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: A1041 GLN : amide:sc= 1.02 K(o=3.4,f=-6.4!) USER MOD Set 1.2: A1045 LYS NZ :NH3+ -147:sc= 2.4 (180deg=1.22) USER MOD Set 2.1: A 951 TYR OH : rot 180:sc= 0.963 USER MOD Set 2.2: A1018 LYS NZ :NH3+ 166:sc= 1.1 (180deg=-0.283) USER MOD Set 3.1: A 954 MET CE :methyl -173:sc= -1.48 (180deg=-1.09) USER MOD Set 3.2: A1021 MET CE :methyl 168:sc= -3.39! (180deg=-3.86!) USER MOD Set 4.1: A 928 ASN : amide:sc= -1.7! C(o=-0.34!,f=-9.9!) USER MOD Set 4.2: A 964 THR OG1 : rot -75:sc= 1.36 USER MOD Single : A 921 SER OG : rot 180:sc=0.000424 USER MOD Single : A 922 ASN : amide:sc= 0.818 K(o=0.82,f=-0.6) USER MOD Single : A 924 LYS NZ :NH3+ 161:sc= -0.0697 (180deg=-0.379) USER MOD Single : A 926 TYR OH : rot 180:sc= 0 USER MOD Single : A 930 THR OG1 : rot 20:sc= 1.22 USER MOD Single : A 934 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 939 MET CE :methyl -119:sc= -7.66! (180deg=-9!) USER MOD Single : A 940 SER OG : rot 180:sc= 0 USER MOD Single : A 941 SER OG : rot 67:sc= 0.363 USER MOD Single : A 942 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 944 GLN : amide:sc= -0.665 X(o=-0.67,f=-0.75) USER MOD Single : A 956 LYS NZ :NH3+ -146:sc= 1.3 (180deg=-0.201) USER MOD Single : A 968 THR OG1 : rot -125:sc= -1.71! USER MOD Single : A 972 SER OG : rot -80:sc= -2.72! USER MOD Single : A 979 SER OG : rot 14:sc= -0.243 USER MOD Single : A 980 THR OG1 : rot 178:sc= -1.99 USER MOD Single : A 981 HIS : no HE2:sc= 0.914 K(o=0.91,f=-3.2!) USER MOD Single : A 986 MET CE :methyl -104:sc= -1.43 (180deg=-2.91!) USER MOD Single : A 988 GLN :FLIP amide:sc= -0.189 F(o=-2.3,f=-0.19) USER MOD Single : A 989 LYS NZ :NH3+ -165:sc= -0.049 (180deg=-0.387) USER MOD Single : A 992 ASN : amide:sc= 0 X(o=0,f=-0.0076) USER MOD Single : A 993 SER OG : rot -100:sc= 1.28 USER MOD Single : A1000 ASN : amide:sc= 0.763 K(o=0.76,f=-0.077) USER MOD Single : A1001 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1002 MET CE :methyl -147:sc= 0 (180deg=-1) USER MOD Single : A1003 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0608) USER MOD Single : A1006 GLN : amide:sc= -1.25 K(o=-1.3,f=-3.7!) USER MOD Single : A1007 GLN : amide:sc= -0.366 X(o=-0.37,f=-0.31) USER MOD Single : A1008 TYR OH : rot 180:sc= 0 USER MOD Single : A1014 GLN : amide:sc= -4.31! C(o=-4.3!,f=-5.6!) USER MOD Single : A1015 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1017 TYR OH : rot 180:sc= 0 USER MOD Single : A1019 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1020 GLN : amide:sc= 0.207 X(o=0.21,f=0) USER MOD Single : A1023 THR OG1 : rot 74:sc= 1.25 USER MOD Single : A1026 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A1033 LYS NZ :NH3+ -166:sc= -0.0578 (180deg=-0.293) USER MOD Single : A1034 ASN :FLIP amide:sc= -1.48 F(o=-2.2,f=-1.5) USER MOD Single : A1046 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A1048 SER OG : rot 180:sc= 0 USER MOD Single : A1049 GLN : amide:sc= -0.0247 K(o=-0.025,f=-0.58) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 920 -8.456 -19.527 -2.339 1.00 0.00 N ATOM 2 CA ARG A 920 -8.375 -18.447 -1.362 1.00 0.00 C ATOM 3 C ARG A 920 -9.604 -17.545 -1.427 1.00 0.00 C ATOM 4 O ARG A 920 -10.337 -17.528 -2.418 1.00 0.00 O ATOM 5 CB ARG A 920 -7.124 -17.590 -1.553 1.00 0.00 C ATOM 6 CG ARG A 920 -7.230 -16.605 -2.697 1.00 0.00 C ATOM 7 CD ARG A 920 -7.056 -17.306 -4.029 1.00 0.00 C ATOM 8 NE ARG A 920 -7.382 -16.447 -5.177 1.00 0.00 N ATOM 9 CZ ARG A 920 -6.716 -15.343 -5.526 1.00 0.00 C ATOM 10 NH1 ARG A 920 -5.677 -14.928 -4.825 1.00 0.00 N ATOM 11 NH2 ARG A 920 -7.097 -14.641 -6.583 1.00 0.00 N ATOM 0 HA ARG A 920 -8.325 -18.927 -0.385 1.00 0.00 H new ATOM 0 HB2 ARG A 920 -6.925 -17.043 -0.631 1.00 0.00 H new ATOM 0 HB3 ARG A 920 -6.269 -18.244 -1.726 1.00 0.00 H new ATOM 0 HG2 ARG A 920 -8.200 -16.108 -2.666 1.00 0.00 H new ATOM 0 HG3 ARG A 920 -6.471 -15.830 -2.587 1.00 0.00 H new ATOM 0 HD2 ARG A 920 -6.026 -17.650 -4.121 1.00 0.00 H new ATOM 0 HD3 ARG A 920 -7.691 -18.192 -4.053 1.00 0.00 H new ATOM 0 HE ARG A 920 -8.180 -16.715 -5.753 1.00 0.00 H new ATOM 0 HH11 ARG A 920 -5.373 -15.452 -4.005 1.00 0.00 H new ATOM 0 HH12 ARG A 920 -5.178 -14.083 -5.104 1.00 0.00 H new ATOM 0 HH21 ARG A 920 -7.901 -14.943 -7.133 1.00 0.00 H new ATOM 0 HH22 ARG A 920 -6.586 -13.798 -6.847 1.00 0.00 H new ATOM 25 N SER A 921 -9.794 -16.778 -0.373 1.00 0.00 N ATOM 26 CA SER A 921 -10.902 -15.850 -0.273 1.00 0.00 C ATOM 27 C SER A 921 -10.388 -14.416 -0.301 1.00 0.00 C ATOM 28 O SER A 921 -11.092 -13.485 0.094 1.00 0.00 O ATOM 29 CB SER A 921 -11.650 -16.127 1.025 1.00 0.00 C ATOM 30 OG SER A 921 -10.744 -16.198 2.121 1.00 0.00 O ATOM 0 H SER A 921 -9.181 -16.781 0.442 1.00 0.00 H new ATOM 0 HA SER A 921 -11.578 -15.981 -1.118 1.00 0.00 H new ATOM 0 HB2 SER A 921 -12.383 -15.341 1.203 1.00 0.00 H new ATOM 0 HB3 SER A 921 -12.201 -17.064 0.941 1.00 0.00 H new ATOM 0 HG SER A 921 -11.242 -16.375 2.946 1.00 0.00 H new ATOM 36 N ASN A 922 -9.156 -14.259 -0.803 1.00 0.00 N ATOM 37 CA ASN A 922 -8.449 -12.973 -0.797 1.00 0.00 C ATOM 38 C ASN A 922 -8.486 -12.389 0.580 1.00 0.00 C ATOM 39 O ASN A 922 -8.869 -11.232 0.758 1.00 0.00 O ATOM 40 CB ASN A 922 -9.040 -11.955 -1.760 1.00 0.00 C ATOM 41 CG ASN A 922 -9.904 -12.576 -2.841 1.00 0.00 C ATOM 42 OD1 ASN A 922 -11.131 -12.641 -2.732 1.00 0.00 O ATOM 43 ND2 ASN A 922 -9.260 -13.053 -3.886 1.00 0.00 N ATOM 0 H ASN A 922 -8.622 -15.020 -1.224 1.00 0.00 H new ATOM 0 HA ASN A 922 -7.429 -13.182 -1.120 1.00 0.00 H new ATOM 0 HB2 ASN A 922 -9.636 -11.237 -1.197 1.00 0.00 H new ATOM 0 HB3 ASN A 922 -8.230 -11.397 -2.229 1.00 0.00 H new ATOM 0 HD21 ASN A 922 -9.777 -13.497 -4.645 1.00 0.00 H new ATOM 0 HD22 ASN A 922 -8.244 -12.979 -3.937 1.00 0.00 H new ATOM 50 N ASP A 923 -8.033 -13.207 1.515 1.00 0.00 N ATOM 51 CA ASP A 923 -8.074 -12.938 2.950 1.00 0.00 C ATOM 52 C ASP A 923 -7.572 -11.529 3.292 1.00 0.00 C ATOM 53 O ASP A 923 -7.300 -10.720 2.419 1.00 0.00 O ATOM 54 CB ASP A 923 -7.236 -14.014 3.663 1.00 0.00 C ATOM 55 CG ASP A 923 -7.351 -14.000 5.175 1.00 0.00 C ATOM 56 OD1 ASP A 923 -8.424 -14.348 5.702 1.00 0.00 O ATOM 57 OD2 ASP A 923 -6.351 -13.657 5.842 1.00 0.00 O ATOM 0 H ASP A 923 -7.611 -14.109 1.292 1.00 0.00 H new ATOM 0 HA ASP A 923 -9.109 -12.978 3.291 1.00 0.00 H new ATOM 0 HB2 ASP A 923 -7.540 -14.995 3.297 1.00 0.00 H new ATOM 0 HB3 ASP A 923 -6.189 -13.882 3.389 1.00 0.00 H new ATOM 62 N LYS A 924 -7.489 -11.248 4.573 1.00 0.00 N ATOM 63 CA LYS A 924 -7.004 -9.962 5.113 1.00 0.00 C ATOM 64 C LYS A 924 -5.864 -9.365 4.254 1.00 0.00 C ATOM 65 O LYS A 924 -5.642 -8.154 4.247 1.00 0.00 O ATOM 66 CB LYS A 924 -6.523 -10.197 6.554 1.00 0.00 C ATOM 67 CG LYS A 924 -6.760 -9.038 7.516 1.00 0.00 C ATOM 68 CD LYS A 924 -5.885 -7.845 7.193 1.00 0.00 C ATOM 69 CE LYS A 924 -5.957 -6.778 8.268 1.00 0.00 C ATOM 70 NZ LYS A 924 -5.437 -7.269 9.573 1.00 0.00 N ATOM 0 H LYS A 924 -7.759 -11.911 5.299 1.00 0.00 H new ATOM 0 HA LYS A 924 -7.820 -9.240 5.094 1.00 0.00 H new ATOM 0 HB2 LYS A 924 -7.023 -11.082 6.947 1.00 0.00 H new ATOM 0 HB3 LYS A 924 -5.456 -10.417 6.532 1.00 0.00 H new ATOM 0 HG2 LYS A 924 -7.808 -8.741 7.475 1.00 0.00 H new ATOM 0 HG3 LYS A 924 -6.562 -9.367 8.536 1.00 0.00 H new ATOM 0 HD2 LYS A 924 -4.852 -8.174 7.078 1.00 0.00 H new ATOM 0 HD3 LYS A 924 -6.192 -7.418 6.238 1.00 0.00 H new ATOM 0 HE2 LYS A 924 -5.383 -5.906 7.953 1.00 0.00 H new ATOM 0 HE3 LYS A 924 -6.990 -6.453 8.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 924 -5.201 -6.458 10.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 924 -6.162 -7.850 10.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 924 -4.584 -7.842 9.413 1.00 0.00 H new ATOM 84 N VAL A 925 -5.166 -10.232 3.525 1.00 0.00 N ATOM 85 CA VAL A 925 -4.139 -9.824 2.592 1.00 0.00 C ATOM 86 C VAL A 925 -4.679 -8.894 1.505 1.00 0.00 C ATOM 87 O VAL A 925 -4.170 -7.794 1.349 1.00 0.00 O ATOM 88 CB VAL A 925 -3.466 -11.047 1.934 1.00 0.00 C ATOM 89 CG1 VAL A 925 -2.501 -11.709 2.905 1.00 0.00 C ATOM 90 CG2 VAL A 925 -4.507 -12.052 1.460 1.00 0.00 C ATOM 0 H VAL A 925 -5.304 -11.242 3.571 1.00 0.00 H new ATOM 0 HA VAL A 925 -3.399 -9.274 3.173 1.00 0.00 H new ATOM 0 HB VAL A 925 -2.907 -10.698 1.066 1.00 0.00 H new ATOM 0 HG11 VAL A 925 -2.035 -12.570 2.425 1.00 0.00 H new ATOM 0 HG12 VAL A 925 -1.731 -10.995 3.196 1.00 0.00 H new ATOM 0 HG13 VAL A 925 -3.044 -12.038 3.791 1.00 0.00 H new ATOM 0 HG21 VAL A 925 -4.007 -12.904 1.000 1.00 0.00 H new ATOM 0 HG22 VAL A 925 -5.097 -12.393 2.311 1.00 0.00 H new ATOM 0 HG23 VAL A 925 -5.163 -11.579 0.729 1.00 0.00 H new ATOM 100 N TYR A 926 -5.750 -9.282 0.808 1.00 0.00 N ATOM 101 CA TYR A 926 -6.267 -8.459 -0.278 1.00 0.00 C ATOM 102 C TYR A 926 -7.044 -7.285 0.315 1.00 0.00 C ATOM 103 O TYR A 926 -7.245 -6.248 -0.316 1.00 0.00 O ATOM 104 CB TYR A 926 -7.157 -9.308 -1.183 1.00 0.00 C ATOM 105 CG TYR A 926 -7.830 -8.545 -2.298 1.00 0.00 C ATOM 106 CD1 TYR A 926 -7.110 -8.102 -3.397 1.00 0.00 C ATOM 107 CD2 TYR A 926 -9.190 -8.275 -2.246 1.00 0.00 C ATOM 108 CE1 TYR A 926 -7.727 -7.410 -4.417 1.00 0.00 C ATOM 109 CE2 TYR A 926 -9.816 -7.582 -3.263 1.00 0.00 C ATOM 110 CZ TYR A 926 -9.079 -7.150 -4.344 1.00 0.00 C ATOM 111 OH TYR A 926 -9.694 -6.460 -5.361 1.00 0.00 O ATOM 0 H TYR A 926 -6.266 -10.146 0.975 1.00 0.00 H new ATOM 0 HA TYR A 926 -5.447 -8.067 -0.880 1.00 0.00 H new ATOM 0 HB2 TYR A 926 -6.555 -10.105 -1.618 1.00 0.00 H new ATOM 0 HB3 TYR A 926 -7.924 -9.785 -0.572 1.00 0.00 H new ATOM 0 HD1 TYR A 926 -6.050 -8.302 -3.455 1.00 0.00 H new ATOM 0 HD2 TYR A 926 -9.767 -8.612 -1.398 1.00 0.00 H new ATOM 0 HE1 TYR A 926 -7.155 -7.073 -5.269 1.00 0.00 H new ATOM 0 HE2 TYR A 926 -10.876 -7.380 -3.212 1.00 0.00 H new ATOM 0 HH TYR A 926 -10.648 -6.360 -5.159 1.00 0.00 H new ATOM 121 N GLU A 927 -7.465 -7.472 1.553 1.00 0.00 N ATOM 122 CA GLU A 927 -8.320 -6.523 2.242 1.00 0.00 C ATOM 123 C GLU A 927 -7.556 -5.319 2.795 1.00 0.00 C ATOM 124 O GLU A 927 -7.901 -4.176 2.503 1.00 0.00 O ATOM 125 CB GLU A 927 -9.056 -7.249 3.365 1.00 0.00 C ATOM 126 CG GLU A 927 -10.203 -8.116 2.880 1.00 0.00 C ATOM 127 CD GLU A 927 -11.020 -8.679 4.019 1.00 0.00 C ATOM 128 OE1 GLU A 927 -11.920 -7.971 4.512 1.00 0.00 O ATOM 129 OE2 GLU A 927 -10.772 -9.832 4.427 1.00 0.00 O ATOM 0 H GLU A 927 -7.222 -8.290 2.111 1.00 0.00 H new ATOM 0 HA GLU A 927 -9.028 -6.124 1.516 1.00 0.00 H new ATOM 0 HB2 GLU A 927 -8.346 -7.872 3.910 1.00 0.00 H new ATOM 0 HB3 GLU A 927 -9.441 -6.513 4.071 1.00 0.00 H new ATOM 0 HG2 GLU A 927 -10.849 -7.528 2.229 1.00 0.00 H new ATOM 0 HG3 GLU A 927 -9.807 -8.936 2.280 1.00 0.00 H new ATOM 136 N ASN A 928 -6.527 -5.552 3.592 1.00 0.00 N ATOM 137 CA ASN A 928 -5.796 -4.437 4.186 1.00 0.00 C ATOM 138 C ASN A 928 -4.978 -3.729 3.117 1.00 0.00 C ATOM 139 O ASN A 928 -4.768 -2.522 3.181 1.00 0.00 O ATOM 140 CB ASN A 928 -4.893 -4.912 5.326 1.00 0.00 C ATOM 141 CG ASN A 928 -4.505 -3.806 6.309 1.00 0.00 C ATOM 142 OD1 ASN A 928 -4.406 -4.053 7.510 1.00 0.00 O ATOM 143 ND2 ASN A 928 -4.268 -2.593 5.820 1.00 0.00 N ATOM 0 H ASN A 928 -6.182 -6.479 3.841 1.00 0.00 H new ATOM 0 HA ASN A 928 -6.518 -3.736 4.606 1.00 0.00 H new ATOM 0 HB2 ASN A 928 -5.400 -5.708 5.871 1.00 0.00 H new ATOM 0 HB3 ASN A 928 -3.986 -5.343 4.903 1.00 0.00 H new ATOM 0 HD21 ASN A 928 -3.995 -1.835 6.446 1.00 0.00 H new ATOM 0 HD22 ASN A 928 -4.359 -2.420 4.819 1.00 0.00 H new ATOM 150 N VAL A 929 -4.507 -4.485 2.138 1.00 0.00 N ATOM 151 CA VAL A 929 -3.775 -3.896 1.030 1.00 0.00 C ATOM 152 C VAL A 929 -4.661 -2.943 0.214 1.00 0.00 C ATOM 153 O VAL A 929 -4.203 -1.887 -0.224 1.00 0.00 O ATOM 154 CB VAL A 929 -3.152 -4.965 0.122 1.00 0.00 C ATOM 155 CG1 VAL A 929 -4.203 -5.675 -0.701 1.00 0.00 C ATOM 156 CG2 VAL A 929 -2.089 -4.340 -0.753 1.00 0.00 C ATOM 0 H VAL A 929 -4.617 -5.498 2.088 1.00 0.00 H new ATOM 0 HA VAL A 929 -2.961 -3.315 1.464 1.00 0.00 H new ATOM 0 HB VAL A 929 -2.682 -5.722 0.750 1.00 0.00 H new ATOM 0 HG11 VAL A 929 -3.726 -6.425 -1.332 1.00 0.00 H new ATOM 0 HG12 VAL A 929 -4.918 -6.161 -0.037 1.00 0.00 H new ATOM 0 HG13 VAL A 929 -4.724 -4.952 -1.328 1.00 0.00 H new ATOM 0 HG21 VAL A 929 -1.651 -5.104 -1.395 1.00 0.00 H new ATOM 0 HG22 VAL A 929 -2.537 -3.561 -1.370 1.00 0.00 H new ATOM 0 HG23 VAL A 929 -1.312 -3.904 -0.126 1.00 0.00 H new ATOM 166 N THR A 930 -5.934 -3.295 0.021 1.00 0.00 N ATOM 167 CA THR A 930 -6.870 -2.357 -0.586 1.00 0.00 C ATOM 168 C THR A 930 -7.149 -1.232 0.396 1.00 0.00 C ATOM 169 O THR A 930 -7.453 -0.111 0.004 1.00 0.00 O ATOM 170 CB THR A 930 -8.197 -3.020 -1.016 1.00 0.00 C ATOM 171 OG1 THR A 930 -8.662 -3.915 -0.005 1.00 0.00 O ATOM 172 CG2 THR A 930 -8.040 -3.771 -2.326 1.00 0.00 C ATOM 0 H THR A 930 -6.330 -4.201 0.271 1.00 0.00 H new ATOM 0 HA THR A 930 -6.406 -1.972 -1.494 1.00 0.00 H new ATOM 0 HB THR A 930 -8.929 -2.225 -1.158 1.00 0.00 H new ATOM 0 HG1 THR A 930 -8.237 -3.692 0.850 1.00 0.00 H new ATOM 0 HG21 THR A 930 -8.992 -4.226 -2.601 1.00 0.00 H new ATOM 0 HG22 THR A 930 -7.730 -3.078 -3.108 1.00 0.00 H new ATOM 0 HG23 THR A 930 -7.285 -4.549 -2.211 1.00 0.00 H new ATOM 180 N GLY A 931 -7.037 -1.562 1.677 1.00 0.00 N ATOM 181 CA GLY A 931 -7.084 -0.565 2.724 1.00 0.00 C ATOM 182 C GLY A 931 -6.001 0.492 2.565 1.00 0.00 C ATOM 183 O GLY A 931 -6.201 1.641 2.950 1.00 0.00 O ATOM 0 H GLY A 931 -6.913 -2.518 2.010 1.00 0.00 H new ATOM 0 HA2 GLY A 931 -8.062 -0.083 2.720 1.00 0.00 H new ATOM 0 HA3 GLY A 931 -6.973 -1.053 3.692 1.00 0.00 H new ATOM 187 N LEU A 932 -4.854 0.109 1.991 1.00 0.00 N ATOM 188 CA LEU A 932 -3.795 1.071 1.706 1.00 0.00 C ATOM 189 C LEU A 932 -4.272 2.015 0.607 1.00 0.00 C ATOM 190 O LEU A 932 -4.175 3.234 0.737 1.00 0.00 O ATOM 191 CB LEU A 932 -2.495 0.351 1.297 1.00 0.00 C ATOM 192 CG LEU A 932 -1.187 1.155 1.457 1.00 0.00 C ATOM 193 CD1 LEU A 932 0.016 0.270 1.186 1.00 0.00 C ATOM 194 CD2 LEU A 932 -1.154 2.360 0.529 1.00 0.00 C ATOM 0 H LEU A 932 -4.641 -0.851 1.719 1.00 0.00 H new ATOM 0 HA LEU A 932 -3.573 1.648 2.604 1.00 0.00 H new ATOM 0 HB2 LEU A 932 -2.410 -0.562 1.887 1.00 0.00 H new ATOM 0 HB3 LEU A 932 -2.585 0.049 0.254 1.00 0.00 H new ATOM 0 HG LEU A 932 -1.149 1.514 2.485 1.00 0.00 H new ATOM 0 HD11 LEU A 932 0.930 0.852 1.303 1.00 0.00 H new ATOM 0 HD12 LEU A 932 0.023 -0.561 1.891 1.00 0.00 H new ATOM 0 HD13 LEU A 932 -0.039 -0.118 0.169 1.00 0.00 H new ATOM 0 HD21 LEU A 932 -0.219 2.902 0.669 1.00 0.00 H new ATOM 0 HD22 LEU A 932 -1.227 2.025 -0.506 1.00 0.00 H new ATOM 0 HD23 LEU A 932 -1.992 3.018 0.757 1.00 0.00 H new ATOM 206 N VAL A 933 -4.807 1.443 -0.467 1.00 0.00 N ATOM 207 CA VAL A 933 -5.408 2.237 -1.533 1.00 0.00 C ATOM 208 C VAL A 933 -6.528 3.117 -0.974 1.00 0.00 C ATOM 209 O VAL A 933 -6.630 4.293 -1.293 1.00 0.00 O ATOM 210 CB VAL A 933 -5.977 1.340 -2.648 1.00 0.00 C ATOM 211 CG1 VAL A 933 -6.475 2.176 -3.817 1.00 0.00 C ATOM 212 CG2 VAL A 933 -4.936 0.337 -3.114 1.00 0.00 C ATOM 0 H VAL A 933 -4.837 0.435 -0.622 1.00 0.00 H new ATOM 0 HA VAL A 933 -4.624 2.865 -1.956 1.00 0.00 H new ATOM 0 HB VAL A 933 -6.825 0.790 -2.239 1.00 0.00 H new ATOM 0 HG11 VAL A 933 -6.872 1.519 -4.591 1.00 0.00 H new ATOM 0 HG12 VAL A 933 -7.261 2.849 -3.474 1.00 0.00 H new ATOM 0 HG13 VAL A 933 -5.650 2.760 -4.225 1.00 0.00 H new ATOM 0 HG21 VAL A 933 -5.359 -0.287 -3.902 1.00 0.00 H new ATOM 0 HG22 VAL A 933 -4.066 0.868 -3.499 1.00 0.00 H new ATOM 0 HG23 VAL A 933 -4.635 -0.292 -2.276 1.00 0.00 H new ATOM 222 N LYS A 934 -7.359 2.529 -0.134 1.00 0.00 N ATOM 223 CA LYS A 934 -8.432 3.249 0.539 1.00 0.00 C ATOM 224 C LYS A 934 -7.878 4.397 1.382 1.00 0.00 C ATOM 225 O LYS A 934 -8.516 5.434 1.526 1.00 0.00 O ATOM 226 CB LYS A 934 -9.237 2.290 1.426 1.00 0.00 C ATOM 227 CG LYS A 934 -10.606 1.884 0.875 1.00 0.00 C ATOM 228 CD LYS A 934 -10.544 0.825 -0.226 1.00 0.00 C ATOM 229 CE LYS A 934 -9.963 1.357 -1.523 1.00 0.00 C ATOM 230 NZ LYS A 934 -10.209 0.434 -2.660 1.00 0.00 N ATOM 0 H LYS A 934 -7.312 1.538 0.103 1.00 0.00 H new ATOM 0 HA LYS A 934 -9.088 3.669 -0.223 1.00 0.00 H new ATOM 0 HB2 LYS A 934 -8.646 1.388 1.587 1.00 0.00 H new ATOM 0 HB3 LYS A 934 -9.380 2.756 2.401 1.00 0.00 H new ATOM 0 HG2 LYS A 934 -11.218 1.507 1.694 1.00 0.00 H new ATOM 0 HG3 LYS A 934 -11.107 2.770 0.485 1.00 0.00 H new ATOM 0 HD2 LYS A 934 -9.942 -0.016 0.119 1.00 0.00 H new ATOM 0 HD3 LYS A 934 -11.548 0.443 -0.413 1.00 0.00 H new ATOM 0 HE2 LYS A 934 -10.401 2.330 -1.744 1.00 0.00 H new ATOM 0 HE3 LYS A 934 -8.890 1.509 -1.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 934 -9.797 0.834 -3.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 934 -9.770 -0.487 -2.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 934 -11.233 0.308 -2.790 1.00 0.00 H new ATOM 244 N ALA A 935 -6.680 4.210 1.920 1.00 0.00 N ATOM 245 CA ALA A 935 -6.055 5.221 2.756 1.00 0.00 C ATOM 246 C ALA A 935 -5.421 6.326 1.920 1.00 0.00 C ATOM 247 O ALA A 935 -5.282 7.456 2.378 1.00 0.00 O ATOM 248 CB ALA A 935 -5.031 4.593 3.674 1.00 0.00 C ATOM 0 H ALA A 935 -6.123 3.366 1.791 1.00 0.00 H new ATOM 0 HA ALA A 935 -6.836 5.676 3.365 1.00 0.00 H new ATOM 0 HB1 ALA A 935 -4.574 5.366 4.292 1.00 0.00 H new ATOM 0 HB2 ALA A 935 -5.519 3.858 4.314 1.00 0.00 H new ATOM 0 HB3 ALA A 935 -4.261 4.102 3.079 1.00 0.00 H new ATOM 254 N VAL A 936 -5.028 6.015 0.696 1.00 0.00 N ATOM 255 CA VAL A 936 -4.586 7.063 -0.206 1.00 0.00 C ATOM 256 C VAL A 936 -5.809 7.696 -0.873 1.00 0.00 C ATOM 257 O VAL A 936 -5.739 8.775 -1.465 1.00 0.00 O ATOM 258 CB VAL A 936 -3.524 6.571 -1.229 1.00 0.00 C ATOM 259 CG1 VAL A 936 -4.084 5.519 -2.168 1.00 0.00 C ATOM 260 CG2 VAL A 936 -2.943 7.736 -2.022 1.00 0.00 C ATOM 0 H VAL A 936 -5.006 5.070 0.312 1.00 0.00 H new ATOM 0 HA VAL A 936 -4.070 7.829 0.373 1.00 0.00 H new ATOM 0 HB VAL A 936 -2.722 6.108 -0.654 1.00 0.00 H new ATOM 0 HG11 VAL A 936 -3.308 5.204 -2.866 1.00 0.00 H new ATOM 0 HG12 VAL A 936 -4.424 4.659 -1.590 1.00 0.00 H new ATOM 0 HG13 VAL A 936 -4.923 5.937 -2.724 1.00 0.00 H new ATOM 0 HG21 VAL A 936 -2.203 7.362 -2.729 1.00 0.00 H new ATOM 0 HG22 VAL A 936 -3.742 8.241 -2.565 1.00 0.00 H new ATOM 0 HG23 VAL A 936 -2.468 8.440 -1.339 1.00 0.00 H new ATOM 270 N ILE A 937 -6.951 7.035 -0.725 1.00 0.00 N ATOM 271 CA ILE A 937 -8.227 7.671 -1.011 1.00 0.00 C ATOM 272 C ILE A 937 -8.544 8.659 0.113 1.00 0.00 C ATOM 273 O ILE A 937 -9.053 9.752 -0.127 1.00 0.00 O ATOM 274 CB ILE A 937 -9.377 6.647 -1.161 1.00 0.00 C ATOM 275 CG1 ILE A 937 -9.109 5.701 -2.337 1.00 0.00 C ATOM 276 CG2 ILE A 937 -10.715 7.354 -1.347 1.00 0.00 C ATOM 277 CD1 ILE A 937 -8.948 6.405 -3.669 1.00 0.00 C ATOM 0 H ILE A 937 -7.018 6.067 -0.411 1.00 0.00 H new ATOM 0 HA ILE A 937 -8.143 8.190 -1.966 1.00 0.00 H new ATOM 0 HB ILE A 937 -9.424 6.059 -0.245 1.00 0.00 H new ATOM 0 HG12 ILE A 937 -8.206 5.127 -2.130 1.00 0.00 H new ATOM 0 HG13 ILE A 937 -9.930 4.988 -2.411 1.00 0.00 H new ATOM 0 HG21 ILE A 937 -11.507 6.612 -1.450 1.00 0.00 H new ATOM 0 HG22 ILE A 937 -10.918 7.983 -0.480 1.00 0.00 H new ATOM 0 HG23 ILE A 937 -10.678 7.973 -2.244 1.00 0.00 H new ATOM 0 HD11 ILE A 937 -8.761 5.668 -4.450 1.00 0.00 H new ATOM 0 HD12 ILE A 937 -9.859 6.957 -3.901 1.00 0.00 H new ATOM 0 HD13 ILE A 937 -8.108 7.097 -3.615 1.00 0.00 H new ATOM 289 N GLU A 938 -8.222 8.255 1.348 1.00 0.00 N ATOM 290 CA GLU A 938 -8.249 9.156 2.504 1.00 0.00 C ATOM 291 C GLU A 938 -7.433 10.411 2.216 1.00 0.00 C ATOM 292 O GLU A 938 -7.776 11.502 2.663 1.00 0.00 O ATOM 293 CB GLU A 938 -7.684 8.464 3.750 1.00 0.00 C ATOM 294 CG GLU A 938 -8.455 7.222 4.173 1.00 0.00 C ATOM 295 CD GLU A 938 -9.813 7.538 4.760 1.00 0.00 C ATOM 296 OE1 GLU A 938 -10.650 8.146 4.060 1.00 0.00 O ATOM 297 OE2 GLU A 938 -10.046 7.192 5.937 1.00 0.00 O ATOM 0 H GLU A 938 -7.938 7.301 1.572 1.00 0.00 H new ATOM 0 HA GLU A 938 -9.288 9.429 2.690 1.00 0.00 H new ATOM 0 HB2 GLU A 938 -6.647 8.188 3.560 1.00 0.00 H new ATOM 0 HB3 GLU A 938 -7.679 9.175 4.576 1.00 0.00 H new ATOM 0 HG2 GLU A 938 -8.582 6.569 3.310 1.00 0.00 H new ATOM 0 HG3 GLU A 938 -7.868 6.670 4.907 1.00 0.00 H new ATOM 304 N MET A 939 -6.364 10.243 1.446 1.00 0.00 N ATOM 305 CA MET A 939 -5.539 11.366 1.018 1.00 0.00 C ATOM 306 C MET A 939 -6.377 12.350 0.213 1.00 0.00 C ATOM 307 O MET A 939 -6.335 13.556 0.439 1.00 0.00 O ATOM 308 CB MET A 939 -4.358 10.876 0.176 1.00 0.00 C ATOM 309 CG MET A 939 -3.669 11.979 -0.615 1.00 0.00 C ATOM 310 SD MET A 939 -2.332 11.369 -1.654 1.00 0.00 S ATOM 311 CE MET A 939 -1.225 10.720 -0.410 1.00 0.00 C ATOM 0 H MET A 939 -6.048 9.336 1.104 1.00 0.00 H new ATOM 0 HA MET A 939 -5.150 11.867 1.904 1.00 0.00 H new ATOM 0 HB2 MET A 939 -3.628 10.402 0.832 1.00 0.00 H new ATOM 0 HB3 MET A 939 -4.710 10.111 -0.516 1.00 0.00 H new ATOM 0 HG2 MET A 939 -4.405 12.485 -1.240 1.00 0.00 H new ATOM 0 HG3 MET A 939 -3.274 12.722 0.077 1.00 0.00 H new ATOM 0 HE1 MET A 939 -0.273 11.249 -0.458 1.00 0.00 H new ATOM 0 HE2 MET A 939 -1.667 10.857 0.577 1.00 0.00 H new ATOM 0 HE3 MET A 939 -1.059 9.658 -0.589 1.00 0.00 H new ATOM 321 N SER A 940 -7.163 11.820 -0.710 1.00 0.00 N ATOM 322 CA SER A 940 -8.033 12.648 -1.530 1.00 0.00 C ATOM 323 C SER A 940 -9.155 13.266 -0.695 1.00 0.00 C ATOM 324 O SER A 940 -9.616 14.374 -0.977 1.00 0.00 O ATOM 325 CB SER A 940 -8.615 11.818 -2.674 1.00 0.00 C ATOM 326 OG SER A 940 -7.585 11.283 -3.492 1.00 0.00 O ATOM 0 H SER A 940 -7.217 10.821 -0.910 1.00 0.00 H new ATOM 0 HA SER A 940 -7.439 13.462 -1.946 1.00 0.00 H new ATOM 0 HB2 SER A 940 -9.220 11.007 -2.268 1.00 0.00 H new ATOM 0 HB3 SER A 940 -9.278 12.439 -3.277 1.00 0.00 H new ATOM 0 HG SER A 940 -7.983 10.755 -4.215 1.00 0.00 H new ATOM 332 N SER A 941 -9.570 12.569 0.358 1.00 0.00 N ATOM 333 CA SER A 941 -10.672 13.042 1.179 1.00 0.00 C ATOM 334 C SER A 941 -10.176 14.163 2.074 1.00 0.00 C ATOM 335 O SER A 941 -10.886 15.127 2.361 1.00 0.00 O ATOM 336 CB SER A 941 -11.238 11.894 2.016 1.00 0.00 C ATOM 337 OG SER A 941 -11.587 10.792 1.194 1.00 0.00 O ATOM 0 H SER A 941 -9.163 11.683 0.659 1.00 0.00 H new ATOM 0 HA SER A 941 -11.471 13.419 0.540 1.00 0.00 H new ATOM 0 HB2 SER A 941 -10.502 11.581 2.757 1.00 0.00 H new ATOM 0 HB3 SER A 941 -12.116 12.237 2.564 1.00 0.00 H new ATOM 0 HG SER A 941 -10.775 10.403 0.807 1.00 0.00 H new ATOM 343 N LYS A 942 -8.923 14.025 2.471 1.00 0.00 N ATOM 344 CA LYS A 942 -8.249 14.975 3.333 1.00 0.00 C ATOM 345 C LYS A 942 -8.184 16.359 2.722 1.00 0.00 C ATOM 346 O LYS A 942 -8.549 17.347 3.364 1.00 0.00 O ATOM 347 CB LYS A 942 -6.844 14.471 3.614 1.00 0.00 C ATOM 348 CG LYS A 942 -6.714 13.817 4.964 1.00 0.00 C ATOM 349 CD LYS A 942 -6.754 14.871 6.036 1.00 0.00 C ATOM 350 CE LYS A 942 -6.925 14.255 7.411 1.00 0.00 C ATOM 351 NZ LYS A 942 -7.100 15.285 8.464 1.00 0.00 N ATOM 0 H LYS A 942 -8.337 13.236 2.198 1.00 0.00 H new ATOM 0 HA LYS A 942 -8.820 15.058 4.257 1.00 0.00 H new ATOM 0 HB2 LYS A 942 -6.558 13.757 2.841 1.00 0.00 H new ATOM 0 HB3 LYS A 942 -6.145 15.305 3.551 1.00 0.00 H new ATOM 0 HG2 LYS A 942 -7.522 13.101 5.113 1.00 0.00 H new ATOM 0 HG3 LYS A 942 -5.779 13.259 5.022 1.00 0.00 H new ATOM 0 HD2 LYS A 942 -5.834 15.455 6.009 1.00 0.00 H new ATOM 0 HD3 LYS A 942 -7.575 15.561 5.840 1.00 0.00 H new ATOM 0 HE2 LYS A 942 -7.790 13.591 7.406 1.00 0.00 H new ATOM 0 HE3 LYS A 942 -6.054 13.642 7.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 942 -7.213 14.821 9.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 942 -6.264 15.903 8.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 942 -7.945 15.854 8.256 1.00 0.00 H new ATOM 365 N ILE A 943 -7.727 16.428 1.487 1.00 0.00 N ATOM 366 CA ILE A 943 -7.543 17.708 0.827 1.00 0.00 C ATOM 367 C ILE A 943 -8.892 18.366 0.516 1.00 0.00 C ATOM 368 O ILE A 943 -8.982 19.589 0.370 1.00 0.00 O ATOM 369 CB ILE A 943 -6.693 17.564 -0.465 1.00 0.00 C ATOM 370 CG1 ILE A 943 -6.515 18.914 -1.173 1.00 0.00 C ATOM 371 CG2 ILE A 943 -7.315 16.549 -1.413 1.00 0.00 C ATOM 372 CD1 ILE A 943 -5.784 19.952 -0.344 1.00 0.00 C ATOM 0 H ILE A 943 -7.477 15.617 0.921 1.00 0.00 H new ATOM 0 HA ILE A 943 -6.998 18.354 1.515 1.00 0.00 H new ATOM 0 HB ILE A 943 -5.707 17.206 -0.169 1.00 0.00 H new ATOM 0 HG12 ILE A 943 -5.969 18.756 -2.103 1.00 0.00 H new ATOM 0 HG13 ILE A 943 -7.497 19.304 -1.442 1.00 0.00 H new ATOM 0 HG21 ILE A 943 -6.702 16.466 -2.310 1.00 0.00 H new ATOM 0 HG22 ILE A 943 -7.371 15.578 -0.921 1.00 0.00 H new ATOM 0 HG23 ILE A 943 -8.318 16.875 -1.688 1.00 0.00 H new ATOM 0 HD11 ILE A 943 -5.698 20.878 -0.913 1.00 0.00 H new ATOM 0 HD12 ILE A 943 -6.339 20.141 0.575 1.00 0.00 H new ATOM 0 HD13 ILE A 943 -4.788 19.585 -0.097 1.00 0.00 H new ATOM 384 N GLN A 944 -9.945 17.553 0.415 1.00 0.00 N ATOM 385 CA GLN A 944 -11.284 18.074 0.150 1.00 0.00 C ATOM 386 C GLN A 944 -11.685 19.184 1.140 1.00 0.00 C ATOM 387 O GLN A 944 -11.927 20.312 0.713 1.00 0.00 O ATOM 388 CB GLN A 944 -12.328 16.951 0.143 1.00 0.00 C ATOM 389 CG GLN A 944 -12.197 16.007 -1.038 1.00 0.00 C ATOM 390 CD GLN A 944 -13.193 14.865 -0.995 1.00 0.00 C ATOM 391 OE1 GLN A 944 -14.302 15.004 -0.477 1.00 0.00 O ATOM 392 NE2 GLN A 944 -12.796 13.723 -1.533 1.00 0.00 N ATOM 0 H GLN A 944 -9.896 16.539 0.512 1.00 0.00 H new ATOM 0 HA GLN A 944 -11.254 18.521 -0.844 1.00 0.00 H new ATOM 0 HB2 GLN A 944 -12.240 16.379 1.066 1.00 0.00 H new ATOM 0 HB3 GLN A 944 -13.324 17.393 0.136 1.00 0.00 H new ATOM 0 HG2 GLN A 944 -12.335 16.568 -1.962 1.00 0.00 H new ATOM 0 HG3 GLN A 944 -11.186 15.600 -1.061 1.00 0.00 H new ATOM 0 HE21 GLN A 944 -11.869 13.652 -1.952 1.00 0.00 H new ATOM 0 HE22 GLN A 944 -13.417 12.914 -1.529 1.00 0.00 H new ATOM 401 N PRO A 945 -11.773 18.915 2.464 1.00 0.00 N ATOM 402 CA PRO A 945 -12.231 19.911 3.419 1.00 0.00 C ATOM 403 C PRO A 945 -11.117 20.634 4.194 1.00 0.00 C ATOM 404 O PRO A 945 -11.410 21.354 5.152 1.00 0.00 O ATOM 405 CB PRO A 945 -13.062 19.059 4.376 1.00 0.00 C ATOM 406 CG PRO A 945 -12.448 17.692 4.330 1.00 0.00 C ATOM 407 CD PRO A 945 -11.508 17.657 3.148 1.00 0.00 C ATOM 0 HA PRO A 945 -12.754 20.726 2.919 1.00 0.00 H new ATOM 0 HB2 PRO A 945 -13.037 19.467 5.387 1.00 0.00 H new ATOM 0 HB3 PRO A 945 -14.108 19.030 4.069 1.00 0.00 H new ATOM 0 HG2 PRO A 945 -11.910 17.482 5.254 1.00 0.00 H new ATOM 0 HG3 PRO A 945 -13.219 16.928 4.230 1.00 0.00 H new ATOM 0 HD2 PRO A 945 -10.468 17.584 3.465 1.00 0.00 H new ATOM 0 HD3 PRO A 945 -11.706 16.801 2.503 1.00 0.00 H new ATOM 415 N ALA A 946 -9.854 20.463 3.813 1.00 0.00 N ATOM 416 CA ALA A 946 -8.772 21.103 4.562 1.00 0.00 C ATOM 417 C ALA A 946 -7.676 21.679 3.652 1.00 0.00 C ATOM 418 O ALA A 946 -7.570 21.307 2.484 1.00 0.00 O ATOM 419 CB ALA A 946 -8.183 20.110 5.553 1.00 0.00 C ATOM 0 H ALA A 946 -9.557 19.903 3.013 1.00 0.00 H new ATOM 0 HA ALA A 946 -9.200 21.950 5.098 1.00 0.00 H new ATOM 0 HB1 ALA A 946 -7.377 20.587 6.111 1.00 0.00 H new ATOM 0 HB2 ALA A 946 -8.959 19.783 6.245 1.00 0.00 H new ATOM 0 HB3 ALA A 946 -7.790 19.248 5.014 1.00 0.00 H new ATOM 425 N PRO A 947 -6.875 22.632 4.181 1.00 0.00 N ATOM 426 CA PRO A 947 -5.708 23.199 3.488 1.00 0.00 C ATOM 427 C PRO A 947 -4.464 22.314 3.660 1.00 0.00 C ATOM 428 O PRO A 947 -4.505 21.385 4.454 1.00 0.00 O ATOM 429 CB PRO A 947 -5.509 24.563 4.181 1.00 0.00 C ATOM 430 CG PRO A 947 -6.540 24.649 5.267 1.00 0.00 C ATOM 431 CD PRO A 947 -7.052 23.255 5.492 1.00 0.00 C ATOM 0 HA PRO A 947 -5.860 23.280 2.412 1.00 0.00 H new ATOM 0 HB2 PRO A 947 -4.504 24.644 4.594 1.00 0.00 H new ATOM 0 HB3 PRO A 947 -5.628 25.380 3.469 1.00 0.00 H new ATOM 0 HG2 PRO A 947 -6.105 25.053 6.181 1.00 0.00 H new ATOM 0 HG3 PRO A 947 -7.351 25.317 4.977 1.00 0.00 H new ATOM 0 HD2 PRO A 947 -6.487 22.736 6.266 1.00 0.00 H new ATOM 0 HD3 PRO A 947 -8.096 23.253 5.804 1.00 0.00 H new ATOM 439 N PRO A 948 -3.329 22.636 2.973 1.00 0.00 N ATOM 440 CA PRO A 948 -2.112 21.771 2.906 1.00 0.00 C ATOM 441 C PRO A 948 -1.614 21.232 4.258 1.00 0.00 C ATOM 442 O PRO A 948 -0.806 20.279 4.319 1.00 0.00 O ATOM 443 CB PRO A 948 -1.068 22.704 2.297 1.00 0.00 C ATOM 444 CG PRO A 948 -1.858 23.620 1.436 1.00 0.00 C ATOM 445 CD PRO A 948 -3.144 23.866 2.177 1.00 0.00 C ATOM 0 HA PRO A 948 -2.321 20.864 2.339 1.00 0.00 H new ATOM 0 HB2 PRO A 948 -0.525 23.251 3.067 1.00 0.00 H new ATOM 0 HB3 PRO A 948 -0.329 22.151 1.718 1.00 0.00 H new ATOM 0 HG2 PRO A 948 -1.322 24.553 1.261 1.00 0.00 H new ATOM 0 HG3 PRO A 948 -2.048 23.174 0.460 1.00 0.00 H new ATOM 0 HD2 PRO A 948 -3.077 24.749 2.813 1.00 0.00 H new ATOM 0 HD3 PRO A 948 -3.976 24.029 1.492 1.00 0.00 H new ATOM 453 N GLU A 949 -2.082 21.835 5.341 1.00 0.00 N ATOM 454 CA GLU A 949 -1.863 21.293 6.671 1.00 0.00 C ATOM 455 C GLU A 949 -2.350 19.842 6.738 1.00 0.00 C ATOM 456 O GLU A 949 -1.965 19.097 7.636 1.00 0.00 O ATOM 457 CB GLU A 949 -2.594 22.139 7.719 1.00 0.00 C ATOM 458 CG GLU A 949 -1.885 23.437 8.089 1.00 0.00 C ATOM 459 CD GLU A 949 -1.557 24.314 6.896 1.00 0.00 C ATOM 460 OE1 GLU A 949 -2.470 24.616 6.098 1.00 0.00 O ATOM 461 OE2 GLU A 949 -0.382 24.720 6.758 1.00 0.00 O ATOM 0 H GLU A 949 -2.618 22.703 5.323 1.00 0.00 H new ATOM 0 HA GLU A 949 -0.794 21.318 6.883 1.00 0.00 H new ATOM 0 HB2 GLU A 949 -3.590 22.377 7.345 1.00 0.00 H new ATOM 0 HB3 GLU A 949 -2.727 21.542 8.621 1.00 0.00 H new ATOM 0 HG2 GLU A 949 -2.513 23.999 8.780 1.00 0.00 H new ATOM 0 HG3 GLU A 949 -0.962 23.199 8.618 1.00 0.00 H new ATOM 468 N GLU A 950 -3.199 19.447 5.784 1.00 0.00 N ATOM 469 CA GLU A 950 -3.647 18.066 5.686 1.00 0.00 C ATOM 470 C GLU A 950 -2.807 17.272 4.696 1.00 0.00 C ATOM 471 O GLU A 950 -2.868 16.054 4.701 1.00 0.00 O ATOM 472 CB GLU A 950 -5.136 17.947 5.326 1.00 0.00 C ATOM 473 CG GLU A 950 -5.594 18.766 4.125 1.00 0.00 C ATOM 474 CD GLU A 950 -4.816 18.494 2.858 1.00 0.00 C ATOM 475 OE1 GLU A 950 -4.931 17.380 2.320 1.00 0.00 O ATOM 476 OE2 GLU A 950 -4.076 19.397 2.413 1.00 0.00 O ATOM 0 H GLU A 950 -3.586 20.067 5.073 1.00 0.00 H new ATOM 0 HA GLU A 950 -3.514 17.640 6.681 1.00 0.00 H new ATOM 0 HB2 GLU A 950 -5.362 16.898 5.134 1.00 0.00 H new ATOM 0 HB3 GLU A 950 -5.725 18.247 6.193 1.00 0.00 H new ATOM 0 HG2 GLU A 950 -6.649 18.562 3.941 1.00 0.00 H new ATOM 0 HG3 GLU A 950 -5.512 19.825 4.369 1.00 0.00 H new ATOM 483 N TYR A 951 -2.035 17.957 3.850 1.00 0.00 N ATOM 484 CA TYR A 951 -1.100 17.277 2.952 1.00 0.00 C ATOM 485 C TYR A 951 -0.283 16.294 3.744 1.00 0.00 C ATOM 486 O TYR A 951 -0.067 15.152 3.330 1.00 0.00 O ATOM 487 CB TYR A 951 -0.132 18.252 2.280 1.00 0.00 C ATOM 488 CG TYR A 951 -0.670 18.960 1.066 1.00 0.00 C ATOM 489 CD1 TYR A 951 -1.882 18.605 0.498 1.00 0.00 C ATOM 490 CD2 TYR A 951 0.061 19.978 0.477 1.00 0.00 C ATOM 491 CE1 TYR A 951 -2.354 19.247 -0.627 1.00 0.00 C ATOM 492 CE2 TYR A 951 -0.400 20.629 -0.642 1.00 0.00 C ATOM 493 CZ TYR A 951 -1.610 20.261 -1.195 1.00 0.00 C ATOM 494 OH TYR A 951 -2.075 20.901 -2.325 1.00 0.00 O ATOM 0 H TYR A 951 -2.038 18.974 3.768 1.00 0.00 H new ATOM 0 HA TYR A 951 -1.692 16.784 2.181 1.00 0.00 H new ATOM 0 HB2 TYR A 951 0.170 19.001 3.012 1.00 0.00 H new ATOM 0 HB3 TYR A 951 0.767 17.706 1.993 1.00 0.00 H new ATOM 0 HD1 TYR A 951 -2.466 17.813 0.943 1.00 0.00 H new ATOM 0 HD2 TYR A 951 1.010 20.265 0.905 1.00 0.00 H new ATOM 0 HE1 TYR A 951 -3.300 18.958 -1.061 1.00 0.00 H new ATOM 0 HE2 TYR A 951 0.181 21.424 -1.086 1.00 0.00 H new ATOM 0 HH TYR A 951 -1.434 21.590 -2.598 1.00 0.00 H new ATOM 504 N VAL A 952 0.169 16.748 4.895 1.00 0.00 N ATOM 505 CA VAL A 952 0.929 15.874 5.776 1.00 0.00 C ATOM 506 C VAL A 952 0.042 14.763 6.407 1.00 0.00 C ATOM 507 O VAL A 952 0.347 13.582 6.229 1.00 0.00 O ATOM 508 CB VAL A 952 1.775 16.666 6.821 1.00 0.00 C ATOM 509 CG1 VAL A 952 1.189 18.043 7.105 1.00 0.00 C ATOM 510 CG2 VAL A 952 1.950 15.882 8.116 1.00 0.00 C ATOM 0 H VAL A 952 0.029 17.697 5.241 1.00 0.00 H new ATOM 0 HA VAL A 952 1.657 15.353 5.154 1.00 0.00 H new ATOM 0 HB VAL A 952 2.760 16.809 6.376 1.00 0.00 H new ATOM 0 HG11 VAL A 952 1.810 18.559 7.838 1.00 0.00 H new ATOM 0 HG12 VAL A 952 1.159 18.623 6.183 1.00 0.00 H new ATOM 0 HG13 VAL A 952 0.178 17.934 7.498 1.00 0.00 H new ATOM 0 HG21 VAL A 952 2.544 16.467 8.818 1.00 0.00 H new ATOM 0 HG22 VAL A 952 0.972 15.676 8.552 1.00 0.00 H new ATOM 0 HG23 VAL A 952 2.459 14.941 7.906 1.00 0.00 H new ATOM 520 N PRO A 953 -1.064 15.087 7.129 1.00 0.00 N ATOM 521 CA PRO A 953 -1.996 14.067 7.656 1.00 0.00 C ATOM 522 C PRO A 953 -2.577 13.117 6.604 1.00 0.00 C ATOM 523 O PRO A 953 -2.817 11.952 6.901 1.00 0.00 O ATOM 524 CB PRO A 953 -3.123 14.894 8.256 1.00 0.00 C ATOM 525 CG PRO A 953 -2.465 16.158 8.646 1.00 0.00 C ATOM 526 CD PRO A 953 -1.459 16.423 7.563 1.00 0.00 C ATOM 0 HA PRO A 953 -1.472 13.411 8.350 1.00 0.00 H new ATOM 0 HB2 PRO A 953 -3.921 15.065 7.534 1.00 0.00 H new ATOM 0 HB3 PRO A 953 -3.572 14.395 9.115 1.00 0.00 H new ATOM 0 HG2 PRO A 953 -3.187 16.971 8.722 1.00 0.00 H new ATOM 0 HG3 PRO A 953 -1.983 16.068 9.619 1.00 0.00 H new ATOM 0 HD2 PRO A 953 -1.892 16.999 6.745 1.00 0.00 H new ATOM 0 HD3 PRO A 953 -0.607 16.991 7.937 1.00 0.00 H new ATOM 534 N MET A 954 -2.835 13.598 5.393 1.00 0.00 N ATOM 535 CA MET A 954 -3.431 12.745 4.371 1.00 0.00 C ATOM 536 C MET A 954 -2.471 11.633 3.996 1.00 0.00 C ATOM 537 O MET A 954 -2.869 10.486 3.818 1.00 0.00 O ATOM 538 CB MET A 954 -3.865 13.533 3.124 1.00 0.00 C ATOM 539 CG MET A 954 -2.743 14.056 2.241 1.00 0.00 C ATOM 540 SD MET A 954 -3.380 14.882 0.769 1.00 0.00 S ATOM 541 CE MET A 954 -1.875 15.231 -0.128 1.00 0.00 C ATOM 0 H MET A 954 -2.645 14.556 5.098 1.00 0.00 H new ATOM 0 HA MET A 954 -4.336 12.312 4.797 1.00 0.00 H new ATOM 0 HB2 MET A 954 -4.508 12.893 2.520 1.00 0.00 H new ATOM 0 HB3 MET A 954 -4.471 14.380 3.446 1.00 0.00 H new ATOM 0 HG2 MET A 954 -2.126 14.752 2.810 1.00 0.00 H new ATOM 0 HG3 MET A 954 -2.099 13.229 1.944 1.00 0.00 H new ATOM 0 HE1 MET A 954 -2.104 15.848 -0.997 1.00 0.00 H new ATOM 0 HE2 MET A 954 -1.179 15.762 0.521 1.00 0.00 H new ATOM 0 HE3 MET A 954 -1.422 14.296 -0.457 1.00 0.00 H new ATOM 551 N VAL A 955 -1.206 11.977 3.860 1.00 0.00 N ATOM 552 CA VAL A 955 -0.180 10.966 3.697 1.00 0.00 C ATOM 553 C VAL A 955 -0.020 10.143 4.965 1.00 0.00 C ATOM 554 O VAL A 955 0.350 8.974 4.905 1.00 0.00 O ATOM 555 CB VAL A 955 1.167 11.567 3.273 1.00 0.00 C ATOM 556 CG1 VAL A 955 2.249 10.500 3.255 1.00 0.00 C ATOM 557 CG2 VAL A 955 1.034 12.217 1.907 1.00 0.00 C ATOM 0 H VAL A 955 -0.866 12.939 3.859 1.00 0.00 H new ATOM 0 HA VAL A 955 -0.510 10.309 2.893 1.00 0.00 H new ATOM 0 HB VAL A 955 1.456 12.327 3.998 1.00 0.00 H new ATOM 0 HG11 VAL A 955 3.196 10.947 2.952 1.00 0.00 H new ATOM 0 HG12 VAL A 955 2.353 10.070 4.251 1.00 0.00 H new ATOM 0 HG13 VAL A 955 1.975 9.716 2.549 1.00 0.00 H new ATOM 0 HG21 VAL A 955 1.993 12.642 1.611 1.00 0.00 H new ATOM 0 HG22 VAL A 955 0.728 11.469 1.176 1.00 0.00 H new ATOM 0 HG23 VAL A 955 0.285 13.008 1.952 1.00 0.00 H new ATOM 567 N LYS A 956 -0.312 10.742 6.110 1.00 0.00 N ATOM 568 CA LYS A 956 -0.284 9.994 7.363 1.00 0.00 C ATOM 569 C LYS A 956 -1.294 8.853 7.272 1.00 0.00 C ATOM 570 O LYS A 956 -1.032 7.734 7.722 1.00 0.00 O ATOM 571 CB LYS A 956 -0.612 10.911 8.545 1.00 0.00 C ATOM 572 CG LYS A 956 -0.472 10.259 9.913 1.00 0.00 C ATOM 573 CD LYS A 956 -1.789 10.264 10.677 1.00 0.00 C ATOM 574 CE LYS A 956 -2.732 9.181 10.181 1.00 0.00 C ATOM 575 NZ LYS A 956 -4.097 9.320 10.747 1.00 0.00 N ATOM 0 H LYS A 956 -0.567 11.725 6.201 1.00 0.00 H new ATOM 0 HA LYS A 956 0.714 9.588 7.526 1.00 0.00 H new ATOM 0 HB2 LYS A 956 0.042 11.782 8.504 1.00 0.00 H new ATOM 0 HB3 LYS A 956 -1.634 11.274 8.433 1.00 0.00 H new ATOM 0 HG2 LYS A 956 -0.125 9.233 9.793 1.00 0.00 H new ATOM 0 HG3 LYS A 956 0.286 10.787 10.492 1.00 0.00 H new ATOM 0 HD2 LYS A 956 -1.594 10.118 11.739 1.00 0.00 H new ATOM 0 HD3 LYS A 956 -2.267 11.238 10.572 1.00 0.00 H new ATOM 0 HE2 LYS A 956 -2.787 9.220 9.093 1.00 0.00 H new ATOM 0 HE3 LYS A 956 -2.329 8.203 10.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 956 -4.512 8.377 10.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 956 -4.046 9.816 11.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 956 -4.691 9.865 10.090 1.00 0.00 H new ATOM 589 N GLU A 957 -2.444 9.161 6.675 1.00 0.00 N ATOM 590 CA GLU A 957 -3.476 8.164 6.404 1.00 0.00 C ATOM 591 C GLU A 957 -2.890 6.989 5.608 1.00 0.00 C ATOM 592 O GLU A 957 -3.109 5.824 5.952 1.00 0.00 O ATOM 593 CB GLU A 957 -4.649 8.795 5.624 1.00 0.00 C ATOM 594 CG GLU A 957 -5.219 10.061 6.254 1.00 0.00 C ATOM 595 CD GLU A 957 -5.768 9.847 7.651 1.00 0.00 C ATOM 596 OE1 GLU A 957 -6.781 9.131 7.796 1.00 0.00 O ATOM 597 OE2 GLU A 957 -5.204 10.411 8.611 1.00 0.00 O ATOM 0 H GLU A 957 -2.685 10.103 6.367 1.00 0.00 H new ATOM 0 HA GLU A 957 -3.850 7.793 7.358 1.00 0.00 H new ATOM 0 HB2 GLU A 957 -4.314 9.027 4.613 1.00 0.00 H new ATOM 0 HB3 GLU A 957 -5.447 8.058 5.534 1.00 0.00 H new ATOM 0 HG2 GLU A 957 -4.439 10.822 6.291 1.00 0.00 H new ATOM 0 HG3 GLU A 957 -6.013 10.449 5.616 1.00 0.00 H new ATOM 604 N VAL A 958 -2.112 7.300 4.568 1.00 0.00 N ATOM 605 CA VAL A 958 -1.498 6.276 3.729 1.00 0.00 C ATOM 606 C VAL A 958 -0.301 5.613 4.419 1.00 0.00 C ATOM 607 O VAL A 958 0.003 4.453 4.164 1.00 0.00 O ATOM 608 CB VAL A 958 -1.030 6.850 2.373 1.00 0.00 C ATOM 609 CG1 VAL A 958 -0.995 5.763 1.315 1.00 0.00 C ATOM 610 CG2 VAL A 958 -1.918 8.002 1.936 1.00 0.00 C ATOM 0 H VAL A 958 -1.894 8.257 4.289 1.00 0.00 H new ATOM 0 HA VAL A 958 -2.272 5.528 3.557 1.00 0.00 H new ATOM 0 HB VAL A 958 -0.018 7.236 2.499 1.00 0.00 H new ATOM 0 HG11 VAL A 958 -0.663 6.188 0.368 1.00 0.00 H new ATOM 0 HG12 VAL A 958 -0.304 4.978 1.623 1.00 0.00 H new ATOM 0 HG13 VAL A 958 -1.993 5.341 1.194 1.00 0.00 H new ATOM 0 HG21 VAL A 958 -1.568 8.389 0.979 1.00 0.00 H new ATOM 0 HG22 VAL A 958 -2.945 7.651 1.832 1.00 0.00 H new ATOM 0 HG23 VAL A 958 -1.880 8.795 2.683 1.00 0.00 H new ATOM 620 N GLY A 959 0.390 6.342 5.285 1.00 0.00 N ATOM 621 CA GLY A 959 1.532 5.759 5.972 1.00 0.00 C ATOM 622 C GLY A 959 1.111 4.681 6.950 1.00 0.00 C ATOM 623 O GLY A 959 1.716 3.609 7.016 1.00 0.00 O ATOM 0 H GLY A 959 0.187 7.313 5.524 1.00 0.00 H new ATOM 0 HA2 GLY A 959 2.220 5.337 5.239 1.00 0.00 H new ATOM 0 HA3 GLY A 959 2.074 6.541 6.504 1.00 0.00 H new ATOM 627 N LEU A 960 0.059 4.967 7.709 1.00 0.00 N ATOM 628 CA LEU A 960 -0.575 3.960 8.556 1.00 0.00 C ATOM 629 C LEU A 960 -1.188 2.851 7.704 1.00 0.00 C ATOM 630 O LEU A 960 -1.416 1.737 8.178 1.00 0.00 O ATOM 631 CB LEU A 960 -1.643 4.599 9.454 1.00 0.00 C ATOM 632 CG LEU A 960 -1.128 5.260 10.742 1.00 0.00 C ATOM 633 CD1 LEU A 960 -0.146 6.384 10.443 1.00 0.00 C ATOM 634 CD2 LEU A 960 -2.293 5.786 11.566 1.00 0.00 C ATOM 0 H LEU A 960 -0.374 5.889 7.756 1.00 0.00 H new ATOM 0 HA LEU A 960 0.192 3.521 9.195 1.00 0.00 H new ATOM 0 HB2 LEU A 960 -2.178 5.350 8.872 1.00 0.00 H new ATOM 0 HB3 LEU A 960 -2.367 3.832 9.727 1.00 0.00 H new ATOM 0 HG LEU A 960 -0.598 4.499 11.315 1.00 0.00 H new ATOM 0 HD11 LEU A 960 0.196 6.827 11.378 1.00 0.00 H new ATOM 0 HD12 LEU A 960 0.709 5.985 9.897 1.00 0.00 H new ATOM 0 HD13 LEU A 960 -0.638 7.146 9.839 1.00 0.00 H new ATOM 0 HD21 LEU A 960 -1.914 6.252 12.476 1.00 0.00 H new ATOM 0 HD22 LEU A 960 -2.847 6.523 10.984 1.00 0.00 H new ATOM 0 HD23 LEU A 960 -2.954 4.961 11.829 1.00 0.00 H new ATOM 646 N ALA A 961 -1.444 3.169 6.443 1.00 0.00 N ATOM 647 CA ALA A 961 -1.981 2.193 5.505 1.00 0.00 C ATOM 648 C ALA A 961 -1.010 1.037 5.281 1.00 0.00 C ATOM 649 O ALA A 961 -1.395 -0.117 5.436 1.00 0.00 O ATOM 650 CB ALA A 961 -2.347 2.837 4.188 1.00 0.00 C ATOM 0 H ALA A 961 -1.289 4.095 6.046 1.00 0.00 H new ATOM 0 HA ALA A 961 -2.890 1.789 5.951 1.00 0.00 H new ATOM 0 HB1 ALA A 961 -2.744 2.081 3.511 1.00 0.00 H new ATOM 0 HB2 ALA A 961 -3.101 3.606 4.356 1.00 0.00 H new ATOM 0 HB3 ALA A 961 -1.460 3.290 3.745 1.00 0.00 H new ATOM 656 N LEU A 962 0.247 1.317 4.923 1.00 0.00 N ATOM 657 CA LEU A 962 1.198 0.227 4.756 1.00 0.00 C ATOM 658 C LEU A 962 1.588 -0.348 6.125 1.00 0.00 C ATOM 659 O LEU A 962 1.907 -1.523 6.226 1.00 0.00 O ATOM 660 CB LEU A 962 2.409 0.678 3.914 1.00 0.00 C ATOM 661 CG LEU A 962 3.530 -0.353 3.666 1.00 0.00 C ATOM 662 CD1 LEU A 962 4.477 -0.449 4.853 1.00 0.00 C ATOM 663 CD2 LEU A 962 2.944 -1.717 3.345 1.00 0.00 C ATOM 0 H LEU A 962 0.615 2.253 4.750 1.00 0.00 H new ATOM 0 HA LEU A 962 0.729 -0.582 4.197 1.00 0.00 H new ATOM 0 HB2 LEU A 962 2.039 1.011 2.945 1.00 0.00 H new ATOM 0 HB3 LEU A 962 2.853 1.546 4.402 1.00 0.00 H new ATOM 0 HG LEU A 962 4.106 -0.008 2.808 1.00 0.00 H new ATOM 0 HD11 LEU A 962 5.253 -1.185 4.641 1.00 0.00 H new ATOM 0 HD12 LEU A 962 4.938 0.523 5.031 1.00 0.00 H new ATOM 0 HD13 LEU A 962 3.920 -0.754 5.739 1.00 0.00 H new ATOM 0 HD21 LEU A 962 3.752 -2.429 3.174 1.00 0.00 H new ATOM 0 HD22 LEU A 962 2.333 -2.056 4.181 1.00 0.00 H new ATOM 0 HD23 LEU A 962 2.327 -1.646 2.449 1.00 0.00 H new ATOM 675 N ARG A 963 1.556 0.466 7.185 1.00 0.00 N ATOM 676 CA ARG A 963 1.718 -0.059 8.548 1.00 0.00 C ATOM 677 C ARG A 963 0.708 -1.172 8.851 1.00 0.00 C ATOM 678 O ARG A 963 1.092 -2.292 9.192 1.00 0.00 O ATOM 679 CB ARG A 963 1.568 1.062 9.581 1.00 0.00 C ATOM 680 CG ARG A 963 2.796 1.948 9.722 1.00 0.00 C ATOM 681 CD ARG A 963 2.577 3.018 10.785 1.00 0.00 C ATOM 682 NE ARG A 963 2.105 2.441 12.046 1.00 0.00 N ATOM 683 CZ ARG A 963 1.449 3.127 12.983 1.00 0.00 C ATOM 684 NH1 ARG A 963 1.303 4.442 12.876 1.00 0.00 N ATOM 685 NH2 ARG A 963 0.962 2.502 14.048 1.00 0.00 N ATOM 0 H ARG A 963 1.422 1.476 7.130 1.00 0.00 H new ATOM 0 HA ARG A 963 2.722 -0.479 8.612 1.00 0.00 H new ATOM 0 HB2 ARG A 963 0.715 1.683 9.306 1.00 0.00 H new ATOM 0 HB3 ARG A 963 1.340 0.619 10.551 1.00 0.00 H new ATOM 0 HG2 ARG A 963 3.660 1.339 9.987 1.00 0.00 H new ATOM 0 HG3 ARG A 963 3.020 2.421 8.766 1.00 0.00 H new ATOM 0 HD2 ARG A 963 3.509 3.556 10.957 1.00 0.00 H new ATOM 0 HD3 ARG A 963 1.851 3.746 10.424 1.00 0.00 H new ATOM 0 HE ARG A 963 2.290 1.453 12.218 1.00 0.00 H new ATOM 0 HH11 ARG A 963 1.694 4.935 12.073 1.00 0.00 H new ATOM 0 HH12 ARG A 963 0.800 4.960 13.597 1.00 0.00 H new ATOM 0 HH21 ARG A 963 1.089 1.495 14.151 1.00 0.00 H new ATOM 0 HH22 ARG A 963 0.461 3.029 14.763 1.00 0.00 H new ATOM 699 N THR A 964 -0.576 -0.851 8.764 1.00 0.00 N ATOM 700 CA THR A 964 -1.616 -1.863 8.930 1.00 0.00 C ATOM 701 C THR A 964 -1.410 -3.011 7.943 1.00 0.00 C ATOM 702 O THR A 964 -1.602 -4.183 8.276 1.00 0.00 O ATOM 703 CB THR A 964 -3.034 -1.279 8.755 1.00 0.00 C ATOM 704 OG1 THR A 964 -3.098 -0.459 7.585 1.00 0.00 O ATOM 705 CG2 THR A 964 -3.441 -0.465 9.970 1.00 0.00 C ATOM 0 H THR A 964 -0.922 0.091 8.582 1.00 0.00 H new ATOM 0 HA THR A 964 -1.532 -2.237 9.950 1.00 0.00 H new ATOM 0 HB THR A 964 -3.726 -2.114 8.646 1.00 0.00 H new ATOM 0 HG1 THR A 964 -2.656 0.398 7.761 1.00 0.00 H new ATOM 0 HG21 THR A 964 -4.444 -0.065 9.821 1.00 0.00 H new ATOM 0 HG22 THR A 964 -3.432 -1.102 10.854 1.00 0.00 H new ATOM 0 HG23 THR A 964 -2.739 0.357 10.109 1.00 0.00 H new ATOM 713 N LEU A 965 -0.983 -2.659 6.741 1.00 0.00 N ATOM 714 CA LEU A 965 -0.718 -3.634 5.697 1.00 0.00 C ATOM 715 C LEU A 965 0.459 -4.534 6.074 1.00 0.00 C ATOM 716 O LEU A 965 0.531 -5.680 5.645 1.00 0.00 O ATOM 717 CB LEU A 965 -0.458 -2.921 4.370 1.00 0.00 C ATOM 718 CG LEU A 965 -0.197 -3.836 3.177 1.00 0.00 C ATOM 719 CD1 LEU A 965 -1.278 -4.898 3.075 1.00 0.00 C ATOM 720 CD2 LEU A 965 -0.132 -3.018 1.902 1.00 0.00 C ATOM 0 H LEU A 965 -0.811 -1.693 6.463 1.00 0.00 H new ATOM 0 HA LEU A 965 -1.596 -4.270 5.584 1.00 0.00 H new ATOM 0 HB2 LEU A 965 -1.317 -2.290 4.141 1.00 0.00 H new ATOM 0 HB3 LEU A 965 0.400 -2.260 4.494 1.00 0.00 H new ATOM 0 HG LEU A 965 0.760 -4.337 3.321 1.00 0.00 H new ATOM 0 HD11 LEU A 965 -1.076 -5.542 2.219 1.00 0.00 H new ATOM 0 HD12 LEU A 965 -1.286 -5.497 3.985 1.00 0.00 H new ATOM 0 HD13 LEU A 965 -2.248 -4.418 2.947 1.00 0.00 H new ATOM 0 HD21 LEU A 965 0.055 -3.678 1.055 1.00 0.00 H new ATOM 0 HD22 LEU A 965 -1.078 -2.498 1.755 1.00 0.00 H new ATOM 0 HD23 LEU A 965 0.675 -2.289 1.978 1.00 0.00 H new ATOM 732 N LEU A 966 1.369 -4.010 6.883 1.00 0.00 N ATOM 733 CA LEU A 966 2.528 -4.768 7.340 1.00 0.00 C ATOM 734 C LEU A 966 2.076 -5.940 8.211 1.00 0.00 C ATOM 735 O LEU A 966 2.675 -7.015 8.183 1.00 0.00 O ATOM 736 CB LEU A 966 3.502 -3.865 8.106 1.00 0.00 C ATOM 737 CG LEU A 966 4.811 -4.530 8.537 1.00 0.00 C ATOM 738 CD1 LEU A 966 5.607 -4.987 7.326 1.00 0.00 C ATOM 739 CD2 LEU A 966 5.632 -3.573 9.387 1.00 0.00 C ATOM 0 H LEU A 966 1.327 -3.055 7.239 1.00 0.00 H new ATOM 0 HA LEU A 966 3.052 -5.162 6.469 1.00 0.00 H new ATOM 0 HB2 LEU A 966 3.740 -3.004 7.482 1.00 0.00 H new ATOM 0 HB3 LEU A 966 2.997 -3.485 8.994 1.00 0.00 H new ATOM 0 HG LEU A 966 4.571 -5.409 9.135 1.00 0.00 H new ATOM 0 HD11 LEU A 966 6.534 -5.457 7.656 1.00 0.00 H new ATOM 0 HD12 LEU A 966 5.019 -5.705 6.754 1.00 0.00 H new ATOM 0 HD13 LEU A 966 5.840 -4.127 6.698 1.00 0.00 H new ATOM 0 HD21 LEU A 966 6.561 -4.058 9.687 1.00 0.00 H new ATOM 0 HD22 LEU A 966 5.861 -2.678 8.809 1.00 0.00 H new ATOM 0 HD23 LEU A 966 5.064 -3.296 10.275 1.00 0.00 H new ATOM 751 N ALA A 967 1.004 -5.731 8.971 1.00 0.00 N ATOM 752 CA ALA A 967 0.396 -6.815 9.736 1.00 0.00 C ATOM 753 C ALA A 967 -0.116 -7.893 8.784 1.00 0.00 C ATOM 754 O ALA A 967 -0.016 -9.093 9.053 1.00 0.00 O ATOM 755 CB ALA A 967 -0.737 -6.287 10.605 1.00 0.00 C ATOM 0 H ALA A 967 0.541 -4.828 9.073 1.00 0.00 H new ATOM 0 HA ALA A 967 1.150 -7.251 10.392 1.00 0.00 H new ATOM 0 HB1 ALA A 967 -1.178 -7.110 11.168 1.00 0.00 H new ATOM 0 HB2 ALA A 967 -0.347 -5.541 11.298 1.00 0.00 H new ATOM 0 HB3 ALA A 967 -1.499 -5.831 9.972 1.00 0.00 H new ATOM 761 N THR A 968 -0.665 -7.443 7.668 1.00 0.00 N ATOM 762 CA THR A 968 -1.084 -8.331 6.596 1.00 0.00 C ATOM 763 C THR A 968 0.121 -9.009 5.942 1.00 0.00 C ATOM 764 O THR A 968 0.074 -10.189 5.591 1.00 0.00 O ATOM 765 CB THR A 968 -1.883 -7.554 5.539 1.00 0.00 C ATOM 766 OG1 THR A 968 -3.196 -7.296 6.026 1.00 0.00 O ATOM 767 CG2 THR A 968 -1.964 -8.311 4.233 1.00 0.00 C ATOM 0 H THR A 968 -0.833 -6.455 7.480 1.00 0.00 H new ATOM 0 HA THR A 968 -1.721 -9.102 7.029 1.00 0.00 H new ATOM 0 HB THR A 968 -1.364 -6.614 5.350 1.00 0.00 H new ATOM 0 HG1 THR A 968 -3.855 -7.641 5.388 1.00 0.00 H new ATOM 0 HG21 THR A 968 -2.537 -7.730 3.510 1.00 0.00 H new ATOM 0 HG22 THR A 968 -0.959 -8.480 3.847 1.00 0.00 H new ATOM 0 HG23 THR A 968 -2.455 -9.270 4.398 1.00 0.00 H new ATOM 775 N VAL A 969 1.191 -8.248 5.772 1.00 0.00 N ATOM 776 CA VAL A 969 2.439 -8.792 5.263 1.00 0.00 C ATOM 777 C VAL A 969 2.891 -9.978 6.112 1.00 0.00 C ATOM 778 O VAL A 969 3.379 -10.965 5.582 1.00 0.00 O ATOM 779 CB VAL A 969 3.554 -7.720 5.220 1.00 0.00 C ATOM 780 CG1 VAL A 969 4.894 -8.334 4.843 1.00 0.00 C ATOM 781 CG2 VAL A 969 3.192 -6.615 4.241 1.00 0.00 C ATOM 0 H VAL A 969 1.219 -7.250 5.980 1.00 0.00 H new ATOM 0 HA VAL A 969 2.256 -9.129 4.243 1.00 0.00 H new ATOM 0 HB VAL A 969 3.644 -7.293 6.219 1.00 0.00 H new ATOM 0 HG11 VAL A 969 5.657 -7.556 4.821 1.00 0.00 H new ATOM 0 HG12 VAL A 969 5.168 -9.090 5.579 1.00 0.00 H new ATOM 0 HG13 VAL A 969 4.818 -8.796 3.859 1.00 0.00 H new ATOM 0 HG21 VAL A 969 3.987 -5.870 4.223 1.00 0.00 H new ATOM 0 HG22 VAL A 969 3.069 -7.038 3.244 1.00 0.00 H new ATOM 0 HG23 VAL A 969 2.260 -6.144 4.553 1.00 0.00 H new ATOM 791 N ASP A 970 2.675 -9.894 7.419 1.00 0.00 N ATOM 792 CA ASP A 970 3.053 -10.970 8.341 1.00 0.00 C ATOM 793 C ASP A 970 2.143 -12.186 8.191 1.00 0.00 C ATOM 794 O ASP A 970 2.521 -13.289 8.550 1.00 0.00 O ATOM 795 CB ASP A 970 3.044 -10.453 9.783 1.00 0.00 C ATOM 796 CG ASP A 970 3.489 -11.497 10.788 1.00 0.00 C ATOM 797 OD1 ASP A 970 4.695 -11.815 10.827 1.00 0.00 O ATOM 798 OD2 ASP A 970 2.633 -11.988 11.556 1.00 0.00 O ATOM 0 H ASP A 970 2.238 -9.090 7.871 1.00 0.00 H new ATOM 0 HA ASP A 970 4.063 -11.292 8.089 1.00 0.00 H new ATOM 0 HB2 ASP A 970 3.698 -9.584 9.856 1.00 0.00 H new ATOM 0 HB3 ASP A 970 2.039 -10.117 10.037 1.00 0.00 H new ATOM 803 N GLU A 971 0.946 -11.983 7.671 1.00 0.00 N ATOM 804 CA GLU A 971 0.102 -13.109 7.269 1.00 0.00 C ATOM 805 C GLU A 971 0.786 -13.821 6.102 1.00 0.00 C ATOM 806 O GLU A 971 1.057 -15.031 6.110 1.00 0.00 O ATOM 807 CB GLU A 971 -1.272 -12.616 6.808 1.00 0.00 C ATOM 808 CG GLU A 971 -1.946 -11.638 7.757 1.00 0.00 C ATOM 809 CD GLU A 971 -2.693 -12.316 8.883 1.00 0.00 C ATOM 810 OE1 GLU A 971 -3.236 -13.419 8.664 1.00 0.00 O ATOM 811 OE2 GLU A 971 -2.781 -11.725 9.980 1.00 0.00 O ATOM 0 H GLU A 971 0.534 -11.063 7.516 1.00 0.00 H new ATOM 0 HA GLU A 971 -0.034 -13.781 8.117 1.00 0.00 H new ATOM 0 HB2 GLU A 971 -1.164 -12.140 5.833 1.00 0.00 H new ATOM 0 HB3 GLU A 971 -1.925 -13.478 6.671 1.00 0.00 H new ATOM 0 HG2 GLU A 971 -1.192 -10.974 8.179 1.00 0.00 H new ATOM 0 HG3 GLU A 971 -2.640 -11.015 7.193 1.00 0.00 H new ATOM 818 N SER A 972 1.101 -13.013 5.112 1.00 0.00 N ATOM 819 CA SER A 972 1.729 -13.467 3.896 1.00 0.00 C ATOM 820 C SER A 972 3.148 -13.993 4.148 1.00 0.00 C ATOM 821 O SER A 972 3.660 -14.778 3.360 1.00 0.00 O ATOM 822 CB SER A 972 1.725 -12.334 2.872 1.00 0.00 C ATOM 823 OG SER A 972 2.379 -12.722 1.681 1.00 0.00 O ATOM 0 H SER A 972 0.924 -12.009 5.133 1.00 0.00 H new ATOM 0 HA SER A 972 1.157 -14.306 3.500 1.00 0.00 H new ATOM 0 HB2 SER A 972 0.698 -12.045 2.649 1.00 0.00 H new ATOM 0 HB3 SER A 972 2.218 -11.458 3.293 1.00 0.00 H new ATOM 0 HG SER A 972 3.349 -12.650 1.802 1.00 0.00 H new ATOM 829 N LEU A 973 3.797 -13.522 5.212 1.00 0.00 N ATOM 830 CA LEU A 973 5.173 -13.921 5.521 1.00 0.00 C ATOM 831 C LEU A 973 5.315 -15.425 5.777 1.00 0.00 C ATOM 832 O LEU A 973 6.187 -16.032 5.190 1.00 0.00 O ATOM 833 CB LEU A 973 5.749 -13.116 6.690 1.00 0.00 C ATOM 834 CG LEU A 973 6.119 -11.665 6.364 1.00 0.00 C ATOM 835 CD1 LEU A 973 6.640 -10.953 7.602 1.00 0.00 C ATOM 836 CD2 LEU A 973 7.153 -11.614 5.248 1.00 0.00 C ATOM 0 H LEU A 973 3.393 -12.862 5.877 1.00 0.00 H new ATOM 0 HA LEU A 973 5.756 -13.693 4.629 1.00 0.00 H new ATOM 0 HB2 LEU A 973 5.022 -13.115 7.502 1.00 0.00 H new ATOM 0 HB3 LEU A 973 6.639 -13.627 7.059 1.00 0.00 H new ATOM 0 HG LEU A 973 5.219 -11.152 6.025 1.00 0.00 H new ATOM 0 HD11 LEU A 973 6.897 -9.924 7.349 1.00 0.00 H new ATOM 0 HD12 LEU A 973 5.871 -10.955 8.374 1.00 0.00 H new ATOM 0 HD13 LEU A 973 7.527 -11.468 7.972 1.00 0.00 H new ATOM 0 HD21 LEU A 973 7.403 -10.576 5.031 1.00 0.00 H new ATOM 0 HD22 LEU A 973 8.052 -12.146 5.560 1.00 0.00 H new ATOM 0 HD23 LEU A 973 6.746 -12.084 4.353 1.00 0.00 H new ATOM 848 N PRO A 974 4.513 -16.073 6.652 1.00 0.00 N ATOM 849 CA PRO A 974 4.493 -17.538 6.711 1.00 0.00 C ATOM 850 C PRO A 974 4.152 -18.136 5.353 1.00 0.00 C ATOM 851 O PRO A 974 4.616 -19.228 4.990 1.00 0.00 O ATOM 852 CB PRO A 974 3.397 -17.852 7.729 1.00 0.00 C ATOM 853 CG PRO A 974 3.347 -16.644 8.587 1.00 0.00 C ATOM 854 CD PRO A 974 3.656 -15.489 7.675 1.00 0.00 C ATOM 0 HA PRO A 974 5.461 -17.956 6.989 1.00 0.00 H new ATOM 0 HB2 PRO A 974 2.440 -18.035 7.241 1.00 0.00 H new ATOM 0 HB3 PRO A 974 3.635 -18.744 8.309 1.00 0.00 H new ATOM 0 HG2 PRO A 974 2.365 -16.529 9.046 1.00 0.00 H new ATOM 0 HG3 PRO A 974 4.073 -16.709 9.398 1.00 0.00 H new ATOM 0 HD2 PRO A 974 2.749 -15.067 7.243 1.00 0.00 H new ATOM 0 HD3 PRO A 974 4.161 -14.683 8.207 1.00 0.00 H new ATOM 862 N VAL A 975 3.368 -17.404 4.574 1.00 0.00 N ATOM 863 CA VAL A 975 3.054 -17.864 3.225 1.00 0.00 C ATOM 864 C VAL A 975 4.253 -17.654 2.282 1.00 0.00 C ATOM 865 O VAL A 975 4.297 -18.203 1.181 1.00 0.00 O ATOM 866 CB VAL A 975 1.799 -17.176 2.662 1.00 0.00 C ATOM 867 CG1 VAL A 975 1.266 -17.962 1.484 1.00 0.00 C ATOM 868 CG2 VAL A 975 0.729 -17.035 3.733 1.00 0.00 C ATOM 0 H VAL A 975 2.947 -16.514 4.840 1.00 0.00 H new ATOM 0 HA VAL A 975 2.843 -18.931 3.289 1.00 0.00 H new ATOM 0 HB VAL A 975 2.074 -16.176 2.328 1.00 0.00 H new ATOM 0 HG11 VAL A 975 0.377 -17.469 1.090 1.00 0.00 H new ATOM 0 HG12 VAL A 975 2.028 -18.013 0.706 1.00 0.00 H new ATOM 0 HG13 VAL A 975 1.009 -18.971 1.806 1.00 0.00 H new ATOM 0 HG21 VAL A 975 -0.148 -16.546 3.309 1.00 0.00 H new ATOM 0 HG22 VAL A 975 0.451 -18.022 4.102 1.00 0.00 H new ATOM 0 HG23 VAL A 975 1.116 -16.436 4.557 1.00 0.00 H new ATOM 878 N LEU A 976 5.231 -16.872 2.730 1.00 0.00 N ATOM 879 CA LEU A 976 6.474 -16.663 1.986 1.00 0.00 C ATOM 880 C LEU A 976 7.270 -17.970 1.860 1.00 0.00 C ATOM 881 O LEU A 976 7.579 -18.373 0.738 1.00 0.00 O ATOM 882 CB LEU A 976 7.293 -15.514 2.623 1.00 0.00 C ATOM 883 CG LEU A 976 8.733 -15.301 2.127 1.00 0.00 C ATOM 884 CD1 LEU A 976 9.152 -13.856 2.346 1.00 0.00 C ATOM 885 CD2 LEU A 976 9.714 -16.216 2.847 1.00 0.00 C ATOM 0 H LEU A 976 5.187 -16.366 3.615 1.00 0.00 H new ATOM 0 HA LEU A 976 6.233 -16.357 0.968 1.00 0.00 H new ATOM 0 HB2 LEU A 976 6.744 -14.585 2.468 1.00 0.00 H new ATOM 0 HB3 LEU A 976 7.331 -15.686 3.699 1.00 0.00 H new ATOM 0 HG LEU A 976 8.752 -15.540 1.064 1.00 0.00 H new ATOM 0 HD11 LEU A 976 10.173 -13.716 1.992 1.00 0.00 H new ATOM 0 HD12 LEU A 976 8.483 -13.196 1.795 1.00 0.00 H new ATOM 0 HD13 LEU A 976 9.101 -13.620 3.409 1.00 0.00 H new ATOM 0 HD21 LEU A 976 10.721 -16.038 2.471 1.00 0.00 H new ATOM 0 HD22 LEU A 976 9.685 -16.011 3.917 1.00 0.00 H new ATOM 0 HD23 LEU A 976 9.439 -17.256 2.669 1.00 0.00 H new ATOM 897 N PRO A 977 7.614 -18.674 2.972 1.00 0.00 N ATOM 898 CA PRO A 977 8.274 -19.981 2.881 1.00 0.00 C ATOM 899 C PRO A 977 7.452 -20.960 2.062 1.00 0.00 C ATOM 900 O PRO A 977 8.000 -21.827 1.383 1.00 0.00 O ATOM 901 CB PRO A 977 8.372 -20.454 4.330 1.00 0.00 C ATOM 902 CG PRO A 977 8.327 -19.206 5.132 1.00 0.00 C ATOM 903 CD PRO A 977 7.436 -18.271 4.372 1.00 0.00 C ATOM 0 HA PRO A 977 9.244 -19.914 2.388 1.00 0.00 H new ATOM 0 HB2 PRO A 977 7.549 -21.121 4.587 1.00 0.00 H new ATOM 0 HB3 PRO A 977 9.295 -21.006 4.506 1.00 0.00 H new ATOM 0 HG2 PRO A 977 7.935 -19.396 6.131 1.00 0.00 H new ATOM 0 HG3 PRO A 977 9.324 -18.783 5.256 1.00 0.00 H new ATOM 0 HD2 PRO A 977 6.397 -18.366 4.686 1.00 0.00 H new ATOM 0 HD3 PRO A 977 7.722 -17.231 4.528 1.00 0.00 H new ATOM 911 N ALA A 978 6.132 -20.814 2.130 1.00 0.00 N ATOM 912 CA ALA A 978 5.245 -21.612 1.299 1.00 0.00 C ATOM 913 C ALA A 978 5.472 -21.318 -0.186 1.00 0.00 C ATOM 914 O ALA A 978 5.922 -22.185 -0.934 1.00 0.00 O ATOM 915 CB ALA A 978 3.792 -21.371 1.678 1.00 0.00 C ATOM 0 H ALA A 978 5.658 -20.155 2.748 1.00 0.00 H new ATOM 0 HA ALA A 978 5.475 -22.663 1.474 1.00 0.00 H new ATOM 0 HB1 ALA A 978 3.145 -21.978 1.044 1.00 0.00 H new ATOM 0 HB2 ALA A 978 3.638 -21.645 2.722 1.00 0.00 H new ATOM 0 HB3 ALA A 978 3.550 -20.317 1.540 1.00 0.00 H new ATOM 921 N SER A 979 5.178 -20.092 -0.614 1.00 0.00 N ATOM 922 CA SER A 979 5.259 -19.752 -2.033 1.00 0.00 C ATOM 923 C SER A 979 5.417 -18.246 -2.273 1.00 0.00 C ATOM 924 O SER A 979 6.140 -17.831 -3.181 1.00 0.00 O ATOM 925 CB SER A 979 4.011 -20.270 -2.749 1.00 0.00 C ATOM 926 OG SER A 979 4.091 -21.667 -2.973 1.00 0.00 O ATOM 0 H SER A 979 4.885 -19.326 -0.007 1.00 0.00 H new ATOM 0 HA SER A 979 6.152 -20.230 -2.435 1.00 0.00 H new ATOM 0 HB2 SER A 979 3.127 -20.045 -2.153 1.00 0.00 H new ATOM 0 HB3 SER A 979 3.894 -19.753 -3.701 1.00 0.00 H new ATOM 0 HG SER A 979 4.816 -22.044 -2.433 1.00 0.00 H new ATOM 932 N THR A 980 4.755 -17.440 -1.450 1.00 0.00 N ATOM 933 CA THR A 980 4.705 -15.985 -1.626 1.00 0.00 C ATOM 934 C THR A 980 6.081 -15.312 -1.699 1.00 0.00 C ATOM 935 O THR A 980 6.175 -14.192 -2.185 1.00 0.00 O ATOM 936 CB THR A 980 3.885 -15.320 -0.515 1.00 0.00 C ATOM 937 OG1 THR A 980 2.707 -16.083 -0.279 1.00 0.00 O ATOM 938 CG2 THR A 980 3.489 -13.906 -0.915 1.00 0.00 C ATOM 0 H THR A 980 4.235 -17.774 -0.638 1.00 0.00 H new ATOM 0 HA THR A 980 4.224 -15.840 -2.593 1.00 0.00 H new ATOM 0 HB THR A 980 4.493 -15.275 0.389 1.00 0.00 H new ATOM 0 HG1 THR A 980 2.197 -15.679 0.454 1.00 0.00 H new ATOM 0 HG21 THR A 980 2.908 -13.450 -0.113 1.00 0.00 H new ATOM 0 HG22 THR A 980 4.386 -13.314 -1.094 1.00 0.00 H new ATOM 0 HG23 THR A 980 2.889 -13.940 -1.824 1.00 0.00 H new ATOM 946 N HIS A 981 7.137 -15.986 -1.235 1.00 0.00 N ATOM 947 CA HIS A 981 8.493 -15.395 -1.181 1.00 0.00 C ATOM 948 C HIS A 981 8.913 -14.727 -2.497 1.00 0.00 C ATOM 949 O HIS A 981 9.815 -13.896 -2.504 1.00 0.00 O ATOM 950 CB HIS A 981 9.540 -16.460 -0.805 1.00 0.00 C ATOM 951 CG HIS A 981 9.634 -17.623 -1.754 1.00 0.00 C ATOM 952 ND1 HIS A 981 9.068 -18.853 -1.489 1.00 0.00 N ATOM 953 CD2 HIS A 981 10.238 -17.744 -2.962 1.00 0.00 C ATOM 954 CE1 HIS A 981 9.321 -19.678 -2.489 1.00 0.00 C ATOM 955 NE2 HIS A 981 10.026 -19.029 -3.394 1.00 0.00 N ATOM 0 H HIS A 981 7.087 -16.944 -0.889 1.00 0.00 H new ATOM 0 HA HIS A 981 8.449 -14.622 -0.414 1.00 0.00 H new ATOM 0 HB2 HIS A 981 10.517 -15.981 -0.743 1.00 0.00 H new ATOM 0 HB3 HIS A 981 9.308 -16.840 0.190 1.00 0.00 H new ATOM 0 HD1 HIS A 981 8.537 -19.089 -0.651 1.00 0.00 H new ATOM 0 HD2 HIS A 981 10.784 -16.973 -3.486 1.00 0.00 H new ATOM 0 HE1 HIS A 981 9.004 -20.708 -2.554 1.00 0.00 H new ATOM 964 N ARG A 982 8.270 -15.085 -3.594 1.00 0.00 N ATOM 965 CA ARG A 982 8.552 -14.428 -4.868 1.00 0.00 C ATOM 966 C ARG A 982 7.857 -13.060 -4.923 1.00 0.00 C ATOM 967 O ARG A 982 8.489 -12.007 -5.087 1.00 0.00 O ATOM 968 CB ARG A 982 8.042 -15.284 -6.031 1.00 0.00 C ATOM 969 CG ARG A 982 8.707 -16.643 -6.165 1.00 0.00 C ATOM 970 CD ARG A 982 8.007 -17.477 -7.230 1.00 0.00 C ATOM 971 NE ARG A 982 8.680 -18.750 -7.486 1.00 0.00 N ATOM 972 CZ ARG A 982 8.038 -19.888 -7.759 1.00 0.00 C ATOM 973 NH1 ARG A 982 6.713 -19.943 -7.693 1.00 0.00 N ATOM 974 NH2 ARG A 982 8.722 -20.978 -8.079 1.00 0.00 N ATOM 0 H ARG A 982 7.559 -15.815 -3.635 1.00 0.00 H new ATOM 0 HA ARG A 982 9.631 -14.298 -4.953 1.00 0.00 H new ATOM 0 HB2 ARG A 982 6.969 -15.431 -5.911 1.00 0.00 H new ATOM 0 HB3 ARG A 982 8.186 -14.732 -6.960 1.00 0.00 H new ATOM 0 HG2 ARG A 982 9.758 -16.516 -6.426 1.00 0.00 H new ATOM 0 HG3 ARG A 982 8.677 -17.165 -5.208 1.00 0.00 H new ATOM 0 HD2 ARG A 982 6.981 -17.670 -6.917 1.00 0.00 H new ATOM 0 HD3 ARG A 982 7.956 -16.906 -8.157 1.00 0.00 H new ATOM 0 HE ARG A 982 9.699 -18.769 -7.454 1.00 0.00 H new ATOM 0 HH11 ARG A 982 6.180 -19.113 -7.433 1.00 0.00 H new ATOM 0 HH12 ARG A 982 6.228 -20.815 -7.903 1.00 0.00 H new ATOM 0 HH21 ARG A 982 9.741 -20.948 -8.117 1.00 0.00 H new ATOM 0 HH22 ARG A 982 8.229 -21.846 -8.287 1.00 0.00 H new ATOM 988 N GLU A 983 6.552 -13.081 -4.715 1.00 0.00 N ATOM 989 CA GLU A 983 5.746 -11.885 -4.841 1.00 0.00 C ATOM 990 C GLU A 983 5.875 -10.972 -3.637 1.00 0.00 C ATOM 991 O GLU A 983 6.016 -9.759 -3.785 1.00 0.00 O ATOM 992 CB GLU A 983 4.284 -12.242 -5.027 1.00 0.00 C ATOM 993 CG GLU A 983 3.635 -11.434 -6.127 1.00 0.00 C ATOM 994 CD GLU A 983 3.602 -12.189 -7.444 1.00 0.00 C ATOM 995 OE1 GLU A 983 3.455 -13.434 -7.420 1.00 0.00 O ATOM 996 OE2 GLU A 983 3.741 -11.554 -8.509 1.00 0.00 O ATOM 0 H GLU A 983 6.029 -13.918 -4.457 1.00 0.00 H new ATOM 0 HA GLU A 983 6.118 -11.354 -5.717 1.00 0.00 H new ATOM 0 HB2 GLU A 983 4.198 -13.304 -5.259 1.00 0.00 H new ATOM 0 HB3 GLU A 983 3.749 -12.075 -4.092 1.00 0.00 H new ATOM 0 HG2 GLU A 983 2.618 -11.173 -5.833 1.00 0.00 H new ATOM 0 HG3 GLU A 983 4.179 -10.499 -6.259 1.00 0.00 H new ATOM 1003 N ILE A 984 5.802 -11.545 -2.443 1.00 0.00 N ATOM 1004 CA ILE A 984 5.760 -10.745 -1.232 1.00 0.00 C ATOM 1005 C ILE A 984 6.968 -9.831 -1.158 1.00 0.00 C ATOM 1006 O ILE A 984 6.864 -8.708 -0.689 1.00 0.00 O ATOM 1007 CB ILE A 984 5.659 -11.614 0.046 1.00 0.00 C ATOM 1008 CG1 ILE A 984 5.488 -10.742 1.292 1.00 0.00 C ATOM 1009 CG2 ILE A 984 6.888 -12.494 0.200 1.00 0.00 C ATOM 1010 CD1 ILE A 984 4.255 -9.870 1.260 1.00 0.00 C ATOM 0 H ILE A 984 5.771 -12.553 -2.290 1.00 0.00 H new ATOM 0 HA ILE A 984 4.855 -10.139 -1.280 1.00 0.00 H new ATOM 0 HB ILE A 984 4.780 -12.250 -0.058 1.00 0.00 H new ATOM 0 HG12 ILE A 984 5.444 -11.385 2.171 1.00 0.00 H new ATOM 0 HG13 ILE A 984 6.367 -10.108 1.404 1.00 0.00 H new ATOM 0 HG21 ILE A 984 6.794 -13.095 1.104 1.00 0.00 H new ATOM 0 HG22 ILE A 984 6.976 -13.151 -0.665 1.00 0.00 H new ATOM 0 HG23 ILE A 984 7.777 -11.868 0.271 1.00 0.00 H new ATOM 0 HD11 ILE A 984 4.202 -9.281 2.176 1.00 0.00 H new ATOM 0 HD12 ILE A 984 4.305 -9.201 0.401 1.00 0.00 H new ATOM 0 HD13 ILE A 984 3.367 -10.498 1.180 1.00 0.00 H new ATOM 1022 N GLU A 985 8.099 -10.297 -1.660 1.00 0.00 N ATOM 1023 CA GLU A 985 9.299 -9.486 -1.646 1.00 0.00 C ATOM 1024 C GLU A 985 9.230 -8.380 -2.699 1.00 0.00 C ATOM 1025 O GLU A 985 9.721 -7.280 -2.456 1.00 0.00 O ATOM 1026 CB GLU A 985 10.559 -10.349 -1.811 1.00 0.00 C ATOM 1027 CG GLU A 985 10.720 -11.001 -3.173 1.00 0.00 C ATOM 1028 CD GLU A 985 11.701 -10.265 -4.061 1.00 0.00 C ATOM 1029 OE1 GLU A 985 12.921 -10.468 -3.901 1.00 0.00 O ATOM 1030 OE2 GLU A 985 11.259 -9.488 -4.928 1.00 0.00 O ATOM 0 H GLU A 985 8.209 -11.221 -2.077 1.00 0.00 H new ATOM 0 HA GLU A 985 9.364 -9.004 -0.671 1.00 0.00 H new ATOM 0 HB2 GLU A 985 11.434 -9.728 -1.617 1.00 0.00 H new ATOM 0 HB3 GLU A 985 10.548 -11.130 -1.051 1.00 0.00 H new ATOM 0 HG2 GLU A 985 11.056 -12.029 -3.041 1.00 0.00 H new ATOM 0 HG3 GLU A 985 9.750 -11.044 -3.668 1.00 0.00 H new ATOM 1037 N MET A 986 8.598 -8.648 -3.856 1.00 0.00 N ATOM 1038 CA MET A 986 8.601 -7.657 -4.940 1.00 0.00 C ATOM 1039 C MET A 986 7.937 -6.332 -4.522 1.00 0.00 C ATOM 1040 O MET A 986 8.568 -5.271 -4.571 1.00 0.00 O ATOM 1041 CB MET A 986 7.992 -8.202 -6.247 1.00 0.00 C ATOM 1042 CG MET A 986 6.483 -8.357 -6.264 1.00 0.00 C ATOM 1043 SD MET A 986 5.857 -8.803 -7.893 1.00 0.00 S ATOM 1044 CE MET A 986 6.781 -10.305 -8.206 1.00 0.00 C ATOM 0 H MET A 986 8.096 -9.512 -4.059 1.00 0.00 H new ATOM 0 HA MET A 986 9.650 -7.444 -5.145 1.00 0.00 H new ATOM 0 HB2 MET A 986 8.278 -7.538 -7.062 1.00 0.00 H new ATOM 0 HB3 MET A 986 8.439 -9.174 -6.455 1.00 0.00 H new ATOM 0 HG2 MET A 986 6.191 -9.121 -5.544 1.00 0.00 H new ATOM 0 HG3 MET A 986 6.021 -7.423 -5.943 1.00 0.00 H new ATOM 0 HE1 MET A 986 7.582 -10.098 -8.915 1.00 0.00 H new ATOM 0 HE2 MET A 986 7.208 -10.670 -7.272 1.00 0.00 H new ATOM 0 HE3 MET A 986 6.115 -11.062 -8.621 1.00 0.00 H new ATOM 1054 N ALA A 987 6.690 -6.394 -4.075 1.00 0.00 N ATOM 1055 CA ALA A 987 5.946 -5.203 -3.730 1.00 0.00 C ATOM 1056 C ALA A 987 6.340 -4.696 -2.358 1.00 0.00 C ATOM 1057 O ALA A 987 6.354 -3.508 -2.133 1.00 0.00 O ATOM 1058 CB ALA A 987 4.453 -5.463 -3.787 1.00 0.00 C ATOM 0 H ALA A 987 6.175 -7.265 -3.944 1.00 0.00 H new ATOM 0 HA ALA A 987 6.190 -4.434 -4.463 1.00 0.00 H new ATOM 0 HB1 ALA A 987 3.915 -4.552 -3.524 1.00 0.00 H new ATOM 0 HB2 ALA A 987 4.175 -5.770 -4.795 1.00 0.00 H new ATOM 0 HB3 ALA A 987 4.194 -6.254 -3.083 1.00 0.00 H new ATOM 1064 N GLN A 988 6.671 -5.596 -1.441 1.00 0.00 N ATOM 1065 CA GLN A 988 6.990 -5.184 -0.076 1.00 0.00 C ATOM 1066 C GLN A 988 8.201 -4.253 -0.057 1.00 0.00 C ATOM 1067 O GLN A 988 8.196 -3.216 0.608 1.00 0.00 O ATOM 1068 CB GLN A 988 7.263 -6.390 0.816 1.00 0.00 C ATOM 1069 CG GLN A 988 7.534 -6.039 2.268 1.00 0.00 C ATOM 1070 CD GLN A 988 7.988 -7.238 3.080 1.00 0.00 C ATOM 1071 OE1 GLN A 988 7.570 -8.425 2.670 1.00 0.00 O flip ATOM 1072 NE2 GLN A 988 8.718 -7.101 4.060 1.00 0.00 N flip ATOM 0 H GLN A 988 6.726 -6.600 -1.611 1.00 0.00 H new ATOM 0 HA GLN A 988 6.122 -4.650 0.312 1.00 0.00 H new ATOM 0 HB2 GLN A 988 6.407 -7.063 0.770 1.00 0.00 H new ATOM 0 HB3 GLN A 988 8.119 -6.935 0.419 1.00 0.00 H new ATOM 0 HG2 GLN A 988 8.298 -5.262 2.314 1.00 0.00 H new ATOM 0 HG3 GLN A 988 6.630 -5.624 2.713 1.00 0.00 H new ATOM 0 HE21 GLN A 988 9.019 -6.169 4.345 1.00 0.00 H new ATOM 0 HE22 GLN A 988 9.022 -7.919 4.588 1.00 0.00 H new ATOM 1081 N LYS A 989 9.240 -4.639 -0.793 1.00 0.00 N ATOM 1082 CA LYS A 989 10.425 -3.800 -0.945 1.00 0.00 C ATOM 1083 C LYS A 989 10.047 -2.499 -1.634 1.00 0.00 C ATOM 1084 O LYS A 989 10.632 -1.448 -1.380 1.00 0.00 O ATOM 1085 CB LYS A 989 11.489 -4.527 -1.770 1.00 0.00 C ATOM 1086 CG LYS A 989 12.098 -5.727 -1.065 1.00 0.00 C ATOM 1087 CD LYS A 989 13.175 -5.313 -0.080 1.00 0.00 C ATOM 1088 CE LYS A 989 14.373 -4.705 -0.793 1.00 0.00 C ATOM 1089 NZ LYS A 989 14.967 -5.643 -1.787 1.00 0.00 N ATOM 0 H LYS A 989 9.285 -5.527 -1.293 1.00 0.00 H new ATOM 0 HA LYS A 989 10.831 -3.584 0.043 1.00 0.00 H new ATOM 0 HB2 LYS A 989 11.045 -4.856 -2.709 1.00 0.00 H new ATOM 0 HB3 LYS A 989 12.283 -3.824 -2.022 1.00 0.00 H new ATOM 0 HG2 LYS A 989 11.316 -6.276 -0.540 1.00 0.00 H new ATOM 0 HG3 LYS A 989 12.523 -6.406 -1.804 1.00 0.00 H new ATOM 0 HD2 LYS A 989 12.766 -4.592 0.627 1.00 0.00 H new ATOM 0 HD3 LYS A 989 13.495 -6.180 0.498 1.00 0.00 H new ATOM 0 HE2 LYS A 989 14.068 -3.788 -1.297 1.00 0.00 H new ATOM 0 HE3 LYS A 989 15.130 -4.428 -0.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 989 15.911 -5.305 -2.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 989 15.048 -6.590 -1.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 989 14.357 -5.690 -2.628 1.00 0.00 H new ATOM 1103 N LEU A 990 9.048 -2.592 -2.499 1.00 0.00 N ATOM 1104 CA LEU A 990 8.547 -1.447 -3.231 1.00 0.00 C ATOM 1105 C LEU A 990 7.696 -0.545 -2.314 1.00 0.00 C ATOM 1106 O LEU A 990 7.730 0.681 -2.440 1.00 0.00 O ATOM 1107 CB LEU A 990 7.785 -1.971 -4.466 1.00 0.00 C ATOM 1108 CG LEU A 990 6.804 -1.024 -5.151 1.00 0.00 C ATOM 1109 CD1 LEU A 990 7.439 0.327 -5.438 1.00 0.00 C ATOM 1110 CD2 LEU A 990 6.297 -1.632 -6.446 1.00 0.00 C ATOM 0 H LEU A 990 8.564 -3.465 -2.711 1.00 0.00 H new ATOM 0 HA LEU A 990 9.362 -0.812 -3.580 1.00 0.00 H new ATOM 0 HB2 LEU A 990 8.521 -2.283 -5.206 1.00 0.00 H new ATOM 0 HB3 LEU A 990 7.236 -2.864 -4.167 1.00 0.00 H new ATOM 0 HG LEU A 990 5.968 -0.872 -4.469 1.00 0.00 H new ATOM 0 HD11 LEU A 990 6.711 0.975 -5.926 1.00 0.00 H new ATOM 0 HD12 LEU A 990 7.761 0.784 -4.502 1.00 0.00 H new ATOM 0 HD13 LEU A 990 8.301 0.192 -6.092 1.00 0.00 H new ATOM 0 HD21 LEU A 990 5.598 -0.944 -6.922 1.00 0.00 H new ATOM 0 HD22 LEU A 990 7.138 -1.816 -7.115 1.00 0.00 H new ATOM 0 HD23 LEU A 990 5.790 -2.573 -6.232 1.00 0.00 H new ATOM 1122 N LEU A 991 6.995 -1.147 -1.353 1.00 0.00 N ATOM 1123 CA LEU A 991 6.176 -0.391 -0.403 1.00 0.00 C ATOM 1124 C LEU A 991 7.055 0.510 0.438 1.00 0.00 C ATOM 1125 O LEU A 991 6.783 1.700 0.595 1.00 0.00 O ATOM 1126 CB LEU A 991 5.386 -1.315 0.528 1.00 0.00 C ATOM 1127 CG LEU A 991 4.472 -2.332 -0.148 1.00 0.00 C ATOM 1128 CD1 LEU A 991 4.314 -3.552 0.734 1.00 0.00 C ATOM 1129 CD2 LEU A 991 3.103 -1.732 -0.427 1.00 0.00 C ATOM 0 H LEU A 991 6.977 -2.157 -1.211 1.00 0.00 H new ATOM 0 HA LEU A 991 5.471 0.202 -0.985 1.00 0.00 H new ATOM 0 HB2 LEU A 991 6.094 -1.855 1.156 1.00 0.00 H new ATOM 0 HB3 LEU A 991 4.780 -0.697 1.190 1.00 0.00 H new ATOM 0 HG LEU A 991 4.928 -2.619 -1.095 1.00 0.00 H new ATOM 0 HD11 LEU A 991 3.660 -4.273 0.244 1.00 0.00 H new ATOM 0 HD12 LEU A 991 5.290 -4.006 0.906 1.00 0.00 H new ATOM 0 HD13 LEU A 991 3.878 -3.257 1.688 1.00 0.00 H new ATOM 0 HD21 LEU A 991 2.470 -2.477 -0.909 1.00 0.00 H new ATOM 0 HD22 LEU A 991 2.645 -1.419 0.511 1.00 0.00 H new ATOM 0 HD23 LEU A 991 3.211 -0.869 -1.083 1.00 0.00 H new ATOM 1141 N ASN A 992 8.123 -0.068 0.972 1.00 0.00 N ATOM 1142 CA ASN A 992 9.076 0.679 1.778 1.00 0.00 C ATOM 1143 C ASN A 992 9.639 1.831 0.959 1.00 0.00 C ATOM 1144 O ASN A 992 9.819 2.938 1.457 1.00 0.00 O ATOM 1145 CB ASN A 992 10.210 -0.241 2.241 1.00 0.00 C ATOM 1146 CG ASN A 992 11.166 0.439 3.204 1.00 0.00 C ATOM 1147 OD1 ASN A 992 12.144 1.064 2.795 1.00 0.00 O ATOM 1148 ND2 ASN A 992 10.897 0.307 4.493 1.00 0.00 N ATOM 0 H ASN A 992 8.350 -1.056 0.860 1.00 0.00 H new ATOM 0 HA ASN A 992 8.569 1.076 2.658 1.00 0.00 H new ATOM 0 HB2 ASN A 992 9.784 -1.122 2.721 1.00 0.00 H new ATOM 0 HB3 ASN A 992 10.766 -0.590 1.371 1.00 0.00 H new ATOM 0 HD21 ASN A 992 11.511 0.732 5.188 1.00 0.00 H new ATOM 0 HD22 ASN A 992 10.076 -0.219 4.791 1.00 0.00 H new ATOM 1155 N SER A 993 9.864 1.556 -0.317 1.00 0.00 N ATOM 1156 CA SER A 993 10.411 2.532 -1.239 1.00 0.00 C ATOM 1157 C SER A 993 9.512 3.758 -1.376 1.00 0.00 C ATOM 1158 O SER A 993 9.975 4.886 -1.216 1.00 0.00 O ATOM 1159 CB SER A 993 10.631 1.873 -2.609 1.00 0.00 C ATOM 1160 OG SER A 993 10.725 2.834 -3.650 1.00 0.00 O ATOM 0 H SER A 993 9.671 0.648 -0.740 1.00 0.00 H new ATOM 0 HA SER A 993 11.364 2.878 -0.839 1.00 0.00 H new ATOM 0 HB2 SER A 993 11.543 1.276 -2.583 1.00 0.00 H new ATOM 0 HB3 SER A 993 9.808 1.189 -2.819 1.00 0.00 H new ATOM 0 HG SER A 993 9.866 2.894 -4.119 1.00 0.00 H new ATOM 1166 N ASP A 994 8.224 3.552 -1.617 1.00 0.00 N ATOM 1167 CA ASP A 994 7.387 4.659 -2.060 1.00 0.00 C ATOM 1168 C ASP A 994 6.431 5.158 -0.978 1.00 0.00 C ATOM 1169 O ASP A 994 6.065 6.334 -0.983 1.00 0.00 O ATOM 1170 CB ASP A 994 6.661 4.296 -3.354 1.00 0.00 C ATOM 1171 CG ASP A 994 7.601 4.360 -4.548 1.00 0.00 C ATOM 1172 OD1 ASP A 994 8.307 3.364 -4.818 1.00 0.00 O ATOM 1173 OD2 ASP A 994 7.666 5.418 -5.211 1.00 0.00 O ATOM 0 H ASP A 994 7.747 2.656 -1.517 1.00 0.00 H new ATOM 0 HA ASP A 994 8.048 5.501 -2.267 1.00 0.00 H new ATOM 0 HB2 ASP A 994 6.243 3.293 -3.270 1.00 0.00 H new ATOM 0 HB3 ASP A 994 5.825 4.978 -3.509 1.00 0.00 H new ATOM 1178 N LEU A 995 6.028 4.293 -0.045 1.00 0.00 N ATOM 1179 CA LEU A 995 5.339 4.771 1.158 1.00 0.00 C ATOM 1180 C LEU A 995 6.234 5.781 1.854 1.00 0.00 C ATOM 1181 O LEU A 995 5.803 6.877 2.211 1.00 0.00 O ATOM 1182 CB LEU A 995 5.015 3.627 2.136 1.00 0.00 C ATOM 1183 CG LEU A 995 4.092 4.000 3.304 1.00 0.00 C ATOM 1184 CD1 LEU A 995 2.644 3.776 2.924 1.00 0.00 C ATOM 1185 CD2 LEU A 995 4.465 3.216 4.552 1.00 0.00 C ATOM 0 H LEU A 995 6.161 3.283 -0.094 1.00 0.00 H new ATOM 0 HA LEU A 995 4.394 5.221 0.854 1.00 0.00 H new ATOM 0 HB2 LEU A 995 4.554 2.813 1.576 1.00 0.00 H new ATOM 0 HB3 LEU A 995 5.951 3.244 2.543 1.00 0.00 H new ATOM 0 HG LEU A 995 4.220 5.059 3.527 1.00 0.00 H new ATOM 0 HD11 LEU A 995 2.002 4.045 3.763 1.00 0.00 H new ATOM 0 HD12 LEU A 995 2.394 4.395 2.062 1.00 0.00 H new ATOM 0 HD13 LEU A 995 2.492 2.726 2.673 1.00 0.00 H new ATOM 0 HD21 LEU A 995 3.799 3.494 5.369 1.00 0.00 H new ATOM 0 HD22 LEU A 995 4.369 2.149 4.353 1.00 0.00 H new ATOM 0 HD23 LEU A 995 5.494 3.442 4.830 1.00 0.00 H new ATOM 1197 N ALA A 996 7.496 5.394 2.013 1.00 0.00 N ATOM 1198 CA ALA A 996 8.484 6.255 2.637 1.00 0.00 C ATOM 1199 C ALA A 996 8.620 7.574 1.897 1.00 0.00 C ATOM 1200 O ALA A 996 8.639 8.635 2.520 1.00 0.00 O ATOM 1201 CB ALA A 996 9.831 5.559 2.743 1.00 0.00 C ATOM 0 H ALA A 996 7.855 4.487 1.716 1.00 0.00 H new ATOM 0 HA ALA A 996 8.133 6.472 3.646 1.00 0.00 H new ATOM 0 HB1 ALA A 996 10.550 6.229 3.214 1.00 0.00 H new ATOM 0 HB2 ALA A 996 9.728 4.656 3.345 1.00 0.00 H new ATOM 0 HB3 ALA A 996 10.182 5.293 1.746 1.00 0.00 H new ATOM 1207 N GLU A 997 8.722 7.528 0.576 1.00 0.00 N ATOM 1208 CA GLU A 997 8.830 8.759 -0.187 1.00 0.00 C ATOM 1209 C GLU A 997 7.598 9.609 -0.028 1.00 0.00 C ATOM 1210 O GLU A 997 7.704 10.820 0.062 1.00 0.00 O ATOM 1211 CB GLU A 997 9.081 8.489 -1.655 1.00 0.00 C ATOM 1212 CG GLU A 997 10.406 7.813 -1.898 1.00 0.00 C ATOM 1213 CD GLU A 997 11.578 8.703 -1.537 1.00 0.00 C ATOM 1214 OE1 GLU A 997 11.958 8.741 -0.350 1.00 0.00 O ATOM 1215 OE2 GLU A 997 12.115 9.378 -2.443 1.00 0.00 O ATOM 0 H GLU A 997 8.732 6.671 0.022 1.00 0.00 H new ATOM 0 HA GLU A 997 9.686 9.302 0.212 1.00 0.00 H new ATOM 0 HB2 GLU A 997 8.280 7.863 -2.048 1.00 0.00 H new ATOM 0 HB3 GLU A 997 9.050 9.430 -2.205 1.00 0.00 H new ATOM 0 HG2 GLU A 997 10.456 6.895 -1.313 1.00 0.00 H new ATOM 0 HG3 GLU A 997 10.479 7.527 -2.947 1.00 0.00 H new ATOM 1222 N LEU A 998 6.438 8.980 0.052 1.00 0.00 N ATOM 1223 CA LEU A 998 5.208 9.733 0.201 1.00 0.00 C ATOM 1224 C LEU A 998 5.210 10.410 1.558 1.00 0.00 C ATOM 1225 O LEU A 998 4.718 11.530 1.715 1.00 0.00 O ATOM 1226 CB LEU A 998 3.978 8.838 0.047 1.00 0.00 C ATOM 1227 CG LEU A 998 2.646 9.587 0.094 1.00 0.00 C ATOM 1228 CD1 LEU A 998 2.577 10.623 -1.018 1.00 0.00 C ATOM 1229 CD2 LEU A 998 1.481 8.618 -0.001 1.00 0.00 C ATOM 0 H LEU A 998 6.323 7.967 0.017 1.00 0.00 H new ATOM 0 HA LEU A 998 5.156 10.484 -0.587 1.00 0.00 H new ATOM 0 HB2 LEU A 998 4.048 8.304 -0.901 1.00 0.00 H new ATOM 0 HB3 LEU A 998 3.988 8.088 0.837 1.00 0.00 H new ATOM 0 HG LEU A 998 2.578 10.106 1.050 1.00 0.00 H new ATOM 0 HD11 LEU A 998 1.622 11.146 -0.969 1.00 0.00 H new ATOM 0 HD12 LEU A 998 3.390 11.339 -0.899 1.00 0.00 H new ATOM 0 HD13 LEU A 998 2.670 10.127 -1.984 1.00 0.00 H new ATOM 0 HD21 LEU A 998 0.543 9.172 0.034 1.00 0.00 H new ATOM 0 HD22 LEU A 998 1.542 8.067 -0.939 1.00 0.00 H new ATOM 0 HD23 LEU A 998 1.521 7.918 0.834 1.00 0.00 H new ATOM 1241 N ILE A 999 5.816 9.735 2.522 1.00 0.00 N ATOM 1242 CA ILE A 999 5.996 10.296 3.862 1.00 0.00 C ATOM 1243 C ILE A 999 6.854 11.562 3.786 1.00 0.00 C ATOM 1244 O ILE A 999 6.616 12.538 4.491 1.00 0.00 O ATOM 1245 CB ILE A 999 6.651 9.277 4.829 1.00 0.00 C ATOM 1246 CG1 ILE A 999 5.724 8.075 5.047 1.00 0.00 C ATOM 1247 CG2 ILE A 999 6.996 9.934 6.161 1.00 0.00 C ATOM 1248 CD1 ILE A 999 6.320 7.001 5.933 1.00 0.00 C ATOM 0 H ILE A 999 6.194 8.795 2.406 1.00 0.00 H new ATOM 0 HA ILE A 999 5.009 10.542 4.254 1.00 0.00 H new ATOM 0 HB ILE A 999 7.578 8.925 4.376 1.00 0.00 H new ATOM 0 HG12 ILE A 999 4.791 8.423 5.490 1.00 0.00 H new ATOM 0 HG13 ILE A 999 5.475 7.639 4.080 1.00 0.00 H new ATOM 0 HG21 ILE A 999 7.454 9.198 6.822 1.00 0.00 H new ATOM 0 HG22 ILE A 999 7.694 10.754 5.992 1.00 0.00 H new ATOM 0 HG23 ILE A 999 6.087 10.320 6.623 1.00 0.00 H new ATOM 0 HD11 ILE A 999 5.608 6.183 6.042 1.00 0.00 H new ATOM 0 HD12 ILE A 999 7.238 6.625 5.482 1.00 0.00 H new ATOM 0 HD13 ILE A 999 6.543 7.421 6.914 1.00 0.00 H new ATOM 1260 N ASN A1000 7.822 11.549 2.888 1.00 0.00 N ATOM 1261 CA ASN A1000 8.687 12.703 2.684 1.00 0.00 C ATOM 1262 C ASN A1000 8.095 13.633 1.649 1.00 0.00 C ATOM 1263 O ASN A1000 8.624 14.704 1.423 1.00 0.00 O ATOM 1264 CB ASN A1000 10.095 12.272 2.250 1.00 0.00 C ATOM 1265 CG ASN A1000 10.863 11.555 3.345 1.00 0.00 C ATOM 1266 OD1 ASN A1000 11.543 12.185 4.154 1.00 0.00 O ATOM 1267 ND2 ASN A1000 10.771 10.234 3.373 1.00 0.00 N ATOM 0 H ASN A1000 8.031 10.752 2.286 1.00 0.00 H new ATOM 0 HA ASN A1000 8.765 13.230 3.635 1.00 0.00 H new ATOM 0 HB2 ASN A1000 10.017 11.618 1.382 1.00 0.00 H new ATOM 0 HB3 ASN A1000 10.657 13.152 1.937 1.00 0.00 H new ATOM 0 HD21 ASN A1000 11.275 9.703 4.083 1.00 0.00 H new ATOM 0 HD22 ASN A1000 10.196 9.748 2.684 1.00 0.00 H new ATOM 1274 N LYS A1001 7.009 13.216 1.012 1.00 0.00 N ATOM 1275 CA LYS A1001 6.298 14.080 0.082 1.00 0.00 C ATOM 1276 C LYS A1001 5.286 14.937 0.824 1.00 0.00 C ATOM 1277 O LYS A1001 5.073 16.086 0.469 1.00 0.00 O ATOM 1278 CB LYS A1001 5.617 13.291 -1.040 1.00 0.00 C ATOM 1279 CG LYS A1001 6.587 12.548 -1.948 1.00 0.00 C ATOM 1280 CD LYS A1001 7.757 13.419 -2.394 1.00 0.00 C ATOM 1281 CE LYS A1001 8.731 12.628 -3.255 1.00 0.00 C ATOM 1282 NZ LYS A1001 10.007 13.359 -3.490 1.00 0.00 N ATOM 0 H LYS A1001 6.603 12.287 1.122 1.00 0.00 H new ATOM 0 HA LYS A1001 7.038 14.728 -0.388 1.00 0.00 H new ATOM 0 HB2 LYS A1001 4.926 12.573 -0.598 1.00 0.00 H new ATOM 0 HB3 LYS A1001 5.022 13.976 -1.644 1.00 0.00 H new ATOM 0 HG2 LYS A1001 6.970 11.672 -1.425 1.00 0.00 H new ATOM 0 HG3 LYS A1001 6.052 12.187 -2.826 1.00 0.00 H new ATOM 0 HD2 LYS A1001 7.384 14.276 -2.955 1.00 0.00 H new ATOM 0 HD3 LYS A1001 8.276 13.812 -1.520 1.00 0.00 H new ATOM 0 HE2 LYS A1001 8.946 11.674 -2.773 1.00 0.00 H new ATOM 0 HE3 LYS A1001 8.263 12.402 -4.213 1.00 0.00 H new ATOM 0 HZ1 LYS A1001 10.636 12.779 -4.081 1.00 0.00 H new ATOM 0 HZ2 LYS A1001 9.808 14.257 -3.975 1.00 0.00 H new ATOM 0 HZ3 LYS A1001 10.469 13.552 -2.579 1.00 0.00 H new ATOM 1296 N MET A1002 4.656 14.375 1.856 1.00 0.00 N ATOM 1297 CA MET A1002 3.795 15.161 2.724 1.00 0.00 C ATOM 1298 C MET A1002 4.667 16.071 3.541 1.00 0.00 C ATOM 1299 O MET A1002 4.338 17.229 3.784 1.00 0.00 O ATOM 1300 CB MET A1002 2.935 14.272 3.637 1.00 0.00 C ATOM 1301 CG MET A1002 3.700 13.401 4.633 1.00 0.00 C ATOM 1302 SD MET A1002 4.161 14.272 6.145 1.00 0.00 S ATOM 1303 CE MET A1002 4.895 12.949 7.103 1.00 0.00 C ATOM 0 H MET A1002 4.728 13.389 2.105 1.00 0.00 H new ATOM 0 HA MET A1002 3.102 15.740 2.114 1.00 0.00 H new ATOM 0 HB2 MET A1002 2.250 14.911 4.194 1.00 0.00 H new ATOM 0 HB3 MET A1002 2.325 13.622 3.009 1.00 0.00 H new ATOM 0 HG2 MET A1002 3.088 12.537 4.893 1.00 0.00 H new ATOM 0 HG3 MET A1002 4.602 13.020 4.153 1.00 0.00 H new ATOM 0 HE1 MET A1002 4.697 13.114 8.162 1.00 0.00 H new ATOM 0 HE2 MET A1002 4.464 11.996 6.797 1.00 0.00 H new ATOM 0 HE3 MET A1002 5.972 12.931 6.933 1.00 0.00 H new ATOM 1313 N LYS A1003 5.803 15.524 3.934 1.00 0.00 N ATOM 1314 CA LYS A1003 6.831 16.285 4.578 1.00 0.00 C ATOM 1315 C LYS A1003 7.289 17.383 3.640 1.00 0.00 C ATOM 1316 O LYS A1003 7.261 18.536 4.007 1.00 0.00 O ATOM 1317 CB LYS A1003 7.990 15.367 4.966 1.00 0.00 C ATOM 1318 CG LYS A1003 9.158 16.080 5.623 1.00 0.00 C ATOM 1319 CD LYS A1003 10.177 15.089 6.153 1.00 0.00 C ATOM 1320 CE LYS A1003 11.414 15.797 6.671 1.00 0.00 C ATOM 1321 NZ LYS A1003 12.251 16.340 5.568 1.00 0.00 N ATOM 0 H LYS A1003 6.029 14.537 3.810 1.00 0.00 H new ATOM 0 HA LYS A1003 6.447 16.741 5.491 1.00 0.00 H new ATOM 0 HB2 LYS A1003 7.619 14.600 5.646 1.00 0.00 H new ATOM 0 HB3 LYS A1003 8.348 14.855 4.073 1.00 0.00 H new ATOM 0 HG2 LYS A1003 9.634 16.745 4.902 1.00 0.00 H new ATOM 0 HG3 LYS A1003 8.794 16.704 6.440 1.00 0.00 H new ATOM 0 HD2 LYS A1003 9.731 14.498 6.953 1.00 0.00 H new ATOM 0 HD3 LYS A1003 10.457 14.394 5.362 1.00 0.00 H new ATOM 0 HE2 LYS A1003 11.115 16.610 7.333 1.00 0.00 H new ATOM 0 HE3 LYS A1003 12.006 15.102 7.267 1.00 0.00 H new ATOM 0 HZ1 LYS A1003 13.156 16.679 5.953 1.00 0.00 H new ATOM 0 HZ2 LYS A1003 12.431 15.592 4.868 1.00 0.00 H new ATOM 0 HZ3 LYS A1003 11.752 17.129 5.110 1.00 0.00 H new ATOM 1335 N LEU A1004 7.682 17.001 2.425 1.00 0.00 N ATOM 1336 CA LEU A1004 8.140 17.943 1.396 1.00 0.00 C ATOM 1337 C LEU A1004 7.100 19.009 1.049 1.00 0.00 C ATOM 1338 O LEU A1004 7.423 20.189 0.976 1.00 0.00 O ATOM 1339 CB LEU A1004 8.512 17.180 0.127 1.00 0.00 C ATOM 1340 CG LEU A1004 9.410 17.927 -0.855 1.00 0.00 C ATOM 1341 CD1 LEU A1004 10.785 18.166 -0.252 1.00 0.00 C ATOM 1342 CD2 LEU A1004 9.522 17.155 -2.160 1.00 0.00 C ATOM 0 H LEU A1004 7.693 16.027 2.123 1.00 0.00 H new ATOM 0 HA LEU A1004 9.007 18.458 1.810 1.00 0.00 H new ATOM 0 HB2 LEU A1004 9.010 16.254 0.415 1.00 0.00 H new ATOM 0 HB3 LEU A1004 7.594 16.901 -0.389 1.00 0.00 H new ATOM 0 HG LEU A1004 8.960 18.897 -1.065 1.00 0.00 H new ATOM 0 HD11 LEU A1004 11.409 18.700 -0.969 1.00 0.00 H new ATOM 0 HD12 LEU A1004 10.686 18.761 0.656 1.00 0.00 H new ATOM 0 HD13 LEU A1004 11.248 17.209 -0.010 1.00 0.00 H new ATOM 0 HD21 LEU A1004 10.165 17.700 -2.851 1.00 0.00 H new ATOM 0 HD22 LEU A1004 9.949 16.171 -1.965 1.00 0.00 H new ATOM 0 HD23 LEU A1004 8.532 17.040 -2.601 1.00 0.00 H new ATOM 1354 N ALA A1005 5.865 18.593 0.809 1.00 0.00 N ATOM 1355 CA ALA A1005 4.801 19.528 0.462 1.00 0.00 C ATOM 1356 C ALA A1005 4.587 20.528 1.585 1.00 0.00 C ATOM 1357 O ALA A1005 4.508 21.732 1.361 1.00 0.00 O ATOM 1358 CB ALA A1005 3.512 18.780 0.169 1.00 0.00 C ATOM 0 H ALA A1005 5.574 17.616 0.848 1.00 0.00 H new ATOM 0 HA ALA A1005 5.098 20.071 -0.435 1.00 0.00 H new ATOM 0 HB1 ALA A1005 2.728 19.493 -0.088 1.00 0.00 H new ATOM 0 HB2 ALA A1005 3.669 18.097 -0.666 1.00 0.00 H new ATOM 0 HB3 ALA A1005 3.212 18.213 1.050 1.00 0.00 H new ATOM 1364 N GLN A1006 4.519 20.022 2.801 1.00 0.00 N ATOM 1365 CA GLN A1006 4.356 20.869 3.965 1.00 0.00 C ATOM 1366 C GLN A1006 5.687 21.550 4.302 1.00 0.00 C ATOM 1367 O GLN A1006 5.752 22.469 5.118 1.00 0.00 O ATOM 1368 CB GLN A1006 3.856 20.031 5.142 1.00 0.00 C ATOM 1369 CG GLN A1006 4.971 19.458 6.009 1.00 0.00 C ATOM 1370 CD GLN A1006 4.519 19.136 7.418 1.00 0.00 C ATOM 1371 OE1 GLN A1006 3.632 19.792 7.966 1.00 0.00 O ATOM 1372 NE2 GLN A1006 5.133 18.131 8.019 1.00 0.00 N ATOM 0 H GLN A1006 4.574 19.025 3.008 1.00 0.00 H new ATOM 0 HA GLN A1006 3.619 21.644 3.755 1.00 0.00 H new ATOM 0 HB2 GLN A1006 3.206 20.647 5.763 1.00 0.00 H new ATOM 0 HB3 GLN A1006 3.248 19.211 4.759 1.00 0.00 H new ATOM 0 HG2 GLN A1006 5.358 18.553 5.542 1.00 0.00 H new ATOM 0 HG3 GLN A1006 5.794 20.172 6.051 1.00 0.00 H new ATOM 0 HE21 GLN A1006 5.863 17.613 7.529 1.00 0.00 H new ATOM 0 HE22 GLN A1006 4.877 17.874 8.972 1.00 0.00 H new ATOM 1381 N GLN A1007 6.747 21.067 3.667 1.00 0.00 N ATOM 1382 CA GLN A1007 8.089 21.598 3.846 1.00 0.00 C ATOM 1383 C GLN A1007 8.279 22.842 2.984 1.00 0.00 C ATOM 1384 O GLN A1007 9.056 23.737 3.317 1.00 0.00 O ATOM 1385 CB GLN A1007 9.107 20.515 3.461 1.00 0.00 C ATOM 1386 CG GLN A1007 10.358 20.476 4.322 1.00 0.00 C ATOM 1387 CD GLN A1007 10.051 20.325 5.801 1.00 0.00 C ATOM 1388 OE1 GLN A1007 10.809 20.786 6.652 1.00 0.00 O ATOM 1389 NE2 GLN A1007 8.934 19.681 6.121 1.00 0.00 N ATOM 0 H GLN A1007 6.698 20.290 3.008 1.00 0.00 H new ATOM 0 HA GLN A1007 8.239 21.881 4.888 1.00 0.00 H new ATOM 0 HB2 GLN A1007 8.618 19.542 3.513 1.00 0.00 H new ATOM 0 HB3 GLN A1007 9.403 20.668 2.423 1.00 0.00 H new ATOM 0 HG2 GLN A1007 10.989 19.647 4.000 1.00 0.00 H new ATOM 0 HG3 GLN A1007 10.929 21.391 4.166 1.00 0.00 H new ATOM 0 HE21 GLN A1007 8.330 19.312 5.387 1.00 0.00 H new ATOM 0 HE22 GLN A1007 8.681 19.555 7.101 1.00 0.00 H new ATOM 1398 N TYR A1008 7.545 22.888 1.883 1.00 0.00 N ATOM 1399 CA TYR A1008 7.611 23.991 0.934 1.00 0.00 C ATOM 1400 C TYR A1008 6.257 24.686 0.862 1.00 0.00 C ATOM 1401 O TYR A1008 6.010 25.510 -0.015 1.00 0.00 O ATOM 1402 CB TYR A1008 8.011 23.432 -0.433 1.00 0.00 C ATOM 1403 CG TYR A1008 8.206 24.450 -1.538 1.00 0.00 C ATOM 1404 CD1 TYR A1008 9.201 25.413 -1.454 1.00 0.00 C ATOM 1405 CD2 TYR A1008 7.405 24.427 -2.677 1.00 0.00 C ATOM 1406 CE1 TYR A1008 9.392 26.331 -2.467 1.00 0.00 C ATOM 1407 CE2 TYR A1008 7.595 25.342 -3.696 1.00 0.00 C ATOM 1408 CZ TYR A1008 8.587 26.291 -3.586 1.00 0.00 C ATOM 1409 OH TYR A1008 8.788 27.198 -4.602 1.00 0.00 O ATOM 0 H TYR A1008 6.883 22.158 1.620 1.00 0.00 H new ATOM 0 HA TYR A1008 8.351 24.725 1.252 1.00 0.00 H new ATOM 0 HB2 TYR A1008 8.938 22.871 -0.316 1.00 0.00 H new ATOM 0 HB3 TYR A1008 7.247 22.723 -0.751 1.00 0.00 H new ATOM 0 HD1 TYR A1008 9.837 25.445 -0.582 1.00 0.00 H new ATOM 0 HD2 TYR A1008 6.625 23.685 -2.765 1.00 0.00 H new ATOM 0 HE1 TYR A1008 10.168 27.077 -2.384 1.00 0.00 H new ATOM 0 HE2 TYR A1008 6.968 25.313 -4.575 1.00 0.00 H new ATOM 0 HH TYR A1008 8.139 27.036 -5.318 1.00 0.00 H new ATOM 1496 N GLN A1014 3.295 25.945 -3.885 1.00 0.00 N ATOM 1497 CA GLN A1014 3.303 24.575 -3.370 1.00 0.00 C ATOM 1498 C GLN A1014 3.144 23.566 -4.513 1.00 0.00 C ATOM 1499 O GLN A1014 3.722 22.488 -4.488 1.00 0.00 O ATOM 1500 CB GLN A1014 2.143 24.405 -2.379 1.00 0.00 C ATOM 1501 CG GLN A1014 2.350 23.355 -1.288 1.00 0.00 C ATOM 1502 CD GLN A1014 3.041 22.098 -1.769 1.00 0.00 C ATOM 1503 OE1 GLN A1014 4.248 21.944 -1.606 1.00 0.00 O ATOM 1504 NE2 GLN A1014 2.302 21.233 -2.443 1.00 0.00 N ATOM 0 HA GLN A1014 4.255 24.391 -2.872 1.00 0.00 H new ATOM 0 HB2 GLN A1014 1.954 25.366 -1.901 1.00 0.00 H new ATOM 0 HB3 GLN A1014 1.245 24.146 -2.940 1.00 0.00 H new ATOM 0 HG2 GLN A1014 2.937 23.794 -0.481 1.00 0.00 H new ATOM 0 HG3 GLN A1014 1.381 23.087 -0.867 1.00 0.00 H new ATOM 0 HE21 GLN A1014 1.302 21.397 -2.557 1.00 0.00 H new ATOM 0 HE22 GLN A1014 2.732 20.402 -2.849 1.00 0.00 H new ATOM 1513 N GLN A1015 2.403 23.960 -5.537 1.00 0.00 N ATOM 1514 CA GLN A1015 2.018 23.048 -6.612 1.00 0.00 C ATOM 1515 C GLN A1015 3.244 22.397 -7.265 1.00 0.00 C ATOM 1516 O GLN A1015 3.177 21.261 -7.730 1.00 0.00 O ATOM 1517 CB GLN A1015 1.166 23.788 -7.636 1.00 0.00 C ATOM 1518 CG GLN A1015 0.881 22.993 -8.899 1.00 0.00 C ATOM 1519 CD GLN A1015 -0.096 23.696 -9.814 1.00 0.00 C ATOM 1520 OE1 GLN A1015 -1.307 23.493 -9.721 1.00 0.00 O ATOM 1521 NE2 GLN A1015 0.417 24.528 -10.703 1.00 0.00 N ATOM 0 H GLN A1015 2.052 24.911 -5.650 1.00 0.00 H new ATOM 0 HA GLN A1015 1.424 22.240 -6.185 1.00 0.00 H new ATOM 0 HB2 GLN A1015 0.219 24.064 -7.173 1.00 0.00 H new ATOM 0 HB3 GLN A1015 1.670 24.715 -7.909 1.00 0.00 H new ATOM 0 HG2 GLN A1015 1.815 22.819 -9.434 1.00 0.00 H new ATOM 0 HG3 GLN A1015 0.482 22.016 -8.628 1.00 0.00 H new ATOM 0 HE21 GLN A1015 1.426 24.668 -10.747 1.00 0.00 H new ATOM 0 HE22 GLN A1015 -0.196 25.030 -11.345 1.00 0.00 H new ATOM 1530 N GLU A1016 4.358 23.122 -7.284 1.00 0.00 N ATOM 1531 CA GLU A1016 5.638 22.560 -7.713 1.00 0.00 C ATOM 1532 C GLU A1016 5.931 21.252 -6.962 1.00 0.00 C ATOM 1533 O GLU A1016 6.112 20.189 -7.571 1.00 0.00 O ATOM 1534 CB GLU A1016 6.764 23.565 -7.464 1.00 0.00 C ATOM 1535 CG GLU A1016 8.123 23.101 -7.960 1.00 0.00 C ATOM 1536 CD GLU A1016 9.221 24.095 -7.657 1.00 0.00 C ATOM 1537 OE1 GLU A1016 9.307 25.127 -8.356 1.00 0.00 O ATOM 1538 OE2 GLU A1016 10.004 23.852 -6.722 1.00 0.00 O ATOM 0 H GLU A1016 4.402 24.103 -7.007 1.00 0.00 H new ATOM 0 HA GLU A1016 5.580 22.345 -8.780 1.00 0.00 H new ATOM 0 HB2 GLU A1016 6.512 24.507 -7.952 1.00 0.00 H new ATOM 0 HB3 GLU A1016 6.828 23.767 -6.395 1.00 0.00 H new ATOM 0 HG2 GLU A1016 8.367 22.144 -7.499 1.00 0.00 H new ATOM 0 HG3 GLU A1016 8.076 22.934 -9.036 1.00 0.00 H new ATOM 1545 N TYR A1017 5.956 21.332 -5.638 1.00 0.00 N ATOM 1546 CA TYR A1017 6.184 20.159 -4.802 1.00 0.00 C ATOM 1547 C TYR A1017 4.946 19.263 -4.779 1.00 0.00 C ATOM 1548 O TYR A1017 5.046 18.067 -4.536 1.00 0.00 O ATOM 1549 CB TYR A1017 6.581 20.573 -3.376 1.00 0.00 C ATOM 1550 CG TYR A1017 8.038 20.980 -3.241 1.00 0.00 C ATOM 1551 CD1 TYR A1017 8.734 21.519 -4.316 1.00 0.00 C ATOM 1552 CD2 TYR A1017 8.716 20.828 -2.036 1.00 0.00 C ATOM 1553 CE1 TYR A1017 10.060 21.889 -4.199 1.00 0.00 C ATOM 1554 CE2 TYR A1017 10.044 21.198 -1.913 1.00 0.00 C ATOM 1555 CZ TYR A1017 10.709 21.728 -2.996 1.00 0.00 C ATOM 1556 OH TYR A1017 12.030 22.103 -2.871 1.00 0.00 O ATOM 0 H TYR A1017 5.821 22.199 -5.118 1.00 0.00 H new ATOM 0 HA TYR A1017 7.009 19.591 -5.233 1.00 0.00 H new ATOM 0 HB2 TYR A1017 5.950 21.404 -3.060 1.00 0.00 H new ATOM 0 HB3 TYR A1017 6.380 19.744 -2.697 1.00 0.00 H new ATOM 0 HD1 TYR A1017 8.229 21.651 -5.261 1.00 0.00 H new ATOM 0 HD2 TYR A1017 8.198 20.415 -1.183 1.00 0.00 H new ATOM 0 HE1 TYR A1017 10.585 22.303 -5.047 1.00 0.00 H new ATOM 0 HE2 TYR A1017 10.557 21.071 -0.971 1.00 0.00 H new ATOM 0 HH TYR A1017 12.336 21.924 -1.957 1.00 0.00 H new ATOM 1566 N LYS A1018 3.786 19.853 -5.056 1.00 0.00 N ATOM 1567 CA LYS A1018 2.524 19.116 -5.106 1.00 0.00 C ATOM 1568 C LYS A1018 2.527 18.089 -6.238 1.00 0.00 C ATOM 1569 O LYS A1018 2.108 16.948 -6.050 1.00 0.00 O ATOM 1570 CB LYS A1018 1.359 20.092 -5.286 1.00 0.00 C ATOM 1571 CG LYS A1018 -0.010 19.434 -5.348 1.00 0.00 C ATOM 1572 CD LYS A1018 -1.102 20.471 -5.551 1.00 0.00 C ATOM 1573 CE LYS A1018 -2.478 19.833 -5.609 1.00 0.00 C ATOM 1574 NZ LYS A1018 -2.790 19.070 -4.372 1.00 0.00 N ATOM 0 H LYS A1018 3.693 20.850 -5.251 1.00 0.00 H new ATOM 0 HA LYS A1018 2.405 18.579 -4.165 1.00 0.00 H new ATOM 0 HB2 LYS A1018 1.368 20.805 -4.462 1.00 0.00 H new ATOM 0 HB3 LYS A1018 1.517 20.661 -6.202 1.00 0.00 H new ATOM 0 HG2 LYS A1018 -0.034 18.711 -6.163 1.00 0.00 H new ATOM 0 HG3 LYS A1018 -0.194 18.882 -4.427 1.00 0.00 H new ATOM 0 HD2 LYS A1018 -1.071 21.196 -4.738 1.00 0.00 H new ATOM 0 HD3 LYS A1018 -0.916 21.020 -6.474 1.00 0.00 H new ATOM 0 HE2 LYS A1018 -3.231 20.607 -5.757 1.00 0.00 H new ATOM 0 HE3 LYS A1018 -2.533 19.166 -6.470 1.00 0.00 H new ATOM 0 HZ1 LYS A1018 -3.807 18.853 -4.345 1.00 0.00 H new ATOM 0 HZ2 LYS A1018 -2.246 18.184 -4.364 1.00 0.00 H new ATOM 0 HZ3 LYS A1018 -2.536 19.639 -3.540 1.00 0.00 H new ATOM 1588 N LYS A1019 2.999 18.501 -7.413 1.00 0.00 N ATOM 1589 CA LYS A1019 3.111 17.592 -8.551 1.00 0.00 C ATOM 1590 C LYS A1019 4.025 16.429 -8.198 1.00 0.00 C ATOM 1591 O LYS A1019 3.637 15.262 -8.301 1.00 0.00 O ATOM 1592 CB LYS A1019 3.666 18.320 -9.778 1.00 0.00 C ATOM 1593 CG LYS A1019 2.797 19.462 -10.279 1.00 0.00 C ATOM 1594 CD LYS A1019 3.403 20.099 -11.520 1.00 0.00 C ATOM 1595 CE LYS A1019 2.573 21.266 -12.022 1.00 0.00 C ATOM 1596 NZ LYS A1019 3.117 21.819 -13.290 1.00 0.00 N ATOM 0 H LYS A1019 3.309 19.454 -7.601 1.00 0.00 H new ATOM 0 HA LYS A1019 2.115 17.218 -8.787 1.00 0.00 H new ATOM 0 HB2 LYS A1019 4.654 18.711 -9.537 1.00 0.00 H new ATOM 0 HB3 LYS A1019 3.797 17.599 -10.585 1.00 0.00 H new ATOM 0 HG2 LYS A1019 1.797 19.091 -10.506 1.00 0.00 H new ATOM 0 HG3 LYS A1019 2.688 20.212 -9.496 1.00 0.00 H new ATOM 0 HD2 LYS A1019 4.413 20.442 -11.295 1.00 0.00 H new ATOM 0 HD3 LYS A1019 3.489 19.350 -12.307 1.00 0.00 H new ATOM 0 HE2 LYS A1019 1.544 20.941 -12.178 1.00 0.00 H new ATOM 0 HE3 LYS A1019 2.549 22.049 -11.264 1.00 0.00 H new ATOM 0 HZ1 LYS A1019 2.525 22.615 -13.604 1.00 0.00 H new ATOM 0 HZ2 LYS A1019 4.090 22.151 -13.135 1.00 0.00 H new ATOM 0 HZ3 LYS A1019 3.117 21.078 -14.020 1.00 0.00 H new ATOM 1610 N GLN A1020 5.247 16.764 -7.798 1.00 0.00 N ATOM 1611 CA GLN A1020 6.207 15.773 -7.317 1.00 0.00 C ATOM 1612 C GLN A1020 5.597 14.879 -6.236 1.00 0.00 C ATOM 1613 O GLN A1020 5.823 13.668 -6.218 1.00 0.00 O ATOM 1614 CB GLN A1020 7.450 16.475 -6.782 1.00 0.00 C ATOM 1615 CG GLN A1020 8.211 17.243 -7.848 1.00 0.00 C ATOM 1616 CD GLN A1020 9.352 18.053 -7.275 1.00 0.00 C ATOM 1617 OE1 GLN A1020 10.464 17.553 -7.122 1.00 0.00 O ATOM 1618 NE2 GLN A1020 9.088 19.313 -6.959 1.00 0.00 N ATOM 0 H GLN A1020 5.599 17.721 -7.797 1.00 0.00 H new ATOM 0 HA GLN A1020 6.484 15.135 -8.156 1.00 0.00 H new ATOM 0 HB2 GLN A1020 7.157 17.162 -5.988 1.00 0.00 H new ATOM 0 HB3 GLN A1020 8.113 15.734 -6.334 1.00 0.00 H new ATOM 0 HG2 GLN A1020 8.602 16.543 -8.586 1.00 0.00 H new ATOM 0 HG3 GLN A1020 7.524 17.908 -8.372 1.00 0.00 H new ATOM 0 HE21 GLN A1020 8.151 19.689 -7.102 1.00 0.00 H new ATOM 0 HE22 GLN A1020 9.822 19.907 -6.573 1.00 0.00 H new ATOM 1627 N MET A1021 4.818 15.479 -5.348 1.00 0.00 N ATOM 1628 CA MET A1021 4.143 14.746 -4.283 1.00 0.00 C ATOM 1629 C MET A1021 3.158 13.730 -4.858 1.00 0.00 C ATOM 1630 O MET A1021 3.201 12.549 -4.515 1.00 0.00 O ATOM 1631 CB MET A1021 3.403 15.722 -3.371 1.00 0.00 C ATOM 1632 CG MET A1021 2.748 15.068 -2.169 1.00 0.00 C ATOM 1633 SD MET A1021 1.765 16.232 -1.211 1.00 0.00 S ATOM 1634 CE MET A1021 1.452 15.260 0.253 1.00 0.00 C ATOM 0 H MET A1021 4.635 16.483 -5.344 1.00 0.00 H new ATOM 0 HA MET A1021 4.896 14.208 -3.708 1.00 0.00 H new ATOM 0 HB2 MET A1021 4.104 16.480 -3.022 1.00 0.00 H new ATOM 0 HB3 MET A1021 2.639 16.238 -3.952 1.00 0.00 H new ATOM 0 HG2 MET A1021 2.112 14.249 -2.505 1.00 0.00 H new ATOM 0 HG3 MET A1021 3.517 14.633 -1.530 1.00 0.00 H new ATOM 0 HE1 MET A1021 1.041 15.900 1.034 1.00 0.00 H new ATOM 0 HE2 MET A1021 0.739 14.469 0.019 1.00 0.00 H new ATOM 0 HE3 MET A1021 2.385 14.817 0.602 1.00 0.00 H new ATOM 1644 N LEU A1022 2.281 14.200 -5.739 1.00 0.00 N ATOM 1645 CA LEU A1022 1.275 13.348 -6.363 1.00 0.00 C ATOM 1646 C LEU A1022 1.931 12.244 -7.186 1.00 0.00 C ATOM 1647 O LEU A1022 1.437 11.120 -7.244 1.00 0.00 O ATOM 1648 CB LEU A1022 0.349 14.187 -7.248 1.00 0.00 C ATOM 1649 CG LEU A1022 -0.808 13.420 -7.893 1.00 0.00 C ATOM 1650 CD1 LEU A1022 -1.745 12.861 -6.833 1.00 0.00 C ATOM 1651 CD2 LEU A1022 -1.568 14.316 -8.858 1.00 0.00 C ATOM 0 H LEU A1022 2.247 15.174 -6.039 1.00 0.00 H new ATOM 0 HA LEU A1022 0.686 12.881 -5.574 1.00 0.00 H new ATOM 0 HB2 LEU A1022 -0.064 14.998 -6.648 1.00 0.00 H new ATOM 0 HB3 LEU A1022 0.945 14.646 -8.037 1.00 0.00 H new ATOM 0 HG LEU A1022 -0.391 12.583 -8.453 1.00 0.00 H new ATOM 0 HD11 LEU A1022 -2.559 12.320 -7.316 1.00 0.00 H new ATOM 0 HD12 LEU A1022 -1.194 12.182 -6.182 1.00 0.00 H new ATOM 0 HD13 LEU A1022 -2.154 13.680 -6.241 1.00 0.00 H new ATOM 0 HD21 LEU A1022 -2.387 13.755 -9.307 1.00 0.00 H new ATOM 0 HD22 LEU A1022 -1.969 15.174 -8.319 1.00 0.00 H new ATOM 0 HD23 LEU A1022 -0.893 14.663 -9.641 1.00 0.00 H new ATOM 1663 N THR A1023 3.054 12.566 -7.808 1.00 0.00 N ATOM 1664 CA THR A1023 3.796 11.594 -8.600 1.00 0.00 C ATOM 1665 C THR A1023 4.314 10.454 -7.717 1.00 0.00 C ATOM 1666 O THR A1023 4.362 9.294 -8.135 1.00 0.00 O ATOM 1667 CB THR A1023 4.975 12.267 -9.333 1.00 0.00 C ATOM 1668 OG1 THR A1023 4.494 13.378 -10.107 1.00 0.00 O ATOM 1669 CG2 THR A1023 5.684 11.283 -10.252 1.00 0.00 C ATOM 0 H THR A1023 3.474 13.495 -7.780 1.00 0.00 H new ATOM 0 HA THR A1023 3.113 11.180 -9.342 1.00 0.00 H new ATOM 0 HB THR A1023 5.686 12.615 -8.583 1.00 0.00 H new ATOM 0 HG1 THR A1023 4.278 14.124 -9.509 1.00 0.00 H new ATOM 0 HG21 THR A1023 6.510 11.785 -10.755 1.00 0.00 H new ATOM 0 HG22 THR A1023 6.070 10.450 -9.665 1.00 0.00 H new ATOM 0 HG23 THR A1023 4.981 10.908 -10.996 1.00 0.00 H new ATOM 1677 N ALA A1024 4.668 10.790 -6.484 1.00 0.00 N ATOM 1678 CA ALA A1024 5.154 9.798 -5.538 1.00 0.00 C ATOM 1679 C ALA A1024 3.989 9.030 -4.932 1.00 0.00 C ATOM 1680 O ALA A1024 4.066 7.819 -4.731 1.00 0.00 O ATOM 1681 CB ALA A1024 5.986 10.452 -4.452 1.00 0.00 C ATOM 0 H ALA A1024 4.627 11.741 -6.117 1.00 0.00 H new ATOM 0 HA ALA A1024 5.791 9.095 -6.074 1.00 0.00 H new ATOM 0 HB1 ALA A1024 6.339 9.691 -3.756 1.00 0.00 H new ATOM 0 HB2 ALA A1024 6.841 10.956 -4.903 1.00 0.00 H new ATOM 0 HB3 ALA A1024 5.377 11.180 -3.916 1.00 0.00 H new ATOM 1687 N ALA A1025 2.904 9.746 -4.652 1.00 0.00 N ATOM 1688 CA ALA A1025 1.684 9.131 -4.149 1.00 0.00 C ATOM 1689 C ALA A1025 1.162 8.112 -5.147 1.00 0.00 C ATOM 1690 O ALA A1025 0.780 7.005 -4.779 1.00 0.00 O ATOM 1691 CB ALA A1025 0.628 10.193 -3.873 1.00 0.00 C ATOM 0 H ALA A1025 2.847 10.758 -4.766 1.00 0.00 H new ATOM 0 HA ALA A1025 1.911 8.620 -3.213 1.00 0.00 H new ATOM 0 HB1 ALA A1025 -0.278 9.717 -3.498 1.00 0.00 H new ATOM 0 HB2 ALA A1025 1.004 10.895 -3.129 1.00 0.00 H new ATOM 0 HB3 ALA A1025 0.401 10.729 -4.795 1.00 0.00 H new ATOM 1697 N HIS A1026 1.177 8.495 -6.416 1.00 0.00 N ATOM 1698 CA HIS A1026 0.756 7.615 -7.497 1.00 0.00 C ATOM 1699 C HIS A1026 1.616 6.353 -7.521 1.00 0.00 C ATOM 1700 O HIS A1026 1.120 5.261 -7.794 1.00 0.00 O ATOM 1701 CB HIS A1026 0.856 8.356 -8.837 1.00 0.00 C ATOM 1702 CG HIS A1026 0.349 7.580 -10.017 1.00 0.00 C ATOM 1703 ND1 HIS A1026 -0.965 7.610 -10.426 1.00 0.00 N ATOM 1704 CD2 HIS A1026 0.994 6.770 -10.889 1.00 0.00 C ATOM 1705 CE1 HIS A1026 -1.108 6.851 -11.497 1.00 0.00 C ATOM 1706 NE2 HIS A1026 0.066 6.331 -11.795 1.00 0.00 N ATOM 0 H HIS A1026 1.480 9.419 -6.724 1.00 0.00 H new ATOM 0 HA HIS A1026 -0.280 7.320 -7.331 1.00 0.00 H new ATOM 0 HB2 HIS A1026 0.297 9.289 -8.764 1.00 0.00 H new ATOM 0 HB3 HIS A1026 1.898 8.622 -9.014 1.00 0.00 H new ATOM 0 HD2 HIS A1026 2.044 6.517 -10.873 1.00 0.00 H new ATOM 0 HE1 HIS A1026 -2.029 6.685 -12.036 1.00 0.00 H new ATOM 0 HE2 HIS A1026 0.253 5.702 -12.576 1.00 0.00 H new ATOM 1715 N ALA A1027 2.895 6.508 -7.211 1.00 0.00 N ATOM 1716 CA ALA A1027 3.830 5.391 -7.235 1.00 0.00 C ATOM 1717 C ALA A1027 3.579 4.431 -6.079 1.00 0.00 C ATOM 1718 O ALA A1027 3.568 3.217 -6.279 1.00 0.00 O ATOM 1719 CB ALA A1027 5.262 5.901 -7.214 1.00 0.00 C ATOM 0 H ALA A1027 3.311 7.399 -6.939 1.00 0.00 H new ATOM 0 HA ALA A1027 3.671 4.837 -8.160 1.00 0.00 H new ATOM 0 HB1 ALA A1027 5.950 5.055 -7.232 1.00 0.00 H new ATOM 0 HB2 ALA A1027 5.437 6.530 -8.087 1.00 0.00 H new ATOM 0 HB3 ALA A1027 5.427 6.484 -6.308 1.00 0.00 H new ATOM 1725 N LEU A1028 3.348 4.969 -4.884 1.00 0.00 N ATOM 1726 CA LEU A1028 3.063 4.125 -3.726 1.00 0.00 C ATOM 1727 C LEU A1028 1.650 3.541 -3.837 1.00 0.00 C ATOM 1728 O LEU A1028 1.381 2.434 -3.383 1.00 0.00 O ATOM 1729 CB LEU A1028 3.265 4.881 -2.397 1.00 0.00 C ATOM 1730 CG LEU A1028 2.466 4.333 -1.208 1.00 0.00 C ATOM 1731 CD1 LEU A1028 3.106 3.083 -0.642 1.00 0.00 C ATOM 1732 CD2 LEU A1028 2.298 5.400 -0.148 1.00 0.00 C ATOM 0 H LEU A1028 3.352 5.971 -4.693 1.00 0.00 H new ATOM 0 HA LEU A1028 3.777 3.302 -3.722 1.00 0.00 H new ATOM 0 HB2 LEU A1028 4.325 4.860 -2.143 1.00 0.00 H new ATOM 0 HB3 LEU A1028 2.993 5.926 -2.547 1.00 0.00 H new ATOM 0 HG LEU A1028 1.475 4.051 -1.564 1.00 0.00 H new ATOM 0 HD11 LEU A1028 2.515 2.720 0.199 1.00 0.00 H new ATOM 0 HD12 LEU A1028 3.148 2.314 -1.414 1.00 0.00 H new ATOM 0 HD13 LEU A1028 4.116 3.313 -0.303 1.00 0.00 H new ATOM 0 HD21 LEU A1028 1.729 4.995 0.689 1.00 0.00 H new ATOM 0 HD22 LEU A1028 3.279 5.723 0.202 1.00 0.00 H new ATOM 0 HD23 LEU A1028 1.765 6.252 -0.571 1.00 0.00 H new ATOM 1744 N ALA A1029 0.746 4.296 -4.450 1.00 0.00 N ATOM 1745 CA ALA A1029 -0.593 3.797 -4.754 1.00 0.00 C ATOM 1746 C ALA A1029 -0.530 2.542 -5.627 1.00 0.00 C ATOM 1747 O ALA A1029 -1.157 1.531 -5.318 1.00 0.00 O ATOM 1748 CB ALA A1029 -1.425 4.877 -5.433 1.00 0.00 C ATOM 0 H ALA A1029 0.915 5.257 -4.747 1.00 0.00 H new ATOM 0 HA ALA A1029 -1.072 3.529 -3.813 1.00 0.00 H new ATOM 0 HB1 ALA A1029 -2.419 4.487 -5.652 1.00 0.00 H new ATOM 0 HB2 ALA A1029 -1.511 5.739 -4.772 1.00 0.00 H new ATOM 0 HB3 ALA A1029 -0.941 5.179 -6.362 1.00 0.00 H new ATOM 1754 N VAL A1030 0.238 2.609 -6.714 1.00 0.00 N ATOM 1755 CA VAL A1030 0.420 1.463 -7.606 1.00 0.00 C ATOM 1756 C VAL A1030 1.235 0.370 -6.918 1.00 0.00 C ATOM 1757 O VAL A1030 1.181 -0.805 -7.285 1.00 0.00 O ATOM 1758 CB VAL A1030 1.100 1.887 -8.931 1.00 0.00 C ATOM 1759 CG1 VAL A1030 1.325 0.695 -9.848 1.00 0.00 C ATOM 1760 CG2 VAL A1030 0.265 2.940 -9.641 1.00 0.00 C ATOM 0 H VAL A1030 0.745 3.447 -6.999 1.00 0.00 H new ATOM 0 HA VAL A1030 -0.567 1.066 -7.844 1.00 0.00 H new ATOM 0 HB VAL A1030 2.074 2.310 -8.683 1.00 0.00 H new ATOM 0 HG11 VAL A1030 1.804 1.029 -10.768 1.00 0.00 H new ATOM 0 HG12 VAL A1030 1.966 -0.032 -9.349 1.00 0.00 H new ATOM 0 HG13 VAL A1030 0.367 0.232 -10.085 1.00 0.00 H new ATOM 0 HG21 VAL A1030 0.756 3.228 -10.571 1.00 0.00 H new ATOM 0 HG22 VAL A1030 -0.722 2.533 -9.863 1.00 0.00 H new ATOM 0 HG23 VAL A1030 0.161 3.815 -9.000 1.00 0.00 H new ATOM 1770 N ASP A1031 1.949 0.773 -5.893 1.00 0.00 N ATOM 1771 CA ASP A1031 2.735 -0.142 -5.090 1.00 0.00 C ATOM 1772 C ASP A1031 1.821 -0.929 -4.145 1.00 0.00 C ATOM 1773 O ASP A1031 1.935 -2.152 -4.032 1.00 0.00 O ATOM 1774 CB ASP A1031 3.795 0.640 -4.335 1.00 0.00 C ATOM 1775 CG ASP A1031 4.221 -0.041 -3.073 1.00 0.00 C ATOM 1776 OD1 ASP A1031 4.681 -1.197 -3.150 1.00 0.00 O ATOM 1777 OD2 ASP A1031 4.094 0.584 -2.010 1.00 0.00 O ATOM 0 H ASP A1031 2.003 1.745 -5.590 1.00 0.00 H new ATOM 0 HA ASP A1031 3.239 -0.866 -5.730 1.00 0.00 H new ATOM 0 HB2 ASP A1031 4.664 0.782 -4.978 1.00 0.00 H new ATOM 0 HB3 ASP A1031 3.409 1.631 -4.097 1.00 0.00 H new ATOM 1782 N ALA A1032 0.876 -0.231 -3.519 1.00 0.00 N ATOM 1783 CA ALA A1032 -0.187 -0.883 -2.771 1.00 0.00 C ATOM 1784 C ALA A1032 -0.940 -1.837 -3.690 1.00 0.00 C ATOM 1785 O ALA A1032 -1.261 -2.959 -3.315 1.00 0.00 O ATOM 1786 CB ALA A1032 -1.138 0.155 -2.200 1.00 0.00 C ATOM 0 H ALA A1032 0.828 0.788 -3.517 1.00 0.00 H new ATOM 0 HA ALA A1032 0.247 -1.446 -1.945 1.00 0.00 H new ATOM 0 HB1 ALA A1032 -1.930 -0.345 -1.642 1.00 0.00 H new ATOM 0 HB2 ALA A1032 -0.591 0.823 -1.534 1.00 0.00 H new ATOM 0 HB3 ALA A1032 -1.577 0.733 -3.013 1.00 0.00 H new ATOM 1792 N LYS A1033 -1.196 -1.379 -4.912 1.00 0.00 N ATOM 1793 CA LYS A1033 -1.864 -2.197 -5.915 1.00 0.00 C ATOM 1794 C LYS A1033 -1.015 -3.413 -6.283 1.00 0.00 C ATOM 1795 O LYS A1033 -1.544 -4.487 -6.566 1.00 0.00 O ATOM 1796 CB LYS A1033 -2.161 -1.373 -7.171 1.00 0.00 C ATOM 1797 CG LYS A1033 -3.158 -0.244 -6.952 1.00 0.00 C ATOM 1798 CD LYS A1033 -4.543 -0.765 -6.589 1.00 0.00 C ATOM 1799 CE LYS A1033 -5.156 -1.588 -7.716 1.00 0.00 C ATOM 1800 NZ LYS A1033 -5.225 -0.828 -8.990 1.00 0.00 N ATOM 0 H LYS A1033 -0.949 -0.442 -5.231 1.00 0.00 H new ATOM 0 HA LYS A1033 -2.804 -2.545 -5.488 1.00 0.00 H new ATOM 0 HB2 LYS A1033 -1.228 -0.952 -7.545 1.00 0.00 H new ATOM 0 HB3 LYS A1033 -2.545 -2.037 -7.946 1.00 0.00 H new ATOM 0 HG2 LYS A1033 -2.797 0.409 -6.157 1.00 0.00 H new ATOM 0 HG3 LYS A1033 -3.224 0.361 -7.856 1.00 0.00 H new ATOM 0 HD2 LYS A1033 -4.476 -1.376 -5.689 1.00 0.00 H new ATOM 0 HD3 LYS A1033 -5.197 0.075 -6.356 1.00 0.00 H new ATOM 0 HE2 LYS A1033 -4.566 -2.493 -7.866 1.00 0.00 H new ATOM 0 HE3 LYS A1033 -6.159 -1.905 -7.429 1.00 0.00 H new ATOM 0 HZ1 LYS A1033 -5.852 -1.323 -9.656 1.00 0.00 H new ATOM 0 HZ2 LYS A1033 -5.599 0.125 -8.806 1.00 0.00 H new ATOM 0 HZ3 LYS A1033 -4.273 -0.753 -9.401 1.00 0.00 H new ATOM 1814 N ASN A1034 0.302 -3.250 -6.273 1.00 0.00 N ATOM 1815 CA ASN A1034 1.196 -4.353 -6.594 1.00 0.00 C ATOM 1816 C ASN A1034 1.111 -5.415 -5.512 1.00 0.00 C ATOM 1817 O ASN A1034 0.984 -6.599 -5.808 1.00 0.00 O ATOM 1818 CB ASN A1034 2.644 -3.882 -6.744 1.00 0.00 C ATOM 1819 CG ASN A1034 3.547 -4.960 -7.329 1.00 0.00 C ATOM 1820 OD1 ASN A1034 4.809 -4.965 -6.933 1.00 0.00 O flip ATOM 1821 ND2 ASN A1034 3.110 -5.790 -8.123 1.00 0.00 N flip ATOM 0 H ASN A1034 0.771 -2.372 -6.048 1.00 0.00 H new ATOM 0 HA ASN A1034 0.880 -4.772 -7.549 1.00 0.00 H new ATOM 0 HB2 ASN A1034 2.672 -3.001 -7.385 1.00 0.00 H new ATOM 0 HB3 ASN A1034 3.028 -3.580 -5.770 1.00 0.00 H new ATOM 0 HD21 ASN A1034 2.131 -5.757 -8.408 1.00 0.00 H new ATOM 0 HD22 ASN A1034 3.726 -6.511 -8.497 1.00 0.00 H new ATOM 1828 N LEU A1035 1.105 -4.984 -4.251 1.00 0.00 N ATOM 1829 CA LEU A1035 1.076 -5.929 -3.141 1.00 0.00 C ATOM 1830 C LEU A1035 -0.333 -6.503 -3.002 1.00 0.00 C ATOM 1831 O LEU A1035 -0.505 -7.611 -2.515 1.00 0.00 O ATOM 1832 CB LEU A1035 1.530 -5.289 -1.812 1.00 0.00 C ATOM 1833 CG LEU A1035 1.695 -6.279 -0.655 1.00 0.00 C ATOM 1834 CD1 LEU A1035 2.989 -7.060 -0.798 1.00 0.00 C ATOM 1835 CD2 LEU A1035 1.653 -5.569 0.683 1.00 0.00 C ATOM 0 H LEU A1035 1.120 -4.002 -3.977 1.00 0.00 H new ATOM 0 HA LEU A1035 1.783 -6.728 -3.363 1.00 0.00 H new ATOM 0 HB2 LEU A1035 2.479 -4.778 -1.975 1.00 0.00 H new ATOM 0 HB3 LEU A1035 0.804 -4.529 -1.523 1.00 0.00 H new ATOM 0 HG LEU A1035 0.860 -6.978 -0.694 1.00 0.00 H new ATOM 0 HD11 LEU A1035 3.087 -7.757 0.034 1.00 0.00 H new ATOM 0 HD12 LEU A1035 2.978 -7.614 -1.737 1.00 0.00 H new ATOM 0 HD13 LEU A1035 3.833 -6.370 -0.794 1.00 0.00 H new ATOM 0 HD21 LEU A1035 1.773 -6.297 1.485 1.00 0.00 H new ATOM 0 HD22 LEU A1035 2.460 -4.838 0.733 1.00 0.00 H new ATOM 0 HD23 LEU A1035 0.696 -5.060 0.795 1.00 0.00 H new ATOM 1847 N LEU A1036 -1.329 -5.759 -3.481 1.00 0.00 N ATOM 1848 CA LEU A1036 -2.724 -6.194 -3.432 1.00 0.00 C ATOM 1849 C LEU A1036 -2.916 -7.444 -4.259 1.00 0.00 C ATOM 1850 O LEU A1036 -3.720 -8.301 -3.923 1.00 0.00 O ATOM 1851 CB LEU A1036 -3.681 -5.050 -3.863 1.00 0.00 C ATOM 1852 CG LEU A1036 -4.823 -5.397 -4.840 1.00 0.00 C ATOM 1853 CD1 LEU A1036 -5.892 -4.320 -4.789 1.00 0.00 C ATOM 1854 CD2 LEU A1036 -4.325 -5.525 -6.274 1.00 0.00 C ATOM 0 H LEU A1036 -1.193 -4.844 -3.911 1.00 0.00 H new ATOM 0 HA LEU A1036 -2.977 -6.443 -2.401 1.00 0.00 H new ATOM 0 HB2 LEU A1036 -4.127 -4.630 -2.962 1.00 0.00 H new ATOM 0 HB3 LEU A1036 -3.079 -4.263 -4.317 1.00 0.00 H new ATOM 0 HG LEU A1036 -5.234 -6.358 -4.530 1.00 0.00 H new ATOM 0 HD11 LEU A1036 -6.695 -4.572 -5.481 1.00 0.00 H new ATOM 0 HD12 LEU A1036 -6.293 -4.253 -3.778 1.00 0.00 H new ATOM 0 HD13 LEU A1036 -5.457 -3.361 -5.071 1.00 0.00 H new ATOM 0 HD21 LEU A1036 -5.161 -5.770 -6.929 1.00 0.00 H new ATOM 0 HD22 LEU A1036 -3.881 -4.581 -6.590 1.00 0.00 H new ATOM 0 HD23 LEU A1036 -3.576 -6.315 -6.330 1.00 0.00 H new ATOM 1866 N ASP A1037 -2.148 -7.544 -5.323 1.00 0.00 N ATOM 1867 CA ASP A1037 -2.152 -8.733 -6.155 1.00 0.00 C ATOM 1868 C ASP A1037 -1.166 -9.737 -5.579 1.00 0.00 C ATOM 1869 O ASP A1037 -1.419 -10.933 -5.570 1.00 0.00 O ATOM 1870 CB ASP A1037 -1.794 -8.392 -7.606 1.00 0.00 C ATOM 1871 CG ASP A1037 -2.010 -9.559 -8.555 1.00 0.00 C ATOM 1872 OD1 ASP A1037 -3.176 -9.969 -8.744 1.00 0.00 O ATOM 1873 OD2 ASP A1037 -1.028 -10.053 -9.140 1.00 0.00 O ATOM 0 H ASP A1037 -1.509 -6.813 -5.635 1.00 0.00 H new ATOM 0 HA ASP A1037 -3.153 -9.165 -6.161 1.00 0.00 H new ATOM 0 HB2 ASP A1037 -2.397 -7.546 -7.935 1.00 0.00 H new ATOM 0 HB3 ASP A1037 -0.751 -8.078 -7.654 1.00 0.00 H new ATOM 1878 N VAL A1038 -0.056 -9.218 -5.063 1.00 0.00 N ATOM 1879 CA VAL A1038 0.969 -10.026 -4.406 1.00 0.00 C ATOM 1880 C VAL A1038 0.391 -10.914 -3.302 1.00 0.00 C ATOM 1881 O VAL A1038 0.463 -12.134 -3.376 1.00 0.00 O ATOM 1882 CB VAL A1038 2.064 -9.126 -3.785 1.00 0.00 C ATOM 1883 CG1 VAL A1038 2.910 -9.901 -2.791 1.00 0.00 C ATOM 1884 CG2 VAL A1038 2.947 -8.522 -4.865 1.00 0.00 C ATOM 0 H VAL A1038 0.160 -8.221 -5.088 1.00 0.00 H new ATOM 0 HA VAL A1038 1.396 -10.663 -5.180 1.00 0.00 H new ATOM 0 HB VAL A1038 1.563 -8.317 -3.253 1.00 0.00 H new ATOM 0 HG11 VAL A1038 3.671 -9.244 -2.371 1.00 0.00 H new ATOM 0 HG12 VAL A1038 2.275 -10.280 -1.990 1.00 0.00 H new ATOM 0 HG13 VAL A1038 3.392 -10.737 -3.298 1.00 0.00 H new ATOM 0 HG21 VAL A1038 3.709 -7.894 -4.403 1.00 0.00 H new ATOM 0 HG22 VAL A1038 3.429 -9.320 -5.430 1.00 0.00 H new ATOM 0 HG23 VAL A1038 2.338 -7.918 -5.538 1.00 0.00 H new ATOM 1894 N ILE A1039 -0.161 -10.283 -2.278 1.00 0.00 N ATOM 1895 CA ILE A1039 -0.640 -10.985 -1.094 1.00 0.00 C ATOM 1896 C ILE A1039 -2.027 -11.583 -1.301 1.00 0.00 C ATOM 1897 O ILE A1039 -2.365 -12.586 -0.667 1.00 0.00 O ATOM 1898 CB ILE A1039 -0.625 -10.085 0.157 1.00 0.00 C ATOM 1899 CG1 ILE A1039 -1.439 -8.815 -0.082 1.00 0.00 C ATOM 1900 CG2 ILE A1039 0.807 -9.753 0.545 1.00 0.00 C ATOM 1901 CD1 ILE A1039 -1.192 -7.736 0.946 1.00 0.00 C ATOM 0 H ILE A1039 -0.290 -9.272 -2.242 1.00 0.00 H new ATOM 0 HA ILE A1039 0.057 -11.806 -0.928 1.00 0.00 H new ATOM 0 HB ILE A1039 -1.088 -10.625 0.983 1.00 0.00 H new ATOM 0 HG12 ILE A1039 -1.203 -8.423 -1.071 1.00 0.00 H new ATOM 0 HG13 ILE A1039 -2.499 -9.068 -0.084 1.00 0.00 H new ATOM 0 HG21 ILE A1039 0.806 -9.117 1.430 1.00 0.00 H new ATOM 0 HG22 ILE A1039 1.348 -10.674 0.761 1.00 0.00 H new ATOM 0 HG23 ILE A1039 1.295 -9.230 -0.277 1.00 0.00 H new ATOM 0 HD11 ILE A1039 -1.803 -6.864 0.713 1.00 0.00 H new ATOM 0 HD12 ILE A1039 -1.455 -8.109 1.936 1.00 0.00 H new ATOM 0 HD13 ILE A1039 -0.139 -7.455 0.932 1.00 0.00 H new ATOM 1913 N ASP A1040 -2.844 -10.980 -2.159 1.00 0.00 N ATOM 1914 CA ASP A1040 -4.017 -11.695 -2.659 1.00 0.00 C ATOM 1915 C ASP A1040 -3.562 -13.036 -3.194 1.00 0.00 C ATOM 1916 O ASP A1040 -4.091 -14.095 -2.827 1.00 0.00 O ATOM 1917 CB ASP A1040 -4.725 -10.928 -3.771 1.00 0.00 C ATOM 1918 CG ASP A1040 -5.689 -11.802 -4.553 1.00 0.00 C ATOM 1919 OD1 ASP A1040 -6.856 -11.936 -4.136 1.00 0.00 O ATOM 1920 OD2 ASP A1040 -5.278 -12.375 -5.585 1.00 0.00 O ATOM 0 H ASP A1040 -2.725 -10.031 -2.514 1.00 0.00 H new ATOM 0 HA ASP A1040 -4.725 -11.813 -1.838 1.00 0.00 H new ATOM 0 HB2 ASP A1040 -5.269 -10.087 -3.340 1.00 0.00 H new ATOM 0 HB3 ASP A1040 -3.982 -10.512 -4.452 1.00 0.00 H new ATOM 1925 N GLN A1041 -2.519 -12.987 -4.008 1.00 0.00 N ATOM 1926 CA GLN A1041 -1.951 -14.193 -4.553 1.00 0.00 C ATOM 1927 C GLN A1041 -1.220 -14.957 -3.478 1.00 0.00 C ATOM 1928 O GLN A1041 -1.093 -16.148 -3.594 1.00 0.00 O ATOM 1929 CB GLN A1041 -0.998 -13.933 -5.710 1.00 0.00 C ATOM 1930 CG GLN A1041 -1.680 -13.529 -7.001 1.00 0.00 C ATOM 1931 CD GLN A1041 -0.802 -13.786 -8.203 1.00 0.00 C ATOM 1932 OE1 GLN A1041 -0.019 -14.738 -8.221 1.00 0.00 O ATOM 1933 NE2 GLN A1041 -0.894 -12.922 -9.193 1.00 0.00 N ATOM 0 H GLN A1041 -2.056 -12.126 -4.300 1.00 0.00 H new ATOM 0 HA GLN A1041 -2.786 -14.778 -4.939 1.00 0.00 H new ATOM 0 HB2 GLN A1041 -0.300 -13.148 -5.421 1.00 0.00 H new ATOM 0 HB3 GLN A1041 -0.409 -14.833 -5.890 1.00 0.00 H new ATOM 0 HG2 GLN A1041 -2.613 -14.082 -7.108 1.00 0.00 H new ATOM 0 HG3 GLN A1041 -1.939 -12.471 -6.960 1.00 0.00 H new ATOM 0 HE21 GLN A1041 -1.557 -12.149 -9.135 1.00 0.00 H new ATOM 0 HE22 GLN A1041 -0.303 -13.026 -10.018 1.00 0.00 H new ATOM 1942 N ALA A1042 -0.737 -14.274 -2.436 1.00 0.00 N ATOM 1943 CA ALA A1042 -0.106 -14.950 -1.309 1.00 0.00 C ATOM 1944 C ALA A1042 -1.009 -16.039 -0.753 1.00 0.00 C ATOM 1945 O ALA A1042 -0.611 -17.191 -0.644 1.00 0.00 O ATOM 1946 CB ALA A1042 0.239 -13.970 -0.204 1.00 0.00 C ATOM 0 H ALA A1042 -0.773 -13.258 -2.353 1.00 0.00 H new ATOM 0 HA ALA A1042 0.814 -15.403 -1.679 1.00 0.00 H new ATOM 0 HB1 ALA A1042 0.708 -14.504 0.622 1.00 0.00 H new ATOM 0 HB2 ALA A1042 0.928 -13.217 -0.587 1.00 0.00 H new ATOM 0 HB3 ALA A1042 -0.671 -13.484 0.148 1.00 0.00 H new ATOM 1952 N ARG A1043 -2.228 -15.670 -0.403 1.00 0.00 N ATOM 1953 CA ARG A1043 -3.215 -16.654 0.035 1.00 0.00 C ATOM 1954 C ARG A1043 -3.403 -17.754 -1.016 1.00 0.00 C ATOM 1955 O ARG A1043 -3.652 -18.908 -0.677 1.00 0.00 O ATOM 1956 CB ARG A1043 -4.541 -15.972 0.349 1.00 0.00 C ATOM 1957 CG ARG A1043 -4.873 -15.944 1.834 1.00 0.00 C ATOM 1958 CD ARG A1043 -3.731 -15.377 2.664 1.00 0.00 C ATOM 1959 NE ARG A1043 -4.165 -15.043 4.022 1.00 0.00 N ATOM 1960 CZ ARG A1043 -3.430 -15.212 5.123 1.00 0.00 C ATOM 1961 NH1 ARG A1043 -2.233 -15.780 5.065 1.00 0.00 N ATOM 1962 NH2 ARG A1043 -3.913 -14.820 6.291 1.00 0.00 N ATOM 0 H ARG A1043 -2.561 -14.706 -0.411 1.00 0.00 H new ATOM 0 HA ARG A1043 -2.844 -17.125 0.945 1.00 0.00 H new ATOM 0 HB2 ARG A1043 -4.513 -14.950 -0.028 1.00 0.00 H new ATOM 0 HB3 ARG A1043 -5.340 -16.487 -0.184 1.00 0.00 H new ATOM 0 HG2 ARG A1043 -5.769 -15.345 1.994 1.00 0.00 H new ATOM 0 HG3 ARG A1043 -5.101 -16.954 2.173 1.00 0.00 H new ATOM 0 HD2 ARG A1043 -2.919 -16.102 2.709 1.00 0.00 H new ATOM 0 HD3 ARG A1043 -3.335 -14.485 2.178 1.00 0.00 H new ATOM 0 HE ARG A1043 -5.100 -14.651 4.135 1.00 0.00 H new ATOM 0 HH11 ARG A1043 -1.861 -16.095 4.169 1.00 0.00 H new ATOM 0 HH12 ARG A1043 -1.684 -15.901 5.916 1.00 0.00 H new ATOM 0 HH21 ARG A1043 -4.838 -14.394 6.343 1.00 0.00 H new ATOM 0 HH22 ARG A1043 -3.360 -14.944 7.139 1.00 0.00 H new ATOM 1976 N LEU A1044 -3.271 -17.395 -2.289 1.00 0.00 N ATOM 1977 CA LEU A1044 -3.301 -18.384 -3.370 1.00 0.00 C ATOM 1978 C LEU A1044 -2.009 -19.216 -3.387 1.00 0.00 C ATOM 1979 O LEU A1044 -2.043 -20.415 -3.660 1.00 0.00 O ATOM 1980 CB LEU A1044 -3.495 -17.697 -4.722 1.00 0.00 C ATOM 1981 CG LEU A1044 -3.597 -18.637 -5.924 1.00 0.00 C ATOM 1982 CD1 LEU A1044 -4.782 -19.578 -5.770 1.00 0.00 C ATOM 1983 CD2 LEU A1044 -3.712 -17.834 -7.210 1.00 0.00 C ATOM 0 H LEU A1044 -3.143 -16.432 -2.600 1.00 0.00 H new ATOM 0 HA LEU A1044 -4.143 -19.052 -3.189 1.00 0.00 H new ATOM 0 HB2 LEU A1044 -4.401 -17.092 -4.677 1.00 0.00 H new ATOM 0 HB3 LEU A1044 -2.662 -17.013 -4.886 1.00 0.00 H new ATOM 0 HG LEU A1044 -2.690 -19.240 -5.972 1.00 0.00 H new ATOM 0 HD11 LEU A1044 -4.837 -20.238 -6.635 1.00 0.00 H new ATOM 0 HD12 LEU A1044 -4.658 -20.174 -4.866 1.00 0.00 H new ATOM 0 HD13 LEU A1044 -5.701 -18.997 -5.698 1.00 0.00 H new ATOM 0 HD21 LEU A1044 -3.784 -18.514 -8.059 1.00 0.00 H new ATOM 0 HD22 LEU A1044 -4.604 -17.208 -7.170 1.00 0.00 H new ATOM 0 HD23 LEU A1044 -2.831 -17.203 -7.325 1.00 0.00 H new ATOM 1995 N LYS A1045 -0.880 -18.571 -3.091 1.00 0.00 N ATOM 1996 CA LYS A1045 0.409 -19.247 -2.982 1.00 0.00 C ATOM 1997 C LYS A1045 0.301 -20.312 -1.907 1.00 0.00 C ATOM 1998 O LYS A1045 0.915 -21.377 -1.981 1.00 0.00 O ATOM 1999 CB LYS A1045 1.529 -18.275 -2.564 1.00 0.00 C ATOM 2000 CG LYS A1045 1.622 -16.963 -3.325 1.00 0.00 C ATOM 2001 CD LYS A1045 1.849 -17.124 -4.824 1.00 0.00 C ATOM 2002 CE LYS A1045 2.167 -15.771 -5.454 1.00 0.00 C ATOM 2003 NZ LYS A1045 2.184 -15.802 -6.943 1.00 0.00 N ATOM 0 H LYS A1045 -0.835 -17.566 -2.921 1.00 0.00 H new ATOM 0 HA LYS A1045 0.654 -19.669 -3.957 1.00 0.00 H new ATOM 0 HB2 LYS A1045 1.401 -18.045 -1.506 1.00 0.00 H new ATOM 0 HB3 LYS A1045 2.483 -18.793 -2.664 1.00 0.00 H new ATOM 0 HG2 LYS A1045 0.703 -16.398 -3.167 1.00 0.00 H new ATOM 0 HG3 LYS A1045 2.436 -16.371 -2.907 1.00 0.00 H new ATOM 0 HD2 LYS A1045 2.669 -17.819 -5.003 1.00 0.00 H new ATOM 0 HD3 LYS A1045 0.961 -17.552 -5.290 1.00 0.00 H new ATOM 0 HE2 LYS A1045 1.429 -15.041 -5.121 1.00 0.00 H new ATOM 0 HE3 LYS A1045 3.138 -15.430 -5.094 1.00 0.00 H new ATOM 0 HZ1 LYS A1045 2.891 -15.126 -7.296 1.00 0.00 H new ATOM 0 HZ2 LYS A1045 2.428 -16.760 -7.268 1.00 0.00 H new ATOM 0 HZ3 LYS A1045 1.245 -15.542 -7.306 1.00 0.00 H new ATOM 2017 N MET A1046 -0.504 -19.998 -0.906 1.00 0.00 N ATOM 2018 CA MET A1046 -0.697 -20.876 0.229 1.00 0.00 C ATOM 2019 C MET A1046 -1.542 -22.067 -0.187 1.00 0.00 C ATOM 2020 O MET A1046 -1.311 -23.190 0.252 1.00 0.00 O ATOM 2021 CB MET A1046 -1.358 -20.107 1.368 1.00 0.00 C ATOM 2022 CG MET A1046 -1.405 -20.869 2.680 1.00 0.00 C ATOM 2023 SD MET A1046 -2.053 -19.869 4.034 1.00 0.00 S ATOM 2024 CE MET A1046 -1.947 -21.030 5.394 1.00 0.00 C ATOM 0 H MET A1046 -1.039 -19.131 -0.860 1.00 0.00 H new ATOM 0 HA MET A1046 0.268 -21.243 0.579 1.00 0.00 H new ATOM 0 HB2 MET A1046 -0.820 -19.172 1.522 1.00 0.00 H new ATOM 0 HB3 MET A1046 -2.375 -19.846 1.075 1.00 0.00 H new ATOM 0 HG2 MET A1046 -2.025 -21.757 2.559 1.00 0.00 H new ATOM 0 HG3 MET A1046 -0.402 -21.213 2.933 1.00 0.00 H new ATOM 0 HE1 MET A1046 -2.313 -20.557 6.305 1.00 0.00 H new ATOM 0 HE2 MET A1046 -2.554 -21.908 5.171 1.00 0.00 H new ATOM 0 HE3 MET A1046 -0.909 -21.333 5.534 1.00 0.00 H new ATOM 2034 N ILE A1047 -2.514 -21.814 -1.050 1.00 0.00 N ATOM 2035 CA ILE A1047 -3.277 -22.885 -1.666 1.00 0.00 C ATOM 2036 C ILE A1047 -2.329 -23.762 -2.473 1.00 0.00 C ATOM 2037 O ILE A1047 -2.351 -24.989 -2.367 1.00 0.00 O ATOM 2038 CB ILE A1047 -4.381 -22.333 -2.601 1.00 0.00 C ATOM 2039 CG1 ILE A1047 -5.325 -21.396 -1.838 1.00 0.00 C ATOM 2040 CG2 ILE A1047 -5.162 -23.469 -3.243 1.00 0.00 C ATOM 2041 CD1 ILE A1047 -6.020 -22.046 -0.661 1.00 0.00 C ATOM 0 H ILE A1047 -2.792 -20.876 -1.339 1.00 0.00 H new ATOM 0 HA ILE A1047 -3.761 -23.461 -0.877 1.00 0.00 H new ATOM 0 HB ILE A1047 -3.897 -21.760 -3.392 1.00 0.00 H new ATOM 0 HG12 ILE A1047 -4.757 -20.536 -1.482 1.00 0.00 H new ATOM 0 HG13 ILE A1047 -6.079 -21.017 -2.528 1.00 0.00 H new ATOM 0 HG21 ILE A1047 -5.932 -23.058 -3.896 1.00 0.00 H new ATOM 0 HG22 ILE A1047 -4.485 -24.091 -3.828 1.00 0.00 H new ATOM 0 HG23 ILE A1047 -5.630 -24.074 -2.466 1.00 0.00 H new ATOM 0 HD11 ILE A1047 -6.669 -21.318 -0.175 1.00 0.00 H new ATOM 0 HD12 ILE A1047 -6.617 -22.888 -1.011 1.00 0.00 H new ATOM 0 HD13 ILE A1047 -5.275 -22.401 0.051 1.00 0.00 H new ATOM 2053 N SER A1048 -1.469 -23.098 -3.240 1.00 0.00 N ATOM 2054 CA SER A1048 -0.519 -23.753 -4.126 1.00 0.00 C ATOM 2055 C SER A1048 0.387 -24.738 -3.379 1.00 0.00 C ATOM 2056 O SER A1048 0.404 -25.934 -3.685 1.00 0.00 O ATOM 2057 CB SER A1048 0.333 -22.688 -4.827 1.00 0.00 C ATOM 2058 OG SER A1048 1.107 -23.244 -5.876 1.00 0.00 O ATOM 0 H SER A1048 -1.414 -22.080 -3.262 1.00 0.00 H new ATOM 0 HA SER A1048 -1.085 -24.328 -4.859 1.00 0.00 H new ATOM 0 HB2 SER A1048 -0.315 -21.908 -5.227 1.00 0.00 H new ATOM 0 HB3 SER A1048 0.992 -22.213 -4.100 1.00 0.00 H new ATOM 0 HG SER A1048 1.636 -22.538 -6.302 1.00 0.00 H new ATOM 2064 N GLN A1049 1.145 -24.234 -2.414 1.00 0.00 N ATOM 2065 CA GLN A1049 2.126 -25.055 -1.713 1.00 0.00 C ATOM 2066 C GLN A1049 1.516 -25.780 -0.520 1.00 0.00 C ATOM 2067 O GLN A1049 1.604 -27.005 -0.423 1.00 0.00 O ATOM 2068 CB GLN A1049 3.298 -24.191 -1.248 1.00 0.00 C ATOM 2069 CG GLN A1049 4.351 -24.950 -0.450 1.00 0.00 C ATOM 2070 CD GLN A1049 4.986 -26.085 -1.230 1.00 0.00 C ATOM 2071 OE1 GLN A1049 5.096 -26.031 -2.454 1.00 0.00 O ATOM 2072 NE2 GLN A1049 5.414 -27.119 -0.524 1.00 0.00 N ATOM 0 H GLN A1049 1.101 -23.265 -2.099 1.00 0.00 H new ATOM 0 HA GLN A1049 2.480 -25.810 -2.415 1.00 0.00 H new ATOM 0 HB2 GLN A1049 3.773 -23.741 -2.120 1.00 0.00 H new ATOM 0 HB3 GLN A1049 2.914 -23.374 -0.637 1.00 0.00 H new ATOM 0 HG2 GLN A1049 5.129 -24.255 -0.133 1.00 0.00 H new ATOM 0 HG3 GLN A1049 3.894 -25.350 0.455 1.00 0.00 H new ATOM 0 HE21 GLN A1049 5.304 -27.125 0.490 1.00 0.00 H new ATOM 0 HE22 GLN A1049 5.854 -27.910 -0.994 1.00 0.00 H new