USER MOD reduce.3.24.130724 H: found=0, std=0, add=1076, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1069 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: A 100 SER OG : rot -30:sc= 1.28 USER MOD Set 1.2: A 101 THR OG1 : rot 74:sc= 1.21 USER MOD Set 2.1: A 67 ASN : amide:sc= 0.599 K(o=1.4,f=-3.7) USER MOD Set 2.2: A 79 LYS NZ :NH3+ 168:sc= 0.804 (180deg=0) USER MOD Set 3.1: A 23 MET CE :methyl 145:sc= -0.43 (180deg=-0.73) USER MOD Set 3.2: A 53 MET CE :methyl -140:sc= -2.02 (180deg=-4.91!) USER MOD Single : A 1 SER N :NH3+ 165:sc= 0.0052 (180deg=-0.0359) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0184 USER MOD Single : A 2 GLN : amide:sc= -0.44 K(o=-0.44,f=-4.2!) USER MOD Single : A 5 MET CE :methyl -132:sc= 0 (180deg=-1.22) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -0.329 X(o=-0.33,f=-0.15) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.0282 K(o=-0.028,f=-1.2) USER MOD Single : A 14 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0105) USER MOD Single : A 20 LYS NZ :NH3+ -165:sc= 1.25 (180deg=1) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0499 USER MOD Single : A 30 ASN : amide:sc=-0.00657 K(o=-0.0066,f=-0.97) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.234 X(o=-0.23,f=-0.2) USER MOD Single : A 38 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.066) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -3.9! C(o=-3.9!,f=-2.6!) USER MOD Single : A 48 THR OG1 : rot -150:sc= 0 USER MOD Single : A 56 SER OG : rot -80:sc= 0.831 USER MOD Single : A 57 THR OG1 : rot -45:sc= 0.0227 USER MOD Single : A 58 LYS NZ :NH3+ 151:sc= 1.25 (180deg=0.896) USER MOD Single : A 60 ASN : amide:sc= -0.232 X(o=-0.23,f=0) USER MOD Single : A 61 MET CE :methyl -164:sc= -0.254 (180deg=-0.84) USER MOD Single : A 69 HIS : no HD1:sc= -0.286 X(o=-0.29,f=-0.0003) USER MOD Single : A 70 HIS : no HD1:sc= -0.183 K(o=-0.18,f=-1.3) USER MOD Single : A 72 ASN : amide:sc= -0.0475 K(o=-0.048,f=-1.3!) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HD1:sc= -0.175 K(o=-0.18,f=-3.8!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl -178:sc= -0.121 (180deg=-0.141) USER MOD Single : A 88 GLN : amide:sc= -0.56 K(o=-0.56,f=0) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 95 HIS : no HE2:sc=-0.00799 X(o=-0.008,f=-0.037) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= 0.744 K(o=0.74,f=-6.4!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 THR OG1 : rot 92:sc= 1.24 USER MOD Single : A 116 THR OG1 : rot 74:sc= 1.3 USER MOD Single : A 119 LYS NZ :NH3+ 171:sc= 0.473 (180deg=0.445) USER MOD Single : A 123 HIS : no HD1:sc= -0.218 X(o=-0.22,f=-0.049) USER MOD Single : A 124 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0109) USER MOD Single : A 126 ASN : amide:sc= -0.368 K(o=-0.37,f=-1.3) USER MOD Single : A 130 SER OG : rot -110:sc= 0.0612 USER MOD Single : A 131 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 20.475 6.398 9.837 1.00 0.00 N ATOM 2 CA SER A 1 20.096 6.606 11.247 1.00 0.00 C ATOM 3 C SER A 1 18.915 7.567 11.440 1.00 0.00 C ATOM 4 O SER A 1 18.756 8.132 12.523 1.00 0.00 O ATOM 5 CB SER A 1 21.328 7.091 12.004 1.00 0.00 C ATOM 6 OG SER A 1 22.395 6.157 11.863 1.00 0.00 O ATOM 0 H1 SER A 1 21.415 5.955 9.792 1.00 0.00 H new ATOM 0 H2 SER A 1 19.777 5.778 9.378 1.00 0.00 H new ATOM 0 H3 SER A 1 20.500 7.314 9.346 1.00 0.00 H new ATOM 0 HA SER A 1 19.746 5.653 11.643 1.00 0.00 H new ATOM 0 HB2 SER A 1 21.636 8.065 11.625 1.00 0.00 H new ATOM 0 HB3 SER A 1 21.087 7.221 13.059 1.00 0.00 H new ATOM 0 HG SER A 1 23.180 6.481 12.352 1.00 0.00 H new ATOM 12 N GLN A 2 18.085 7.754 10.412 1.00 0.00 N ATOM 13 CA GLN A 2 16.900 8.600 10.469 1.00 0.00 C ATOM 14 C GLN A 2 15.856 8.053 11.451 1.00 0.00 C ATOM 15 O GLN A 2 15.912 6.891 11.859 1.00 0.00 O ATOM 16 CB GLN A 2 16.299 8.722 9.056 1.00 0.00 C ATOM 17 CG GLN A 2 17.236 9.295 7.972 1.00 0.00 C ATOM 18 CD GLN A 2 17.595 10.771 8.169 1.00 0.00 C ATOM 19 OE1 GLN A 2 17.522 11.312 9.267 1.00 0.00 O ATOM 20 NE2 GLN A 2 18.050 11.458 7.138 1.00 0.00 N ATOM 0 H GLN A 2 18.223 7.313 9.503 1.00 0.00 H new ATOM 0 HA GLN A 2 17.195 9.584 10.832 1.00 0.00 H new ATOM 0 HB2 GLN A 2 15.967 7.734 8.737 1.00 0.00 H new ATOM 0 HB3 GLN A 2 15.412 9.353 9.113 1.00 0.00 H new ATOM 0 HG2 GLN A 2 18.155 8.708 7.955 1.00 0.00 H new ATOM 0 HG3 GLN A 2 16.762 9.175 6.998 1.00 0.00 H new ATOM 0 HE21 GLN A 2 18.115 11.018 6.220 1.00 0.00 H new ATOM 0 HE22 GLN A 2 18.337 12.429 7.259 1.00 0.00 H new ATOM 29 N GLU A 3 14.873 8.885 11.809 1.00 0.00 N ATOM 30 CA GLU A 3 13.844 8.564 12.796 1.00 0.00 C ATOM 31 C GLU A 3 12.442 8.899 12.284 1.00 0.00 C ATOM 32 O GLU A 3 11.542 9.277 13.036 1.00 0.00 O ATOM 33 CB GLU A 3 14.179 9.179 14.154 1.00 0.00 C ATOM 34 CG GLU A 3 15.483 8.629 14.749 1.00 0.00 C ATOM 35 CD GLU A 3 15.767 9.263 16.104 1.00 0.00 C ATOM 36 OE1 GLU A 3 16.136 10.464 16.127 1.00 0.00 O ATOM 37 OE2 GLU A 3 15.615 8.574 17.132 1.00 0.00 O ATOM 0 H GLU A 3 14.771 9.819 11.411 1.00 0.00 H new ATOM 0 HA GLU A 3 13.835 7.485 12.952 1.00 0.00 H new ATOM 0 HB2 GLU A 3 14.261 10.261 14.048 1.00 0.00 H new ATOM 0 HB3 GLU A 3 13.359 8.988 14.847 1.00 0.00 H new ATOM 0 HG2 GLU A 3 15.411 7.547 14.856 1.00 0.00 H new ATOM 0 HG3 GLU A 3 16.311 8.828 14.069 1.00 0.00 H new ATOM 44 N VAL A 4 12.245 8.701 10.987 1.00 0.00 N ATOM 45 CA VAL A 4 10.980 8.894 10.291 1.00 0.00 C ATOM 46 C VAL A 4 10.431 7.487 10.024 1.00 0.00 C ATOM 47 O VAL A 4 10.409 6.986 8.900 1.00 0.00 O ATOM 48 CB VAL A 4 11.172 9.819 9.062 1.00 0.00 C ATOM 49 CG1 VAL A 4 9.832 10.192 8.427 1.00 0.00 C ATOM 50 CG2 VAL A 4 11.898 11.125 9.441 1.00 0.00 C ATOM 0 H VAL A 4 12.992 8.389 10.367 1.00 0.00 H new ATOM 0 HA VAL A 4 10.229 9.431 10.870 1.00 0.00 H new ATOM 0 HB VAL A 4 11.776 9.255 8.351 1.00 0.00 H new ATOM 0 HG11 VAL A 4 10.004 10.841 7.568 1.00 0.00 H new ATOM 0 HG12 VAL A 4 9.320 9.287 8.101 1.00 0.00 H new ATOM 0 HG13 VAL A 4 9.216 10.714 9.159 1.00 0.00 H new ATOM 0 HG21 VAL A 4 12.014 11.747 8.554 1.00 0.00 H new ATOM 0 HG22 VAL A 4 11.313 11.663 10.187 1.00 0.00 H new ATOM 0 HG23 VAL A 4 12.880 10.890 9.850 1.00 0.00 H new ATOM 60 N MET A 5 10.087 6.806 11.118 1.00 0.00 N ATOM 61 CA MET A 5 9.422 5.509 11.181 1.00 0.00 C ATOM 62 C MET A 5 8.303 5.562 12.237 1.00 0.00 C ATOM 63 O MET A 5 8.065 4.607 12.978 1.00 0.00 O ATOM 64 CB MET A 5 10.489 4.422 11.397 1.00 0.00 C ATOM 65 CG MET A 5 11.006 4.255 12.837 1.00 0.00 C ATOM 66 SD MET A 5 12.584 3.376 13.004 1.00 0.00 S ATOM 67 CE MET A 5 13.714 4.668 12.435 1.00 0.00 C ATOM 0 H MET A 5 10.281 7.175 12.049 1.00 0.00 H new ATOM 0 HA MET A 5 8.919 5.251 10.249 1.00 0.00 H new ATOM 0 HB2 MET A 5 10.078 3.468 11.068 1.00 0.00 H new ATOM 0 HB3 MET A 5 11.339 4.643 10.751 1.00 0.00 H new ATOM 0 HG2 MET A 5 11.112 5.244 13.283 1.00 0.00 H new ATOM 0 HG3 MET A 5 10.251 3.723 13.416 1.00 0.00 H new ATOM 0 HE1 MET A 5 14.407 4.249 11.706 1.00 0.00 H new ATOM 0 HE2 MET A 5 13.143 5.473 11.972 1.00 0.00 H new ATOM 0 HE3 MET A 5 14.274 5.061 13.284 1.00 0.00 H new ATOM 77 N LYS A 6 7.671 6.729 12.387 1.00 0.00 N ATOM 78 CA LYS A 6 6.481 6.959 13.203 1.00 0.00 C ATOM 79 C LYS A 6 5.290 6.205 12.591 1.00 0.00 C ATOM 80 O LYS A 6 5.470 5.400 11.667 1.00 0.00 O ATOM 81 CB LYS A 6 6.258 8.482 13.262 1.00 0.00 C ATOM 82 CG LYS A 6 7.366 9.233 14.024 1.00 0.00 C ATOM 83 CD LYS A 6 7.103 9.234 15.532 1.00 0.00 C ATOM 84 CE LYS A 6 8.199 9.966 16.319 1.00 0.00 C ATOM 85 NZ LYS A 6 8.057 9.736 17.776 1.00 0.00 N ATOM 0 H LYS A 6 7.992 7.577 11.920 1.00 0.00 H new ATOM 0 HA LYS A 6 6.598 6.582 14.219 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.197 8.872 12.246 1.00 0.00 H new ATOM 0 HB3 LYS A 6 5.299 8.683 13.739 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.330 8.766 13.821 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.427 10.260 13.663 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.141 9.707 15.730 1.00 0.00 H new ATOM 0 HD3 LYS A 6 7.031 8.206 15.886 1.00 0.00 H new ATOM 0 HE2 LYS A 6 9.179 9.623 15.988 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.148 11.035 16.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 8.811 10.243 18.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.131 10.086 18.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.130 8.718 17.975 1.00 0.00 H new ATOM 99 N ASN A 7 4.073 6.415 13.110 1.00 0.00 N ATOM 100 CA ASN A 7 2.881 5.793 12.547 1.00 0.00 C ATOM 101 C ASN A 7 2.700 6.271 11.104 1.00 0.00 C ATOM 102 O ASN A 7 3.394 7.182 10.653 1.00 0.00 O ATOM 103 CB ASN A 7 1.611 6.093 13.377 1.00 0.00 C ATOM 104 CG ASN A 7 0.731 7.250 12.895 1.00 0.00 C ATOM 105 OD1 ASN A 7 -0.475 7.100 12.709 1.00 0.00 O ATOM 106 ND2 ASN A 7 1.289 8.415 12.646 1.00 0.00 N ATOM 0 H ASN A 7 3.895 7.011 13.918 1.00 0.00 H new ATOM 0 HA ASN A 7 3.022 4.712 12.570 1.00 0.00 H new ATOM 0 HB2 ASN A 7 1.001 5.190 13.404 1.00 0.00 H new ATOM 0 HB3 ASN A 7 1.916 6.302 14.402 1.00 0.00 H new ATOM 0 HD21 ASN A 7 0.721 9.189 12.300 1.00 0.00 H new ATOM 0 HD22 ASN A 7 2.289 8.544 12.799 1.00 0.00 H new ATOM 113 N LEU A 8 1.689 5.719 10.444 1.00 0.00 N ATOM 114 CA LEU A 8 1.208 6.128 9.138 1.00 0.00 C ATOM 115 C LEU A 8 1.223 7.645 8.949 1.00 0.00 C ATOM 116 O LEU A 8 0.610 8.386 9.725 1.00 0.00 O ATOM 117 CB LEU A 8 -0.183 5.499 8.959 1.00 0.00 C ATOM 118 CG LEU A 8 -0.882 5.775 7.624 1.00 0.00 C ATOM 119 CD1 LEU A 8 -1.521 7.163 7.547 1.00 0.00 C ATOM 120 CD2 LEU A 8 -0.004 5.450 6.409 1.00 0.00 C ATOM 0 H LEU A 8 1.159 4.936 10.827 1.00 0.00 H new ATOM 0 HA LEU A 8 1.877 5.771 8.355 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.089 4.420 9.080 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.827 5.856 9.763 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.715 5.073 7.585 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.998 7.291 6.575 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.268 7.264 8.334 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.753 7.925 7.677 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.555 5.666 5.494 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.900 6.058 6.441 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.267 4.394 6.428 1.00 0.00 H new ATOM 132 N SER A 9 1.916 8.106 7.911 1.00 0.00 N ATOM 133 CA SER A 9 2.045 9.507 7.536 1.00 0.00 C ATOM 134 C SER A 9 1.419 9.790 6.170 1.00 0.00 C ATOM 135 O SER A 9 1.004 10.929 5.936 1.00 0.00 O ATOM 136 CB SER A 9 3.524 9.899 7.553 1.00 0.00 C ATOM 137 OG SER A 9 4.096 9.757 8.844 1.00 0.00 O ATOM 0 H SER A 9 2.424 7.484 7.282 1.00 0.00 H new ATOM 0 HA SER A 9 1.501 10.112 8.261 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.072 9.279 6.843 1.00 0.00 H new ATOM 0 HB3 SER A 9 3.629 10.932 7.221 1.00 0.00 H new ATOM 0 HG SER A 9 5.041 10.015 8.813 1.00 0.00 H new ATOM 143 N LEU A 10 1.298 8.793 5.283 1.00 0.00 N ATOM 144 CA LEU A 10 0.607 8.975 4.005 1.00 0.00 C ATOM 145 C LEU A 10 -0.857 9.382 4.224 1.00 0.00 C ATOM 146 O LEU A 10 -1.502 8.929 5.170 1.00 0.00 O ATOM 147 CB LEU A 10 0.686 7.706 3.140 1.00 0.00 C ATOM 148 CG LEU A 10 2.048 7.335 2.512 1.00 0.00 C ATOM 149 CD1 LEU A 10 1.863 6.233 1.471 1.00 0.00 C ATOM 150 CD2 LEU A 10 2.703 8.560 1.863 1.00 0.00 C ATOM 0 H LEU A 10 1.670 7.855 5.429 1.00 0.00 H new ATOM 0 HA LEU A 10 1.113 9.780 3.472 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.361 6.865 3.752 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.037 7.809 2.331 1.00 0.00 H new ATOM 0 HG LEU A 10 2.702 6.974 3.306 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.829 5.979 1.034 1.00 0.00 H new ATOM 0 HD12 LEU A 10 1.437 5.350 1.948 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.191 6.582 0.687 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.660 8.273 1.428 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.051 8.950 1.081 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.864 9.330 2.618 1.00 0.00 H new ATOM 162 N ASN A 11 -1.425 10.224 3.354 1.00 0.00 N ATOM 163 CA ASN A 11 -2.744 10.830 3.590 1.00 0.00 C ATOM 164 C ASN A 11 -3.895 9.905 3.163 1.00 0.00 C ATOM 165 O ASN A 11 -4.712 10.228 2.295 1.00 0.00 O ATOM 166 CB ASN A 11 -2.836 12.223 2.954 1.00 0.00 C ATOM 167 CG ASN A 11 -3.854 13.071 3.714 1.00 0.00 C ATOM 168 OD1 ASN A 11 -4.940 12.622 4.064 1.00 0.00 O ATOM 169 ND2 ASN A 11 -3.497 14.290 4.066 1.00 0.00 N ATOM 0 H ASN A 11 -0.991 10.504 2.475 1.00 0.00 H new ATOM 0 HA ASN A 11 -2.855 10.964 4.666 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -1.859 12.707 2.973 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -3.129 12.137 1.908 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -4.125 14.862 4.631 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -2.593 14.661 3.774 1.00 0.00 H new ATOM 176 N PHE A 12 -3.928 8.697 3.725 1.00 0.00 N ATOM 177 CA PHE A 12 -4.815 7.645 3.274 1.00 0.00 C ATOM 178 C PHE A 12 -6.266 7.911 3.597 1.00 0.00 C ATOM 179 O PHE A 12 -7.095 7.527 2.789 1.00 0.00 O ATOM 180 CB PHE A 12 -4.414 6.305 3.866 1.00 0.00 C ATOM 181 CG PHE A 12 -3.294 5.611 3.121 1.00 0.00 C ATOM 182 CD1 PHE A 12 -3.533 5.028 1.864 1.00 0.00 C ATOM 183 CD2 PHE A 12 -2.018 5.524 3.691 1.00 0.00 C ATOM 184 CE1 PHE A 12 -2.492 4.386 1.176 1.00 0.00 C ATOM 185 CE2 PHE A 12 -0.986 4.841 3.023 1.00 0.00 C ATOM 186 CZ PHE A 12 -1.217 4.292 1.756 1.00 0.00 C ATOM 0 H PHE A 12 -3.334 8.427 4.509 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.715 7.621 2.189 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -4.109 6.454 4.902 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.286 5.651 3.881 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -4.520 5.074 1.427 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.825 5.984 4.649 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.672 3.963 0.199 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -0.016 4.740 3.487 1.00 0.00 H new ATOM 0 HZ PHE A 12 -0.416 3.797 1.226 1.00 0.00 H new ATOM 196 N GLY A 13 -6.606 8.554 4.712 1.00 0.00 N ATOM 197 CA GLY A 13 -8.005 8.749 5.091 1.00 0.00 C ATOM 198 C GLY A 13 -8.814 9.370 3.954 1.00 0.00 C ATOM 199 O GLY A 13 -9.856 8.846 3.558 1.00 0.00 O ATOM 0 H GLY A 13 -5.933 8.949 5.369 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.444 7.791 5.370 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -8.058 9.392 5.970 1.00 0.00 H new ATOM 203 N LYS A 14 -8.277 10.442 3.363 1.00 0.00 N ATOM 204 CA LYS A 14 -8.805 11.092 2.166 1.00 0.00 C ATOM 205 C LYS A 14 -8.847 10.148 0.969 1.00 0.00 C ATOM 206 O LYS A 14 -9.894 10.007 0.350 1.00 0.00 O ATOM 207 CB LYS A 14 -7.937 12.326 1.854 1.00 0.00 C ATOM 208 CG LYS A 14 -8.510 13.628 2.437 1.00 0.00 C ATOM 209 CD LYS A 14 -9.220 14.463 1.357 1.00 0.00 C ATOM 210 CE LYS A 14 -8.224 15.255 0.491 1.00 0.00 C ATOM 211 NZ LYS A 14 -7.609 16.406 1.191 1.00 0.00 N ATOM 0 H LYS A 14 -7.435 10.894 3.719 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.835 11.394 2.359 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.934 12.167 2.251 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.839 12.431 0.773 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.212 13.392 3.237 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -7.706 14.214 2.882 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -9.810 13.804 0.720 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -9.916 15.154 1.833 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.435 14.583 0.154 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -8.738 15.616 -0.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -7.003 16.932 0.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.356 17.034 1.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -7.035 16.062 1.987 1.00 0.00 H new ATOM 225 N ALA A 15 -7.727 9.523 0.608 1.00 0.00 N ATOM 226 CA ALA A 15 -7.647 8.662 -0.571 1.00 0.00 C ATOM 227 C ALA A 15 -8.596 7.458 -0.471 1.00 0.00 C ATOM 228 O ALA A 15 -9.224 7.065 -1.451 1.00 0.00 O ATOM 229 CB ALA A 15 -6.211 8.172 -0.692 1.00 0.00 C ATOM 0 H ALA A 15 -6.850 9.599 1.124 1.00 0.00 H new ATOM 0 HA ALA A 15 -7.947 9.235 -1.449 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.119 7.526 -1.565 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.543 9.026 -0.802 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.941 7.613 0.204 1.00 0.00 H new ATOM 235 N LEU A 16 -8.724 6.863 0.716 1.00 0.00 N ATOM 236 CA LEU A 16 -9.681 5.814 1.036 1.00 0.00 C ATOM 237 C LEU A 16 -11.088 6.356 0.879 1.00 0.00 C ATOM 238 O LEU A 16 -11.931 5.650 0.341 1.00 0.00 O ATOM 239 CB LEU A 16 -9.523 5.331 2.488 1.00 0.00 C ATOM 240 CG LEU A 16 -8.319 4.432 2.793 1.00 0.00 C ATOM 241 CD1 LEU A 16 -8.391 3.998 4.257 1.00 0.00 C ATOM 242 CD2 LEU A 16 -8.304 3.166 1.940 1.00 0.00 C ATOM 0 H LEU A 16 -8.136 7.113 1.511 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.498 4.980 0.359 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.463 6.208 3.133 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.428 4.792 2.766 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.420 5.008 2.574 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.540 3.357 4.489 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.368 4.879 4.899 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.316 3.448 4.428 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.431 2.565 2.196 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -9.209 2.589 2.129 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.261 3.438 0.885 1.00 0.00 H new ATOM 254 N ASP A 17 -11.346 7.599 1.290 1.00 0.00 N ATOM 255 CA ASP A 17 -12.642 8.244 1.102 1.00 0.00 C ATOM 256 C ASP A 17 -12.933 8.597 -0.356 1.00 0.00 C ATOM 257 O ASP A 17 -13.990 9.142 -0.666 1.00 0.00 O ATOM 258 CB ASP A 17 -12.750 9.530 1.913 1.00 0.00 C ATOM 259 CG ASP A 17 -14.211 9.938 2.128 1.00 0.00 C ATOM 260 OD1 ASP A 17 -15.071 9.060 2.384 1.00 0.00 O ATOM 261 OD2 ASP A 17 -14.493 11.157 2.080 1.00 0.00 O ATOM 0 H ASP A 17 -10.659 8.186 1.763 1.00 0.00 H new ATOM 0 HA ASP A 17 -13.370 7.508 1.443 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -12.263 9.394 2.879 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -12.219 10.331 1.399 1.00 0.00 H new ATOM 266 N GLU A 18 -11.997 8.335 -1.261 1.00 0.00 N ATOM 267 CA GLU A 18 -12.239 8.320 -2.690 1.00 0.00 C ATOM 268 C GLU A 18 -12.441 6.880 -3.136 1.00 0.00 C ATOM 269 O GLU A 18 -13.454 6.575 -3.751 1.00 0.00 O ATOM 270 CB GLU A 18 -11.119 9.037 -3.449 1.00 0.00 C ATOM 271 CG GLU A 18 -11.025 10.501 -3.027 1.00 0.00 C ATOM 272 CD GLU A 18 -10.545 11.425 -4.141 1.00 0.00 C ATOM 273 OE1 GLU A 18 -9.718 11.020 -4.995 1.00 0.00 O ATOM 274 OE2 GLU A 18 -11.086 12.555 -4.184 1.00 0.00 O ATOM 0 H GLU A 18 -11.031 8.123 -1.012 1.00 0.00 H new ATOM 0 HA GLU A 18 -13.147 8.875 -2.924 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -10.169 8.538 -3.259 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -11.303 8.975 -4.521 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -12.004 10.836 -2.685 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.345 10.584 -2.179 1.00 0.00 H new ATOM 281 N CYS A 19 -11.556 5.957 -2.761 1.00 0.00 N ATOM 282 CA CYS A 19 -11.662 4.552 -3.107 1.00 0.00 C ATOM 283 C CYS A 19 -12.980 3.919 -2.661 1.00 0.00 C ATOM 284 O CYS A 19 -13.661 3.278 -3.458 1.00 0.00 O ATOM 285 CB CYS A 19 -10.443 3.836 -2.529 1.00 0.00 C ATOM 286 SG CYS A 19 -8.972 4.071 -3.549 1.00 0.00 S ATOM 0 H CYS A 19 -10.733 6.175 -2.199 1.00 0.00 H new ATOM 0 HA CYS A 19 -11.673 4.450 -4.192 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -10.249 4.206 -1.522 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -10.656 2.771 -2.441 1.00 0.00 H new ATOM 291 N LYS A 20 -13.397 4.125 -1.413 1.00 0.00 N ATOM 292 CA LYS A 20 -14.684 3.654 -0.908 1.00 0.00 C ATOM 293 C LYS A 20 -15.843 4.241 -1.704 1.00 0.00 C ATOM 294 O LYS A 20 -16.933 3.669 -1.691 1.00 0.00 O ATOM 295 CB LYS A 20 -14.809 3.957 0.598 1.00 0.00 C ATOM 296 CG LYS A 20 -14.980 5.449 0.941 1.00 0.00 C ATOM 297 CD LYS A 20 -16.417 5.916 1.202 1.00 0.00 C ATOM 298 CE LYS A 20 -16.921 5.339 2.533 1.00 0.00 C ATOM 299 NZ LYS A 20 -17.676 6.323 3.338 1.00 0.00 N ATOM 0 H LYS A 20 -12.845 4.628 -0.718 1.00 0.00 H new ATOM 0 HA LYS A 20 -14.731 2.573 -1.038 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -15.661 3.406 0.996 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -13.921 3.581 1.106 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -14.381 5.670 1.824 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -14.570 6.040 0.122 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -16.455 7.005 1.230 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -17.066 5.595 0.387 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -17.557 4.477 2.332 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -16.071 4.979 3.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -17.771 5.974 4.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -17.168 7.230 3.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -18.621 6.458 2.925 1.00 0.00 H new ATOM 313 N LYS A 21 -15.650 5.384 -2.371 1.00 0.00 N ATOM 314 CA LYS A 21 -16.667 5.992 -3.200 1.00 0.00 C ATOM 315 C LYS A 21 -16.636 5.366 -4.585 1.00 0.00 C ATOM 316 O LYS A 21 -17.692 4.922 -5.029 1.00 0.00 O ATOM 317 CB LYS A 21 -16.560 7.524 -3.211 1.00 0.00 C ATOM 318 CG LYS A 21 -16.721 8.034 -1.775 1.00 0.00 C ATOM 319 CD LYS A 21 -16.812 9.559 -1.684 1.00 0.00 C ATOM 320 CE LYS A 21 -16.925 9.976 -0.209 1.00 0.00 C ATOM 321 NZ LYS A 21 -18.277 9.751 0.344 1.00 0.00 N ATOM 0 H LYS A 21 -14.775 5.907 -2.343 1.00 0.00 H new ATOM 0 HA LYS A 21 -17.649 5.787 -2.773 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -15.597 7.833 -3.617 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -17.329 7.953 -3.853 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -17.619 7.596 -1.339 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -15.877 7.690 -1.177 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -15.931 10.015 -2.136 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -17.677 9.917 -2.242 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -16.198 9.416 0.380 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -16.668 11.031 -0.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -18.299 10.049 1.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -18.970 10.305 -0.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -18.515 8.741 0.279 1.00 0.00 H new ATOM 335 N GLU A 22 -15.458 5.270 -5.209 1.00 0.00 N ATOM 336 CA GLU A 22 -15.230 4.664 -6.514 1.00 0.00 C ATOM 337 C GLU A 22 -15.857 3.273 -6.542 1.00 0.00 C ATOM 338 O GLU A 22 -16.797 3.025 -7.299 1.00 0.00 O ATOM 339 CB GLU A 22 -13.727 4.532 -6.830 1.00 0.00 C ATOM 340 CG GLU A 22 -13.007 5.815 -7.269 1.00 0.00 C ATOM 341 CD GLU A 22 -11.818 5.468 -8.176 1.00 0.00 C ATOM 342 OE1 GLU A 22 -12.056 4.904 -9.271 1.00 0.00 O ATOM 343 OE2 GLU A 22 -10.641 5.697 -7.814 1.00 0.00 O ATOM 0 H GLU A 22 -14.600 5.632 -4.794 1.00 0.00 H new ATOM 0 HA GLU A 22 -15.684 5.312 -7.264 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.224 4.144 -5.944 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.607 3.787 -7.616 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.701 6.467 -7.799 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.659 6.364 -6.394 1.00 0.00 H new ATOM 350 N MET A 23 -15.351 2.369 -5.698 1.00 0.00 N ATOM 351 CA MET A 23 -15.719 0.960 -5.784 1.00 0.00 C ATOM 352 C MET A 23 -17.060 0.693 -5.096 1.00 0.00 C ATOM 353 O MET A 23 -17.519 -0.448 -5.117 1.00 0.00 O ATOM 354 CB MET A 23 -14.638 0.002 -5.232 1.00 0.00 C ATOM 355 CG MET A 23 -13.256 0.576 -4.910 1.00 0.00 C ATOM 356 SD MET A 23 -11.902 -0.619 -4.932 1.00 0.00 S ATOM 357 CE MET A 23 -11.630 -0.710 -6.721 1.00 0.00 C ATOM 0 H MET A 23 -14.690 2.589 -4.953 1.00 0.00 H new ATOM 0 HA MET A 23 -15.812 0.748 -6.849 1.00 0.00 H new ATOM 0 HB2 MET A 23 -15.030 -0.452 -4.322 1.00 0.00 H new ATOM 0 HB3 MET A 23 -14.504 -0.801 -5.957 1.00 0.00 H new ATOM 0 HG2 MET A 23 -13.033 1.367 -5.626 1.00 0.00 H new ATOM 0 HG3 MET A 23 -13.294 1.040 -3.924 1.00 0.00 H new ATOM 0 HE1 MET A 23 -10.567 -0.845 -6.921 1.00 0.00 H new ATOM 0 HE2 MET A 23 -12.186 -1.553 -7.131 1.00 0.00 H new ATOM 0 HE3 MET A 23 -11.973 0.213 -7.189 1.00 0.00 H new ATOM 367 N THR A 24 -17.650 1.714 -4.471 1.00 0.00 N ATOM 368 CA THR A 24 -18.726 1.618 -3.503 1.00 0.00 C ATOM 369 C THR A 24 -18.417 0.538 -2.448 1.00 0.00 C ATOM 370 O THR A 24 -19.183 -0.399 -2.215 1.00 0.00 O ATOM 371 CB THR A 24 -20.074 1.484 -4.233 1.00 0.00 C ATOM 372 OG1 THR A 24 -20.211 2.490 -5.229 1.00 0.00 O ATOM 373 CG2 THR A 24 -21.227 1.662 -3.248 1.00 0.00 C ATOM 0 H THR A 24 -17.369 2.680 -4.641 1.00 0.00 H new ATOM 0 HA THR A 24 -18.810 2.536 -2.921 1.00 0.00 H new ATOM 0 HB THR A 24 -20.101 0.494 -4.689 1.00 0.00 H new ATOM 0 HG1 THR A 24 -21.074 2.386 -5.682 1.00 0.00 H new ATOM 0 HG21 THR A 24 -22.175 1.565 -3.777 1.00 0.00 H new ATOM 0 HG22 THR A 24 -21.164 0.899 -2.472 1.00 0.00 H new ATOM 0 HG23 THR A 24 -21.166 2.650 -2.791 1.00 0.00 H new ATOM 381 N LEU A 25 -17.276 0.687 -1.772 1.00 0.00 N ATOM 382 CA LEU A 25 -16.942 -0.170 -0.632 1.00 0.00 C ATOM 383 C LEU A 25 -17.678 0.358 0.600 1.00 0.00 C ATOM 384 O LEU A 25 -18.257 1.449 0.585 1.00 0.00 O ATOM 385 CB LEU A 25 -15.430 -0.209 -0.323 1.00 0.00 C ATOM 386 CG LEU A 25 -14.489 -0.472 -1.512 1.00 0.00 C ATOM 387 CD1 LEU A 25 -13.030 -0.252 -1.098 1.00 0.00 C ATOM 388 CD2 LEU A 25 -14.650 -1.899 -2.042 1.00 0.00 C ATOM 0 H LEU A 25 -16.570 1.390 -1.993 1.00 0.00 H new ATOM 0 HA LEU A 25 -17.245 -1.185 -0.887 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -15.150 0.743 0.129 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -15.255 -0.981 0.427 1.00 0.00 H new ATOM 0 HG LEU A 25 -14.756 0.229 -2.303 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -12.377 -0.442 -1.950 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -12.898 0.777 -0.762 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -12.775 -0.934 -0.287 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -13.972 -2.054 -2.881 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -14.415 -2.610 -1.250 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -15.678 -2.051 -2.373 1.00 0.00 H new ATOM 400 N THR A 26 -17.575 -0.383 1.695 1.00 0.00 N ATOM 401 CA THR A 26 -18.109 -0.027 3.000 1.00 0.00 C ATOM 402 C THR A 26 -17.240 1.066 3.630 1.00 0.00 C ATOM 403 O THR A 26 -16.048 1.128 3.348 1.00 0.00 O ATOM 404 CB THR A 26 -18.122 -1.290 3.877 1.00 0.00 C ATOM 405 OG1 THR A 26 -16.874 -1.955 3.796 1.00 0.00 O ATOM 406 CG2 THR A 26 -19.199 -2.284 3.430 1.00 0.00 C ATOM 0 H THR A 26 -17.098 -1.284 1.697 1.00 0.00 H new ATOM 0 HA THR A 26 -19.124 0.360 2.908 1.00 0.00 H new ATOM 0 HB THR A 26 -18.329 -0.961 4.895 1.00 0.00 H new ATOM 0 HG1 THR A 26 -16.893 -2.757 4.360 1.00 0.00 H new ATOM 0 HG21 THR A 26 -19.174 -3.162 4.076 1.00 0.00 H new ATOM 0 HG22 THR A 26 -20.179 -1.812 3.496 1.00 0.00 H new ATOM 0 HG23 THR A 26 -19.010 -2.586 2.400 1.00 0.00 H new ATOM 414 N ASP A 27 -17.784 1.851 4.560 1.00 0.00 N ATOM 415 CA ASP A 27 -17.032 2.830 5.357 1.00 0.00 C ATOM 416 C ASP A 27 -15.943 2.145 6.190 1.00 0.00 C ATOM 417 O ASP A 27 -14.864 2.701 6.398 1.00 0.00 O ATOM 418 CB ASP A 27 -17.991 3.595 6.280 1.00 0.00 C ATOM 419 CG ASP A 27 -17.444 4.948 6.733 1.00 0.00 C ATOM 420 OD1 ASP A 27 -16.759 5.062 7.775 1.00 0.00 O ATOM 421 OD2 ASP A 27 -17.740 5.958 6.051 1.00 0.00 O ATOM 0 H ASP A 27 -18.778 1.827 4.787 1.00 0.00 H new ATOM 0 HA ASP A 27 -16.549 3.528 4.673 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -18.938 3.749 5.762 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -18.204 2.985 7.158 1.00 0.00 H new ATOM 426 N ALA A 28 -16.217 0.902 6.604 1.00 0.00 N ATOM 427 CA ALA A 28 -15.402 0.067 7.475 1.00 0.00 C ATOM 428 C ALA A 28 -13.951 -0.085 7.004 1.00 0.00 C ATOM 429 O ALA A 28 -13.072 -0.259 7.848 1.00 0.00 O ATOM 430 CB ALA A 28 -16.073 -1.307 7.582 1.00 0.00 C ATOM 0 H ALA A 28 -17.073 0.427 6.316 1.00 0.00 H new ATOM 0 HA ALA A 28 -15.343 0.558 8.446 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -15.480 -1.952 8.231 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -17.073 -1.192 8.000 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -16.144 -1.755 6.591 1.00 0.00 H new ATOM 436 N ILE A 29 -13.694 0.011 5.691 1.00 0.00 N ATOM 437 CA ILE A 29 -12.358 -0.022 5.087 1.00 0.00 C ATOM 438 C ILE A 29 -11.428 1.037 5.668 1.00 0.00 C ATOM 439 O ILE A 29 -10.220 0.856 5.575 1.00 0.00 O ATOM 440 CB ILE A 29 -12.443 -0.019 3.544 1.00 0.00 C ATOM 441 CG1 ILE A 29 -12.884 1.318 2.918 1.00 0.00 C ATOM 442 CG2 ILE A 29 -13.358 -1.148 3.046 1.00 0.00 C ATOM 443 CD1 ILE A 29 -11.772 2.358 2.948 1.00 0.00 C ATOM 0 H ILE A 29 -14.436 0.117 5.000 1.00 0.00 H new ATOM 0 HA ILE A 29 -11.890 -0.968 5.357 1.00 0.00 H new ATOM 0 HB ILE A 29 -11.418 -0.181 3.212 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -13.195 1.150 1.887 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -13.752 1.700 3.455 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -13.403 -1.126 1.957 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -12.962 -2.109 3.374 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -14.360 -1.011 3.453 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -12.128 3.284 2.496 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -11.478 2.547 3.981 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.913 1.988 2.388 1.00 0.00 H new ATOM 455 N ASN A 30 -11.953 2.093 6.298 1.00 0.00 N ATOM 456 CA ASN A 30 -11.125 3.108 6.931 1.00 0.00 C ATOM 457 C ASN A 30 -10.190 2.459 7.943 1.00 0.00 C ATOM 458 O ASN A 30 -8.988 2.681 7.890 1.00 0.00 O ATOM 459 CB ASN A 30 -11.994 4.176 7.596 1.00 0.00 C ATOM 460 CG ASN A 30 -11.235 5.483 7.805 1.00 0.00 C ATOM 461 OD1 ASN A 30 -10.115 5.515 8.297 1.00 0.00 O ATOM 462 ND2 ASN A 30 -11.843 6.600 7.462 1.00 0.00 N ATOM 0 H ASN A 30 -12.956 2.262 6.380 1.00 0.00 H new ATOM 0 HA ASN A 30 -10.522 3.598 6.166 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -12.874 4.362 6.980 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -12.350 3.806 8.557 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -11.380 7.498 7.606 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -12.777 6.567 7.052 1.00 0.00 H new ATOM 469 N GLU A 31 -10.712 1.625 8.847 1.00 0.00 N ATOM 470 CA GLU A 31 -9.944 1.046 9.904 1.00 0.00 C ATOM 471 C GLU A 31 -9.541 -0.380 9.517 1.00 0.00 C ATOM 472 O GLU A 31 -8.402 -0.737 9.807 1.00 0.00 O ATOM 473 CB GLU A 31 -10.799 1.210 11.163 1.00 0.00 C ATOM 474 CG GLU A 31 -10.549 0.146 12.209 1.00 0.00 C ATOM 475 CD GLU A 31 -10.478 0.752 13.606 1.00 0.00 C ATOM 476 OE1 GLU A 31 -11.539 1.001 14.225 1.00 0.00 O ATOM 477 OE2 GLU A 31 -9.355 1.112 14.038 1.00 0.00 O ATOM 0 H GLU A 31 -11.692 1.343 8.848 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.986 1.528 10.099 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -10.604 2.189 11.599 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -11.852 1.191 10.882 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.345 -0.598 12.172 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -9.617 -0.374 11.987 1.00 0.00 H new ATOM 484 N ASP A 32 -10.383 -1.146 8.806 1.00 0.00 N ATOM 485 CA ASP A 32 -10.062 -2.520 8.363 1.00 0.00 C ATOM 486 C ASP A 32 -8.755 -2.515 7.567 1.00 0.00 C ATOM 487 O ASP A 32 -7.958 -3.448 7.646 1.00 0.00 O ATOM 488 CB ASP A 32 -11.153 -3.104 7.440 1.00 0.00 C ATOM 489 CG ASP A 32 -12.104 -4.113 8.084 1.00 0.00 C ATOM 490 OD1 ASP A 32 -11.702 -5.264 8.347 1.00 0.00 O ATOM 491 OD2 ASP A 32 -13.320 -3.796 8.157 1.00 0.00 O ATOM 0 H ASP A 32 -11.310 -0.832 8.519 1.00 0.00 H new ATOM 0 HA ASP A 32 -9.985 -3.129 9.263 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -11.745 -2.279 7.042 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.665 -3.584 6.592 1.00 0.00 H new ATOM 496 N PHE A 33 -8.529 -1.461 6.772 1.00 0.00 N ATOM 497 CA PHE A 33 -7.285 -1.285 6.044 1.00 0.00 C ATOM 498 C PHE A 33 -6.120 -1.140 7.017 1.00 0.00 C ATOM 499 O PHE A 33 -5.123 -1.849 6.883 1.00 0.00 O ATOM 500 CB PHE A 33 -7.400 -0.076 5.107 1.00 0.00 C ATOM 501 CG PHE A 33 -6.172 0.148 4.237 1.00 0.00 C ATOM 502 CD1 PHE A 33 -4.937 0.525 4.809 1.00 0.00 C ATOM 503 CD2 PHE A 33 -6.245 -0.048 2.846 1.00 0.00 C ATOM 504 CE1 PHE A 33 -3.791 0.609 4.005 1.00 0.00 C ATOM 505 CE2 PHE A 33 -5.106 0.139 2.043 1.00 0.00 C ATOM 506 CZ PHE A 33 -3.872 0.458 2.630 1.00 0.00 C ATOM 0 H PHE A 33 -9.207 -0.714 6.622 1.00 0.00 H new ATOM 0 HA PHE A 33 -7.091 -2.166 5.433 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -8.270 -0.209 4.464 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -7.578 0.818 5.704 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -4.875 0.748 5.864 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.180 -0.343 2.393 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.831 0.794 4.464 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -5.181 0.037 0.970 1.00 0.00 H new ATOM 0 HZ PHE A 33 -2.993 0.585 2.015 1.00 0.00 H new ATOM 516 N TYR A 34 -6.207 -0.181 7.939 1.00 0.00 N ATOM 517 CA TYR A 34 -5.126 0.171 8.851 1.00 0.00 C ATOM 518 C TYR A 34 -4.817 -1.028 9.767 1.00 0.00 C ATOM 519 O TYR A 34 -3.659 -1.284 10.093 1.00 0.00 O ATOM 520 CB TYR A 34 -5.547 1.390 9.692 1.00 0.00 C ATOM 521 CG TYR A 34 -5.485 2.776 9.051 1.00 0.00 C ATOM 522 CD1 TYR A 34 -6.105 3.060 7.817 1.00 0.00 C ATOM 523 CD2 TYR A 34 -4.864 3.829 9.749 1.00 0.00 C ATOM 524 CE1 TYR A 34 -6.170 4.375 7.321 1.00 0.00 C ATOM 525 CE2 TYR A 34 -4.877 5.142 9.247 1.00 0.00 C ATOM 526 CZ TYR A 34 -5.563 5.430 8.044 1.00 0.00 C ATOM 527 OH TYR A 34 -5.627 6.712 7.587 1.00 0.00 O ATOM 0 H TYR A 34 -7.047 0.381 8.073 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.230 0.422 8.284 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -6.572 1.225 10.025 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -4.921 1.409 10.584 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -6.538 2.254 7.243 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -4.369 3.625 10.687 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -6.681 4.579 6.392 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -4.364 5.930 9.779 1.00 0.00 H new ATOM 0 HH TYR A 34 -5.157 7.305 8.210 1.00 0.00 H new ATOM 537 N ASN A 35 -5.839 -1.795 10.168 1.00 0.00 N ATOM 538 CA ASN A 35 -5.730 -2.995 10.970 1.00 0.00 C ATOM 539 C ASN A 35 -4.859 -4.039 10.279 1.00 0.00 C ATOM 540 O ASN A 35 -4.165 -4.778 10.971 1.00 0.00 O ATOM 541 CB ASN A 35 -7.124 -3.588 11.199 1.00 0.00 C ATOM 542 CG ASN A 35 -8.100 -2.803 12.067 1.00 0.00 C ATOM 543 OD1 ASN A 35 -9.303 -2.964 11.937 1.00 0.00 O ATOM 544 ND2 ASN A 35 -7.645 -1.925 12.947 1.00 0.00 N ATOM 0 H ASN A 35 -6.805 -1.575 9.924 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.271 -2.726 11.921 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -7.588 -3.736 10.224 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.998 -4.574 11.646 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -8.299 -1.385 13.514 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -6.640 -1.788 13.058 1.00 0.00 H new ATOM 551 N PHE A 36 -4.834 -4.087 8.939 1.00 0.00 N ATOM 552 CA PHE A 36 -4.019 -5.043 8.194 1.00 0.00 C ATOM 553 C PHE A 36 -2.539 -4.949 8.599 1.00 0.00 C ATOM 554 O PHE A 36 -1.843 -5.960 8.561 1.00 0.00 O ATOM 555 CB PHE A 36 -4.205 -4.848 6.678 1.00 0.00 C ATOM 556 CG PHE A 36 -3.805 -5.978 5.725 1.00 0.00 C ATOM 557 CD1 PHE A 36 -3.325 -7.231 6.163 1.00 0.00 C ATOM 558 CD2 PHE A 36 -3.933 -5.761 4.339 1.00 0.00 C ATOM 559 CE1 PHE A 36 -2.973 -8.228 5.236 1.00 0.00 C ATOM 560 CE2 PHE A 36 -3.576 -6.752 3.408 1.00 0.00 C ATOM 561 CZ PHE A 36 -3.087 -7.990 3.858 1.00 0.00 C ATOM 0 H PHE A 36 -5.380 -3.462 8.346 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.358 -6.048 8.446 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.258 -4.628 6.502 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.641 -3.961 6.390 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.227 -7.426 7.221 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.313 -4.814 3.985 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.612 -9.184 5.587 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.677 -6.562 2.350 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.801 -8.753 3.149 1.00 0.00 H new ATOM 571 N TRP A 37 -2.028 -3.777 9.002 1.00 0.00 N ATOM 572 CA TRP A 37 -0.618 -3.657 9.362 1.00 0.00 C ATOM 573 C TRP A 37 -0.297 -4.142 10.773 1.00 0.00 C ATOM 574 O TRP A 37 0.882 -4.142 11.141 1.00 0.00 O ATOM 575 CB TRP A 37 -0.146 -2.208 9.297 1.00 0.00 C ATOM 576 CG TRP A 37 -0.638 -1.365 8.182 1.00 0.00 C ATOM 577 CD1 TRP A 37 -0.672 -1.685 6.873 1.00 0.00 C ATOM 578 CD2 TRP A 37 -1.189 -0.033 8.301 1.00 0.00 C ATOM 579 NE1 TRP A 37 -1.198 -0.627 6.165 1.00 0.00 N ATOM 580 CE2 TRP A 37 -1.539 0.420 7.001 1.00 0.00 C ATOM 581 CE3 TRP A 37 -1.442 0.818 9.396 1.00 0.00 C ATOM 582 CZ2 TRP A 37 -2.122 1.678 6.810 1.00 0.00 C ATOM 583 CZ3 TRP A 37 -2.030 2.075 9.215 1.00 0.00 C ATOM 584 CH2 TRP A 37 -2.385 2.490 7.925 1.00 0.00 C ATOM 0 H TRP A 37 -2.565 -2.914 9.084 1.00 0.00 H new ATOM 0 HA TRP A 37 -0.107 -4.287 8.634 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -0.428 -1.723 10.232 1.00 0.00 H new ATOM 0 HB3 TRP A 37 0.943 -2.213 9.256 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.340 -2.621 6.448 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -1.320 -0.617 5.152 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -1.177 0.494 10.392 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -2.367 2.021 5.816 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -2.209 2.720 10.063 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -2.867 3.446 7.786 1.00 0.00 H new ATOM 595 N LYS A 38 -1.296 -4.408 11.616 1.00 0.00 N ATOM 596 CA LYS A 38 -1.063 -4.833 12.985 1.00 0.00 C ATOM 597 C LYS A 38 -0.489 -6.243 12.970 1.00 0.00 C ATOM 598 O LYS A 38 -0.756 -7.031 12.060 1.00 0.00 O ATOM 599 CB LYS A 38 -2.381 -4.755 13.761 1.00 0.00 C ATOM 600 CG LYS A 38 -2.813 -3.297 13.960 1.00 0.00 C ATOM 601 CD LYS A 38 -4.179 -3.227 14.656 1.00 0.00 C ATOM 602 CE LYS A 38 -4.290 -2.255 15.830 1.00 0.00 C ATOM 603 NZ LYS A 38 -3.793 -0.901 15.525 1.00 0.00 N ATOM 0 H LYS A 38 -2.282 -4.334 11.365 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.344 -4.182 13.483 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.157 -5.298 13.223 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.266 -5.240 14.730 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.068 -2.770 14.556 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.864 -2.793 12.995 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.928 -2.954 13.913 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.433 -4.225 15.013 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.333 -2.189 16.139 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.732 -2.656 16.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.050 -0.254 16.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -2.758 -0.926 15.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.219 -0.566 14.637 1.00 0.00 H new ATOM 617 N GLU A 39 0.316 -6.559 13.974 1.00 0.00 N ATOM 618 CA GLU A 39 0.927 -7.868 14.059 1.00 0.00 C ATOM 619 C GLU A 39 -0.159 -8.899 14.375 1.00 0.00 C ATOM 620 O GLU A 39 -1.123 -8.621 15.101 1.00 0.00 O ATOM 621 CB GLU A 39 2.072 -7.878 15.078 1.00 0.00 C ATOM 622 CG GLU A 39 3.404 -7.331 14.527 1.00 0.00 C ATOM 623 CD GLU A 39 3.539 -5.799 14.502 1.00 0.00 C ATOM 624 OE1 GLU A 39 2.826 -5.109 13.740 1.00 0.00 O ATOM 625 OE2 GLU A 39 4.453 -5.250 15.160 1.00 0.00 O ATOM 0 H GLU A 39 0.558 -5.926 14.736 1.00 0.00 H new ATOM 0 HA GLU A 39 1.380 -8.132 13.103 1.00 0.00 H new ATOM 0 HB2 GLU A 39 1.779 -7.286 15.945 1.00 0.00 H new ATOM 0 HB3 GLU A 39 2.226 -8.899 15.426 1.00 0.00 H new ATOM 0 HG2 GLU A 39 4.218 -7.739 15.126 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.537 -7.705 13.512 1.00 0.00 H new ATOM 632 N GLY A 40 -0.011 -10.083 13.778 1.00 0.00 N ATOM 633 CA GLY A 40 -0.915 -11.213 13.943 1.00 0.00 C ATOM 634 C GLY A 40 -2.343 -10.914 13.495 1.00 0.00 C ATOM 635 O GLY A 40 -3.267 -11.611 13.915 1.00 0.00 O ATOM 0 H GLY A 40 0.766 -10.284 13.148 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.533 -12.061 13.374 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.925 -11.511 14.991 1.00 0.00 H new ATOM 639 N TYR A 41 -2.576 -9.819 12.770 1.00 0.00 N ATOM 640 CA TYR A 41 -3.854 -9.505 12.165 1.00 0.00 C ATOM 641 C TYR A 41 -3.827 -10.182 10.797 1.00 0.00 C ATOM 642 O TYR A 41 -3.058 -9.804 9.906 1.00 0.00 O ATOM 643 CB TYR A 41 -4.050 -7.985 12.103 1.00 0.00 C ATOM 644 CG TYR A 41 -5.286 -7.444 12.811 1.00 0.00 C ATOM 645 CD1 TYR A 41 -6.568 -7.442 12.219 1.00 0.00 C ATOM 646 CD2 TYR A 41 -5.120 -6.857 14.075 1.00 0.00 C ATOM 647 CE1 TYR A 41 -7.650 -6.816 12.857 1.00 0.00 C ATOM 648 CE2 TYR A 41 -6.186 -6.189 14.699 1.00 0.00 C ATOM 649 CZ TYR A 41 -7.458 -6.157 14.089 1.00 0.00 C ATOM 650 OH TYR A 41 -8.498 -5.481 14.652 1.00 0.00 O ATOM 0 H TYR A 41 -1.860 -9.116 12.588 1.00 0.00 H new ATOM 0 HA TYR A 41 -4.707 -9.870 12.738 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -3.170 -7.507 12.533 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -4.095 -7.686 11.056 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -6.717 -7.927 11.266 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -4.163 -6.920 14.572 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -8.630 -6.839 12.404 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -6.032 -5.698 15.649 1.00 0.00 H new ATOM 0 HH TYR A 41 -8.208 -5.082 15.499 1.00 0.00 H new ATOM 660 N GLU A 42 -4.630 -11.230 10.657 1.00 0.00 N ATOM 661 CA GLU A 42 -4.811 -11.984 9.429 1.00 0.00 C ATOM 662 C GLU A 42 -6.111 -11.493 8.773 1.00 0.00 C ATOM 663 O GLU A 42 -7.206 -11.766 9.275 1.00 0.00 O ATOM 664 CB GLU A 42 -4.837 -13.487 9.767 1.00 0.00 C ATOM 665 CG GLU A 42 -3.478 -14.189 9.616 1.00 0.00 C ATOM 666 CD GLU A 42 -2.305 -13.612 10.427 1.00 0.00 C ATOM 667 OE1 GLU A 42 -2.212 -13.833 11.655 1.00 0.00 O ATOM 668 OE2 GLU A 42 -1.371 -13.059 9.792 1.00 0.00 O ATOM 0 H GLU A 42 -5.193 -11.589 11.428 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.994 -11.833 8.723 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.186 -13.612 10.792 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.563 -13.981 9.121 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.603 -15.235 9.897 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.203 -14.173 8.562 1.00 0.00 H new ATOM 675 N ILE A 43 -6.006 -10.674 7.723 1.00 0.00 N ATOM 676 CA ILE A 43 -7.110 -10.092 6.976 1.00 0.00 C ATOM 677 C ILE A 43 -7.166 -10.882 5.672 1.00 0.00 C ATOM 678 O ILE A 43 -6.218 -10.849 4.887 1.00 0.00 O ATOM 679 CB ILE A 43 -6.867 -8.581 6.740 1.00 0.00 C ATOM 680 CG1 ILE A 43 -6.763 -7.731 8.021 1.00 0.00 C ATOM 681 CG2 ILE A 43 -8.005 -7.959 5.908 1.00 0.00 C ATOM 682 CD1 ILE A 43 -5.674 -8.102 9.003 1.00 0.00 C ATOM 0 H ILE A 43 -5.098 -10.388 7.357 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.059 -10.154 7.509 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.907 -8.557 6.225 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.615 -6.692 7.727 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -7.720 -7.782 8.541 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -7.808 -6.898 5.758 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.063 -8.458 4.940 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -8.951 -8.081 6.436 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -5.710 -7.427 9.858 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.824 -9.127 9.343 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.702 -8.019 8.517 1.00 0.00 H new ATOM 694 N LYS A 44 -8.256 -11.615 5.435 1.00 0.00 N ATOM 695 CA LYS A 44 -8.383 -12.558 4.327 1.00 0.00 C ATOM 696 C LYS A 44 -9.672 -12.355 3.520 1.00 0.00 C ATOM 697 O LYS A 44 -9.924 -13.123 2.591 1.00 0.00 O ATOM 698 CB LYS A 44 -8.276 -13.990 4.880 1.00 0.00 C ATOM 699 CG LYS A 44 -6.891 -14.364 5.455 1.00 0.00 C ATOM 700 CD LYS A 44 -5.800 -14.525 4.381 1.00 0.00 C ATOM 701 CE LYS A 44 -6.021 -15.810 3.567 1.00 0.00 C ATOM 702 NZ LYS A 44 -5.138 -15.891 2.384 1.00 0.00 N ATOM 0 H LYS A 44 -9.090 -11.567 6.020 1.00 0.00 H new ATOM 0 HA LYS A 44 -7.571 -12.377 3.623 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.025 -14.119 5.662 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -8.524 -14.691 4.083 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -6.581 -13.595 6.163 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.979 -15.296 6.014 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.808 -13.662 3.716 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.819 -14.553 4.854 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.847 -16.675 4.206 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.061 -15.857 3.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.327 -16.775 1.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.321 -15.081 1.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.144 -15.874 2.691 1.00 0.00 H new ATOM 716 N ASN A 45 -10.482 -11.342 3.833 1.00 0.00 N ATOM 717 CA ASN A 45 -11.619 -10.906 3.023 1.00 0.00 C ATOM 718 C ASN A 45 -11.147 -10.112 1.782 1.00 0.00 C ATOM 719 O ASN A 45 -9.966 -10.150 1.430 1.00 0.00 O ATOM 720 CB ASN A 45 -12.624 -10.162 3.914 1.00 0.00 C ATOM 721 CG ASN A 45 -13.923 -9.940 3.159 1.00 0.00 C ATOM 722 OD1 ASN A 45 -14.536 -10.871 2.640 1.00 0.00 O ATOM 723 ND2 ASN A 45 -14.232 -8.694 2.894 1.00 0.00 N ATOM 0 H ASN A 45 -10.361 -10.788 4.681 1.00 0.00 H new ATOM 0 HA ASN A 45 -12.146 -11.768 2.614 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -12.814 -10.737 4.820 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -12.207 -9.204 4.226 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -14.992 -8.484 2.248 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -13.712 -7.935 3.334 1.00 0.00 H new ATOM 730 N ARG A 46 -12.062 -9.466 1.045 1.00 0.00 N ATOM 731 CA ARG A 46 -11.833 -8.862 -0.270 1.00 0.00 C ATOM 732 C ARG A 46 -11.568 -7.367 -0.152 1.00 0.00 C ATOM 733 O ARG A 46 -10.628 -6.866 -0.768 1.00 0.00 O ATOM 734 CB ARG A 46 -12.973 -9.080 -1.283 1.00 0.00 C ATOM 735 CG ARG A 46 -13.808 -10.317 -1.020 1.00 0.00 C ATOM 736 CD ARG A 46 -15.048 -10.277 -1.919 1.00 0.00 C ATOM 737 NE ARG A 46 -15.673 -11.600 -2.037 1.00 0.00 N ATOM 738 CZ ARG A 46 -16.651 -12.099 -1.272 1.00 0.00 C ATOM 739 NH1 ARG A 46 -17.377 -11.329 -0.466 1.00 0.00 N ATOM 740 NH2 ARG A 46 -16.890 -13.401 -1.319 1.00 0.00 N ATOM 0 H ARG A 46 -13.023 -9.347 1.366 1.00 0.00 H new ATOM 0 HA ARG A 46 -10.956 -9.382 -0.656 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -13.625 -8.206 -1.273 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -12.547 -9.149 -2.284 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -13.225 -11.216 -1.221 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -14.103 -10.357 0.028 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -15.770 -9.568 -1.513 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -14.769 -9.916 -2.909 1.00 0.00 H new ATOM 0 HE ARG A 46 -15.325 -12.204 -2.782 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -17.195 -10.326 -0.418 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -18.115 -11.741 0.104 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -16.334 -14.000 -1.929 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -17.630 -13.805 -0.745 1.00 0.00 H new ATOM 754 N GLU A 47 -12.418 -6.659 0.605 1.00 0.00 N ATOM 755 CA GLU A 47 -12.535 -5.199 0.559 1.00 0.00 C ATOM 756 C GLU A 47 -11.182 -4.513 0.752 1.00 0.00 C ATOM 757 O GLU A 47 -10.855 -3.600 -0.002 1.00 0.00 O ATOM 758 CB GLU A 47 -13.557 -4.670 1.575 1.00 0.00 C ATOM 759 CG GLU A 47 -15.012 -4.939 1.167 1.00 0.00 C ATOM 760 CD GLU A 47 -15.509 -6.327 1.580 1.00 0.00 C ATOM 761 OE1 GLU A 47 -15.320 -7.276 0.778 1.00 0.00 O ATOM 762 OE2 GLU A 47 -16.001 -6.505 2.719 1.00 0.00 O ATOM 0 H GLU A 47 -13.052 -7.093 1.276 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.899 -4.952 -0.438 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.367 -5.131 2.544 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.414 -3.597 1.699 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -15.654 -4.182 1.617 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -15.104 -4.834 0.086 1.00 0.00 H new ATOM 769 N THR A 48 -10.372 -4.979 1.704 1.00 0.00 N ATOM 770 CA THR A 48 -9.052 -4.430 1.980 1.00 0.00 C ATOM 771 C THR A 48 -8.134 -4.486 0.752 1.00 0.00 C ATOM 772 O THR A 48 -7.491 -3.486 0.434 1.00 0.00 O ATOM 773 CB THR A 48 -8.470 -5.154 3.207 1.00 0.00 C ATOM 774 OG1 THR A 48 -9.397 -5.055 4.278 1.00 0.00 O ATOM 775 CG2 THR A 48 -7.141 -4.544 3.647 1.00 0.00 C ATOM 0 H THR A 48 -10.622 -5.760 2.311 1.00 0.00 H new ATOM 0 HA THR A 48 -9.136 -3.368 2.211 1.00 0.00 H new ATOM 0 HB THR A 48 -8.292 -6.195 2.936 1.00 0.00 H new ATOM 0 HG1 THR A 48 -8.913 -5.057 5.130 1.00 0.00 H new ATOM 0 HG21 THR A 48 -6.763 -5.083 4.516 1.00 0.00 H new ATOM 0 HG22 THR A 48 -6.420 -4.617 2.833 1.00 0.00 H new ATOM 0 HG23 THR A 48 -7.290 -3.496 3.907 1.00 0.00 H new ATOM 783 N GLY A 49 -8.096 -5.606 0.024 1.00 0.00 N ATOM 784 CA GLY A 49 -7.287 -5.698 -1.185 1.00 0.00 C ATOM 785 C GLY A 49 -7.842 -4.815 -2.295 1.00 0.00 C ATOM 786 O GLY A 49 -7.081 -4.314 -3.113 1.00 0.00 O ATOM 0 H GLY A 49 -8.614 -6.454 0.253 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -6.262 -5.403 -0.962 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.254 -6.733 -1.524 1.00 0.00 H new ATOM 790 N CYS A 50 -9.156 -4.596 -2.315 1.00 0.00 N ATOM 791 CA CYS A 50 -9.822 -3.676 -3.228 1.00 0.00 C ATOM 792 C CYS A 50 -9.345 -2.252 -2.944 1.00 0.00 C ATOM 793 O CYS A 50 -8.937 -1.541 -3.856 1.00 0.00 O ATOM 794 CB CYS A 50 -11.340 -3.808 -3.045 1.00 0.00 C ATOM 795 SG CYS A 50 -12.406 -4.221 -4.441 1.00 0.00 S ATOM 0 H CYS A 50 -9.801 -5.067 -1.680 1.00 0.00 H new ATOM 0 HA CYS A 50 -9.578 -3.914 -4.263 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -11.506 -4.567 -2.280 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -11.697 -2.862 -2.638 1.00 0.00 H new ATOM 800 N ALA A 51 -9.354 -1.838 -1.672 1.00 0.00 N ATOM 801 CA ALA A 51 -8.850 -0.538 -1.259 1.00 0.00 C ATOM 802 C ALA A 51 -7.381 -0.385 -1.649 1.00 0.00 C ATOM 803 O ALA A 51 -7.047 0.644 -2.221 1.00 0.00 O ATOM 804 CB ALA A 51 -9.086 -0.320 0.242 1.00 0.00 C ATOM 0 H ALA A 51 -9.714 -2.403 -0.903 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.402 0.242 -1.784 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -8.702 0.658 0.532 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -10.154 -0.368 0.453 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -8.569 -1.095 0.808 1.00 0.00 H new ATOM 810 N ILE A 52 -6.511 -1.368 -1.386 1.00 0.00 N ATOM 811 CA ILE A 52 -5.107 -1.332 -1.805 1.00 0.00 C ATOM 812 C ILE A 52 -5.033 -1.146 -3.331 1.00 0.00 C ATOM 813 O ILE A 52 -4.392 -0.218 -3.805 1.00 0.00 O ATOM 814 CB ILE A 52 -4.369 -2.585 -1.271 1.00 0.00 C ATOM 815 CG1 ILE A 52 -4.315 -2.500 0.272 1.00 0.00 C ATOM 816 CG2 ILE A 52 -2.937 -2.688 -1.830 1.00 0.00 C ATOM 817 CD1 ILE A 52 -3.901 -3.773 1.006 1.00 0.00 C ATOM 0 H ILE A 52 -6.764 -2.214 -0.874 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.587 -0.477 -1.372 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.913 -3.473 -1.594 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.621 -1.706 0.547 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.299 -2.202 0.633 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.454 -3.580 -1.431 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.975 -2.751 -2.918 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.368 -1.806 -1.537 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.900 -3.590 2.080 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.606 -4.572 0.775 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.901 -4.068 0.687 1.00 0.00 H new ATOM 829 N MET A 53 -5.727 -1.983 -4.097 1.00 0.00 N ATOM 830 CA MET A 53 -5.751 -1.953 -5.555 1.00 0.00 C ATOM 831 C MET A 53 -6.210 -0.596 -6.107 1.00 0.00 C ATOM 832 O MET A 53 -5.590 -0.062 -7.017 1.00 0.00 O ATOM 833 CB MET A 53 -6.646 -3.111 -6.000 1.00 0.00 C ATOM 834 CG MET A 53 -6.865 -3.224 -7.504 1.00 0.00 C ATOM 835 SD MET A 53 -8.466 -2.572 -8.068 1.00 0.00 S ATOM 836 CE MET A 53 -9.632 -3.572 -7.099 1.00 0.00 C ATOM 0 H MET A 53 -6.307 -2.725 -3.706 1.00 0.00 H new ATOM 0 HA MET A 53 -4.746 -2.076 -5.959 1.00 0.00 H new ATOM 0 HB2 MET A 53 -6.210 -4.044 -5.642 1.00 0.00 H new ATOM 0 HB3 MET A 53 -7.616 -3.006 -5.515 1.00 0.00 H new ATOM 0 HG2 MET A 53 -6.065 -2.691 -8.018 1.00 0.00 H new ATOM 0 HG3 MET A 53 -6.788 -4.272 -7.795 1.00 0.00 H new ATOM 0 HE1 MET A 53 -10.483 -3.846 -7.723 1.00 0.00 H new ATOM 0 HE2 MET A 53 -9.133 -4.476 -6.749 1.00 0.00 H new ATOM 0 HE3 MET A 53 -9.981 -2.996 -6.242 1.00 0.00 H new ATOM 846 N CYS A 54 -7.268 0.007 -5.561 1.00 0.00 N ATOM 847 CA CYS A 54 -7.689 1.348 -5.961 1.00 0.00 C ATOM 848 C CYS A 54 -6.657 2.400 -5.538 1.00 0.00 C ATOM 849 O CYS A 54 -6.391 3.366 -6.258 1.00 0.00 O ATOM 850 CB CYS A 54 -9.063 1.642 -5.352 1.00 0.00 C ATOM 851 SG CYS A 54 -9.556 3.382 -5.381 1.00 0.00 S ATOM 0 H CYS A 54 -7.850 -0.416 -4.838 1.00 0.00 H new ATOM 0 HA CYS A 54 -7.762 1.393 -7.048 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -9.813 1.059 -5.886 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -9.067 1.296 -4.318 1.00 0.00 H new ATOM 856 N LEU A 55 -6.083 2.250 -4.344 1.00 0.00 N ATOM 857 CA LEU A 55 -5.116 3.205 -3.822 1.00 0.00 C ATOM 858 C LEU A 55 -3.839 3.262 -4.646 1.00 0.00 C ATOM 859 O LEU A 55 -3.143 4.276 -4.575 1.00 0.00 O ATOM 860 CB LEU A 55 -4.764 2.882 -2.368 1.00 0.00 C ATOM 861 CG LEU A 55 -5.803 3.389 -1.365 1.00 0.00 C ATOM 862 CD1 LEU A 55 -5.508 2.756 -0.007 1.00 0.00 C ATOM 863 CD2 LEU A 55 -5.790 4.913 -1.278 1.00 0.00 C ATOM 0 H LEU A 55 -6.276 1.468 -3.718 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.594 4.183 -3.881 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.660 1.803 -2.258 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.795 3.321 -2.130 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.802 3.103 -1.695 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.238 3.105 0.723 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.568 1.671 -0.091 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.507 3.040 0.317 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.539 5.243 -0.558 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.804 5.251 -0.957 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.018 5.335 -2.257 1.00 0.00 H new ATOM 875 N SER A 56 -3.545 2.236 -5.445 1.00 0.00 N ATOM 876 CA SER A 56 -2.359 2.203 -6.283 1.00 0.00 C ATOM 877 C SER A 56 -2.407 3.307 -7.367 1.00 0.00 C ATOM 878 O SER A 56 -1.394 3.671 -7.961 1.00 0.00 O ATOM 879 CB SER A 56 -2.182 0.757 -6.788 1.00 0.00 C ATOM 880 OG SER A 56 -2.919 0.459 -7.941 1.00 0.00 O ATOM 0 H SER A 56 -4.129 1.404 -5.525 1.00 0.00 H new ATOM 0 HA SER A 56 -1.455 2.452 -5.727 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.125 0.581 -6.990 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.474 0.068 -5.995 1.00 0.00 H new ATOM 0 HG SER A 56 -3.848 0.268 -7.695 1.00 0.00 H new ATOM 886 N THR A 57 -3.569 3.952 -7.544 1.00 0.00 N ATOM 887 CA THR A 57 -3.778 5.082 -8.442 1.00 0.00 C ATOM 888 C THR A 57 -4.427 6.239 -7.658 1.00 0.00 C ATOM 889 O THR A 57 -5.289 6.977 -8.147 1.00 0.00 O ATOM 890 CB THR A 57 -4.503 4.568 -9.697 1.00 0.00 C ATOM 891 OG1 THR A 57 -4.549 5.544 -10.723 1.00 0.00 O ATOM 892 CG2 THR A 57 -5.912 4.040 -9.409 1.00 0.00 C ATOM 0 H THR A 57 -4.417 3.686 -7.044 1.00 0.00 H new ATOM 0 HA THR A 57 -2.856 5.523 -8.821 1.00 0.00 H new ATOM 0 HB THR A 57 -3.906 3.725 -10.045 1.00 0.00 H new ATOM 0 HG1 THR A 57 -4.804 6.409 -10.340 1.00 0.00 H new ATOM 0 HG21 THR A 57 -6.367 3.693 -10.337 1.00 0.00 H new ATOM 0 HG22 THR A 57 -5.853 3.212 -8.702 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.520 4.838 -8.983 1.00 0.00 H new ATOM 900 N LYS A 58 -4.033 6.380 -6.393 1.00 0.00 N ATOM 901 CA LYS A 58 -4.346 7.510 -5.521 1.00 0.00 C ATOM 902 C LYS A 58 -3.077 8.089 -4.912 1.00 0.00 C ATOM 903 O LYS A 58 -3.176 8.833 -3.940 1.00 0.00 O ATOM 904 CB LYS A 58 -5.318 7.063 -4.419 1.00 0.00 C ATOM 905 CG LYS A 58 -6.711 6.728 -4.956 1.00 0.00 C ATOM 906 CD LYS A 58 -7.564 7.963 -5.121 1.00 0.00 C ATOM 907 CE LYS A 58 -8.816 7.533 -5.878 1.00 0.00 C ATOM 908 NZ LYS A 58 -8.583 7.420 -7.336 1.00 0.00 N ATOM 0 H LYS A 58 -3.460 5.676 -5.927 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.820 8.291 -6.116 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.909 6.189 -3.913 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.402 7.853 -3.673 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.617 6.221 -5.916 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -7.205 6.034 -4.276 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.825 8.386 -4.151 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.025 8.735 -5.671 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.159 6.573 -5.492 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -9.613 8.253 -5.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.222 6.703 -7.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.766 8.338 -7.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.597 7.139 -7.509 1.00 0.00 H new ATOM 922 N LEU A 59 -1.892 7.775 -5.432 1.00 0.00 N ATOM 923 CA LEU A 59 -0.610 8.240 -4.901 1.00 0.00 C ATOM 924 C LEU A 59 -0.615 9.771 -4.790 1.00 0.00 C ATOM 925 O LEU A 59 -0.136 10.307 -3.794 1.00 0.00 O ATOM 926 CB LEU A 59 0.571 7.726 -5.756 1.00 0.00 C ATOM 927 CG LEU A 59 0.471 6.266 -6.261 1.00 0.00 C ATOM 928 CD1 LEU A 59 1.678 5.903 -7.131 1.00 0.00 C ATOM 929 CD2 LEU A 59 0.318 5.218 -5.150 1.00 0.00 C ATOM 0 H LEU A 59 -1.793 7.177 -6.252 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.473 7.828 -3.901 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.677 8.380 -6.621 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.485 7.823 -5.170 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.447 6.238 -6.848 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.583 4.872 -7.473 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.719 6.569 -7.993 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.592 6.009 -6.547 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.255 4.224 -5.593 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.180 5.265 -4.484 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.590 5.420 -4.582 1.00 0.00 H new ATOM 941 N ASN A 60 -1.289 10.456 -5.726 1.00 0.00 N ATOM 942 CA ASN A 60 -1.485 11.909 -5.752 1.00 0.00 C ATOM 943 C ASN A 60 -2.217 12.456 -4.527 1.00 0.00 C ATOM 944 O ASN A 60 -2.095 13.635 -4.214 1.00 0.00 O ATOM 945 CB ASN A 60 -2.295 12.299 -7.004 1.00 0.00 C ATOM 946 CG ASN A 60 -3.731 11.782 -6.976 1.00 0.00 C ATOM 947 OD1 ASN A 60 -3.987 10.680 -7.447 1.00 0.00 O ATOM 948 ND2 ASN A 60 -4.694 12.526 -6.459 1.00 0.00 N ATOM 0 H ASN A 60 -1.730 9.990 -6.519 1.00 0.00 H new ATOM 0 HA ASN A 60 -0.486 12.345 -5.760 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.308 13.385 -7.096 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.793 11.910 -7.890 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.655 12.183 -6.451 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.476 13.443 -6.068 1.00 0.00 H new ATOM 955 N MET A 61 -3.029 11.638 -3.862 1.00 0.00 N ATOM 956 CA MET A 61 -3.746 12.042 -2.666 1.00 0.00 C ATOM 957 C MET A 61 -2.818 11.932 -1.464 1.00 0.00 C ATOM 958 O MET A 61 -2.856 12.768 -0.558 1.00 0.00 O ATOM 959 CB MET A 61 -4.957 11.126 -2.433 1.00 0.00 C ATOM 960 CG MET A 61 -5.984 11.190 -3.561 1.00 0.00 C ATOM 961 SD MET A 61 -6.889 12.759 -3.669 1.00 0.00 S ATOM 962 CE MET A 61 -7.902 12.649 -2.176 1.00 0.00 C ATOM 0 H MET A 61 -3.206 10.673 -4.143 1.00 0.00 H new ATOM 0 HA MET A 61 -4.088 13.069 -2.793 1.00 0.00 H new ATOM 0 HB2 MET A 61 -4.611 10.098 -2.323 1.00 0.00 H new ATOM 0 HB3 MET A 61 -5.439 11.403 -1.495 1.00 0.00 H new ATOM 0 HG2 MET A 61 -5.475 11.013 -4.509 1.00 0.00 H new ATOM 0 HG3 MET A 61 -6.701 10.380 -3.428 1.00 0.00 H new ATOM 0 HE1 MET A 61 -8.711 13.377 -2.231 1.00 0.00 H new ATOM 0 HE2 MET A 61 -8.321 11.646 -2.094 1.00 0.00 H new ATOM 0 HE3 MET A 61 -7.285 12.857 -1.302 1.00 0.00 H new ATOM 972 N LEU A 62 -2.063 10.831 -1.439 1.00 0.00 N ATOM 973 CA LEU A 62 -1.304 10.314 -0.321 1.00 0.00 C ATOM 974 C LEU A 62 -0.051 11.122 -0.103 1.00 0.00 C ATOM 975 O LEU A 62 0.235 11.489 1.037 1.00 0.00 O ATOM 976 CB LEU A 62 -0.944 8.847 -0.610 1.00 0.00 C ATOM 977 CG LEU A 62 -2.158 7.964 -0.891 1.00 0.00 C ATOM 978 CD1 LEU A 62 -1.775 6.594 -1.425 1.00 0.00 C ATOM 979 CD2 LEU A 62 -2.986 7.809 0.369 1.00 0.00 C ATOM 0 H LEU A 62 -1.966 10.241 -2.266 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.905 10.381 0.586 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.271 8.809 -1.467 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.399 8.441 0.242 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.742 8.461 -1.666 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.677 6.009 -1.607 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.223 6.708 -2.358 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.151 6.080 -0.694 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.850 7.178 0.161 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.379 7.348 1.149 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.325 8.789 0.705 1.00 0.00 H new ATOM 991 N ASP A 63 0.673 11.374 -1.189 1.00 0.00 N ATOM 992 CA ASP A 63 1.875 12.195 -1.231 1.00 0.00 C ATOM 993 C ASP A 63 1.503 13.507 -1.924 1.00 0.00 C ATOM 994 O ASP A 63 1.275 13.502 -3.135 1.00 0.00 O ATOM 995 CB ASP A 63 3.015 11.460 -1.941 1.00 0.00 C ATOM 996 CG ASP A 63 4.319 12.257 -1.891 1.00 0.00 C ATOM 997 OD1 ASP A 63 4.310 13.486 -2.114 1.00 0.00 O ATOM 998 OD2 ASP A 63 5.365 11.612 -1.675 1.00 0.00 O ATOM 0 H ASP A 63 0.426 10.994 -2.103 1.00 0.00 H new ATOM 0 HA ASP A 63 2.242 12.406 -0.226 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.166 10.486 -1.476 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.739 11.278 -2.980 1.00 0.00 H new ATOM 1003 N PRO A 64 1.340 14.617 -1.182 1.00 0.00 N ATOM 1004 CA PRO A 64 0.842 15.860 -1.749 1.00 0.00 C ATOM 1005 C PRO A 64 1.874 16.565 -2.619 1.00 0.00 C ATOM 1006 O PRO A 64 1.491 17.274 -3.556 1.00 0.00 O ATOM 1007 CB PRO A 64 0.493 16.745 -0.554 1.00 0.00 C ATOM 1008 CG PRO A 64 1.418 16.246 0.545 1.00 0.00 C ATOM 1009 CD PRO A 64 1.541 14.755 0.252 1.00 0.00 C ATOM 0 HA PRO A 64 -0.011 15.658 -2.397 1.00 0.00 H new ATOM 0 HB2 PRO A 64 0.663 17.799 -0.773 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -0.555 16.643 -0.273 1.00 0.00 H new ATOM 0 HG2 PRO A 64 2.387 16.744 0.511 1.00 0.00 H new ATOM 0 HG3 PRO A 64 1.000 16.428 1.535 1.00 0.00 H new ATOM 0 HD2 PRO A 64 2.520 14.377 0.548 1.00 0.00 H new ATOM 0 HD3 PRO A 64 0.797 14.184 0.808 1.00 0.00 H new ATOM 1017 N GLU A 65 3.161 16.446 -2.294 1.00 0.00 N ATOM 1018 CA GLU A 65 4.226 16.981 -3.138 1.00 0.00 C ATOM 1019 C GLU A 65 4.281 16.185 -4.447 1.00 0.00 C ATOM 1020 O GLU A 65 4.695 16.713 -5.480 1.00 0.00 O ATOM 1021 CB GLU A 65 5.581 17.019 -2.415 1.00 0.00 C ATOM 1022 CG GLU A 65 5.431 17.857 -1.137 1.00 0.00 C ATOM 1023 CD GLU A 65 6.758 18.388 -0.590 1.00 0.00 C ATOM 1024 OE1 GLU A 65 7.630 17.608 -0.147 1.00 0.00 O ATOM 1025 OE2 GLU A 65 6.936 19.630 -0.636 1.00 0.00 O ATOM 0 H GLU A 65 3.491 15.981 -1.448 1.00 0.00 H new ATOM 0 HA GLU A 65 3.998 18.021 -3.373 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.907 16.008 -2.169 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.344 17.451 -3.063 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.769 18.699 -1.341 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.949 17.251 -0.370 1.00 0.00 H new ATOM 1032 N GLY A 66 3.783 14.947 -4.417 1.00 0.00 N ATOM 1033 CA GLY A 66 3.707 14.021 -5.518 1.00 0.00 C ATOM 1034 C GLY A 66 4.976 13.190 -5.670 1.00 0.00 C ATOM 1035 O GLY A 66 5.183 12.670 -6.763 1.00 0.00 O ATOM 0 H GLY A 66 3.400 14.551 -3.559 1.00 0.00 H new ATOM 0 HA2 GLY A 66 2.856 13.356 -5.371 1.00 0.00 H new ATOM 0 HA3 GLY A 66 3.525 14.572 -6.440 1.00 0.00 H new ATOM 1039 N ASN A 67 5.823 13.090 -4.632 1.00 0.00 N ATOM 1040 CA ASN A 67 7.129 12.417 -4.687 1.00 0.00 C ATOM 1041 C ASN A 67 7.009 10.908 -4.876 1.00 0.00 C ATOM 1042 O ASN A 67 7.904 10.291 -5.456 1.00 0.00 O ATOM 1043 CB ASN A 67 7.957 12.687 -3.411 1.00 0.00 C ATOM 1044 CG ASN A 67 8.935 13.839 -3.588 1.00 0.00 C ATOM 1045 OD1 ASN A 67 10.120 13.717 -3.296 1.00 0.00 O ATOM 1046 ND2 ASN A 67 8.456 14.993 -4.018 1.00 0.00 N ATOM 0 H ASN A 67 5.614 13.483 -3.714 1.00 0.00 H new ATOM 0 HA ASN A 67 7.636 12.836 -5.556 1.00 0.00 H new ATOM 0 HB2 ASN A 67 7.283 12.910 -2.584 1.00 0.00 H new ATOM 0 HB3 ASN A 67 8.507 11.786 -3.140 1.00 0.00 H new ATOM 0 HD21 ASN A 67 9.074 15.799 -4.111 1.00 0.00 H new ATOM 0 HD22 ASN A 67 7.468 15.078 -4.257 1.00 0.00 H new ATOM 1053 N LEU A 68 5.947 10.284 -4.361 1.00 0.00 N ATOM 1054 CA LEU A 68 5.657 8.899 -4.693 1.00 0.00 C ATOM 1055 C LEU A 68 5.128 8.843 -6.121 1.00 0.00 C ATOM 1056 O LEU A 68 4.033 9.335 -6.395 1.00 0.00 O ATOM 1057 CB LEU A 68 4.651 8.264 -3.728 1.00 0.00 C ATOM 1058 CG LEU A 68 4.410 6.784 -4.103 1.00 0.00 C ATOM 1059 CD1 LEU A 68 5.663 5.916 -4.017 1.00 0.00 C ATOM 1060 CD2 LEU A 68 3.379 6.169 -3.180 1.00 0.00 C ATOM 0 H LEU A 68 5.283 10.716 -3.719 1.00 0.00 H new ATOM 0 HA LEU A 68 6.579 8.324 -4.603 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.024 8.331 -2.706 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.710 8.812 -3.760 1.00 0.00 H new ATOM 0 HG LEU A 68 4.073 6.804 -5.139 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.416 4.891 -4.294 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.421 6.303 -4.698 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.048 5.933 -2.997 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.219 5.127 -3.456 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.734 6.222 -2.151 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.440 6.715 -3.268 1.00 0.00 H new ATOM 1072 N HIS A 69 5.877 8.186 -7.001 1.00 0.00 N ATOM 1073 CA HIS A 69 5.447 7.872 -8.350 1.00 0.00 C ATOM 1074 C HIS A 69 5.294 6.365 -8.490 1.00 0.00 C ATOM 1075 O HIS A 69 5.897 5.583 -7.752 1.00 0.00 O ATOM 1076 CB HIS A 69 6.475 8.386 -9.349 1.00 0.00 C ATOM 1077 CG HIS A 69 6.712 9.868 -9.242 1.00 0.00 C ATOM 1078 ND1 HIS A 69 5.843 10.845 -9.661 1.00 0.00 N ATOM 1079 CD2 HIS A 69 7.795 10.479 -8.673 1.00 0.00 C ATOM 1080 CE1 HIS A 69 6.405 12.030 -9.360 1.00 0.00 C ATOM 1081 NE2 HIS A 69 7.601 11.862 -8.774 1.00 0.00 N ATOM 0 H HIS A 69 6.817 7.853 -6.788 1.00 0.00 H new ATOM 0 HA HIS A 69 4.489 8.352 -8.550 1.00 0.00 H new ATOM 0 HB2 HIS A 69 7.418 7.861 -9.194 1.00 0.00 H new ATOM 0 HB3 HIS A 69 6.141 8.149 -10.359 1.00 0.00 H new ATOM 0 HD2 HIS A 69 8.645 9.985 -8.227 1.00 0.00 H new ATOM 0 HE1 HIS A 69 5.953 12.990 -9.563 1.00 0.00 H new ATOM 0 HE2 HIS A 69 8.240 12.594 -8.465 1.00 0.00 H new ATOM 1089 N HIS A 70 4.506 5.986 -9.485 1.00 0.00 N ATOM 1090 CA HIS A 70 4.148 4.618 -9.820 1.00 0.00 C ATOM 1091 C HIS A 70 5.376 3.968 -10.464 1.00 0.00 C ATOM 1092 O HIS A 70 5.920 4.493 -11.438 1.00 0.00 O ATOM 1093 CB HIS A 70 2.870 4.690 -10.680 1.00 0.00 C ATOM 1094 CG HIS A 70 2.387 3.519 -11.505 1.00 0.00 C ATOM 1095 ND1 HIS A 70 2.985 2.303 -11.764 1.00 0.00 N ATOM 1096 CD2 HIS A 70 1.242 3.572 -12.249 1.00 0.00 C ATOM 1097 CE1 HIS A 70 2.210 1.649 -12.650 1.00 0.00 C ATOM 1098 NE2 HIS A 70 1.144 2.397 -12.999 1.00 0.00 N ATOM 0 H HIS A 70 4.076 6.663 -10.115 1.00 0.00 H new ATOM 0 HA HIS A 70 3.899 3.979 -8.973 1.00 0.00 H new ATOM 0 HB2 HIS A 70 2.055 4.957 -10.008 1.00 0.00 H new ATOM 0 HB3 HIS A 70 3.002 5.525 -11.368 1.00 0.00 H new ATOM 0 HD2 HIS A 70 0.532 4.386 -12.256 1.00 0.00 H new ATOM 0 HE1 HIS A 70 2.415 0.659 -13.030 1.00 0.00 H new ATOM 0 HE2 HIS A 70 0.416 2.155 -13.672 1.00 0.00 H new ATOM 1106 N GLY A 71 5.849 2.859 -9.901 1.00 0.00 N ATOM 1107 CA GLY A 71 7.020 2.124 -10.345 1.00 0.00 C ATOM 1108 C GLY A 71 8.295 2.962 -10.305 1.00 0.00 C ATOM 1109 O GLY A 71 9.207 2.718 -11.091 1.00 0.00 O ATOM 0 H GLY A 71 5.404 2.433 -9.088 1.00 0.00 H new ATOM 0 HA2 GLY A 71 7.150 1.243 -9.717 1.00 0.00 H new ATOM 0 HA3 GLY A 71 6.856 1.769 -11.362 1.00 0.00 H new ATOM 1113 N ASN A 72 8.362 3.996 -9.463 1.00 0.00 N ATOM 1114 CA ASN A 72 9.550 4.837 -9.323 1.00 0.00 C ATOM 1115 C ASN A 72 9.620 5.402 -7.904 1.00 0.00 C ATOM 1116 O ASN A 72 10.004 6.549 -7.670 1.00 0.00 O ATOM 1117 CB ASN A 72 9.547 5.938 -10.393 1.00 0.00 C ATOM 1118 CG ASN A 72 10.931 6.528 -10.647 1.00 0.00 C ATOM 1119 OD1 ASN A 72 11.971 5.993 -10.262 1.00 0.00 O ATOM 1120 ND2 ASN A 72 10.967 7.642 -11.353 1.00 0.00 N ATOM 0 H ASN A 72 7.590 4.273 -8.857 1.00 0.00 H new ATOM 0 HA ASN A 72 10.448 4.239 -9.481 1.00 0.00 H new ATOM 0 HB2 ASN A 72 9.156 5.530 -11.325 1.00 0.00 H new ATOM 0 HB3 ASN A 72 8.870 6.734 -10.085 1.00 0.00 H new ATOM 0 HD21 ASN A 72 11.863 8.070 -11.586 1.00 0.00 H new ATOM 0 HD22 ASN A 72 10.098 8.076 -11.666 1.00 0.00 H new ATOM 1127 N ALA A 73 9.201 4.597 -6.929 1.00 0.00 N ATOM 1128 CA ALA A 73 8.983 4.995 -5.544 1.00 0.00 C ATOM 1129 C ALA A 73 10.282 5.289 -4.796 1.00 0.00 C ATOM 1130 O ALA A 73 10.230 5.614 -3.613 1.00 0.00 O ATOM 1131 CB ALA A 73 8.214 3.892 -4.808 1.00 0.00 C ATOM 0 H ALA A 73 8.997 3.611 -7.091 1.00 0.00 H new ATOM 0 HA ALA A 73 8.407 5.920 -5.567 1.00 0.00 H new ATOM 0 HB1 ALA A 73 8.052 4.191 -3.772 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.252 3.732 -5.295 1.00 0.00 H new ATOM 0 HB3 ALA A 73 8.791 2.968 -4.833 1.00 0.00 H new ATOM 1137 N MET A 74 11.437 5.207 -5.455 1.00 0.00 N ATOM 1138 CA MET A 74 12.737 5.212 -4.816 1.00 0.00 C ATOM 1139 C MET A 74 12.950 6.557 -4.137 1.00 0.00 C ATOM 1140 O MET A 74 13.484 6.612 -3.034 1.00 0.00 O ATOM 1141 CB MET A 74 13.830 4.956 -5.865 1.00 0.00 C ATOM 1142 CG MET A 74 13.878 3.488 -6.305 1.00 0.00 C ATOM 1143 SD MET A 74 15.270 3.080 -7.398 1.00 0.00 S ATOM 1144 CE MET A 74 15.024 1.288 -7.558 1.00 0.00 C ATOM 0 H MET A 74 11.488 5.134 -6.471 1.00 0.00 H new ATOM 0 HA MET A 74 12.788 4.422 -4.066 1.00 0.00 H new ATOM 0 HB2 MET A 74 13.652 5.589 -6.735 1.00 0.00 H new ATOM 0 HB3 MET A 74 14.799 5.243 -5.455 1.00 0.00 H new ATOM 0 HG2 MET A 74 13.931 2.857 -5.418 1.00 0.00 H new ATOM 0 HG3 MET A 74 12.947 3.243 -6.816 1.00 0.00 H new ATOM 0 HE1 MET A 74 15.798 0.871 -8.202 1.00 0.00 H new ATOM 0 HE2 MET A 74 15.081 0.824 -6.574 1.00 0.00 H new ATOM 0 HE3 MET A 74 14.045 1.093 -7.995 1.00 0.00 H new ATOM 1154 N GLU A 75 12.511 7.652 -4.759 1.00 0.00 N ATOM 1155 CA GLU A 75 12.763 8.975 -4.186 1.00 0.00 C ATOM 1156 C GLU A 75 11.895 9.322 -2.982 1.00 0.00 C ATOM 1157 O GLU A 75 12.385 10.026 -2.098 1.00 0.00 O ATOM 1158 CB GLU A 75 12.652 10.070 -5.248 1.00 0.00 C ATOM 1159 CG GLU A 75 14.036 10.410 -5.807 1.00 0.00 C ATOM 1160 CD GLU A 75 14.110 11.888 -6.162 1.00 0.00 C ATOM 1161 OE1 GLU A 75 14.421 12.689 -5.254 1.00 0.00 O ATOM 1162 OE2 GLU A 75 13.853 12.247 -7.338 1.00 0.00 O ATOM 0 H GLU A 75 11.992 7.652 -5.637 1.00 0.00 H new ATOM 0 HA GLU A 75 13.786 8.925 -3.814 1.00 0.00 H new ATOM 0 HB2 GLU A 75 11.998 9.739 -6.055 1.00 0.00 H new ATOM 0 HB3 GLU A 75 12.198 10.961 -4.815 1.00 0.00 H new ATOM 0 HG2 GLU A 75 14.803 10.166 -5.072 1.00 0.00 H new ATOM 0 HG3 GLU A 75 14.238 9.805 -6.691 1.00 0.00 H new ATOM 1169 N PHE A 76 10.656 8.832 -2.926 1.00 0.00 N ATOM 1170 CA PHE A 76 9.876 8.710 -1.708 1.00 0.00 C ATOM 1171 C PHE A 76 10.632 7.813 -0.739 1.00 0.00 C ATOM 1172 O PHE A 76 11.056 8.313 0.291 1.00 0.00 O ATOM 1173 CB PHE A 76 8.483 8.186 -2.092 1.00 0.00 C ATOM 1174 CG PHE A 76 7.651 7.599 -0.973 1.00 0.00 C ATOM 1175 CD1 PHE A 76 7.004 8.452 -0.067 1.00 0.00 C ATOM 1176 CD2 PHE A 76 7.467 6.207 -0.878 1.00 0.00 C ATOM 1177 CE1 PHE A 76 6.162 7.922 0.923 1.00 0.00 C ATOM 1178 CE2 PHE A 76 6.587 5.678 0.084 1.00 0.00 C ATOM 1179 CZ PHE A 76 5.942 6.535 0.992 1.00 0.00 C ATOM 0 H PHE A 76 10.159 8.502 -3.753 1.00 0.00 H new ATOM 0 HA PHE A 76 9.732 9.663 -1.199 1.00 0.00 H new ATOM 0 HB2 PHE A 76 7.922 9.006 -2.541 1.00 0.00 H new ATOM 0 HB3 PHE A 76 8.605 7.424 -2.862 1.00 0.00 H new ATOM 0 HD1 PHE A 76 7.154 9.520 -0.131 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.001 5.545 -1.543 1.00 0.00 H new ATOM 0 HE1 PHE A 76 5.683 8.580 1.632 1.00 0.00 H new ATOM 0 HE2 PHE A 76 6.407 4.614 0.125 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.279 6.129 1.741 1.00 0.00 H new ATOM 1189 N ALA A 77 10.877 6.542 -1.056 1.00 0.00 N ATOM 1190 CA ALA A 77 11.440 5.562 -0.136 1.00 0.00 C ATOM 1191 C ALA A 77 12.749 6.034 0.516 1.00 0.00 C ATOM 1192 O ALA A 77 12.957 5.837 1.718 1.00 0.00 O ATOM 1193 CB ALA A 77 11.623 4.239 -0.875 1.00 0.00 C ATOM 0 H ALA A 77 10.684 6.159 -1.982 1.00 0.00 H new ATOM 0 HA ALA A 77 10.741 5.427 0.689 1.00 0.00 H new ATOM 0 HB1 ALA A 77 12.044 3.498 -0.196 1.00 0.00 H new ATOM 0 HB2 ALA A 77 10.657 3.889 -1.240 1.00 0.00 H new ATOM 0 HB3 ALA A 77 12.299 4.384 -1.718 1.00 0.00 H new ATOM 1199 N LYS A 78 13.613 6.728 -0.234 1.00 0.00 N ATOM 1200 CA LYS A 78 14.845 7.324 0.280 1.00 0.00 C ATOM 1201 C LYS A 78 14.579 8.280 1.441 1.00 0.00 C ATOM 1202 O LYS A 78 15.378 8.299 2.382 1.00 0.00 O ATOM 1203 CB LYS A 78 15.594 8.032 -0.859 1.00 0.00 C ATOM 1204 CG LYS A 78 16.363 7.065 -1.775 1.00 0.00 C ATOM 1205 CD LYS A 78 16.757 7.784 -3.072 1.00 0.00 C ATOM 1206 CE LYS A 78 17.562 6.876 -4.010 1.00 0.00 C ATOM 1207 NZ LYS A 78 18.013 7.621 -5.208 1.00 0.00 N ATOM 0 H LYS A 78 13.471 6.892 -1.231 1.00 0.00 H new ATOM 0 HA LYS A 78 15.470 6.522 0.673 1.00 0.00 H new ATOM 0 HB2 LYS A 78 14.880 8.598 -1.457 1.00 0.00 H new ATOM 0 HB3 LYS A 78 16.293 8.751 -0.433 1.00 0.00 H new ATOM 0 HG2 LYS A 78 17.254 6.698 -1.266 1.00 0.00 H new ATOM 0 HG3 LYS A 78 15.746 6.196 -2.003 1.00 0.00 H new ATOM 0 HD2 LYS A 78 15.858 8.128 -3.583 1.00 0.00 H new ATOM 0 HD3 LYS A 78 17.345 8.670 -2.831 1.00 0.00 H new ATOM 0 HE2 LYS A 78 18.426 6.474 -3.481 1.00 0.00 H new ATOM 0 HE3 LYS A 78 16.950 6.027 -4.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 18.556 6.986 -5.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 17.186 7.984 -5.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 18.615 8.417 -4.916 1.00 0.00 H new ATOM 1221 N LYS A 79 13.471 9.026 1.441 1.00 0.00 N ATOM 1222 CA LYS A 79 13.065 9.897 2.547 1.00 0.00 C ATOM 1223 C LYS A 79 12.858 9.134 3.851 1.00 0.00 C ATOM 1224 O LYS A 79 12.907 9.758 4.910 1.00 0.00 O ATOM 1225 CB LYS A 79 11.780 10.653 2.205 1.00 0.00 C ATOM 1226 CG LYS A 79 11.958 11.596 1.014 1.00 0.00 C ATOM 1227 CD LYS A 79 10.814 12.609 1.015 1.00 0.00 C ATOM 1228 CE LYS A 79 10.516 13.173 -0.374 1.00 0.00 C ATOM 1229 NZ LYS A 79 11.645 13.898 -0.991 1.00 0.00 N ATOM 0 H LYS A 79 12.819 9.042 0.657 1.00 0.00 H new ATOM 0 HA LYS A 79 13.884 10.601 2.692 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.989 9.937 1.983 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.457 11.226 3.074 1.00 0.00 H new ATOM 0 HG2 LYS A 79 12.917 12.110 1.079 1.00 0.00 H new ATOM 0 HG3 LYS A 79 11.961 11.031 0.082 1.00 0.00 H new ATOM 0 HD2 LYS A 79 9.915 12.134 1.409 1.00 0.00 H new ATOM 0 HD3 LYS A 79 11.062 13.429 1.689 1.00 0.00 H new ATOM 0 HE2 LYS A 79 10.223 12.354 -1.031 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.662 13.846 -0.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 11.439 14.070 -1.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 11.781 14.807 -0.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 12.511 13.328 -0.908 1.00 0.00 H new ATOM 1243 N HIS A 80 12.658 7.817 3.820 1.00 0.00 N ATOM 1244 CA HIS A 80 12.457 6.989 5.006 1.00 0.00 C ATOM 1245 C HIS A 80 13.691 6.110 5.261 1.00 0.00 C ATOM 1246 O HIS A 80 13.634 5.169 6.054 1.00 0.00 O ATOM 1247 CB HIS A 80 11.180 6.151 4.875 1.00 0.00 C ATOM 1248 CG HIS A 80 10.000 6.841 4.228 1.00 0.00 C ATOM 1249 ND1 HIS A 80 8.796 7.168 4.811 1.00 0.00 N ATOM 1250 CD2 HIS A 80 9.913 7.188 2.912 1.00 0.00 C ATOM 1251 CE1 HIS A 80 8.023 7.727 3.864 1.00 0.00 C ATOM 1252 NE2 HIS A 80 8.681 7.792 2.700 1.00 0.00 N ATOM 0 H HIS A 80 12.631 7.285 2.950 1.00 0.00 H new ATOM 0 HA HIS A 80 12.330 7.641 5.870 1.00 0.00 H new ATOM 0 HB2 HIS A 80 11.414 5.256 4.298 1.00 0.00 H new ATOM 0 HB3 HIS A 80 10.882 5.820 5.870 1.00 0.00 H new ATOM 0 HD2 HIS A 80 10.673 7.021 2.163 1.00 0.00 H new ATOM 0 HE1 HIS A 80 7.013 8.075 4.020 1.00 0.00 H new ATOM 0 HE2 HIS A 80 8.344 8.204 1.830 1.00 0.00 H new ATOM 1260 N GLY A 81 14.806 6.384 4.573 1.00 0.00 N ATOM 1261 CA GLY A 81 16.087 5.730 4.783 1.00 0.00 C ATOM 1262 C GLY A 81 16.414 4.646 3.767 1.00 0.00 C ATOM 1263 O GLY A 81 17.573 4.226 3.709 1.00 0.00 O ATOM 0 H GLY A 81 14.834 7.088 3.836 1.00 0.00 H new ATOM 0 HA2 GLY A 81 16.874 6.484 4.758 1.00 0.00 H new ATOM 0 HA3 GLY A 81 16.098 5.291 5.781 1.00 0.00 H new ATOM 1267 N ALA A 82 15.431 4.204 2.977 1.00 0.00 N ATOM 1268 CA ALA A 82 15.617 3.102 2.039 1.00 0.00 C ATOM 1269 C ALA A 82 16.727 3.451 1.036 1.00 0.00 C ATOM 1270 O ALA A 82 16.844 4.589 0.577 1.00 0.00 O ATOM 1271 CB ALA A 82 14.304 2.756 1.320 1.00 0.00 C ATOM 0 H ALA A 82 14.491 4.600 2.972 1.00 0.00 H new ATOM 0 HA ALA A 82 15.920 2.217 2.598 1.00 0.00 H new ATOM 0 HB1 ALA A 82 14.475 1.931 0.628 1.00 0.00 H new ATOM 0 HB2 ALA A 82 13.553 2.464 2.054 1.00 0.00 H new ATOM 0 HB3 ALA A 82 13.952 3.627 0.767 1.00 0.00 H new ATOM 1277 N ASP A 83 17.581 2.490 0.697 1.00 0.00 N ATOM 1278 CA ASP A 83 18.519 2.607 -0.400 1.00 0.00 C ATOM 1279 C ASP A 83 17.850 2.223 -1.714 1.00 0.00 C ATOM 1280 O ASP A 83 16.736 1.699 -1.731 1.00 0.00 O ATOM 1281 CB ASP A 83 19.757 1.772 -0.144 1.00 0.00 C ATOM 1282 CG ASP A 83 20.359 1.888 1.253 1.00 0.00 C ATOM 1283 OD1 ASP A 83 20.719 3.018 1.652 1.00 0.00 O ATOM 1284 OD2 ASP A 83 20.467 0.861 1.958 1.00 0.00 O ATOM 0 H ASP A 83 17.637 1.597 1.188 1.00 0.00 H new ATOM 0 HA ASP A 83 18.836 3.647 -0.475 1.00 0.00 H new ATOM 0 HB2 ASP A 83 19.511 0.726 -0.327 1.00 0.00 H new ATOM 0 HB3 ASP A 83 20.518 2.053 -0.872 1.00 0.00 H new ATOM 1289 N GLU A 84 18.544 2.455 -2.824 1.00 0.00 N ATOM 1290 CA GLU A 84 18.138 2.085 -4.165 1.00 0.00 C ATOM 1291 C GLU A 84 18.036 0.559 -4.252 1.00 0.00 C ATOM 1292 O GLU A 84 17.019 0.042 -4.711 1.00 0.00 O ATOM 1293 CB GLU A 84 19.152 2.751 -5.107 1.00 0.00 C ATOM 1294 CG GLU A 84 19.490 1.993 -6.390 1.00 0.00 C ATOM 1295 CD GLU A 84 20.423 2.807 -7.298 1.00 0.00 C ATOM 1296 OE1 GLU A 84 21.119 3.720 -6.799 1.00 0.00 O ATOM 1297 OE2 GLU A 84 20.463 2.551 -8.523 1.00 0.00 O ATOM 0 H GLU A 84 19.447 2.929 -2.806 1.00 0.00 H new ATOM 0 HA GLU A 84 17.147 2.434 -4.455 1.00 0.00 H new ATOM 0 HB2 GLU A 84 18.768 3.733 -5.382 1.00 0.00 H new ATOM 0 HB3 GLU A 84 20.077 2.914 -4.553 1.00 0.00 H new ATOM 0 HG2 GLU A 84 19.963 1.044 -6.139 1.00 0.00 H new ATOM 0 HG3 GLU A 84 18.571 1.759 -6.928 1.00 0.00 H new ATOM 1304 N THR A 85 19.028 -0.167 -3.725 1.00 0.00 N ATOM 1305 CA THR A 85 18.972 -1.625 -3.680 1.00 0.00 C ATOM 1306 C THR A 85 17.826 -2.098 -2.775 1.00 0.00 C ATOM 1307 O THR A 85 17.197 -3.111 -3.069 1.00 0.00 O ATOM 1308 CB THR A 85 20.310 -2.211 -3.197 1.00 0.00 C ATOM 1309 OG1 THR A 85 21.403 -1.640 -3.899 1.00 0.00 O ATOM 1310 CG2 THR A 85 20.351 -3.729 -3.393 1.00 0.00 C ATOM 0 H THR A 85 19.876 0.234 -3.325 1.00 0.00 H new ATOM 0 HA THR A 85 18.785 -1.984 -4.692 1.00 0.00 H new ATOM 0 HB THR A 85 20.392 -1.975 -2.136 1.00 0.00 H new ATOM 0 HG1 THR A 85 22.241 -2.029 -3.572 1.00 0.00 H new ATOM 0 HG21 THR A 85 21.308 -4.115 -3.043 1.00 0.00 H new ATOM 0 HG22 THR A 85 19.544 -4.191 -2.825 1.00 0.00 H new ATOM 0 HG23 THR A 85 20.230 -3.963 -4.451 1.00 0.00 H new ATOM 1318 N MET A 86 17.547 -1.405 -1.667 1.00 0.00 N ATOM 1319 CA MET A 86 16.540 -1.829 -0.720 1.00 0.00 C ATOM 1320 C MET A 86 15.133 -1.620 -1.267 1.00 0.00 C ATOM 1321 O MET A 86 14.281 -2.470 -1.036 1.00 0.00 O ATOM 1322 CB MET A 86 16.772 -1.082 0.586 1.00 0.00 C ATOM 1323 CG MET A 86 18.065 -1.562 1.251 1.00 0.00 C ATOM 1324 SD MET A 86 18.101 -1.651 3.064 1.00 0.00 S ATOM 1325 CE MET A 86 17.518 -0.003 3.549 1.00 0.00 C ATOM 0 H MET A 86 18.018 -0.537 -1.412 1.00 0.00 H new ATOM 0 HA MET A 86 16.627 -2.900 -0.539 1.00 0.00 H new ATOM 0 HB2 MET A 86 16.830 -0.011 0.395 1.00 0.00 H new ATOM 0 HB3 MET A 86 15.929 -1.241 1.258 1.00 0.00 H new ATOM 0 HG2 MET A 86 18.293 -2.554 0.862 1.00 0.00 H new ATOM 0 HG3 MET A 86 18.871 -0.901 0.932 1.00 0.00 H new ATOM 0 HE1 MET A 86 17.529 0.082 4.636 1.00 0.00 H new ATOM 0 HE2 MET A 86 18.172 0.755 3.119 1.00 0.00 H new ATOM 0 HE3 MET A 86 16.502 0.146 3.184 1.00 0.00 H new ATOM 1335 N ALA A 87 14.907 -0.560 -2.043 1.00 0.00 N ATOM 1336 CA ALA A 87 13.713 -0.468 -2.864 1.00 0.00 C ATOM 1337 C ALA A 87 13.697 -1.634 -3.844 1.00 0.00 C ATOM 1338 O ALA A 87 12.727 -2.385 -3.882 1.00 0.00 O ATOM 1339 CB ALA A 87 13.661 0.887 -3.574 1.00 0.00 C ATOM 0 H ALA A 87 15.535 0.240 -2.116 1.00 0.00 H new ATOM 0 HA ALA A 87 12.820 -0.533 -2.242 1.00 0.00 H new ATOM 0 HB1 ALA A 87 12.761 0.943 -4.186 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.646 1.686 -2.833 1.00 0.00 H new ATOM 0 HB3 ALA A 87 14.539 0.999 -4.210 1.00 0.00 H new ATOM 1345 N GLN A 88 14.773 -1.822 -4.616 1.00 0.00 N ATOM 1346 CA GLN A 88 14.816 -2.833 -5.664 1.00 0.00 C ATOM 1347 C GLN A 88 14.500 -4.237 -5.135 1.00 0.00 C ATOM 1348 O GLN A 88 13.817 -4.980 -5.831 1.00 0.00 O ATOM 1349 CB GLN A 88 16.171 -2.781 -6.393 1.00 0.00 C ATOM 1350 CG GLN A 88 16.181 -3.480 -7.761 1.00 0.00 C ATOM 1351 CD GLN A 88 15.641 -2.595 -8.881 1.00 0.00 C ATOM 1352 OE1 GLN A 88 16.408 -2.071 -9.684 1.00 0.00 O ATOM 1353 NE2 GLN A 88 14.332 -2.405 -8.943 1.00 0.00 N ATOM 0 H GLN A 88 15.631 -1.278 -4.528 1.00 0.00 H new ATOM 0 HA GLN A 88 14.030 -2.604 -6.384 1.00 0.00 H new ATOM 0 HB2 GLN A 88 16.457 -1.738 -6.529 1.00 0.00 H new ATOM 0 HB3 GLN A 88 16.929 -3.239 -5.758 1.00 0.00 H new ATOM 0 HG2 GLN A 88 17.200 -3.782 -8.002 1.00 0.00 H new ATOM 0 HG3 GLN A 88 15.584 -4.390 -7.703 1.00 0.00 H new ATOM 0 HE21 GLN A 88 13.719 -2.853 -8.262 1.00 0.00 H new ATOM 0 HE22 GLN A 88 13.937 -1.810 -9.672 1.00 0.00 H new ATOM 1362 N GLN A 89 14.938 -4.577 -3.917 1.00 0.00 N ATOM 1363 CA GLN A 89 14.560 -5.782 -3.182 1.00 0.00 C ATOM 1364 C GLN A 89 13.037 -5.907 -3.145 1.00 0.00 C ATOM 1365 O GLN A 89 12.476 -6.907 -3.581 1.00 0.00 O ATOM 1366 CB GLN A 89 15.128 -5.705 -1.747 1.00 0.00 C ATOM 1367 CG GLN A 89 16.569 -6.210 -1.617 1.00 0.00 C ATOM 1368 CD GLN A 89 16.687 -7.719 -1.409 1.00 0.00 C ATOM 1369 OE1 GLN A 89 15.800 -8.513 -1.710 1.00 0.00 O ATOM 1370 NE2 GLN A 89 17.803 -8.165 -0.862 1.00 0.00 N ATOM 0 H GLN A 89 15.593 -3.993 -3.398 1.00 0.00 H new ATOM 0 HA GLN A 89 14.970 -6.660 -3.680 1.00 0.00 H new ATOM 0 HB2 GLN A 89 15.085 -4.671 -1.405 1.00 0.00 H new ATOM 0 HB3 GLN A 89 14.489 -6.287 -1.083 1.00 0.00 H new ATOM 0 HG2 GLN A 89 17.121 -5.934 -2.515 1.00 0.00 H new ATOM 0 HG3 GLN A 89 17.047 -5.701 -0.780 1.00 0.00 H new ATOM 0 HE21 GLN A 89 18.544 -7.511 -0.609 1.00 0.00 H new ATOM 0 HE22 GLN A 89 17.924 -9.163 -0.692 1.00 0.00 H new ATOM 1379 N LEU A 90 12.362 -4.898 -2.599 1.00 0.00 N ATOM 1380 CA LEU A 90 10.922 -4.913 -2.380 1.00 0.00 C ATOM 1381 C LEU A 90 10.159 -4.912 -3.706 1.00 0.00 C ATOM 1382 O LEU A 90 9.108 -5.534 -3.801 1.00 0.00 O ATOM 1383 CB LEU A 90 10.535 -3.696 -1.530 1.00 0.00 C ATOM 1384 CG LEU A 90 11.221 -3.661 -0.144 1.00 0.00 C ATOM 1385 CD1 LEU A 90 11.049 -2.291 0.488 1.00 0.00 C ATOM 1386 CD2 LEU A 90 10.712 -4.693 0.866 1.00 0.00 C ATOM 0 H LEU A 90 12.810 -4.034 -2.292 1.00 0.00 H new ATOM 0 HA LEU A 90 10.652 -5.828 -1.853 1.00 0.00 H new ATOM 0 HB2 LEU A 90 10.791 -2.787 -2.075 1.00 0.00 H new ATOM 0 HB3 LEU A 90 9.454 -3.690 -1.391 1.00 0.00 H new ATOM 0 HG LEU A 90 12.263 -3.902 -0.355 1.00 0.00 H new ATOM 0 HD11 LEU A 90 11.535 -2.277 1.463 1.00 0.00 H new ATOM 0 HD12 LEU A 90 11.501 -1.535 -0.154 1.00 0.00 H new ATOM 0 HD13 LEU A 90 9.987 -2.077 0.609 1.00 0.00 H new ATOM 0 HD21 LEU A 90 11.257 -4.584 1.804 1.00 0.00 H new ATOM 0 HD22 LEU A 90 9.648 -4.534 1.044 1.00 0.00 H new ATOM 0 HD23 LEU A 90 10.867 -5.697 0.470 1.00 0.00 H new ATOM 1398 N ILE A 91 10.688 -4.252 -4.726 1.00 0.00 N ATOM 1399 CA ILE A 91 10.135 -4.244 -6.084 1.00 0.00 C ATOM 1400 C ILE A 91 10.240 -5.647 -6.713 1.00 0.00 C ATOM 1401 O ILE A 91 9.292 -6.126 -7.336 1.00 0.00 O ATOM 1402 CB ILE A 91 10.847 -3.122 -6.874 1.00 0.00 C ATOM 1403 CG1 ILE A 91 10.314 -1.751 -6.388 1.00 0.00 C ATOM 1404 CG2 ILE A 91 10.694 -3.249 -8.401 1.00 0.00 C ATOM 1405 CD1 ILE A 91 11.345 -0.628 -6.443 1.00 0.00 C ATOM 0 H ILE A 91 11.535 -3.691 -4.636 1.00 0.00 H new ATOM 0 HA ILE A 91 9.068 -4.020 -6.092 1.00 0.00 H new ATOM 0 HB ILE A 91 11.915 -3.213 -6.677 1.00 0.00 H new ATOM 0 HG12 ILE A 91 9.454 -1.471 -6.997 1.00 0.00 H new ATOM 0 HG13 ILE A 91 9.959 -1.854 -5.363 1.00 0.00 H new ATOM 0 HG21 ILE A 91 11.219 -2.428 -8.889 1.00 0.00 H new ATOM 0 HG22 ILE A 91 11.117 -4.198 -8.731 1.00 0.00 H new ATOM 0 HG23 ILE A 91 9.637 -3.212 -8.665 1.00 0.00 H new ATOM 0 HD11 ILE A 91 10.894 0.298 -6.087 1.00 0.00 H new ATOM 0 HD12 ILE A 91 12.196 -0.884 -5.811 1.00 0.00 H new ATOM 0 HD13 ILE A 91 11.683 -0.495 -7.471 1.00 0.00 H new ATOM 1417 N ASP A 92 11.364 -6.347 -6.524 1.00 0.00 N ATOM 1418 CA ASP A 92 11.547 -7.723 -7.006 1.00 0.00 C ATOM 1419 C ASP A 92 10.513 -8.644 -6.386 1.00 0.00 C ATOM 1420 O ASP A 92 9.986 -9.545 -7.040 1.00 0.00 O ATOM 1421 CB ASP A 92 12.935 -8.249 -6.614 1.00 0.00 C ATOM 1422 CG ASP A 92 13.500 -9.294 -7.581 1.00 0.00 C ATOM 1423 OD1 ASP A 92 13.237 -9.219 -8.800 1.00 0.00 O ATOM 1424 OD2 ASP A 92 14.310 -10.147 -7.137 1.00 0.00 O ATOM 0 H ASP A 92 12.176 -5.975 -6.031 1.00 0.00 H new ATOM 0 HA ASP A 92 11.440 -7.709 -8.091 1.00 0.00 H new ATOM 0 HB2 ASP A 92 13.628 -7.409 -6.557 1.00 0.00 H new ATOM 0 HB3 ASP A 92 12.879 -8.685 -5.616 1.00 0.00 H new ATOM 1429 N ILE A 93 10.250 -8.406 -5.103 1.00 0.00 N ATOM 1430 CA ILE A 93 9.199 -9.050 -4.338 1.00 0.00 C ATOM 1431 C ILE A 93 7.806 -8.713 -4.887 1.00 0.00 C ATOM 1432 O ILE A 93 7.021 -9.649 -4.953 1.00 0.00 O ATOM 1433 CB ILE A 93 9.348 -8.730 -2.836 1.00 0.00 C ATOM 1434 CG1 ILE A 93 10.691 -9.299 -2.325 1.00 0.00 C ATOM 1435 CG2 ILE A 93 8.200 -9.339 -2.020 1.00 0.00 C ATOM 1436 CD1 ILE A 93 11.056 -8.907 -0.891 1.00 0.00 C ATOM 0 H ILE A 93 10.785 -7.734 -4.553 1.00 0.00 H new ATOM 0 HA ILE A 93 9.306 -10.129 -4.448 1.00 0.00 H new ATOM 0 HB ILE A 93 9.321 -7.647 -2.712 1.00 0.00 H new ATOM 0 HG12 ILE A 93 10.656 -10.386 -2.391 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.487 -8.965 -2.991 1.00 0.00 H new ATOM 0 HG21 ILE A 93 8.334 -9.096 -0.966 1.00 0.00 H new ATOM 0 HG22 ILE A 93 7.250 -8.933 -2.368 1.00 0.00 H new ATOM 0 HG23 ILE A 93 8.199 -10.422 -2.145 1.00 0.00 H new ATOM 0 HD11 ILE A 93 12.014 -9.354 -0.624 1.00 0.00 H new ATOM 0 HD12 ILE A 93 11.129 -7.822 -0.818 1.00 0.00 H new ATOM 0 HD13 ILE A 93 10.286 -9.266 -0.208 1.00 0.00 H new ATOM 1448 N VAL A 94 7.460 -7.478 -5.293 1.00 0.00 N ATOM 1449 CA VAL A 94 6.108 -7.191 -5.833 1.00 0.00 C ATOM 1450 C VAL A 94 5.914 -8.105 -7.038 1.00 0.00 C ATOM 1451 O VAL A 94 5.013 -8.950 -7.064 1.00 0.00 O ATOM 1452 CB VAL A 94 5.878 -5.695 -6.209 1.00 0.00 C ATOM 1453 CG1 VAL A 94 4.547 -5.413 -6.947 1.00 0.00 C ATOM 1454 CG2 VAL A 94 5.865 -4.774 -4.980 1.00 0.00 C ATOM 0 H VAL A 94 8.083 -6.671 -5.261 1.00 0.00 H new ATOM 0 HA VAL A 94 5.368 -7.385 -5.057 1.00 0.00 H new ATOM 0 HB VAL A 94 6.721 -5.488 -6.869 1.00 0.00 H new ATOM 0 HG11 VAL A 94 4.472 -4.348 -7.168 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.520 -5.980 -7.878 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.710 -5.712 -6.315 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.701 -3.744 -5.299 1.00 0.00 H new ATOM 0 HG22 VAL A 94 5.063 -5.077 -4.307 1.00 0.00 H new ATOM 0 HG23 VAL A 94 6.821 -4.846 -4.461 1.00 0.00 H new ATOM 1464 N HIS A 95 6.841 -8.003 -7.988 1.00 0.00 N ATOM 1465 CA HIS A 95 6.798 -8.690 -9.266 1.00 0.00 C ATOM 1466 C HIS A 95 7.107 -10.181 -9.115 1.00 0.00 C ATOM 1467 O HIS A 95 7.003 -10.942 -10.075 1.00 0.00 O ATOM 1468 CB HIS A 95 7.812 -7.989 -10.166 1.00 0.00 C ATOM 1469 CG HIS A 95 7.507 -6.519 -10.390 1.00 0.00 C ATOM 1470 ND1 HIS A 95 8.444 -5.534 -10.605 1.00 0.00 N ATOM 1471 CD2 HIS A 95 6.279 -5.905 -10.341 1.00 0.00 C ATOM 1472 CE1 HIS A 95 7.797 -4.361 -10.703 1.00 0.00 C ATOM 1473 NE2 HIS A 95 6.468 -4.543 -10.606 1.00 0.00 N ATOM 0 H HIS A 95 7.670 -7.418 -7.880 1.00 0.00 H new ATOM 0 HA HIS A 95 5.799 -8.643 -9.700 1.00 0.00 H new ATOM 0 HB2 HIS A 95 8.804 -8.083 -9.724 1.00 0.00 H new ATOM 0 HB3 HIS A 95 7.843 -8.497 -11.130 1.00 0.00 H new ATOM 0 HD1 HIS A 95 9.452 -5.671 -10.677 1.00 0.00 H new ATOM 0 HD2 HIS A 95 5.335 -6.387 -10.135 1.00 0.00 H new ATOM 0 HE1 HIS A 95 8.278 -3.404 -10.841 1.00 0.00 H new ATOM 1481 N GLY A 96 7.503 -10.604 -7.920 1.00 0.00 N ATOM 1482 CA GLY A 96 7.678 -11.981 -7.502 1.00 0.00 C ATOM 1483 C GLY A 96 6.438 -12.569 -6.838 1.00 0.00 C ATOM 1484 O GLY A 96 6.085 -13.731 -7.043 1.00 0.00 O ATOM 0 H GLY A 96 7.724 -9.947 -7.172 1.00 0.00 H new ATOM 0 HA2 GLY A 96 7.940 -12.587 -8.370 1.00 0.00 H new ATOM 0 HA3 GLY A 96 8.516 -12.040 -6.808 1.00 0.00 H new ATOM 1488 N CYS A 97 5.728 -11.741 -6.087 1.00 0.00 N ATOM 1489 CA CYS A 97 4.606 -12.128 -5.254 1.00 0.00 C ATOM 1490 C CYS A 97 3.363 -12.258 -6.104 1.00 0.00 C ATOM 1491 O CYS A 97 2.562 -13.162 -5.855 1.00 0.00 O ATOM 1492 CB CYS A 97 4.373 -11.120 -4.126 1.00 0.00 C ATOM 1493 SG CYS A 97 5.342 -11.477 -2.641 1.00 0.00 S ATOM 0 H CYS A 97 5.928 -10.742 -6.041 1.00 0.00 H new ATOM 0 HA CYS A 97 4.836 -13.090 -4.796 1.00 0.00 H new ATOM 0 HB2 CYS A 97 4.622 -10.121 -4.483 1.00 0.00 H new ATOM 0 HB3 CYS A 97 3.314 -11.112 -3.868 1.00 0.00 H new ATOM 1498 N GLU A 98 3.244 -11.440 -7.149 1.00 0.00 N ATOM 1499 CA GLU A 98 2.248 -11.646 -8.179 1.00 0.00 C ATOM 1500 C GLU A 98 2.304 -13.085 -8.690 1.00 0.00 C ATOM 1501 O GLU A 98 1.273 -13.727 -8.857 1.00 0.00 O ATOM 1502 CB GLU A 98 2.487 -10.719 -9.357 1.00 0.00 C ATOM 1503 CG GLU A 98 2.156 -9.276 -9.007 1.00 0.00 C ATOM 1504 CD GLU A 98 2.049 -8.431 -10.275 1.00 0.00 C ATOM 1505 OE1 GLU A 98 1.330 -8.852 -11.216 1.00 0.00 O ATOM 1506 OE2 GLU A 98 2.605 -7.321 -10.333 1.00 0.00 O ATOM 0 H GLU A 98 3.836 -10.623 -7.298 1.00 0.00 H new ATOM 0 HA GLU A 98 1.273 -11.437 -7.738 1.00 0.00 H new ATOM 0 HB2 GLU A 98 3.529 -10.789 -9.671 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.877 -11.038 -10.202 1.00 0.00 H new ATOM 0 HG2 GLU A 98 1.217 -9.235 -8.455 1.00 0.00 H new ATOM 0 HG3 GLU A 98 2.927 -8.867 -8.354 1.00 0.00 H new ATOM 1513 N LYS A 99 3.517 -13.596 -8.921 1.00 0.00 N ATOM 1514 CA LYS A 99 3.742 -14.908 -9.518 1.00 0.00 C ATOM 1515 C LYS A 99 3.242 -16.007 -8.589 1.00 0.00 C ATOM 1516 O LYS A 99 2.681 -16.996 -9.055 1.00 0.00 O ATOM 1517 CB LYS A 99 5.205 -15.118 -9.894 1.00 0.00 C ATOM 1518 CG LYS A 99 5.821 -13.891 -10.563 1.00 0.00 C ATOM 1519 CD LYS A 99 5.154 -13.466 -11.871 1.00 0.00 C ATOM 1520 CE LYS A 99 5.487 -14.461 -12.985 1.00 0.00 C ATOM 1521 NZ LYS A 99 4.279 -14.974 -13.657 1.00 0.00 N ATOM 0 H LYS A 99 4.379 -13.100 -8.694 1.00 0.00 H new ATOM 0 HA LYS A 99 3.170 -14.956 -10.445 1.00 0.00 H new ATOM 0 HB2 LYS A 99 5.775 -15.363 -8.998 1.00 0.00 H new ATOM 0 HB3 LYS A 99 5.285 -15.972 -10.566 1.00 0.00 H new ATOM 0 HG2 LYS A 99 5.781 -13.056 -9.864 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.874 -14.093 -10.758 1.00 0.00 H new ATOM 0 HD2 LYS A 99 4.074 -13.410 -11.735 1.00 0.00 H new ATOM 0 HD3 LYS A 99 5.492 -12.469 -12.152 1.00 0.00 H new ATOM 0 HE2 LYS A 99 6.131 -13.978 -13.720 1.00 0.00 H new ATOM 0 HE3 LYS A 99 6.050 -15.296 -12.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 4.555 -15.644 -14.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 3.675 -15.459 -12.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 3.754 -14.182 -14.080 1.00 0.00 H new ATOM 1535 N SER A 100 3.429 -15.821 -7.282 1.00 0.00 N ATOM 1536 CA SER A 100 2.963 -16.746 -6.261 1.00 0.00 C ATOM 1537 C SER A 100 1.443 -16.678 -6.029 1.00 0.00 C ATOM 1538 O SER A 100 0.902 -17.502 -5.279 1.00 0.00 O ATOM 1539 CB SER A 100 3.728 -16.454 -4.969 1.00 0.00 C ATOM 1540 OG SER A 100 3.301 -15.266 -4.332 1.00 0.00 O ATOM 0 H SER A 100 3.916 -15.010 -6.902 1.00 0.00 H new ATOM 0 HA SER A 100 3.158 -17.762 -6.603 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.605 -17.292 -4.283 1.00 0.00 H new ATOM 0 HB3 SER A 100 4.792 -16.378 -5.192 1.00 0.00 H new ATOM 0 HG SER A 100 2.978 -14.631 -5.006 1.00 0.00 H new ATOM 1546 N THR A 101 0.762 -15.684 -6.604 1.00 0.00 N ATOM 1547 CA THR A 101 -0.642 -15.387 -6.360 1.00 0.00 C ATOM 1548 C THR A 101 -1.446 -15.709 -7.627 1.00 0.00 C ATOM 1549 O THR A 101 -1.368 -14.971 -8.611 1.00 0.00 O ATOM 1550 CB THR A 101 -0.826 -13.933 -5.905 1.00 0.00 C ATOM 1551 OG1 THR A 101 0.071 -13.610 -4.857 1.00 0.00 O ATOM 1552 CG2 THR A 101 -2.238 -13.763 -5.347 1.00 0.00 C ATOM 0 H THR A 101 1.192 -15.046 -7.274 1.00 0.00 H new ATOM 0 HA THR A 101 -1.016 -16.010 -5.547 1.00 0.00 H new ATOM 0 HB THR A 101 -0.644 -13.287 -6.764 1.00 0.00 H new ATOM 0 HG1 THR A 101 0.977 -13.515 -5.219 1.00 0.00 H new ATOM 0 HG21 THR A 101 -2.379 -12.733 -5.021 1.00 0.00 H new ATOM 0 HG22 THR A 101 -2.967 -14.001 -6.122 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.378 -14.434 -4.500 1.00 0.00 H new ATOM 1560 N PRO A 102 -2.214 -16.809 -7.643 1.00 0.00 N ATOM 1561 CA PRO A 102 -2.824 -17.300 -8.866 1.00 0.00 C ATOM 1562 C PRO A 102 -3.885 -16.317 -9.356 1.00 0.00 C ATOM 1563 O PRO A 102 -4.700 -15.834 -8.557 1.00 0.00 O ATOM 1564 CB PRO A 102 -3.390 -18.677 -8.526 1.00 0.00 C ATOM 1565 CG PRO A 102 -3.577 -18.655 -7.010 1.00 0.00 C ATOM 1566 CD PRO A 102 -2.555 -17.642 -6.507 1.00 0.00 C ATOM 0 HA PRO A 102 -2.112 -17.388 -9.687 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -4.335 -18.855 -9.039 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -2.708 -19.471 -8.830 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -4.591 -18.361 -6.741 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -3.405 -19.640 -6.576 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -2.968 -17.043 -5.696 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -1.671 -18.144 -6.114 1.00 0.00 H new ATOM 1574 N ALA A 103 -3.849 -16.045 -10.663 1.00 0.00 N ATOM 1575 CA ALA A 103 -4.611 -15.068 -11.426 1.00 0.00 C ATOM 1576 C ALA A 103 -6.107 -15.256 -11.215 1.00 0.00 C ATOM 1577 O ALA A 103 -6.754 -16.108 -11.839 1.00 0.00 O ATOM 1578 CB ALA A 103 -4.244 -15.179 -12.904 1.00 0.00 C ATOM 0 H ALA A 103 -3.216 -16.563 -11.272 1.00 0.00 H new ATOM 0 HA ALA A 103 -4.359 -14.068 -11.074 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -4.814 -14.447 -13.476 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.178 -14.987 -13.030 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -4.477 -16.182 -13.262 1.00 0.00 H new ATOM 1584 N ASN A 104 -6.613 -14.498 -10.256 1.00 0.00 N ATOM 1585 CA ASN A 104 -7.985 -14.549 -9.788 1.00 0.00 C ATOM 1586 C ASN A 104 -8.882 -13.757 -10.732 1.00 0.00 C ATOM 1587 O ASN A 104 -8.431 -12.824 -11.392 1.00 0.00 O ATOM 1588 CB ASN A 104 -8.035 -13.945 -8.383 1.00 0.00 C ATOM 1589 CG ASN A 104 -9.138 -14.514 -7.520 1.00 0.00 C ATOM 1590 OD1 ASN A 104 -10.320 -14.490 -7.853 1.00 0.00 O ATOM 1591 ND2 ASN A 104 -8.762 -15.041 -6.376 1.00 0.00 N ATOM 0 H ASN A 104 -6.054 -13.802 -9.763 1.00 0.00 H new ATOM 0 HA ASN A 104 -8.338 -15.580 -9.762 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -7.077 -14.111 -7.890 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -8.168 -12.866 -8.465 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -9.457 -15.440 -5.745 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -7.775 -15.051 -6.119 1.00 0.00 H new ATOM 1598 N ASP A 105 -10.167 -14.084 -10.763 1.00 0.00 N ATOM 1599 CA ASP A 105 -11.205 -13.278 -11.353 1.00 0.00 C ATOM 1600 C ASP A 105 -11.453 -12.011 -10.528 1.00 0.00 C ATOM 1601 O ASP A 105 -11.854 -10.977 -11.059 1.00 0.00 O ATOM 1602 CB ASP A 105 -12.481 -14.110 -11.455 1.00 0.00 C ATOM 1603 CG ASP A 105 -13.622 -13.410 -12.198 1.00 0.00 C ATOM 1604 OD1 ASP A 105 -13.403 -12.745 -13.234 1.00 0.00 O ATOM 1605 OD2 ASP A 105 -14.786 -13.684 -11.823 1.00 0.00 O ATOM 0 H ASP A 105 -10.519 -14.953 -10.360 1.00 0.00 H new ATOM 0 HA ASP A 105 -10.892 -12.964 -12.349 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -12.252 -15.047 -11.962 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -12.818 -14.365 -10.450 1.00 0.00 H new ATOM 1610 N ASP A 106 -11.214 -12.081 -9.214 1.00 0.00 N ATOM 1611 CA ASP A 106 -11.457 -11.015 -8.264 1.00 0.00 C ATOM 1612 C ASP A 106 -10.138 -10.282 -8.036 1.00 0.00 C ATOM 1613 O ASP A 106 -9.237 -10.797 -7.360 1.00 0.00 O ATOM 1614 CB ASP A 106 -11.981 -11.635 -6.970 1.00 0.00 C ATOM 1615 CG ASP A 106 -12.455 -10.601 -5.954 1.00 0.00 C ATOM 1616 OD1 ASP A 106 -11.735 -9.602 -5.743 1.00 0.00 O ATOM 1617 OD2 ASP A 106 -13.514 -10.866 -5.332 1.00 0.00 O ATOM 0 H ASP A 106 -10.831 -12.919 -8.776 1.00 0.00 H new ATOM 0 HA ASP A 106 -12.198 -10.304 -8.630 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -12.806 -12.307 -7.206 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -11.194 -12.241 -6.521 1.00 0.00 H new ATOM 1622 N LYS A 107 -9.981 -9.098 -8.637 1.00 0.00 N ATOM 1623 CA LYS A 107 -8.742 -8.337 -8.520 1.00 0.00 C ATOM 1624 C LYS A 107 -8.449 -7.985 -7.071 1.00 0.00 C ATOM 1625 O LYS A 107 -7.285 -7.886 -6.695 1.00 0.00 O ATOM 1626 CB LYS A 107 -8.797 -7.043 -9.354 1.00 0.00 C ATOM 1627 CG LYS A 107 -7.451 -6.821 -10.051 1.00 0.00 C ATOM 1628 CD LYS A 107 -7.428 -7.571 -11.391 1.00 0.00 C ATOM 1629 CE LYS A 107 -7.372 -6.535 -12.515 1.00 0.00 C ATOM 1630 NZ LYS A 107 -7.904 -7.063 -13.785 1.00 0.00 N ATOM 0 H LYS A 107 -10.698 -8.650 -9.208 1.00 0.00 H new ATOM 0 HA LYS A 107 -7.943 -8.972 -8.903 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -9.594 -7.110 -10.094 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -9.029 -6.194 -8.711 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -7.289 -5.756 -10.217 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -6.639 -7.172 -9.414 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -6.564 -8.234 -11.441 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -8.316 -8.195 -11.493 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -7.942 -5.653 -12.223 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -6.340 -6.214 -12.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -7.846 -6.327 -14.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -7.345 -7.889 -14.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -8.896 -7.345 -13.655 1.00 0.00 H new ATOM 1644 N CYS A 108 -9.486 -7.759 -6.270 1.00 0.00 N ATOM 1645 CA CYS A 108 -9.363 -7.331 -4.888 1.00 0.00 C ATOM 1646 C CYS A 108 -8.758 -8.467 -4.069 1.00 0.00 C ATOM 1647 O CYS A 108 -7.800 -8.263 -3.322 1.00 0.00 O ATOM 1648 CB CYS A 108 -10.744 -6.877 -4.390 1.00 0.00 C ATOM 1649 SG CYS A 108 -11.430 -5.635 -5.522 1.00 0.00 S ATOM 0 H CYS A 108 -10.453 -7.872 -6.574 1.00 0.00 H new ATOM 0 HA CYS A 108 -8.691 -6.479 -4.784 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -11.416 -7.733 -4.324 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -10.660 -6.460 -3.386 1.00 0.00 H new ATOM 1654 N ILE A 109 -9.277 -9.679 -4.248 1.00 0.00 N ATOM 1655 CA ILE A 109 -8.779 -10.895 -3.627 1.00 0.00 C ATOM 1656 C ILE A 109 -7.356 -11.195 -4.087 1.00 0.00 C ATOM 1657 O ILE A 109 -6.502 -11.465 -3.238 1.00 0.00 O ATOM 1658 CB ILE A 109 -9.796 -12.031 -3.887 1.00 0.00 C ATOM 1659 CG1 ILE A 109 -11.052 -11.658 -3.074 1.00 0.00 C ATOM 1660 CG2 ILE A 109 -9.234 -13.390 -3.451 1.00 0.00 C ATOM 1661 CD1 ILE A 109 -12.185 -12.667 -3.152 1.00 0.00 C ATOM 0 H ILE A 109 -10.083 -9.843 -4.851 1.00 0.00 H new ATOM 0 HA ILE A 109 -8.698 -10.781 -2.546 1.00 0.00 H new ATOM 0 HB ILE A 109 -10.023 -12.129 -4.949 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -10.767 -11.533 -2.029 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -11.419 -10.693 -3.422 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -9.972 -14.168 -3.646 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -8.324 -13.604 -4.011 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -9.007 -13.365 -2.385 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -13.024 -12.319 -2.549 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -12.504 -12.777 -4.189 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -11.841 -13.630 -2.774 1.00 0.00 H new ATOM 1673 N TRP A 110 -7.080 -11.117 -5.392 1.00 0.00 N ATOM 1674 CA TRP A 110 -5.726 -11.294 -5.902 1.00 0.00 C ATOM 1675 C TRP A 110 -4.776 -10.306 -5.217 1.00 0.00 C ATOM 1676 O TRP A 110 -3.775 -10.725 -4.640 1.00 0.00 O ATOM 1677 CB TRP A 110 -5.712 -11.161 -7.427 1.00 0.00 C ATOM 1678 CG TRP A 110 -4.368 -11.330 -8.051 1.00 0.00 C ATOM 1679 CD1 TRP A 110 -3.780 -12.486 -8.431 1.00 0.00 C ATOM 1680 CD2 TRP A 110 -3.417 -10.281 -8.358 1.00 0.00 C ATOM 1681 NE1 TRP A 110 -2.502 -12.227 -8.893 1.00 0.00 N ATOM 1682 CE2 TRP A 110 -2.233 -10.871 -8.891 1.00 0.00 C ATOM 1683 CE3 TRP A 110 -3.472 -8.880 -8.249 1.00 0.00 C ATOM 1684 CZ2 TRP A 110 -1.136 -10.086 -9.281 1.00 0.00 C ATOM 1685 CZ3 TRP A 110 -2.385 -8.087 -8.632 1.00 0.00 C ATOM 1686 CH2 TRP A 110 -1.226 -8.686 -9.138 1.00 0.00 C ATOM 0 H TRP A 110 -7.779 -10.932 -6.111 1.00 0.00 H new ATOM 0 HA TRP A 110 -5.373 -12.298 -5.667 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -6.390 -11.902 -7.850 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -6.103 -10.180 -7.697 1.00 0.00 H new ATOM 0 HD1 TRP A 110 -4.238 -13.463 -8.382 1.00 0.00 H new ATOM 0 HE1 TRP A 110 -1.843 -12.944 -9.196 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -4.365 -8.410 -7.865 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 -0.244 -10.544 -9.681 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -2.440 -7.013 -8.537 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -0.388 -8.067 -9.423 1.00 0.00 H new ATOM 1697 N THR A 111 -5.111 -9.016 -5.210 1.00 0.00 N ATOM 1698 CA THR A 111 -4.284 -7.959 -4.643 1.00 0.00 C ATOM 1699 C THR A 111 -3.998 -8.219 -3.159 1.00 0.00 C ATOM 1700 O THR A 111 -2.862 -8.027 -2.711 1.00 0.00 O ATOM 1701 CB THR A 111 -4.961 -6.599 -4.902 1.00 0.00 C ATOM 1702 OG1 THR A 111 -5.118 -6.431 -6.294 1.00 0.00 O ATOM 1703 CG2 THR A 111 -4.168 -5.400 -4.371 1.00 0.00 C ATOM 0 H THR A 111 -5.985 -8.672 -5.608 1.00 0.00 H new ATOM 0 HA THR A 111 -3.309 -7.944 -5.131 1.00 0.00 H new ATOM 0 HB THR A 111 -5.913 -6.620 -4.371 1.00 0.00 H new ATOM 0 HG1 THR A 111 -5.999 -6.764 -6.566 1.00 0.00 H new ATOM 0 HG21 THR A 111 -4.709 -4.480 -4.591 1.00 0.00 H new ATOM 0 HG22 THR A 111 -4.041 -5.497 -3.293 1.00 0.00 H new ATOM 0 HG23 THR A 111 -3.190 -5.370 -4.851 1.00 0.00 H new ATOM 1711 N LEU A 112 -4.979 -8.676 -2.366 1.00 0.00 N ATOM 1712 CA LEU A 112 -4.743 -9.029 -0.976 1.00 0.00 C ATOM 1713 C LEU A 112 -3.776 -10.206 -0.868 1.00 0.00 C ATOM 1714 O LEU A 112 -2.881 -10.170 -0.024 1.00 0.00 O ATOM 1715 CB LEU A 112 -6.080 -9.250 -0.275 1.00 0.00 C ATOM 1716 CG LEU A 112 -5.839 -9.452 1.230 1.00 0.00 C ATOM 1717 CD1 LEU A 112 -6.798 -8.596 2.052 1.00 0.00 C ATOM 1718 CD2 LEU A 112 -5.997 -10.937 1.515 1.00 0.00 C ATOM 0 H LEU A 112 -5.943 -8.807 -2.674 1.00 0.00 H new ATOM 0 HA LEU A 112 -4.248 -8.208 -0.456 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.735 -8.394 -0.438 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.584 -10.121 -0.694 1.00 0.00 H new ATOM 0 HG LEU A 112 -4.837 -9.132 1.515 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -6.609 -8.755 3.114 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -6.645 -7.544 1.810 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -7.826 -8.876 1.820 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.833 -11.123 2.576 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -7.003 -11.255 1.242 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -5.268 -11.499 0.931 1.00 0.00 H new ATOM 1730 N GLY A 113 -3.913 -11.215 -1.729 1.00 0.00 N ATOM 1731 CA GLY A 113 -2.928 -12.281 -1.885 1.00 0.00 C ATOM 1732 C GLY A 113 -1.507 -11.726 -2.039 1.00 0.00 C ATOM 1733 O GLY A 113 -0.634 -12.048 -1.227 1.00 0.00 O ATOM 0 H GLY A 113 -4.721 -11.314 -2.344 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -2.968 -12.942 -1.019 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -3.179 -12.883 -2.758 1.00 0.00 H new ATOM 1737 N VAL A 114 -1.285 -10.854 -3.030 1.00 0.00 N ATOM 1738 CA VAL A 114 0.020 -10.248 -3.310 1.00 0.00 C ATOM 1739 C VAL A 114 0.548 -9.540 -2.055 1.00 0.00 C ATOM 1740 O VAL A 114 1.669 -9.811 -1.634 1.00 0.00 O ATOM 1741 CB VAL A 114 -0.055 -9.309 -4.537 1.00 0.00 C ATOM 1742 CG1 VAL A 114 1.310 -8.705 -4.902 1.00 0.00 C ATOM 1743 CG2 VAL A 114 -0.547 -10.061 -5.779 1.00 0.00 C ATOM 0 H VAL A 114 -2.018 -10.546 -3.668 1.00 0.00 H new ATOM 0 HA VAL A 114 0.732 -11.032 -3.568 1.00 0.00 H new ATOM 0 HB VAL A 114 -0.747 -8.517 -4.251 1.00 0.00 H new ATOM 0 HG11 VAL A 114 1.200 -8.054 -5.770 1.00 0.00 H new ATOM 0 HG12 VAL A 114 1.688 -8.126 -4.060 1.00 0.00 H new ATOM 0 HG13 VAL A 114 2.011 -9.506 -5.136 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -0.590 -9.376 -6.626 1.00 0.00 H new ATOM 0 HG22 VAL A 114 0.140 -10.877 -6.006 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -1.541 -10.466 -5.589 1.00 0.00 H new ATOM 1753 N ALA A 115 -0.249 -8.684 -1.405 1.00 0.00 N ATOM 1754 CA ALA A 115 0.193 -7.965 -0.208 1.00 0.00 C ATOM 1755 C ALA A 115 0.509 -8.903 0.965 1.00 0.00 C ATOM 1756 O ALA A 115 1.408 -8.614 1.759 1.00 0.00 O ATOM 1757 CB ALA A 115 -0.866 -6.944 0.211 1.00 0.00 C ATOM 0 H ALA A 115 -1.205 -8.473 -1.690 1.00 0.00 H new ATOM 0 HA ALA A 115 1.120 -7.454 -0.468 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -0.528 -6.414 1.102 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -1.023 -6.230 -0.598 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -1.802 -7.459 0.428 1.00 0.00 H new ATOM 1763 N THR A 116 -0.219 -10.014 1.100 1.00 0.00 N ATOM 1764 CA THR A 116 0.032 -11.004 2.145 1.00 0.00 C ATOM 1765 C THR A 116 1.378 -11.700 1.880 1.00 0.00 C ATOM 1766 O THR A 116 2.135 -11.947 2.825 1.00 0.00 O ATOM 1767 CB THR A 116 -1.140 -12.004 2.218 1.00 0.00 C ATOM 1768 OG1 THR A 116 -2.381 -11.329 2.318 1.00 0.00 O ATOM 1769 CG2 THR A 116 -1.044 -12.931 3.434 1.00 0.00 C ATOM 0 H THR A 116 -0.999 -10.251 0.487 1.00 0.00 H new ATOM 0 HA THR A 116 0.098 -10.514 3.117 1.00 0.00 H new ATOM 0 HB THR A 116 -1.080 -12.588 1.300 1.00 0.00 H new ATOM 0 HG1 THR A 116 -2.608 -10.932 1.451 1.00 0.00 H new ATOM 0 HG21 THR A 116 -1.893 -13.615 3.438 1.00 0.00 H new ATOM 0 HG22 THR A 116 -0.117 -13.503 3.383 1.00 0.00 H new ATOM 0 HG23 THR A 116 -1.053 -12.336 4.347 1.00 0.00 H new ATOM 1777 N CYS A 117 1.686 -11.988 0.606 1.00 0.00 N ATOM 1778 CA CYS A 117 2.989 -12.475 0.171 1.00 0.00 C ATOM 1779 C CYS A 117 4.063 -11.440 0.486 1.00 0.00 C ATOM 1780 O CYS A 117 5.001 -11.786 1.199 1.00 0.00 O ATOM 1781 CB CYS A 117 2.970 -12.866 -1.313 1.00 0.00 C ATOM 1782 SG CYS A 117 4.592 -13.272 -2.025 1.00 0.00 S ATOM 0 H CYS A 117 1.019 -11.885 -0.159 1.00 0.00 H new ATOM 0 HA CYS A 117 3.231 -13.383 0.724 1.00 0.00 H new ATOM 0 HB2 CYS A 117 2.311 -13.725 -1.438 1.00 0.00 H new ATOM 0 HB3 CYS A 117 2.536 -12.045 -1.883 1.00 0.00 H new ATOM 1787 N PHE A 118 3.932 -10.189 0.016 1.00 0.00 N ATOM 1788 CA PHE A 118 4.964 -9.170 0.163 1.00 0.00 C ATOM 1789 C PHE A 118 5.435 -9.120 1.619 1.00 0.00 C ATOM 1790 O PHE A 118 6.597 -9.369 1.933 1.00 0.00 O ATOM 1791 CB PHE A 118 4.409 -7.823 -0.345 1.00 0.00 C ATOM 1792 CG PHE A 118 5.324 -6.611 -0.241 1.00 0.00 C ATOM 1793 CD1 PHE A 118 6.645 -6.719 0.218 1.00 0.00 C ATOM 1794 CD2 PHE A 118 4.898 -5.360 -0.721 1.00 0.00 C ATOM 1795 CE1 PHE A 118 7.483 -5.606 0.257 1.00 0.00 C ATOM 1796 CE2 PHE A 118 5.730 -4.226 -0.639 1.00 0.00 C ATOM 1797 CZ PHE A 118 7.024 -4.341 -0.125 1.00 0.00 C ATOM 0 H PHE A 118 3.101 -9.862 -0.477 1.00 0.00 H new ATOM 0 HA PHE A 118 5.841 -9.409 -0.438 1.00 0.00 H new ATOM 0 HB2 PHE A 118 4.129 -7.946 -1.391 1.00 0.00 H new ATOM 0 HB3 PHE A 118 3.495 -7.605 0.207 1.00 0.00 H new ATOM 0 HD1 PHE A 118 7.018 -7.678 0.546 1.00 0.00 H new ATOM 0 HD2 PHE A 118 3.916 -5.267 -1.160 1.00 0.00 H new ATOM 0 HE1 PHE A 118 8.504 -5.722 0.588 1.00 0.00 H new ATOM 0 HE2 PHE A 118 5.367 -3.266 -0.974 1.00 0.00 H new ATOM 0 HZ PHE A 118 7.657 -3.471 -0.025 1.00 0.00 H new ATOM 1807 N LYS A 119 4.516 -8.846 2.533 1.00 0.00 N ATOM 1808 CA LYS A 119 4.795 -8.738 3.956 1.00 0.00 C ATOM 1809 C LYS A 119 5.580 -9.929 4.494 1.00 0.00 C ATOM 1810 O LYS A 119 6.485 -9.759 5.309 1.00 0.00 O ATOM 1811 CB LYS A 119 3.463 -8.665 4.688 1.00 0.00 C ATOM 1812 CG LYS A 119 3.529 -7.650 5.832 1.00 0.00 C ATOM 1813 CD LYS A 119 2.991 -8.199 7.158 1.00 0.00 C ATOM 1814 CE LYS A 119 4.078 -8.372 8.218 1.00 0.00 C ATOM 1815 NZ LYS A 119 5.142 -9.317 7.824 1.00 0.00 N ATOM 0 H LYS A 119 3.535 -8.689 2.301 1.00 0.00 H new ATOM 0 HA LYS A 119 5.404 -7.848 4.115 1.00 0.00 H new ATOM 0 HB2 LYS A 119 2.674 -8.383 3.991 1.00 0.00 H new ATOM 0 HB3 LYS A 119 3.204 -9.648 5.082 1.00 0.00 H new ATOM 0 HG2 LYS A 119 4.563 -7.334 5.970 1.00 0.00 H new ATOM 0 HG3 LYS A 119 2.959 -6.763 5.555 1.00 0.00 H new ATOM 0 HD2 LYS A 119 2.224 -7.525 7.539 1.00 0.00 H new ATOM 0 HD3 LYS A 119 2.510 -9.161 6.978 1.00 0.00 H new ATOM 0 HE2 LYS A 119 4.526 -7.401 8.429 1.00 0.00 H new ATOM 0 HE3 LYS A 119 3.619 -8.720 9.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 5.919 -9.273 8.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 4.756 -10.283 7.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 5.501 -9.062 6.882 1.00 0.00 H new ATOM 1829 N ALA A 120 5.174 -11.132 4.099 1.00 0.00 N ATOM 1830 CA ALA A 120 5.838 -12.355 4.526 1.00 0.00 C ATOM 1831 C ALA A 120 7.272 -12.418 3.997 1.00 0.00 C ATOM 1832 O ALA A 120 8.173 -12.782 4.745 1.00 0.00 O ATOM 1833 CB ALA A 120 5.024 -13.573 4.105 1.00 0.00 C ATOM 0 H ALA A 120 4.380 -11.284 3.477 1.00 0.00 H new ATOM 0 HA ALA A 120 5.901 -12.355 5.614 1.00 0.00 H new ATOM 0 HB1 ALA A 120 5.532 -14.481 4.431 1.00 0.00 H new ATOM 0 HB2 ALA A 120 4.036 -13.526 4.563 1.00 0.00 H new ATOM 0 HB3 ALA A 120 4.921 -13.584 3.020 1.00 0.00 H new ATOM 1839 N GLU A 121 7.509 -11.994 2.756 1.00 0.00 N ATOM 1840 CA GLU A 121 8.851 -11.924 2.186 1.00 0.00 C ATOM 1841 C GLU A 121 9.716 -10.892 2.920 1.00 0.00 C ATOM 1842 O GLU A 121 10.924 -11.086 3.023 1.00 0.00 O ATOM 1843 CB GLU A 121 8.796 -11.590 0.689 1.00 0.00 C ATOM 1844 CG GLU A 121 8.122 -12.667 -0.173 1.00 0.00 C ATOM 1845 CD GLU A 121 8.977 -13.922 -0.297 1.00 0.00 C ATOM 1846 OE1 GLU A 121 8.918 -14.777 0.602 1.00 0.00 O ATOM 1847 OE2 GLU A 121 9.737 -14.048 -1.288 1.00 0.00 O ATOM 0 H GLU A 121 6.774 -11.689 2.118 1.00 0.00 H new ATOM 0 HA GLU A 121 9.307 -12.906 2.310 1.00 0.00 H new ATOM 0 HB2 GLU A 121 8.262 -10.649 0.558 1.00 0.00 H new ATOM 0 HB3 GLU A 121 9.812 -11.433 0.326 1.00 0.00 H new ATOM 0 HG2 GLU A 121 7.158 -12.928 0.263 1.00 0.00 H new ATOM 0 HG3 GLU A 121 7.925 -12.264 -1.166 1.00 0.00 H new ATOM 1854 N ILE A 122 9.151 -9.821 3.493 1.00 0.00 N ATOM 1855 CA ILE A 122 9.901 -8.939 4.391 1.00 0.00 C ATOM 1856 C ILE A 122 10.318 -9.700 5.670 1.00 0.00 C ATOM 1857 O ILE A 122 11.393 -9.448 6.206 1.00 0.00 O ATOM 1858 CB ILE A 122 9.138 -7.623 4.684 1.00 0.00 C ATOM 1859 CG1 ILE A 122 8.620 -6.921 3.416 1.00 0.00 C ATOM 1860 CG2 ILE A 122 10.002 -6.662 5.519 1.00 0.00 C ATOM 1861 CD1 ILE A 122 7.714 -5.720 3.731 1.00 0.00 C ATOM 0 H ILE A 122 8.179 -9.547 3.350 1.00 0.00 H new ATOM 0 HA ILE A 122 10.818 -8.633 3.887 1.00 0.00 H new ATOM 0 HB ILE A 122 8.258 -7.907 5.261 1.00 0.00 H new ATOM 0 HG12 ILE A 122 9.468 -6.585 2.820 1.00 0.00 H new ATOM 0 HG13 ILE A 122 8.068 -7.638 2.809 1.00 0.00 H new ATOM 0 HG21 ILE A 122 9.444 -5.745 5.712 1.00 0.00 H new ATOM 0 HG22 ILE A 122 10.261 -7.135 6.466 1.00 0.00 H new ATOM 0 HG23 ILE A 122 10.914 -6.424 4.972 1.00 0.00 H new ATOM 0 HD11 ILE A 122 7.378 -5.264 2.800 1.00 0.00 H new ATOM 0 HD12 ILE A 122 6.849 -6.057 4.303 1.00 0.00 H new ATOM 0 HD13 ILE A 122 8.271 -4.987 4.314 1.00 0.00 H new ATOM 1873 N HIS A 123 9.565 -10.708 6.120 1.00 0.00 N ATOM 1874 CA HIS A 123 9.992 -11.629 7.184 1.00 0.00 C ATOM 1875 C HIS A 123 11.091 -12.616 6.723 1.00 0.00 C ATOM 1876 O HIS A 123 11.657 -13.374 7.520 1.00 0.00 O ATOM 1877 CB HIS A 123 8.762 -12.337 7.782 1.00 0.00 C ATOM 1878 CG HIS A 123 8.590 -12.124 9.267 1.00 0.00 C ATOM 1879 ND1 HIS A 123 8.187 -13.068 10.187 1.00 0.00 N ATOM 1880 CD2 HIS A 123 8.738 -10.939 9.937 1.00 0.00 C ATOM 1881 CE1 HIS A 123 8.104 -12.468 11.384 1.00 0.00 C ATOM 1882 NE2 HIS A 123 8.457 -11.177 11.287 1.00 0.00 N ATOM 0 H HIS A 123 8.635 -10.912 5.755 1.00 0.00 H new ATOM 0 HA HIS A 123 10.464 -11.042 7.972 1.00 0.00 H new ATOM 0 HB2 HIS A 123 7.868 -11.984 7.269 1.00 0.00 H new ATOM 0 HB3 HIS A 123 8.840 -13.406 7.586 1.00 0.00 H new ATOM 0 HD2 HIS A 123 9.021 -9.992 9.502 1.00 0.00 H new ATOM 0 HE1 HIS A 123 7.796 -12.955 12.297 1.00 0.00 H new ATOM 0 HE2 HIS A 123 8.510 -10.501 12.049 1.00 0.00 H new ATOM 1890 N LYS A 124 11.432 -12.609 5.432 1.00 0.00 N ATOM 1891 CA LYS A 124 12.617 -13.236 4.850 1.00 0.00 C ATOM 1892 C LYS A 124 13.723 -12.191 4.629 1.00 0.00 C ATOM 1893 O LYS A 124 14.886 -12.559 4.465 1.00 0.00 O ATOM 1894 CB LYS A 124 12.190 -14.029 3.590 1.00 0.00 C ATOM 1895 CG LYS A 124 12.952 -13.645 2.316 1.00 0.00 C ATOM 1896 CD LYS A 124 12.210 -14.008 1.034 1.00 0.00 C ATOM 1897 CE LYS A 124 13.077 -13.810 -0.217 1.00 0.00 C ATOM 1898 NZ LYS A 124 13.651 -12.453 -0.354 1.00 0.00 N ATOM 0 H LYS A 124 10.858 -12.141 4.730 1.00 0.00 H new ATOM 0 HA LYS A 124 13.064 -13.962 5.530 1.00 0.00 H new ATOM 0 HB2 LYS A 124 12.333 -15.093 3.779 1.00 0.00 H new ATOM 0 HB3 LYS A 124 11.124 -13.876 3.422 1.00 0.00 H new ATOM 0 HG2 LYS A 124 13.143 -12.572 2.325 1.00 0.00 H new ATOM 0 HG3 LYS A 124 13.922 -14.141 2.318 1.00 0.00 H new ATOM 0 HD2 LYS A 124 11.885 -15.047 1.087 1.00 0.00 H new ATOM 0 HD3 LYS A 124 11.312 -13.396 0.951 1.00 0.00 H new ATOM 0 HE2 LYS A 124 13.890 -14.535 -0.199 1.00 0.00 H new ATOM 0 HE3 LYS A 124 12.475 -14.028 -1.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 14.179 -12.388 -1.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 12.884 -11.750 -0.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 14.293 -12.266 0.442 1.00 0.00 H new ATOM 1912 N LEU A 125 13.403 -10.894 4.558 1.00 0.00 N ATOM 1913 CA LEU A 125 14.415 -9.850 4.541 1.00 0.00 C ATOM 1914 C LEU A 125 15.048 -9.765 5.918 1.00 0.00 C ATOM 1915 O LEU A 125 14.497 -10.178 6.939 1.00 0.00 O ATOM 1916 CB LEU A 125 13.851 -8.473 4.137 1.00 0.00 C ATOM 1917 CG LEU A 125 13.636 -8.309 2.623 1.00 0.00 C ATOM 1918 CD1 LEU A 125 12.821 -7.047 2.329 1.00 0.00 C ATOM 1919 CD2 LEU A 125 15.000 -8.180 1.937 1.00 0.00 C ATOM 0 H LEU A 125 12.444 -10.549 4.511 1.00 0.00 H new ATOM 0 HA LEU A 125 15.156 -10.115 3.787 1.00 0.00 H new ATOM 0 HB2 LEU A 125 12.901 -8.316 4.648 1.00 0.00 H new ATOM 0 HB3 LEU A 125 14.532 -7.696 4.484 1.00 0.00 H new ATOM 0 HG LEU A 125 13.096 -9.179 2.249 1.00 0.00 H new ATOM 0 HD11 LEU A 125 12.679 -6.948 1.253 1.00 0.00 H new ATOM 0 HD12 LEU A 125 11.849 -7.119 2.818 1.00 0.00 H new ATOM 0 HD13 LEU A 125 13.353 -6.174 2.707 1.00 0.00 H new ATOM 0 HD21 LEU A 125 14.857 -8.063 0.863 1.00 0.00 H new ATOM 0 HD22 LEU A 125 15.524 -7.309 2.330 1.00 0.00 H new ATOM 0 HD23 LEU A 125 15.590 -9.076 2.129 1.00 0.00 H new ATOM 1931 N ASN A 126 16.216 -9.145 5.922 1.00 0.00 N ATOM 1932 CA ASN A 126 17.075 -8.927 7.065 1.00 0.00 C ATOM 1933 C ASN A 126 16.903 -7.528 7.656 1.00 0.00 C ATOM 1934 O ASN A 126 17.491 -7.242 8.699 1.00 0.00 O ATOM 1935 CB ASN A 126 18.522 -9.162 6.622 1.00 0.00 C ATOM 1936 CG ASN A 126 18.876 -8.465 5.324 1.00 0.00 C ATOM 1937 OD1 ASN A 126 18.678 -7.268 5.161 1.00 0.00 O ATOM 1938 ND2 ASN A 126 19.282 -9.200 4.314 1.00 0.00 N ATOM 0 H ASN A 126 16.613 -8.756 5.067 1.00 0.00 H new ATOM 0 HA ASN A 126 16.803 -9.625 7.857 1.00 0.00 H new ATOM 0 HB2 ASN A 126 19.195 -8.816 7.407 1.00 0.00 H new ATOM 0 HB3 ASN A 126 18.690 -10.233 6.508 1.00 0.00 H new ATOM 0 HD21 ASN A 126 19.431 -8.773 3.400 1.00 0.00 H new ATOM 0 HD22 ASN A 126 19.449 -10.198 4.444 1.00 0.00 H new ATOM 1945 N TRP A 127 16.072 -6.671 7.064 1.00 0.00 N ATOM 1946 CA TRP A 127 15.696 -5.359 7.594 1.00 0.00 C ATOM 1947 C TRP A 127 14.173 -5.297 7.735 1.00 0.00 C ATOM 1948 O TRP A 127 13.478 -6.285 7.478 1.00 0.00 O ATOM 1949 CB TRP A 127 16.267 -4.230 6.708 1.00 0.00 C ATOM 1950 CG TRP A 127 15.828 -4.204 5.274 1.00 0.00 C ATOM 1951 CD1 TRP A 127 16.100 -5.167 4.368 1.00 0.00 C ATOM 1952 CD2 TRP A 127 15.111 -3.165 4.533 1.00 0.00 C ATOM 1953 NE1 TRP A 127 15.563 -4.837 3.148 1.00 0.00 N ATOM 1954 CE2 TRP A 127 14.906 -3.633 3.201 1.00 0.00 C ATOM 1955 CE3 TRP A 127 14.634 -1.868 4.828 1.00 0.00 C ATOM 1956 CZ2 TRP A 127 14.208 -2.901 2.237 1.00 0.00 C ATOM 1957 CZ3 TRP A 127 13.993 -1.088 3.845 1.00 0.00 C ATOM 1958 CH2 TRP A 127 13.770 -1.603 2.556 1.00 0.00 C ATOM 0 H TRP A 127 15.626 -6.878 6.170 1.00 0.00 H new ATOM 0 HA TRP A 127 16.128 -5.213 8.584 1.00 0.00 H new ATOM 0 HB2 TRP A 127 16.000 -3.275 7.162 1.00 0.00 H new ATOM 0 HB3 TRP A 127 17.355 -4.300 6.728 1.00 0.00 H new ATOM 0 HD1 TRP A 127 16.660 -6.068 4.573 1.00 0.00 H new ATOM 0 HE1 TRP A 127 15.642 -5.413 2.310 1.00 0.00 H new ATOM 0 HE3 TRP A 127 14.763 -1.468 5.823 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 14.008 -3.325 1.264 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 13.670 -0.085 4.084 1.00 0.00 H new ATOM 0 HH2 TRP A 127 13.264 -1.004 1.813 1.00 0.00 H new ATOM 1969 N ALA A 128 13.647 -4.146 8.149 1.00 0.00 N ATOM 1970 CA ALA A 128 12.241 -3.803 8.032 1.00 0.00 C ATOM 1971 C ALA A 128 12.196 -2.436 7.347 1.00 0.00 C ATOM 1972 O ALA A 128 12.835 -1.509 7.851 1.00 0.00 O ATOM 1973 CB ALA A 128 11.552 -3.760 9.400 1.00 0.00 C ATOM 0 H ALA A 128 14.205 -3.412 8.585 1.00 0.00 H new ATOM 0 HA ALA A 128 11.704 -4.556 7.455 1.00 0.00 H new ATOM 0 HB1 ALA A 128 10.501 -3.500 9.270 1.00 0.00 H new ATOM 0 HB2 ALA A 128 11.628 -4.737 9.876 1.00 0.00 H new ATOM 0 HB3 ALA A 128 12.036 -3.012 10.028 1.00 0.00 H new ATOM 1979 N PRO A 129 11.493 -2.290 6.214 1.00 0.00 N ATOM 1980 CA PRO A 129 11.081 -0.987 5.712 1.00 0.00 C ATOM 1981 C PRO A 129 10.121 -0.343 6.717 1.00 0.00 C ATOM 1982 O PRO A 129 9.542 -1.033 7.567 1.00 0.00 O ATOM 1983 CB PRO A 129 10.385 -1.254 4.369 1.00 0.00 C ATOM 1984 CG PRO A 129 10.655 -2.730 4.073 1.00 0.00 C ATOM 1985 CD PRO A 129 10.869 -3.342 5.441 1.00 0.00 C ATOM 0 HA PRO A 129 11.920 -0.304 5.579 1.00 0.00 H new ATOM 0 HB2 PRO A 129 9.316 -1.053 4.431 1.00 0.00 H new ATOM 0 HB3 PRO A 129 10.785 -0.614 3.583 1.00 0.00 H new ATOM 0 HG2 PRO A 129 9.816 -3.194 3.555 1.00 0.00 H new ATOM 0 HG3 PRO A 129 11.531 -2.856 3.437 1.00 0.00 H new ATOM 0 HD2 PRO A 129 9.926 -3.656 5.887 1.00 0.00 H new ATOM 0 HD3 PRO A 129 11.506 -4.225 5.386 1.00 0.00 H new ATOM 1993 N SER A 130 9.889 0.963 6.597 1.00 0.00 N ATOM 1994 CA SER A 130 8.743 1.598 7.236 1.00 0.00 C ATOM 1995 C SER A 130 7.487 0.957 6.652 1.00 0.00 C ATOM 1996 O SER A 130 7.499 0.547 5.486 1.00 0.00 O ATOM 1997 CB SER A 130 8.724 3.108 6.942 1.00 0.00 C ATOM 1998 OG SER A 130 9.987 3.578 6.511 1.00 0.00 O ATOM 0 H SER A 130 10.480 1.600 6.063 1.00 0.00 H new ATOM 0 HA SER A 130 8.795 1.464 8.316 1.00 0.00 H new ATOM 0 HB2 SER A 130 7.978 3.319 6.176 1.00 0.00 H new ATOM 0 HB3 SER A 130 8.422 3.649 7.839 1.00 0.00 H new ATOM 0 HG SER A 130 10.381 4.143 7.208 1.00 0.00 H new ATOM 2004 N MET A 131 6.377 0.938 7.391 1.00 0.00 N ATOM 2005 CA MET A 131 5.113 0.584 6.786 1.00 0.00 C ATOM 2006 C MET A 131 4.811 1.535 5.634 1.00 0.00 C ATOM 2007 O MET A 131 4.419 1.071 4.575 1.00 0.00 O ATOM 2008 CB MET A 131 3.999 0.633 7.811 1.00 0.00 C ATOM 2009 CG MET A 131 3.987 -0.585 8.727 1.00 0.00 C ATOM 2010 SD MET A 131 5.382 -0.817 9.873 1.00 0.00 S ATOM 2011 CE MET A 131 6.339 -2.077 8.999 1.00 0.00 C ATOM 0 H MET A 131 6.336 1.160 8.386 1.00 0.00 H new ATOM 0 HA MET A 131 5.180 -0.434 6.403 1.00 0.00 H new ATOM 0 HB2 MET A 131 4.105 1.535 8.414 1.00 0.00 H new ATOM 0 HB3 MET A 131 3.041 0.705 7.297 1.00 0.00 H new ATOM 0 HG2 MET A 131 3.073 -0.546 9.320 1.00 0.00 H new ATOM 0 HG3 MET A 131 3.922 -1.473 8.098 1.00 0.00 H new ATOM 0 HE1 MET A 131 7.228 -2.325 9.578 1.00 0.00 H new ATOM 0 HE2 MET A 131 5.730 -2.971 8.868 1.00 0.00 H new ATOM 0 HE3 MET A 131 6.637 -1.695 8.022 1.00 0.00 H new ATOM 2021 N ASP A 132 5.022 2.842 5.805 1.00 0.00 N ATOM 2022 CA ASP A 132 4.750 3.833 4.763 1.00 0.00 C ATOM 2023 C ASP A 132 5.503 3.503 3.473 1.00 0.00 C ATOM 2024 O ASP A 132 4.921 3.627 2.400 1.00 0.00 O ATOM 2025 CB ASP A 132 5.066 5.250 5.257 1.00 0.00 C ATOM 2026 CG ASP A 132 4.036 5.707 6.289 1.00 0.00 C ATOM 2027 OD1 ASP A 132 4.094 5.185 7.432 1.00 0.00 O ATOM 2028 OD2 ASP A 132 3.150 6.521 5.953 1.00 0.00 O ATOM 0 H ASP A 132 5.386 3.242 6.670 1.00 0.00 H new ATOM 0 HA ASP A 132 3.685 3.796 4.533 1.00 0.00 H new ATOM 0 HB2 ASP A 132 6.063 5.273 5.697 1.00 0.00 H new ATOM 0 HB3 ASP A 132 5.074 5.941 4.414 1.00 0.00 H new ATOM 2033 N VAL A 133 6.746 3.009 3.551 1.00 0.00 N ATOM 2034 CA VAL A 133 7.470 2.503 2.387 1.00 0.00 C ATOM 2035 C VAL A 133 6.802 1.212 1.902 1.00 0.00 C ATOM 2036 O VAL A 133 6.267 1.192 0.803 1.00 0.00 O ATOM 2037 CB VAL A 133 8.980 2.357 2.682 1.00 0.00 C ATOM 2038 CG1 VAL A 133 9.775 1.828 1.481 1.00 0.00 C ATOM 2039 CG2 VAL A 133 9.591 3.710 3.057 1.00 0.00 C ATOM 0 H VAL A 133 7.273 2.951 4.422 1.00 0.00 H new ATOM 0 HA VAL A 133 7.414 3.222 1.570 1.00 0.00 H new ATOM 0 HB VAL A 133 9.047 1.643 3.503 1.00 0.00 H new ATOM 0 HG11 VAL A 133 10.828 1.747 1.749 1.00 0.00 H new ATOM 0 HG12 VAL A 133 9.396 0.846 1.198 1.00 0.00 H new ATOM 0 HG13 VAL A 133 9.666 2.515 0.642 1.00 0.00 H new ATOM 0 HG21 VAL A 133 10.654 3.585 3.261 1.00 0.00 H new ATOM 0 HG22 VAL A 133 9.459 4.410 2.232 1.00 0.00 H new ATOM 0 HG23 VAL A 133 9.095 4.100 3.946 1.00 0.00 H new ATOM 2049 N ALA A 134 6.765 0.135 2.696 1.00 0.00 N ATOM 2050 CA ALA A 134 6.308 -1.165 2.198 1.00 0.00 C ATOM 2051 C ALA A 134 4.831 -1.188 1.762 1.00 0.00 C ATOM 2052 O ALA A 134 4.418 -2.128 1.089 1.00 0.00 O ATOM 2053 CB ALA A 134 6.559 -2.251 3.243 1.00 0.00 C ATOM 0 H ALA A 134 7.044 0.138 3.677 1.00 0.00 H new ATOM 0 HA ALA A 134 6.893 -1.361 1.300 1.00 0.00 H new ATOM 0 HB1 ALA A 134 6.215 -3.211 2.860 1.00 0.00 H new ATOM 0 HB2 ALA A 134 7.626 -2.308 3.459 1.00 0.00 H new ATOM 0 HB3 ALA A 134 6.016 -2.009 4.157 1.00 0.00 H new ATOM 2059 N VAL A 135 4.022 -0.207 2.153 1.00 0.00 N ATOM 2060 CA VAL A 135 2.675 0.018 1.648 1.00 0.00 C ATOM 2061 C VAL A 135 2.778 0.923 0.406 1.00 0.00 C ATOM 2062 O VAL A 135 2.241 0.566 -0.637 1.00 0.00 O ATOM 2063 CB VAL A 135 1.784 0.592 2.778 1.00 0.00 C ATOM 2064 CG1 VAL A 135 0.350 0.863 2.298 1.00 0.00 C ATOM 2065 CG2 VAL A 135 1.685 -0.358 3.999 1.00 0.00 C ATOM 0 H VAL A 135 4.299 0.477 2.857 1.00 0.00 H new ATOM 0 HA VAL A 135 2.194 -0.909 1.337 1.00 0.00 H new ATOM 0 HB VAL A 135 2.271 1.522 3.071 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -0.240 1.265 3.122 1.00 0.00 H new ATOM 0 HG12 VAL A 135 0.370 1.584 1.481 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -0.099 -0.067 1.950 1.00 0.00 H new ATOM 0 HG21 VAL A 135 1.049 0.093 4.761 1.00 0.00 H new ATOM 0 HG22 VAL A 135 1.256 -1.310 3.686 1.00 0.00 H new ATOM 0 HG23 VAL A 135 2.680 -0.526 4.411 1.00 0.00 H new ATOM 2075 N GLY A 136 3.479 2.059 0.492 1.00 0.00 N ATOM 2076 CA GLY A 136 3.663 3.028 -0.582 1.00 0.00 C ATOM 2077 C GLY A 136 4.215 2.395 -1.858 1.00 0.00 C ATOM 2078 O GLY A 136 3.778 2.755 -2.948 1.00 0.00 O ATOM 0 H GLY A 136 3.952 2.336 1.352 1.00 0.00 H new ATOM 0 HA2 GLY A 136 2.709 3.506 -0.802 1.00 0.00 H new ATOM 0 HA3 GLY A 136 4.342 3.812 -0.247 1.00 0.00 H new ATOM 2082 N GLU A 137 5.143 1.446 -1.746 1.00 0.00 N ATOM 2083 CA GLU A 137 5.825 0.870 -2.894 1.00 0.00 C ATOM 2084 C GLU A 137 4.940 -0.146 -3.612 1.00 0.00 C ATOM 2085 O GLU A 137 4.868 -0.107 -4.830 1.00 0.00 O ATOM 2086 CB GLU A 137 7.161 0.248 -2.476 1.00 0.00 C ATOM 2087 CG GLU A 137 8.147 1.323 -1.963 1.00 0.00 C ATOM 2088 CD GLU A 137 9.589 0.842 -1.864 1.00 0.00 C ATOM 2089 OE1 GLU A 137 9.817 -0.143 -1.131 1.00 0.00 O ATOM 2090 OE2 GLU A 137 10.500 1.532 -2.376 1.00 0.00 O ATOM 0 H GLU A 137 5.441 1.057 -0.852 1.00 0.00 H new ATOM 0 HA GLU A 137 6.035 1.674 -3.599 1.00 0.00 H new ATOM 0 HB2 GLU A 137 6.991 -0.494 -1.696 1.00 0.00 H new ATOM 0 HB3 GLU A 137 7.601 -0.277 -3.324 1.00 0.00 H new ATOM 0 HG2 GLU A 137 8.107 2.185 -2.628 1.00 0.00 H new ATOM 0 HG3 GLU A 137 7.820 1.663 -0.980 1.00 0.00 H new ATOM 2097 N ILE A 138 4.217 -1.026 -2.906 1.00 0.00 N ATOM 2098 CA ILE A 138 3.350 -1.967 -3.622 1.00 0.00 C ATOM 2099 C ILE A 138 2.212 -1.218 -4.325 1.00 0.00 C ATOM 2100 O ILE A 138 1.787 -1.609 -5.408 1.00 0.00 O ATOM 2101 CB ILE A 138 2.869 -3.119 -2.712 1.00 0.00 C ATOM 2102 CG1 ILE A 138 1.996 -4.154 -3.463 1.00 0.00 C ATOM 2103 CG2 ILE A 138 2.168 -2.621 -1.430 1.00 0.00 C ATOM 2104 CD1 ILE A 138 1.805 -5.512 -2.753 1.00 0.00 C ATOM 0 H ILE A 138 4.212 -1.106 -1.889 1.00 0.00 H new ATOM 0 HA ILE A 138 3.934 -2.453 -4.404 1.00 0.00 H new ATOM 0 HB ILE A 138 3.778 -3.633 -2.399 1.00 0.00 H new ATOM 0 HG12 ILE A 138 1.014 -3.715 -3.637 1.00 0.00 H new ATOM 0 HG13 ILE A 138 2.442 -4.336 -4.441 1.00 0.00 H new ATOM 0 HG21 ILE A 138 1.853 -3.476 -0.832 1.00 0.00 H new ATOM 0 HG22 ILE A 138 2.860 -2.009 -0.851 1.00 0.00 H new ATOM 0 HG23 ILE A 138 1.296 -2.026 -1.700 1.00 0.00 H new ATOM 0 HD11 ILE A 138 1.178 -6.159 -3.367 1.00 0.00 H new ATOM 0 HD12 ILE A 138 2.776 -5.984 -2.603 1.00 0.00 H new ATOM 0 HD13 ILE A 138 1.326 -5.353 -1.787 1.00 0.00 H new ATOM 2116 N LEU A 139 1.738 -0.115 -3.738 1.00 0.00 N ATOM 2117 CA LEU A 139 0.771 0.774 -4.370 1.00 0.00 C ATOM 2118 C LEU A 139 1.354 1.465 -5.592 1.00 0.00 C ATOM 2119 O LEU A 139 0.650 1.770 -6.538 1.00 0.00 O ATOM 2120 CB LEU A 139 0.369 1.870 -3.395 1.00 0.00 C ATOM 2121 CG LEU A 139 -0.462 1.377 -2.200 1.00 0.00 C ATOM 2122 CD1 LEU A 139 -0.667 2.510 -1.200 1.00 0.00 C ATOM 2123 CD2 LEU A 139 -1.825 0.838 -2.614 1.00 0.00 C ATOM 0 H LEU A 139 2.019 0.184 -2.804 1.00 0.00 H new ATOM 0 HA LEU A 139 -0.080 0.159 -4.664 1.00 0.00 H new ATOM 0 HB2 LEU A 139 1.270 2.356 -3.021 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -0.202 2.627 -3.932 1.00 0.00 H new ATOM 0 HG LEU A 139 0.100 0.560 -1.747 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -1.257 2.149 -0.357 1.00 0.00 H new ATOM 0 HD12 LEU A 139 0.302 2.859 -0.842 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -1.192 3.333 -1.685 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -2.368 0.504 -1.730 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -2.391 1.625 -3.112 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -1.692 -0.001 -3.297 1.00 0.00 H new ATOM 2135 N ALA A 140 2.631 1.790 -5.560 1.00 0.00 N ATOM 2136 CA ALA A 140 3.315 2.271 -6.749 1.00 0.00 C ATOM 2137 C ALA A 140 3.246 1.285 -7.934 1.00 0.00 C ATOM 2138 O ALA A 140 3.532 1.714 -9.047 1.00 0.00 O ATOM 2139 CB ALA A 140 4.759 2.657 -6.420 1.00 0.00 C ATOM 0 H ALA A 140 3.217 1.731 -4.727 1.00 0.00 H new ATOM 0 HA ALA A 140 2.783 3.163 -7.078 1.00 0.00 H new ATOM 0 HB1 ALA A 140 5.255 3.015 -7.323 1.00 0.00 H new ATOM 0 HB2 ALA A 140 4.762 3.446 -5.667 1.00 0.00 H new ATOM 0 HB3 ALA A 140 5.290 1.786 -6.035 1.00 0.00 H new ATOM 2145 N GLU A 141 2.888 0.008 -7.769 1.00 0.00 N ATOM 2146 CA GLU A 141 3.035 -1.004 -8.815 1.00 0.00 C ATOM 2147 C GLU A 141 1.740 -1.751 -9.158 1.00 0.00 C ATOM 2148 O GLU A 141 1.410 -1.891 -10.338 1.00 0.00 O ATOM 2149 CB GLU A 141 4.175 -1.947 -8.392 1.00 0.00 C ATOM 2150 CG GLU A 141 5.522 -1.383 -8.860 1.00 0.00 C ATOM 2151 CD GLU A 141 6.675 -1.471 -7.872 1.00 0.00 C ATOM 2152 OE1 GLU A 141 7.389 -2.492 -7.894 1.00 0.00 O ATOM 2153 OE2 GLU A 141 7.038 -0.407 -7.318 1.00 0.00 O ATOM 0 H GLU A 141 2.487 -0.352 -6.903 1.00 0.00 H new ATOM 0 HA GLU A 141 3.284 -0.505 -9.752 1.00 0.00 H new ATOM 0 HB2 GLU A 141 4.177 -2.065 -7.308 1.00 0.00 H new ATOM 0 HB3 GLU A 141 4.017 -2.937 -8.820 1.00 0.00 H new ATOM 0 HG2 GLU A 141 5.813 -1.906 -9.771 1.00 0.00 H new ATOM 0 HG3 GLU A 141 5.379 -0.335 -9.126 1.00 0.00 H new ATOM 2160 N VAL A 142 1.032 -2.266 -8.157 1.00 0.00 N ATOM 2161 CA VAL A 142 -0.024 -3.261 -8.338 1.00 0.00 C ATOM 2162 C VAL A 142 -1.244 -2.697 -9.086 1.00 0.00 C ATOM 2163 O VAL A 142 -1.939 -3.477 -9.781 1.00 0.00 O ATOM 2164 CB VAL A 142 -0.307 -3.869 -6.948 1.00 0.00 C ATOM 2165 CG1 VAL A 142 -1.723 -4.394 -6.752 1.00 0.00 C ATOM 2166 CG2 VAL A 142 0.698 -5.002 -6.687 1.00 0.00 C ATOM 0 H VAL A 142 1.177 -2.001 -7.183 1.00 0.00 H new ATOM 0 HA VAL A 142 0.290 -4.067 -9.002 1.00 0.00 H new ATOM 0 HB VAL A 142 -0.197 -3.053 -6.234 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -1.824 -4.801 -5.746 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -2.435 -3.580 -6.887 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -1.925 -5.178 -7.482 1.00 0.00 H new ATOM 0 HG21 VAL A 142 0.507 -5.439 -5.707 1.00 0.00 H new ATOM 0 HG22 VAL A 142 0.589 -5.769 -7.454 1.00 0.00 H new ATOM 0 HG23 VAL A 142 1.712 -4.603 -6.715 1.00 0.00 H new TER 2176 VAL A 142