1.00 0.00 O ATOM 901 CB PRO A 977 9.022 -19.629 4.300 1.00 0.00 C ATOM 902 CG PRO A 977 8.082 -18.892 5.187 1.00 0.00 C ATOM 903 CD PRO A 977 7.795 -17.599 4.485 1.00 0.00 C ATOM 0 HA PRO A 977 9.543 -19.008 2.259 1.00 0.00 H new ATOM 0 HB2 PRO A 977 8.909 -20.707 4.415 1.00 0.00 H new ATOM 0 HB3 PRO A 977 10.058 -19.390 4.538 1.00 0.00 H new ATOM 0 HG2 PRO A 977 7.167 -19.462 5.348 1.00 0.00 H new ATOM 0 HG3 PRO A 977 8.525 -18.716 6.167 1.00 0.00 H new ATOM 0 HD2 PRO A 977 6.812 -17.209 4.747 1.00 0.00 H new ATOM 0 HD3 PRO A 977 8.523 -16.830 4.745 1.00 0.00 H new ATOM 911 N ALA A 978 6.538 -20.206 2.341 1.00 0.00 N ATOM 912 CA ALA A 978 5.645 -21.087 1.611 1.00 0.00 C ATOM 913 C ALA A 978 5.796 -20.875 0.107 1.00 0.00 C ATOM 914 O ALA A 978 6.038 -21.827 -0.629 1.00 0.00 O ATOM 915 CB ALA A 978 4.204 -20.868 2.042 1.00 0.00 C ATOM 0 H ALA A 978 6.071 -19.565 2.982 1.00 0.00 H new ATOM 0 HA ALA A 978 5.916 -22.117 1.841 1.00 0.00 H new ATOM 0 HB1 ALA A 978 3.551 -21.538 1.483 1.00 0.00 H new ATOM 0 HB2 ALA A 978 4.108 -21.074 3.108 1.00 0.00 H new ATOM 0 HB3 ALA A 978 3.918 -19.835 1.845 1.00 0.00 H new ATOM 921 N SER A 979 5.692 -19.623 -0.344 1.00 0.00 N ATOM 922 CA SER A 979 5.766 -19.328 -1.776 1.00 0.00 C ATOM 923 C SER A 979 5.831 -17.818 -2.051 1.00 0.00 C ATOM 924 O SER A 979 6.458 -17.374 -3.015 1.00 0.00 O ATOM 925 CB SER A 979 4.539 -19.915 -2.472 1.00 0.00 C ATOM 926 OG SER A 979 4.781 -20.118 -3.854 1.00 0.00 O ATOM 0 H SER A 979 5.558 -18.807 0.253 1.00 0.00 H new ATOM 0 HA SER A 979 6.681 -19.776 -2.164 1.00 0.00 H new ATOM 0 HB2 SER A 979 4.271 -20.862 -2.004 1.00 0.00 H new ATOM 0 HB3 SER A 979 3.689 -19.244 -2.344 1.00 0.00 H new ATOM 0 HG SER A 979 4.047 -20.639 -4.242 1.00 0.00 H new ATOM 932 N THR A 980 5.168 -17.046 -1.202 1.00 0.00 N ATOM 933 CA THR A 980 4.990 -15.605 -1.400 1.00 0.00 C ATOM 934 C THR A 980 6.292 -14.799 -1.381 1.00 0.00 C ATOM 935 O THR A 980 6.340 -13.700 -1.928 1.00 0.00 O ATOM 936 CB THR A 980 4.058 -15.034 -0.326 1.00 0.00 C ATOM 937 OG1 THR A 980 2.885 -15.844 -0.235 1.00 0.00 O ATOM 938 CG2 THR A 980 3.672 -13.602 -0.655 1.00 0.00 C ATOM 0 H THR A 980 4.734 -17.399 -0.349 1.00 0.00 H new ATOM 0 HA THR A 980 4.563 -15.506 -2.398 1.00 0.00 H new ATOM 0 HB THR A 980 4.581 -15.037 0.630 1.00 0.00 H new ATOM 0 HG1 THR A 980 2.424 -15.658 0.610 1.00 0.00 H new ATOM 0 HG21 THR A 980 3.010 -13.216 0.120 1.00 0.00 H new ATOM 0 HG22 THR A 980 4.570 -12.986 -0.706 1.00 0.00 H new ATOM 0 HG23 THR A 980 3.159 -13.575 -1.616 1.00 0.00 H new ATOM 946 N HIS A 981 7.340 -15.335 -0.767 1.00 0.00 N ATOM 947 CA HIS A 981 8.599 -14.600 -0.600 1.00 0.00 C ATOM 948 C HIS A 981 9.134 -14.050 -1.929 1.00 0.00 C ATOM 949 O HIS A 981 9.911 -13.102 -1.934 1.00 0.00 O ATOM 950 CB HIS A 981 9.651 -15.497 0.067 1.00 0.00 C ATOM 951 CG HIS A 981 10.974 -14.834 0.310 1.00 0.00 C ATOM 952 ND1 HIS A 981 12.171 -15.377 -0.100 1.00 0.00 N ATOM 953 CD2 HIS A 981 11.285 -13.671 0.931 1.00 0.00 C ATOM 954 CE1 HIS A 981 13.161 -14.582 0.260 1.00 0.00 C ATOM 955 NE2 HIS A 981 12.650 -13.540 0.888 1.00 0.00 N ATOM 0 H HIS A 981 7.348 -16.276 -0.374 1.00 0.00 H new ATOM 0 HA HIS A 981 8.392 -13.744 0.042 1.00 0.00 H new ATOM 0 HB2 HIS A 981 9.256 -15.851 1.020 1.00 0.00 H new ATOM 0 HB3 HIS A 981 9.809 -16.376 -0.558 1.00 0.00 H new ATOM 0 HD2 HIS A 981 10.588 -12.976 1.377 1.00 0.00 H new ATOM 0 HE1 HIS A 981 14.210 -14.755 0.073 1.00 0.00 H new ATOM 0 HE2 HIS A 981 13.183 -12.763 1.278 1.00 0.00 H new ATOM 964 N ARG A 982 8.715 -14.623 -3.046 1.00 0.00 N ATOM 965 CA ARG A 982 9.138 -14.105 -4.340 1.00 0.00 C ATOM 966 C ARG A 982 8.383 -12.820 -4.695 1.00 0.00 C ATOM 967 O ARG A 982 8.993 -11.770 -4.944 1.00 0.00 O ATOM 968 CB ARG A 982 8.900 -15.149 -5.432 1.00 0.00 C ATOM 969 CG ARG A 982 9.757 -16.393 -5.297 1.00 0.00 C ATOM 970 CD ARG A 982 9.366 -17.442 -6.323 1.00 0.00 C ATOM 971 NE ARG A 982 8.039 -18.002 -6.063 1.00 0.00 N ATOM 972 CZ ARG A 982 6.974 -17.803 -6.836 1.00 0.00 C ATOM 973 NH1 ARG A 982 7.051 -17.000 -7.893 1.00 0.00 N ATOM 974 NH2 ARG A 982 5.823 -18.394 -6.539 1.00 0.00 N ATOM 0 H ARG A 982 8.094 -15.431 -3.086 1.00 0.00 H new ATOM 0 HA ARG A 982 10.202 -13.879 -4.275 1.00 0.00 H new ATOM 0 HB2 ARG A 982 7.850 -15.441 -5.418 1.00 0.00 H new ATOM 0 HB3 ARG A 982 9.091 -14.693 -6.403 1.00 0.00 H new ATOM 0 HG2 ARG A 982 10.807 -16.130 -5.424 1.00 0.00 H new ATOM 0 HG3 ARG A 982 9.650 -16.804 -4.293 1.00 0.00 H new ATOM 0 HD2 ARG A 982 9.382 -16.998 -7.318 1.00 0.00 H new ATOM 0 HD3 ARG A 982 10.104 -18.244 -6.319 1.00 0.00 H new ATOM 0 HE ARG A 982 7.923 -18.584 -5.233 1.00 0.00 H new ATOM 0 HH11 ARG A 982 7.930 -16.532 -8.115 1.00 0.00 H new ATOM 0 HH12 ARG A 982 6.231 -16.852 -8.482 1.00 0.00 H new ATOM 0 HH21 ARG A 982 5.757 -18.999 -5.720 1.00 0.00 H new ATOM 0 HH22 ARG A 982 5.005 -18.243 -7.130 1.00 0.00 H new ATOM 988 N GLU A 983 7.056 -12.880 -4.679 1.00 0.00 N ATOM 989 CA GLU A 983 6.260 -11.714 -5.041 1.00 0.00 C ATOM 990 C GLU A 983 6.272 -10.674 -3.940 1.00 0.00 C ATOM 991 O GLU A 983 6.377 -9.481 -4.203 1.00 0.00 O ATOM 992 CB GLU A 983 4.809 -12.071 -5.313 1.00 0.00 C ATOM 993 CG GLU A 983 4.173 -11.146 -6.331 1.00 0.00 C ATOM 994 CD GLU A 983 4.268 -11.686 -7.747 1.00 0.00 C ATOM 995 OE1 GLU A 983 4.589 -12.885 -7.911 1.00 0.00 O ATOM 996 OE2 GLU A 983 4.018 -10.922 -8.702 1.00 0.00 O ATOM 0 H GLU A 983 6.517 -13.708 -4.424 1.00 0.00 H new ATOM 0 HA GLU A 983 6.717 -11.317 -5.948 1.00 0.00 H new ATOM 0 HB2 GLU A 983 4.751 -13.099 -5.672 1.00 0.00 H new ATOM 0 HB3 GLU A 983 4.245 -12.026 -4.381 1.00 0.00 H new ATOM 0 HG2 GLU A 983 3.125 -10.993 -6.073 1.00 0.00 H new ATOM 0 HG3 GLU A 983 4.658 -10.171 -6.284 1.00 0.00 H new ATOM 1003 N ILE A 984 6.132 -11.127 -2.708 1.00 0.00 N ATOM 1004 CA ILE A 984 6.011 -10.216 -1.589 1.00 0.00 C ATOM 1005 C ILE A 984 7.255 -9.336 -1.519 1.00 0.00 C ATOM 1006 O ILE A 984 7.160 -8.145 -1.253 1.00 0.00 O ATOM 1007 CB ILE A 984 5.775 -10.989 -0.270 1.00 0.00 C ATOM 1008 CG1 ILE A 984 4.947 -10.165 0.733 1.00 0.00 C ATOM 1009 CG2 ILE A 984 7.097 -11.414 0.344 1.00 0.00 C ATOM 1010 CD1 ILE A 984 5.701 -9.041 1.408 1.00 0.00 C ATOM 0 H ILE A 984 6.100 -12.116 -2.459 1.00 0.00 H new ATOM 0 HA ILE A 984 5.142 -9.574 -1.735 1.00 0.00 H new ATOM 0 HB ILE A 984 5.200 -11.883 -0.511 1.00 0.00 H new ATOM 0 HG12 ILE A 984 4.086 -9.745 0.213 1.00 0.00 H new ATOM 0 HG13 ILE A 984 4.560 -10.836 1.500 1.00 0.00 H new ATOM 0 HG21 ILE A 984 6.910 -11.956 1.271 1.00 0.00 H new ATOM 0 HG22 ILE A 984 7.631 -12.060 -0.353 1.00 0.00 H new ATOM 0 HG23 ILE A 984 7.700 -10.531 0.555 1.00 0.00 H new ATOM 0 HD11 ILE A 984 5.036 -8.518 2.096 1.00 0.00 H new ATOM 0 HD12 ILE A 984 6.546 -9.451 1.961 1.00 0.00 H new ATOM 0 HD13 ILE A 984 6.065 -8.343 0.654 1.00 0.00 H new ATOM 1022 N GLU A 985 8.410 -9.927 -1.816 1.00 0.00 N ATOM 1023 CA GLU A 985 9.652 -9.166 -1.906 1.00 0.00 C ATOM 1024 C GLU A 985 9.546 -8.038 -2.932 1.00 0.00 C ATOM 1025 O GLU A 985 9.971 -6.915 -2.658 1.00 0.00 O ATOM 1026 CB GLU A 985 10.828 -10.075 -2.254 1.00 0.00 C ATOM 1027 CG GLU A 985 11.532 -10.654 -1.038 1.00 0.00 C ATOM 1028 CD GLU A 985 12.305 -9.608 -0.260 1.00 0.00 C ATOM 1029 OE1 GLU A 985 13.493 -9.389 -0.576 1.00 0.00 O ATOM 1030 OE2 GLU A 985 11.737 -9.009 0.675 1.00 0.00 O ATOM 0 H GLU A 985 8.511 -10.926 -1.998 1.00 0.00 H new ATOM 0 HA GLU A 985 9.828 -8.723 -0.926 1.00 0.00 H new ATOM 0 HB2 GLU A 985 10.471 -10.893 -2.880 1.00 0.00 H new ATOM 0 HB3 GLU A 985 11.549 -9.511 -2.846 1.00 0.00 H new ATOM 0 HG2 GLU A 985 10.795 -11.118 -0.383 1.00 0.00 H new ATOM 0 HG3 GLU A 985 12.214 -11.441 -1.358 1.00 0.00 H new ATOM 1037 N MET A 986 8.967 -8.321 -4.103 1.00 0.00 N ATOM 1038 CA MET A 986 8.879 -7.295 -5.142 1.00 0.00 C ATOM 1039 C MET A 986 8.021 -6.109 -4.678 1.00 0.00 C ATOM 1040 O MET A 986 8.430 -4.957 -4.795 1.00 0.00 O ATOM 1041 CB MET A 986 8.359 -7.852 -6.485 1.00 0.00 C ATOM 1042 CG MET A 986 6.844 -7.974 -6.590 1.00 0.00 C ATOM 1043 SD MET A 986 6.276 -8.351 -8.261 1.00 0.00 S ATOM 1044 CE MET A 986 6.911 -6.944 -9.166 1.00 0.00 C ATOM 0 H MET A 986 8.564 -9.225 -4.350 1.00 0.00 H new ATOM 0 HA MET A 986 9.896 -6.942 -5.316 1.00 0.00 H new ATOM 0 HB2 MET A 986 8.713 -7.207 -7.290 1.00 0.00 H new ATOM 0 HB3 MET A 986 8.799 -8.836 -6.648 1.00 0.00 H new ATOM 0 HG2 MET A 986 6.501 -8.755 -5.912 1.00 0.00 H new ATOM 0 HG3 MET A 986 6.387 -7.041 -6.259 1.00 0.00 H new ATOM 0 HE1 MET A 986 6.286 -6.762 -10.041 1.00 0.00 H new ATOM 0 HE2 MET A 986 6.901 -6.064 -8.523 1.00 0.00 H new ATOM 0 HE3 MET A 986 7.933 -7.148 -9.486 1.00 0.00 H new ATOM 1054 N ALA A 987 6.849 -6.398 -4.125 1.00 0.00 N ATOM 1055 CA ALA A 987 5.907 -5.365 -3.740 1.00 0.00 C ATOM 1056 C ALA A 987 6.265 -4.712 -2.422 1.00 0.00 C ATOM 1057 O ALA A 987 6.178 -3.505 -2.296 1.00 0.00 O ATOM 1058 CB ALA A 987 4.507 -5.927 -3.676 1.00 0.00 C ATOM 0 H ALA A 987 6.531 -7.348 -3.934 1.00 0.00 H new ATOM 0 HA ALA A 987 5.956 -4.592 -4.507 1.00 0.00 H new ATOM 0 HB1 ALA A 987 3.812 -5.139 -3.386 1.00 0.00 H new ATOM 0 HB2 ALA A 987 4.226 -6.316 -4.655 1.00 0.00 H new ATOM 0 HB3 ALA A 987 4.471 -6.731 -2.941 1.00 0.00 H new ATOM 1064 N GLN A 988 6.649 -5.505 -1.434 1.00 0.00 N ATOM 1065 CA GLN A 988 6.933 -4.968 -0.107 1.00 0.00 C ATOM 1066 C GLN A 988 8.063 -3.945 -0.147 1.00 0.00 C ATOM 1067 O GLN A 988 7.953 -2.867 0.446 1.00 0.00 O ATOM 1068 CB GLN A 988 7.277 -6.081 0.880 1.00 0.00 C ATOM 1069 CG GLN A 988 7.641 -5.576 2.269 1.00 0.00 C ATOM 1070 CD GLN A 988 8.003 -6.696 3.226 1.00 0.00 C ATOM 1071 OE1 GLN A 988 8.503 -7.742 2.819 1.00 0.00 O ATOM 1072 NE2 GLN A 988 7.788 -6.468 4.509 1.00 0.00 N ATOM 0 H GLN A 988 6.771 -6.514 -1.521 1.00 0.00 H new ATOM 0 HA GLN A 988 6.026 -4.467 0.233 1.00 0.00 H new ATOM 0 HB2 GLN A 988 6.427 -6.759 0.961 1.00 0.00 H new ATOM 0 HB3 GLN A 988 8.111 -6.661 0.484 1.00 0.00 H new ATOM 0 HG2 GLN A 988 8.481 -4.885 2.191 1.00 0.00 H new ATOM 0 HG3 GLN A 988 6.802 -5.013 2.677 1.00 0.00 H new ATOM 0 HE21 GLN A 988 7.371 -5.586 4.807 1.00 0.00 H new ATOM 0 HE22 GLN A 988 8.039 -7.173 5.201 1.00 0.00 H new ATOM 1081 N LYS A 989 9.145 -4.271 -0.846 1.00 0.00 N ATOM 1082 CA LYS A 989 10.252 -3.335 -0.982 1.00 0.00 C ATOM 1083 C LYS A 989 9.791 -2.136 -1.800 1.00 0.00 C ATOM 1084 O LYS A 989 10.244 -1.010 -1.594 1.00 0.00 O ATOM 1085 CB LYS A 989 11.462 -3.998 -1.644 1.00 0.00 C ATOM 1086 CG LYS A 989 12.714 -3.135 -1.604 1.00 0.00 C ATOM 1087 CD LYS A 989 13.919 -3.864 -2.169 1.00 0.00 C ATOM 1088 CE LYS A 989 15.203 -3.096 -1.909 1.00 0.00 C ATOM 1089 NZ LYS A 989 15.260 -1.811 -2.658 1.00 0.00 N ATOM 0 H LYS A 989 9.278 -5.164 -1.321 1.00 0.00 H new ATOM 0 HA LYS A 989 10.561 -3.008 0.011 1.00 0.00 H new ATOM 0 HB2 LYS A 989 11.666 -4.946 -1.147 1.00 0.00 H new ATOM 0 HB3 LYS A 989 11.220 -4.228 -2.682 1.00 0.00 H new ATOM 0 HG2 LYS A 989 12.543 -2.220 -2.172 1.00 0.00 H new ATOM 0 HG3 LYS A 989 12.918 -2.838 -0.575 1.00 0.00 H new ATOM 0 HD2 LYS A 989 13.989 -4.855 -1.721 1.00 0.00 H new ATOM 0 HD3 LYS A 989 13.790 -4.007 -3.242 1.00 0.00 H new ATOM 0 HE2 LYS A 989 15.292 -2.895 -0.841 1.00 0.00 H new ATOM 0 HE3 LYS A 989 16.056 -3.714 -2.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 989 16.155 -1.325 -2.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 989 15.202 -2.001 -3.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 989 14.463 -1.207 -2.373 1.00 0.00 H new ATOM 1103 N LEU A 990 8.863 -2.399 -2.711 1.00 0.00 N ATOM 1104 CA LEU A 990 8.238 -1.361 -3.512 1.00 0.00 C ATOM 1105 C LEU A 990 7.397 -0.431 -2.621 1.00 0.00 C ATOM 1106 O LEU A 990 7.443 0.790 -2.771 1.00 0.00 O ATOM 1107 CB LEU A 990 7.415 -2.038 -4.626 1.00 0.00 C ATOM 1108 CG LEU A 990 6.144 -1.336 -5.090 1.00 0.00 C ATOM 1109 CD1 LEU A 990 6.461 0.016 -5.707 1.00 0.00 C ATOM 1110 CD2 LEU A 990 5.405 -2.210 -6.088 1.00 0.00 C ATOM 0 H LEU A 990 8.524 -3.339 -2.914 1.00 0.00 H new ATOM 0 HA LEU A 990 8.989 -0.727 -3.983 1.00 0.00 H new ATOM 0 HB2 LEU A 990 8.064 -2.166 -5.493 1.00 0.00 H new ATOM 0 HB3 LEU A 990 7.142 -3.036 -4.283 1.00 0.00 H new ATOM 0 HG LEU A 990 5.508 -1.168 -4.221 1.00 0.00 H new ATOM 0 HD11 LEU A 990 5.536 0.495 -6.029 1.00 0.00 H new ATOM 0 HD12 LEU A 990 6.957 0.646 -4.968 1.00 0.00 H new ATOM 0 HD13 LEU A 990 7.117 -0.121 -6.567 1.00 0.00 H new ATOM 0 HD21 LEU A 990 4.498 -1.702 -6.415 1.00 0.00 H new ATOM 0 HD22 LEU A 990 6.045 -2.400 -6.949 1.00 0.00 H new ATOM 0 HD23 LEU A 990 5.141 -3.157 -5.617 1.00 0.00 H new ATOM 1122 N LEU A 991 6.689 -1.016 -1.655 1.00 0.00 N ATOM 1123 CA LEU A 991 5.870 -0.256 -0.708 1.00 0.00 C ATOM 1124 C LEU A 991 6.718 0.745 0.043 1.00 0.00 C ATOM 1125 O LEU A 991 6.447 1.942 0.045 1.00 0.00 O ATOM 1126 CB LEU A 991 5.247 -1.177 0.334 1.00 0.00 C ATOM 1127 CG LEU A 991 4.462 -2.356 -0.197 1.00 0.00 C ATOM 1128 CD1 LEU A 991 4.270 -3.381 0.905 1.00 0.00 C ATOM 1129 CD2 LEU A 991 3.118 -1.908 -0.729 1.00 0.00 C ATOM 0 H LEU A 991 6.666 -2.025 -1.506 1.00 0.00 H new ATOM 0 HA LEU A 991 5.096 0.246 -1.289 1.00 0.00 H new ATOM 0 HB2 LEU A 991 6.043 -1.557 0.975 1.00 0.00 H new ATOM 0 HB3 LEU A 991 4.586 -0.582 0.965 1.00 0.00 H new ATOM 0 HG LEU A 991 5.022 -2.807 -1.016 1.00 0.00 H new ATOM 0 HD11 LEU A 991 3.704 -4.229 0.519 1.00 0.00 H new ATOM 0 HD12 LEU A 991 5.243 -3.724 1.256 1.00 0.00 H new ATOM 0 HD13 LEU A 991 3.725 -2.928 1.733 1.00 0.00 H new ATOM 0 HD21 LEU A 991 2.570 -2.771 -1.106 1.00 0.00 H new ATOM 0 HD22 LEU A 991 2.548 -1.438 0.072 1.00 0.00 H new ATOM 0 HD23 LEU A 991 3.267 -1.192 -1.537 1.00 0.00 H new ATOM 1141 N ASN A 992 7.756 0.228 0.693 1.00 0.00 N ATOM 1142 CA ASN A 992 8.638 1.044 1.510 1.00 0.00 C ATOM 1143 C ASN A 992 9.219 2.186 0.698 1.00 0.00 C ATOM 1144 O ASN A 992 9.446 3.270 1.217 1.00 0.00 O ATOM 1145 CB ASN A 992 9.766 0.185 2.096 1.00 0.00 C ATOM 1146 CG ASN A 992 10.789 1.007 2.861 1.00 0.00 C ATOM 1147 OD1 ASN A 992 11.791 1.453 2.300 1.00 0.00 O ATOM 1148 ND2 ASN A 992 10.544 1.212 4.147 1.00 0.00 N ATOM 0 H ASN A 992 8.005 -0.761 0.667 1.00 0.00 H new ATOM 0 HA ASN A 992 8.054 1.465 2.328 1.00 0.00 H new ATOM 0 HB2 ASN A 992 9.338 -0.566 2.761 1.00 0.00 H new ATOM 0 HB3 ASN A 992 10.266 -0.351 1.289 1.00 0.00 H new ATOM 0 HD21 ASN A 992 11.197 1.757 4.710 1.00 0.00 H new ATOM 0 HD22 ASN A 992 9.702 0.825 4.574 1.00 0.00 H new ATOM 1155 N SER A 993 9.418 1.947 -0.584 1.00 0.00 N ATOM 1156 CA SER A 993 10.026 2.935 -1.447 1.00 0.00 C ATOM 1157 C SER A 993 9.047 4.052 -1.811 1.00 0.00 C ATOM 1158 O SER A 993 9.445 5.214 -1.909 1.00 0.00 O ATOM 1159 CB SER A 993 10.563 2.261 -2.706 1.00 0.00 C ATOM 1160 OG SER A 993 11.469 1.221 -2.370 1.00 0.00 O ATOM 0 H SER A 993 9.166 1.075 -1.049 1.00 0.00 H new ATOM 0 HA SER A 993 10.852 3.395 -0.904 1.00 0.00 H new ATOM 0 HB2 SER A 993 9.736 1.856 -3.289 1.00 0.00 H new ATOM 0 HB3 SER A 993 11.064 2.998 -3.334 1.00 0.00 H new ATOM 0 HG SER A 993 10.996 0.362 -2.371 1.00 0.00 H new ATOM 1166 N ASP A 994 7.768 3.725 -2.000 1.00 0.00 N ATOM 1167 CA ASP A 994 6.824 4.736 -2.477 1.00 0.00 C ATOM 1168 C ASP A 994 5.931 5.293 -1.367 1.00 0.00 C ATOM 1169 O ASP A 994 5.556 6.468 -1.415 1.00 0.00 O ATOM 1170 CB ASP A 994 6.006 4.224 -3.662 1.00 0.00 C ATOM 1171 CG ASP A 994 6.824 4.232 -4.942 1.00 0.00 C ATOM 1172 OD1 ASP A 994 7.359 5.307 -5.309 1.00 0.00 O ATOM 1173 OD2 ASP A 994 6.953 3.174 -5.590 1.00 0.00 O ATOM 0 H ASP A 994 7.371 2.800 -1.837 1.00 0.00 H new ATOM 0 HA ASP A 994 7.425 5.575 -2.827 1.00 0.00 H new ATOM 0 HB2 ASP A 994 5.658 3.212 -3.456 1.00 0.00 H new ATOM 0 HB3 ASP A 994 5.120 4.845 -3.790 1.00 0.00 H new ATOM 1178 N LEU A 995 5.603 4.485 -0.356 1.00 0.00 N ATOM 1179 CA LEU A 995 4.972 5.028 0.849 1.00 0.00 C ATOM 1180 C LEU A 995 5.917 6.065 1.462 1.00 0.00 C ATOM 1181 O LEU A 995 5.489 7.142 1.876 1.00 0.00 O ATOM 1182 CB LEU A 995 4.593 3.905 1.863 1.00 0.00 C ATOM 1183 CG LEU A 995 4.106 4.340 3.261 1.00 0.00 C ATOM 1184 CD1 LEU A 995 5.272 4.684 4.179 1.00 0.00 C ATOM 1185 CD2 LEU A 995 3.139 5.508 3.161 1.00 0.00 C ATOM 0 H LEU A 995 5.759 3.477 -0.345 1.00 0.00 H new ATOM 0 HA LEU A 995 4.032 5.511 0.583 1.00 0.00 H new ATOM 0 HB2 LEU A 995 3.813 3.293 1.411 1.00 0.00 H new ATOM 0 HB3 LEU A 995 5.464 3.264 1.995 1.00 0.00 H new ATOM 0 HG LEU A 995 3.578 3.494 3.700 1.00 0.00 H new ATOM 0 HD11 LEU A 995 4.890 4.986 5.154 1.00 0.00 H new ATOM 0 HD12 LEU A 995 5.914 3.811 4.295 1.00 0.00 H new ATOM 0 HD13 LEU A 995 5.847 5.502 3.745 1.00 0.00 H new ATOM 0 HD21 LEU A 995 2.811 5.795 4.160 1.00 0.00 H new ATOM 0 HD22 LEU A 995 3.637 6.353 2.686 1.00 0.00 H new ATOM 0 HD23 LEU A 995 2.275 5.215 2.565 1.00 0.00 H new ATOM 1197 N ALA A 996 7.211 5.751 1.471 1.00 0.00 N ATOM 1198 CA ALA A 996 8.211 6.671 2.006 1.00 0.00 C ATOM 1199 C ALA A 996 8.267 7.953 1.193 1.00 0.00 C ATOM 1200 O ALA A 996 8.346 9.043 1.757 1.00 0.00 O ATOM 1201 CB ALA A 996 9.584 6.030 2.067 1.00 0.00 C ATOM 0 H ALA A 996 7.589 4.873 1.116 1.00 0.00 H new ATOM 0 HA ALA A 996 7.907 6.918 3.023 1.00 0.00 H new ATOM 0 HB1 ALA A 996 10.302 6.745 2.470 1.00 0.00 H new ATOM 0 HB2 ALA A 996 9.547 5.151 2.710 1.00 0.00 H new ATOM 0 HB3 ALA A 996 9.892 5.733 1.064 1.00 0.00 H new ATOM 1207 N GLU A 997 8.259 7.826 -0.127 1.00 0.00 N ATOM 1208 CA GLU A 997 8.160 8.993 -0.989 1.00 0.00 C ATOM 1209 C GLU A 997 6.974 9.855 -0.627 1.00 0.00 C ATOM 1210 O GLU A 997 7.102 11.068 -0.559 1.00 0.00 O ATOM 1211 CB GLU A 997 8.064 8.597 -2.447 1.00 0.00 C ATOM 1212 CG GLU A 997 9.409 8.293 -3.055 1.00 0.00 C ATOM 1213 CD GLU A 997 10.226 9.551 -3.274 1.00 0.00 C ATOM 1214 OE1 GLU A 997 9.970 10.264 -4.266 1.00 0.00 O ATOM 1215 OE2 GLU A 997 11.114 9.845 -2.449 1.00 0.00 O ATOM 0 H GLU A 997 8.319 6.935 -0.620 1.00 0.00 H new ATOM 0 HA GLU A 997 9.072 9.570 -0.836 1.00 0.00 H new ATOM 0 HB2 GLU A 997 7.421 7.722 -2.540 1.00 0.00 H new ATOM 0 HB3 GLU A 997 7.590 9.402 -3.008 1.00 0.00 H new ATOM 0 HG2 GLU A 997 9.957 7.613 -2.403 1.00 0.00 H new ATOM 0 HG3 GLU A 997 9.270 7.780 -4.007 1.00 0.00 H new ATOM 1222 N LEU A 998 5.830 9.243 -0.367 1.00 0.00 N ATOM 1223 CA LEU A 998 4.660 10.022 -0.003 1.00 0.00 C ATOM 1224 C LEU A 998 4.878 10.672 1.349 1.00 0.00 C ATOM 1225 O LEU A 998 4.365 11.756 1.619 1.00 0.00 O ATOM 1226 CB LEU A 998 3.388 9.176 0.012 1.00 0.00 C ATOM 1227 CG LEU A 998 2.397 9.492 -1.113 1.00 0.00 C ATOM 1228 CD1 LEU A 998 1.050 8.849 -0.836 1.00 0.00 C ATOM 1229 CD2 LEU A 998 2.236 10.995 -1.286 1.00 0.00 C ATOM 0 H LEU A 998 5.688 8.233 -0.400 1.00 0.00 H new ATOM 0 HA LEU A 998 4.524 10.793 -0.762 1.00 0.00 H new ATOM 0 HB2 LEU A 998 3.666 8.124 -0.052 1.00 0.00 H new ATOM 0 HB3 LEU A 998 2.886 9.315 0.970 1.00 0.00 H new ATOM 0 HG LEU A 998 2.796 9.079 -2.039 1.00 0.00 H new ATOM 0 HD11 LEU A 998 0.360 9.085 -1.646 1.00 0.00 H new ATOM 0 HD12 LEU A 998 1.170 7.768 -0.766 1.00 0.00 H new ATOM 0 HD13 LEU A 998 0.651 9.231 0.103 1.00 0.00 H new ATOM 0 HD21 LEU A 998 1.528 11.195 -2.090 1.00 0.00 H new ATOM 0 HD22 LEU A 998 1.864 11.430 -0.358 1.00 0.00 H new ATOM 0 HD23 LEU A 998 3.201 11.438 -1.534 1.00 0.00 H new ATOM 1241 N ILE A 999 5.679 10.025 2.180 1.00 0.00 N ATOM 1242 CA ILE A 999 6.016 10.571 3.493 1.00 0.00 C ATOM 1243 C ILE A 999 6.845 11.844 3.328 1.00 0.00 C ATOM 1244 O ILE A 999 6.614 12.843 4.000 1.00 0.00 O ATOM 1245 CB ILE A 999 6.791 9.553 4.365 1.00 0.00 C ATOM 1246 CG1 ILE A 999 5.931 8.319 4.653 1.00 0.00 C ATOM 1247 CG2 ILE A 999 7.254 10.189 5.670 1.00 0.00 C ATOM 1248 CD1 ILE A 999 4.628 8.624 5.364 1.00 0.00 C ATOM 0 H ILE A 999 6.109 9.123 1.973 1.00 0.00 H new ATOM 0 HA ILE A 999 5.080 10.799 4.003 1.00 0.00 H new ATOM 0 HB ILE A 999 7.673 9.240 3.805 1.00 0.00 H new ATOM 0 HG12 ILE A 999 5.710 7.816 3.712 1.00 0.00 H new ATOM 0 HG13 ILE A 999 6.508 7.621 5.259 1.00 0.00 H new ATOM 0 HG21 ILE A 999 7.795 9.451 6.262 1.00 0.00 H new ATOM 0 HG22 ILE A 999 7.910 11.031 5.451 1.00 0.00 H new ATOM 0 HG23 ILE A 999 6.388 10.540 6.231 1.00 0.00 H new ATOM 0 HD11 ILE A 999 4.079 7.697 5.530 1.00 0.00 H new ATOM 0 HD12 ILE A 999 4.839 9.098 6.323 1.00 0.00 H new ATOM 0 HD13 ILE A 999 4.028 9.296 4.751 1.00 0.00 H new ATOM 1260 N ASN A1000 7.801 11.805 2.414 1.00 0.00 N ATOM 1261 CA ASN A1000 8.626 12.972 2.108 1.00 0.00 C ATOM 1262 C ASN A1000 7.887 13.931 1.204 1.00 0.00 C ATOM 1263 O ASN A1000 8.315 15.054 1.039 1.00 0.00 O ATOM 1264 CB ASN A1000 9.926 12.553 1.415 1.00 0.00 C ATOM 1265 CG ASN A1000 10.707 11.498 2.171 1.00 0.00 C ATOM 1266 OD1 ASN A1000 10.708 11.460 3.400 1.00 0.00 O ATOM 1267 ND2 ASN A1000 11.375 10.624 1.434 1.00 0.00 N ATOM 0 H ASN A1000 8.029 10.975 1.866 1.00 0.00 H new ATOM 0 HA ASN A1000 8.856 13.463 3.053 1.00 0.00 H new ATOM 0 HB2 ASN A1000 9.691 12.175 0.420 1.00 0.00 H new ATOM 0 HB3 ASN A1000 10.556 13.433 1.282 1.00 0.00 H new ATOM 0 HD21 ASN A1000 11.916 9.885 1.884 1.00 0.00 H new ATOM 0 HD22 ASN A1000 11.349 10.689 0.416 1.00 0.00 H new ATOM 1274 N LYS A1001 6.809 13.470 0.593 1.00 0.00 N ATOM 1275 CA LYS A1001 6.001 14.318 -0.276 1.00 0.00 C ATOM 1276 C LYS A1001 4.941 15.079 0.518 1.00 0.00 C ATOM 1277 O LYS A1001 4.640 16.230 0.208 1.00 0.00 O ATOM 1278 CB LYS A1001 5.390 13.505 -1.417 1.00 0.00 C ATOM 1279 CG LYS A1001 6.222 13.550 -2.699 1.00 0.00 C ATOM 1280 CD LYS A1001 7.696 13.265 -2.443 1.00 0.00 C ATOM 1281 CE LYS A1001 8.544 13.453 -3.693 1.00 0.00 C ATOM 1282 NZ LYS A1001 8.338 12.369 -4.691 1.00 0.00 N ATOM 0 H LYS A1001 6.470 12.512 0.681 1.00 0.00 H new ATOM 0 HA LYS A1001 6.656 15.065 -0.724 1.00 0.00 H new ATOM 0 HB2 LYS A1001 5.281 12.468 -1.098 1.00 0.00 H new ATOM 0 HB3 LYS A1001 4.389 13.881 -1.627 1.00 0.00 H new ATOM 0 HG2 LYS A1001 5.831 12.821 -3.409 1.00 0.00 H new ATOM 0 HG3 LYS A1001 6.119 14.532 -3.162 1.00 0.00 H new ATOM 0 HD2 LYS A1001 8.061 13.925 -1.656 1.00 0.00 H new ATOM 0 HD3 LYS A1001 7.809 12.244 -2.080 1.00 0.00 H new ATOM 0 HE2 LYS A1001 8.304 14.413 -4.150 1.00 0.00 H new ATOM 0 HE3 LYS A1001 9.597 13.488 -3.412 1.00 0.00 H new ATOM 0 HZ1 LYS A1001 8.912 12.562 -5.536 1.00 0.00 H new ATOM 0 HZ2 LYS A1001 8.624 11.458 -4.278 1.00 0.00 H new ATOM 0 HZ3 LYS A1001 7.333 12.328 -4.957 1.00 0.00 H new ATOM 1296 N MET A1002 4.371 14.436 1.536 1.00 0.00 N ATOM 1297 CA MET A1002 3.527 15.127 2.491 1.00 0.00 C ATOM 1298 C MET A1002 4.399 16.103 3.245 1.00 0.00 C ATOM 1299 O MET A1002 4.009 17.236 3.521 1.00 0.00 O ATOM 1300 CB MET A1002 2.875 14.138 3.470 1.00 0.00 C ATOM 1301 CG MET A1002 3.828 13.554 4.507 1.00 0.00 C ATOM 1302 SD MET A1002 3.044 12.373 5.617 1.00 0.00 S ATOM 1303 CE MET A1002 4.370 12.069 6.779 1.00 0.00 C ATOM 0 H MET A1002 4.482 13.438 1.715 1.00 0.00 H new ATOM 0 HA MET A1002 2.723 15.645 1.969 1.00 0.00 H new ATOM 0 HB2 MET A1002 2.060 14.643 3.988 1.00 0.00 H new ATOM 0 HB3 MET A1002 2.433 13.321 2.900 1.00 0.00 H new ATOM 0 HG2 MET A1002 4.655 13.064 3.994 1.00 0.00 H new ATOM 0 HG3 MET A1002 4.254 14.366 5.096 1.00 0.00 H new ATOM 0 HE1 MET A1002 4.406 11.007 7.021 1.00 0.00 H new ATOM 0 HE2 MET A1002 5.319 12.373 6.336 1.00 0.00 H new ATOM 0 HE3 MET A1002 4.195 12.642 7.689 1.00 0.00 H new ATOM 1313 N LYS A1003 5.604 15.633 3.542 1.00 0.00 N ATOM 1314 CA LYS A1003 6.624 16.435 4.157 1.00 0.00 C ATOM 1315 C LYS A1003 6.974 17.571 3.218 1.00 0.00 C ATOM 1316 O LYS A1003 6.919 18.710 3.604 1.00 0.00 O ATOM 1317 CB LYS A1003 7.843 15.552 4.452 1.00 0.00 C ATOM 1318 CG LYS A1003 8.927 16.210 5.285 1.00 0.00 C ATOM 1319 CD LYS A1003 9.925 15.174 5.778 1.00 0.00 C ATOM 1320 CE LYS A1003 10.886 15.746 6.809 1.00 0.00 C ATOM 1321 NZ LYS A1003 11.862 16.691 6.211 1.00 0.00 N ATOM 0 H LYS A1003 5.892 14.672 3.356 1.00 0.00 H new ATOM 0 HA LYS A1003 6.277 16.858 5.100 1.00 0.00 H new ATOM 0 HB2 LYS A1003 7.505 14.653 4.968 1.00 0.00 H new ATOM 0 HB3 LYS A1003 8.278 15.232 3.505 1.00 0.00 H new ATOM 0 HG2 LYS A1003 9.442 16.965 4.691 1.00 0.00 H new ATOM 0 HG3 LYS A1003 8.478 16.724 6.135 1.00 0.00 H new ATOM 0 HD2 LYS A1003 9.387 14.332 6.213 1.00 0.00 H new ATOM 0 HD3 LYS A1003 10.492 14.786 4.931 1.00 0.00 H new ATOM 0 HE2 LYS A1003 10.318 16.258 7.586 1.00 0.00 H new ATOM 0 HE3 LYS A1003 11.424 14.930 7.292 1.00 0.00 H new ATOM 0 HZ1 LYS A1003 12.666 16.817 6.859 1.00 0.00 H new ATOM 0 HZ2 LYS A1003 12.204 16.310 5.306 1.00 0.00 H new ATOM 0 HZ3 LYS A1003 11.401 17.609 6.049 1.00 0.00 H new ATOM 1335 N LEU A1004 7.303 17.218 1.979 1.00 0.00 N ATOM 1336 CA LEU A1004 7.628 18.167 0.905 1.00 0.00 C ATOM 1337 C LEU A1004 6.604 19.289 0.754 1.00 0.00 C ATOM 1338 O LEU A1004 6.957 20.468 0.793 1.00 0.00 O ATOM 1339 CB LEU A1004 7.711 17.408 -0.417 1.00 0.00 C ATOM 1340 CG LEU A1004 8.268 18.186 -1.603 1.00 0.00 C ATOM 1341 CD1 LEU A1004 9.764 18.406 -1.444 1.00 0.00 C ATOM 1342 CD2 LEU A1004 7.966 17.447 -2.892 1.00 0.00 C ATOM 0 H LEU A1004 7.354 16.244 1.681 1.00 0.00 H new ATOM 0 HA LEU A1004 8.578 18.630 1.171 1.00 0.00 H new ATOM 0 HB2 LEU A1004 8.329 16.523 -0.266 1.00 0.00 H new ATOM 0 HB3 LEU A1004 6.711 17.058 -0.675 1.00 0.00 H new ATOM 0 HG LEU A1004 7.788 19.164 -1.640 1.00 0.00 H new ATOM 0 HD11 LEU A1004 10.143 18.963 -2.301 1.00 0.00 H new ATOM 0 HD12 LEU A1004 9.954 18.971 -0.531 1.00 0.00 H new ATOM 0 HD13 LEU A1004 10.269 17.442 -1.386 1.00 0.00 H new ATOM 0 HD21 LEU A1004 8.367 18.009 -3.736 1.00 0.00 H new ATOM 0 HD22 LEU A1004 8.426 16.459 -2.862 1.00 0.00 H new ATOM 0 HD23 LEU A1004 6.887 17.341 -3.006 1.00 0.00 H new ATOM 1354 N ALA A1005 5.347 18.926 0.549 1.00 0.00 N ATOM 1355 CA ALA A1005 4.293 19.914 0.371 1.00 0.00 C ATOM 1356 C ALA A1005 4.210 20.819 1.592 1.00 0.00 C ATOM 1357 O ALA A1005 4.166 22.046 1.482 1.00 0.00 O ATOM 1358 CB ALA A1005 2.963 19.222 0.118 1.00 0.00 C ATOM 0 H ALA A1005 5.032 17.957 0.502 1.00 0.00 H new ATOM 0 HA ALA A1005 4.528 20.531 -0.496 1.00 0.00 H new ATOM 0 HB1 ALA A1005 2.182 19.971 -0.014 1.00 0.00 H new ATOM 0 HB2 ALA A1005 3.036 18.612 -0.782 1.00 0.00 H new ATOM 0 HB3 ALA A1005 2.716 18.586 0.968 1.00 0.00 H new ATOM 1364 N GLN A1006 4.241 20.198 2.754 1.00 0.00 N ATOM 1365 CA GLN A1006 4.166 20.911 4.015 1.00 0.00 C ATOM 1366 C GLN A1006 5.517 21.571 4.329 1.00 0.00 C ATOM 1367 O GLN A1006 5.631 22.411 5.223 1.00 0.00 O ATOM 1368 CB GLN A1006 3.726 19.916 5.103 1.00 0.00 C ATOM 1369 CG GLN A1006 4.846 19.257 5.902 1.00 0.00 C ATOM 1370 CD GLN A1006 5.234 20.037 7.143 1.00 0.00 C ATOM 1371 OE1 GLN A1006 4.421 20.761 7.719 1.00 0.00 O ATOM 1372 NE2 GLN A1006 6.470 19.870 7.585 1.00 0.00 N ATOM 0 H GLN A1006 4.319 19.186 2.852 1.00 0.00 H new ATOM 0 HA GLN A1006 3.433 21.716 3.967 1.00 0.00 H new ATOM 0 HB2 GLN A1006 3.069 20.437 5.799 1.00 0.00 H new ATOM 0 HB3 GLN A1006 3.134 19.132 4.632 1.00 0.00 H new ATOM 0 HG2 GLN A1006 4.534 18.254 6.194 1.00 0.00 H new ATOM 0 HG3 GLN A1006 5.722 19.145 5.263 1.00 0.00 H new ATOM 0 HE21 GLN A1006 7.114 19.262 7.080 1.00 0.00 H new ATOM 0 HE22 GLN A1006 6.778 20.350 8.431 1.00 0.00 H new ATOM 1381 N GLN A1007 6.527 21.195 3.556 1.00 0.00 N ATOM 1382 CA GLN A1007 7.891 21.661 3.742 1.00 0.00 C ATOM 1383 C GLN A1007 8.068 23.040 3.116 1.00 0.00 C ATOM 1384 O GLN A1007 8.724 23.911 3.687 1.00 0.00 O ATOM 1385 CB GLN A1007 8.859 20.647 3.107 1.00 0.00 C ATOM 1386 CG GLN A1007 10.203 20.512 3.801 1.00 0.00 C ATOM 1387 CD GLN A1007 10.146 19.725 5.103 1.00 0.00 C ATOM 1388 OE1 GLN A1007 11.154 19.170 5.535 1.00 0.00 O ATOM 1389 NE2 GLN A1007 8.971 19.592 5.703 1.00 0.00 N ATOM 0 H GLN A1007 6.419 20.550 2.773 1.00 0.00 H new ATOM 0 HA GLN A1007 8.108 21.745 4.807 1.00 0.00 H new ATOM 0 HB2 GLN A1007 8.377 19.670 3.091 1.00 0.00 H new ATOM 0 HB3 GLN A1007 9.031 20.934 2.070 1.00 0.00 H new ATOM 0 HG2 GLN A1007 10.904 20.025 3.123 1.00 0.00 H new ATOM 0 HG3 GLN A1007 10.597 21.507 4.006 1.00 0.00 H new ATOM 0 HE21 GLN A1007 8.149 20.063 5.325 1.00 0.00 H new ATOM 0 HE22 GLN A1007 8.889 19.019 6.543 1.00 0.00 H new ATOM 1398 N TYR A1008 7.470 23.234 1.948 1.00 0.00 N ATOM 1399 CA TYR A1008 7.513 24.528 1.273 1.00 0.00 C ATOM 1400 C TYR A1008 6.106 25.110 1.181 1.00 0.00 C ATOM 1401 O TYR A1008 5.824 25.933 0.312 1.00 0.00 O ATOM 1402 CB TYR A1008 8.074 24.399 -0.138 1.00 0.00 C ATOM 1403 CG TYR A1008 9.282 23.499 -0.291 1.00 0.00 C ATOM 1404 CD1 TYR A1008 10.459 23.709 0.416 1.00 0.00 C ATOM 1405 CD2 TYR A1008 9.240 22.456 -1.190 1.00 0.00 C ATOM 1406 CE1 TYR A1008 11.557 22.887 0.222 1.00 0.00 C ATOM 1407 CE2 TYR A1008 10.322 21.638 -1.402 1.00 0.00 C ATOM 1408 CZ TYR A1008 11.482 21.852 -0.690 1.00 0.00 C ATOM 1409 OH TYR A1008 12.572 21.039 -0.895 1.00 0.00 O ATOM 0 H TYR A1008 6.949 22.514 1.447 1.00 0.00 H new ATOM 0 HA TYR A1008 8.161 25.183 1.855 1.00 0.00 H new ATOM 0 HB2 TYR A1008 7.283 24.027 -0.790 1.00 0.00 H new ATOM 0 HB3 TYR A1008 8.339 25.394 -0.495 1.00 0.00 H new ATOM 0 HD1 TYR A1008 10.519 24.522 1.125 1.00 0.00 H new ATOM 0 HD2 TYR A1008 8.330 22.277 -1.744 1.00 0.00 H new ATOM 0 HE1 TYR A1008 12.466 23.054 0.780 1.00 0.00 H new ATOM 0 HE2 TYR A1008 10.264 20.834 -2.121 1.00 0.00 H new ATOM 0 HH TYR A1008 12.352 20.361 -1.567 1.00 0.00 H new ATOM 1496 N GLN A1014 4.394 25.813 -4.259 1.00 0.00 N ATOM 1497 CA GLN A1014 3.855 24.624 -3.608 1.00 0.00 C ATOM 1498 C GLN A1014 3.447 23.585 -4.647 1.00 0.00 C ATOM 1499 O GLN A1014 3.788 22.422 -4.516 1.00 0.00 O ATOM 1500 CB GLN A1014 2.648 24.998 -2.728 1.00 0.00 C ATOM 1501 CG GLN A1014 2.256 23.955 -1.679 1.00 0.00 C ATOM 1502 CD GLN A1014 1.527 22.770 -2.268 1.00 0.00 C ATOM 1503 OE1 GLN A1014 0.308 22.770 -2.396 1.00 0.00 O ATOM 1504 NE2 GLN A1014 2.264 21.745 -2.619 1.00 0.00 N ATOM 0 HA GLN A1014 4.632 24.195 -2.975 1.00 0.00 H new ATOM 0 HB2 GLN A1014 2.867 25.937 -2.219 1.00 0.00 H new ATOM 0 HB3 GLN A1014 1.790 25.179 -3.375 1.00 0.00 H new ATOM 0 HG2 GLN A1014 3.154 23.605 -1.169 1.00 0.00 H new ATOM 0 HG3 GLN A1014 1.624 24.425 -0.926 1.00 0.00 H new ATOM 0 HE21 GLN A1014 3.276 21.780 -2.498 1.00 0.00 H new ATOM 0 HE22 GLN A1014 1.825 20.913 -3.013 1.00 0.00 H new ATOM 1513 N GLN A1015 2.769 24.017 -5.701 1.00 0.00 N ATOM 1514 CA GLN A1015 2.193 23.095 -6.680 1.00 0.00 C ATOM 1515 C GLN A1015 3.234 22.133 -7.270 1.00 0.00 C ATOM 1516 O GLN A1015 2.907 20.991 -7.570 1.00 0.00 O ATOM 1517 CB GLN A1015 1.506 23.873 -7.781 1.00 0.00 C ATOM 1518 CG GLN A1015 0.290 24.653 -7.308 1.00 0.00 C ATOM 1519 CD GLN A1015 -0.488 25.281 -8.448 1.00 0.00 C ATOM 1520 OE1 GLN A1015 -0.532 24.749 -9.556 1.00 0.00 O ATOM 1521 NE2 GLN A1015 -1.111 26.420 -8.182 1.00 0.00 N ATOM 0 H GLN A1015 2.602 25.003 -5.904 1.00 0.00 H new ATOM 0 HA GLN A1015 1.461 22.481 -6.155 1.00 0.00 H new ATOM 0 HB2 GLN A1015 2.221 24.565 -8.226 1.00 0.00 H new ATOM 0 HB3 GLN A1015 1.201 23.182 -8.567 1.00 0.00 H new ATOM 0 HG2 GLN A1015 -0.368 23.987 -6.749 1.00 0.00 H new ATOM 0 HG3 GLN A1015 0.611 25.435 -6.620 1.00 0.00 H new ATOM 0 HE21 GLN A1015 -1.050 26.829 -7.250 1.00 0.00 H new ATOM 0 HE22 GLN A1015 -1.652 26.888 -8.910 1.00 0.00 H new ATOM 1530 N GLU A1016 4.470 22.601 -7.451 1.00 0.00 N ATOM 1531 CA GLU A1016 5.598 21.711 -7.769 1.00 0.00 C ATOM 1532 C GLU A1016 5.626 20.513 -6.829 1.00 0.00 C ATOM 1533 O GLU A1016 5.677 19.358 -7.251 1.00 0.00 O ATOM 1534 CB GLU A1016 6.915 22.479 -7.604 1.00 0.00 C ATOM 1535 CG GLU A1016 8.132 21.588 -7.387 1.00 0.00 C ATOM 1536 CD GLU A1016 8.862 21.267 -8.676 1.00 0.00 C ATOM 1537 OE1 GLU A1016 8.365 20.435 -9.466 1.00 0.00 O ATOM 1538 OE2 GLU A1016 9.938 21.858 -8.911 1.00 0.00 O ATOM 0 H GLU A1016 4.719 23.588 -7.384 1.00 0.00 H new ATOM 0 HA GLU A1016 5.477 21.363 -8.795 1.00 0.00 H new ATOM 0 HB2 GLU A1016 7.080 23.091 -8.491 1.00 0.00 H new ATOM 0 HB3 GLU A1016 6.822 23.161 -6.759 1.00 0.00 H new ATOM 0 HG2 GLU A1016 8.819 22.080 -6.699 1.00 0.00 H new ATOM 0 HG3 GLU A1016 7.816 20.659 -6.912 1.00 0.00 H new ATOM 1545 N TYR A1017 5.550 20.817 -5.554 1.00 0.00 N ATOM 1546 CA TYR A1017 5.660 19.831 -4.501 1.00 0.00 C ATOM 1547 C TYR A1017 4.343 19.093 -4.353 1.00 0.00 C ATOM 1548 O TYR A1017 4.284 17.997 -3.806 1.00 0.00 O ATOM 1549 CB TYR A1017 6.068 20.554 -3.221 1.00 0.00 C ATOM 1550 CG TYR A1017 7.148 21.563 -3.519 1.00 0.00 C ATOM 1551 CD1 TYR A1017 8.360 21.151 -4.060 1.00 0.00 C ATOM 1552 CD2 TYR A1017 6.942 22.922 -3.327 1.00 0.00 C ATOM 1553 CE1 TYR A1017 9.339 22.064 -4.393 1.00 0.00 C ATOM 1554 CE2 TYR A1017 7.916 23.846 -3.668 1.00 0.00 C ATOM 1555 CZ TYR A1017 9.113 23.410 -4.197 1.00 0.00 C ATOM 1556 OH TYR A1017 10.084 24.320 -4.543 1.00 0.00 O ATOM 0 H TYR A1017 5.408 21.768 -5.213 1.00 0.00 H new ATOM 0 HA TYR A1017 6.417 19.083 -4.735 1.00 0.00 H new ATOM 0 HB2 TYR A1017 5.203 21.053 -2.784 1.00 0.00 H new ATOM 0 HB3 TYR A1017 6.425 19.834 -2.485 1.00 0.00 H new ATOM 0 HD1 TYR A1017 8.538 20.098 -4.222 1.00 0.00 H new ATOM 0 HD2 TYR A1017 6.008 23.264 -2.905 1.00 0.00 H new ATOM 0 HE1 TYR A1017 10.278 21.726 -4.805 1.00 0.00 H new ATOM 0 HE2 TYR A1017 7.739 24.901 -3.521 1.00 0.00 H new ATOM 0 HH TYR A1017 9.769 25.226 -4.343 1.00 0.00 H new ATOM 1566 N LYS A1018 3.288 19.720 -4.856 1.00 0.00 N ATOM 1567 CA LYS A1018 1.995 19.072 -4.993 1.00 0.00 C ATOM 1568 C LYS A1018 2.061 18.053 -6.131 1.00 0.00 C ATOM 1569 O LYS A1018 1.429 17.001 -6.074 1.00 0.00 O ATOM 1570 CB LYS A1018 0.909 20.117 -5.280 1.00 0.00 C ATOM 1571 CG LYS A1018 -0.515 19.598 -5.140 1.00 0.00 C ATOM 1572 CD LYS A1018 -1.525 20.540 -5.792 1.00 0.00 C ATOM 1573 CE LYS A1018 -1.508 21.938 -5.176 1.00 0.00 C ATOM 1574 NZ LYS A1018 -2.069 21.966 -3.796 1.00 0.00 N ATOM 0 H LYS A1018 3.306 20.687 -5.179 1.00 0.00 H new ATOM 0 HA LYS A1018 1.745 18.560 -4.064 1.00 0.00 H new ATOM 0 HB2 LYS A1018 1.044 20.959 -4.602 1.00 0.00 H new ATOM 0 HB3 LYS A1018 1.046 20.498 -6.292 1.00 0.00 H new ATOM 0 HG2 LYS A1018 -0.590 18.611 -5.597 1.00 0.00 H new ATOM 0 HG3 LYS A1018 -0.757 19.479 -4.084 1.00 0.00 H new ATOM 0 HD2 LYS A1018 -1.311 20.614 -6.858 1.00 0.00 H new ATOM 0 HD3 LYS A1018 -2.525 20.117 -5.696 1.00 0.00 H new ATOM 0 HE2 LYS A1018 -0.483 22.309 -5.155 1.00 0.00 H new ATOM 0 HE3 LYS A1018 -2.079 22.617 -5.810 1.00 0.00 H new ATOM 0 HZ1 LYS A1018 -2.836 22.667 -3.747 1.00 0.00 H new ATOM 0 HZ2 LYS A1018 -2.443 21.026 -3.554 1.00 0.00 H new ATOM 0 HZ3 LYS A1018 -1.320 22.224 -3.122 1.00 0.00 H new ATOM 1588 N LYS A1019 2.859 18.365 -7.150 1.00 0.00 N ATOM 1589 CA LYS A1019 3.011 17.490 -8.305 1.00 0.00 C ATOM 1590 C LYS A1019 3.863 16.284 -7.952 1.00 0.00 C ATOM 1591 O LYS A1019 3.442 15.143 -8.134 1.00 0.00 O ATOM 1592 CB LYS A1019 3.642 18.247 -9.474 1.00 0.00 C ATOM 1593 CG LYS A1019 2.638 18.980 -10.352 1.00 0.00 C ATOM 1594 CD LYS A1019 1.828 18.007 -11.198 1.00 0.00 C ATOM 1595 CE LYS A1019 2.731 17.177 -12.099 1.00 0.00 C ATOM 1596 NZ LYS A1019 1.963 16.237 -12.958 1.00 0.00 N ATOM 0 H LYS A1019 3.411 19.221 -7.197 1.00 0.00 H new ATOM 0 HA LYS A1019 2.020 17.147 -8.602 1.00 0.00 H new ATOM 0 HB2 LYS A1019 4.360 18.967 -9.082 1.00 0.00 H new ATOM 0 HB3 LYS A1019 4.201 17.543 -10.090 1.00 0.00 H new ATOM 0 HG2 LYS A1019 1.966 19.568 -9.727 1.00 0.00 H new ATOM 0 HG3 LYS A1019 3.163 19.680 -11.002 1.00 0.00 H new ATOM 0 HD2 LYS A1019 1.253 17.347 -10.548 1.00 0.00 H new ATOM 0 HD3 LYS A1019 1.111 18.559 -11.806 1.00 0.00 H new ATOM 0 HE2 LYS A1019 3.321 17.842 -12.730 1.00 0.00 H new ATOM 0 HE3 LYS A1019 3.433 16.613 -11.485 1.00 0.00 H new ATOM 0 HZ1 LYS A1019 2.621 15.694 -13.553 1.00 0.00 H new ATOM 0 HZ2 LYS A1019 1.419 15.584 -12.358 1.00 0.00 H new ATOM 0 HZ3 LYS A1019 1.311 16.775 -13.564 1.00 0.00 H new ATOM 1610 N GLN A1020 5.074 16.549 -7.475 1.00 0.00 N ATOM 1611 CA GLN A1020 5.943 15.496 -6.954 1.00 0.00 C ATOM 1612 C GLN A1020 5.197 14.634 -5.930 1.00 0.00 C ATOM 1613 O GLN A1020 5.460 13.436 -5.805 1.00 0.00 O ATOM 1614 CB GLN A1020 7.205 16.092 -6.320 1.00 0.00 C ATOM 1615 CG GLN A1020 7.882 17.155 -7.178 1.00 0.00 C ATOM 1616 CD GLN A1020 9.253 17.544 -6.658 1.00 0.00 C ATOM 1617 OE1 GLN A1020 9.546 17.405 -5.474 1.00 0.00 O ATOM 1618 NE2 GLN A1020 10.100 18.060 -7.534 1.00 0.00 N ATOM 0 H GLN A1020 5.478 17.485 -7.438 1.00 0.00 H new ATOM 0 HA GLN A1020 6.241 14.865 -7.791 1.00 0.00 H new ATOM 0 HB2 GLN A1020 6.944 16.529 -5.356 1.00 0.00 H new ATOM 0 HB3 GLN A1020 7.916 15.289 -6.125 1.00 0.00 H new ATOM 0 HG2 GLN A1020 7.977 16.785 -8.199 1.00 0.00 H new ATOM 0 HG3 GLN A1020 7.249 18.041 -7.218 1.00 0.00 H new ATOM 0 HE21 GLN A1020 9.825 18.162 -8.511 1.00 0.00 H new ATOM 0 HE22 GLN A1020 11.028 18.356 -7.232 1.00 0.00 H new ATOM 1627 N MET A1021 4.263 15.254 -5.205 1.00 0.00 N ATOM 1628 CA MET A1021 3.412 14.536 -4.261 1.00 0.00 C ATOM 1629 C MET A1021 2.465 13.602 -5.008 1.00 0.00 C ATOM 1630 O MET A1021 2.319 12.437 -4.641 1.00 0.00 O ATOM 1631 CB MET A1021 2.631 15.527 -3.387 1.00 0.00 C ATOM 1632 CG MET A1021 1.785 14.883 -2.296 1.00 0.00 C ATOM 1633 SD MET A1021 0.207 14.243 -2.899 1.00 0.00 S ATOM 1634 CE MET A1021 -0.547 15.736 -3.536 1.00 0.00 C ATOM 0 H MET A1021 4.079 16.256 -5.256 1.00 0.00 H new ATOM 0 HA MET A1021 4.041 13.931 -3.608 1.00 0.00 H new ATOM 0 HB2 MET A1021 3.337 16.215 -2.922 1.00 0.00 H new ATOM 0 HB3 MET A1021 1.981 16.122 -4.028 1.00 0.00 H new ATOM 0 HG2 MET A1021 2.349 14.069 -1.841 1.00 0.00 H new ATOM 0 HG3 MET A1021 1.596 15.616 -1.512 1.00 0.00 H new ATOM 0 HE1 MET A1021 -1.632 15.641 -3.496 1.00 0.00 H new ATOM 0 HE2 MET A1021 -0.235 16.588 -2.932 1.00 0.00 H new ATOM 0 HE3 MET A1021 -0.234 15.890 -4.569 1.00 0.00 H new ATOM 1644 N LEU A1022 1.840 14.111 -6.066 1.00 0.00 N ATOM 1645 CA LEU A1022 0.942 13.308 -6.897 1.00 0.00 C ATOM 1646 C LEU A1022 1.685 12.129 -7.518 1.00 0.00 C ATOM 1647 O LEU A1022 1.150 11.022 -7.603 1.00 0.00 O ATOM 1648 CB LEU A1022 0.317 14.165 -8.002 1.00 0.00 C ATOM 1649 CG LEU A1022 -0.649 15.249 -7.524 1.00 0.00 C ATOM 1650 CD1 LEU A1022 -1.099 16.111 -8.692 1.00 0.00 C ATOM 1651 CD2 LEU A1022 -1.851 14.628 -6.827 1.00 0.00 C ATOM 0 H LEU A1022 1.938 15.079 -6.371 1.00 0.00 H new ATOM 0 HA LEU A1022 0.149 12.924 -6.255 1.00 0.00 H new ATOM 0 HB2 LEU A1022 1.119 14.640 -8.567 1.00 0.00 H new ATOM 0 HB3 LEU A1022 -0.213 13.508 -8.692 1.00 0.00 H new ATOM 0 HG LEU A1022 -0.127 15.882 -6.807 1.00 0.00 H new ATOM 0 HD11 LEU A1022 -1.786 16.878 -8.335 1.00 0.00 H new ATOM 0 HD12 LEU A1022 -0.231 16.586 -9.149 1.00 0.00 H new ATOM 0 HD13 LEU A1022 -1.603 15.488 -9.431 1.00 0.00 H new ATOM 0 HD21 LEU A1022 -2.526 15.416 -6.494 1.00 0.00 H new ATOM 0 HD22 LEU A1022 -2.375 13.971 -7.521 1.00 0.00 H new ATOM 0 HD23 LEU A1022 -1.514 14.051 -5.965 1.00 0.00 H new ATOM 1663 N THR A1023 2.914 12.373 -7.954 1.00 0.00 N ATOM 1664 CA THR A1023 3.752 11.327 -8.519 1.00 0.00 C ATOM 1665 C THR A1023 4.040 10.247 -7.476 1.00 0.00 C ATOM 1666 O THR A1023 4.107 9.055 -7.789 1.00 0.00 O ATOM 1667 CB THR A1023 5.078 11.916 -9.036 1.00 0.00 C ATOM 1668 OG1 THR A1023 4.809 13.034 -9.896 1.00 0.00 O ATOM 1669 CG2 THR A1023 5.877 10.870 -9.797 1.00 0.00 C ATOM 0 H THR A1023 3.354 13.293 -7.926 1.00 0.00 H new ATOM 0 HA THR A1023 3.214 10.878 -9.354 1.00 0.00 H new ATOM 0 HB THR A1023 5.665 12.244 -8.178 1.00 0.00 H new ATOM 0 HG1 THR A1023 4.517 13.798 -9.357 1.00 0.00 H new ATOM 0 HG21 THR A1023 6.809 11.311 -10.152 1.00 0.00 H new ATOM 0 HG22 THR A1023 6.100 10.032 -9.137 1.00 0.00 H new ATOM 0 HG23 THR A1023 5.296 10.517 -10.649 1.00 0.00 H new ATOM 1677 N ALA A1024 4.158 10.672 -6.227 1.00 0.00 N ATOM 1678 CA ALA A1024 4.426 9.756 -5.134 1.00 0.00 C ATOM 1679 C ALA A1024 3.151 9.032 -4.736 1.00 0.00 C ATOM 1680 O ALA A1024 3.160 7.831 -4.502 1.00 0.00 O ATOM 1681 CB ALA A1024 5.016 10.493 -3.945 1.00 0.00 C ATOM 0 H ALA A1024 4.072 11.649 -5.947 1.00 0.00 H new ATOM 0 HA ALA A1024 5.156 9.020 -5.470 1.00 0.00 H new ATOM 0 HB1 ALA A1024 5.209 9.786 -3.138 1.00 0.00 H new ATOM 0 HB2 ALA A1024 5.950 10.970 -4.240 1.00 0.00 H new ATOM 0 HB3 ALA A1024 4.313 11.252 -3.602 1.00 0.00 H new ATOM 1687 N ALA A1025 2.051 9.776 -4.684 1.00 0.00 N ATOM 1688 CA ALA A1025 0.751 9.216 -4.333 1.00 0.00 C ATOM 1689 C ALA A1025 0.322 8.158 -5.339 1.00 0.00 C ATOM 1690 O ALA A1025 -0.259 7.138 -4.971 1.00 0.00 O ATOM 1691 CB ALA A1025 -0.292 10.320 -4.246 1.00 0.00 C ATOM 0 H ALA A1025 2.035 10.776 -4.882 1.00 0.00 H new ATOM 0 HA ALA A1025 0.839 8.737 -3.358 1.00 0.00 H new ATOM 0 HB1 ALA A1025 -1.258 9.888 -3.983 1.00 0.00 H new ATOM 0 HB2 ALA A1025 0.003 11.040 -3.483 1.00 0.00 H new ATOM 0 HB3 ALA A1025 -0.370 10.824 -5.209 1.00 0.00 H new ATOM 1697 N HIS A1026 0.611 8.403 -6.611 1.00 0.00 N ATOM 1698 CA HIS A1026 0.285 7.443 -7.651 1.00 0.00 C ATOM 1699 C HIS A1026 1.156 6.207 -7.521 1.00 0.00 C ATOM 1700 O HIS A1026 0.655 5.088 -7.566 1.00 0.00 O ATOM 1701 CB HIS A1026 0.450 8.054 -9.047 1.00 0.00 C ATOM 1702 CG HIS A1026 0.220 7.080 -10.169 1.00 0.00 C ATOM 1703 ND1 HIS A1026 1.162 6.813 -11.139 1.00 0.00 N ATOM 1704 CD2 HIS A1026 -0.853 6.310 -10.473 1.00 0.00 C ATOM 1705 CE1 HIS A1026 0.679 5.929 -11.991 1.00 0.00 C ATOM 1706 NE2 HIS A1026 -0.542 5.609 -11.609 1.00 0.00 N ATOM 0 H HIS A1026 1.067 9.253 -6.943 1.00 0.00 H new ATOM 0 HA HIS A1026 -0.760 7.160 -7.525 1.00 0.00 H new ATOM 0 HB2 HIS A1026 -0.246 8.886 -9.153 1.00 0.00 H new ATOM 0 HB3 HIS A1026 1.455 8.465 -9.136 1.00 0.00 H new ATOM 0 HD2 HIS A1026 -1.781 6.258 -9.922 1.00 0.00 H new ATOM 0 HE1 HIS A1026 1.195 5.535 -12.854 1.00 0.00 H new ATOM 0 HE2 HIS A1026 -1.156 4.946 -12.083 1.00 0.00 H new ATOM 1715 N ALA A1027 2.455 6.420 -7.366 1.00 0.00 N ATOM 1716 CA ALA A1027 3.389 5.319 -7.200 1.00 0.00 C ATOM 1717 C ALA A1027 3.053 4.521 -5.946 1.00 0.00 C ATOM 1718 O ALA A1027 3.192 3.301 -5.924 1.00 0.00 O ATOM 1719 CB ALA A1027 4.812 5.844 -7.149 1.00 0.00 C ATOM 0 H ALA A1027 2.884 7.345 -7.352 1.00 0.00 H new ATOM 0 HA ALA A1027 3.303 4.650 -8.056 1.00 0.00 H new ATOM 0 HB1 ALA A1027 5.503 5.010 -7.024 1.00 0.00 H new ATOM 0 HB2 ALA A1027 5.040 6.369 -8.077 1.00 0.00 H new ATOM 0 HB3 ALA A1027 4.917 6.531 -6.309 1.00 0.00 H new ATOM 1725 N LEU A1028 2.585 5.229 -4.924 1.00 0.00 N ATOM 1726 CA LEU A1028 2.111 4.603 -3.695 1.00 0.00 C ATOM 1727 C LEU A1028 0.907 3.727 -3.979 1.00 0.00 C ATOM 1728 O LEU A1028 0.836 2.577 -3.564 1.00 0.00 O ATOM 1729 CB LEU A1028 1.716 5.663 -2.672 1.00 0.00 C ATOM 1730 CG LEU A1028 1.086 5.099 -1.397 1.00 0.00 C ATOM 1731 CD1 LEU A1028 1.855 5.550 -0.172 1.00 0.00 C ATOM 1732 CD2 LEU A1028 -0.374 5.516 -1.297 1.00 0.00 C ATOM 0 H LEU A1028 2.524 6.247 -4.923 1.00 0.00 H new ATOM 0 HA LEU A1028 2.922 3.995 -3.295 1.00 0.00 H new ATOM 0 HB2 LEU A1028 2.601 6.240 -2.402 1.00 0.00 H new ATOM 0 HB3 LEU A1028 1.013 6.356 -3.136 1.00 0.00 H new ATOM 0 HG LEU A1028 1.132 4.011 -1.444 1.00 0.00 H new ATOM 0 HD11 LEU A1028 1.389 5.137 0.723 1.00 0.00 H new ATOM 0 HD12 LEU A1028 2.885 5.199 -0.239 1.00 0.00 H new ATOM 0 HD13 LEU A1028 1.845 6.639 -0.117 1.00 0.00 H new ATOM 0 HD21 LEU A1028 -0.808 5.107 -0.385 1.00 0.00 H new ATOM 0 HD22 LEU A1028 -0.441 6.604 -1.274 1.00 0.00 H new ATOM 0 HD23 LEU A1028 -0.921 5.137 -2.160 1.00 0.00 H new ATOM 1744 N ALA A1029 -0.057 4.291 -4.675 1.00 0.00 N ATOM 1745 CA ALA A1029 -1.228 3.529 -5.064 1.00 0.00 C ATOM 1746 C ALA A1029 -0.808 2.283 -5.838 1.00 0.00 C ATOM 1747 O ALA A1029 -1.403 1.219 -5.684 1.00 0.00 O ATOM 1748 CB ALA A1029 -2.180 4.385 -5.885 1.00 0.00 C ATOM 0 H ALA A1029 -0.056 5.264 -4.981 1.00 0.00 H new ATOM 0 HA ALA A1029 -1.756 3.215 -4.164 1.00 0.00 H new ATOM 0 HB1 ALA A1029 -3.051 3.793 -6.166 1.00 0.00 H new ATOM 0 HB2 ALA A1029 -2.500 5.243 -5.294 1.00 0.00 H new ATOM 0 HB3 ALA A1029 -1.672 4.733 -6.785 1.00 0.00 H new ATOM 1754 N VAL A1030 0.225 2.421 -6.664 1.00 0.00 N ATOM 1755 CA VAL A1030 0.791 1.291 -7.387 1.00 0.00 C ATOM 1756 C VAL A1030 1.478 0.288 -6.450 1.00 0.00 C ATOM 1757 O VAL A1030 1.472 -0.908 -6.727 1.00 0.00 O ATOM 1758 CB VAL A1030 1.788 1.763 -8.474 1.00 0.00 C ATOM 1759 CG1 VAL A1030 2.343 0.588 -9.258 1.00 0.00 C ATOM 1760 CG2 VAL A1030 1.119 2.746 -9.421 1.00 0.00 C ATOM 0 H VAL A1030 0.688 3.311 -6.849 1.00 0.00 H new ATOM 0 HA VAL A1030 -0.044 0.783 -7.869 1.00 0.00 H new ATOM 0 HB VAL A1030 2.616 2.261 -7.970 1.00 0.00 H new ATOM 0 HG11 VAL A1030 3.040 0.951 -10.013 1.00 0.00 H new ATOM 0 HG12 VAL A1030 2.863 -0.089 -8.580 1.00 0.00 H new ATOM 0 HG13 VAL A1030 1.525 0.056 -9.744 1.00 0.00 H new ATOM 0 HG21 VAL A1030 1.835 3.067 -10.178 1.00 0.00 H new ATOM 0 HG22 VAL A1030 0.270 2.264 -9.906 1.00 0.00 H new ATOM 0 HG23 VAL A1030 0.772 3.613 -8.859 1.00 0.00 H new ATOM 1770 N ASP A1031 2.036 0.750 -5.330 1.00 0.00 N ATOM 1771 CA ASP A1031 2.694 -0.179 -4.411 1.00 0.00 C ATOM 1772 C ASP A1031 1.632 -0.959 -3.649 1.00 0.00 C ATOM 1773 O ASP A1031 1.752 -2.173 -3.465 1.00 0.00 O ATOM 1774 CB ASP A1031 3.720 0.495 -3.462 1.00 0.00 C ATOM 1775 CG ASP A1031 3.145 1.375 -2.355 1.00 0.00 C ATOM 1776 OD1 ASP A1031 2.344 0.882 -1.535 1.00 0.00 O ATOM 1777 OD2 ASP A1031 3.538 2.556 -2.283 1.00 0.00 O ATOM 0 H ASP A1031 2.047 1.729 -5.043 1.00 0.00 H new ATOM 0 HA ASP A1031 3.294 -0.866 -5.008 1.00 0.00 H new ATOM 0 HB2 ASP A1031 4.322 -0.287 -2.999 1.00 0.00 H new ATOM 0 HB3 ASP A1031 4.395 1.102 -4.065 1.00 0.00 H new ATOM 1782 N ALA A1032 0.562 -0.268 -3.273 1.00 0.00 N ATOM 1783 CA ALA A1032 -0.595 -0.908 -2.678 1.00 0.00 C ATOM 1784 C ALA A1032 -1.219 -1.891 -3.665 1.00 0.00 C ATOM 1785 O ALA A1032 -1.394 -3.065 -3.356 1.00 0.00 O ATOM 1786 CB ALA A1032 -1.617 0.137 -2.261 1.00 0.00 C ATOM 0 H ALA A1032 0.476 0.743 -3.373 1.00 0.00 H new ATOM 0 HA ALA A1032 -0.275 -1.457 -1.792 1.00 0.00 H new ATOM 0 HB1 ALA A1032 -2.481 -0.356 -1.816 1.00 0.00 H new ATOM 0 HB2 ALA A1032 -1.170 0.813 -1.532 1.00 0.00 H new ATOM 0 HB3 ALA A1032 -1.934 0.705 -3.136 1.00 0.00 H new ATOM 1792 N LYS A1033 -1.520 -1.412 -4.869 1.00 0.00 N ATOM 1793 CA LYS A1033 -2.171 -2.237 -5.881 1.00 0.00 C ATOM 1794 C LYS A1033 -1.314 -3.433 -6.273 1.00 0.00 C ATOM 1795 O LYS A1033 -1.826 -4.534 -6.453 1.00 0.00 O ATOM 1796 CB LYS A1033 -2.514 -1.412 -7.124 1.00 0.00 C ATOM 1797 CG LYS A1033 -3.747 -0.536 -6.954 1.00 0.00 C ATOM 1798 CD LYS A1033 -4.028 0.282 -8.206 1.00 0.00 C ATOM 1799 CE LYS A1033 -4.197 -0.606 -9.433 1.00 0.00 C ATOM 1800 NZ LYS A1033 -5.402 -1.475 -9.346 1.00 0.00 N ATOM 0 H LYS A1033 -1.323 -0.457 -5.167 1.00 0.00 H new ATOM 0 HA LYS A1033 -3.094 -2.612 -5.439 1.00 0.00 H new ATOM 0 HB2 LYS A1033 -1.662 -0.781 -7.377 1.00 0.00 H new ATOM 0 HB3 LYS A1033 -2.671 -2.087 -7.965 1.00 0.00 H new ATOM 0 HG2 LYS A1033 -4.610 -1.161 -6.726 1.00 0.00 H new ATOM 0 HG3 LYS A1033 -3.605 0.133 -6.105 1.00 0.00 H new ATOM 0 HD2 LYS A1033 -4.931 0.875 -8.059 1.00 0.00 H new ATOM 0 HD3 LYS A1033 -3.210 0.983 -8.374 1.00 0.00 H new ATOM 0 HE2 LYS A1033 -4.267 0.019 -10.323 1.00 0.00 H new ATOM 0 HE3 LYS A1033 -3.311 -1.230 -9.551 1.00 0.00 H new ATOM 0 HZ1 LYS A1033 -5.500 -2.022 -10.225 1.00 0.00 H new ATOM 0 HZ2 LYS A1033 -5.302 -2.127 -8.542 1.00 0.00 H new ATOM 0 HZ3 LYS A1033 -6.247 -0.884 -9.210 1.00 0.00 H new ATOM 1814 N ASN A1034 -0.012 -3.234 -6.388 1.00 0.00 N ATOM 1815 CA ASN A1034 0.865 -4.325 -6.776 1.00 0.00 C ATOM 1816 C ASN A1034 0.932 -5.365 -5.663 1.00 0.00 C ATOM 1817 O ASN A1034 0.918 -6.560 -5.932 1.00 0.00 O ATOM 1818 CB ASN A1034 2.268 -3.815 -7.119 1.00 0.00 C ATOM 1819 CG ASN A1034 3.121 -4.871 -7.802 1.00 0.00 C ATOM 1820 OD1 ASN A1034 3.904 -5.601 -7.025 1.00 0.00 O flip ATOM 1821 ND2 ASN A1034 3.092 -5.014 -9.024 1.00 0.00 N flip ATOM 0 H ASN A1034 0.455 -2.343 -6.221 1.00 0.00 H new ATOM 0 HA ASN A1034 0.453 -4.790 -7.671 1.00 0.00 H new ATOM 0 HB2 ASN A1034 2.185 -2.944 -7.769 1.00 0.00 H new ATOM 0 HB3 ASN A1034 2.765 -3.486 -6.206 1.00 0.00 H new ATOM 0 HD21 ASN A1034 2.475 -4.432 -9.591 1.00 0.00 H new ATOM 0 HD22 ASN A1034 3.685 -5.714 -9.470 1.00 0.00 H new ATOM 1828 N LEU A1035 0.941 -4.911 -4.410 1.00 0.00 N ATOM 1829 CA LEU A1035 1.072 -5.826 -3.278 1.00 0.00 C ATOM 1830 C LEU A1035 -0.255 -6.522 -2.977 1.00 0.00 C ATOM 1831 O LEU A1035 -0.266 -7.620 -2.442 1.00 0.00 O ATOM 1832 CB LEU A1035 1.572 -5.112 -2.019 1.00 0.00 C ATOM 1833 CG LEU A1035 1.659 -6.014 -0.787 1.00 0.00 C ATOM 1834 CD1 LEU A1035 2.911 -6.876 -0.825 1.00 0.00 C ATOM 1835 CD2 LEU A1035 1.602 -5.200 0.484 1.00 0.00 C ATOM 0 H LEU A1035 0.860 -3.927 -4.155 1.00 0.00 H new ATOM 0 HA LEU A1035 1.812 -6.573 -3.565 1.00 0.00 H new ATOM 0 HB2 LEU A1035 2.557 -4.691 -2.219 1.00 0.00 H new ATOM 0 HB3 LEU A1035 0.907 -4.277 -1.799 1.00 0.00 H new ATOM 0 HG LEU A1035 0.796 -6.679 -0.800 1.00 0.00 H new ATOM 0 HD11 LEU A1035 2.946 -7.507 0.063 1.00 0.00 H new ATOM 0 HD12 LEU A1035 2.893 -7.504 -1.715 1.00 0.00 H new ATOM 0 HD13 LEU A1035 3.793 -6.236 -0.850 1.00 0.00 H new ATOM 0 HD21 LEU A1035 1.666 -5.865 1.345 1.00 0.00 H new ATOM 0 HD22 LEU A1035 2.436 -4.499 0.505 1.00 0.00 H new ATOM 0 HD23 LEU A1035 0.663 -4.648 0.521 1.00 0.00 H new ATOM 1847 N LEU A1036 -1.373 -5.900 -3.327 1.00 0.00 N ATOM 1848 CA LEU A1036 -2.673 -6.519 -3.090 1.00 0.00 C ATOM 1849 C LEU A1036 -2.890 -7.633 -4.082 1.00 0.00 C ATOM 1850 O LEU A1036 -3.682 -8.518 -3.845 1.00 0.00 O ATOM 1851 CB LEU A1036 -3.839 -5.504 -3.111 1.00 0.00 C ATOM 1852 CG LEU A1036 -4.022 -4.656 -4.374 1.00 0.00 C ATOM 1853 CD1 LEU A1036 -4.718 -5.440 -5.475 1.00 0.00 C ATOM 1854 CD2 LEU A1036 -4.812 -3.397 -4.045 1.00 0.00 C ATOM 0 H LEU A1036 -1.409 -4.982 -3.769 1.00 0.00 H new ATOM 0 HA LEU A1036 -2.664 -6.932 -2.081 1.00 0.00 H new ATOM 0 HB2 LEU A1036 -4.765 -6.053 -2.939 1.00 0.00 H new ATOM 0 HB3 LEU A1036 -3.709 -4.826 -2.268 1.00 0.00 H new ATOM 0 HG LEU A1036 -3.033 -4.377 -4.739 1.00 0.00 H new ATOM 0 HD11 LEU A1036 -4.831 -4.808 -6.356 1.00 0.00 H new ATOM 0 HD12 LEU A1036 -4.121 -6.316 -5.731 1.00 0.00 H new ATOM 0 HD13 LEU A1036 -5.701 -5.759 -5.129 1.00 0.00 H new ATOM 0 HD21 LEU A1036 -4.938 -2.800 -4.948 1.00 0.00 H new ATOM 0 HD22 LEU A1036 -5.791 -3.674 -3.654 1.00 0.00 H new ATOM 0 HD23 LEU A1036 -4.274 -2.815 -3.297 1.00 0.00 H new ATOM 1866 N ASP A1037 -2.167 -7.565 -5.187 1.00 0.00 N ATOM 1867 CA ASP A1037 -2.101 -8.663 -6.141 1.00 0.00 C ATOM 1868 C ASP A1037 -1.082 -9.682 -5.659 1.00 0.00 C ATOM 1869 O ASP A1037 -1.347 -10.874 -5.646 1.00 0.00 O ATOM 1870 CB ASP A1037 -1.715 -8.164 -7.536 1.00 0.00 C ATOM 1871 CG ASP A1037 -2.892 -7.624 -8.321 1.00 0.00 C ATOM 1872 OD1 ASP A1037 -3.648 -8.439 -8.897 1.00 0.00 O ATOM 1873 OD2 ASP A1037 -3.063 -6.393 -8.388 1.00 0.00 O ATOM 0 H ASP A1037 -1.611 -6.751 -5.449 1.00 0.00 H new ATOM 0 HA ASP A1037 -3.087 -9.123 -6.210 1.00 0.00 H new ATOM 0 HB2 ASP A1037 -0.961 -7.383 -7.440 1.00 0.00 H new ATOM 0 HB3 ASP A1037 -1.258 -8.981 -8.094 1.00 0.00 H new ATOM 1878 N VAL A1038 0.080 -9.182 -5.252 1.00 0.00 N ATOM 1879 CA VAL A1038 1.138 -10.000 -4.656 1.00 0.00 C ATOM 1880 C VAL A1038 0.601 -10.869 -3.523 1.00 0.00 C ATOM 1881 O VAL A1038 0.735 -12.084 -3.530 1.00 0.00 O ATOM 1882 CB VAL A1038 2.239 -9.084 -4.083 1.00 0.00 C ATOM 1883 CG1 VAL A1038 3.153 -9.846 -3.145 1.00 0.00 C ATOM 1884 CG2 VAL A1038 3.038 -8.441 -5.204 1.00 0.00 C ATOM 0 H VAL A1038 0.319 -8.193 -5.325 1.00 0.00 H new ATOM 0 HA VAL A1038 1.537 -10.645 -5.439 1.00 0.00 H new ATOM 0 HB VAL A1038 1.753 -8.295 -3.509 1.00 0.00 H new ATOM 0 HG11 VAL A1038 3.919 -9.174 -2.757 1.00 0.00 H new ATOM 0 HG12 VAL A1038 2.570 -10.249 -2.317 1.00 0.00 H new ATOM 0 HG13 VAL A1038 3.629 -10.664 -3.686 1.00 0.00 H new ATOM 0 HG21 VAL A1038 3.809 -7.799 -4.779 1.00 0.00 H new ATOM 0 HG22 VAL A1038 3.505 -9.218 -5.809 1.00 0.00 H new ATOM 0 HG23 VAL A1038 2.373 -7.845 -5.829 1.00 0.00 H new ATOM 1894 N ILE A1039 0.012 -10.201 -2.557 1.00 0.00 N ATOM 1895 CA ILE A1039 -0.534 -10.809 -1.360 1.00 0.00 C ATOM 1896 C ILE A1039 -1.836 -11.571 -1.646 1.00 0.00 C ATOM 1897 O ILE A1039 -2.113 -12.601 -1.022 1.00 0.00 O ATOM 1898 CB ILE A1039 -0.770 -9.724 -0.294 1.00 0.00 C ATOM 1899 CG1 ILE A1039 0.541 -9.254 0.322 1.00 0.00 C ATOM 1900 CG2 ILE A1039 -1.684 -10.214 0.781 1.00 0.00 C ATOM 1901 CD1 ILE A1039 0.327 -8.287 1.466 1.00 0.00 C ATOM 0 H ILE A1039 -0.105 -9.188 -2.582 1.00 0.00 H new ATOM 0 HA ILE A1039 0.189 -11.536 -0.990 1.00 0.00 H new ATOM 0 HB ILE A1039 -1.239 -8.879 -0.798 1.00 0.00 H new ATOM 0 HG12 ILE A1039 1.101 -10.118 0.680 1.00 0.00 H new ATOM 0 HG13 ILE A1039 1.149 -8.775 -0.446 1.00 0.00 H new ATOM 0 HG21 ILE A1039 -1.832 -9.426 1.520 1.00 0.00 H new ATOM 0 HG22 ILE A1039 -2.645 -10.488 0.345 1.00 0.00 H new ATOM 0 HG23 ILE A1039 -1.243 -11.086 1.264 1.00 0.00 H new ATOM 0 HD11 ILE A1039 1.292 -7.982 1.870 1.00 0.00 H new ATOM 0 HD12 ILE A1039 -0.209 -7.409 1.105 1.00 0.00 H new ATOM 0 HD13 ILE A1039 -0.257 -8.772 2.248 1.00 0.00 H new ATOM 1913 N ASP A1040 -2.652 -11.054 -2.555 1.00 0.00 N ATOM 1914 CA ASP A1040 -3.760 -11.845 -3.104 1.00 0.00 C ATOM 1915 C ASP A1040 -3.219 -13.183 -3.580 1.00 0.00 C ATOM 1916 O ASP A1040 -3.765 -14.252 -3.272 1.00 0.00 O ATOM 1917 CB ASP A1040 -4.415 -11.106 -4.279 1.00 0.00 C ATOM 1918 CG ASP A1040 -5.486 -11.891 -5.009 1.00 0.00 C ATOM 1919 OD1 ASP A1040 -5.144 -12.850 -5.733 1.00 0.00 O ATOM 1920 OD2 ASP A1040 -6.672 -11.515 -4.912 1.00 0.00 O ATOM 0 H ASP A1040 -2.576 -10.107 -2.927 1.00 0.00 H new ATOM 0 HA ASP A1040 -4.512 -11.999 -2.330 1.00 0.00 H new ATOM 0 HB2 ASP A1040 -4.853 -10.180 -3.908 1.00 0.00 H new ATOM 0 HB3 ASP A1040 -3.639 -10.828 -4.992 1.00 0.00 H new ATOM 1925 N GLN A1041 -2.099 -13.106 -4.287 1.00 0.00 N ATOM 1926 CA GLN A1041 -1.416 -14.291 -4.759 1.00 0.00 C ATOM 1927 C GLN A1041 -0.746 -14.996 -3.607 1.00 0.00 C ATOM 1928 O GLN A1041 -0.567 -16.190 -3.671 1.00 0.00 O ATOM 1929 CB GLN A1041 -0.348 -13.981 -5.802 1.00 0.00 C ATOM 1930 CG GLN A1041 -0.884 -13.398 -7.102 1.00 0.00 C ATOM 1931 CD GLN A1041 0.216 -12.870 -8.005 1.00 0.00 C ATOM 1932 OE1 GLN A1041 1.382 -13.493 -7.950 1.00 0.00 O flip ATOM 1933 NE2 GLN A1041 0.016 -11.910 -8.750 1.00 0.00 N flip ATOM 0 H GLN A1041 -1.647 -12.229 -4.544 1.00 0.00 H new ATOM 0 HA GLN A1041 -2.178 -14.920 -5.219 1.00 0.00 H new ATOM 0 HB2 GLN A1041 0.368 -13.280 -5.373 1.00 0.00 H new ATOM 0 HB3 GLN A1041 0.198 -14.897 -6.028 1.00 0.00 H new ATOM 0 HG2 GLN A1041 -1.448 -14.164 -7.634 1.00 0.00 H new ATOM 0 HG3 GLN A1041 -1.580 -12.591 -6.874 1.00 0.00 H new ATOM 0 HE21 GLN A1041 -0.898 -11.456 -8.763 1.00 0.00 H new ATOM 0 HE22 GLN A1041 0.764 -11.568 -9.354 1.00 0.00 H new ATOM 1942 N ALA A1042 -0.342 -14.248 -2.577 1.00 0.00 N ATOM 1943 CA ALA A1042 0.270 -14.831 -1.392 1.00 0.00 C ATOM 1944 C ALA A1042 -0.600 -15.916 -0.785 1.00 0.00 C ATOM 1945 O ALA A1042 -0.185 -17.056 -0.655 1.00 0.00 O ATOM 1946 CB ALA A1042 0.514 -13.759 -0.349 1.00 0.00 C ATOM 0 H ALA A1042 -0.431 -13.232 -2.545 1.00 0.00 H new ATOM 0 HA ALA A1042 1.215 -15.277 -1.703 1.00 0.00 H new ATOM 0 HB1 ALA A1042 0.972 -14.207 0.533 1.00 0.00 H new ATOM 0 HB2 ALA A1042 1.180 -12.999 -0.757 1.00 0.00 H new ATOM 0 HB3 ALA A1042 -0.434 -13.299 -0.071 1.00 0.00 H new ATOM 1952 N ARG A1043 -1.817 -15.566 -0.425 1.00 0.00 N ATOM 1953 CA ARG A1043 -2.739 -16.550 0.120 1.00 0.00 C ATOM 1954 C ARG A1043 -2.977 -17.678 -0.894 1.00 0.00 C ATOM 1955 O ARG A1043 -3.224 -18.825 -0.520 1.00 0.00 O ATOM 1956 CB ARG A1043 -4.051 -15.882 0.523 1.00 0.00 C ATOM 1957 CG ARG A1043 -4.584 -16.333 1.880 1.00 0.00 C ATOM 1958 CD ARG A1043 -3.592 -16.065 3.006 1.00 0.00 C ATOM 1959 NE ARG A1043 -4.243 -16.109 4.320 1.00 0.00 N ATOM 1960 CZ ARG A1043 -3.610 -15.952 5.486 1.00 0.00 C ATOM 1961 NH1 ARG A1043 -2.286 -15.869 5.536 1.00 0.00 N ATOM 1962 NH2 ARG A1043 -4.302 -15.902 6.616 1.00 0.00 N ATOM 0 H ARG A1043 -2.191 -14.620 -0.497 1.00 0.00 H new ATOM 0 HA ARG A1043 -2.298 -16.990 1.014 1.00 0.00 H new ATOM 0 HB2 ARG A1043 -3.907 -14.802 0.541 1.00 0.00 H new ATOM 0 HB3 ARG A1043 -4.802 -16.090 -0.239 1.00 0.00 H new ATOM 0 HG2 ARG A1043 -5.520 -15.815 2.091 1.00 0.00 H new ATOM 0 HG3 ARG A1043 -4.811 -17.399 1.844 1.00 0.00 H new ATOM 0 HD2 ARG A1043 -2.792 -16.804 2.971 1.00 0.00 H new ATOM 0 HD3 ARG A1043 -3.130 -15.088 2.860 1.00 0.00 H new ATOM 0 HE ARG A1043 -5.250 -16.271 4.345 1.00 0.00 H new ATOM 0 HH11 ARG A1043 -1.739 -15.925 4.677 1.00 0.00 H new ATOM 0 HH12 ARG A1043 -1.816 -15.749 6.433 1.00 0.00 H new ATOM 0 HH21 ARG A1043 -5.319 -15.983 6.596 1.00 0.00 H new ATOM 0 HH22 ARG A1043 -3.818 -15.782 7.506 1.00 0.00 H new ATOM 1976 N LEU A1044 -2.865 -17.349 -2.177 1.00 0.00 N ATOM 1977 CA LEU A1044 -2.962 -18.350 -3.234 1.00 0.00 C ATOM 1978 C LEU A1044 -1.654 -19.148 -3.339 1.00 0.00 C ATOM 1979 O LEU A1044 -1.652 -20.285 -3.786 1.00 0.00 O ATOM 1980 CB LEU A1044 -3.290 -17.679 -4.572 1.00 0.00 C ATOM 1981 CG LEU A1044 -3.572 -18.632 -5.736 1.00 0.00 C ATOM 1982 CD1 LEU A1044 -4.778 -19.506 -5.431 1.00 0.00 C ATOM 1983 CD2 LEU A1044 -3.791 -17.845 -7.020 1.00 0.00 C ATOM 0 H LEU A1044 -2.707 -16.398 -2.510 1.00 0.00 H new ATOM 0 HA LEU A1044 -3.767 -19.041 -2.986 1.00 0.00 H new ATOM 0 HB2 LEU A1044 -4.159 -17.036 -4.433 1.00 0.00 H new ATOM 0 HB3 LEU A1044 -2.457 -17.033 -4.848 1.00 0.00 H new ATOM 0 HG LEU A1044 -2.707 -19.281 -5.871 1.00 0.00 H new ATOM 0 HD11 LEU A1044 -4.963 -20.177 -6.270 1.00 0.00 H new ATOM 0 HD12 LEU A1044 -4.584 -20.093 -4.533 1.00 0.00 H new ATOM 0 HD13 LEU A1044 -5.653 -18.876 -5.271 1.00 0.00 H new ATOM 0 HD21 LEU A1044 -3.991 -18.535 -7.840 1.00 0.00 H new ATOM 0 HD22 LEU A1044 -4.641 -17.174 -6.895 1.00 0.00 H new ATOM 0 HD23 LEU A1044 -2.898 -17.262 -7.246 1.00 0.00 H new ATOM 1995 N LYS A1045 -0.549 -18.531 -2.919 1.00 0.00 N ATOM 1996 CA LYS A1045 0.760 -19.180 -2.857 1.00 0.00 C ATOM 1997 C LYS A1045 0.701 -20.312 -1.871 1.00 0.00 C ATOM 1998 O LYS A1045 1.361 -21.338 -2.021 1.00 0.00 O ATOM 1999 CB LYS A1045 1.842 -18.196 -2.394 1.00 0.00 C ATOM 2000 CG LYS A1045 2.209 -17.120 -3.395 1.00 0.00 C ATOM 2001 CD LYS A1045 2.788 -17.705 -4.674 1.00 0.00 C ATOM 2002 CE LYS A1045 1.914 -17.418 -5.888 1.00 0.00 C ATOM 2003 NZ LYS A1045 0.599 -18.109 -5.820 1.00 0.00 N ATOM 0 H LYS A1045 -0.538 -17.559 -2.610 1.00 0.00 H new ATOM 0 HA LYS A1045 1.010 -19.541 -3.855 1.00 0.00 H new ATOM 0 HB2 LYS A1045 1.504 -17.715 -1.476 1.00 0.00 H new ATOM 0 HB3 LYS A1045 2.741 -18.760 -2.146 1.00 0.00 H new ATOM 0 HG2 LYS A1045 1.324 -16.530 -3.634 1.00 0.00 H new ATOM 0 HG3 LYS A1045 2.934 -16.440 -2.947 1.00 0.00 H new ATOM 0 HD2 LYS A1045 3.784 -17.294 -4.841 1.00 0.00 H new ATOM 0 HD3 LYS A1045 2.903 -18.783 -4.558 1.00 0.00 H new ATOM 0 HE2 LYS A1045 1.752 -16.343 -5.969 1.00 0.00 H new ATOM 0 HE3 LYS A1045 2.438 -17.730 -6.791 1.00 0.00 H new ATOM 0 HZ1 LYS A1045 0.050 -17.895 -6.677 1.00 0.00 H new ATOM 0 HZ2 LYS A1045 0.749 -19.136 -5.753 1.00 0.00 H new ATOM 0 HZ3 LYS A1045 0.077 -17.780 -4.983 1.00 0.00 H new ATOM 2017 N MET A1046 -0.097 -20.098 -0.849 1.00 0.00 N ATOM 2018 CA MET A1046 -0.326 -21.114 0.152 1.00 0.00 C ATOM 2019 C MET A1046 -1.033 -22.301 -0.489 1.00 0.00 C ATOM 2020 O MET A1046 -0.674 -23.451 -0.256 1.00 0.00 O ATOM 2021 CB MET A1046 -1.142 -20.545 1.302 1.00 0.00 C ATOM 2022 CG MET A1046 -1.311 -21.512 2.457 1.00 0.00 C ATOM 2023 SD MET A1046 -2.250 -20.804 3.826 1.00 0.00 S ATOM 2024 CE MET A1046 -2.274 -22.186 4.971 1.00 0.00 C ATOM 0 H MET A1046 -0.600 -19.225 -0.689 1.00 0.00 H new ATOM 0 HA MET A1046 0.628 -21.452 0.557 1.00 0.00 H new ATOM 0 HB2 MET A1046 -0.660 -19.637 1.665 1.00 0.00 H new ATOM 0 HB3 MET A1046 -2.126 -20.257 0.932 1.00 0.00 H new ATOM 0 HG2 MET A1046 -1.815 -22.411 2.102 1.00 0.00 H new ATOM 0 HG3 MET A1046 -0.328 -21.818 2.816 1.00 0.00 H new ATOM 0 HE1 MET A1046 -2.821 -21.904 5.871 1.00 0.00 H new ATOM 0 HE2 MET A1046 -2.764 -23.039 4.501 1.00 0.00 H new ATOM 0 HE3 MET A1046 -1.252 -22.456 5.237 1.00 0.00 H new ATOM 2034 N ILE A1047 -2.029 -22.002 -1.320 1.00 0.00 N ATOM 2035 CA ILE A1047 -2.691 -23.020 -2.134 1.00 0.00 C ATOM 2036 C ILE A1047 -1.680 -23.676 -3.075 1.00 0.00 C ATOM 2037 O ILE A1047 -1.652 -24.898 -3.227 1.00 0.00 O ATOM 2038 CB ILE A1047 -3.832 -22.417 -2.976 1.00 0.00 C ATOM 2039 CG1 ILE A1047 -4.864 -21.754 -2.065 1.00 0.00 C ATOM 2040 CG2 ILE A1047 -4.486 -23.487 -3.842 1.00 0.00 C ATOM 2041 CD1 ILE A1047 -5.505 -22.702 -1.071 1.00 0.00 C ATOM 0 H ILE A1047 -2.397 -21.059 -1.448 1.00 0.00 H new ATOM 0 HA ILE A1047 -3.111 -23.761 -1.454 1.00 0.00 H new ATOM 0 HB ILE A1047 -3.413 -21.658 -3.637 1.00 0.00 H new ATOM 0 HG12 ILE A1047 -4.384 -20.941 -1.520 1.00 0.00 H new ATOM 0 HG13 ILE A1047 -5.644 -21.307 -2.681 1.00 0.00 H new ATOM 0 HG21 ILE A1047 -5.289 -23.040 -4.428 1.00 0.00 H new ATOM 0 HG22 ILE A1047 -3.742 -23.917 -4.513 1.00 0.00 H new ATOM 0 HG23 ILE A1047 -4.895 -24.271 -3.205 1.00 0.00 H new ATOM 0 HD11 ILE A1047 -6.225 -22.157 -0.461 1.00 0.00 H new ATOM 0 HD12 ILE A1047 -6.015 -23.502 -1.608 1.00 0.00 H new ATOM 0 HD13 ILE A1047 -4.736 -23.130 -0.428 1.00 0.00 H new ATOM 2053 N SER A1048 -0.837 -22.835 -3.672 1.00 0.00 N ATOM 2054 CA SER A1048 0.194 -23.258 -4.617 1.00 0.00 C ATOM 2055 C SER A1048 1.102 -24.348 -4.035 1.00 0.00 C ATOM 2056 O SER A1048 1.629 -25.184 -4.767 1.00 0.00 O ATOM 2057 CB SER A1048 1.037 -22.037 -5.021 1.00 0.00 C ATOM 2058 OG SER A1048 0.243 -21.050 -5.669 1.00 0.00 O ATOM 0 H SER A1048 -0.851 -21.828 -3.511 1.00 0.00 H new ATOM 0 HA SER A1048 -0.302 -23.684 -5.489 1.00 0.00 H new ATOM 0 HB2 SER A1048 1.504 -21.606 -4.135 1.00 0.00 H new ATOM 0 HB3 SER A1048 1.842 -22.352 -5.685 1.00 0.00 H new ATOM 0 HG SER A1048 -0.423 -20.701 -5.040 1.00 0.00 H new ATOM 2064 N GLN A1049 1.280 -24.338 -2.720 1.00 0.00 N ATOM 2065 CA GLN A1049 2.174 -25.288 -2.072 1.00 0.00 C ATOM 2066 C GLN A1049 1.419 -26.337 -1.263 1.00 0.00 C ATOM 2067 O GLN A1049 1.894 -27.459 -1.103 1.00 0.00 O ATOM 2068 CB GLN A1049 3.160 -24.544 -1.177 1.00 0.00 C ATOM 2069 CG GLN A1049 4.210 -23.776 -1.957 1.00 0.00 C ATOM 2070 CD GLN A1049 5.156 -24.692 -2.703 1.00 0.00 C ATOM 2071 OE1 GLN A1049 6.189 -25.098 -2.172 1.00 0.00 O ATOM 2072 NE2 GLN A1049 4.812 -25.032 -3.931 1.00 0.00 N ATOM 0 H GLN A1049 0.820 -23.686 -2.085 1.00 0.00 H new ATOM 0 HA GLN A1049 2.714 -25.816 -2.858 1.00 0.00 H new ATOM 0 HB2 GLN A1049 2.611 -23.851 -0.539 1.00 0.00 H new ATOM 0 HB3 GLN A1049 3.655 -25.259 -0.519 1.00 0.00 H new ATOM 0 HG2 GLN A1049 3.718 -23.110 -2.666 1.00 0.00 H new ATOM 0 HG3 GLN A1049 4.780 -23.148 -1.273 1.00 0.00 H new ATOM 0 HE21 GLN A1049 3.947 -24.674 -4.336 1.00 0.00 H new ATOM 0 HE22 GLN A1049 5.411 -25.653 -4.475 1.00 0.00 H new