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: A1006 GLN : amide:sc= -4.66! C(o=-7.2!,f=-3.3!) USER MOD Set 1.2: A1014 GLN : amide:sc= -2.59! K(o=-7.2!,f=-3.3) USER MOD Set 2.1: A1002 MET CE :methyl -129:sc= -1.79 (180deg=-3.11!) USER MOD Set 2.2: A1021 MET CE :methyl 121:sc= -1.58! (180deg=-1.97!) USER MOD Set 3.1: A 972 SER OG : rot -16:sc= -1.81! USER MOD Set 3.2: A 980 THR OG1 : rot 161:sc= -1.95 USER MOD Set 4.1: A 928 ASN : amide:sc= -2.18 K(o=-3.1,f=-6.8!) USER MOD Set 4.2: A 968 THR OG1 : rot -107:sc= -0.91 USER MOD Single : A 921 SER OG : rot 180:sc= 0 USER MOD Single : A 922 ASN : amide:sc= -0.783 X(o=-0.78,f=-0.42) USER MOD Single : A 924 LYS NZ :NH3+ 164:sc= -0.0776 (180deg=-0.346) USER MOD Single : A 926 TYR OH : rot 180:sc= 0 USER MOD Single : A 930 THR OG1 : rot 82:sc= 0.97 USER MOD Single : A 934 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 939 MET CE :methyl -133:sc= -2.18! (180deg=-4.53!) USER MOD Single : A 940 SER OG : rot 180:sc= 0 USER MOD Single : A 941 SER OG : rot 8:sc= -1.14 USER MOD Single : A 942 LYS NZ :NH3+ 160:sc= 0.638 (180deg=0.469) USER MOD Single : A 944 GLN : amide:sc= -0.65 K(o=-0.65,f=-1.4) USER MOD Single : A 951 TYR OH : rot 180:sc= 0 USER MOD Single : A 954 MET CE :methyl 148:sc= -9! (180deg=-13.6!) USER MOD Single : A 956 LYS NZ :NH3+ -164:sc= -0.0714 (180deg=-0.382) USER MOD Single : A 964 THR OG1 : rot 88:sc=-0.00054 USER MOD Single : A 979 SER OG : rot 5:sc= 1.21 USER MOD Single : A 981 HIS : no HE2:sc= 0.894 K(o=0.89,f=-3.3!) USER MOD Single : A 986 MET CE :methyl 148:sc= -0.65 (180deg=-1.81!) USER MOD Single : A 988 GLN : amide:sc= -1.07 K(o=-1.1,f=-2.3!) USER MOD Single : A 989 LYS NZ :NH3+ -149:sc= 1.24 (180deg=0.881) USER MOD Single : A 992 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 993 SER OG : rot 67:sc= 1.26 USER MOD Single : A1000 ASN : amide:sc= -0.0944 X(o=-0.094,f=-0.022) USER MOD Single : A1001 LYS NZ :NH3+ -128:sc= 1.18 (180deg=-0.213) USER MOD Single : A1003 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00891) USER MOD Single : A1007 GLN : amide:sc= -0.816 K(o=-0.82,f=-0.18) USER MOD Single : A1008 TYR OH : rot 180:sc= 0 USER MOD Single : A1015 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A1017 TYR OH : rot -146:sc= 0.0115 USER MOD Single : A1018 LYS NZ :NH3+ 170:sc= 0.0152 (180deg=-0.122) USER MOD Single : A1019 LYS NZ :NH3+ 166:sc= -0.0447 (180deg=-0.267) USER MOD Single : A1020 GLN : amide:sc= 0.543 K(o=0.54,f=-0.79) USER MOD Single : A1023 THR OG1 : rot 180:sc= 0 USER MOD Single : A1026 HIS : no HD1:sc= 0 X(o=0,f=-0.0025) USER MOD Single : A1033 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1034 ASN : amide:sc= -0.117 K(o=-0.12,f=-1.1) USER MOD Single : A1041 GLN : amide:sc= 0.232 X(o=0.23,f=-0.06) USER MOD Single : A1045 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1046 MET CE :methyl -155:sc= -0.209 (180deg=-0.871) USER MOD Single : A1048 SER OG : rot 65:sc= 1.27 USER MOD Single : A1049 GLN : amide:sc= -0.0135 X(o=-0.013,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 920 -8.602 -21.013 -1.344 1.00 0.00 N ATOM 2 CA ARG A 920 -8.336 -20.008 -0.338 1.00 0.00 C ATOM 3 C ARG A 920 -9.040 -18.716 -0.679 1.00 0.00 C ATOM 4 O ARG A 920 -8.713 -18.073 -1.681 1.00 0.00 O ATOM 5 CB ARG A 920 -6.845 -19.728 -0.232 1.00 0.00 C ATOM 6 CG ARG A 920 -6.504 -18.604 0.727 1.00 0.00 C ATOM 7 CD ARG A 920 -6.484 -19.038 2.183 1.00 0.00 C ATOM 8 NE ARG A 920 -7.689 -19.765 2.587 1.00 0.00 N ATOM 9 CZ ARG A 920 -8.403 -19.469 3.672 1.00 0.00 C ATOM 10 NH1 ARG A 920 -8.058 -18.444 4.441 1.00 0.00 N ATOM 11 NH2 ARG A 920 -9.459 -20.208 3.987 1.00 0.00 N ATOM 0 HA ARG A 920 -8.705 -20.393 0.613 1.00 0.00 H new ATOM 0 HB2 ARG A 920 -6.336 -20.636 0.090 1.00 0.00 H new ATOM 0 HB3 ARG A 920 -6.459 -19.480 -1.221 1.00 0.00 H new ATOM 0 HG2 ARG A 920 -5.528 -18.195 0.464 1.00 0.00 H new ATOM 0 HG3 ARG A 920 -7.230 -17.800 0.605 1.00 0.00 H new ATOM 0 HD2 ARG A 920 -5.612 -19.669 2.355 1.00 0.00 H new ATOM 0 HD3 ARG A 920 -6.370 -18.158 2.816 1.00 0.00 H new ATOM 0 HE ARG A 920 -8.000 -20.543 2.004 1.00 0.00 H new ATOM 0 HH11 ARG A 920 -7.243 -17.879 4.202 1.00 0.00 H new ATOM 0 HH12 ARG A 920 -8.608 -18.221 5.271 1.00 0.00 H new ATOM 0 HH21 ARG A 920 -9.721 -20.999 3.399 1.00 0.00 H new ATOM 0 HH22 ARG A 920 -10.008 -19.985 4.817 1.00 0.00 H new ATOM 25 N SER A 921 -10.002 -18.341 0.137 1.00 0.00 N ATOM 26 CA SER A 921 -10.534 -17.003 0.074 1.00 0.00 C ATOM 27 C SER A 921 -9.395 -16.025 0.324 1.00 0.00 C ATOM 28 O SER A 921 -8.508 -16.308 1.130 1.00 0.00 O ATOM 29 CB SER A 921 -11.638 -16.821 1.113 1.00 0.00 C ATOM 30 OG SER A 921 -12.615 -17.837 0.996 1.00 0.00 O ATOM 0 H SER A 921 -10.427 -18.940 0.845 1.00 0.00 H new ATOM 0 HA SER A 921 -10.970 -16.819 -0.908 1.00 0.00 H new ATOM 0 HB2 SER A 921 -11.207 -16.839 2.114 1.00 0.00 H new ATOM 0 HB3 SER A 921 -12.106 -15.845 0.985 1.00 0.00 H new ATOM 0 HG SER A 921 -13.311 -17.701 1.672 1.00 0.00 H new ATOM 36 N ASN A 922 -9.389 -14.913 -0.397 1.00 0.00 N ATOM 37 CA ASN A 922 -8.304 -13.962 -0.340 1.00 0.00 C ATOM 38 C ASN A 922 -8.236 -13.287 1.000 1.00 0.00 C ATOM 39 O ASN A 922 -8.667 -12.142 1.145 1.00 0.00 O ATOM 40 CB ASN A 922 -8.441 -12.916 -1.432 1.00 0.00 C ATOM 41 CG ASN A 922 -9.307 -13.406 -2.566 1.00 0.00 C ATOM 42 OD1 ASN A 922 -10.513 -13.170 -2.597 1.00 0.00 O ATOM 43 ND2 ASN A 922 -8.697 -14.118 -3.483 1.00 0.00 N ATOM 0 H ASN A 922 -10.139 -14.651 -1.036 1.00 0.00 H new ATOM 0 HA ASN A 922 -7.380 -14.519 -0.495 1.00 0.00 H new ATOM 0 HB2 ASN A 922 -8.870 -12.006 -1.013 1.00 0.00 H new ATOM 0 HB3 ASN A 922 -7.454 -12.656 -1.814 1.00 0.00 H new ATOM 0 HD21 ASN A 922 -9.226 -14.503 -4.265 1.00 0.00 H new ATOM 0 HD22 ASN A 922 -7.693 -14.287 -3.414 1.00 0.00 H new ATOM 50 N ASP A 923 -7.607 -14.007 1.921 1.00 0.00 N ATOM 51 CA ASP A 923 -7.553 -13.717 3.349 1.00 0.00 C ATOM 52 C ASP A 923 -7.235 -12.257 3.650 1.00 0.00 C ATOM 53 O ASP A 923 -7.143 -11.417 2.766 1.00 0.00 O ATOM 54 CB ASP A 923 -6.495 -14.630 3.985 1.00 0.00 C ATOM 55 CG ASP A 923 -6.740 -14.910 5.456 1.00 0.00 C ATOM 56 OD1 ASP A 923 -6.270 -14.126 6.306 1.00 0.00 O ATOM 57 OD2 ASP A 923 -7.386 -15.927 5.768 1.00 0.00 O ATOM 0 H ASP A 923 -7.093 -14.854 1.679 1.00 0.00 H new ATOM 0 HA ASP A 923 -8.540 -13.906 3.771 1.00 0.00 H new ATOM 0 HB2 ASP A 923 -6.470 -15.575 3.443 1.00 0.00 H new ATOM 0 HB3 ASP A 923 -5.514 -14.170 3.870 1.00 0.00 H new ATOM 62 N LYS A 924 -7.072 -11.973 4.919 1.00 0.00 N ATOM 63 CA LYS A 924 -6.762 -10.630 5.415 1.00 0.00 C ATOM 64 C LYS A 924 -5.697 -9.943 4.540 1.00 0.00 C ATOM 65 O LYS A 924 -5.572 -8.717 4.531 1.00 0.00 O ATOM 66 CB LYS A 924 -6.290 -10.747 6.868 1.00 0.00 C ATOM 67 CG LYS A 924 -6.497 -9.497 7.708 1.00 0.00 C ATOM 68 CD LYS A 924 -5.390 -8.480 7.505 1.00 0.00 C ATOM 69 CE LYS A 924 -5.623 -7.232 8.337 1.00 0.00 C ATOM 70 NZ LYS A 924 -5.743 -7.550 9.785 1.00 0.00 N ATOM 0 H LYS A 924 -7.150 -12.671 5.658 1.00 0.00 H new ATOM 0 HA LYS A 924 -7.657 -10.009 5.368 1.00 0.00 H new ATOM 0 HB2 LYS A 924 -6.816 -11.576 7.340 1.00 0.00 H new ATOM 0 HB3 LYS A 924 -5.229 -10.999 6.872 1.00 0.00 H new ATOM 0 HG2 LYS A 924 -7.455 -9.044 7.453 1.00 0.00 H new ATOM 0 HG3 LYS A 924 -6.546 -9.773 8.761 1.00 0.00 H new ATOM 0 HD2 LYS A 924 -4.432 -8.925 7.774 1.00 0.00 H new ATOM 0 HD3 LYS A 924 -5.331 -8.210 6.451 1.00 0.00 H new ATOM 0 HE2 LYS A 924 -4.799 -6.534 8.185 1.00 0.00 H new ATOM 0 HE3 LYS A 924 -6.531 -6.733 7.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 924 -5.630 -6.679 10.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 924 -6.679 -7.962 9.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 924 -5.004 -8.231 10.053 1.00 0.00 H new ATOM 84 N VAL A 925 -4.960 -10.748 3.779 1.00 0.00 N ATOM 85 CA VAL A 925 -4.013 -10.245 2.817 1.00 0.00 C ATOM 86 C VAL A 925 -4.686 -9.377 1.757 1.00 0.00 C ATOM 87 O VAL A 925 -4.354 -8.207 1.665 1.00 0.00 O ATOM 88 CB VAL A 925 -3.257 -11.398 2.117 1.00 0.00 C ATOM 89 CG1 VAL A 925 -2.129 -11.906 3.003 1.00 0.00 C ATOM 90 CG2 VAL A 925 -4.196 -12.546 1.777 1.00 0.00 C ATOM 0 H VAL A 925 -5.011 -11.766 3.820 1.00 0.00 H new ATOM 0 HA VAL A 925 -3.304 -9.633 3.375 1.00 0.00 H new ATOM 0 HB VAL A 925 -2.840 -11.006 1.189 1.00 0.00 H new ATOM 0 HG11 VAL A 925 -1.606 -12.717 2.497 1.00 0.00 H new ATOM 0 HG12 VAL A 925 -1.430 -11.094 3.204 1.00 0.00 H new ATOM 0 HG13 VAL A 925 -2.541 -12.271 3.944 1.00 0.00 H new ATOM 0 HG21 VAL A 925 -3.635 -13.341 1.286 1.00 0.00 H new ATOM 0 HG22 VAL A 925 -4.646 -12.931 2.692 1.00 0.00 H new ATOM 0 HG23 VAL A 925 -4.980 -12.189 1.109 1.00 0.00 H new ATOM 100 N TYR A 926 -5.695 -9.891 1.033 1.00 0.00 N ATOM 101 CA TYR A 926 -6.275 -9.116 -0.072 1.00 0.00 C ATOM 102 C TYR A 926 -7.221 -8.072 0.513 1.00 0.00 C ATOM 103 O TYR A 926 -7.489 -7.017 -0.074 1.00 0.00 O ATOM 104 CB TYR A 926 -7.014 -10.048 -1.032 1.00 0.00 C ATOM 105 CG TYR A 926 -7.890 -9.343 -2.046 1.00 0.00 C ATOM 106 CD1 TYR A 926 -7.343 -8.696 -3.149 1.00 0.00 C ATOM 107 CD2 TYR A 926 -9.270 -9.333 -1.896 1.00 0.00 C ATOM 108 CE1 TYR A 926 -8.151 -8.059 -4.071 1.00 0.00 C ATOM 109 CE2 TYR A 926 -10.083 -8.699 -2.813 1.00 0.00 C ATOM 110 CZ TYR A 926 -9.519 -8.064 -3.898 1.00 0.00 C ATOM 111 OH TYR A 926 -10.329 -7.423 -4.808 1.00 0.00 O ATOM 0 H TYR A 926 -6.113 -10.809 1.186 1.00 0.00 H new ATOM 0 HA TYR A 926 -5.489 -8.613 -0.635 1.00 0.00 H new ATOM 0 HB2 TYR A 926 -6.282 -10.655 -1.564 1.00 0.00 H new ATOM 0 HB3 TYR A 926 -7.632 -10.731 -0.450 1.00 0.00 H new ATOM 0 HD1 TYR A 926 -6.272 -8.691 -3.287 1.00 0.00 H new ATOM 0 HD2 TYR A 926 -9.715 -9.830 -1.047 1.00 0.00 H new ATOM 0 HE1 TYR A 926 -7.713 -7.560 -4.923 1.00 0.00 H new ATOM 0 HE2 TYR A 926 -11.155 -8.700 -2.681 1.00 0.00 H new ATOM 0 HH TYR A 926 -11.266 -7.523 -4.539 1.00 0.00 H new ATOM 121 N GLU A 927 -7.710 -8.399 1.697 1.00 0.00 N ATOM 122 CA GLU A 927 -8.644 -7.562 2.427 1.00 0.00 C ATOM 123 C GLU A 927 -8.025 -6.223 2.809 1.00 0.00 C ATOM 124 O GLU A 927 -8.469 -5.171 2.346 1.00 0.00 O ATOM 125 CB GLU A 927 -9.099 -8.307 3.681 1.00 0.00 C ATOM 126 CG GLU A 927 -9.973 -9.513 3.386 1.00 0.00 C ATOM 127 CD GLU A 927 -10.452 -10.212 4.642 1.00 0.00 C ATOM 128 OE1 GLU A 927 -9.981 -9.862 5.747 1.00 0.00 O ATOM 129 OE2 GLU A 927 -11.310 -11.114 4.530 1.00 0.00 O ATOM 0 H GLU A 927 -7.467 -9.262 2.183 1.00 0.00 H new ATOM 0 HA GLU A 927 -9.497 -7.351 1.782 1.00 0.00 H new ATOM 0 HB2 GLU A 927 -8.221 -8.632 4.239 1.00 0.00 H new ATOM 0 HB3 GLU A 927 -9.648 -7.619 4.324 1.00 0.00 H new ATOM 0 HG2 GLU A 927 -10.836 -9.196 2.800 1.00 0.00 H new ATOM 0 HG3 GLU A 927 -9.414 -10.220 2.773 1.00 0.00 H new ATOM 136 N ASN A 928 -6.985 -6.272 3.626 1.00 0.00 N ATOM 137 CA ASN A 928 -6.417 -5.065 4.216 1.00 0.00 C ATOM 138 C ASN A 928 -5.652 -4.229 3.194 1.00 0.00 C ATOM 139 O ASN A 928 -5.619 -3.008 3.290 1.00 0.00 O ATOM 140 CB ASN A 928 -5.501 -5.435 5.375 1.00 0.00 C ATOM 141 CG ASN A 928 -4.978 -4.230 6.129 1.00 0.00 C ATOM 142 OD1 ASN A 928 -3.855 -4.243 6.618 1.00 0.00 O ATOM 143 ND2 ASN A 928 -5.794 -3.194 6.257 1.00 0.00 N ATOM 0 H ASN A 928 -6.514 -7.135 3.898 1.00 0.00 H new ATOM 0 HA ASN A 928 -7.246 -4.458 4.580 1.00 0.00 H new ATOM 0 HB2 ASN A 928 -6.043 -6.081 6.066 1.00 0.00 H new ATOM 0 HB3 ASN A 928 -4.658 -6.011 4.994 1.00 0.00 H new ATOM 0 HD21 ASN A 928 -5.494 -2.370 6.777 1.00 0.00 H new ATOM 0 HD22 ASN A 928 -6.722 -3.221 5.835 1.00 0.00 H new ATOM 150 N VAL A 929 -5.028 -4.886 2.229 1.00 0.00 N ATOM 151 CA VAL A 929 -4.307 -4.182 1.170 1.00 0.00 C ATOM 152 C VAL A 929 -5.236 -3.277 0.367 1.00 0.00 C ATOM 153 O VAL A 929 -4.848 -2.180 -0.043 1.00 0.00 O ATOM 154 CB VAL A 929 -3.596 -5.169 0.240 1.00 0.00 C ATOM 155 CG1 VAL A 929 -2.473 -5.856 0.991 1.00 0.00 C ATOM 156 CG2 VAL A 929 -4.592 -6.170 -0.300 1.00 0.00 C ATOM 0 H VAL A 929 -5.004 -5.903 2.154 1.00 0.00 H new ATOM 0 HA VAL A 929 -3.557 -3.555 1.652 1.00 0.00 H new ATOM 0 HB VAL A 929 -3.163 -4.635 -0.606 1.00 0.00 H new ATOM 0 HG11 VAL A 929 -1.968 -6.558 0.328 1.00 0.00 H new ATOM 0 HG12 VAL A 929 -1.759 -5.110 1.341 1.00 0.00 H new ATOM 0 HG13 VAL A 929 -2.883 -6.395 1.845 1.00 0.00 H new ATOM 0 HG21 VAL A 929 -4.082 -6.870 -0.961 1.00 0.00 H new ATOM 0 HG22 VAL A 929 -5.044 -6.716 0.528 1.00 0.00 H new ATOM 0 HG23 VAL A 929 -5.369 -5.646 -0.856 1.00 0.00 H new ATOM 166 N THR A 930 -6.467 -3.729 0.156 1.00 0.00 N ATOM 167 CA THR A 930 -7.487 -2.877 -0.426 1.00 0.00 C ATOM 168 C THR A 930 -7.715 -1.687 0.501 1.00 0.00 C ATOM 169 O THR A 930 -7.902 -0.554 0.058 1.00 0.00 O ATOM 170 CB THR A 930 -8.802 -3.659 -0.635 1.00 0.00 C ATOM 171 OG1 THR A 930 -8.558 -4.801 -1.472 1.00 0.00 O ATOM 172 CG2 THR A 930 -9.870 -2.780 -1.269 1.00 0.00 C ATOM 0 H THR A 930 -6.778 -4.675 0.379 1.00 0.00 H new ATOM 0 HA THR A 930 -7.154 -2.526 -1.403 1.00 0.00 H new ATOM 0 HB THR A 930 -9.163 -3.986 0.340 1.00 0.00 H new ATOM 0 HG1 THR A 930 -8.189 -5.530 -0.931 1.00 0.00 H new ATOM 0 HG21 THR A 930 -10.784 -3.358 -1.404 1.00 0.00 H new ATOM 0 HG22 THR A 930 -10.072 -1.928 -0.620 1.00 0.00 H new ATOM 0 HG23 THR A 930 -9.520 -2.424 -2.238 1.00 0.00 H new ATOM 180 N GLY A 931 -7.642 -1.974 1.796 1.00 0.00 N ATOM 181 CA GLY A 931 -7.735 -0.950 2.819 1.00 0.00 C ATOM 182 C GLY A 931 -6.666 0.126 2.692 1.00 0.00 C ATOM 183 O GLY A 931 -6.901 1.267 3.086 1.00 0.00 O ATOM 0 H GLY A 931 -7.517 -2.919 2.160 1.00 0.00 H new ATOM 0 HA2 GLY A 931 -8.719 -0.483 2.768 1.00 0.00 H new ATOM 0 HA3 GLY A 931 -7.655 -1.418 3.800 1.00 0.00 H new ATOM 187 N LEU A 932 -5.493 -0.217 2.145 1.00 0.00 N ATOM 188 CA LEU A 932 -4.466 0.793 1.891 1.00 0.00 C ATOM 189 C LEU A 932 -5.007 1.775 0.862 1.00 0.00 C ATOM 190 O LEU A 932 -4.992 2.979 1.083 1.00 0.00 O ATOM 191 CB LEU A 932 -3.145 0.163 1.394 1.00 0.00 C ATOM 192 CG LEU A 932 -1.866 1.017 1.582 1.00 0.00 C ATOM 193 CD1 LEU A 932 -0.638 0.274 1.087 1.00 0.00 C ATOM 194 CD2 LEU A 932 -1.961 2.355 0.866 1.00 0.00 C ATOM 0 H LEU A 932 -5.237 -1.167 1.876 1.00 0.00 H new ATOM 0 HA LEU A 932 -4.236 1.306 2.825 1.00 0.00 H new ATOM 0 HB2 LEU A 932 -3.002 -0.786 1.911 1.00 0.00 H new ATOM 0 HB3 LEU A 932 -3.252 -0.065 0.333 1.00 0.00 H new ATOM 0 HG LEU A 932 -1.774 1.204 2.652 1.00 0.00 H new ATOM 0 HD11 LEU A 932 0.246 0.896 1.230 1.00 0.00 H new ATOM 0 HD12 LEU A 932 -0.524 -0.654 1.647 1.00 0.00 H new ATOM 0 HD13 LEU A 932 -0.753 0.046 0.027 1.00 0.00 H new ATOM 0 HD21 LEU A 932 -1.042 2.919 1.026 1.00 0.00 H new ATOM 0 HD22 LEU A 932 -2.103 2.187 -0.202 1.00 0.00 H new ATOM 0 HD23 LEU A 932 -2.806 2.919 1.260 1.00 0.00 H new ATOM 206 N VAL A 933 -5.517 1.246 -0.244 1.00 0.00 N ATOM 207 CA VAL A 933 -6.101 2.079 -1.291 1.00 0.00 C ATOM 208 C VAL A 933 -7.255 2.914 -0.725 1.00 0.00 C ATOM 209 O VAL A 933 -7.388 4.097 -1.025 1.00 0.00 O ATOM 210 CB VAL A 933 -6.615 1.223 -2.469 1.00 0.00 C ATOM 211 CG1 VAL A 933 -7.106 2.107 -3.607 1.00 0.00 C ATOM 212 CG2 VAL A 933 -5.533 0.273 -2.956 1.00 0.00 C ATOM 0 H VAL A 933 -5.538 0.245 -0.440 1.00 0.00 H new ATOM 0 HA VAL A 933 -5.318 2.741 -1.660 1.00 0.00 H new ATOM 0 HB VAL A 933 -7.457 0.629 -2.113 1.00 0.00 H new ATOM 0 HG11 VAL A 933 -7.463 1.482 -4.425 1.00 0.00 H new ATOM 0 HG12 VAL A 933 -7.920 2.739 -3.252 1.00 0.00 H new ATOM 0 HG13 VAL A 933 -6.287 2.734 -3.960 1.00 0.00 H new ATOM 0 HG21 VAL A 933 -5.916 -0.320 -3.786 1.00 0.00 H new ATOM 0 HG22 VAL A 933 -4.668 0.847 -3.289 1.00 0.00 H new ATOM 0 HG23 VAL A 933 -5.237 -0.390 -2.142 1.00 0.00 H new ATOM 222 N LYS A 934 -8.077 2.287 0.110 1.00 0.00 N ATOM 223 CA LYS A 934 -9.185 2.979 0.763 1.00 0.00 C ATOM 224 C LYS A 934 -8.651 4.078 1.679 1.00 0.00 C ATOM 225 O LYS A 934 -9.306 5.094 1.898 1.00 0.00 O ATOM 226 CB LYS A 934 -10.047 2.005 1.579 1.00 0.00 C ATOM 227 CG LYS A 934 -10.490 0.733 0.848 1.00 0.00 C ATOM 228 CD LYS A 934 -11.375 1.003 -0.366 1.00 0.00 C ATOM 229 CE LYS A 934 -10.553 1.231 -1.626 1.00 0.00 C ATOM 230 NZ LYS A 934 -11.393 1.217 -2.853 1.00 0.00 N ATOM 0 H LYS A 934 -7.997 1.299 0.351 1.00 0.00 H new ATOM 0 HA LYS A 934 -9.807 3.421 -0.015 1.00 0.00 H new ATOM 0 HB2 LYS A 934 -9.489 1.714 2.469 1.00 0.00 H new ATOM 0 HB3 LYS A 934 -10.937 2.535 1.919 1.00 0.00 H new ATOM 0 HG2 LYS A 934 -9.606 0.182 0.527 1.00 0.00 H new ATOM 0 HG3 LYS A 934 -11.030 0.092 1.545 1.00 0.00 H new ATOM 0 HD2 LYS A 934 -12.049 0.160 -0.519 1.00 0.00 H new ATOM 0 HD3 LYS A 934 -11.997 1.877 -0.175 1.00 0.00 H new ATOM 0 HE2 LYS A 934 -10.036 2.188 -1.552 1.00 0.00 H new ATOM 0 HE3 LYS A 934 -9.787 0.459 -1.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 934 -10.792 1.376 -3.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 934 -11.867 0.295 -2.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 934 -12.108 1.970 -2.793 1.00 0.00 H new ATOM 244 N ALA A 935 -7.448 3.871 2.195 1.00 0.00 N ATOM 245 CA ALA A 935 -6.803 4.848 3.054 1.00 0.00 C ATOM 246 C ALA A 935 -6.190 5.966 2.222 1.00 0.00 C ATOM 247 O ALA A 935 -6.004 7.082 2.700 1.00 0.00 O ATOM 248 CB ALA A 935 -5.751 4.190 3.927 1.00 0.00 C ATOM 0 H ALA A 935 -6.897 3.028 2.031 1.00 0.00 H new ATOM 0 HA ALA A 935 -7.560 5.280 3.708 1.00 0.00 H new ATOM 0 HB1 ALA A 935 -5.282 4.942 4.561 1.00 0.00 H new ATOM 0 HB2 ALA A 935 -6.220 3.430 4.552 1.00 0.00 H new ATOM 0 HB3 ALA A 935 -4.994 3.724 3.296 1.00 0.00 H new ATOM 254 N VAL A 936 -5.858 5.675 0.972 1.00 0.00 N ATOM 255 CA VAL A 936 -5.398 6.728 0.095 1.00 0.00 C ATOM 256 C VAL A 936 -6.601 7.522 -0.412 1.00 0.00 C ATOM 257 O VAL A 936 -6.466 8.623 -0.947 1.00 0.00 O ATOM 258 CB VAL A 936 -4.526 6.229 -1.085 1.00 0.00 C ATOM 259 CG1 VAL A 936 -3.733 4.992 -0.708 1.00 0.00 C ATOM 260 CG2 VAL A 936 -5.340 5.986 -2.351 1.00 0.00 C ATOM 0 H VAL A 936 -5.898 4.744 0.556 1.00 0.00 H new ATOM 0 HA VAL A 936 -4.742 7.370 0.683 1.00 0.00 H new ATOM 0 HB VAL A 936 -3.821 7.031 -1.306 1.00 0.00 H new ATOM 0 HG11 VAL A 936 -3.133 4.671 -1.560 1.00 0.00 H new ATOM 0 HG12 VAL A 936 -3.077 5.222 0.131 1.00 0.00 H new ATOM 0 HG13 VAL A 936 -4.418 4.193 -0.424 1.00 0.00 H new ATOM 0 HG21 VAL A 936 -4.681 5.638 -3.146 1.00 0.00 H new ATOM 0 HG22 VAL A 936 -6.102 5.231 -2.155 1.00 0.00 H new ATOM 0 HG23 VAL A 936 -5.820 6.915 -2.659 1.00 0.00 H new ATOM 270 N ILE A 937 -7.787 6.949 -0.227 1.00 0.00 N ATOM 271 CA ILE A 937 -9.021 7.687 -0.432 1.00 0.00 C ATOM 272 C ILE A 937 -9.154 8.731 0.672 1.00 0.00 C ATOM 273 O ILE A 937 -9.650 9.833 0.446 1.00 0.00 O ATOM 274 CB ILE A 937 -10.265 6.765 -0.443 1.00 0.00 C ATOM 275 CG1 ILE A 937 -10.169 5.759 -1.594 1.00 0.00 C ATOM 276 CG2 ILE A 937 -11.546 7.586 -0.558 1.00 0.00 C ATOM 277 CD1 ILE A 937 -11.335 4.794 -1.662 1.00 0.00 C ATOM 0 H ILE A 937 -7.915 5.980 0.063 1.00 0.00 H new ATOM 0 HA ILE A 937 -8.974 8.165 -1.410 1.00 0.00 H new ATOM 0 HB ILE A 937 -10.295 6.217 0.499 1.00 0.00 H new ATOM 0 HG12 ILE A 937 -10.105 6.304 -2.536 1.00 0.00 H new ATOM 0 HG13 ILE A 937 -9.245 5.191 -1.491 1.00 0.00 H new ATOM 0 HG21 ILE A 937 -12.407 6.918 -0.564 1.00 0.00 H new ATOM 0 HG22 ILE A 937 -11.620 8.266 0.291 1.00 0.00 H new ATOM 0 HG23 ILE A 937 -11.527 8.162 -1.483 1.00 0.00 H new ATOM 0 HD11 ILE A 937 -11.196 4.113 -2.502 1.00 0.00 H new ATOM 0 HD12 ILE A 937 -11.388 4.221 -0.736 1.00 0.00 H new ATOM 0 HD13 ILE A 937 -12.262 5.352 -1.797 1.00 0.00 H new ATOM 289 N GLU A 938 -8.693 8.363 1.868 1.00 0.00 N ATOM 290 CA GLU A 938 -8.574 9.308 2.977 1.00 0.00 C ATOM 291 C GLU A 938 -7.745 10.510 2.558 1.00 0.00 C ATOM 292 O GLU A 938 -8.048 11.635 2.927 1.00 0.00 O ATOM 293 CB GLU A 938 -7.932 8.656 4.200 1.00 0.00 C ATOM 294 CG GLU A 938 -8.684 7.434 4.704 1.00 0.00 C ATOM 295 CD GLU A 938 -10.135 7.728 5.020 1.00 0.00 C ATOM 296 OE1 GLU A 938 -10.427 8.164 6.154 1.00 0.00 O ATOM 297 OE2 GLU A 938 -10.994 7.515 4.137 1.00 0.00 O ATOM 0 H GLU A 938 -8.395 7.414 2.093 1.00 0.00 H new ATOM 0 HA GLU A 938 -9.581 9.629 3.243 1.00 0.00 H new ATOM 0 HB2 GLU A 938 -6.910 8.367 3.953 1.00 0.00 H new ATOM 0 HB3 GLU A 938 -7.870 9.391 5.003 1.00 0.00 H new ATOM 0 HG2 GLU A 938 -8.633 6.646 3.953 1.00 0.00 H new ATOM 0 HG3 GLU A 938 -8.192 7.054 5.599 1.00 0.00 H new ATOM 304 N MET A 939 -6.702 10.265 1.774 1.00 0.00 N ATOM 305 CA MET A 939 -5.886 11.350 1.237 1.00 0.00 C ATOM 306 C MET A 939 -6.756 12.305 0.421 1.00 0.00 C ATOM 307 O MET A 939 -6.653 13.525 0.547 1.00 0.00 O ATOM 308 CB MET A 939 -4.760 10.794 0.357 1.00 0.00 C ATOM 309 CG MET A 939 -3.969 11.866 -0.379 1.00 0.00 C ATOM 310 SD MET A 939 -2.764 11.183 -1.534 1.00 0.00 S ATOM 311 CE MET A 939 -1.660 10.325 -0.414 1.00 0.00 C ATOM 0 H MET A 939 -6.402 9.331 1.496 1.00 0.00 H new ATOM 0 HA MET A 939 -5.442 11.892 2.072 1.00 0.00 H new ATOM 0 HB2 MET A 939 -4.078 10.215 0.979 1.00 0.00 H new ATOM 0 HB3 MET A 939 -5.188 10.106 -0.372 1.00 0.00 H new ATOM 0 HG2 MET A 939 -4.660 12.511 -0.922 1.00 0.00 H new ATOM 0 HG3 MET A 939 -3.453 12.493 0.348 1.00 0.00 H new ATOM 0 HE1 MET A 939 -0.627 10.568 -0.664 1.00 0.00 H new ATOM 0 HE2 MET A 939 -1.868 10.634 0.610 1.00 0.00 H new ATOM 0 HE3 MET A 939 -1.812 9.250 -0.506 1.00 0.00 H new ATOM 321 N SER A 940 -7.632 11.729 -0.387 1.00 0.00 N ATOM 322 CA SER A 940 -8.533 12.500 -1.226 1.00 0.00 C ATOM 323 C SER A 940 -9.570 13.245 -0.380 1.00 0.00 C ATOM 324 O SER A 940 -9.870 14.413 -0.636 1.00 0.00 O ATOM 325 CB SER A 940 -9.226 11.568 -2.222 1.00 0.00 C ATOM 326 OG SER A 940 -8.276 10.750 -2.899 1.00 0.00 O ATOM 0 H SER A 940 -7.738 10.719 -0.479 1.00 0.00 H new ATOM 0 HA SER A 940 -7.953 13.244 -1.771 1.00 0.00 H new ATOM 0 HB2 SER A 940 -9.945 10.939 -1.698 1.00 0.00 H new ATOM 0 HB3 SER A 940 -9.787 12.157 -2.947 1.00 0.00 H new ATOM 0 HG SER A 940 -8.741 10.161 -3.529 1.00 0.00 H new ATOM 332 N SER A 941 -10.078 12.593 0.660 1.00 0.00 N ATOM 333 CA SER A 941 -11.160 13.170 1.438 1.00 0.00 C ATOM 334 C SER A 941 -10.601 14.243 2.353 1.00 0.00 C ATOM 335 O SER A 941 -11.221 15.282 2.575 1.00 0.00 O ATOM 336 CB SER A 941 -11.893 12.085 2.233 1.00 0.00 C ATOM 337 OG SER A 941 -10.985 11.265 2.949 1.00 0.00 O ATOM 0 H SER A 941 -9.761 11.677 0.978 1.00 0.00 H new ATOM 0 HA SER A 941 -11.887 13.626 0.766 1.00 0.00 H new ATOM 0 HB2 SER A 941 -12.591 12.551 2.929 1.00 0.00 H new ATOM 0 HB3 SER A 941 -12.483 11.470 1.553 1.00 0.00 H new ATOM 0 HG SER A 941 -10.082 11.640 2.881 1.00 0.00 H new ATOM 343 N LYS A 942 -9.401 13.978 2.840 1.00 0.00 N ATOM 344 CA LYS A 942 -8.667 14.895 3.686 1.00 0.00 C ATOM 345 C LYS A 942 -8.506 16.260 3.045 1.00 0.00 C ATOM 346 O LYS A 942 -8.762 17.277 3.679 1.00 0.00 O ATOM 347 CB LYS A 942 -7.297 14.305 3.996 1.00 0.00 C ATOM 348 CG LYS A 942 -7.248 13.603 5.332 1.00 0.00 C ATOM 349 CD LYS A 942 -7.265 14.629 6.434 1.00 0.00 C ATOM 350 CE LYS A 942 -7.953 14.110 7.689 1.00 0.00 C ATOM 351 NZ LYS A 942 -7.238 12.956 8.293 1.00 0.00 N ATOM 0 H LYS A 942 -8.905 13.106 2.654 1.00 0.00 H new ATOM 0 HA LYS A 942 -9.237 15.033 4.605 1.00 0.00 H new ATOM 0 HB2 LYS A 942 -7.025 13.600 3.211 1.00 0.00 H new ATOM 0 HB3 LYS A 942 -6.553 15.101 3.982 1.00 0.00 H new ATOM 0 HG2 LYS A 942 -8.099 12.930 5.433 1.00 0.00 H new ATOM 0 HG3 LYS A 942 -6.348 12.992 5.402 1.00 0.00 H new ATOM 0 HD2 LYS A 942 -6.242 14.918 6.675 1.00 0.00 H new ATOM 0 HD3 LYS A 942 -7.776 15.526 6.085 1.00 0.00 H new ATOM 0 HE2 LYS A 942 -8.022 14.915 8.421 1.00 0.00 H new ATOM 0 HE3 LYS A 942 -8.973 13.814 7.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 942 -7.523 12.853 9.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 942 -7.478 12.088 7.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 942 -6.212 13.118 8.242 1.00 0.00 H new ATOM 365 N ILE A 943 -8.091 16.289 1.790 1.00 0.00 N ATOM 366 CA ILE A 943 -7.802 17.553 1.138 1.00 0.00 C ATOM 367 C ILE A 943 -9.083 18.339 0.849 1.00 0.00 C ATOM 368 O ILE A 943 -9.055 19.565 0.732 1.00 0.00 O ATOM 369 CB ILE A 943 -6.997 17.356 -0.173 1.00 0.00 C ATOM 370 CG1 ILE A 943 -6.595 18.709 -0.770 1.00 0.00 C ATOM 371 CG2 ILE A 943 -7.789 16.540 -1.184 1.00 0.00 C ATOM 372 CD1 ILE A 943 -5.816 18.599 -2.064 1.00 0.00 C ATOM 0 H ILE A 943 -7.948 15.463 1.209 1.00 0.00 H new ATOM 0 HA ILE A 943 -7.188 18.128 1.832 1.00 0.00 H new ATOM 0 HB ILE A 943 -6.090 16.803 0.071 1.00 0.00 H new ATOM 0 HG12 ILE A 943 -7.494 19.299 -0.947 1.00 0.00 H new ATOM 0 HG13 ILE A 943 -5.995 19.254 -0.041 1.00 0.00 H new ATOM 0 HG21 ILE A 943 -7.201 16.417 -2.093 1.00 0.00 H new ATOM 0 HG22 ILE A 943 -8.015 15.560 -0.763 1.00 0.00 H new ATOM 0 HG23 ILE A 943 -8.719 17.057 -1.420 1.00 0.00 H new ATOM 0 HD11 ILE A 943 -5.567 19.597 -2.425 1.00 0.00 H new ATOM 0 HD12 ILE A 943 -4.898 18.037 -1.890 1.00 0.00 H new ATOM 0 HD13 ILE A 943 -6.421 18.083 -2.810 1.00 0.00 H new ATOM 384 N GLN A 944 -10.204 17.630 0.741 1.00 0.00 N ATOM 385 CA GLN A 944 -11.479 18.266 0.419 1.00 0.00 C ATOM 386 C GLN A 944 -11.867 19.366 1.426 1.00 0.00 C ATOM 387 O GLN A 944 -12.079 20.510 1.015 1.00 0.00 O ATOM 388 CB GLN A 944 -12.584 17.216 0.285 1.00 0.00 C ATOM 389 CG GLN A 944 -12.235 16.141 -0.726 1.00 0.00 C ATOM 390 CD GLN A 944 -13.301 15.082 -0.879 1.00 0.00 C ATOM 391 OE1 GLN A 944 -14.068 14.812 0.042 1.00 0.00 O ATOM 392 NE2 GLN A 944 -13.333 14.456 -2.042 1.00 0.00 N ATOM 0 H GLN A 944 -10.256 16.620 0.871 1.00 0.00 H new ATOM 0 HA GLN A 944 -11.355 18.765 -0.542 1.00 0.00 H new ATOM 0 HB2 GLN A 944 -12.763 16.754 1.256 1.00 0.00 H new ATOM 0 HB3 GLN A 944 -13.512 17.704 -0.012 1.00 0.00 H new ATOM 0 HG2 GLN A 944 -12.059 16.609 -1.694 1.00 0.00 H new ATOM 0 HG3 GLN A 944 -11.301 15.664 -0.428 1.00 0.00 H new ATOM 0 HE21 GLN A 944 -12.676 14.714 -2.778 1.00 0.00 H new ATOM 0 HE22 GLN A 944 -14.015 13.715 -2.204 1.00 0.00 H new ATOM 401 N PRO A 945 -11.992 19.079 2.744 1.00 0.00 N ATOM 402 CA PRO A 945 -12.349 20.108 3.718 1.00 0.00 C ATOM 403 C PRO A 945 -11.148 20.734 4.437 1.00 0.00 C ATOM 404 O PRO A 945 -11.263 21.806 5.034 1.00 0.00 O ATOM 405 CB PRO A 945 -13.206 19.320 4.704 1.00 0.00 C ATOM 406 CG PRO A 945 -12.650 17.930 4.684 1.00 0.00 C ATOM 407 CD PRO A 945 -11.873 17.774 3.396 1.00 0.00 C ATOM 0 HA PRO A 945 -12.838 20.961 3.247 1.00 0.00 H new ATOM 0 HB2 PRO A 945 -13.153 19.751 5.704 1.00 0.00 H new ATOM 0 HB3 PRO A 945 -14.255 19.329 4.408 1.00 0.00 H new ATOM 0 HG2 PRO A 945 -12.003 17.763 5.545 1.00 0.00 H new ATOM 0 HG3 PRO A 945 -13.452 17.194 4.740 1.00 0.00 H new ATOM 0 HD2 PRO A 945 -10.831 17.518 3.588 1.00 0.00 H new ATOM 0 HD3 PRO A 945 -12.287 16.979 2.775 1.00 0.00 H new ATOM 415 N ALA A 946 -9.997 20.081 4.366 1.00 0.00 N ATOM 416 CA ALA A 946 -8.848 20.489 5.165 1.00 0.00 C ATOM 417 C ALA A 946 -7.803 21.243 4.337 1.00 0.00 C ATOM 418 O ALA A 946 -7.767 21.138 3.112 1.00 0.00 O ATOM 419 CB ALA A 946 -8.234 19.271 5.832 1.00 0.00 C ATOM 0 H ALA A 946 -9.833 19.271 3.768 1.00 0.00 H new ATOM 0 HA ALA A 946 -9.199 21.183 5.929 1.00 0.00 H new ATOM 0 HB1 ALA A 946 -7.375 19.577 6.429 1.00 0.00 H new ATOM 0 HB2 ALA A 946 -8.974 18.798 6.477 1.00 0.00 H new ATOM 0 HB3 ALA A 946 -7.911 18.562 5.069 1.00 0.00 H new ATOM 425 N PRO A 947 -6.953 22.037 5.012 1.00 0.00 N ATOM 426 CA PRO A 947 -5.913 22.845 4.374 1.00 0.00 C ATOM 427 C PRO A 947 -4.550 22.119 4.281 1.00 0.00 C ATOM 428 O PRO A 947 -4.452 20.944 4.629 1.00 0.00 O ATOM 429 CB PRO A 947 -5.855 24.052 5.315 1.00 0.00 C ATOM 430 CG PRO A 947 -6.198 23.521 6.669 1.00 0.00 C ATOM 431 CD PRO A 947 -6.955 22.232 6.471 1.00 0.00 C ATOM 0 HA PRO A 947 -6.132 23.090 3.335 1.00 0.00 H new ATOM 0 HB2 PRO A 947 -4.864 24.505 5.311 1.00 0.00 H new ATOM 0 HB3 PRO A 947 -6.560 24.824 5.006 1.00 0.00 H new ATOM 0 HG2 PRO A 947 -5.294 23.349 7.254 1.00 0.00 H new ATOM 0 HG3 PRO A 947 -6.803 24.240 7.221 1.00 0.00 H new ATOM 0 HD2 PRO A 947 -6.471 21.402 6.985 1.00 0.00 H new ATOM 0 HD3 PRO A 947 -7.970 22.301 6.863 1.00 0.00 H new ATOM 439 N PRO A 948 -3.480 22.812 3.800 1.00 0.00 N ATOM 440 CA PRO A 948 -2.131 22.224 3.623 1.00 0.00 C ATOM 441 C PRO A 948 -1.591 21.475 4.841 1.00 0.00 C ATOM 442 O PRO A 948 -0.835 20.488 4.705 1.00 0.00 O ATOM 443 CB PRO A 948 -1.260 23.448 3.332 1.00 0.00 C ATOM 444 CG PRO A 948 -2.181 24.402 2.666 1.00 0.00 C ATOM 445 CD PRO A 948 -3.512 24.217 3.336 1.00 0.00 C ATOM 0 HA PRO A 948 -2.144 21.464 2.842 1.00 0.00 H new ATOM 0 HB2 PRO A 948 -0.846 23.869 4.248 1.00 0.00 H new ATOM 0 HB3 PRO A 948 -0.418 23.193 2.689 1.00 0.00 H new ATOM 0 HG2 PRO A 948 -1.828 25.427 2.774 1.00 0.00 H new ATOM 0 HG3 PRO A 948 -2.249 24.199 1.597 1.00 0.00 H new ATOM 0 HD2 PRO A 948 -3.641 24.910 4.167 1.00 0.00 H new ATOM 0 HD3 PRO A 948 -4.336 24.391 2.644 1.00 0.00 H new ATOM 453 N GLU A 949 -1.972 21.923 6.025 1.00 0.00 N ATOM 454 CA GLU A 949 -1.572 21.241 7.243 1.00 0.00 C ATOM 455 C GLU A 949 -1.982 19.784 7.198 1.00 0.00 C ATOM 456 O GLU A 949 -1.316 18.932 7.771 1.00 0.00 O ATOM 457 CB GLU A 949 -2.189 21.889 8.468 1.00 0.00 C ATOM 458 CG GLU A 949 -3.709 21.872 8.486 1.00 0.00 C ATOM 459 CD GLU A 949 -4.276 22.393 9.788 1.00 0.00 C ATOM 460 OE1 GLU A 949 -4.275 21.639 10.786 1.00 0.00 O ATOM 461 OE2 GLU A 949 -4.722 23.559 9.823 1.00 0.00 O ATOM 0 H GLU A 949 -2.553 22.749 6.168 1.00 0.00 H new ATOM 0 HA GLU A 949 -0.487 21.315 7.312 1.00 0.00 H new ATOM 0 HB2 GLU A 949 -1.821 21.379 9.358 1.00 0.00 H new ATOM 0 HB3 GLU A 949 -1.848 22.923 8.529 1.00 0.00 H new ATOM 0 HG2 GLU A 949 -4.086 22.476 7.661 1.00 0.00 H new ATOM 0 HG3 GLU A 949 -4.060 20.853 8.322 1.00 0.00 H new ATOM 468 N GLU A 950 -3.063 19.506 6.487 1.00 0.00 N ATOM 469 CA GLU A 950 -3.580 18.158 6.393 1.00 0.00 C ATOM 470 C GLU A 950 -3.116 17.496 5.107 1.00 0.00 C ATOM 471 O GLU A 950 -3.377 16.316 4.882 1.00 0.00 O ATOM 472 CB GLU A 950 -5.102 18.125 6.466 1.00 0.00 C ATOM 473 CG GLU A 950 -5.662 18.445 7.843 1.00 0.00 C ATOM 474 CD GLU A 950 -5.295 17.404 8.881 1.00 0.00 C ATOM 475 OE1 GLU A 950 -5.804 16.268 8.799 1.00 0.00 O ATOM 476 OE2 GLU A 950 -4.510 17.725 9.794 1.00 0.00 O ATOM 0 H GLU A 950 -3.598 20.201 5.966 1.00 0.00 H new ATOM 0 HA GLU A 950 -3.189 17.606 7.247 1.00 0.00 H new ATOM 0 HB2 GLU A 950 -5.506 18.837 5.746 1.00 0.00 H new ATOM 0 HB3 GLU A 950 -5.449 17.136 6.165 1.00 0.00 H new ATOM 0 HG2 GLU A 950 -5.291 19.418 8.164 1.00 0.00 H new ATOM 0 HG3 GLU A 950 -6.747 18.522 7.780 1.00 0.00 H new ATOM 483 N TYR A 951 -2.441 18.264 4.259 1.00 0.00 N ATOM 484 CA TYR A 951 -1.777 17.700 3.096 1.00 0.00 C ATOM 485 C TYR A 951 -0.841 16.604 3.562 1.00 0.00 C ATOM 486 O TYR A 951 -0.822 15.507 3.012 1.00 0.00 O ATOM 487 CB TYR A 951 -0.989 18.767 2.333 1.00 0.00 C ATOM 488 CG TYR A 951 -1.752 19.488 1.249 1.00 0.00 C ATOM 489 CD1 TYR A 951 -3.060 19.917 1.427 1.00 0.00 C ATOM 490 CD2 TYR A 951 -1.133 19.757 0.039 1.00 0.00 C ATOM 491 CE1 TYR A 951 -3.724 20.591 0.421 1.00 0.00 C ATOM 492 CE2 TYR A 951 -1.782 20.428 -0.964 1.00 0.00 C ATOM 493 CZ TYR A 951 -3.080 20.846 -0.773 1.00 0.00 C ATOM 494 OH TYR A 951 -3.736 21.520 -1.778 1.00 0.00 O ATOM 0 H TYR A 951 -2.341 19.274 4.357 1.00 0.00 H new ATOM 0 HA TYR A 951 -2.529 17.297 2.418 1.00 0.00 H new ATOM 0 HB2 TYR A 951 -0.624 19.504 3.048 1.00 0.00 H new ATOM 0 HB3 TYR A 951 -0.114 18.296 1.885 1.00 0.00 H new ATOM 0 HD1 TYR A 951 -3.564 19.722 2.362 1.00 0.00 H new ATOM 0 HD2 TYR A 951 -0.116 19.430 -0.117 1.00 0.00 H new ATOM 0 HE1 TYR A 951 -4.743 20.917 0.568 1.00 0.00 H new ATOM 0 HE2 TYR A 951 -1.279 20.628 -1.898 1.00 0.00 H new ATOM 0 HH TYR A 951 -3.140 21.617 -2.550 1.00 0.00 H new ATOM 504 N VAL A 952 -0.077 16.892 4.603 1.00 0.00 N ATOM 505 CA VAL A 952 0.809 15.862 5.147 1.00 0.00 C ATOM 506 C VAL A 952 0.025 14.726 5.861 1.00 0.00 C ATOM 507 O VAL A 952 0.241 13.559 5.539 1.00 0.00 O ATOM 508 CB VAL A 952 1.974 16.436 6.017 1.00 0.00 C ATOM 509 CG1 VAL A 952 1.603 17.748 6.694 1.00 0.00 C ATOM 510 CG2 VAL A 952 2.444 15.418 7.046 1.00 0.00 C ATOM 0 H VAL A 952 -0.046 17.794 5.078 1.00 0.00 H new ATOM 0 HA VAL A 952 1.297 15.407 4.285 1.00 0.00 H new ATOM 0 HB VAL A 952 2.797 16.647 5.334 1.00 0.00 H new ATOM 0 HG11 VAL A 952 2.447 18.103 7.286 1.00 0.00 H new ATOM 0 HG12 VAL A 952 1.353 18.490 5.936 1.00 0.00 H new ATOM 0 HG13 VAL A 952 0.743 17.591 7.346 1.00 0.00 H new ATOM 0 HG21 VAL A 952 3.255 15.845 7.636 1.00 0.00 H new ATOM 0 HG22 VAL A 952 1.615 15.156 7.704 1.00 0.00 H new ATOM 0 HG23 VAL A 952 2.799 14.523 6.536 1.00 0.00 H new ATOM 520 N PRO A 953 -0.894 15.018 6.820 1.00 0.00 N ATOM 521 CA PRO A 953 -1.759 13.990 7.438 1.00 0.00 C ATOM 522 C PRO A 953 -2.546 13.125 6.453 1.00 0.00 C ATOM 523 O PRO A 953 -2.825 11.971 6.752 1.00 0.00 O ATOM 524 CB PRO A 953 -2.737 14.799 8.264 1.00 0.00 C ATOM 525 CG PRO A 953 -1.964 15.998 8.643 1.00 0.00 C ATOM 526 CD PRO A 953 -1.110 16.311 7.447 1.00 0.00 C ATOM 0 HA PRO A 953 -1.143 13.280 7.991 1.00 0.00 H new ATOM 0 HB2 PRO A 953 -3.626 15.060 7.690 1.00 0.00 H new ATOM 0 HB3 PRO A 953 -3.075 14.246 9.141 1.00 0.00 H new ATOM 0 HG2 PRO A 953 -2.624 16.831 8.885 1.00 0.00 H new ATOM 0 HG3 PRO A 953 -1.352 15.809 9.525 1.00 0.00 H new ATOM 0 HD2 PRO A 953 -1.610 17.004 6.770 1.00 0.00 H new ATOM 0 HD3 PRO A 953 -0.168 16.775 7.740 1.00 0.00 H new ATOM 534 N MET A 954 -2.942 13.663 5.304 1.00 0.00 N ATOM 535 CA MET A 954 -3.662 12.845 4.332 1.00 0.00 C ATOM 536 C MET A 954 -2.738 11.743 3.829 1.00 0.00 C ATOM 537 O MET A 954 -3.148 10.599 3.627 1.00 0.00 O ATOM 538 CB MET A 954 -4.207 13.682 3.161 1.00 0.00 C ATOM 539 CG MET A 954 -3.152 14.165 2.184 1.00 0.00 C ATOM 540 SD MET A 954 -3.830 15.159 0.843 1.00 0.00 S ATOM 541 CE MET A 954 -4.550 16.504 1.774 1.00 0.00 C ATOM 0 H MET A 954 -2.784 14.632 5.027 1.00 0.00 H new ATOM 0 HA MET A 954 -4.527 12.403 4.826 1.00 0.00 H new ATOM 0 HB2 MET A 954 -4.941 13.087 2.618 1.00 0.00 H new ATOM 0 HB3 MET A 954 -4.733 14.547 3.564 1.00 0.00 H new ATOM 0 HG2 MET A 954 -2.408 14.752 2.723 1.00 0.00 H new ATOM 0 HG3 MET A 954 -2.634 13.303 1.763 1.00 0.00 H new ATOM 0 HE1 MET A 954 -4.497 17.422 1.188 1.00 0.00 H new ATOM 0 HE2 MET A 954 -5.592 16.275 1.997 1.00 0.00 H new ATOM 0 HE3 MET A 954 -4.001 16.637 2.706 1.00 0.00 H new ATOM 551 N VAL A 955 -1.484 12.103 3.619 1.00 0.00 N ATOM 552 CA VAL A 955 -0.454 11.118 3.351 1.00 0.00 C ATOM 553 C VAL A 955 -0.200 10.246 4.580 1.00 0.00 C ATOM 554 O VAL A 955 0.188 9.089 4.465 1.00 0.00 O ATOM 555 CB VAL A 955 0.856 11.763 2.868 1.00 0.00 C ATOM 556 CG1 VAL A 955 1.897 10.694 2.610 1.00 0.00 C ATOM 557 CG2 VAL A 955 0.596 12.567 1.607 1.00 0.00 C ATOM 0 H VAL A 955 -1.156 13.069 3.629 1.00 0.00 H new ATOM 0 HA VAL A 955 -0.822 10.486 2.543 1.00 0.00 H new ATOM 0 HB VAL A 955 1.233 12.433 3.641 1.00 0.00 H new ATOM 0 HG11 VAL A 955 2.821 11.161 2.268 1.00 0.00 H new ATOM 0 HG12 VAL A 955 2.088 10.142 3.531 1.00 0.00 H new ATOM 0 HG13 VAL A 955 1.533 10.008 1.845 1.00 0.00 H new ATOM 0 HG21 VAL A 955 1.526 13.023 1.268 1.00 0.00 H new ATOM 0 HG22 VAL A 955 0.209 11.909 0.829 1.00 0.00 H new ATOM 0 HG23 VAL A 955 -0.135 13.348 1.818 1.00 0.00 H new ATOM 567 N LYS A 956 -0.439 10.790 5.759 1.00 0.00 N ATOM 568 CA LYS A 956 -0.298 10.005 6.978 1.00 0.00 C ATOM 569 C LYS A 956 -1.346 8.891 6.981 1.00 0.00 C ATOM 570 O LYS A 956 -1.114 7.797 7.502 1.00 0.00 O ATOM 571 CB LYS A 956 -0.464 10.896 8.206 1.00 0.00 C ATOM 572 CG LYS A 956 -0.162 10.205 9.523 1.00 0.00 C ATOM 573 CD LYS A 956 1.311 9.851 9.649 1.00 0.00 C ATOM 574 CE LYS A 956 1.608 9.162 10.972 1.00 0.00 C ATOM 575 NZ LYS A 956 1.129 9.960 12.133 1.00 0.00 N ATOM 0 H LYS A 956 -0.728 11.758 5.901 1.00 0.00 H new ATOM 0 HA LYS A 956 0.698 9.564 7.012 1.00 0.00 H new ATOM 0 HB2 LYS A 956 0.191 11.761 8.104 1.00 0.00 H new ATOM 0 HB3 LYS A 956 -1.487 11.272 8.232 1.00 0.00 H new ATOM 0 HG2 LYS A 956 -0.452 10.854 10.349 1.00 0.00 H new ATOM 0 HG3 LYS A 956 -0.762 9.299 9.604 1.00 0.00 H new ATOM 0 HD2 LYS A 956 1.601 9.199 8.825 1.00 0.00 H new ATOM 0 HD3 LYS A 956 1.912 10.756 9.566 1.00 0.00 H new ATOM 0 HE2 LYS A 956 1.133 8.181 10.985 1.00 0.00 H new ATOM 0 HE3 LYS A 956 2.682 8.998 11.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 956 1.576 9.609 13.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 956 1.379 10.960 11.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 956 0.096 9.870 12.214 1.00 0.00 H new ATOM 589 N GLU A 957 -2.505 9.206 6.408 1.00 0.00 N ATOM 590 CA GLU A 957 -3.571 8.230 6.221 1.00 0.00 C ATOM 591 C GLU A 957 -3.072 7.018 5.425 1.00 0.00 C ATOM 592 O GLU A 957 -3.297 5.879 5.834 1.00 0.00 O ATOM 593 CB GLU A 957 -4.773 8.880 5.518 1.00 0.00 C ATOM 594 CG GLU A 957 -5.257 10.161 6.184 1.00 0.00 C ATOM 595 CD GLU A 957 -5.809 9.949 7.581 1.00 0.00 C ATOM 596 OE1 GLU A 957 -5.033 9.590 8.491 1.00 0.00 O ATOM 597 OE2 GLU A 957 -7.021 10.178 7.781 1.00 0.00 O ATOM 0 H GLU A 957 -2.729 10.139 6.063 1.00 0.00 H new ATOM 0 HA GLU A 957 -3.889 7.880 7.203 1.00 0.00 H new ATOM 0 HB2 GLU A 957 -4.503 9.099 4.485 1.00 0.00 H new ATOM 0 HB3 GLU A 957 -5.595 8.165 5.488 1.00 0.00 H new ATOM 0 HG2 GLU A 957 -4.430 10.870 6.233 1.00 0.00 H new ATOM 0 HG3 GLU A 957 -6.029 10.614 5.562 1.00 0.00 H new ATOM 604 N VAL A 958 -2.370 7.250 4.308 1.00 0.00 N ATOM 605 CA VAL A 958 -1.756 6.142 3.572 1.00 0.00 C ATOM 606 C VAL A 958 -0.574 5.542 4.345 1.00 0.00 C ATOM 607 O VAL A 958 -0.242 4.373 4.169 1.00 0.00 O ATOM 608 CB VAL A 958 -1.291 6.553 2.150 1.00 0.00 C ATOM 609 CG1 VAL A 958 -2.364 7.371 1.458 1.00 0.00 C ATOM 610 CG2 VAL A 958 0.024 7.314 2.179 1.00 0.00 C ATOM 0 H VAL A 958 -2.216 8.173 3.903 1.00 0.00 H new ATOM 0 HA VAL A 958 -2.535 5.387 3.465 1.00 0.00 H new ATOM 0 HB VAL A 958 -1.123 5.637 1.584 1.00 0.00 H new ATOM 0 HG11 VAL A 958 -2.022 7.651 0.462 1.00 0.00 H new ATOM 0 HG12 VAL A 958 -3.276 6.780 1.376 1.00 0.00 H new ATOM 0 HG13 VAL A 958 -2.566 8.271 2.039 1.00 0.00 H new ATOM 0 HG21 VAL A 958 0.312 7.582 1.162 1.00 0.00 H new ATOM 0 HG22 VAL A 958 -0.093 8.220 2.774 1.00 0.00 H new ATOM 0 HG23 VAL A 958 0.798 6.687 2.622 1.00 0.00 H new ATOM 620 N GLY A 959 0.051 6.327 5.215 1.00 0.00 N ATOM 621 CA GLY A 959 1.180 5.817 5.975 1.00 0.00 C ATOM 622 C GLY A 959 0.758 4.772 6.992 1.00 0.00 C ATOM 623 O GLY A 959 1.379 3.711 7.108 1.00 0.00 O ATOM 0 H GLY A 959 -0.199 7.297 5.407 1.00 0.00 H new ATOM 0 HA2 GLY A 959 1.910 5.383 5.292 1.00 0.00 H new ATOM 0 HA3 GLY A 959 1.674 6.642 6.488 1.00 0.00 H new ATOM 627 N LEU A 960 -0.309 5.076 7.717 1.00 0.00 N ATOM 628 CA LEU A 960 -0.943 4.112 8.611 1.00 0.00 C ATOM 629 C LEU A 960 -1.471 2.928 7.808 1.00 0.00 C ATOM 630 O LEU A 960 -1.513 1.800 8.297 1.00 0.00 O ATOM 631 CB LEU A 960 -2.066 4.812 9.400 1.00 0.00 C ATOM 632 CG LEU A 960 -2.580 4.096 10.661 1.00 0.00 C ATOM 633 CD1 LEU A 960 -3.576 3.004 10.309 1.00 0.00 C ATOM 634 CD2 LEU A 960 -1.417 3.523 11.457 1.00 0.00 C ATOM 0 H LEU A 960 -0.759 5.991 7.704 1.00 0.00 H new ATOM 0 HA LEU A 960 -0.214 3.727 9.324 1.00 0.00 H new ATOM 0 HB2 LEU A 960 -1.711 5.800 9.692 1.00 0.00 H new ATOM 0 HB3 LEU A 960 -2.910 4.963 8.727 1.00 0.00 H new ATOM 0 HG LEU A 960 -3.097 4.831 11.277 1.00 0.00 H new ATOM 0 HD11 LEU A 960 -3.920 2.517 11.222 1.00 0.00 H new ATOM 0 HD12 LEU A 960 -4.427 3.442 9.788 1.00 0.00 H new ATOM 0 HD13 LEU A 960 -3.096 2.268 9.664 1.00 0.00 H new ATOM 0 HD21 LEU A 960 -1.797 3.020 12.346 1.00 0.00 H new ATOM 0 HD22 LEU A 960 -0.871 2.808 10.841 1.00 0.00 H new ATOM 0 HD23 LEU A 960 -0.748 4.330 11.755 1.00 0.00 H new ATOM 646 N ALA A 961 -1.854 3.198 6.570 1.00 0.00 N ATOM 647 CA ALA A 961 -2.308 2.147 5.674 1.00 0.00 C ATOM 648 C ALA A 961 -1.239 1.065 5.509 1.00 0.00 C ATOM 649 O ALA A 961 -1.500 -0.097 5.811 1.00 0.00 O ATOM 650 CB ALA A 961 -2.710 2.716 4.330 1.00 0.00 C ATOM 0 H ALA A 961 -1.860 4.134 6.164 1.00 0.00 H new ATOM 0 HA ALA A 961 -3.188 1.685 6.122 1.00 0.00 H new ATOM 0 HB1 ALA A 961 -3.046 1.909 3.679 1.00 0.00 H new ATOM 0 HB2 ALA A 961 -3.520 3.433 4.466 1.00 0.00 H new ATOM 0 HB3 ALA A 961 -1.855 3.216 3.876 1.00 0.00 H new ATOM 656 N LEU A 962 -0.028 1.433 5.068 1.00 0.00 N ATOM 657 CA LEU A 962 1.045 0.444 4.946 1.00 0.00 C ATOM 658 C LEU A 962 1.377 -0.198 6.299 1.00 0.00 C ATOM 659 O LEU A 962 1.633 -1.392 6.357 1.00 0.00 O ATOM 660 CB LEU A 962 2.293 1.064 4.305 1.00 0.00 C ATOM 661 CG LEU A 962 3.474 0.119 4.016 1.00 0.00 C ATOM 662 CD1 LEU A 962 4.349 -0.075 5.247 1.00 0.00 C ATOM 663 CD2 LEU A 962 2.971 -1.221 3.507 1.00 0.00 C ATOM 0 H LEU A 962 0.227 2.383 4.797 1.00 0.00 H new ATOM 0 HA LEU A 962 0.688 -0.349 4.289 1.00 0.00 H new ATOM 0 HB2 LEU A 962 1.995 1.531 3.366 1.00 0.00 H new ATOM 0 HB3 LEU A 962 2.649 1.861 4.958 1.00 0.00 H new ATOM 0 HG LEU A 962 4.086 0.582 3.242 1.00 0.00 H new ATOM 0 HD11 LEU A 962 5.172 -0.748 5.006 1.00 0.00 H new ATOM 0 HD12 LEU A 962 4.748 0.888 5.565 1.00 0.00 H new ATOM 0 HD13 LEU A 962 3.754 -0.505 6.053 1.00 0.00 H new ATOM 0 HD21 LEU A 962 3.819 -1.876 3.308 1.00 0.00 H new ATOM 0 HD22 LEU A 962 2.328 -1.678 4.259 1.00 0.00 H new ATOM 0 HD23 LEU A 962 2.404 -1.072 2.588 1.00 0.00 H new ATOM 675 N ARG A 963 1.406 0.584 7.379 1.00 0.00 N ATOM 676 CA ARG A 963 1.591 0.013 8.723 1.00 0.00 C ATOM 677 C ARG A 963 0.612 -1.142 8.966 1.00 0.00 C ATOM 678 O ARG A 963 1.007 -2.267 9.294 1.00 0.00 O ATOM 679 CB ARG A 963 1.379 1.087 9.797 1.00 0.00 C ATOM 680 CG ARG A 963 2.391 2.226 9.774 1.00 0.00 C ATOM 681 CD ARG A 963 3.777 1.774 10.208 1.00 0.00 C ATOM 682 NE ARG A 963 4.539 1.160 9.120 1.00 0.00 N ATOM 683 CZ ARG A 963 5.617 0.398 9.310 1.00 0.00 C ATOM 684 NH1 ARG A 963 6.024 0.113 10.540 1.00 0.00 N ATOM 685 NH2 ARG A 963 6.294 -0.070 8.269 1.00 0.00 N ATOM 0 H ARG A 963 1.306 1.599 7.357 1.00 0.00 H new ATOM 0 HA ARG A 963 2.611 -0.366 8.784 1.00 0.00 H new ATOM 0 HB2 ARG A 963 0.380 1.506 9.679 1.00 0.00 H new ATOM 0 HB3 ARG A 963 1.411 0.611 10.777 1.00 0.00 H new ATOM 0 HG2 ARG A 963 2.445 2.641 8.768 1.00 0.00 H new ATOM 0 HG3 ARG A 963 2.050 3.026 10.431 1.00 0.00 H new ATOM 0 HD2 ARG A 963 4.329 2.631 10.594 1.00 0.00 H new ATOM 0 HD3 ARG A 963 3.682 1.061 11.027 1.00 0.00 H new ATOM 0 HE ARG A 963 4.228 1.324 8.162 1.00 0.00 H new ATOM 0 HH11 ARG A 963 5.512 0.477 11.344 1.00 0.00 H new ATOM 0 HH12 ARG A 963 6.849 -0.470 10.682 1.00 0.00 H new ATOM 0 HH21 ARG A 963 5.990 0.153 7.321 1.00 0.00 H new ATOM 0 HH22 ARG A 963 7.118 -0.653 8.417 1.00 0.00 H new ATOM 699 N THR A 964 -0.667 -0.845 8.819 1.00 0.00 N ATOM 700 CA THR A 964 -1.712 -1.863 8.911 1.00 0.00 C ATOM 701 C THR A 964 -1.429 -3.041 7.959 1.00 0.00 C ATOM 702 O THR A 964 -1.583 -4.213 8.328 1.00 0.00 O ATOM 703 CB THR A 964 -3.093 -1.250 8.604 1.00 0.00 C ATOM 704 OG1 THR A 964 -3.226 -0.003 9.299 1.00 0.00 O ATOM 705 CG2 THR A 964 -4.213 -2.182 9.039 1.00 0.00 C ATOM 0 H THR A 964 -1.014 0.096 8.634 1.00 0.00 H new ATOM 0 HA THR A 964 -1.715 -2.245 9.932 1.00 0.00 H new ATOM 0 HB THR A 964 -3.167 -1.094 7.528 1.00 0.00 H new ATOM 0 HG1 THR A 964 -2.868 0.721 8.744 1.00 0.00 H new ATOM 0 HG21 THR A 964 -5.176 -1.725 8.811 1.00 0.00 H new ATOM 0 HG22 THR A 964 -4.126 -3.129 8.507 1.00 0.00 H new ATOM 0 HG23 THR A 964 -4.141 -2.361 10.112 1.00 0.00 H new ATOM 713 N LEU A 965 -0.959 -2.721 6.758 1.00 0.00 N ATOM 714 CA LEU A 965 -0.639 -3.739 5.759 1.00 0.00 C ATOM 715 C LEU A 965 0.565 -4.570 6.175 1.00 0.00 C ATOM 716 O LEU A 965 0.708 -5.711 5.751 1.00 0.00 O ATOM 717 CB LEU A 965 -0.376 -3.121 4.391 1.00 0.00 C ATOM 718 CG LEU A 965 -1.567 -3.125 3.439 1.00 0.00 C ATOM 719 CD1 LEU A 965 -2.646 -2.171 3.915 1.00 0.00 C ATOM 720 CD2 LEU A 965 -1.107 -2.780 2.035 1.00 0.00 C ATOM 0 H LEU A 965 -0.790 -1.763 6.451 1.00 0.00 H new ATOM 0 HA LEU A 965 -1.511 -4.389 5.690 1.00 0.00 H new ATOM 0 HB2 LEU A 965 -0.047 -2.091 4.532 1.00 0.00 H new ATOM 0 HB3 LEU A 965 0.448 -3.657 3.920 1.00 0.00 H new ATOM 0 HG LEU A 965 -2.001 -4.125 3.424 1.00 0.00 H new ATOM 0 HD11 LEU A 965 -3.484 -2.193 3.218 1.00 0.00 H new ATOM 0 HD12 LEU A 965 -2.989 -2.474 4.905 1.00 0.00 H new ATOM 0 HD13 LEU A 965 -2.242 -1.160 3.965 1.00 0.00 H new ATOM 0 HD21 LEU A 965 -1.963 -2.785 1.360 1.00 0.00 H new ATOM 0 HD22 LEU A 965 -0.650 -1.790 2.035 1.00 0.00 H new ATOM 0 HD23 LEU A 965 -0.377 -3.517 1.700 1.00 0.00 H new ATOM 732 N LEU A 966 1.442 -3.980 6.973 1.00 0.00 N ATOM 733 CA LEU A 966 2.592 -4.703 7.513 1.00 0.00 C ATOM 734 C LEU A 966 2.105 -5.928 8.284 1.00 0.00 C ATOM 735 O LEU A 966 2.734 -6.987 8.249 1.00 0.00 O ATOM 736 CB LEU A 966 3.451 -3.790 8.403 1.00 0.00 C ATOM 737 CG LEU A 966 4.794 -4.377 8.870 1.00 0.00 C ATOM 738 CD1 LEU A 966 5.784 -3.263 9.159 1.00 0.00 C ATOM 739 CD2 LEU A 966 4.615 -5.236 10.117 1.00 0.00 C ATOM 0 H LEU A 966 1.383 -3.004 7.263 1.00 0.00 H new ATOM 0 HA LEU A 966 3.223 -5.034 6.688 1.00 0.00 H new ATOM 0 HB2 LEU A 966 3.650 -2.867 7.858 1.00 0.00 H new ATOM 0 HB3 LEU A 966 2.868 -3.521 9.284 1.00 0.00 H new ATOM 0 HG LEU A 966 5.179 -5.006 8.067 1.00 0.00 H new ATOM 0 HD11 LEU A 966 6.730 -3.693 9.489 1.00 0.00 H new ATOM 0 HD12 LEU A 966 5.947 -2.678 8.254 1.00 0.00 H new ATOM 0 HD13 LEU A 966 5.387 -2.617 9.942 1.00 0.00 H new ATOM 0 HD21 LEU A 966 5.581 -5.637 10.424 1.00 0.00 H new ATOM 0 HD22 LEU A 966 4.203 -4.628 10.922 1.00 0.00 H new ATOM 0 HD23 LEU A 966 3.933 -6.058 9.898 1.00 0.00 H new ATOM 751 N ALA A 967 0.971 -5.780 8.962 1.00 0.00 N ATOM 752 CA ALA A 967 0.332 -6.914 9.626 1.00 0.00 C ATOM 753 C ALA A 967 -0.089 -7.963 8.596 1.00 0.00 C ATOM 754 O ALA A 967 0.066 -9.163 8.815 1.00 0.00 O ATOM 755 CB ALA A 967 -0.862 -6.460 10.449 1.00 0.00 C ATOM 0 H ALA A 967 0.478 -4.893 9.067 1.00 0.00 H new ATOM 0 HA ALA A 967 1.055 -7.365 10.306 1.00 0.00 H new ATOM 0 HB1 ALA A 967 -1.320 -7.323 10.933 1.00 0.00 H new ATOM 0 HB2 ALA A 967 -0.532 -5.751 11.208 1.00 0.00 H new ATOM 0 HB3 ALA A 967 -1.592 -5.980 9.797 1.00 0.00 H new ATOM 761 N THR A 968 -0.609 -7.497 7.466 1.00 0.00 N ATOM 762 CA THR A 968 -0.923 -8.379 6.341 1.00 0.00 C ATOM 763 C THR A 968 0.347 -9.056 5.808 1.00 0.00 C ATOM 764 O THR A 968 0.342 -10.246 5.478 1.00 0.00 O ATOM 765 CB THR A 968 -1.632 -7.599 5.210 1.00 0.00 C ATOM 766 OG1 THR A 968 -3.005 -7.386 5.557 1.00 0.00 O ATOM 767 CG2 THR A 968 -1.546 -8.329 3.879 1.00 0.00 C ATOM 0 H THR A 968 -0.823 -6.513 7.302 1.00 0.00 H new ATOM 0 HA THR A 968 -1.601 -9.153 6.701 1.00 0.00 H new ATOM 0 HB THR A 968 -1.124 -6.641 5.097 1.00 0.00 H new ATOM 0 HG1 THR A 968 -3.575 -7.964 5.008 1.00 0.00 H new ATOM 0 HG21 THR A 968 -2.056 -7.747 3.111 1.00 0.00 H new ATOM 0 HG22 THR A 968 -0.500 -8.457 3.601 1.00 0.00 H new ATOM 0 HG23 THR A 968 -2.020 -9.306 3.969 1.00 0.00 H new ATOM 775 N VAL A 969 1.424 -8.283 5.724 1.00 0.00 N ATOM 776 CA VAL A 969 2.734 -8.810 5.348 1.00 0.00 C ATOM 777 C VAL A 969 3.142 -9.967 6.265 1.00 0.00 C ATOM 778 O VAL A 969 3.809 -10.899 5.830 1.00 0.00 O ATOM 779 CB VAL A 969 3.822 -7.709 5.381 1.00 0.00 C ATOM 780 CG1 VAL A 969 5.193 -8.276 5.042 1.00 0.00 C ATOM 781 CG2 VAL A 969 3.466 -6.581 4.425 1.00 0.00 C ATOM 0 H VAL A 969 1.416 -7.281 5.913 1.00 0.00 H new ATOM 0 HA VAL A 969 2.649 -9.179 4.326 1.00 0.00 H new ATOM 0 HB VAL A 969 3.864 -7.312 6.395 1.00 0.00 H new ATOM 0 HG11 VAL A 969 5.935 -7.478 5.074 1.00 0.00 H new ATOM 0 HG12 VAL A 969 5.457 -9.046 5.766 1.00 0.00 H new ATOM 0 HG13 VAL A 969 5.170 -8.710 4.043 1.00 0.00 H new ATOM 0 HG21 VAL A 969 4.241 -5.816 4.461 1.00 0.00 H new ATOM 0 HG22 VAL A 969 3.390 -6.974 3.411 1.00 0.00 H new ATOM 0 HG23 VAL A 969 2.511 -6.144 4.717 1.00 0.00 H new ATOM 791 N ASP A 970 2.712 -9.916 7.522 1.00 0.00 N ATOM 792 CA ASP A 970 3.010 -10.978 8.488 1.00 0.00 C ATOM 793 C ASP A 970 2.147 -12.204 8.238 1.00 0.00 C ATOM 794 O ASP A 970 2.592 -13.322 8.443 1.00 0.00 O ATOM 795 CB ASP A 970 2.818 -10.466 9.921 1.00 0.00 C ATOM 796 CG ASP A 970 3.115 -11.513 10.979 1.00 0.00 C ATOM 797 OD1 ASP A 970 4.276 -11.593 11.434 1.00 0.00 O ATOM 798 OD2 ASP A 970 2.181 -12.235 11.390 1.00 0.00 O ATOM 0 H ASP A 970 2.154 -9.150 7.900 1.00 0.00 H new ATOM 0 HA ASP A 970 4.052 -11.270 8.359 1.00 0.00 H new ATOM 0 HB2 ASP A 970 3.466 -9.604 10.081 1.00 0.00 H new ATOM 0 HB3 ASP A 970 1.791 -10.120 10.041 1.00 0.00 H new ATOM 803 N GLU A 971 0.921 -11.991 7.796 1.00 0.00 N ATOM 804 CA GLU A 971 0.069 -13.100 7.372 1.00 0.00 C ATOM 805 C GLU A 971 0.758 -13.838 6.218 1.00 0.00 C ATOM 806 O GLU A 971 0.991 -15.057 6.250 1.00 0.00 O ATOM 807 CB GLU A 971 -1.294 -12.577 6.908 1.00 0.00 C ATOM 808 CG GLU A 971 -1.962 -11.648 7.907 1.00 0.00 C ATOM 809 CD GLU A 971 -2.438 -12.366 9.153 1.00 0.00 C ATOM 810 OE1 GLU A 971 -3.095 -13.419 9.021 1.00 0.00 O ATOM 811 OE2 GLU A 971 -2.176 -11.868 10.270 1.00 0.00 O ATOM 0 H GLU A 971 0.490 -11.070 7.719 1.00 0.00 H new ATOM 0 HA GLU A 971 -0.087 -13.778 8.211 1.00 0.00 H new ATOM 0 HB2 GLU A 971 -1.169 -12.050 5.962 1.00 0.00 H new ATOM 0 HB3 GLU A 971 -1.952 -13.424 6.716 1.00 0.00 H new ATOM 0 HG2 GLU A 971 -1.261 -10.864 8.191 1.00 0.00 H new ATOM 0 HG3 GLU A 971 -2.811 -11.159 7.429 1.00 0.00 H new ATOM 818 N SER A 972 1.117 -13.063 5.217 1.00 0.00 N ATOM 819 CA SER A 972 1.813 -13.569 4.056 1.00 0.00 C ATOM 820 C SER A 972 3.226 -14.037 4.402 1.00 0.00 C ATOM 821 O SER A 972 3.824 -14.776 3.638 1.00 0.00 O ATOM 822 CB SER A 972 1.838 -12.528 2.944 1.00 0.00 C ATOM 823 OG SER A 972 2.574 -12.993 1.830 1.00 0.00 O ATOM 0 H SER A 972 0.933 -12.060 5.187 1.00 0.00 H new ATOM 0 HA SER A 972 1.263 -14.439 3.697 1.00 0.00 H new ATOM 0 HB2 SER A 972 0.819 -12.293 2.638 1.00 0.00 H new ATOM 0 HB3 SER A 972 2.280 -11.604 3.316 1.00 0.00 H new ATOM 0 HG SER A 972 3.116 -13.766 2.095 1.00 0.00 H new ATOM 829 N LEU A 973 3.788 -13.538 5.497 1.00 0.00 N ATOM 830 CA LEU A 973 5.142 -13.918 5.909 1.00 0.00 C ATOM 831 C LEU A 973 5.311 -15.442 6.008 1.00 0.00 C ATOM 832 O LEU A 973 6.190 -15.977 5.348 1.00 0.00 O ATOM 833 CB LEU A 973 5.501 -13.244 7.242 1.00 0.00 C ATOM 834 CG LEU A 973 6.893 -13.553 7.797 1.00 0.00 C ATOM 835 CD1 LEU A 973 7.969 -12.845 6.991 1.00 0.00 C ATOM 836 CD2 LEU A 973 6.978 -13.156 9.261 1.00 0.00 C ATOM 0 H LEU A 973 3.331 -12.870 6.118 1.00 0.00 H new ATOM 0 HA LEU A 973 5.829 -13.570 5.138 1.00 0.00 H new ATOM 0 HB2 LEU A 973 5.413 -12.165 7.116 1.00 0.00 H new ATOM 0 HB3 LEU A 973 4.761 -13.539 7.986 1.00 0.00 H new ATOM 0 HG LEU A 973 7.061 -14.627 7.716 1.00 0.00 H new ATOM 0 HD11 LEU A 973 8.949 -13.081 7.406 1.00 0.00 H new ATOM 0 HD12 LEU A 973 7.924 -13.177 5.954 1.00 0.00 H new ATOM 0 HD13 LEU A 973 7.807 -11.768 7.034 1.00 0.00 H new ATOM 0 HD21 LEU A 973 7.974 -13.382 9.642 1.00 0.00 H new ATOM 0 HD22 LEU A 973 6.785 -12.088 9.360 1.00 0.00 H new ATOM 0 HD23 LEU A 973 6.236 -13.713 9.833 1.00 0.00 H new ATOM 848 N PRO A 974 4.491 -16.190 6.791 1.00 0.00 N ATOM 849 CA PRO A 974 4.523 -17.655 6.742 1.00 0.00 C ATOM 850 C PRO A 974 4.100 -18.165 5.371 1.00 0.00 C ATOM 851 O PRO A 974 4.467 -19.269 4.952 1.00 0.00 O ATOM 852 CB PRO A 974 3.520 -18.093 7.813 1.00 0.00 C ATOM 853 CG PRO A 974 3.377 -16.910 8.699 1.00 0.00 C ATOM 854 CD PRO A 974 3.545 -15.721 7.803 1.00 0.00 C ATOM 0 HA PRO A 974 5.523 -18.051 6.918 1.00 0.00 H new ATOM 0 HB2 PRO A 974 2.565 -18.374 7.370 1.00 0.00 H new ATOM 0 HB3 PRO A 974 3.883 -18.960 8.365 1.00 0.00 H new ATOM 0 HG2 PRO A 974 2.402 -16.900 9.187 1.00 0.00 H new ATOM 0 HG3 PRO A 974 4.129 -16.917 9.488 1.00 0.00 H new ATOM 0 HD2 PRO A 974 2.598 -15.417 7.357 1.00 0.00 H new ATOM 0 HD3 PRO A 974 3.933 -14.860 8.347 1.00 0.00 H new ATOM 862 N VAL A 975 3.339 -17.350 4.654 1.00 0.00 N ATOM 863 CA VAL A 975 2.957 -17.715 3.294 1.00 0.00 C ATOM 864 C VAL A 975 4.119 -17.482 2.308 1.00 0.00 C ATOM 865 O VAL A 975 4.060 -17.904 1.150 1.00 0.00 O ATOM 866 CB VAL A 975 1.692 -16.962 2.834 1.00 0.00 C ATOM 867 CG1 VAL A 975 1.150 -17.561 1.552 1.00 0.00 C ATOM 868 CG2 VAL A 975 0.625 -16.999 3.913 1.00 0.00 C ATOM 0 H VAL A 975 2.980 -16.452 4.979 1.00 0.00 H new ATOM 0 HA VAL A 975 2.723 -18.780 3.301 1.00 0.00 H new ATOM 0 HB VAL A 975 1.967 -15.924 2.648 1.00 0.00 H new ATOM 0 HG11 VAL A 975 0.258 -17.016 1.244 1.00 0.00 H new ATOM 0 HG12 VAL A 975 1.906 -17.491 0.770 1.00 0.00 H new ATOM 0 HG13 VAL A 975 0.896 -18.608 1.718 1.00 0.00 H new ATOM 0 HG21 VAL A 975 -0.259 -16.462 3.569 1.00 0.00 H new ATOM 0 HG22 VAL A 975 0.360 -18.034 4.128 1.00 0.00 H new ATOM 0 HG23 VAL A 975 1.007 -16.527 4.818 1.00 0.00 H new ATOM 878 N LEU A 976 5.200 -16.841 2.760 1.00 0.00 N ATOM 879 CA LEU A 976 6.331 -16.600 1.870 1.00 0.00 C ATOM 880 C LEU A 976 7.266 -17.814 1.789 1.00 0.00 C ATOM 881 O LEU A 976 7.740 -18.120 0.694 1.00 0.00 O ATOM 882 CB LEU A 976 7.082 -15.275 2.173 1.00 0.00 C ATOM 883 CG LEU A 976 8.110 -15.240 3.316 1.00 0.00 C ATOM 884 CD1 LEU A 976 9.445 -15.844 2.892 1.00 0.00 C ATOM 885 CD2 LEU A 976 8.315 -13.806 3.777 1.00 0.00 C ATOM 0 H LEU A 976 5.313 -16.489 3.711 1.00 0.00 H new ATOM 0 HA LEU A 976 5.910 -16.464 0.874 1.00 0.00 H new ATOM 0 HB2 LEU A 976 7.596 -14.973 1.260 1.00 0.00 H new ATOM 0 HB3 LEU A 976 6.331 -14.513 2.383 1.00 0.00 H new ATOM 0 HG LEU A 976 7.719 -15.840 4.138 1.00 0.00 H new ATOM 0 HD11 LEU A 976 10.145 -15.801 3.726 1.00 0.00 H new ATOM 0 HD12 LEU A 976 9.297 -16.882 2.596 1.00 0.00 H new ATOM 0 HD13 LEU A 976 9.848 -15.281 2.051 1.00 0.00 H new ATOM 0 HD21 LEU A 976 9.044 -13.785 4.587 1.00 0.00 H new ATOM 0 HD22 LEU A 976 8.680 -13.205 2.944 1.00 0.00 H new ATOM 0 HD23 LEU A 976 7.368 -13.399 4.131 1.00 0.00 H new ATOM 897 N PRO A 977 7.563 -18.542 2.903 1.00 0.00 N ATOM 898 CA PRO A 977 8.235 -19.833 2.790 1.00 0.00 C ATOM 899 C PRO A 977 7.350 -20.820 2.048 1.00 0.00 C ATOM 900 O PRO A 977 7.832 -21.788 1.463 1.00 0.00 O ATOM 901 CB PRO A 977 8.469 -20.282 4.236 1.00 0.00 C ATOM 902 CG PRO A 977 7.530 -19.471 5.050 1.00 0.00 C ATOM 903 CD PRO A 977 7.341 -18.180 4.306 1.00 0.00 C ATOM 0 HA PRO A 977 9.169 -19.772 2.231 1.00 0.00 H new ATOM 0 HB2 PRO A 977 8.274 -21.348 4.354 1.00 0.00 H new ATOM 0 HB3 PRO A 977 9.502 -20.112 4.539 1.00 0.00 H new ATOM 0 HG2 PRO A 977 6.580 -19.989 5.180 1.00 0.00 H new ATOM 0 HG3 PRO A 977 7.933 -19.291 6.046 1.00 0.00 H new ATOM 0 HD2 PRO A 977 6.341 -17.774 4.460 1.00 0.00 H new ATOM 0 HD3 PRO A 977 8.048 -17.421 4.639 1.00 0.00 H new ATOM 911 N ALA A 978 6.045 -20.566 2.080 1.00 0.00 N ATOM 912 CA ALA A 978 5.122 -21.299 1.237 1.00 0.00 C ATOM 913 C ALA A 978 5.401 -20.998 -0.235 1.00 0.00 C ATOM 914 O ALA A 978 5.783 -21.892 -0.983 1.00 0.00 O ATOM 915 CB ALA A 978 3.680 -20.973 1.598 1.00 0.00 C ATOM 0 H ALA A 978 5.611 -19.863 2.678 1.00 0.00 H new ATOM 0 HA ALA A 978 5.271 -22.366 1.405 1.00 0.00 H new ATOM 0 HB1 ALA A 978 3.007 -21.536 0.951 1.00 0.00 H new ATOM 0 HB2 ALA A 978 3.495 -21.244 2.637 1.00 0.00 H new ATOM 0 HB3 ALA A 978 3.504 -19.906 1.464 1.00 0.00 H new ATOM 921 N SER A 979 5.243 -19.733 -0.646 1.00 0.00 N ATOM 922 CA SER A 979 5.460 -19.359 -2.047 1.00 0.00 C ATOM 923 C SER A 979 5.575 -17.832 -2.268 1.00 0.00 C ATOM 924 O SER A 979 6.311 -17.388 -3.151 1.00 0.00 O ATOM 925 CB SER A 979 4.329 -19.928 -2.913 1.00 0.00 C ATOM 926 OG SER A 979 4.501 -21.315 -3.154 1.00 0.00 O ATOM 0 H SER A 979 4.970 -18.962 -0.037 1.00 0.00 H new ATOM 0 HA SER A 979 6.419 -19.786 -2.340 1.00 0.00 H new ATOM 0 HB2 SER A 979 3.372 -19.760 -2.418 1.00 0.00 H new ATOM 0 HB3 SER A 979 4.295 -19.395 -3.863 1.00 0.00 H new ATOM 0 HG SER A 979 5.276 -21.641 -2.650 1.00 0.00 H new ATOM 932 N THR A 980 4.866 -17.043 -1.463 1.00 0.00 N ATOM 933 CA THR A 980 4.757 -15.582 -1.659 1.00 0.00 C ATOM 934 C THR A 980 6.097 -14.839 -1.677 1.00 0.00 C ATOM 935 O THR A 980 6.157 -13.711 -2.163 1.00 0.00 O ATOM 936 CB THR A 980 3.871 -14.947 -0.584 1.00 0.00 C ATOM 937 OG1 THR A 980 2.744 -15.788 -0.341 1.00 0.00 O ATOM 938 CG2 THR A 980 3.394 -13.573 -1.034 1.00 0.00 C ATOM 0 H THR A 980 4.348 -17.389 -0.655 1.00 0.00 H new ATOM 0 HA THR A 980 4.313 -15.475 -2.649 1.00 0.00 H new ATOM 0 HB THR A 980 4.451 -14.835 0.332 1.00 0.00 H new ATOM 0 HG1 THR A 980 2.348 -15.562 0.527 1.00 0.00 H new ATOM 0 HG21 THR A 980 2.765 -13.134 -0.259 1.00 0.00 H new ATOM 0 HG22 THR A 980 4.255 -12.929 -1.210 1.00 0.00 H new ATOM 0 HG23 THR A 980 2.820 -13.671 -1.955 1.00 0.00 H new ATOM 946 N HIS A 981 7.159 -15.459 -1.162 1.00 0.00 N ATOM 947 CA HIS A 981 8.468 -14.799 -1.016 1.00 0.00 C ATOM 948 C HIS A 981 8.930 -14.081 -2.290 1.00 0.00 C ATOM 949 O HIS A 981 9.773 -13.193 -2.221 1.00 0.00 O ATOM 950 CB HIS A 981 9.546 -15.815 -0.597 1.00 0.00 C ATOM 951 CG HIS A 981 9.828 -16.888 -1.615 1.00 0.00 C ATOM 952 ND1 HIS A 981 9.365 -18.182 -1.497 1.00 0.00 N ATOM 953 CD2 HIS A 981 10.540 -16.855 -2.769 1.00 0.00 C ATOM 954 CE1 HIS A 981 9.775 -18.891 -2.530 1.00 0.00 C ATOM 955 NE2 HIS A 981 10.489 -18.109 -3.316 1.00 0.00 N ATOM 0 H HIS A 981 7.143 -16.425 -0.835 1.00 0.00 H new ATOM 0 HA HIS A 981 8.335 -14.045 -0.241 1.00 0.00 H new ATOM 0 HB2 HIS A 981 10.471 -15.278 -0.389 1.00 0.00 H new ATOM 0 HB3 HIS A 981 9.237 -16.289 0.335 1.00 0.00 H new ATOM 0 HD1 HIS A 981 8.794 -18.536 -0.729 1.00 0.00 H new ATOM 0 HD2 HIS A 981 11.052 -15.998 -3.180 1.00 0.00 H new ATOM 0 HE1 HIS A 981 9.562 -19.936 -2.703 1.00 0.00 H new ATOM 964 N ARG A 982 8.386 -14.454 -3.440 1.00 0.00 N ATOM 965 CA ARG A 982 8.749 -13.775 -4.675 1.00 0.00 C ATOM 966 C ARG A 982 8.163 -12.360 -4.701 1.00 0.00 C ATOM 967 O ARG A 982 8.889 -11.371 -4.808 1.00 0.00 O ATOM 968 CB ARG A 982 8.207 -14.555 -5.875 1.00 0.00 C ATOM 969 CG ARG A 982 8.428 -13.856 -7.207 1.00 0.00 C ATOM 970 CD ARG A 982 7.380 -14.269 -8.228 1.00 0.00 C ATOM 971 NE ARG A 982 7.621 -13.671 -9.539 1.00 0.00 N ATOM 972 CZ ARG A 982 6.659 -13.223 -10.345 1.00 0.00 C ATOM 973 NH1 ARG A 982 5.401 -13.139 -9.924 1.00 0.00 N ATOM 974 NH2 ARG A 982 6.960 -12.807 -11.563 1.00 0.00 N ATOM 0 H ARG A 982 7.706 -15.207 -3.544 1.00 0.00 H new ATOM 0 HA ARG A 982 9.836 -13.717 -4.727 1.00 0.00 H new ATOM 0 HB2 ARG A 982 8.683 -15.535 -5.905 1.00 0.00 H new ATOM 0 HB3 ARG A 982 7.139 -14.723 -5.736 1.00 0.00 H new ATOM 0 HG2 ARG A 982 8.393 -12.776 -7.064 1.00 0.00 H new ATOM 0 HG3 ARG A 982 9.422 -14.096 -7.585 1.00 0.00 H new ATOM 0 HD2 ARG A 982 7.374 -15.355 -8.321 1.00 0.00 H new ATOM 0 HD3 ARG A 982 6.393 -13.975 -7.872 1.00 0.00 H new ATOM 0 HE ARG A 982 8.587 -13.591 -9.858 1.00 0.00 H new ATOM 0 HH11 ARG A 982 5.162 -13.419 -8.973 1.00 0.00 H new ATOM 0 HH12 ARG A 982 4.675 -12.794 -10.552 1.00 0.00 H new ATOM 0 HH21 ARG A 982 7.928 -12.829 -11.885 1.00 0.00 H new ATOM 0 HH22 ARG A 982 6.225 -12.464 -12.181 1.00 0.00 H new ATOM 988 N GLU A 983 6.845 -12.267 -4.572 1.00 0.00 N ATOM 989 CA GLU A 983 6.180 -10.976 -4.622 1.00 0.00 C ATOM 990 C GLU A 983 6.194 -10.235 -3.311 1.00 0.00 C ATOM 991 O GLU A 983 6.244 -9.005 -3.294 1.00 0.00 O ATOM 992 CB GLU A 983 4.762 -11.078 -5.137 1.00 0.00 C ATOM 993 CG GLU A 983 4.647 -10.444 -6.504 1.00 0.00 C ATOM 994 CD GLU A 983 3.749 -11.207 -7.454 1.00 0.00 C ATOM 995 OE1 GLU A 983 3.932 -12.440 -7.583 1.00 0.00 O ATOM 996 OE2 GLU A 983 2.899 -10.572 -8.112 1.00 0.00 O ATOM 0 H GLU A 983 6.223 -13.063 -4.433 1.00 0.00 H new ATOM 0 HA GLU A 983 6.771 -10.394 -5.330 1.00 0.00 H new ATOM 0 HB2 GLU A 983 4.462 -12.125 -5.189 1.00 0.00 H new ATOM 0 HB3 GLU A 983 4.081 -10.586 -4.443 1.00 0.00 H new ATOM 0 HG2 GLU A 983 4.265 -9.429 -6.393 1.00 0.00 H new ATOM 0 HG3 GLU A 983 5.642 -10.364 -6.943 1.00 0.00 H new ATOM 1003 N ILE A 984 6.113 -10.962 -2.214 1.00 0.00 N ATOM 1004 CA ILE A 984 6.058 -10.325 -0.916 1.00 0.00 C ATOM 1005 C ILE A 984 7.335 -9.526 -0.688 1.00 0.00 C ATOM 1006 O ILE A 984 7.352 -8.569 0.073 1.00 0.00 O ATOM 1007 CB ILE A 984 5.821 -11.345 0.218 1.00 0.00 C ATOM 1008 CG1 ILE A 984 5.442 -10.636 1.520 1.00 0.00 C ATOM 1009 CG2 ILE A 984 7.054 -12.202 0.437 1.00 0.00 C ATOM 1010 CD1 ILE A 984 4.190 -9.795 1.415 1.00 0.00 C ATOM 0 H ILE A 984 6.084 -11.981 -2.196 1.00 0.00 H new ATOM 0 HA ILE A 984 5.206 -9.645 -0.901 1.00 0.00 H new ATOM 0 HB ILE A 984 4.994 -11.989 -0.082 1.00 0.00 H new ATOM 0 HG12 ILE A 984 5.302 -11.382 2.302 1.00 0.00 H new ATOM 0 HG13 ILE A 984 6.271 -10.000 1.831 1.00 0.00 H new ATOM 0 HG21 ILE A 984 6.864 -12.914 1.241 1.00 0.00 H new ATOM 0 HG22 ILE A 984 7.288 -12.744 -0.480 1.00 0.00 H new ATOM 0 HG23 ILE A 984 7.896 -11.565 0.707 1.00 0.00 H new ATOM 0 HD11 ILE A 984 3.986 -9.324 2.377 1.00 0.00 H new ATOM 0 HD12 ILE A 984 4.332 -9.025 0.657 1.00 0.00 H new ATOM 0 HD13 ILE A 984 3.348 -10.429 1.135 1.00 0.00 H new ATOM 1022 N GLU A 985 8.404 -9.919 -1.370 1.00 0.00 N ATOM 1023 CA GLU A 985 9.598 -9.097 -1.420 1.00 0.00 C ATOM 1024 C GLU A 985 9.398 -7.903 -2.341 1.00 0.00 C ATOM 1025 O GLU A 985 9.666 -6.770 -1.950 1.00 0.00 O ATOM 1026 CB GLU A 985 10.817 -9.892 -1.877 1.00 0.00 C ATOM 1027 CG GLU A 985 11.434 -10.740 -0.785 1.00 0.00 C ATOM 1028 CD GLU A 985 12.888 -11.047 -1.065 1.00 0.00 C ATOM 1029 OE1 GLU A 985 13.741 -10.167 -0.811 1.00 0.00 O ATOM 1030 OE2 GLU A 985 13.190 -12.152 -1.554 1.00 0.00 O ATOM 0 H GLU A 985 8.465 -10.794 -1.890 1.00 0.00 H new ATOM 0 HA GLU A 985 9.779 -8.744 -0.405 1.00 0.00 H new ATOM 0 HB2 GLU A 985 10.529 -10.537 -2.707 1.00 0.00 H new ATOM 0 HB3 GLU A 985 11.569 -9.201 -2.257 1.00 0.00 H new ATOM 0 HG2 GLU A 985 11.350 -10.221 0.170 1.00 0.00 H new ATOM 0 HG3 GLU A 985 10.877 -11.672 -0.691 1.00 0.00 H new ATOM 1037 N MET A 986 8.894 -8.156 -3.552 1.00 0.00 N ATOM 1038 CA MET A 986 8.841 -7.109 -4.575 1.00 0.00 C ATOM 1039 C MET A 986 7.927 -5.960 -4.162 1.00 0.00 C ATOM 1040 O MET A 986 8.288 -4.798 -4.302 1.00 0.00 O ATOM 1041 CB MET A 986 8.448 -7.648 -5.960 1.00 0.00 C ATOM 1042 CG MET A 986 6.970 -7.919 -6.152 1.00 0.00 C ATOM 1043 SD MET A 986 6.535 -8.131 -7.891 1.00 0.00 S ATOM 1044 CE MET A 986 7.617 -9.488 -8.346 1.00 0.00 C ATOM 0 H MET A 986 8.523 -9.060 -3.845 1.00 0.00 H new ATOM 0 HA MET A 986 9.856 -6.722 -4.660 1.00 0.00 H new ATOM 0 HB2 MET A 986 8.771 -6.932 -6.716 1.00 0.00 H new ATOM 0 HB3 MET A 986 8.997 -8.572 -6.142 1.00 0.00 H new ATOM 0 HG2 MET A 986 6.692 -8.816 -5.598 1.00 0.00 H new ATOM 0 HG3 MET A 986 6.394 -7.094 -5.733 1.00 0.00 H new ATOM 0 HE1 MET A 986 7.135 -10.097 -9.110 1.00 0.00 H new ATOM 0 HE2 MET A 986 8.554 -9.091 -8.736 1.00 0.00 H new ATOM 0 HE3 MET A 986 7.820 -10.101 -7.468 1.00 0.00 H new ATOM 1054 N ALA A 987 6.756 -6.283 -3.639 1.00 0.00 N ATOM 1055 CA ALA A 987 5.797 -5.282 -3.243 1.00 0.00 C ATOM 1056 C ALA A 987 6.155 -4.666 -1.910 1.00 0.00 C ATOM 1057 O ALA A 987 6.113 -3.462 -1.770 1.00 0.00 O ATOM 1058 CB ALA A 987 4.411 -5.872 -3.187 1.00 0.00 C ATOM 0 H ALA A 987 6.450 -7.243 -3.480 1.00 0.00 H new ATOM 0 HA ALA A 987 5.817 -4.492 -3.994 1.00 0.00 H new ATOM 0 HB1 ALA A 987 3.700 -5.103 -2.886 1.00 0.00 H new ATOM 0 HB2 ALA A 987 4.138 -6.254 -4.171 1.00 0.00 H new ATOM 0 HB3 ALA A 987 4.391 -6.687 -2.463 1.00 0.00 H new ATOM 1064 N GLN A 988 6.507 -5.487 -0.925 1.00 0.00 N ATOM 1065 CA GLN A 988 6.770 -4.965 0.412 1.00 0.00 C ATOM 1066 C GLN A 988 7.961 -4.007 0.398 1.00 0.00 C ATOM 1067 O GLN A 988 7.908 -2.936 1.010 1.00 0.00 O ATOM 1068 CB GLN A 988 6.980 -6.100 1.423 1.00 0.00 C ATOM 1069 CG GLN A 988 7.195 -5.647 2.865 1.00 0.00 C ATOM 1070 CD GLN A 988 8.625 -5.219 3.149 1.00 0.00 C ATOM 1071 OE1 GLN A 988 9.570 -5.725 2.543 1.00 0.00 O ATOM 1072 NE2 GLN A 988 8.793 -4.284 4.068 1.00 0.00 N ATOM 0 H GLN A 988 6.615 -6.496 -1.023 1.00 0.00 H new ATOM 0 HA GLN A 988 5.892 -4.403 0.730 1.00 0.00 H new ATOM 0 HB2 GLN A 988 6.113 -6.760 1.391 1.00 0.00 H new ATOM 0 HB3 GLN A 988 7.842 -6.690 1.111 1.00 0.00 H new ATOM 0 HG2 GLN A 988 6.524 -4.816 3.082 1.00 0.00 H new ATOM 0 HG3 GLN A 988 6.925 -6.460 3.539 1.00 0.00 H new ATOM 0 HE21 GLN A 988 7.984 -3.889 4.548 1.00 0.00 H new ATOM 0 HE22 GLN A 988 9.732 -3.957 4.297 1.00 0.00 H new ATOM 1081 N LYS A 989 9.029 -4.383 -0.307 1.00 0.00 N ATOM 1082 CA LYS A 989 10.172 -3.489 -0.476 1.00 0.00 C ATOM 1083 C LYS A 989 9.737 -2.235 -1.224 1.00 0.00 C ATOM 1084 O LYS A 989 10.221 -1.135 -0.964 1.00 0.00 O ATOM 1085 CB LYS A 989 11.308 -4.182 -1.236 1.00 0.00 C ATOM 1086 CG LYS A 989 12.104 -5.178 -0.405 1.00 0.00 C ATOM 1087 CD LYS A 989 13.215 -5.814 -1.228 1.00 0.00 C ATOM 1088 CE LYS A 989 14.248 -6.509 -0.354 1.00 0.00 C ATOM 1089 NZ LYS A 989 13.715 -7.721 0.323 1.00 0.00 N ATOM 0 H LYS A 989 9.125 -5.289 -0.765 1.00 0.00 H new ATOM 0 HA LYS A 989 10.542 -3.216 0.512 1.00 0.00 H new ATOM 0 HB2 LYS A 989 10.889 -4.700 -2.099 1.00 0.00 H new ATOM 0 HB3 LYS A 989 11.988 -3.422 -1.620 1.00 0.00 H new ATOM 0 HG2 LYS A 989 12.532 -4.674 0.461 1.00 0.00 H new ATOM 0 HG3 LYS A 989 11.439 -5.954 -0.026 1.00 0.00 H new ATOM 0 HD2 LYS A 989 12.784 -6.535 -1.922 1.00 0.00 H new ATOM 0 HD3 LYS A 989 13.705 -5.048 -1.828 1.00 0.00 H new ATOM 0 HE2 LYS A 989 15.105 -6.789 -0.967 1.00 0.00 H new ATOM 0 HE3 LYS A 989 14.610 -5.808 0.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 989 14.195 -7.848 1.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 989 12.693 -7.609 0.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 989 13.883 -8.555 -0.275 1.00 0.00 H new ATOM 1103 N LEU A 990 8.795 -2.417 -2.134 1.00 0.00 N ATOM 1104 CA LEU A 990 8.256 -1.330 -2.928 1.00 0.00 C ATOM 1105 C LEU A 990 7.374 -0.411 -2.066 1.00 0.00 C ATOM 1106 O LEU A 990 7.442 0.812 -2.191 1.00 0.00 O ATOM 1107 CB LEU A 990 7.508 -1.940 -4.127 1.00 0.00 C ATOM 1108 CG LEU A 990 6.347 -1.145 -4.711 1.00 0.00 C ATOM 1109 CD1 LEU A 990 6.798 0.219 -5.220 1.00 0.00 C ATOM 1110 CD2 LEU A 990 5.688 -1.927 -5.831 1.00 0.00 C ATOM 0 H LEU A 990 8.382 -3.326 -2.342 1.00 0.00 H new ATOM 0 HA LEU A 990 9.054 -0.693 -3.310 1.00 0.00 H new ATOM 0 HB2 LEU A 990 8.232 -2.111 -4.923 1.00 0.00 H new ATOM 0 HB3 LEU A 990 7.129 -2.916 -3.825 1.00 0.00 H new ATOM 0 HG LEU A 990 5.624 -0.980 -3.912 1.00 0.00 H new ATOM 0 HD11 LEU A 990 5.942 0.756 -5.629 1.00 0.00 H new ATOM 0 HD12 LEU A 990 7.226 0.791 -4.397 1.00 0.00 H new ATOM 0 HD13 LEU A 990 7.549 0.087 -5.999 1.00 0.00 H new ATOM 0 HD21 LEU A 990 4.860 -1.349 -6.240 1.00 0.00 H new ATOM 0 HD22 LEU A 990 6.418 -2.122 -6.617 1.00 0.00 H new ATOM 0 HD23 LEU A 990 5.312 -2.873 -5.442 1.00 0.00 H new ATOM 1122 N LEU A 991 6.598 -0.998 -1.153 1.00 0.00 N ATOM 1123 CA LEU A 991 5.752 -0.221 -0.246 1.00 0.00 C ATOM 1124 C LEU A 991 6.620 0.668 0.614 1.00 0.00 C ATOM 1125 O LEU A 991 6.401 1.870 0.718 1.00 0.00 O ATOM 1126 CB LEU A 991 4.953 -1.122 0.692 1.00 0.00 C ATOM 1127 CG LEU A 991 4.181 -2.262 0.046 1.00 0.00 C ATOM 1128 CD1 LEU A 991 4.043 -3.413 1.027 1.00 0.00 C ATOM 1129 CD2 LEU A 991 2.806 -1.793 -0.384 1.00 0.00 C ATOM 0 H LEU A 991 6.538 -2.008 -1.022 1.00 0.00 H new ATOM 0 HA LEU A 991 5.066 0.360 -0.861 1.00 0.00 H new ATOM 0 HB2 LEU A 991 5.640 -1.547 1.424 1.00 0.00 H new ATOM 0 HB3 LEU A 991 4.246 -0.500 1.242 1.00 0.00 H new ATOM 0 HG LEU A 991 4.730 -2.599 -0.834 1.00 0.00 H new ATOM 0 HD11 LEU A 991 3.489 -4.226 0.558 1.00 0.00 H new ATOM 0 HD12 LEU A 991 5.033 -3.767 1.314 1.00 0.00 H new ATOM 0 HD13 LEU A 991 3.508 -3.073 1.914 1.00 0.00 H new ATOM 0 HD21 LEU A 991 2.267 -2.621 -0.844 1.00 0.00 H new ATOM 0 HD22 LEU A 991 2.253 -1.439 0.486 1.00 0.00 H new ATOM 0 HD23 LEU A 991 2.907 -0.981 -1.104 1.00 0.00 H new ATOM 1141 N ASN A 992 7.616 0.051 1.239 1.00 0.00 N ATOM 1142 CA ASN A 992 8.548 0.763 2.091 1.00 0.00 C ATOM 1143 C ASN A 992 9.193 1.903 1.320 1.00 0.00 C ATOM 1144 O ASN A 992 9.263 3.023 1.805 1.00 0.00 O ATOM 1145 CB ASN A 992 9.620 -0.211 2.597 1.00 0.00 C ATOM 1146 CG ASN A 992 10.700 0.448 3.440 1.00 0.00 C ATOM 1147 OD1 ASN A 992 10.451 1.418 4.158 1.00 0.00 O ATOM 1148 ND2 ASN A 992 11.912 -0.083 3.362 1.00 0.00 N ATOM 0 H ASN A 992 7.796 -0.950 1.167 1.00 0.00 H new ATOM 0 HA ASN A 992 8.013 1.182 2.943 1.00 0.00 H new ATOM 0 HB2 ASN A 992 9.139 -0.992 3.186 1.00 0.00 H new ATOM 0 HB3 ASN A 992 10.087 -0.699 1.741 1.00 0.00 H new ATOM 0 HD21 ASN A 992 12.678 0.312 3.908 1.00 0.00 H new ATOM 0 HD22 ASN A 992 12.079 -0.886 2.756 1.00 0.00 H new ATOM 1155 N SER A 993 9.615 1.617 0.100 1.00 0.00 N ATOM 1156 CA SER A 993 10.299 2.602 -0.713 1.00 0.00 C ATOM 1157 C SER A 993 9.398 3.783 -1.067 1.00 0.00 C ATOM 1158 O SER A 993 9.787 4.926 -0.864 1.00 0.00 O ATOM 1159 CB SER A 993 10.833 1.953 -1.991 1.00 0.00 C ATOM 1160 OG SER A 993 11.728 0.897 -1.687 1.00 0.00 O ATOM 0 H SER A 993 9.495 0.709 -0.348 1.00 0.00 H new ATOM 0 HA SER A 993 11.130 2.988 -0.123 1.00 0.00 H new ATOM 0 HB2 SER A 993 10.002 1.571 -2.584 1.00 0.00 H new ATOM 0 HB3 SER A 993 11.341 2.702 -2.599 1.00 0.00 H new ATOM 0 HG SER A 993 11.237 0.165 -1.258 1.00 0.00 H new ATOM 1166 N ASP A 994 8.184 3.517 -1.540 1.00 0.00 N ATOM 1167 CA ASP A 994 7.387 4.577 -2.156 1.00 0.00 C ATOM 1168 C ASP A 994 6.348 5.166 -1.215 1.00 0.00 C ATOM 1169 O ASP A 994 6.153 6.383 -1.200 1.00 0.00 O ATOM 1170 CB ASP A 994 6.745 4.100 -3.455 1.00 0.00 C ATOM 1171 CG ASP A 994 7.702 4.231 -4.621 1.00 0.00 C ATOM 1172 OD1 ASP A 994 7.881 5.363 -5.124 1.00 0.00 O ATOM 1173 OD2 ASP A 994 8.302 3.216 -5.038 1.00 0.00 O ATOM 0 H ASP A 994 7.737 2.600 -1.511 1.00 0.00 H new ATOM 0 HA ASP A 994 8.081 5.384 -2.390 1.00 0.00 H new ATOM 0 HB2 ASP A 994 6.436 3.060 -3.350 1.00 0.00 H new ATOM 0 HB3 ASP A 994 5.845 4.682 -3.653 1.00 0.00 H new ATOM 1178 N LEU A 995 5.692 4.335 -0.418 1.00 0.00 N ATOM 1179 CA LEU A 995 4.765 4.846 0.577 1.00 0.00 C ATOM 1180 C LEU A 995 5.509 5.743 1.561 1.00 0.00 C ATOM 1181 O LEU A 995 5.012 6.802 1.951 1.00 0.00 O ATOM 1182 CB LEU A 995 4.044 3.706 1.311 1.00 0.00 C ATOM 1183 CG LEU A 995 2.974 4.147 2.302 1.00 0.00 C ATOM 1184 CD1 LEU A 995 1.706 3.338 2.097 1.00 0.00 C ATOM 1185 CD2 LEU A 995 3.488 4.009 3.727 1.00 0.00 C ATOM 0 H LEU A 995 5.783 3.319 -0.440 1.00 0.00 H new ATOM 0 HA LEU A 995 4.002 5.434 0.068 1.00 0.00 H new ATOM 0 HB2 LEU A 995 3.583 3.052 0.570 1.00 0.00 H new ATOM 0 HB3 LEU A 995 4.786 3.111 1.843 1.00 0.00 H new ATOM 0 HG LEU A 995 2.738 5.197 2.128 1.00 0.00 H new ATOM 0 HD11 LEU A 995 0.948 3.662 2.811 1.00 0.00 H new ATOM 0 HD12 LEU A 995 1.337 3.490 1.083 1.00 0.00 H new ATOM 0 HD13 LEU A 995 1.920 2.280 2.250 1.00 0.00 H new ATOM 0 HD21 LEU A 995 2.714 4.327 4.425 1.00 0.00 H new ATOM 0 HD22 LEU A 995 3.746 2.968 3.921 1.00 0.00 H new ATOM 0 HD23 LEU A 995 4.372 4.633 3.857 1.00 0.00 H new ATOM 1197 N ALA A 996 6.710 5.319 1.950 1.00 0.00 N ATOM 1198 CA ALA A 996 7.544 6.142 2.812 1.00 0.00 C ATOM 1199 C ALA A 996 7.887 7.458 2.139 1.00 0.00 C ATOM 1200 O ALA A 996 7.850 8.508 2.779 1.00 0.00 O ATOM 1201 CB ALA A 996 8.805 5.416 3.236 1.00 0.00 C ATOM 0 H ALA A 996 7.120 4.423 1.685 1.00 0.00 H new ATOM 0 HA ALA A 996 6.967 6.353 3.712 1.00 0.00 H new ATOM 0 HB1 ALA A 996 9.400 6.065 3.879 1.00 0.00 H new ATOM 0 HB2 ALA A 996 8.538 4.511 3.782 1.00 0.00 H new ATOM 0 HB3 ALA A 996 9.385 5.149 2.353 1.00 0.00 H new ATOM 1207 N GLU A 997 8.220 7.411 0.852 1.00 0.00 N ATOM 1208 CA GLU A 997 8.478 8.632 0.106 1.00 0.00 C ATOM 1209 C GLU A 997 7.341 9.605 0.251 1.00 0.00 C ATOM 1210 O GLU A 997 7.568 10.756 0.573 1.00 0.00 O ATOM 1211 CB GLU A 997 8.680 8.357 -1.371 1.00 0.00 C ATOM 1212 CG GLU A 997 9.981 7.673 -1.676 1.00 0.00 C ATOM 1213 CD GLU A 997 11.173 8.567 -1.436 1.00 0.00 C ATOM 1214 OE1 GLU A 997 11.194 9.692 -1.978 1.00 0.00 O ATOM 1215 OE2 GLU A 997 12.098 8.148 -0.712 1.00 0.00 O ATOM 0 H GLU A 997 8.316 6.551 0.312 1.00 0.00 H new ATOM 0 HA GLU A 997 9.391 9.059 0.522 1.00 0.00 H new ATOM 0 HB2 GLU A 997 7.859 7.739 -1.734 1.00 0.00 H new ATOM 0 HB3 GLU A 997 8.636 9.299 -1.918 1.00 0.00 H new ATOM 0 HG2 GLU A 997 10.071 6.779 -1.059 1.00 0.00 H new ATOM 0 HG3 GLU A 997 9.980 7.345 -2.715 1.00 0.00 H new ATOM 1222 N LEU A 998 6.121 9.129 0.060 1.00 0.00 N ATOM 1223 CA LEU A 998 4.957 10.007 0.075 1.00 0.00 C ATOM 1224 C LEU A 998 4.863 10.724 1.398 1.00 0.00 C ATOM 1225 O LEU A 998 4.520 11.908 1.457 1.00 0.00 O ATOM 1226 CB LEU A 998 3.672 9.225 -0.183 1.00 0.00 C ATOM 1227 CG LEU A 998 3.237 9.175 -1.643 1.00 0.00 C ATOM 1228 CD1 LEU A 998 2.926 10.577 -2.142 1.00 0.00 C ATOM 1229 CD2 LEU A 998 4.317 8.535 -2.491 1.00 0.00 C ATOM 0 H LEU A 998 5.909 8.145 -0.107 1.00 0.00 H new ATOM 0 HA LEU A 998 5.078 10.738 -0.724 1.00 0.00 H new ATOM 0 HB2 LEU A 998 3.806 8.205 0.177 1.00 0.00 H new ATOM 0 HB3 LEU A 998 2.869 9.668 0.406 1.00 0.00 H new ATOM 0 HG LEU A 998 2.334 8.569 -1.722 1.00 0.00 H new ATOM 0 HD11 LEU A 998 2.616 10.531 -3.186 1.00 0.00 H new ATOM 0 HD12 LEU A 998 2.123 11.006 -1.543 1.00 0.00 H new ATOM 0 HD13 LEU A 998 3.816 11.200 -2.055 1.00 0.00 H new ATOM 0 HD21 LEU A 998 3.993 8.506 -3.531 1.00 0.00 H new ATOM 0 HD22 LEU A 998 5.234 9.118 -2.413 1.00 0.00 H new ATOM 0 HD23 LEU A 998 4.502 7.520 -2.140 1.00 0.00 H new ATOM 1241 N ILE A 999 5.213 10.002 2.446 1.00 0.00 N ATOM 1242 CA ILE A 999 5.155 10.540 3.802 1.00 0.00 C ATOM 1243 C ILE A 999 6.022 11.790 3.910 1.00 0.00 C ATOM 1244 O ILE A 999 5.596 12.815 4.437 1.00 0.00 O ATOM 1245 CB ILE A 999 5.610 9.498 4.849 1.00 0.00 C ATOM 1246 CG1 ILE A 999 4.697 8.268 4.809 1.00 0.00 C ATOM 1247 CG2 ILE A 999 5.625 10.109 6.246 1.00 0.00 C ATOM 1248 CD1 ILE A 999 5.125 7.158 5.747 1.00 0.00 C ATOM 0 H ILE A 999 5.542 9.038 2.389 1.00 0.00 H new ATOM 0 HA ILE A 999 4.116 10.797 4.010 1.00 0.00 H new ATOM 0 HB ILE A 999 6.625 9.184 4.604 1.00 0.00 H new ATOM 0 HG12 ILE A 999 3.681 8.573 5.061 1.00 0.00 H new ATOM 0 HG13 ILE A 999 4.670 7.880 3.791 1.00 0.00 H new ATOM 0 HG21 ILE A 999 5.948 9.359 6.968 1.00 0.00 H new ATOM 0 HG22 ILE A 999 6.314 10.953 6.267 1.00 0.00 H new ATOM 0 HG23 ILE A 999 4.623 10.453 6.504 1.00 0.00 H new ATOM 0 HD11 ILE A 999 4.431 6.322 5.662 1.00 0.00 H new ATOM 0 HD12 ILE A 999 6.128 6.824 5.482 1.00 0.00 H new ATOM 0 HD13 ILE A 999 5.124 7.528 6.772 1.00 0.00 H new ATOM 1260 N ASN A1000 7.215 11.708 3.345 1.00 0.00 N ATOM 1261 CA ASN A1000 8.171 12.806 3.408 1.00 0.00 C ATOM 1262 C ASN A1000 8.049 13.685 2.183 1.00 0.00 C ATOM 1263 O ASN A1000 8.636 14.747 2.144 1.00 0.00 O ATOM 1264 CB ASN A1000 9.612 12.294 3.480 1.00 0.00 C ATOM 1265 CG ASN A1000 9.829 11.227 4.531 1.00 0.00 C ATOM 1266 OD1 ASN A1000 10.083 11.527 5.698 1.00 0.00 O ATOM 1267 ND2 ASN A1000 9.758 9.972 4.113 1.00 0.00 N ATOM 0 H ASN A1000 7.548 10.890 2.835 1.00 0.00 H new ATOM 0 HA ASN A1000 7.942 13.373 4.310 1.00 0.00 H new ATOM 0 HB2 ASN A1000 9.895 11.894 2.506 1.00 0.00 H new ATOM 0 HB3 ASN A1000 10.276 13.134 3.685 1.00 0.00 H new ATOM 0 HD21 ASN A1000 9.917 9.207 4.768 1.00 0.00 H new ATOM 0 HD22 ASN A1000 9.544 9.771 3.136 1.00 0.00 H new ATOM 1274 N LYS A1001 7.312 13.233 1.181 1.00 0.00 N ATOM 1275 CA LYS A1001 7.195 13.976 -0.068 1.00 0.00 C ATOM 1276 C LYS A1001 6.095 15.011 0.009 1.00 0.00 C ATOM 1277 O LYS A1001 6.271 16.125 -0.474 1.00 0.00 O ATOM 1278 CB LYS A1001 7.002 13.055 -1.277 1.00 0.00 C ATOM 1279 CG LYS A1001 8.309 12.473 -1.803 1.00 0.00 C ATOM 1280 CD LYS A1001 9.283 13.574 -2.196 1.00 0.00 C ATOM 1281 CE LYS A1001 10.614 13.020 -2.694 1.00 0.00 C ATOM 1282 NZ LYS A1001 11.351 12.278 -1.635 1.00 0.00 N ATOM 0 H LYS A1001 6.787 12.359 1.206 1.00 0.00 H new ATOM 0 HA LYS A1001 8.141 14.498 -0.213 1.00 0.00 H new ATOM 0 HB2 LYS A1001 6.334 12.239 -1.001 1.00 0.00 H new ATOM 0 HB3 LYS A1001 6.512 13.612 -2.076 1.00 0.00 H new ATOM 0 HG2 LYS A1001 8.761 11.839 -1.040 1.00 0.00 H new ATOM 0 HG3 LYS A1001 8.106 11.838 -2.666 1.00 0.00 H new ATOM 0 HD2 LYS A1001 8.835 14.191 -2.975 1.00 0.00 H new ATOM 0 HD3 LYS A1001 9.460 14.222 -1.338 1.00 0.00 H new ATOM 0 HE2 LYS A1001 10.435 12.357 -3.541 1.00 0.00 H new ATOM 0 HE3 LYS A1001 11.233 13.840 -3.057 1.00 0.00 H new ATOM 0 HZ1 LYS A1001 12.321 12.646 -1.565 1.00 0.00 H new ATOM 0 HZ2 LYS A1001 10.867 12.402 -0.723 1.00 0.00 H new ATOM 0 HZ3 LYS A1001 11.381 11.267 -1.876 1.00 0.00 H new ATOM 1296 N MET A1002 4.960 14.674 0.619 1.00 0.00 N ATOM 1297 CA MET A1002 3.958 15.682 0.850 1.00 0.00 C ATOM 1298 C MET A1002 4.398 16.508 2.025 1.00 0.00 C ATOM 1299 O MET A1002 4.189 17.715 2.060 1.00 0.00 O ATOM 1300 CB MET A1002 2.594 15.088 1.130 1.00 0.00 C ATOM 1301 CG MET A1002 1.570 16.151 1.469 1.00 0.00 C ATOM 1302 SD MET A1002 1.010 17.081 0.033 1.00 0.00 S ATOM 1303 CE MET A1002 -0.288 16.007 -0.569 1.00 0.00 C ATOM 0 H MET A1002 4.726 13.738 0.949 1.00 0.00 H new ATOM 0 HA MET A1002 3.860 16.288 -0.051 1.00 0.00 H new ATOM 0 HB2 MET A1002 2.258 14.526 0.259 1.00 0.00 H new ATOM 0 HB3 MET A1002 2.669 14.381 1.956 1.00 0.00 H new ATOM 0 HG2 MET A1002 0.711 15.679 1.946 1.00 0.00 H new ATOM 0 HG3 MET A1002 1.999 16.841 2.196 1.00 0.00 H new ATOM 0 HE1 MET A1002 -0.139 15.816 -1.632 1.00 0.00 H new ATOM 0 HE2 MET A1002 -0.262 15.064 -0.023 1.00 0.00 H new ATOM 0 HE3 MET A1002 -1.255 16.486 -0.419 1.00 0.00 H new ATOM 1313 N LYS A1003 5.018 15.841 2.995 1.00 0.00 N ATOM 1314 CA LYS A1003 5.653 16.541 4.083 1.00 0.00 C ATOM 1315 C LYS A1003 6.618 17.556 3.503 1.00 0.00 C ATOM 1316 O LYS A1003 6.532 18.719 3.830 1.00 0.00 O ATOM 1317 CB LYS A1003 6.391 15.574 5.003 1.00 0.00 C ATOM 1318 CG LYS A1003 6.994 16.238 6.226 1.00 0.00 C ATOM 1319 CD LYS A1003 7.763 15.236 7.073 1.00 0.00 C ATOM 1320 CE LYS A1003 8.443 15.901 8.258 1.00 0.00 C ATOM 1321 NZ LYS A1003 7.470 16.411 9.259 1.00 0.00 N ATOM 0 H LYS A1003 5.088 14.824 3.041 1.00 0.00 H new ATOM 0 HA LYS A1003 4.893 17.044 4.680 1.00 0.00 H new ATOM 0 HB2 LYS A1003 5.700 14.795 5.326 1.00 0.00 H new ATOM 0 HB3 LYS A1003 7.184 15.083 4.439 1.00 0.00 H new ATOM 0 HG2 LYS A1003 7.661 17.042 5.915 1.00 0.00 H new ATOM 0 HG3 LYS A1003 6.203 16.692 6.823 1.00 0.00 H new ATOM 0 HD2 LYS A1003 7.081 14.465 7.431 1.00 0.00 H new ATOM 0 HD3 LYS A1003 8.512 14.738 6.457 1.00 0.00 H new ATOM 0 HE2 LYS A1003 9.112 15.186 8.737 1.00 0.00 H new ATOM 0 HE3 LYS A1003 9.060 16.726 7.903 1.00 0.00 H new ATOM 0 HZ1 LYS A1003 7.984 16.810 10.071 1.00 0.00 H new ATOM 0 HZ2 LYS A1003 6.881 17.150 8.825 1.00 0.00 H new ATOM 0 HZ3 LYS A1003 6.864 15.631 9.583 1.00 0.00 H new ATOM 1335 N LEU A1004 7.519 17.090 2.629 1.00 0.00 N ATOM 1336 CA LEU A1004 8.459 17.956 1.907 1.00 0.00 C ATOM 1337 C LEU A1004 7.736 19.077 1.190 1.00 0.00 C ATOM 1338 O LEU A1004 8.103 20.231 1.337 1.00 0.00 O ATOM 1339 CB LEU A1004 9.258 17.144 0.877 1.00 0.00 C ATOM 1340 CG LEU A1004 10.558 17.775 0.353 1.00 0.00 C ATOM 1341 CD1 LEU A1004 11.399 16.724 -0.352 1.00 0.00 C ATOM 1342 CD2 LEU A1004 10.278 18.930 -0.604 1.00 0.00 C ATOM 0 H LEU A1004 7.617 16.100 2.402 1.00 0.00 H new ATOM 0 HA LEU A1004 9.136 18.385 2.646 1.00 0.00 H new ATOM 0 HB2 LEU A1004 9.504 16.180 1.322 1.00 0.00 H new ATOM 0 HB3 LEU A1004 8.609 16.945 0.024 1.00 0.00 H new ATOM 0 HG LEU A1004 11.102 18.170 1.211 1.00 0.00 H new ATOM 0 HD11 LEU A1004 12.318 17.180 -0.720 1.00 0.00 H new ATOM 0 HD12 LEU A1004 11.645 15.925 0.348 1.00 0.00 H new ATOM 0 HD13 LEU A1004 10.838 16.311 -1.190 1.00 0.00 H new ATOM 0 HD21 LEU A1004 11.221 19.350 -0.953 1.00 0.00 H new ATOM 0 HD22 LEU A1004 9.706 18.565 -1.457 1.00 0.00 H new ATOM 0 HD23 LEU A1004 9.707 19.701 -0.087 1.00 0.00 H new ATOM 1354 N ALA A1005 6.729 18.739 0.394 1.00 0.00 N ATOM 1355 CA ALA A1005 6.007 19.747 -0.365 1.00 0.00 C ATOM 1356 C ALA A1005 5.468 20.810 0.570 1.00 0.00 C ATOM 1357 O ALA A1005 5.766 21.992 0.425 1.00 0.00 O ATOM 1358 CB ALA A1005 4.862 19.110 -1.142 1.00 0.00 C ATOM 0 H ALA A1005 6.398 17.784 0.259 1.00 0.00 H new ATOM 0 HA ALA A1005 6.695 20.208 -1.074 1.00 0.00 H new ATOM 0 HB1 ALA A1005 4.332 19.879 -1.705 1.00 0.00 H new ATOM 0 HB2 ALA A1005 5.260 18.365 -1.831 1.00 0.00 H new ATOM 0 HB3 ALA A1005 4.173 18.630 -0.447 1.00 0.00 H new ATOM 1364 N GLN A1006 4.766 20.356 1.584 1.00 0.00 N ATOM 1365 CA GLN A1006 4.174 21.234 2.567 1.00 0.00 C ATOM 1366 C GLN A1006 5.245 21.819 3.478 1.00 0.00 C ATOM 1367 O GLN A1006 4.978 22.725 4.264 1.00 0.00 O ATOM 1368 CB GLN A1006 3.122 20.457 3.370 1.00 0.00 C ATOM 1369 CG GLN A1006 2.025 19.873 2.512 1.00 0.00 C ATOM 1370 CD GLN A1006 1.624 20.784 1.370 1.00 0.00 C ATOM 1371 OE1 GLN A1006 2.095 20.637 0.247 1.00 0.00 O ATOM 1372 NE2 GLN A1006 0.778 21.754 1.657 1.00 0.00 N ATOM 0 H GLN A1006 4.589 19.365 1.750 1.00 0.00 H new ATOM 0 HA GLN A1006 3.686 22.068 2.063 1.00 0.00 H new ATOM 0 HB2 GLN A1006 3.614 19.652 3.916 1.00 0.00 H new ATOM 0 HB3 GLN A1006 2.678 21.121 4.112 1.00 0.00 H new ATOM 0 HG2 GLN A1006 2.356 18.916 2.108 1.00 0.00 H new ATOM 0 HG3 GLN A1006 1.152 19.672 3.133 1.00 0.00 H new ATOM 0 HE21 GLN A1006 0.407 21.844 2.603 1.00 0.00 H new ATOM 0 HE22 GLN A1006 0.494 22.414 0.933 1.00 0.00 H new ATOM 1381 N GLN A1007 6.459 21.295 3.367 1.00 0.00 N ATOM 1382 CA GLN A1007 7.565 21.755 4.175 1.00 0.00 C ATOM 1383 C GLN A1007 8.379 22.795 3.432 1.00 0.00 C ATOM 1384 O GLN A1007 9.015 23.659 4.032 1.00 0.00 O ATOM 1385 CB GLN A1007 8.455 20.569 4.551 1.00 0.00 C ATOM 1386 CG GLN A1007 8.952 20.595 5.981 1.00 0.00 C ATOM 1387 CD GLN A1007 7.810 20.560 6.980 1.00 0.00 C ATOM 1388 OE1 GLN A1007 7.921 21.086 8.084 1.00 0.00 O ATOM 1389 NE2 GLN A1007 6.695 19.947 6.595 1.00 0.00 N ATOM 0 H GLN A1007 6.697 20.545 2.718 1.00 0.00 H new ATOM 0 HA GLN A1007 7.167 22.214 5.080 1.00 0.00 H new ATOM 0 HB2 GLN A1007 7.899 19.646 4.388 1.00 0.00 H new ATOM 0 HB3 GLN A1007 9.314 20.546 3.880 1.00 0.00 H new ATOM 0 HG2 GLN A1007 9.610 19.743 6.152 1.00 0.00 H new ATOM 0 HG3 GLN A1007 9.547 21.494 6.142 1.00 0.00 H new ATOM 0 HE21 GLN A1007 6.640 19.521 5.670 1.00 0.00 H new ATOM 0 HE22 GLN A1007 5.894 19.902 7.225 1.00 0.00 H new ATOM 1398 N TYR A1008 8.349 22.701 2.121 1.00 0.00 N ATOM 1399 CA TYR A1008 9.112 23.578 1.265 1.00 0.00 C ATOM 1400 C TYR A1008 8.225 24.747 0.855 1.00 0.00 C ATOM 1401 O TYR A1008 8.660 25.669 0.159 1.00 0.00 O ATOM 1402 CB TYR A1008 9.585 22.755 0.062 1.00 0.00 C ATOM 1403 CG TYR A1008 10.547 23.444 -0.871 1.00 0.00 C ATOM 1404 CD1 TYR A1008 11.698 24.060 -0.401 1.00 0.00 C ATOM 1405 CD2 TYR A1008 10.301 23.459 -2.230 1.00 0.00 C ATOM 1406 CE1 TYR A1008 12.578 24.678 -1.270 1.00 0.00 C ATOM 1407 CE2 TYR A1008 11.175 24.069 -3.108 1.00 0.00 C ATOM 1408 CZ TYR A1008 12.312 24.679 -2.622 1.00 0.00 C ATOM 1409 OH TYR A1008 13.190 25.284 -3.491 1.00 0.00 O ATOM 0 H TYR A1008 7.792 22.011 1.618 1.00 0.00 H new ATOM 0 HA TYR A1008 9.987 23.990 1.768 1.00 0.00 H new ATOM 0 HB2 TYR A1008 10.057 21.845 0.432 1.00 0.00 H new ATOM 0 HB3 TYR A1008 8.710 22.449 -0.511 1.00 0.00 H new ATOM 0 HD1 TYR A1008 11.909 24.057 0.658 1.00 0.00 H new ATOM 0 HD2 TYR A1008 9.409 22.985 -2.613 1.00 0.00 H new ATOM 0 HE1 TYR A1008 13.469 25.157 -0.891 1.00 0.00 H new ATOM 0 HE2 TYR A1008 10.969 24.068 -4.168 1.00 0.00 H new ATOM 0 HH TYR A1008 12.856 25.195 -4.408 1.00 0.00 H new ATOM 1496 N GLN A1014 3.584 25.962 -4.104 1.00 0.00 N ATOM 1497 CA GLN A1014 3.260 24.788 -3.297 1.00 0.00 C ATOM 1498 C GLN A1014 2.779 23.645 -4.188 1.00 0.00 C ATOM 1499 O GLN A1014 3.163 22.492 -4.014 1.00 0.00 O ATOM 1500 CB GLN A1014 2.187 25.136 -2.256 1.00 0.00 C ATOM 1501 CG GLN A1014 1.938 24.027 -1.241 1.00 0.00 C ATOM 1502 CD GLN A1014 3.222 23.398 -0.795 1.00 0.00 C ATOM 1503 OE1 GLN A1014 3.859 23.873 0.130 1.00 0.00 O ATOM 1504 NE2 GLN A1014 3.586 22.301 -1.427 1.00 0.00 N ATOM 0 HA GLN A1014 4.162 24.467 -2.776 1.00 0.00 H new ATOM 0 HB2 GLN A1014 2.486 26.041 -1.727 1.00 0.00 H new ATOM 0 HB3 GLN A1014 1.253 25.362 -2.771 1.00 0.00 H new ATOM 0 HG2 GLN A1014 1.411 24.433 -0.378 1.00 0.00 H new ATOM 0 HG3 GLN A1014 1.292 23.267 -1.681 1.00 0.00 H new ATOM 0 HE21 GLN A1014 3.019 21.943 -2.195 1.00 0.00 H new ATOM 0 HE22 GLN A1014 4.435 21.809 -1.148 1.00 0.00 H new ATOM 1513 N GLN A1015 1.972 23.980 -5.168 1.00 0.00 N ATOM 1514 CA GLN A1015 1.411 22.968 -6.038 1.00 0.00 C ATOM 1515 C GLN A1015 2.487 22.369 -6.943 1.00 0.00 C ATOM 1516 O GLN A1015 2.349 21.243 -7.401 1.00 0.00 O ATOM 1517 CB GLN A1015 0.245 23.512 -6.847 1.00 0.00 C ATOM 1518 CG GLN A1015 0.614 24.608 -7.829 1.00 0.00 C ATOM 1519 CD GLN A1015 -0.567 25.046 -8.669 1.00 0.00 C ATOM 1520 OE1 GLN A1015 -1.717 24.969 -8.235 1.00 0.00 O ATOM 1521 NE2 GLN A1015 -0.293 25.508 -9.876 1.00 0.00 N ATOM 0 H GLN A1015 1.690 24.936 -5.383 1.00 0.00 H new ATOM 0 HA GLN A1015 1.021 22.168 -5.408 1.00 0.00 H new ATOM 0 HB2 GLN A1015 -0.214 22.690 -7.396 1.00 0.00 H new ATOM 0 HB3 GLN A1015 -0.509 23.897 -6.160 1.00 0.00 H new ATOM 0 HG2 GLN A1015 1.007 25.466 -7.283 1.00 0.00 H new ATOM 0 HG3 GLN A1015 1.411 24.254 -8.483 1.00 0.00 H new ATOM 0 HE21 GLN A1015 0.674 25.555 -10.197 1.00 0.00 H new ATOM 0 HE22 GLN A1015 -1.049 25.818 -10.487 1.00 0.00 H new ATOM 1530 N GLU A1016 3.535 23.140 -7.223 1.00 0.00 N ATOM 1531 CA GLU A1016 4.751 22.594 -7.829 1.00 0.00 C ATOM 1532 C GLU A1016 5.285 21.417 -7.013 1.00 0.00 C ATOM 1533 O GLU A1016 5.493 20.328 -7.547 1.00 0.00 O ATOM 1534 CB GLU A1016 5.827 23.672 -7.934 1.00 0.00 C ATOM 1535 CG GLU A1016 7.238 23.118 -8.065 1.00 0.00 C ATOM 1536 CD GLU A1016 7.573 22.653 -9.467 1.00 0.00 C ATOM 1537 OE1 GLU A1016 7.084 21.582 -9.876 1.00 0.00 O ATOM 1538 OE2 GLU A1016 8.336 23.354 -10.162 1.00 0.00 O ATOM 0 H GLU A1016 3.569 24.143 -7.041 1.00 0.00 H new ATOM 0 HA GLU A1016 4.497 22.243 -8.829 1.00 0.00 H new ATOM 0 HB2 GLU A1016 5.613 24.304 -8.796 1.00 0.00 H new ATOM 0 HB3 GLU A1016 5.777 24.310 -7.051 1.00 0.00 H new ATOM 0 HG2 GLU A1016 7.951 23.886 -7.764 1.00 0.00 H new ATOM 0 HG3 GLU A1016 7.358 22.283 -7.375 1.00 0.00 H new ATOM 1545 N TYR A1017 5.496 21.635 -5.713 1.00 0.00 N ATOM 1546 CA TYR A1017 6.017 20.578 -4.848 1.00 0.00 C ATOM 1547 C TYR A1017 4.989 19.452 -4.797 1.00 0.00 C ATOM 1548 O TYR A1017 5.312 18.287 -4.569 1.00 0.00 O ATOM 1549 CB TYR A1017 6.328 21.082 -3.418 1.00 0.00 C ATOM 1550 CG TYR A1017 6.832 22.502 -3.307 1.00 0.00 C ATOM 1551 CD1 TYR A1017 7.510 23.126 -4.348 1.00 0.00 C ATOM 1552 CD2 TYR A1017 6.614 23.224 -2.140 1.00 0.00 C ATOM 1553 CE1 TYR A1017 7.949 24.428 -4.229 1.00 0.00 C ATOM 1554 CE2 TYR A1017 7.050 24.519 -2.020 1.00 0.00 C ATOM 1555 CZ TYR A1017 7.714 25.120 -3.060 1.00 0.00 C ATOM 1556 OH TYR A1017 8.157 26.415 -2.921 1.00 0.00 O ATOM 0 H TYR A1017 5.317 22.522 -5.242 1.00 0.00 H new ATOM 0 HA TYR A1017 6.961 20.225 -5.264 1.00 0.00 H new ATOM 0 HB2 TYR A1017 5.422 20.992 -2.818 1.00 0.00 H new ATOM 0 HB3 TYR A1017 7.071 20.419 -2.975 1.00 0.00 H new ATOM 0 HD1 TYR A1017 7.696 22.583 -5.263 1.00 0.00 H new ATOM 0 HD2 TYR A1017 6.094 22.759 -1.316 1.00 0.00 H new ATOM 0 HE1 TYR A1017 8.473 24.902 -5.046 1.00 0.00 H new ATOM 0 HE2 TYR A1017 6.871 25.066 -1.106 1.00 0.00 H new ATOM 0 HH TYR A1017 8.413 26.575 -1.989 1.00 0.00 H new ATOM 1566 N LYS A1018 3.745 19.837 -5.042 1.00 0.00 N ATOM 1567 CA LYS A1018 2.622 18.909 -5.092 1.00 0.00 C ATOM 1568 C LYS A1018 2.638 18.081 -6.382 1.00 0.00 C ATOM 1569 O LYS A1018 2.097 16.975 -6.416 1.00 0.00 O ATOM 1570 CB LYS A1018 1.305 19.685 -4.962 1.00 0.00 C ATOM 1571 CG LYS A1018 0.052 18.827 -5.027 1.00 0.00 C ATOM 1572 CD LYS A1018 -0.034 17.862 -3.858 1.00 0.00 C ATOM 1573 CE LYS A1018 -1.321 17.052 -3.896 1.00 0.00 C ATOM 1574 NZ LYS A1018 -1.447 16.264 -5.152 1.00 0.00 N ATOM 0 H LYS A1018 3.484 20.808 -5.213 1.00 0.00 H new ATOM 0 HA LYS A1018 2.712 18.213 -4.258 1.00 0.00 H new ATOM 0 HB2 LYS A1018 1.310 20.226 -4.016 1.00 0.00 H new ATOM 0 HB3 LYS A1018 1.259 20.431 -5.755 1.00 0.00 H new ATOM 0 HG2 LYS A1018 -0.828 19.470 -5.033 1.00 0.00 H new ATOM 0 HG3 LYS A1018 0.044 18.267 -5.962 1.00 0.00 H new ATOM 0 HD2 LYS A1018 0.822 17.188 -3.878 1.00 0.00 H new ATOM 0 HD3 LYS A1018 0.020 18.418 -2.922 1.00 0.00 H new ATOM 0 HE2 LYS A1018 -1.350 16.377 -3.040 1.00 0.00 H new ATOM 0 HE3 LYS A1018 -2.175 17.723 -3.802 1.00 0.00 H new ATOM 0 HZ1 LYS A1018 -2.244 15.602 -5.068 1.00 0.00 H new ATOM 0 HZ2 LYS A1018 -1.615 16.908 -5.951 1.00 0.00 H new ATOM 0 HZ3 LYS A1018 -0.570 15.730 -5.317 1.00 0.00 H new ATOM 1588 N LYS A1019 3.254 18.607 -7.443 1.00 0.00 N ATOM 1589 CA LYS A1019 3.340 17.872 -8.706 1.00 0.00 C ATOM 1590 C LYS A1019 4.256 16.673 -8.530 1.00 0.00 C ATOM 1591 O LYS A1019 3.863 15.530 -8.769 1.00 0.00 O ATOM 1592 CB LYS A1019 3.880 18.763 -9.832 1.00 0.00 C ATOM 1593 CG LYS A1019 3.062 20.017 -10.087 1.00 0.00 C ATOM 1594 CD LYS A1019 1.623 19.694 -10.449 1.00 0.00 C ATOM 1595 CE LYS A1019 0.825 20.958 -10.719 1.00 0.00 C ATOM 1596 NZ LYS A1019 1.357 21.708 -11.885 1.00 0.00 N ATOM 0 H LYS A1019 3.695 19.527 -7.454 1.00 0.00 H new ATOM 0 HA LYS A1019 2.337 17.544 -8.980 1.00 0.00 H new ATOM 0 HB2 LYS A1019 4.902 19.054 -9.590 1.00 0.00 H new ATOM 0 HB3 LYS A1019 3.924 18.179 -10.751 1.00 0.00 H new ATOM 0 HG2 LYS A1019 3.079 20.648 -9.198 1.00 0.00 H new ATOM 0 HG3 LYS A1019 3.519 20.590 -10.894 1.00 0.00 H new ATOM 0 HD2 LYS A1019 1.603 19.053 -11.330 1.00 0.00 H new ATOM 0 HD3 LYS A1019 1.158 19.134 -9.637 1.00 0.00 H new ATOM 0 HE2 LYS A1019 -0.218 20.698 -10.900 1.00 0.00 H new ATOM 0 HE3 LYS A1019 0.846 21.597 -9.836 1.00 0.00 H new ATOM 0 HZ1 LYS A1019 0.663 22.422 -12.185 1.00 0.00 H new ATOM 0 HZ2 LYS A1019 2.245 22.179 -11.619 1.00 0.00 H new ATOM 0 HZ3 LYS A1019 1.536 21.049 -12.669 1.00 0.00 H new ATOM 1610 N GLN A1020 5.490 16.960 -8.126 1.00 0.00 N ATOM 1611 CA GLN A1020 6.447 15.921 -7.745 1.00 0.00 C ATOM 1612 C GLN A1020 5.835 14.942 -6.742 1.00 0.00 C ATOM 1613 O GLN A1020 6.130 13.746 -6.770 1.00 0.00 O ATOM 1614 CB GLN A1020 7.723 16.548 -7.169 1.00 0.00 C ATOM 1615 CG GLN A1020 8.695 17.074 -8.221 1.00 0.00 C ATOM 1616 CD GLN A1020 8.096 18.147 -9.113 1.00 0.00 C ATOM 1617 OE1 GLN A1020 7.524 17.850 -10.161 1.00 0.00 O ATOM 1618 NE2 GLN A1020 8.222 19.398 -8.705 1.00 0.00 N ATOM 0 H GLN A1020 5.854 17.910 -8.053 1.00 0.00 H new ATOM 0 HA GLN A1020 6.707 15.362 -8.644 1.00 0.00 H new ATOM 0 HB2 GLN A1020 7.444 17.368 -6.507 1.00 0.00 H new ATOM 0 HB3 GLN A1020 8.235 15.805 -6.558 1.00 0.00 H new ATOM 0 HG2 GLN A1020 9.576 17.477 -7.722 1.00 0.00 H new ATOM 0 HG3 GLN A1020 9.032 16.243 -8.841 1.00 0.00 H new ATOM 0 HE21 GLN A1020 8.704 19.603 -7.829 1.00 0.00 H new ATOM 0 HE22 GLN A1020 7.838 20.158 -9.266 1.00 0.00 H new ATOM 1627 N MET A1021 4.982 15.454 -5.861 1.00 0.00 N ATOM 1628 CA MET A1021 4.264 14.611 -4.909 1.00 0.00 C ATOM 1629 C MET A1021 3.280 13.693 -5.633 1.00 0.00 C ATOM 1630 O MET A1021 3.188 12.509 -5.321 1.00 0.00 O ATOM 1631 CB MET A1021 3.530 15.474 -3.871 1.00 0.00 C ATOM 1632 CG MET A1021 2.627 14.685 -2.926 1.00 0.00 C ATOM 1633 SD MET A1021 1.009 14.306 -3.643 1.00 0.00 S ATOM 1634 CE MET A1021 0.352 13.171 -2.424 1.00 0.00 C ATOM 0 H MET A1021 4.770 16.449 -5.786 1.00 0.00 H new ATOM 0 HA MET A1021 4.992 13.989 -4.389 1.00 0.00 H new ATOM 0 HB2 MET A1021 4.267 16.018 -3.281 1.00 0.00 H new ATOM 0 HB3 MET A1021 2.928 16.218 -4.394 1.00 0.00 H new ATOM 0 HG2 MET A1021 3.123 13.754 -2.651 1.00 0.00 H new ATOM 0 HG3 MET A1021 2.486 15.254 -2.007 1.00 0.00 H new ATOM 0 HE1 MET A1021 -0.579 13.569 -2.020 1.00 0.00 H new ATOM 0 HE2 MET A1021 0.161 12.205 -2.892 1.00 0.00 H new ATOM 0 HE3 MET A1021 1.074 13.047 -1.617 1.00 0.00 H new ATOM 1644 N LEU A1022 2.557 14.242 -6.602 1.00 0.00 N ATOM 1645 CA LEU A1022 1.551 13.484 -7.342 1.00 0.00 C ATOM 1646 C LEU A1022 2.198 12.357 -8.146 1.00 0.00 C ATOM 1647 O LEU A1022 1.656 11.253 -8.233 1.00 0.00 O ATOM 1648 CB LEU A1022 0.759 14.407 -8.272 1.00 0.00 C ATOM 1649 CG LEU A1022 -0.426 13.752 -8.988 1.00 0.00 C ATOM 1650 CD1 LEU A1022 -1.452 13.252 -7.981 1.00 0.00 C ATOM 1651 CD2 LEU A1022 -1.065 14.733 -9.956 1.00 0.00 C ATOM 0 H LEU A1022 2.648 15.214 -6.896 1.00 0.00 H new ATOM 0 HA LEU A1022 0.866 13.041 -6.619 1.00 0.00 H new ATOM 0 HB2 LEU A1022 0.390 15.252 -7.691 1.00 0.00 H new ATOM 0 HB3 LEU A1022 1.439 14.810 -9.023 1.00 0.00 H new ATOM 0 HG LEU A1022 -0.057 12.896 -9.553 1.00 0.00 H new ATOM 0 HD11 LEU A1022 -2.286 12.790 -8.510 1.00 0.00 H new ATOM 0 HD12 LEU A1022 -0.988 12.517 -7.323 1.00 0.00 H new ATOM 0 HD13 LEU A1022 -1.818 14.090 -7.388 1.00 0.00 H new ATOM 0 HD21 LEU A1022 -1.906 14.254 -10.458 1.00 0.00 H new ATOM 0 HD22 LEU A1022 -1.419 15.606 -9.408 1.00 0.00 H new ATOM 0 HD23 LEU A1022 -0.329 15.044 -10.698 1.00 0.00 H new ATOM 1663 N THR A1023 3.357 12.637 -8.729 1.00 0.00 N ATOM 1664 CA THR A1023 4.123 11.622 -9.446 1.00 0.00 C ATOM 1665 C THR A1023 4.561 10.512 -8.489 1.00 0.00 C ATOM 1666 O THR A1023 4.613 9.331 -8.848 1.00 0.00 O ATOM 1667 CB THR A1023 5.355 12.253 -10.128 1.00 0.00 C ATOM 1668 OG1 THR A1023 4.934 13.342 -10.960 1.00 0.00 O ATOM 1669 CG2 THR A1023 6.106 11.232 -10.972 1.00 0.00 C ATOM 0 H THR A1023 3.789 13.561 -8.720 1.00 0.00 H new ATOM 0 HA THR A1023 3.484 11.190 -10.216 1.00 0.00 H new ATOM 0 HB THR A1023 6.028 12.612 -9.350 1.00 0.00 H new ATOM 0 HG1 THR A1023 5.716 13.745 -11.392 1.00 0.00 H new ATOM 0 HG21 THR A1023 6.968 11.709 -11.438 1.00 0.00 H new ATOM 0 HG22 THR A1023 6.444 10.413 -10.337 1.00 0.00 H new ATOM 0 HG23 THR A1023 5.444 10.842 -11.746 1.00 0.00 H new ATOM 1677 N ALA A1024 4.816 10.898 -7.250 1.00 0.00 N ATOM 1678 CA ALA A1024 5.238 9.954 -6.233 1.00 0.00 C ATOM 1679 C ALA A1024 4.034 9.173 -5.722 1.00 0.00 C ATOM 1680 O ALA A1024 4.114 7.968 -5.498 1.00 0.00 O ATOM 1681 CB ALA A1024 5.941 10.677 -5.093 1.00 0.00 C ATOM 0 H ALA A1024 4.737 11.862 -6.925 1.00 0.00 H new ATOM 0 HA ALA A1024 5.947 9.252 -6.672 1.00 0.00 H new ATOM 0 HB1 ALA A1024 6.251 9.953 -4.339 1.00 0.00 H new ATOM 0 HB2 ALA A1024 6.818 11.198 -5.478 1.00 0.00 H new ATOM 0 HB3 ALA A1024 5.259 11.399 -4.644 1.00 0.00 H new ATOM 1687 N ALA A1025 2.913 9.870 -5.561 1.00 0.00 N ATOM 1688 CA ALA A1025 1.673 9.255 -5.101 1.00 0.00 C ATOM 1689 C ALA A1025 1.222 8.169 -6.061 1.00 0.00 C ATOM 1690 O ALA A1025 0.663 7.155 -5.648 1.00 0.00 O ATOM 1691 CB ALA A1025 0.582 10.304 -4.941 1.00 0.00 C ATOM 0 H ALA A1025 2.839 10.871 -5.744 1.00 0.00 H new ATOM 0 HA ALA A1025 1.862 8.799 -4.129 1.00 0.00 H new ATOM 0 HB1 ALA A1025 -0.335 9.826 -4.597 1.00 0.00 H new ATOM 0 HB2 ALA A1025 0.898 11.049 -4.211 1.00 0.00 H new ATOM 0 HB3 ALA A1025 0.401 10.789 -5.900 1.00 0.00 H new ATOM 1697 N HIS A1026 1.462 8.388 -7.346 1.00 0.00 N ATOM 1698 CA HIS A1026 1.180 7.375 -8.352 1.00 0.00 C ATOM 1699 C HIS A1026 2.044 6.144 -8.105 1.00 0.00 C ATOM 1700 O HIS A1026 1.577 5.017 -8.244 1.00 0.00 O ATOM 1701 CB HIS A1026 1.420 7.930 -9.765 1.00 0.00 C ATOM 1702 CG HIS A1026 1.256 6.916 -10.862 1.00 0.00 C ATOM 1703 ND1 HIS A1026 2.153 6.782 -11.902 1.00 0.00 N ATOM 1704 CD2 HIS A1026 0.295 5.985 -11.079 1.00 0.00 C ATOM 1705 CE1 HIS A1026 1.750 5.817 -12.708 1.00 0.00 C ATOM 1706 NE2 HIS A1026 0.627 5.318 -12.230 1.00 0.00 N ATOM 0 H HIS A1026 1.850 9.256 -7.716 1.00 0.00 H new ATOM 0 HA HIS A1026 0.131 7.089 -8.276 1.00 0.00 H new ATOM 0 HB2 HIS A1026 0.729 8.754 -9.941 1.00 0.00 H new ATOM 0 HB3 HIS A1026 2.428 8.343 -9.815 1.00 0.00 H new ATOM 0 HD2 HIS A1026 -0.571 5.803 -10.460 1.00 0.00 H new ATOM 0 HE1 HIS A1026 2.254 5.492 -13.606 1.00 0.00 H new ATOM 0 HE2 HIS A1026 0.091 4.558 -12.649 1.00 0.00 H new ATOM 1715 N ALA A1027 3.292 6.371 -7.719 1.00 0.00 N ATOM 1716 CA ALA A1027 4.216 5.279 -7.441 1.00 0.00 C ATOM 1717 C ALA A1027 3.788 4.482 -6.207 1.00 0.00 C ATOM 1718 O ALA A1027 3.802 3.253 -6.231 1.00 0.00 O ATOM 1719 CB ALA A1027 5.629 5.813 -7.275 1.00 0.00 C ATOM 0 H ALA A1027 3.689 7.302 -7.591 1.00 0.00 H new ATOM 0 HA ALA A1027 4.197 4.598 -8.292 1.00 0.00 H new ATOM 0 HB1 ALA A1027 6.308 4.986 -7.068 1.00 0.00 H new ATOM 0 HB2 ALA A1027 5.938 6.316 -8.192 1.00 0.00 H new ATOM 0 HB3 ALA A1027 5.655 6.521 -6.446 1.00 0.00 H new ATOM 1725 N LEU A1028 3.384 5.174 -5.139 1.00 0.00 N ATOM 1726 CA LEU A1028 2.945 4.481 -3.927 1.00 0.00 C ATOM 1727 C LEU A1028 1.591 3.798 -4.165 1.00 0.00 C ATOM 1728 O LEU A1028 1.313 2.732 -3.630 1.00 0.00 O ATOM 1729 CB LEU A1028 2.936 5.424 -2.686 1.00 0.00 C ATOM 1730 CG LEU A1028 1.666 5.420 -1.812 1.00 0.00 C ATOM 1731 CD1 LEU A1028 1.943 6.033 -0.456 1.00 0.00 C ATOM 1732 CD2 LEU A1028 0.540 6.192 -2.470 1.00 0.00 C ATOM 0 H LEU A1028 3.352 6.192 -5.088 1.00 0.00 H new ATOM 0 HA LEU A1028 3.670 3.700 -3.697 1.00 0.00 H new ATOM 0 HB2 LEU A1028 3.783 5.159 -2.053 1.00 0.00 H new ATOM 0 HB3 LEU A1028 3.104 6.443 -3.034 1.00 0.00 H new ATOM 0 HG LEU A1028 1.366 4.379 -1.692 1.00 0.00 H new ATOM 0 HD11 LEU A1028 1.032 6.019 0.143 1.00 0.00 H new ATOM 0 HD12 LEU A1028 2.719 5.460 0.051 1.00 0.00 H new ATOM 0 HD13 LEU A1028 2.277 7.063 -0.584 1.00 0.00 H new ATOM 0 HD21 LEU A1028 -0.340 6.170 -1.828 1.00 0.00 H new ATOM 0 HD22 LEU A1028 0.850 7.226 -2.625 1.00 0.00 H new ATOM 0 HD23 LEU A1028 0.300 5.737 -3.431 1.00 0.00 H new ATOM 1744 N ALA A1029 0.739 4.413 -4.975 1.00 0.00 N ATOM 1745 CA ALA A1029 -0.491 3.750 -5.393 1.00 0.00 C ATOM 1746 C ALA A1029 -0.181 2.413 -6.068 1.00 0.00 C ATOM 1747 O ALA A1029 -0.952 1.458 -5.958 1.00 0.00 O ATOM 1748 CB ALA A1029 -1.314 4.642 -6.309 1.00 0.00 C ATOM 0 H ALA A1029 0.872 5.352 -5.350 1.00 0.00 H new ATOM 0 HA ALA A1029 -1.086 3.553 -4.501 1.00 0.00 H new ATOM 0 HB1 ALA A1029 -2.224 4.120 -6.603 1.00 0.00 H new ATOM 0 HB2 ALA A1029 -1.576 5.560 -5.783 1.00 0.00 H new ATOM 0 HB3 ALA A1029 -0.732 4.886 -7.198 1.00 0.00 H new ATOM 1754 N VAL A1030 0.954 2.350 -6.761 1.00 0.00 N ATOM 1755 CA VAL A1030 1.417 1.111 -7.373 1.00 0.00 C ATOM 1756 C VAL A1030 1.910 0.110 -6.322 1.00 0.00 C ATOM 1757 O VAL A1030 1.814 -1.100 -6.534 1.00 0.00 O ATOM 1758 CB VAL A1030 2.536 1.378 -8.410 1.00 0.00 C ATOM 1759 CG1 VAL A1030 3.083 0.078 -8.989 1.00 0.00 C ATOM 1760 CG2 VAL A1030 2.019 2.269 -9.529 1.00 0.00 C ATOM 0 H VAL A1030 1.571 3.148 -6.912 1.00 0.00 H new ATOM 0 HA VAL A1030 0.560 0.675 -7.887 1.00 0.00 H new ATOM 0 HB VAL A1030 3.350 1.886 -7.894 1.00 0.00 H new ATOM 0 HG11 VAL A1030 3.866 0.303 -9.713 1.00 0.00 H new ATOM 0 HG12 VAL A1030 3.496 -0.533 -8.186 1.00 0.00 H new ATOM 0 HG13 VAL A1030 2.279 -0.467 -9.483 1.00 0.00 H new ATOM 0 HG21 VAL A1030 2.817 2.448 -10.250 1.00 0.00 H new ATOM 0 HG22 VAL A1030 1.183 1.779 -10.027 1.00 0.00 H new ATOM 0 HG23 VAL A1030 1.686 3.220 -9.113 1.00 0.00 H new ATOM 1770 N ASP A1031 2.399 0.590 -5.178 1.00 0.00 N ATOM 1771 CA ASP A1031 2.889 -0.336 -4.155 1.00 0.00 C ATOM 1772 C ASP A1031 1.709 -1.006 -3.471 1.00 0.00 C ATOM 1773 O ASP A1031 1.715 -2.223 -3.253 1.00 0.00 O ATOM 1774 CB ASP A1031 3.869 0.304 -3.140 1.00 0.00 C ATOM 1775 CG ASP A1031 3.287 1.324 -2.170 1.00 0.00 C ATOM 1776 OD1 ASP A1031 2.316 1.007 -1.455 1.00 0.00 O ATOM 1777 OD2 ASP A1031 3.852 2.432 -2.086 1.00 0.00 O ATOM 0 H ASP A1031 2.466 1.580 -4.940 1.00 0.00 H new ATOM 0 HA ASP A1031 3.487 -1.092 -4.663 1.00 0.00 H new ATOM 0 HB2 ASP A1031 4.325 -0.497 -2.557 1.00 0.00 H new ATOM 0 HB3 ASP A1031 4.670 0.787 -3.700 1.00 0.00 H new ATOM 1782 N ALA A1032 0.669 -0.227 -3.203 1.00 0.00 N ATOM 1783 CA ALA A1032 -0.578 -0.765 -2.686 1.00 0.00 C ATOM 1784 C ALA A1032 -1.154 -1.765 -3.684 1.00 0.00 C ATOM 1785 O ALA A1032 -1.496 -2.893 -3.328 1.00 0.00 O ATOM 1786 CB ALA A1032 -1.575 0.356 -2.432 1.00 0.00 C ATOM 0 H ALA A1032 0.667 0.784 -3.337 1.00 0.00 H new ATOM 0 HA ALA A1032 -0.382 -1.271 -1.741 1.00 0.00 H new ATOM 0 HB1 ALA A1032 -2.504 -0.064 -2.045 1.00 0.00 H new ATOM 0 HB2 ALA A1032 -1.161 1.053 -1.704 1.00 0.00 H new ATOM 0 HB3 ALA A1032 -1.776 0.883 -3.365 1.00 0.00 H new ATOM 1792 N LYS A1033 -1.228 -1.339 -4.946 1.00 0.00 N ATOM 1793 CA LYS A1033 -1.764 -2.166 -6.023 1.00 0.00 C ATOM 1794 C LYS A1033 -0.969 -3.457 -6.195 1.00 0.00 C ATOM 1795 O LYS A1033 -1.542 -4.548 -6.246 1.00 0.00 O ATOM 1796 CB LYS A1033 -1.787 -1.378 -7.340 1.00 0.00 C ATOM 1797 CG LYS A1033 -2.130 -2.216 -8.570 1.00 0.00 C ATOM 1798 CD LYS A1033 -3.514 -2.846 -8.476 1.00 0.00 C ATOM 1799 CE LYS A1033 -3.820 -3.687 -9.709 1.00 0.00 C ATOM 1800 NZ LYS A1033 -5.160 -4.329 -9.636 1.00 0.00 N ATOM 0 H LYS A1033 -0.919 -0.415 -5.247 1.00 0.00 H new ATOM 0 HA LYS A1033 -2.784 -2.439 -5.751 1.00 0.00 H new ATOM 0 HB2 LYS A1033 -2.512 -0.569 -7.253 1.00 0.00 H new ATOM 0 HB3 LYS A1033 -0.811 -0.916 -7.490 1.00 0.00 H new ATOM 0 HG2 LYS A1033 -2.079 -1.588 -9.460 1.00 0.00 H new ATOM 0 HG3 LYS A1033 -1.384 -3.001 -8.691 1.00 0.00 H new ATOM 0 HD2 LYS A1033 -3.573 -3.469 -7.584 1.00 0.00 H new ATOM 0 HD3 LYS A1033 -4.266 -2.064 -8.370 1.00 0.00 H new ATOM 0 HE2 LYS A1033 -3.769 -3.057 -10.597 1.00 0.00 H new ATOM 0 HE3 LYS A1033 -3.056 -4.457 -9.820 1.00 0.00 H new ATOM 0 HZ1 LYS A1033 -5.323 -4.890 -10.496 1.00 0.00 H new ATOM 0 HZ2 LYS A1033 -5.202 -4.951 -8.804 1.00 0.00 H new ATOM 0 HZ3 LYS A1033 -5.893 -3.595 -9.557 1.00 0.00 H new ATOM 1814 N ASN A1034 0.349 -3.342 -6.273 1.00 0.00 N ATOM 1815 CA ASN A1034 1.183 -4.506 -6.519 1.00 0.00 C ATOM 1816 C ASN A1034 1.046 -5.505 -5.382 1.00 0.00 C ATOM 1817 O ASN A1034 0.849 -6.687 -5.625 1.00 0.00 O ATOM 1818 CB ASN A1034 2.655 -4.124 -6.703 1.00 0.00 C ATOM 1819 CG ASN A1034 3.480 -5.287 -7.232 1.00 0.00 C ATOM 1820 OD1 ASN A1034 2.976 -6.145 -7.954 1.00 0.00 O ATOM 1821 ND2 ASN A1034 4.759 -5.318 -6.893 1.00 0.00 N ATOM 0 H ASN A1034 0.858 -2.464 -6.171 1.00 0.00 H new ATOM 0 HA ASN A1034 0.838 -4.963 -7.446 1.00 0.00 H new ATOM 0 HB2 ASN A1034 2.729 -3.283 -7.393 1.00 0.00 H new ATOM 0 HB3 ASN A1034 3.066 -3.791 -5.750 1.00 0.00 H new ATOM 0 HD21 ASN A1034 5.359 -6.070 -7.233 1.00 0.00 H new ATOM 0 HD22 ASN A1034 5.145 -4.590 -6.292 1.00 0.00 H new ATOM 1828 N LEU A1035 1.057 -5.017 -4.144 1.00 0.00 N ATOM 1829 CA LEU A1035 1.040 -5.911 -2.989 1.00 0.00 C ATOM 1830 C LEU A1035 -0.340 -6.537 -2.834 1.00 0.00 C ATOM 1831 O LEU A1035 -0.441 -7.706 -2.514 1.00 0.00 O ATOM 1832 CB LEU A1035 1.426 -5.190 -1.686 1.00 0.00 C ATOM 1833 CG LEU A1035 1.289 -6.049 -0.424 1.00 0.00 C ATOM 1834 CD1 LEU A1035 2.439 -7.037 -0.318 1.00 0.00 C ATOM 1835 CD2 LEU A1035 1.207 -5.183 0.817 1.00 0.00 C ATOM 0 H LEU A1035 1.077 -4.023 -3.916 1.00 0.00 H new ATOM 0 HA LEU A1035 1.784 -6.686 -3.172 1.00 0.00 H new ATOM 0 HB2 LEU A1035 2.457 -4.846 -1.767 1.00 0.00 H new ATOM 0 HB3 LEU A1035 0.802 -4.303 -1.577 1.00 0.00 H new ATOM 0 HG LEU A1035 0.360 -6.614 -0.501 1.00 0.00 H new ATOM 0 HD11 LEU A1035 2.322 -7.636 0.585 1.00 0.00 H new ATOM 0 HD12 LEU A1035 2.439 -7.691 -1.190 1.00 0.00 H new ATOM 0 HD13 LEU A1035 3.383 -6.493 -0.273 1.00 0.00 H new ATOM 0 HD21 LEU A1035 1.110 -5.818 1.698 1.00 0.00 H new ATOM 0 HD22 LEU A1035 2.112 -4.581 0.901 1.00 0.00 H new ATOM 0 HD23 LEU A1035 0.340 -4.526 0.746 1.00 0.00 H new ATOM 1847 N LEU A1036 -1.396 -5.766 -3.094 1.00 0.00 N ATOM 1848 CA LEU A1036 -2.761 -6.272 -2.982 1.00 0.00 C ATOM 1849 C LEU A1036 -2.982 -7.426 -3.940 1.00 0.00 C ATOM 1850 O LEU A1036 -3.889 -8.223 -3.757 1.00 0.00 O ATOM 1851 CB LEU A1036 -3.813 -5.152 -3.194 1.00 0.00 C ATOM 1852 CG LEU A1036 -4.002 -4.593 -4.613 1.00 0.00 C ATOM 1853 CD1 LEU A1036 -4.895 -5.495 -5.456 1.00 0.00 C ATOM 1854 CD2 LEU A1036 -4.596 -3.196 -4.542 1.00 0.00 C ATOM 0 H LEU A1036 -1.331 -4.790 -3.383 1.00 0.00 H new ATOM 0 HA LEU A1036 -2.894 -6.642 -1.965 1.00 0.00 H new ATOM 0 HB2 LEU A1036 -4.777 -5.532 -2.855 1.00 0.00 H new ATOM 0 HB3 LEU A1036 -3.550 -4.320 -2.541 1.00 0.00 H new ATOM 0 HG LEU A1036 -3.023 -4.551 -5.091 1.00 0.00 H new ATOM 0 HD11 LEU A1036 -5.006 -5.068 -6.453 1.00 0.00 H new ATOM 0 HD12 LEU A1036 -4.444 -6.484 -5.533 1.00 0.00 H new ATOM 0 HD13 LEU A1036 -5.875 -5.579 -4.986 1.00 0.00 H new ATOM 0 HD21 LEU A1036 -4.728 -2.805 -5.551 1.00 0.00 H new ATOM 0 HD22 LEU A1036 -5.562 -3.237 -4.040 1.00 0.00 H new ATOM 0 HD23 LEU A1036 -3.924 -2.543 -3.985 1.00 0.00 H new ATOM 1866 N ASP A1037 -2.127 -7.517 -4.945 1.00 0.00 N ATOM 1867 CA ASP A1037 -2.168 -8.624 -5.883 1.00 0.00 C ATOM 1868 C ASP A1037 -1.120 -9.646 -5.473 1.00 0.00 C ATOM 1869 O ASP A1037 -1.304 -10.843 -5.632 1.00 0.00 O ATOM 1870 CB ASP A1037 -1.913 -8.137 -7.310 1.00 0.00 C ATOM 1871 CG ASP A1037 -2.454 -9.095 -8.352 1.00 0.00 C ATOM 1872 OD1 ASP A1037 -1.780 -10.095 -8.662 1.00 0.00 O ATOM 1873 OD2 ASP A1037 -3.566 -8.845 -8.870 1.00 0.00 O ATOM 0 H ASP A1037 -1.393 -6.834 -5.132 1.00 0.00 H new ATOM 0 HA ASP A1037 -3.157 -9.081 -5.864 1.00 0.00 H new ATOM 0 HB2 ASP A1037 -2.374 -7.159 -7.445 1.00 0.00 H new ATOM 0 HB3 ASP A1037 -0.841 -8.007 -7.461 1.00 0.00 H new ATOM 1878 N VAL A1038 -0.018 -9.134 -4.937 1.00 0.00 N ATOM 1879 CA VAL A1038 1.035 -9.946 -4.327 1.00 0.00 C ATOM 1880 C VAL A1038 0.482 -10.889 -3.267 1.00 0.00 C ATOM 1881 O VAL A1038 0.656 -12.097 -3.348 1.00 0.00 O ATOM 1882 CB VAL A1038 2.095 -9.046 -3.657 1.00 0.00 C ATOM 1883 CG1 VAL A1038 2.951 -9.829 -2.673 1.00 0.00 C ATOM 1884 CG2 VAL A1038 2.964 -8.381 -4.703 1.00 0.00 C ATOM 0 H VAL A1038 0.174 -8.133 -4.912 1.00 0.00 H new ATOM 0 HA VAL A1038 1.482 -10.531 -5.131 1.00 0.00 H new ATOM 0 HB VAL A1038 1.568 -8.274 -3.097 1.00 0.00 H new ATOM 0 HG11 VAL A1038 3.686 -9.164 -2.220 1.00 0.00 H new ATOM 0 HG12 VAL A1038 2.316 -10.251 -1.894 1.00 0.00 H new ATOM 0 HG13 VAL A1038 3.465 -10.634 -3.198 1.00 0.00 H new ATOM 0 HG21 VAL A1038 3.706 -7.750 -4.213 1.00 0.00 H new ATOM 0 HG22 VAL A1038 3.470 -9.144 -5.294 1.00 0.00 H new ATOM 0 HG23 VAL A1038 2.343 -7.769 -5.357 1.00 0.00 H new ATOM 1894 N ILE A1039 -0.152 -10.316 -2.261 1.00 0.00 N ATOM 1895 CA ILE A1039 -0.680 -11.080 -1.150 1.00 0.00 C ATOM 1896 C ILE A1039 -2.049 -11.670 -1.470 1.00 0.00 C ATOM 1897 O ILE A1039 -2.456 -12.660 -0.862 1.00 0.00 O ATOM 1898 CB ILE A1039 -0.713 -10.275 0.173 1.00 0.00 C ATOM 1899 CG1 ILE A1039 -1.205 -8.846 -0.026 1.00 0.00 C ATOM 1900 CG2 ILE A1039 0.670 -10.249 0.788 1.00 0.00 C ATOM 1901 CD1 ILE A1039 -2.579 -8.739 -0.628 1.00 0.00 C ATOM 0 H ILE A1039 -0.314 -9.311 -2.192 1.00 0.00 H new ATOM 0 HA ILE A1039 0.014 -11.906 -0.996 1.00 0.00 H new ATOM 0 HB ILE A1039 -1.417 -10.775 0.838 1.00 0.00 H new ATOM 0 HG12 ILE A1039 -1.203 -8.337 0.938 1.00 0.00 H new ATOM 0 HG13 ILE A1039 -0.499 -8.318 -0.667 1.00 0.00 H new ATOM 0 HG21 ILE A1039 0.644 -9.682 1.719 1.00 0.00 H new ATOM 0 HG22 ILE A1039 0.996 -11.269 0.993 1.00 0.00 H new ATOM 0 HG23 ILE A1039 1.367 -9.778 0.095 1.00 0.00 H new ATOM 0 HD11 ILE A1039 -2.849 -7.688 -0.734 1.00 0.00 H new ATOM 0 HD12 ILE A1039 -2.585 -9.216 -1.608 1.00 0.00 H new ATOM 0 HD13 ILE A1039 -3.300 -9.235 0.021 1.00 0.00 H new ATOM 1913 N ASP A1040 -2.778 -11.061 -2.405 1.00 0.00 N ATOM 1914 CA ASP A1040 -3.909 -11.768 -2.996 1.00 0.00 C ATOM 1915 C ASP A1040 -3.385 -13.048 -3.612 1.00 0.00 C ATOM 1916 O ASP A1040 -3.958 -14.123 -3.461 1.00 0.00 O ATOM 1917 CB ASP A1040 -4.629 -10.942 -4.062 1.00 0.00 C ATOM 1918 CG ASP A1040 -5.618 -11.769 -4.866 1.00 0.00 C ATOM 1919 OD1 ASP A1040 -6.455 -12.462 -4.255 1.00 0.00 O ATOM 1920 OD2 ASP A1040 -5.543 -11.741 -6.117 1.00 0.00 O ATOM 0 H ASP A1040 -2.615 -10.118 -2.757 1.00 0.00 H new ATOM 0 HA ASP A1040 -4.639 -11.969 -2.212 1.00 0.00 H new ATOM 0 HB2 ASP A1040 -5.155 -10.116 -3.584 1.00 0.00 H new ATOM 0 HB3 ASP A1040 -3.893 -10.504 -4.736 1.00 0.00 H new ATOM 1925 N GLN A1041 -2.252 -12.934 -4.273 1.00 0.00 N ATOM 1926 CA GLN A1041 -1.568 -14.105 -4.768 1.00 0.00 C ATOM 1927 C GLN A1041 -1.033 -14.914 -3.612 1.00 0.00 C ATOM 1928 O GLN A1041 -1.033 -16.111 -3.693 1.00 0.00 O ATOM 1929 CB GLN A1041 -0.431 -13.772 -5.725 1.00 0.00 C ATOM 1930 CG GLN A1041 -0.885 -13.527 -7.152 1.00 0.00 C ATOM 1931 CD GLN A1041 0.257 -13.128 -8.056 1.00 0.00 C ATOM 1932 OE1 GLN A1041 0.920 -13.977 -8.657 1.00 0.00 O ATOM 1933 NE2 GLN A1041 0.482 -11.834 -8.174 1.00 0.00 N ATOM 0 H GLN A1041 -1.790 -12.048 -4.478 1.00 0.00 H new ATOM 0 HA GLN A1041 -2.302 -14.683 -5.330 1.00 0.00 H new ATOM 0 HB2 GLN A1041 0.090 -12.886 -5.362 1.00 0.00 H new ATOM 0 HB3 GLN A1041 0.289 -14.590 -5.718 1.00 0.00 H new ATOM 0 HG2 GLN A1041 -1.355 -14.430 -7.541 1.00 0.00 H new ATOM 0 HG3 GLN A1041 -1.643 -12.744 -7.160 1.00 0.00 H new ATOM 0 HE21 GLN A1041 -0.092 -11.167 -7.658 1.00 0.00 H new ATOM 0 HE22 GLN A1041 1.230 -11.500 -8.782 1.00 0.00 H new ATOM 1942 N ALA A1042 -0.600 -14.254 -2.535 1.00 0.00 N ATOM 1943 CA ALA A1042 -0.097 -14.946 -1.346 1.00 0.00 C ATOM 1944 C ALA A1042 -1.092 -15.982 -0.860 1.00 0.00 C ATOM 1945 O ALA A1042 -0.745 -17.143 -0.656 1.00 0.00 O ATOM 1946 CB ALA A1042 0.196 -13.967 -0.224 1.00 0.00 C ATOM 0 H ALA A1042 -0.588 -13.237 -2.462 1.00 0.00 H new ATOM 0 HA ALA A1042 0.829 -15.445 -1.631 1.00 0.00 H new ATOM 0 HB1 ALA A1042 0.568 -14.510 0.645 1.00 0.00 H new ATOM 0 HB2 ALA A1042 0.949 -13.251 -0.553 1.00 0.00 H new ATOM 0 HB3 ALA A1042 -0.718 -13.436 0.044 1.00 0.00 H new ATOM 1952 N ARG A1043 -2.329 -15.551 -0.684 1.00 0.00 N ATOM 1953 CA ARG A1043 -3.428 -16.461 -0.385 1.00 0.00 C ATOM 1954 C ARG A1043 -3.400 -17.668 -1.341 1.00 0.00 C ATOM 1955 O ARG A1043 -3.583 -18.818 -0.929 1.00 0.00 O ATOM 1956 CB ARG A1043 -4.762 -15.676 -0.449 1.00 0.00 C ATOM 1957 CG ARG A1043 -5.901 -16.325 -1.238 1.00 0.00 C ATOM 1958 CD ARG A1043 -5.790 -16.051 -2.723 1.00 0.00 C ATOM 1959 NE ARG A1043 -6.892 -16.612 -3.498 1.00 0.00 N ATOM 1960 CZ ARG A1043 -7.057 -16.372 -4.799 1.00 0.00 C ATOM 1961 NH1 ARG A1043 -6.215 -15.558 -5.428 1.00 0.00 N ATOM 1962 NH2 ARG A1043 -8.074 -16.905 -5.461 1.00 0.00 N ATOM 0 H ARG A1043 -2.602 -14.570 -0.743 1.00 0.00 H new ATOM 0 HA ARG A1043 -3.325 -16.864 0.622 1.00 0.00 H new ATOM 0 HB2 ARG A1043 -5.107 -15.507 0.571 1.00 0.00 H new ATOM 0 HB3 ARG A1043 -4.561 -14.697 -0.884 1.00 0.00 H new ATOM 0 HG2 ARG A1043 -5.894 -17.401 -1.066 1.00 0.00 H new ATOM 0 HG3 ARG A1043 -6.856 -15.950 -0.871 1.00 0.00 H new ATOM 0 HD2 ARG A1043 -5.753 -14.974 -2.885 1.00 0.00 H new ATOM 0 HD3 ARG A1043 -4.850 -16.461 -3.092 1.00 0.00 H new ATOM 0 HE ARG A1043 -7.565 -17.214 -3.024 1.00 0.00 H new ATOM 0 HH11 ARG A1043 -5.449 -15.122 -4.915 1.00 0.00 H new ATOM 0 HH12 ARG A1043 -6.335 -15.370 -6.423 1.00 0.00 H new ATOM 0 HH21 ARG A1043 -8.740 -17.506 -4.975 1.00 0.00 H new ATOM 0 HH22 ARG A1043 -8.191 -16.715 -6.456 1.00 0.00 H new ATOM 1976 N LEU A1044 -3.127 -17.393 -2.607 1.00 0.00 N ATOM 1977 CA LEU A1044 -3.047 -18.429 -3.627 1.00 0.00 C ATOM 1978 C LEU A1044 -1.703 -19.151 -3.603 1.00 0.00 C ATOM 1979 O LEU A1044 -1.614 -20.287 -4.032 1.00 0.00 O ATOM 1980 CB LEU A1044 -3.270 -17.810 -4.996 1.00 0.00 C ATOM 1981 CG LEU A1044 -3.467 -18.796 -6.147 1.00 0.00 C ATOM 1982 CD1 LEU A1044 -4.702 -19.653 -5.914 1.00 0.00 C ATOM 1983 CD2 LEU A1044 -3.574 -18.045 -7.465 1.00 0.00 C ATOM 0 H LEU A1044 -2.955 -16.450 -2.956 1.00 0.00 H new ATOM 0 HA LEU A1044 -3.822 -19.166 -3.416 1.00 0.00 H new ATOM 0 HB2 LEU A1044 -4.145 -17.163 -4.943 1.00 0.00 H new ATOM 0 HB3 LEU A1044 -2.417 -17.174 -5.230 1.00 0.00 H new ATOM 0 HG LEU A1044 -2.602 -19.457 -6.192 1.00 0.00 H new ATOM 0 HD11 LEU A1044 -4.824 -20.348 -6.745 1.00 0.00 H new ATOM 0 HD12 LEU A1044 -4.586 -20.213 -4.986 1.00 0.00 H new ATOM 0 HD13 LEU A1044 -5.581 -19.013 -5.844 1.00 0.00 H new ATOM 0 HD21 LEU A1044 -3.714 -18.756 -8.279 1.00 0.00 H new ATOM 0 HD22 LEU A1044 -4.424 -17.364 -7.428 1.00 0.00 H new ATOM 0 HD23 LEU A1044 -2.660 -17.475 -7.634 1.00 0.00 H new ATOM 1995 N LYS A1045 -0.664 -18.474 -3.132 1.00 0.00 N ATOM 1996 CA LYS A1045 0.674 -19.047 -3.059 1.00 0.00 C ATOM 1997 C LYS A1045 0.664 -20.204 -2.094 1.00 0.00 C ATOM 1998 O LYS A1045 1.293 -21.236 -2.324 1.00 0.00 O ATOM 1999 CB LYS A1045 1.706 -18.021 -2.572 1.00 0.00 C ATOM 2000 CG LYS A1045 1.749 -16.711 -3.337 1.00 0.00 C ATOM 2001 CD LYS A1045 1.769 -16.899 -4.849 1.00 0.00 C ATOM 2002 CE LYS A1045 3.041 -17.567 -5.325 1.00 0.00 C ATOM 2003 NZ LYS A1045 3.125 -17.594 -6.810 1.00 0.00 N ATOM 0 H LYS A1045 -0.724 -17.515 -2.791 1.00 0.00 H new ATOM 0 HA LYS A1045 0.953 -19.372 -4.062 1.00 0.00 H new ATOM 0 HB2 LYS A1045 1.504 -17.801 -1.524 1.00 0.00 H new ATOM 0 HB3 LYS A1045 2.694 -18.479 -2.617 1.00 0.00 H new ATOM 0 HG2 LYS A1045 0.882 -16.110 -3.064 1.00 0.00 H new ATOM 0 HG3 LYS A1045 2.634 -16.150 -3.035 1.00 0.00 H new ATOM 0 HD2 LYS A1045 0.911 -17.499 -5.150 1.00 0.00 H new ATOM 0 HD3 LYS A1045 1.666 -15.929 -5.335 1.00 0.00 H new ATOM 0 HE2 LYS A1045 3.904 -17.037 -4.921 1.00 0.00 H new ATOM 0 HE3 LYS A1045 3.084 -18.586 -4.939 1.00 0.00 H new ATOM 0 HZ1 LYS A1045 4.009 -18.059 -7.099 1.00 0.00 H new ATOM 0 HZ2 LYS A1045 2.315 -18.121 -7.194 1.00 0.00 H new ATOM 0 HZ3 LYS A1045 3.110 -16.621 -7.176 1.00 0.00 H new ATOM 2017 N MET A1046 -0.060 -20.015 -1.007 1.00 0.00 N ATOM 2018 CA MET A1046 -0.217 -21.063 -0.024 1.00 0.00 C ATOM 2019 C MET A1046 -0.940 -22.236 -0.672 1.00 0.00 C ATOM 2020 O MET A1046 -0.544 -23.387 -0.500 1.00 0.00 O ATOM 2021 CB MET A1046 -0.982 -20.537 1.191 1.00 0.00 C ATOM 2022 CG MET A1046 -0.913 -21.446 2.413 1.00 0.00 C ATOM 2023 SD MET A1046 -1.974 -22.900 2.292 1.00 0.00 S ATOM 2024 CE MET A1046 -3.593 -22.135 2.242 1.00 0.00 C ATOM 0 H MET A1046 -0.547 -19.146 -0.785 1.00 0.00 H new ATOM 0 HA MET A1046 0.759 -21.399 0.326 1.00 0.00 H new ATOM 0 HB2 MET A1046 -0.588 -19.557 1.458 1.00 0.00 H new ATOM 0 HB3 MET A1046 -2.027 -20.396 0.915 1.00 0.00 H new ATOM 0 HG2 MET A1046 0.118 -21.770 2.557 1.00 0.00 H new ATOM 0 HG3 MET A1046 -1.194 -20.874 3.297 1.00 0.00 H new ATOM 0 HE1 MET A1046 -4.340 -22.840 2.607 1.00 0.00 H new ATOM 0 HE2 MET A1046 -3.595 -21.246 2.873 1.00 0.00 H new ATOM 0 HE3 MET A1046 -3.831 -21.853 1.216 1.00 0.00 H new ATOM 2034 N ILE A1047 -1.981 -21.931 -1.447 1.00 0.00 N ATOM 2035 CA ILE A1047 -2.675 -22.951 -2.225 1.00 0.00 C ATOM 2036 C ILE A1047 -1.734 -23.577 -3.257 1.00 0.00 C ATOM 2037 O ILE A1047 -1.709 -24.790 -3.425 1.00 0.00 O ATOM 2038 CB ILE A1047 -3.918 -22.377 -2.942 1.00 0.00 C ATOM 2039 CG1 ILE A1047 -4.944 -21.895 -1.917 1.00 0.00 C ATOM 2040 CG2 ILE A1047 -4.542 -23.412 -3.872 1.00 0.00 C ATOM 2041 CD1 ILE A1047 -5.419 -22.981 -0.971 1.00 0.00 C ATOM 0 H ILE A1047 -2.359 -20.989 -1.551 1.00 0.00 H new ATOM 0 HA ILE A1047 -3.007 -23.717 -1.525 1.00 0.00 H new ATOM 0 HB ILE A1047 -3.599 -21.529 -3.548 1.00 0.00 H new ATOM 0 HG12 ILE A1047 -4.508 -21.083 -1.334 1.00 0.00 H new ATOM 0 HG13 ILE A1047 -5.805 -21.483 -2.444 1.00 0.00 H new ATOM 0 HG21 ILE A1047 -5.414 -22.981 -4.363 1.00 0.00 H new ATOM 0 HG22 ILE A1047 -3.813 -23.711 -4.625 1.00 0.00 H new ATOM 0 HG23 ILE A1047 -4.845 -24.285 -3.294 1.00 0.00 H new ATOM 0 HD11 ILE A1047 -6.145 -22.564 -0.273 1.00 0.00 H new ATOM 0 HD12 ILE A1047 -5.885 -23.783 -1.543 1.00 0.00 H new ATOM 0 HD13 ILE A1047 -4.569 -23.378 -0.416 1.00 0.00 H new ATOM 2053 N SER A1048 -0.964 -22.732 -3.938 1.00 0.00 N ATOM 2054 CA SER A1048 0.020 -23.182 -4.924 1.00 0.00 C ATOM 2055 C SER A1048 0.886 -24.321 -4.377 1.00 0.00 C ATOM 2056 O SER A1048 1.102 -25.326 -5.059 1.00 0.00 O ATOM 2057 CB SER A1048 0.908 -22.009 -5.355 1.00 0.00 C ATOM 2058 OG SER A1048 0.139 -20.972 -5.948 1.00 0.00 O ATOM 0 H SER A1048 -1.003 -21.719 -3.824 1.00 0.00 H new ATOM 0 HA SER A1048 -0.525 -23.561 -5.788 1.00 0.00 H new ATOM 0 HB2 SER A1048 1.444 -21.618 -4.490 1.00 0.00 H new ATOM 0 HB3 SER A1048 1.659 -22.359 -6.064 1.00 0.00 H new ATOM 0 HG SER A1048 -0.471 -20.594 -5.280 1.00 0.00 H new ATOM 2064 N GLN A1049 1.359 -24.173 -3.144 1.00 0.00 N ATOM 2065 CA GLN A1049 2.189 -25.197 -2.520 1.00 0.00 C ATOM 2066 C GLN A1049 1.339 -26.259 -1.820 1.00 0.00 C ATOM 2067 O GLN A1049 1.426 -27.445 -2.134 1.00 0.00 O ATOM 2068 CB GLN A1049 3.156 -24.572 -1.508 1.00 0.00 C ATOM 2069 CG GLN A1049 4.003 -25.603 -0.769 1.00 0.00 C ATOM 2070 CD GLN A1049 4.787 -25.008 0.380 1.00 0.00 C ATOM 2071 OE1 GLN A1049 4.291 -24.930 1.505 1.00 0.00 O ATOM 2072 NE2 GLN A1049 6.016 -24.604 0.119 1.00 0.00 N ATOM 0 H GLN A1049 1.183 -23.357 -2.559 1.00 0.00 H new ATOM 0 HA GLN A1049 2.759 -25.677 -3.316 1.00 0.00 H new ATOM 0 HB2 GLN A1049 3.814 -23.875 -2.027 1.00 0.00 H new ATOM 0 HB3 GLN A1049 2.587 -23.992 -0.782 1.00 0.00 H new ATOM 0 HG2 GLN A1049 3.355 -26.393 -0.389 1.00 0.00 H new ATOM 0 HG3 GLN A1049 4.695 -26.068 -1.471 1.00 0.00 H new ATOM 0 HE21 GLN A1049 6.390 -24.686 -0.827 1.00 0.00 H new ATOM 0 HE22 GLN A1049 6.592 -24.210 0.863 1.00 0.00 H new