USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 710 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 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl -157:sc= -0.0325 (180deg=-0.257) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN :FLIP amide:sc= 0 F(o=-0.89,f=0) USER MOD Single : A 18 LYS NZ :NH3+ -124:sc= 0 (180deg=-1.75) USER MOD Single : A 20 SER OG : rot -164:sc= -1.02 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN :FLIP amide:sc= -3.93! C(o=-5.5!,f=-3.9!) USER MOD Single : A 30 ASN : amide:sc= -1.58 K(o=-1.6,f=-4.4!) USER MOD Single : A 31 HIS : no HD1:sc= -2.67! C(o=-2.7!,f=-4.5!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl 132:sc= -0.774 (180deg=-2.6!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.107 K(o=-0.11,f=-0.75) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN :FLIP amide:sc= -0.697 F(o=-1.4,f=-0.7) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.721 K(o=-0.72,f=-1.6) USER MOD Single : A 53 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0555) USER MOD Single : A 55 HIS : no HE2:sc= -4.6! C(o=-4.6!,f=-5.8!) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.0623 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0167) USER MOD Single : A 63 GLN : amide:sc= -0.858 X(o=-0.86,f=-0.64) USER MOD Single : A 64 GLN : amide:sc= 0.426 K(o=0.43,f=-1.5) USER MOD Single : A 66 GLN :FLIP amide:sc= -0.179 F(o=-0.72,f=-0.18) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS :FLIP no HD1:sc= -5.04! C(o=-6!,f=-5!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 121:sc= 1.35 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -13.204 -4.472 -7.141 1.00 0.00 N ATOM 60 CA GLY A 7 -12.600 -5.679 -6.606 1.00 0.00 C ATOM 61 C GLY A 7 -11.223 -5.384 -6.006 1.00 0.00 C ATOM 62 O GLY A 7 -11.122 -4.943 -4.862 1.00 0.00 O ATOM 0 HA2 GLY A 7 -13.249 -6.107 -5.842 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.504 -6.423 -7.397 1.00 0.00 H new ATOM 66 N PRO A 8 -10.171 -5.647 -6.827 1.00 0.00 N ATOM 67 CA PRO A 8 -8.805 -5.414 -6.389 1.00 0.00 C ATOM 68 C PRO A 8 -8.476 -3.919 -6.388 1.00 0.00 C ATOM 69 O PRO A 8 -8.926 -3.181 -7.264 1.00 0.00 O ATOM 70 CB PRO A 8 -7.942 -6.211 -7.354 1.00 0.00 C ATOM 71 CG PRO A 8 -8.815 -6.482 -8.568 1.00 0.00 C ATOM 72 CD PRO A 8 -10.253 -6.170 -8.187 1.00 0.00 C ATOM 0 HA PRO A 8 -8.632 -5.735 -5.362 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.049 -5.652 -7.632 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -7.606 -7.143 -6.899 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -8.501 -5.865 -9.410 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -8.720 -7.521 -8.882 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -10.693 -5.440 -8.866 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -10.877 -7.063 -8.231 1.00 0.00 H new ATOM 80 N LYS A 9 -7.696 -3.518 -5.396 1.00 0.00 N ATOM 81 CA LYS A 9 -7.302 -2.125 -5.270 1.00 0.00 C ATOM 82 C LYS A 9 -5.788 -2.008 -5.460 1.00 0.00 C ATOM 83 O LYS A 9 -5.068 -3.000 -5.359 1.00 0.00 O ATOM 84 CB LYS A 9 -7.802 -1.545 -3.945 1.00 0.00 C ATOM 85 CG LYS A 9 -6.833 -1.866 -2.806 1.00 0.00 C ATOM 86 CD LYS A 9 -6.171 -0.593 -2.274 1.00 0.00 C ATOM 87 CE LYS A 9 -4.860 -0.916 -1.555 1.00 0.00 C ATOM 88 NZ LYS A 9 -5.126 -1.394 -0.180 1.00 0.00 N ATOM 0 H LYS A 9 -7.326 -4.133 -4.671 1.00 0.00 H new ATOM 0 HA LYS A 9 -7.769 -1.525 -6.051 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.916 -0.465 -4.037 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.787 -1.951 -3.715 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -7.368 -2.367 -1.999 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -6.068 -2.558 -3.159 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -5.978 0.093 -3.099 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -6.850 -0.085 -1.589 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.312 -1.677 -2.111 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.229 -0.028 -1.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.225 -1.609 0.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.630 -0.656 0.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.710 -2.254 -0.218 1.00 0.00 H new ATOM 102 N LYS A 10 -5.351 -0.787 -5.732 1.00 0.00 N ATOM 103 CA LYS A 10 -3.936 -0.528 -5.938 1.00 0.00 C ATOM 104 C LYS A 10 -3.204 -0.630 -4.598 1.00 0.00 C ATOM 105 O LYS A 10 -3.425 0.184 -3.702 1.00 0.00 O ATOM 106 CB LYS A 10 -3.735 0.812 -6.649 1.00 0.00 C ATOM 107 CG LYS A 10 -2.369 0.868 -7.335 1.00 0.00 C ATOM 108 CD LYS A 10 -2.502 1.346 -8.783 1.00 0.00 C ATOM 109 CE LYS A 10 -1.896 0.330 -9.753 1.00 0.00 C ATOM 110 NZ LYS A 10 -1.594 0.971 -11.053 1.00 0.00 N ATOM 0 H LYS A 10 -5.951 0.033 -5.814 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.502 -1.280 -6.597 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.523 0.958 -7.388 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.818 1.626 -5.929 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.709 1.540 -6.786 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.907 -0.119 -7.315 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.554 1.501 -9.023 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.003 2.308 -8.900 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.985 -0.089 -9.327 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.589 -0.498 -9.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.183 0.268 -11.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.470 1.350 -11.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.916 1.746 -10.909 1.00 0.00 H new ATOM 124 N PRO A 11 -2.323 -1.662 -4.501 1.00 0.00 N ATOM 125 CA PRO A 11 -1.557 -1.880 -3.286 1.00 0.00 C ATOM 126 C PRO A 11 -0.426 -0.858 -3.160 1.00 0.00 C ATOM 127 O PRO A 11 -0.183 -0.079 -4.081 1.00 0.00 O ATOM 128 CB PRO A 11 -1.056 -3.311 -3.389 1.00 0.00 C ATOM 129 CG PRO A 11 -1.166 -3.687 -4.858 1.00 0.00 C ATOM 130 CD PRO A 11 -2.035 -2.644 -5.542 1.00 0.00 C ATOM 0 HA PRO A 11 -2.152 -1.744 -2.383 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -0.026 -3.390 -3.042 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.653 -3.979 -2.769 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.178 -3.722 -5.318 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.604 -4.679 -4.966 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.516 -2.187 -6.385 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -2.951 -3.087 -5.933 1.00 0.00 H new ATOM 138 N PRO A 12 0.254 -0.895 -1.983 1.00 0.00 N ATOM 139 CA PRO A 12 1.354 0.019 -1.725 1.00 0.00 C ATOM 140 C PRO A 12 2.606 -0.397 -2.500 1.00 0.00 C ATOM 141 O PRO A 12 2.531 -1.221 -3.410 1.00 0.00 O ATOM 142 CB PRO A 12 1.550 -0.017 -0.218 1.00 0.00 C ATOM 143 CG PRO A 12 0.870 -1.290 0.261 1.00 0.00 C ATOM 144 CD PRO A 12 -0.006 -1.804 -0.870 1.00 0.00 C ATOM 0 HA PRO A 12 1.145 1.034 -2.062 1.00 0.00 H new ATOM 0 HB2 PRO A 12 2.610 -0.020 0.038 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.111 0.862 0.254 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.612 -2.038 0.539 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.270 -1.091 1.149 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.247 -2.832 -1.131 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.059 -1.796 -0.590 1.00 0.00 H new ATOM 152 N MET A 13 3.727 0.192 -2.111 1.00 0.00 N ATOM 153 CA MET A 13 4.993 -0.107 -2.759 1.00 0.00 C ATOM 154 C MET A 13 6.099 -0.328 -1.724 1.00 0.00 C ATOM 155 O MET A 13 6.567 -1.451 -1.542 1.00 0.00 O ATOM 156 CB MET A 13 5.381 1.051 -3.681 1.00 0.00 C ATOM 157 CG MET A 13 4.546 1.033 -4.963 1.00 0.00 C ATOM 158 SD MET A 13 5.576 0.602 -6.356 1.00 0.00 S ATOM 159 CE MET A 13 6.554 2.089 -6.490 1.00 0.00 C ATOM 0 H MET A 13 3.785 0.875 -1.355 1.00 0.00 H new ATOM 0 HA MET A 13 4.876 -1.022 -3.340 1.00 0.00 H new ATOM 0 HB2 MET A 13 5.237 1.998 -3.162 1.00 0.00 H new ATOM 0 HB3 MET A 13 6.440 0.983 -3.931 1.00 0.00 H new ATOM 0 HG2 MET A 13 3.732 0.315 -4.866 1.00 0.00 H new ATOM 0 HG3 MET A 13 4.092 2.011 -5.125 1.00 0.00 H new ATOM 0 HE1 MET A 13 6.944 2.178 -7.504 1.00 0.00 H new ATOM 0 HE2 MET A 13 5.932 2.955 -6.263 1.00 0.00 H new ATOM 0 HE3 MET A 13 7.384 2.043 -5.785 1.00 0.00 H new ATOM 169 N ASN A 14 6.484 0.760 -1.075 1.00 0.00 N ATOM 170 CA ASN A 14 7.526 0.699 -0.064 1.00 0.00 C ATOM 171 C ASN A 14 6.917 0.243 1.263 1.00 0.00 C ATOM 172 O ASN A 14 5.696 0.211 1.411 1.00 0.00 O ATOM 173 CB ASN A 14 8.162 2.073 0.155 1.00 0.00 C ATOM 174 CG ASN A 14 8.853 2.567 -1.117 1.00 0.00 C ATOM 175 OD1 ASN A 14 9.871 2.047 -1.544 1.00 0.00 O ATOM 176 ND2 ASN A 14 8.246 3.598 -1.698 1.00 0.00 N ATOM 0 H ASN A 14 6.093 1.689 -1.229 1.00 0.00 H new ATOM 0 HA ASN A 14 8.288 -0.001 -0.407 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.397 2.788 0.458 1.00 0.00 H new ATOM 0 HB3 ASN A 14 8.886 2.017 0.968 1.00 0.00 H new ATOM 0 HD21 ASN A 14 8.630 4.000 -2.553 1.00 0.00 H new ATOM 0 HD22 ASN A 14 7.396 3.986 -1.289 1.00 0.00 H new ATOM 183 N GLY A 15 7.795 -0.099 2.194 1.00 0.00 N ATOM 184 CA GLY A 15 7.359 -0.552 3.504 1.00 0.00 C ATOM 185 C GLY A 15 6.586 0.548 4.235 1.00 0.00 C ATOM 186 O GLY A 15 5.694 0.260 5.031 1.00 0.00 O ATOM 0 H GLY A 15 8.807 -0.072 2.067 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.728 -1.435 3.396 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.224 -0.849 4.097 1.00 0.00 H new ATOM 190 N TYR A 16 6.958 1.785 3.939 1.00 0.00 N ATOM 191 CA TYR A 16 6.311 2.929 4.559 1.00 0.00 C ATOM 192 C TYR A 16 4.837 3.011 4.154 1.00 0.00 C ATOM 193 O TYR A 16 3.950 2.832 4.988 1.00 0.00 O ATOM 194 CB TYR A 16 7.042 4.164 4.030 1.00 0.00 C ATOM 195 CG TYR A 16 6.475 5.490 4.542 1.00 0.00 C ATOM 196 CD1 TYR A 16 6.202 5.651 5.885 1.00 0.00 C ATOM 197 CD2 TYR A 16 6.236 6.524 3.661 1.00 0.00 C ATOM 198 CE1 TYR A 16 5.668 6.898 6.367 1.00 0.00 C ATOM 199 CE2 TYR A 16 5.702 7.772 4.143 1.00 0.00 C ATOM 200 CZ TYR A 16 5.445 7.897 5.472 1.00 0.00 C ATOM 201 OH TYR A 16 4.940 9.076 5.927 1.00 0.00 O ATOM 0 H TYR A 16 7.699 2.020 3.278 1.00 0.00 H new ATOM 0 HA TYR A 16 6.353 2.852 5.645 1.00 0.00 H new ATOM 0 HB2 TYR A 16 8.094 4.098 4.309 1.00 0.00 H new ATOM 0 HB3 TYR A 16 7.000 4.159 2.941 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.389 4.841 6.575 1.00 0.00 H new ATOM 0 HD2 TYR A 16 6.449 6.398 2.610 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.450 7.037 7.416 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.510 8.590 3.464 1.00 0.00 H new ATOM 0 HH TYR A 16 4.833 9.697 5.177 1.00 0.00 H new ATOM 211 N GLN A 17 4.622 3.282 2.875 1.00 0.00 N ATOM 212 CA GLN A 17 3.272 3.390 2.350 1.00 0.00 C ATOM 213 C GLN A 17 2.386 2.287 2.934 1.00 0.00 C ATOM 214 O GLN A 17 1.182 2.476 3.100 1.00 0.00 O ATOM 215 CB GLN A 17 3.272 3.341 0.821 1.00 0.00 C ATOM 216 CG GLN A 17 3.851 4.629 0.232 1.00 0.00 C ATOM 217 CD GLN A 17 3.534 4.740 -1.261 1.00 0.00 C ATOM 218 OE1 GLN A 17 3.634 3.590 -1.922 1.00 0.00 O flip ATOM 219 NE2 GLN A 17 3.220 5.799 -1.778 1.00 0.00 N flip ATOM 0 H GLN A 17 5.360 3.430 2.187 1.00 0.00 H new ATOM 0 HA GLN A 17 2.863 4.355 2.649 1.00 0.00 H new ATOM 0 HB2 GLN A 17 3.857 2.486 0.481 1.00 0.00 H new ATOM 0 HB3 GLN A 17 2.254 3.196 0.458 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.441 5.491 0.759 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.931 4.648 0.381 1.00 0.00 H new ATOM 0 HE21 GLN A 17 3.162 6.646 -1.212 1.00 0.00 H new ATOM 0 HE22 GLN A 17 3.015 5.838 -2.776 1.00 0.00 H new ATOM 228 N LYS A 18 3.016 1.159 3.228 1.00 0.00 N ATOM 229 CA LYS A 18 2.300 0.027 3.789 1.00 0.00 C ATOM 230 C LYS A 18 1.920 0.336 5.239 1.00 0.00 C ATOM 231 O LYS A 18 0.738 0.433 5.567 1.00 0.00 O ATOM 232 CB LYS A 18 3.117 -1.257 3.628 1.00 0.00 C ATOM 233 CG LYS A 18 2.461 -2.422 4.372 1.00 0.00 C ATOM 234 CD LYS A 18 1.825 -3.410 3.391 1.00 0.00 C ATOM 235 CE LYS A 18 0.648 -4.143 4.037 1.00 0.00 C ATOM 236 NZ LYS A 18 0.376 -5.413 3.327 1.00 0.00 N ATOM 0 H LYS A 18 4.015 1.005 3.088 1.00 0.00 H new ATOM 0 HA LYS A 18 1.371 -0.143 3.245 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.210 -1.503 2.570 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.126 -1.100 4.009 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.206 -2.936 4.980 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.701 -2.041 5.054 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.483 -2.878 2.503 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.572 -4.133 3.062 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.869 -4.345 5.085 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.239 -3.510 4.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.614 -5.428 3.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.005 -5.492 2.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.546 -6.213 3.969 1.00 0.00 H new ATOM 250 N PHE A 19 2.944 0.482 6.067 1.00 0.00 N ATOM 251 CA PHE A 19 2.732 0.778 7.473 1.00 0.00 C ATOM 252 C PHE A 19 1.783 1.966 7.647 1.00 0.00 C ATOM 253 O PHE A 19 0.852 1.910 8.449 1.00 0.00 O ATOM 254 CB PHE A 19 4.096 1.140 8.065 1.00 0.00 C ATOM 255 CG PHE A 19 4.025 2.111 9.245 1.00 0.00 C ATOM 256 CD1 PHE A 19 3.675 1.659 10.478 1.00 0.00 C ATOM 257 CD2 PHE A 19 4.312 3.428 9.059 1.00 0.00 C ATOM 258 CE1 PHE A 19 3.609 2.560 11.573 1.00 0.00 C ATOM 259 CE2 PHE A 19 4.246 4.330 10.154 1.00 0.00 C ATOM 260 CZ PHE A 19 3.896 3.877 11.388 1.00 0.00 C ATOM 0 H PHE A 19 3.923 0.401 5.791 1.00 0.00 H new ATOM 0 HA PHE A 19 2.288 -0.084 7.971 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.594 0.226 8.389 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.715 1.580 7.283 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.447 0.614 10.625 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.590 3.787 8.079 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.331 2.200 12.553 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.474 5.375 10.007 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.846 4.563 12.221 1.00 0.00 H new ATOM 270 N SER A 20 2.052 3.014 6.882 1.00 0.00 N ATOM 271 CA SER A 20 1.234 4.213 6.941 1.00 0.00 C ATOM 272 C SER A 20 -0.240 3.851 6.745 1.00 0.00 C ATOM 273 O SER A 20 -1.087 4.225 7.555 1.00 0.00 O ATOM 274 CB SER A 20 1.674 5.232 5.888 1.00 0.00 C ATOM 275 OG SER A 20 3.005 5.691 6.112 1.00 0.00 O ATOM 0 H SER A 20 2.825 3.057 6.218 1.00 0.00 H new ATOM 0 HA SER A 20 1.363 4.667 7.924 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.608 4.781 4.898 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.991 6.081 5.898 1.00 0.00 H new ATOM 0 HG SER A 20 3.163 6.504 5.588 1.00 0.00 H new ATOM 281 N GLN A 21 -0.501 3.128 5.666 1.00 0.00 N ATOM 282 CA GLN A 21 -1.857 2.712 5.355 1.00 0.00 C ATOM 283 C GLN A 21 -2.515 2.083 6.584 1.00 0.00 C ATOM 284 O GLN A 21 -3.724 2.203 6.776 1.00 0.00 O ATOM 285 CB GLN A 21 -1.876 1.746 4.168 1.00 0.00 C ATOM 286 CG GLN A 21 -2.361 2.447 2.898 1.00 0.00 C ATOM 287 CD GLN A 21 -3.155 1.486 2.011 1.00 0.00 C ATOM 288 OE1 GLN A 21 -2.606 0.713 1.242 1.00 0.00 O ATOM 289 NE2 GLN A 21 -4.473 1.577 2.159 1.00 0.00 N ATOM 0 H GLN A 21 0.204 2.820 4.996 1.00 0.00 H new ATOM 0 HA GLN A 21 -2.431 3.595 5.072 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -0.876 1.344 4.006 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -2.527 0.901 4.393 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -2.984 3.300 3.165 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -1.507 2.837 2.345 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -4.867 2.246 2.821 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -5.090 0.978 1.611 1.00 0.00 H new ATOM 298 N GLU A 22 -1.690 1.425 7.386 1.00 0.00 N ATOM 299 CA GLU A 22 -2.177 0.776 8.591 1.00 0.00 C ATOM 300 C GLU A 22 -2.741 1.816 9.562 1.00 0.00 C ATOM 301 O GLU A 22 -3.788 1.598 10.170 1.00 0.00 O ATOM 302 CB GLU A 22 -1.073 -0.050 9.253 1.00 0.00 C ATOM 303 CG GLU A 22 -1.613 -1.395 9.743 1.00 0.00 C ATOM 304 CD GLU A 22 -1.257 -1.627 11.213 1.00 0.00 C ATOM 305 OE1 GLU A 22 -0.090 -1.350 11.565 1.00 0.00 O ATOM 306 OE2 GLU A 22 -2.160 -2.075 11.952 1.00 0.00 O ATOM 0 H GLU A 22 -0.688 1.328 7.224 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.980 0.093 8.314 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.263 -0.216 8.543 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.653 0.504 10.092 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.696 -1.423 9.619 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.201 -2.200 9.134 1.00 0.00 H new ATOM 313 N LEU A 23 -2.022 2.922 9.678 1.00 0.00 N ATOM 314 CA LEU A 23 -2.438 3.996 10.564 1.00 0.00 C ATOM 315 C LEU A 23 -3.651 4.708 9.962 1.00 0.00 C ATOM 316 O LEU A 23 -4.501 5.217 10.691 1.00 0.00 O ATOM 317 CB LEU A 23 -1.263 4.929 10.863 1.00 0.00 C ATOM 318 CG LEU A 23 -0.110 4.321 11.664 1.00 0.00 C ATOM 319 CD1 LEU A 23 1.241 4.813 11.141 1.00 0.00 C ATOM 320 CD2 LEU A 23 -0.278 4.592 13.160 1.00 0.00 C ATOM 0 H LEU A 23 -1.153 3.098 9.173 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.750 3.595 11.528 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.867 5.297 9.916 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.641 5.794 11.408 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.134 3.240 11.528 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.043 4.366 11.728 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.353 4.526 10.095 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.291 5.898 11.227 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.555 4.149 13.706 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.296 5.668 13.335 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.213 4.153 13.507 1.00 0.00 H new ATOM 332 N LEU A 24 -3.693 4.720 8.638 1.00 0.00 N ATOM 333 CA LEU A 24 -4.788 5.361 7.930 1.00 0.00 C ATOM 334 C LEU A 24 -6.043 4.496 8.051 1.00 0.00 C ATOM 335 O LEU A 24 -7.161 5.006 7.987 1.00 0.00 O ATOM 336 CB LEU A 24 -4.387 5.664 6.485 1.00 0.00 C ATOM 337 CG LEU A 24 -3.312 6.737 6.298 1.00 0.00 C ATOM 338 CD1 LEU A 24 -3.206 7.158 4.831 1.00 0.00 C ATOM 339 CD2 LEU A 24 -3.564 7.932 7.220 1.00 0.00 C ATOM 0 H LEU A 24 -2.986 4.296 8.037 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.021 6.326 8.381 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.034 4.741 6.026 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.278 5.972 5.938 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.350 6.309 6.580 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.435 7.921 4.726 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.945 6.292 4.222 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.163 7.561 4.498 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.786 8.680 7.067 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.537 8.368 6.992 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.549 7.600 8.258 1.00 0.00 H new ATOM 351 N SER A 25 -5.817 3.202 8.224 1.00 0.00 N ATOM 352 CA SER A 25 -6.917 2.261 8.354 1.00 0.00 C ATOM 353 C SER A 25 -7.217 2.009 9.833 1.00 0.00 C ATOM 354 O SER A 25 -8.318 1.586 10.183 1.00 0.00 O ATOM 355 CB SER A 25 -6.601 0.943 7.645 1.00 0.00 C ATOM 356 OG SER A 25 -7.682 0.019 7.729 1.00 0.00 O ATOM 0 H SER A 25 -4.889 2.783 8.277 1.00 0.00 H new ATOM 0 HA SER A 25 -7.797 2.696 7.880 1.00 0.00 H new ATOM 0 HB2 SER A 25 -6.373 1.140 6.597 1.00 0.00 H new ATOM 0 HB3 SER A 25 -5.709 0.499 8.087 1.00 0.00 H new ATOM 0 HG SER A 25 -7.442 -0.809 7.263 1.00 0.00 H new ATOM 362 N ASN A 26 -6.220 2.281 10.661 1.00 0.00 N ATOM 363 CA ASN A 26 -6.363 2.089 12.094 1.00 0.00 C ATOM 364 C ASN A 26 -7.212 3.223 12.674 1.00 0.00 C ATOM 365 O ASN A 26 -8.279 2.980 13.234 1.00 0.00 O ATOM 366 CB ASN A 26 -5.002 2.113 12.793 1.00 0.00 C ATOM 367 CG ASN A 26 -4.255 0.795 12.583 1.00 0.00 C ATOM 368 OD1 ASN A 26 -2.943 0.937 12.418 1.00 0.00 O flip ATOM 369 ND2 ASN A 26 -4.831 -0.281 12.572 1.00 0.00 N flip ATOM 0 H ASN A 26 -5.309 2.633 10.367 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.835 1.120 12.258 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -4.405 2.939 12.406 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.140 2.291 13.859 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -5.842 -0.320 12.705 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.302 -1.141 12.430 1.00 0.00 H new ATOM 376 N GLY A 27 -6.705 4.437 12.519 1.00 0.00 N ATOM 377 CA GLY A 27 -7.403 5.609 13.020 1.00 0.00 C ATOM 378 C GLY A 27 -6.761 6.119 14.311 1.00 0.00 C ATOM 379 O GLY A 27 -7.414 6.789 15.110 1.00 0.00 O ATOM 0 H GLY A 27 -5.819 4.635 12.054 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.387 6.396 12.266 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.449 5.363 13.202 1.00 0.00 H new ATOM 383 N GLU A 28 -5.490 5.783 14.476 1.00 0.00 N ATOM 384 CA GLU A 28 -4.753 6.198 15.657 1.00 0.00 C ATOM 385 C GLU A 28 -4.450 7.697 15.594 1.00 0.00 C ATOM 386 O GLU A 28 -4.202 8.327 16.620 1.00 0.00 O ATOM 387 CB GLU A 28 -3.467 5.385 15.815 1.00 0.00 C ATOM 388 CG GLU A 28 -3.626 3.986 15.216 1.00 0.00 C ATOM 389 CD GLU A 28 -2.800 2.960 15.994 1.00 0.00 C ATOM 390 OE1 GLU A 28 -1.562 3.132 16.023 1.00 0.00 O ATOM 391 OE2 GLU A 28 -3.425 2.027 16.543 1.00 0.00 O ATOM 0 H GLU A 28 -4.952 5.228 13.811 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.373 6.009 16.533 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.643 5.903 15.325 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.210 5.305 16.871 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.677 3.698 15.230 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.312 3.995 14.172 1.00 0.00 H new ATOM 398 N LEU A 29 -4.481 8.223 14.378 1.00 0.00 N ATOM 399 CA LEU A 29 -4.213 9.636 14.167 1.00 0.00 C ATOM 400 C LEU A 29 -5.377 10.262 13.399 1.00 0.00 C ATOM 401 O LEU A 29 -5.174 11.148 12.570 1.00 0.00 O ATOM 402 CB LEU A 29 -2.854 9.828 13.490 1.00 0.00 C ATOM 403 CG LEU A 29 -1.910 8.625 13.526 1.00 0.00 C ATOM 404 CD1 LEU A 29 -0.949 8.646 12.337 1.00 0.00 C ATOM 405 CD2 LEU A 29 -1.168 8.551 14.862 1.00 0.00 C ATOM 0 H LEU A 29 -4.687 7.696 13.529 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.144 10.158 15.122 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.025 10.099 12.448 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.352 10.673 13.961 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.509 7.718 13.439 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.289 7.780 12.387 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.519 8.615 11.408 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.353 9.558 12.367 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.503 7.687 14.862 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.582 9.459 15.004 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.889 8.454 15.674 1.00 0.00 H new ATOM 417 N ASN A 30 -6.573 9.778 13.701 1.00 0.00 N ATOM 418 CA ASN A 30 -7.771 10.280 13.049 1.00 0.00 C ATOM 419 C ASN A 30 -8.264 11.526 13.786 1.00 0.00 C ATOM 420 O ASN A 30 -9.292 12.098 13.427 1.00 0.00 O ATOM 421 CB ASN A 30 -8.891 9.238 13.078 1.00 0.00 C ATOM 422 CG ASN A 30 -9.284 8.815 11.661 1.00 0.00 C ATOM 423 OD1 ASN A 30 -9.349 9.615 10.742 1.00 0.00 O ATOM 424 ND2 ASN A 30 -9.541 7.516 11.536 1.00 0.00 N ATOM 0 H ASN A 30 -6.738 9.043 14.389 1.00 0.00 H new ATOM 0 HA ASN A 30 -7.520 10.511 12.014 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -8.566 8.365 13.645 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -9.760 9.647 13.593 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -9.811 7.135 10.629 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -9.468 6.901 12.347 1.00 0.00 H new ATOM 431 N HIS A 31 -7.508 11.910 14.804 1.00 0.00 N ATOM 432 CA HIS A 31 -7.855 13.078 15.595 1.00 0.00 C ATOM 433 C HIS A 31 -7.387 14.344 14.874 1.00 0.00 C ATOM 434 O HIS A 31 -7.908 15.431 15.119 1.00 0.00 O ATOM 435 CB HIS A 31 -7.292 12.961 17.013 1.00 0.00 C ATOM 436 CG HIS A 31 -5.799 12.742 17.065 1.00 0.00 C ATOM 437 ND1 HIS A 31 -5.213 11.511 16.829 1.00 0.00 N ATOM 438 CD2 HIS A 31 -4.780 13.610 17.327 1.00 0.00 C ATOM 439 CE1 HIS A 31 -3.900 11.643 16.948 1.00 0.00 C ATOM 440 NE2 HIS A 31 -3.634 12.945 17.257 1.00 0.00 N ATOM 0 H HIS A 31 -6.656 11.433 15.099 1.00 0.00 H new ATOM 0 HA HIS A 31 -8.938 13.141 15.701 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -7.535 13.869 17.565 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -7.788 12.135 17.523 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -4.888 14.661 17.553 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -3.169 10.858 16.822 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -2.707 13.342 17.409 1.00 0.00 H new ATOM 448 N LEU A 32 -6.408 14.161 14.000 1.00 0.00 N ATOM 449 CA LEU A 32 -5.864 15.275 13.242 1.00 0.00 C ATOM 450 C LEU A 32 -6.196 15.088 11.760 1.00 0.00 C ATOM 451 O LEU A 32 -6.607 14.006 11.344 1.00 0.00 O ATOM 452 CB LEU A 32 -4.368 15.433 13.522 1.00 0.00 C ATOM 453 CG LEU A 32 -3.643 14.182 14.020 1.00 0.00 C ATOM 454 CD1 LEU A 32 -3.323 13.235 12.861 1.00 0.00 C ATOM 455 CD2 LEU A 32 -2.392 14.554 14.818 1.00 0.00 C ATOM 0 H LEU A 32 -5.978 13.258 13.800 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.325 16.212 13.557 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.881 15.771 12.607 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.239 16.223 14.262 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.310 13.648 14.697 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.808 12.354 13.243 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.249 12.931 12.373 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.684 13.745 12.140 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.895 13.646 15.160 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.712 15.123 14.184 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.676 15.159 15.679 1.00 0.00 H new ATOM 467 N PRO A 33 -6.000 16.188 10.984 1.00 0.00 N ATOM 468 CA PRO A 33 -6.274 16.155 9.558 1.00 0.00 C ATOM 469 C PRO A 33 -5.183 15.389 8.807 1.00 0.00 C ATOM 470 O PRO A 33 -4.064 15.255 9.298 1.00 0.00 O ATOM 471 CB PRO A 33 -6.368 17.614 9.142 1.00 0.00 C ATOM 472 CG PRO A 33 -5.686 18.407 10.246 1.00 0.00 C ATOM 473 CD PRO A 33 -5.514 17.486 11.443 1.00 0.00 C ATOM 0 HA PRO A 33 -7.196 15.626 9.319 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -5.878 17.779 8.183 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -7.407 17.921 9.026 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -4.719 18.778 9.908 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -6.284 19.277 10.517 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -4.471 17.431 11.754 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -6.084 17.841 12.301 1.00 0.00 H new ATOM 481 N LEU A 34 -5.549 14.906 7.628 1.00 0.00 N ATOM 482 CA LEU A 34 -4.615 14.156 6.805 1.00 0.00 C ATOM 483 C LEU A 34 -3.227 14.792 6.906 1.00 0.00 C ATOM 484 O LEU A 34 -2.260 14.125 7.270 1.00 0.00 O ATOM 485 CB LEU A 34 -5.137 14.043 5.371 1.00 0.00 C ATOM 486 CG LEU A 34 -4.309 13.172 4.423 1.00 0.00 C ATOM 487 CD1 LEU A 34 -2.857 13.650 4.367 1.00 0.00 C ATOM 488 CD2 LEU A 34 -4.413 11.694 4.806 1.00 0.00 C ATOM 0 H LEU A 34 -6.479 15.019 7.224 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.524 13.133 7.169 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.151 13.646 5.405 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.201 15.046 4.949 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.719 13.274 3.418 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.291 13.014 3.687 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.826 14.680 4.011 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.418 13.597 5.363 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.816 11.097 4.117 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.043 11.554 5.822 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.454 11.377 4.752 1.00 0.00 H new ATOM 500 N LYS A 35 -3.174 16.075 6.579 1.00 0.00 N ATOM 501 CA LYS A 35 -1.921 16.809 6.628 1.00 0.00 C ATOM 502 C LYS A 35 -1.090 16.310 7.812 1.00 0.00 C ATOM 503 O LYS A 35 -0.068 15.651 7.623 1.00 0.00 O ATOM 504 CB LYS A 35 -2.183 18.316 6.653 1.00 0.00 C ATOM 505 CG LYS A 35 -0.872 19.099 6.744 1.00 0.00 C ATOM 506 CD LYS A 35 -0.309 19.390 5.351 1.00 0.00 C ATOM 507 CE LYS A 35 0.768 18.371 4.972 1.00 0.00 C ATOM 508 NZ LYS A 35 0.508 17.819 3.624 1.00 0.00 N ATOM 0 H LYS A 35 -3.979 16.625 6.279 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.336 16.626 5.727 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.724 18.610 5.754 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.819 18.564 7.503 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.040 20.036 7.275 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.144 18.530 7.323 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.114 19.364 4.617 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.112 20.395 5.327 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.749 18.845 4.994 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.787 17.564 5.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.248 17.129 3.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.420 17.349 3.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.513 18.590 2.926 1.00 0.00 H new ATOM 522 N GLU A 36 -1.558 16.643 9.005 1.00 0.00 N ATOM 523 CA GLU A 36 -0.871 16.237 10.219 1.00 0.00 C ATOM 524 C GLU A 36 -0.574 14.737 10.185 1.00 0.00 C ATOM 525 O GLU A 36 0.561 14.320 10.407 1.00 0.00 O ATOM 526 CB GLU A 36 -1.685 16.607 11.461 1.00 0.00 C ATOM 527 CG GLU A 36 -1.371 18.033 11.918 1.00 0.00 C ATOM 528 CD GLU A 36 -1.586 18.185 13.425 1.00 0.00 C ATOM 529 OE1 GLU A 36 -0.733 17.664 14.175 1.00 0.00 O ATOM 530 OE2 GLU A 36 -2.598 18.820 13.793 1.00 0.00 O ATOM 0 H GLU A 36 -2.405 17.190 9.157 1.00 0.00 H new ATOM 0 HA GLU A 36 0.076 16.774 10.273 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.749 16.517 11.243 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.465 15.906 12.266 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.339 18.280 11.667 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.007 18.739 11.383 1.00 0.00 H new ATOM 537 N ARG A 37 -1.615 13.967 9.906 1.00 0.00 N ATOM 538 CA ARG A 37 -1.481 12.521 9.840 1.00 0.00 C ATOM 539 C ARG A 37 -0.168 12.141 9.151 1.00 0.00 C ATOM 540 O ARG A 37 0.735 11.598 9.786 1.00 0.00 O ATOM 541 CB ARG A 37 -2.649 11.894 9.077 1.00 0.00 C ATOM 542 CG ARG A 37 -3.580 11.137 10.026 1.00 0.00 C ATOM 543 CD ARG A 37 -4.813 10.616 9.284 1.00 0.00 C ATOM 544 NE ARG A 37 -6.033 11.267 9.811 1.00 0.00 N ATOM 545 CZ ARG A 37 -7.225 11.238 9.198 1.00 0.00 C ATOM 546 NH1 ARG A 37 -7.364 10.589 8.034 1.00 0.00 N ATOM 547 NH2 ARG A 37 -8.277 11.857 9.750 1.00 0.00 N ATOM 0 H ARG A 37 -2.555 14.317 9.723 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.483 12.141 10.861 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.208 12.672 8.557 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.267 11.213 8.316 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -3.044 10.303 10.479 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.891 11.795 10.838 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -4.717 10.815 8.217 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -4.888 9.535 9.401 1.00 0.00 H new ATOM 0 HE ARG A 37 -5.963 11.769 10.696 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -6.563 10.117 7.614 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -8.271 10.567 7.568 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -8.171 12.350 10.636 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -9.184 11.835 9.284 1.00 0.00 H new ATOM 561 N MET A 38 -0.104 12.443 7.863 1.00 0.00 N ATOM 562 CA MET A 38 1.083 12.139 7.082 1.00 0.00 C ATOM 563 C MET A 38 2.354 12.414 7.887 1.00 0.00 C ATOM 564 O MET A 38 3.361 11.727 7.719 1.00 0.00 O ATOM 565 CB MET A 38 1.090 12.992 5.811 1.00 0.00 C ATOM 566 CG MET A 38 0.257 12.336 4.707 1.00 0.00 C ATOM 567 SD MET A 38 1.264 11.191 3.780 1.00 0.00 S ATOM 568 CE MET A 38 0.864 9.671 4.626 1.00 0.00 C ATOM 0 H MET A 38 -0.854 12.895 7.341 1.00 0.00 H new ATOM 0 HA MET A 38 1.062 11.081 6.821 1.00 0.00 H new ATOM 0 HB2 MET A 38 0.693 13.983 6.031 1.00 0.00 H new ATOM 0 HB3 MET A 38 2.115 13.129 5.466 1.00 0.00 H new ATOM 0 HG2 MET A 38 -0.594 11.813 5.144 1.00 0.00 H new ATOM 0 HG3 MET A 38 -0.146 13.100 4.042 1.00 0.00 H new ATOM 0 HE1 MET A 38 0.625 8.899 3.894 1.00 0.00 H new ATOM 0 HE2 MET A 38 1.718 9.352 5.224 1.00 0.00 H new ATOM 0 HE3 MET A 38 0.005 9.832 5.277 1.00 0.00 H new ATOM 578 N VAL A 39 2.267 13.419 8.746 1.00 0.00 N ATOM 579 CA VAL A 39 3.398 13.793 9.578 1.00 0.00 C ATOM 580 C VAL A 39 3.527 12.798 10.733 1.00 0.00 C ATOM 581 O VAL A 39 4.544 12.119 10.861 1.00 0.00 O ATOM 582 CB VAL A 39 3.244 15.241 10.050 1.00 0.00 C ATOM 583 CG1 VAL A 39 4.608 15.869 10.343 1.00 0.00 C ATOM 584 CG2 VAL A 39 2.466 16.071 9.028 1.00 0.00 C ATOM 0 H VAL A 39 1.430 13.986 8.884 1.00 0.00 H new ATOM 0 HA VAL A 39 4.325 13.748 9.006 1.00 0.00 H new ATOM 0 HB VAL A 39 2.673 15.232 10.978 1.00 0.00 H new ATOM 0 HG11 VAL A 39 4.471 16.898 10.677 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.111 15.298 11.124 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.215 15.859 9.438 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.371 17.095 9.388 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.998 16.069 8.077 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.474 15.641 8.890 1.00 0.00 H new ATOM 594 N GLU A 40 2.481 12.744 11.544 1.00 0.00 N ATOM 595 CA GLU A 40 2.464 11.843 12.684 1.00 0.00 C ATOM 596 C GLU A 40 2.902 10.440 12.259 1.00 0.00 C ATOM 597 O GLU A 40 3.582 9.743 13.011 1.00 0.00 O ATOM 598 CB GLU A 40 1.081 11.811 13.337 1.00 0.00 C ATOM 599 CG GLU A 40 1.195 11.797 14.863 1.00 0.00 C ATOM 600 CD GLU A 40 1.966 13.019 15.366 1.00 0.00 C ATOM 601 OE1 GLU A 40 1.310 14.067 15.551 1.00 0.00 O ATOM 602 OE2 GLU A 40 3.193 12.878 15.554 1.00 0.00 O ATOM 0 H GLU A 40 1.639 13.309 11.434 1.00 0.00 H new ATOM 0 HA GLU A 40 3.171 12.214 13.426 1.00 0.00 H new ATOM 0 HB2 GLU A 40 0.505 12.680 13.020 1.00 0.00 H new ATOM 0 HB3 GLU A 40 0.537 10.928 13.001 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.199 11.783 15.306 1.00 0.00 H new ATOM 0 HG3 GLU A 40 1.700 10.886 15.185 1.00 0.00 H new ATOM 609 N ILE A 41 2.496 10.068 11.054 1.00 0.00 N ATOM 610 CA ILE A 41 2.838 8.761 10.520 1.00 0.00 C ATOM 611 C ILE A 41 4.349 8.688 10.291 1.00 0.00 C ATOM 612 O ILE A 41 5.025 7.830 10.857 1.00 0.00 O ATOM 613 CB ILE A 41 2.012 8.461 9.267 1.00 0.00 C ATOM 614 CG1 ILE A 41 0.517 8.432 9.591 1.00 0.00 C ATOM 615 CG2 ILE A 41 2.479 7.166 8.599 1.00 0.00 C ATOM 616 CD1 ILE A 41 -0.320 8.732 8.346 1.00 0.00 C ATOM 0 H ILE A 41 1.933 10.649 10.432 1.00 0.00 H new ATOM 0 HA ILE A 41 2.585 7.979 11.236 1.00 0.00 H new ATOM 0 HB ILE A 41 2.171 9.268 8.551 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.246 7.454 9.988 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.295 9.164 10.368 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.876 6.976 7.711 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.526 7.262 8.312 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.368 6.336 9.297 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.379 8.705 8.604 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.064 9.721 7.965 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.114 7.984 7.580 1.00 0.00 H new ATOM 628 N GLY A 42 4.835 9.599 9.461 1.00 0.00 N ATOM 629 CA GLY A 42 6.254 9.649 9.152 1.00 0.00 C ATOM 630 C GLY A 42 7.097 9.486 10.417 1.00 0.00 C ATOM 631 O GLY A 42 8.076 8.741 10.424 1.00 0.00 O ATOM 0 H GLY A 42 4.271 10.309 8.993 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.503 8.861 8.441 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.492 10.598 8.672 1.00 0.00 H new ATOM 635 N SER A 43 6.688 10.196 11.458 1.00 0.00 N ATOM 636 CA SER A 43 7.394 10.140 12.727 1.00 0.00 C ATOM 637 C SER A 43 7.423 8.701 13.246 1.00 0.00 C ATOM 638 O SER A 43 8.487 8.176 13.569 1.00 0.00 O ATOM 639 CB SER A 43 6.746 11.064 13.760 1.00 0.00 C ATOM 640 OG SER A 43 7.705 11.623 14.653 1.00 0.00 O ATOM 0 H SER A 43 5.876 10.813 11.449 1.00 0.00 H new ATOM 0 HA SER A 43 8.416 10.482 12.565 1.00 0.00 H new ATOM 0 HB2 SER A 43 6.217 11.867 13.247 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.003 10.506 14.329 1.00 0.00 H new ATOM 0 HG SER A 43 7.252 12.208 15.296 1.00 0.00 H new ATOM 646 N ARG A 44 6.242 8.105 13.311 1.00 0.00 N ATOM 647 CA ARG A 44 6.118 6.738 13.786 1.00 0.00 C ATOM 648 C ARG A 44 6.967 5.799 12.926 1.00 0.00 C ATOM 649 O ARG A 44 7.635 4.907 13.448 1.00 0.00 O ATOM 650 CB ARG A 44 4.661 6.272 13.751 1.00 0.00 C ATOM 651 CG ARG A 44 3.826 7.006 14.802 1.00 0.00 C ATOM 652 CD ARG A 44 2.602 6.180 15.204 1.00 0.00 C ATOM 653 NE ARG A 44 2.910 5.369 16.402 1.00 0.00 N ATOM 654 CZ ARG A 44 2.844 5.831 17.659 1.00 0.00 C ATOM 655 NH1 ARG A 44 2.481 7.100 17.888 1.00 0.00 N ATOM 656 NH2 ARG A 44 3.141 5.023 18.686 1.00 0.00 N ATOM 0 H ARG A 44 5.362 8.544 13.042 1.00 0.00 H new ATOM 0 HA ARG A 44 6.471 6.712 14.817 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.242 6.449 12.760 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.615 5.198 13.930 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.438 7.208 15.681 1.00 0.00 H new ATOM 0 HG3 ARG A 44 3.505 7.970 14.408 1.00 0.00 H new ATOM 0 HD2 ARG A 44 1.759 6.840 15.408 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.306 5.530 14.381 1.00 0.00 H new ATOM 0 HE ARG A 44 3.190 4.398 16.263 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.255 7.715 17.106 1.00 0.00 H new ATOM 0 HH12 ARG A 44 2.431 7.451 18.844 1.00 0.00 H new ATOM 0 HH21 ARG A 44 3.417 4.057 18.511 1.00 0.00 H new ATOM 0 HH22 ARG A 44 3.091 5.374 19.642 1.00 0.00 H new ATOM 670 N TRP A 45 6.914 6.031 11.623 1.00 0.00 N ATOM 671 CA TRP A 45 7.669 5.217 10.686 1.00 0.00 C ATOM 672 C TRP A 45 9.158 5.475 10.929 1.00 0.00 C ATOM 673 O TRP A 45 9.984 4.583 10.744 1.00 0.00 O ATOM 674 CB TRP A 45 7.241 5.500 9.244 1.00 0.00 C ATOM 675 CG TRP A 45 8.166 4.890 8.189 1.00 0.00 C ATOM 676 CD1 TRP A 45 9.178 5.480 7.539 1.00 0.00 C ATOM 677 CD2 TRP A 45 8.122 3.538 7.686 1.00 0.00 C ATOM 678 NE1 TRP A 45 9.787 4.611 6.656 1.00 0.00 N ATOM 679 CE2 TRP A 45 9.125 3.392 6.749 1.00 0.00 C ATOM 680 CE3 TRP A 45 7.264 2.473 8.013 1.00 0.00 C ATOM 681 CZ2 TRP A 45 9.364 2.197 6.061 1.00 0.00 C ATOM 682 CZ3 TRP A 45 7.516 1.285 7.316 1.00 0.00 C ATOM 683 CH2 TRP A 45 8.521 1.122 6.370 1.00 0.00 C ATOM 0 H TRP A 45 6.359 6.772 11.194 1.00 0.00 H new ATOM 0 HA TRP A 45 7.468 4.158 10.846 1.00 0.00 H new ATOM 0 HB2 TRP A 45 6.232 5.116 9.093 1.00 0.00 H new ATOM 0 HB3 TRP A 45 7.197 6.579 9.094 1.00 0.00 H new ATOM 0 HD1 TRP A 45 9.479 6.506 7.687 1.00 0.00 H new ATOM 0 HE1 TRP A 45 10.577 4.824 6.047 1.00 0.00 H new ATOM 0 HE3 TRP A 45 6.474 2.564 8.743 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 10.155 2.109 5.331 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 6.885 0.435 7.529 1.00 0.00 H new ATOM 0 HH2 TRP A 45 8.651 0.171 5.875 1.00 0.00 H new ATOM 694 N GLN A 46 9.454 6.700 11.340 1.00 0.00 N ATOM 695 CA GLN A 46 10.828 7.086 11.610 1.00 0.00 C ATOM 696 C GLN A 46 11.250 6.609 13.001 1.00 0.00 C ATOM 697 O GLN A 46 12.425 6.688 13.359 1.00 0.00 O ATOM 698 CB GLN A 46 11.010 8.599 11.471 1.00 0.00 C ATOM 699 CG GLN A 46 11.081 9.010 9.999 1.00 0.00 C ATOM 700 CD GLN A 46 11.936 10.267 9.821 1.00 0.00 C ATOM 701 OE1 GLN A 46 12.980 10.430 10.430 1.00 0.00 O ATOM 702 NE2 GLN A 46 11.434 11.143 8.956 1.00 0.00 N ATOM 0 H GLN A 46 8.766 7.437 11.492 1.00 0.00 H new ATOM 0 HA GLN A 46 11.471 6.606 10.872 1.00 0.00 H new ATOM 0 HB2 GLN A 46 10.181 9.115 11.957 1.00 0.00 H new ATOM 0 HB3 GLN A 46 11.922 8.908 11.983 1.00 0.00 H new ATOM 0 HG2 GLN A 46 11.500 8.194 9.410 1.00 0.00 H new ATOM 0 HG3 GLN A 46 10.076 9.193 9.620 1.00 0.00 H new ATOM 0 HE21 GLN A 46 10.554 10.943 8.480 1.00 0.00 H new ATOM 0 HE22 GLN A 46 11.929 12.015 8.768 1.00 0.00 H new ATOM 711 N ARG A 47 10.269 6.124 13.748 1.00 0.00 N ATOM 712 CA ARG A 47 10.524 5.634 15.092 1.00 0.00 C ATOM 713 C ARG A 47 10.916 4.155 15.052 1.00 0.00 C ATOM 714 O ARG A 47 11.980 3.778 15.541 1.00 0.00 O ATOM 715 CB ARG A 47 9.292 5.804 15.983 1.00 0.00 C ATOM 716 CG ARG A 47 9.175 7.243 16.489 1.00 0.00 C ATOM 717 CD ARG A 47 7.905 7.431 17.320 1.00 0.00 C ATOM 718 NE ARG A 47 8.208 7.247 18.757 1.00 0.00 N ATOM 719 CZ ARG A 47 8.177 6.065 19.387 1.00 0.00 C ATOM 720 NH1 ARG A 47 7.855 4.954 18.710 1.00 0.00 N ATOM 721 NH2 ARG A 47 8.467 5.993 20.693 1.00 0.00 N ATOM 0 H ARG A 47 9.296 6.060 13.448 1.00 0.00 H new ATOM 0 HA ARG A 47 11.343 6.220 15.509 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.395 5.537 15.424 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.354 5.121 16.830 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.048 7.492 17.092 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.165 7.930 15.643 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.494 8.426 17.151 1.00 0.00 H new ATOM 0 HD3 ARG A 47 7.146 6.715 17.006 1.00 0.00 H new ATOM 0 HE ARG A 47 8.456 8.073 19.302 1.00 0.00 H new ATOM 0 HH11 ARG A 47 7.634 5.009 17.716 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.831 4.054 19.189 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.712 6.838 21.208 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.443 5.093 21.172 1.00 0.00 H new ATOM 735 N ILE A 48 10.035 3.358 14.466 1.00 0.00 N ATOM 736 CA ILE A 48 10.276 1.929 14.356 1.00 0.00 C ATOM 737 C ILE A 48 11.720 1.693 13.909 1.00 0.00 C ATOM 738 O ILE A 48 12.404 2.624 13.487 1.00 0.00 O ATOM 739 CB ILE A 48 9.235 1.279 13.443 1.00 0.00 C ATOM 740 CG1 ILE A 48 9.144 2.015 12.104 1.00 0.00 C ATOM 741 CG2 ILE A 48 7.876 1.185 14.139 1.00 0.00 C ATOM 742 CD1 ILE A 48 8.183 1.302 11.151 1.00 0.00 C ATOM 0 H ILE A 48 9.153 3.674 14.062 1.00 0.00 H new ATOM 0 HA ILE A 48 10.160 1.447 15.327 1.00 0.00 H new ATOM 0 HB ILE A 48 9.558 0.260 13.229 1.00 0.00 H new ATOM 0 HG12 ILE A 48 8.806 3.038 12.269 1.00 0.00 H new ATOM 0 HG13 ILE A 48 10.133 2.076 11.650 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.155 0.719 13.468 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.971 0.584 15.043 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.532 2.185 14.403 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.137 1.845 10.207 1.00 0.00 H new ATOM 0 HD12 ILE A 48 8.537 0.287 10.969 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.189 1.264 11.597 1.00 0.00 H new ATOM 754 N SER A 49 12.142 0.441 14.017 1.00 0.00 N ATOM 755 CA SER A 49 13.492 0.071 13.629 1.00 0.00 C ATOM 756 C SER A 49 13.483 -0.551 12.231 1.00 0.00 C ATOM 757 O SER A 49 12.467 -0.516 11.538 1.00 0.00 O ATOM 758 CB SER A 49 14.108 -0.901 14.638 1.00 0.00 C ATOM 759 OG SER A 49 15.399 -0.477 15.067 1.00 0.00 O ATOM 0 H SER A 49 11.573 -0.329 14.368 1.00 0.00 H new ATOM 0 HA SER A 49 14.103 0.973 13.614 1.00 0.00 H new ATOM 0 HB2 SER A 49 13.450 -0.992 15.502 1.00 0.00 H new ATOM 0 HB3 SER A 49 14.182 -1.891 14.189 1.00 0.00 H new ATOM 0 HG SER A 49 15.758 -1.122 15.711 1.00 0.00 H new ATOM 765 N GLN A 50 14.626 -1.107 11.857 1.00 0.00 N ATOM 766 CA GLN A 50 14.763 -1.736 10.555 1.00 0.00 C ATOM 767 C GLN A 50 13.755 -2.878 10.409 1.00 0.00 C ATOM 768 O GLN A 50 12.990 -2.917 9.446 1.00 0.00 O ATOM 769 CB GLN A 50 16.192 -2.233 10.333 1.00 0.00 C ATOM 770 CG GLN A 50 16.373 -2.764 8.910 1.00 0.00 C ATOM 771 CD GLN A 50 15.940 -1.722 7.876 1.00 0.00 C ATOM 772 OE1 GLN A 50 14.648 -1.773 7.567 1.00 0.00 O flip ATOM 773 NE2 GLN A 50 16.727 -0.926 7.393 1.00 0.00 N flip ATOM 0 H GLN A 50 15.467 -1.135 12.434 1.00 0.00 H new ATOM 0 HA GLN A 50 14.551 -0.990 9.789 1.00 0.00 H new ATOM 0 HB2 GLN A 50 16.896 -1.420 10.514 1.00 0.00 H new ATOM 0 HB3 GLN A 50 16.423 -3.020 11.051 1.00 0.00 H new ATOM 0 HG2 GLN A 50 17.417 -3.030 8.748 1.00 0.00 H new ATOM 0 HG3 GLN A 50 15.788 -3.675 8.781 1.00 0.00 H new ATOM 0 HE21 GLN A 50 17.707 -0.942 7.676 1.00 0.00 H new ATOM 0 HE22 GLN A 50 16.406 -0.244 6.706 1.00 0.00 H new ATOM 782 N SER A 51 13.788 -3.780 11.379 1.00 0.00 N ATOM 783 CA SER A 51 12.887 -4.921 11.370 1.00 0.00 C ATOM 784 C SER A 51 11.521 -4.505 10.821 1.00 0.00 C ATOM 785 O SER A 51 11.061 -5.046 9.817 1.00 0.00 O ATOM 786 CB SER A 51 12.737 -5.514 12.772 1.00 0.00 C ATOM 787 OG SER A 51 11.663 -6.448 12.845 1.00 0.00 O ATOM 0 H SER A 51 14.424 -3.744 12.176 1.00 0.00 H new ATOM 0 HA SER A 51 13.313 -5.688 10.723 1.00 0.00 H new ATOM 0 HB2 SER A 51 13.666 -6.007 13.058 1.00 0.00 H new ATOM 0 HB3 SER A 51 12.568 -4.711 13.489 1.00 0.00 H new ATOM 0 HG SER A 51 11.601 -6.805 13.756 1.00 0.00 H new ATOM 793 N GLN A 52 10.911 -3.547 11.504 1.00 0.00 N ATOM 794 CA GLN A 52 9.607 -3.052 11.097 1.00 0.00 C ATOM 795 C GLN A 52 9.617 -2.688 9.611 1.00 0.00 C ATOM 796 O GLN A 52 9.015 -3.382 8.794 1.00 0.00 O ATOM 797 CB GLN A 52 9.183 -1.856 11.952 1.00 0.00 C ATOM 798 CG GLN A 52 7.929 -2.181 12.766 1.00 0.00 C ATOM 799 CD GLN A 52 8.061 -3.539 13.459 1.00 0.00 C ATOM 800 OE1 GLN A 52 9.139 -3.974 13.828 1.00 0.00 O ATOM 801 NE2 GLN A 52 6.907 -4.182 13.613 1.00 0.00 N ATOM 0 H GLN A 52 11.296 -3.101 12.336 1.00 0.00 H new ATOM 0 HA GLN A 52 8.875 -3.845 11.252 1.00 0.00 H new ATOM 0 HB2 GLN A 52 9.995 -1.579 12.624 1.00 0.00 H new ATOM 0 HB3 GLN A 52 8.992 -0.996 11.311 1.00 0.00 H new ATOM 0 HG2 GLN A 52 7.763 -1.403 13.511 1.00 0.00 H new ATOM 0 HG3 GLN A 52 7.057 -2.186 12.111 1.00 0.00 H new ATOM 0 HE21 GLN A 52 6.040 -3.760 13.281 1.00 0.00 H new ATOM 0 HE22 GLN A 52 6.889 -5.097 14.064 1.00 0.00 H new ATOM 810 N LYS A 53 10.309 -1.600 9.307 1.00 0.00 N ATOM 811 CA LYS A 53 10.406 -1.135 7.933 1.00 0.00 C ATOM 812 C LYS A 53 10.549 -2.339 7.001 1.00 0.00 C ATOM 813 O LYS A 53 9.888 -2.409 5.966 1.00 0.00 O ATOM 814 CB LYS A 53 11.533 -0.110 7.793 1.00 0.00 C ATOM 815 CG LYS A 53 11.225 1.158 8.592 1.00 0.00 C ATOM 816 CD LYS A 53 12.477 2.022 8.754 1.00 0.00 C ATOM 817 CE LYS A 53 12.112 3.505 8.844 1.00 0.00 C ATOM 818 NZ LYS A 53 12.936 4.180 9.872 1.00 0.00 N ATOM 0 H LYS A 53 10.808 -1.027 9.988 1.00 0.00 H new ATOM 0 HA LYS A 53 9.495 -0.613 7.642 1.00 0.00 H new ATOM 0 HB2 LYS A 53 12.470 -0.545 8.141 1.00 0.00 H new ATOM 0 HB3 LYS A 53 11.670 0.143 6.742 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.447 1.730 8.087 1.00 0.00 H new ATOM 0 HG3 LYS A 53 10.836 0.888 9.574 1.00 0.00 H new ATOM 0 HD2 LYS A 53 13.017 1.722 9.652 1.00 0.00 H new ATOM 0 HD3 LYS A 53 13.147 1.859 7.910 1.00 0.00 H new ATOM 0 HE2 LYS A 53 12.264 3.983 7.876 1.00 0.00 H new ATOM 0 HE3 LYS A 53 11.055 3.611 9.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 12.761 5.205 9.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 12.684 3.816 10.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 13.942 3.994 9.687 1.00 0.00 H new ATOM 832 N GLU A 54 11.417 -3.257 7.401 1.00 0.00 N ATOM 833 CA GLU A 54 11.656 -4.455 6.614 1.00 0.00 C ATOM 834 C GLU A 54 10.362 -5.257 6.463 1.00 0.00 C ATOM 835 O GLU A 54 9.899 -5.491 5.347 1.00 0.00 O ATOM 836 CB GLU A 54 12.761 -5.309 7.237 1.00 0.00 C ATOM 837 CG GLU A 54 14.133 -4.923 6.680 1.00 0.00 C ATOM 838 CD GLU A 54 14.508 -5.804 5.486 1.00 0.00 C ATOM 839 OE1 GLU A 54 13.618 -6.013 4.634 1.00 0.00 O ATOM 840 OE2 GLU A 54 15.675 -6.249 5.454 1.00 0.00 O ATOM 0 H GLU A 54 11.963 -3.195 8.260 1.00 0.00 H new ATOM 0 HA GLU A 54 11.992 -4.154 5.622 1.00 0.00 H new ATOM 0 HB2 GLU A 54 12.756 -5.183 8.320 1.00 0.00 H new ATOM 0 HB3 GLU A 54 12.567 -6.363 7.038 1.00 0.00 H new ATOM 0 HG2 GLU A 54 14.125 -3.876 6.376 1.00 0.00 H new ATOM 0 HG3 GLU A 54 14.887 -5.022 7.461 1.00 0.00 H new ATOM 847 N HIS A 55 9.814 -5.657 7.601 1.00 0.00 N ATOM 848 CA HIS A 55 8.583 -6.428 7.609 1.00 0.00 C ATOM 849 C HIS A 55 7.581 -5.806 6.634 1.00 0.00 C ATOM 850 O HIS A 55 7.216 -6.425 5.636 1.00 0.00 O ATOM 851 CB HIS A 55 8.029 -6.552 9.030 1.00 0.00 C ATOM 852 CG HIS A 55 6.810 -7.436 9.139 1.00 0.00 C ATOM 853 ND1 HIS A 55 6.890 -8.815 9.232 1.00 0.00 N ATOM 854 CD2 HIS A 55 5.482 -7.124 9.170 1.00 0.00 C ATOM 855 CE1 HIS A 55 5.659 -9.300 9.314 1.00 0.00 C ATOM 856 NE2 HIS A 55 4.789 -8.251 9.274 1.00 0.00 N ATOM 0 H HIS A 55 10.200 -5.461 8.524 1.00 0.00 H new ATOM 0 HA HIS A 55 8.784 -7.444 7.270 1.00 0.00 H new ATOM 0 HB2 HIS A 55 8.810 -6.946 9.680 1.00 0.00 H new ATOM 0 HB3 HIS A 55 7.778 -5.558 9.399 1.00 0.00 H new ATOM 0 HD1 HIS A 55 7.750 -9.364 9.237 1.00 0.00 H new ATOM 0 HD2 HIS A 55 5.066 -6.129 9.119 1.00 0.00 H new ATOM 0 HE1 HIS A 55 5.392 -10.343 9.398 1.00 0.00 H new ATOM 864 N TYR A 56 7.166 -4.591 6.958 1.00 0.00 N ATOM 865 CA TYR A 56 6.213 -3.878 6.124 1.00 0.00 C ATOM 866 C TYR A 56 6.637 -3.915 4.654 1.00 0.00 C ATOM 867 O TYR A 56 5.839 -4.256 3.782 1.00 0.00 O ATOM 868 CB TYR A 56 6.229 -2.428 6.610 1.00 0.00 C ATOM 869 CG TYR A 56 5.425 -2.192 7.891 1.00 0.00 C ATOM 870 CD1 TYR A 56 4.115 -2.619 7.972 1.00 0.00 C ATOM 871 CD2 TYR A 56 6.011 -1.554 8.965 1.00 0.00 C ATOM 872 CE1 TYR A 56 3.359 -2.398 9.177 1.00 0.00 C ATOM 873 CE2 TYR A 56 5.255 -1.332 10.170 1.00 0.00 C ATOM 874 CZ TYR A 56 3.966 -1.765 10.217 1.00 0.00 C ATOM 875 OH TYR A 56 3.252 -1.556 11.356 1.00 0.00 O ATOM 0 H TYR A 56 7.472 -4.081 7.787 1.00 0.00 H new ATOM 0 HA TYR A 56 5.225 -4.332 6.196 1.00 0.00 H new ATOM 0 HB2 TYR A 56 7.262 -2.124 6.780 1.00 0.00 H new ATOM 0 HB3 TYR A 56 5.834 -1.787 5.822 1.00 0.00 H new ATOM 0 HD1 TYR A 56 3.657 -3.119 7.131 1.00 0.00 H new ATOM 0 HD2 TYR A 56 7.037 -1.221 8.902 1.00 0.00 H new ATOM 0 HE1 TYR A 56 2.333 -2.727 9.254 1.00 0.00 H new ATOM 0 HE2 TYR A 56 5.701 -0.833 11.018 1.00 0.00 H new ATOM 0 HH TYR A 56 3.813 -1.094 12.014 1.00 0.00 H new ATOM 885 N LYS A 57 7.893 -3.560 4.424 1.00 0.00 N ATOM 886 CA LYS A 57 8.433 -3.548 3.075 1.00 0.00 C ATOM 887 C LYS A 57 8.280 -4.940 2.458 1.00 0.00 C ATOM 888 O LYS A 57 8.144 -5.072 1.242 1.00 0.00 O ATOM 889 CB LYS A 57 9.873 -3.031 3.079 1.00 0.00 C ATOM 890 CG LYS A 57 10.408 -2.891 1.652 1.00 0.00 C ATOM 891 CD LYS A 57 11.426 -1.752 1.558 1.00 0.00 C ATOM 892 CE LYS A 57 12.800 -2.202 2.059 1.00 0.00 C ATOM 893 NZ LYS A 57 13.609 -2.737 0.941 1.00 0.00 N ATOM 0 H LYS A 57 8.552 -3.278 5.150 1.00 0.00 H new ATOM 0 HA LYS A 57 7.873 -2.856 2.446 1.00 0.00 H new ATOM 0 HB2 LYS A 57 9.915 -2.066 3.584 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.507 -3.714 3.644 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.873 -3.826 1.341 1.00 0.00 H new ATOM 0 HG3 LYS A 57 9.582 -2.703 0.967 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.505 -1.414 0.525 1.00 0.00 H new ATOM 0 HD3 LYS A 57 11.081 -0.902 2.146 1.00 0.00 H new ATOM 0 HE2 LYS A 57 13.318 -1.362 2.521 1.00 0.00 H new ATOM 0 HE3 LYS A 57 12.681 -2.965 2.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 14.538 -3.038 1.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 13.120 -3.552 0.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 13.738 -1.998 0.221 1.00 0.00 H new ATOM 907 N LYS A 58 8.310 -5.943 3.323 1.00 0.00 N ATOM 908 CA LYS A 58 8.177 -7.319 2.878 1.00 0.00 C ATOM 909 C LYS A 58 6.710 -7.605 2.548 1.00 0.00 C ATOM 910 O LYS A 58 6.412 -8.302 1.579 1.00 0.00 O ATOM 911 CB LYS A 58 8.772 -8.277 3.912 1.00 0.00 C ATOM 912 CG LYS A 58 8.007 -9.602 3.936 1.00 0.00 C ATOM 913 CD LYS A 58 6.751 -9.494 4.802 1.00 0.00 C ATOM 914 CE LYS A 58 6.397 -10.846 5.426 1.00 0.00 C ATOM 915 NZ LYS A 58 6.020 -11.818 4.376 1.00 0.00 N ATOM 0 H LYS A 58 8.425 -5.830 4.330 1.00 0.00 H new ATOM 0 HA LYS A 58 8.747 -7.479 1.963 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.821 -8.463 3.680 1.00 0.00 H new ATOM 0 HB3 LYS A 58 8.741 -7.817 4.900 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.730 -9.884 2.920 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.652 -10.392 4.321 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.910 -8.757 5.589 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.917 -9.139 4.197 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.247 -11.225 5.993 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.574 -10.724 6.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.686 -12.697 4.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.262 -11.417 3.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.847 -12.024 3.781 1.00 0.00 H new ATOM 929 N LEU A 59 5.833 -7.051 3.372 1.00 0.00 N ATOM 930 CA LEU A 59 4.405 -7.237 3.180 1.00 0.00 C ATOM 931 C LEU A 59 3.956 -6.462 1.939 1.00 0.00 C ATOM 932 O LEU A 59 3.200 -6.981 1.119 1.00 0.00 O ATOM 933 CB LEU A 59 3.640 -6.860 4.450 1.00 0.00 C ATOM 934 CG LEU A 59 3.926 -7.717 5.685 1.00 0.00 C ATOM 935 CD1 LEU A 59 3.307 -7.097 6.939 1.00 0.00 C ATOM 936 CD2 LEU A 59 3.463 -9.160 5.471 1.00 0.00 C ATOM 0 H LEU A 59 6.084 -6.473 4.174 1.00 0.00 H new ATOM 0 HA LEU A 59 4.179 -8.288 2.999 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.867 -5.822 4.692 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.572 -6.911 4.236 1.00 0.00 H new ATOM 0 HG LEU A 59 5.005 -7.744 5.838 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.525 -7.726 7.802 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.726 -6.104 7.099 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.227 -7.019 6.811 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.678 -9.747 6.364 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.390 -9.173 5.278 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.990 -9.589 4.619 1.00 0.00 H new ATOM 948 N ALA A 60 4.441 -5.233 1.841 1.00 0.00 N ATOM 949 CA ALA A 60 4.099 -4.382 0.714 1.00 0.00 C ATOM 950 C ALA A 60 4.257 -5.175 -0.585 1.00 0.00 C ATOM 951 O ALA A 60 3.493 -4.984 -1.530 1.00 0.00 O ATOM 952 CB ALA A 60 4.972 -3.126 0.740 1.00 0.00 C ATOM 0 H ALA A 60 5.068 -4.806 2.523 1.00 0.00 H new ATOM 0 HA ALA A 60 3.060 -4.059 0.778 1.00 0.00 H new ATOM 0 HB1 ALA A 60 4.716 -2.487 -0.105 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.801 -2.583 1.670 1.00 0.00 H new ATOM 0 HB3 ALA A 60 6.022 -3.411 0.674 1.00 0.00 H new ATOM 958 N GLU A 61 5.253 -6.048 -0.590 1.00 0.00 N ATOM 959 CA GLU A 61 5.521 -6.871 -1.758 1.00 0.00 C ATOM 960 C GLU A 61 4.441 -7.944 -1.910 1.00 0.00 C ATOM 961 O GLU A 61 4.077 -8.309 -3.026 1.00 0.00 O ATOM 962 CB GLU A 61 6.913 -7.501 -1.677 1.00 0.00 C ATOM 963 CG GLU A 61 7.882 -6.593 -0.918 1.00 0.00 C ATOM 964 CD GLU A 61 9.256 -6.572 -1.592 1.00 0.00 C ATOM 965 OE1 GLU A 61 9.281 -6.352 -2.822 1.00 0.00 O ATOM 966 OE2 GLU A 61 10.250 -6.777 -0.862 1.00 0.00 O ATOM 0 H GLU A 61 5.884 -6.204 0.196 1.00 0.00 H new ATOM 0 HA GLU A 61 5.498 -6.233 -2.641 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.850 -8.469 -1.179 1.00 0.00 H new ATOM 0 HB3 GLU A 61 7.292 -7.684 -2.682 1.00 0.00 H new ATOM 0 HG2 GLU A 61 7.479 -5.581 -0.874 1.00 0.00 H new ATOM 0 HG3 GLU A 61 7.983 -6.941 0.110 1.00 0.00 H new ATOM 973 N GLU A 62 3.960 -8.420 -0.770 1.00 0.00 N ATOM 974 CA GLU A 62 2.929 -9.444 -0.763 1.00 0.00 C ATOM 975 C GLU A 62 1.604 -8.867 -1.265 1.00 0.00 C ATOM 976 O GLU A 62 0.854 -9.544 -1.967 1.00 0.00 O ATOM 977 CB GLU A 62 2.770 -10.051 0.632 1.00 0.00 C ATOM 978 CG GLU A 62 1.593 -11.028 0.674 1.00 0.00 C ATOM 979 CD GLU A 62 2.084 -12.476 0.713 1.00 0.00 C ATOM 980 OE1 GLU A 62 3.073 -12.759 0.003 1.00 0.00 O ATOM 981 OE2 GLU A 62 1.460 -13.268 1.452 1.00 0.00 O ATOM 0 H GLU A 62 4.265 -8.115 0.154 1.00 0.00 H new ATOM 0 HA GLU A 62 3.233 -10.243 -1.439 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.687 -10.568 0.914 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.614 -9.257 1.362 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.978 -10.825 1.551 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.960 -10.878 -0.201 1.00 0.00 H new ATOM 988 N GLN A 63 1.356 -7.622 -0.885 1.00 0.00 N ATOM 989 CA GLN A 63 0.134 -6.947 -1.288 1.00 0.00 C ATOM 990 C GLN A 63 0.049 -6.868 -2.813 1.00 0.00 C ATOM 991 O GLN A 63 -0.962 -7.247 -3.403 1.00 0.00 O ATOM 992 CB GLN A 63 0.046 -5.554 -0.662 1.00 0.00 C ATOM 993 CG GLN A 63 -1.138 -5.461 0.304 1.00 0.00 C ATOM 994 CD GLN A 63 -2.465 -5.433 -0.456 1.00 0.00 C ATOM 995 OE1 GLN A 63 -3.040 -6.456 -0.790 1.00 0.00 O ATOM 996 NE2 GLN A 63 -2.918 -4.208 -0.710 1.00 0.00 N ATOM 0 H GLN A 63 1.980 -7.064 -0.303 1.00 0.00 H new ATOM 0 HA GLN A 63 -0.715 -7.527 -0.926 1.00 0.00 H new ATOM 0 HB2 GLN A 63 0.971 -5.331 -0.131 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -0.060 -4.805 -1.447 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -1.123 -6.311 0.986 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.045 -4.562 0.913 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -2.387 -3.394 -0.402 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -3.797 -4.083 -1.213 1.00 0.00 H new ATOM 1005 N GLN A 64 1.124 -6.374 -3.410 1.00 0.00 N ATOM 1006 CA GLN A 64 1.184 -6.242 -4.855 1.00 0.00 C ATOM 1007 C GLN A 64 1.151 -7.621 -5.517 1.00 0.00 C ATOM 1008 O GLN A 64 0.733 -7.752 -6.666 1.00 0.00 O ATOM 1009 CB GLN A 64 2.426 -5.457 -5.283 1.00 0.00 C ATOM 1010 CG GLN A 64 2.418 -4.049 -4.685 1.00 0.00 C ATOM 1011 CD GLN A 64 3.836 -3.481 -4.602 1.00 0.00 C ATOM 1012 OE1 GLN A 64 4.296 -2.760 -5.472 1.00 0.00 O ATOM 1013 NE2 GLN A 64 4.500 -3.844 -3.508 1.00 0.00 N ATOM 0 H GLN A 64 1.961 -6.060 -2.918 1.00 0.00 H new ATOM 0 HA GLN A 64 0.309 -5.682 -5.185 1.00 0.00 H new ATOM 0 HB2 GLN A 64 3.323 -5.987 -4.963 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.464 -5.394 -6.371 1.00 0.00 H new ATOM 0 HG2 GLN A 64 1.795 -3.394 -5.295 1.00 0.00 H new ATOM 0 HG3 GLN A 64 1.974 -4.075 -3.690 1.00 0.00 H new ATOM 0 HE21 GLN A 64 4.055 -4.450 -2.819 1.00 0.00 H new ATOM 0 HE22 GLN A 64 5.454 -3.516 -3.358 1.00 0.00 H new ATOM 1022 N ARG A 65 1.598 -8.614 -4.763 1.00 0.00 N ATOM 1023 CA ARG A 65 1.626 -9.979 -5.262 1.00 0.00 C ATOM 1024 C ARG A 65 0.209 -10.555 -5.310 1.00 0.00 C ATOM 1025 O ARG A 65 -0.172 -11.193 -6.289 1.00 0.00 O ATOM 1026 CB ARG A 65 2.502 -10.870 -4.379 1.00 0.00 C ATOM 1027 CG ARG A 65 1.961 -12.301 -4.338 1.00 0.00 C ATOM 1028 CD ARG A 65 2.983 -13.255 -3.716 1.00 0.00 C ATOM 1029 NE ARG A 65 2.668 -14.651 -4.094 1.00 0.00 N ATOM 1030 CZ ARG A 65 3.473 -15.695 -3.854 1.00 0.00 C ATOM 1031 NH1 ARG A 65 4.647 -15.507 -3.236 1.00 0.00 N ATOM 1032 NH2 ARG A 65 3.105 -16.926 -4.233 1.00 0.00 N ATOM 0 H ARG A 65 1.944 -8.501 -3.810 1.00 0.00 H new ATOM 0 HA ARG A 65 2.047 -9.957 -6.267 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.523 -10.874 -4.760 1.00 0.00 H new ATOM 0 HB3 ARG A 65 2.540 -10.462 -3.369 1.00 0.00 H new ATOM 0 HG2 ARG A 65 1.036 -12.328 -3.762 1.00 0.00 H new ATOM 0 HG3 ARG A 65 1.718 -12.631 -5.348 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.987 -12.996 -4.053 1.00 0.00 H new ATOM 0 HD3 ARG A 65 2.975 -13.153 -2.631 1.00 0.00 H new ATOM 0 HE ARG A 65 1.782 -14.830 -4.567 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.928 -14.569 -2.948 1.00 0.00 H new ATOM 0 HH12 ARG A 65 5.260 -16.301 -3.053 1.00 0.00 H new ATOM 0 HH21 ARG A 65 2.212 -17.069 -4.704 1.00 0.00 H new ATOM 0 HH22 ARG A 65 3.718 -17.720 -4.050 1.00 0.00 H new ATOM 1046 N GLN A 66 -0.532 -10.309 -4.239 1.00 0.00 N ATOM 1047 CA GLN A 66 -1.898 -10.795 -4.147 1.00 0.00 C ATOM 1048 C GLN A 66 -2.791 -10.063 -5.150 1.00 0.00 C ATOM 1049 O GLN A 66 -3.565 -10.691 -5.872 1.00 0.00 O ATOM 1050 CB GLN A 66 -2.437 -10.648 -2.723 1.00 0.00 C ATOM 1051 CG GLN A 66 -1.760 -11.639 -1.774 1.00 0.00 C ATOM 1052 CD GLN A 66 -2.014 -11.261 -0.313 1.00 0.00 C ATOM 1053 OE1 GLN A 66 -1.350 -10.180 0.088 1.00 0.00 O flip ATOM 1054 NE2 GLN A 66 -2.762 -11.907 0.401 1.00 0.00 N flip ATOM 0 H GLN A 66 -0.212 -9.780 -3.428 1.00 0.00 H new ATOM 0 HA GLN A 66 -1.903 -11.857 -4.394 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -2.270 -9.630 -2.371 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.514 -10.814 -2.719 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.136 -12.644 -1.964 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -0.687 -11.658 -1.967 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -3.241 -12.727 0.028 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -2.909 -11.627 1.371 1.00 0.00 H new ATOM 1063 N TYR A 67 -2.655 -8.745 -5.164 1.00 0.00 N ATOM 1064 CA TYR A 67 -3.440 -7.921 -6.067 1.00 0.00 C ATOM 1065 C TYR A 67 -3.227 -8.345 -7.521 1.00 0.00 C ATOM 1066 O TYR A 67 -4.083 -8.108 -8.372 1.00 0.00 O ATOM 1067 CB TYR A 67 -2.927 -6.491 -5.885 1.00 0.00 C ATOM 1068 CG TYR A 67 -3.182 -5.580 -7.088 1.00 0.00 C ATOM 1069 CD1 TYR A 67 -4.366 -4.877 -7.182 1.00 0.00 C ATOM 1070 CD2 TYR A 67 -2.229 -5.464 -8.079 1.00 0.00 C ATOM 1071 CE1 TYR A 67 -4.605 -4.020 -8.315 1.00 0.00 C ATOM 1072 CE2 TYR A 67 -2.469 -4.607 -9.211 1.00 0.00 C ATOM 1073 CZ TYR A 67 -3.645 -3.928 -9.273 1.00 0.00 C ATOM 1074 OH TYR A 67 -3.872 -3.119 -10.343 1.00 0.00 O ATOM 0 H TYR A 67 -2.013 -8.227 -4.564 1.00 0.00 H new ATOM 0 HA TYR A 67 -4.503 -8.015 -5.847 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -3.401 -6.055 -5.005 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.856 -6.523 -5.687 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -5.112 -4.969 -6.407 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.303 -6.016 -8.006 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -5.526 -3.463 -8.401 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -1.731 -4.506 -9.993 1.00 0.00 H new ATOM 0 HH TYR A 67 -3.100 -3.150 -10.946 1.00 0.00 H new ATOM 1084 N LYS A 68 -2.081 -8.964 -7.762 1.00 0.00 N ATOM 1085 CA LYS A 68 -1.744 -9.423 -9.099 1.00 0.00 C ATOM 1086 C LYS A 68 -2.624 -10.623 -9.457 1.00 0.00 C ATOM 1087 O LYS A 68 -3.415 -10.558 -10.397 1.00 0.00 O ATOM 1088 CB LYS A 68 -0.245 -9.707 -9.207 1.00 0.00 C ATOM 1089 CG LYS A 68 0.560 -8.405 -9.213 1.00 0.00 C ATOM 1090 CD LYS A 68 0.968 -8.020 -10.636 1.00 0.00 C ATOM 1091 CE LYS A 68 1.695 -6.674 -10.653 1.00 0.00 C ATOM 1092 NZ LYS A 68 2.022 -6.278 -12.041 1.00 0.00 N ATOM 0 H LYS A 68 -1.373 -9.159 -7.054 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.950 -8.644 -9.833 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.072 -10.331 -8.371 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.042 -10.269 -10.119 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -0.033 -7.604 -8.772 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.450 -8.520 -8.594 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.614 -8.792 -11.054 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.083 -7.967 -11.270 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.070 -5.911 -10.189 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.609 -6.740 -10.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 2.515 -5.362 -12.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.636 -6.998 -12.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 1.145 -6.195 -12.594 1.00 0.00 H new ATOM 1106 N VAL A 69 -2.456 -11.690 -8.690 1.00 0.00 N ATOM 1107 CA VAL A 69 -3.225 -12.902 -8.915 1.00 0.00 C ATOM 1108 C VAL A 69 -4.718 -12.577 -8.832 1.00 0.00 C ATOM 1109 O VAL A 69 -5.502 -13.031 -9.664 1.00 0.00 O ATOM 1110 CB VAL A 69 -2.793 -13.987 -7.926 1.00 0.00 C ATOM 1111 CG1 VAL A 69 -1.270 -14.032 -7.792 1.00 0.00 C ATOM 1112 CG2 VAL A 69 -3.457 -13.781 -6.563 1.00 0.00 C ATOM 0 H VAL A 69 -1.798 -11.740 -7.912 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.034 -13.296 -9.913 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.123 -14.949 -8.318 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.990 -14.811 -7.083 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.826 -14.248 -8.764 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.908 -13.069 -7.433 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.134 -14.565 -5.878 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.171 -12.809 -6.162 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.540 -13.822 -6.676 1.00 0.00 H new ATOM 1122 N HIS A 70 -5.065 -11.793 -7.822 1.00 0.00 N ATOM 1123 CA HIS A 70 -6.449 -11.402 -7.620 1.00 0.00 C ATOM 1124 C HIS A 70 -7.087 -11.058 -8.967 1.00 0.00 C ATOM 1125 O HIS A 70 -8.115 -11.626 -9.334 1.00 0.00 O ATOM 1126 CB HIS A 70 -6.549 -10.259 -6.608 1.00 0.00 C ATOM 1127 CG HIS A 70 -6.245 -10.669 -5.187 1.00 0.00 C ATOM 1128 ND1 HIS A 70 -5.559 -11.740 -4.695 1.00 0.00 N flip ATOM 1129 CD2 HIS A 70 -6.665 -9.937 -4.089 1.00 0.00 C flip ATOM 1130 CE1 HIS A 70 -5.559 -11.667 -3.370 1.00 0.00 C flip ATOM 1131 NE2 HIS A 70 -6.245 -10.550 -2.992 1.00 0.00 N flip ATOM 0 H HIS A 70 -4.411 -11.418 -7.135 1.00 0.00 H new ATOM 0 HA HIS A 70 -7.007 -12.236 -7.195 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -5.861 -9.466 -6.902 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.554 -9.840 -6.647 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -7.238 -9.022 -4.121 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -5.093 -12.375 -2.701 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -6.406 -10.241 -2.033 1.00 0.00 H new ATOM 1139 N LEU A 71 -6.451 -10.131 -9.668 1.00 0.00 N ATOM 1140 CA LEU A 71 -6.944 -9.705 -10.966 1.00 0.00 C ATOM 1141 C LEU A 71 -7.307 -10.936 -11.799 1.00 0.00 C ATOM 1142 O LEU A 71 -8.397 -11.009 -12.363 1.00 0.00 O ATOM 1143 CB LEU A 71 -5.932 -8.780 -11.646 1.00 0.00 C ATOM 1144 CG LEU A 71 -5.848 -7.356 -11.092 1.00 0.00 C ATOM 1145 CD1 LEU A 71 -4.590 -6.645 -11.597 1.00 0.00 C ATOM 1146 CD2 LEU A 71 -7.119 -6.567 -11.412 1.00 0.00 C ATOM 0 H LEU A 71 -5.598 -9.663 -9.361 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.854 -9.117 -10.853 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.945 -9.237 -11.572 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.177 -8.722 -12.706 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.771 -7.416 -10.006 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.554 -5.635 -11.189 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.707 -7.197 -11.277 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.612 -6.596 -12.686 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.033 -5.559 -11.007 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.252 -6.514 -12.493 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.979 -7.065 -10.965 1.00 0.00 H new ATOM 1158 N ASP A 72 -6.372 -11.874 -11.848 1.00 0.00 N ATOM 1159 CA ASP A 72 -6.580 -13.099 -12.602 1.00 0.00 C ATOM 1160 C ASP A 72 -7.854 -13.787 -12.107 1.00 0.00 C ATOM 1161 O ASP A 72 -8.655 -14.268 -12.907 1.00 0.00 O ATOM 1162 CB ASP A 72 -5.413 -14.069 -12.409 1.00 0.00 C ATOM 1163 CG ASP A 72 -4.592 -14.352 -13.669 1.00 0.00 C ATOM 1164 OD1 ASP A 72 -5.201 -14.842 -14.644 1.00 0.00 O ATOM 1165 OD2 ASP A 72 -3.375 -14.072 -13.628 1.00 0.00 O ATOM 0 H ASP A 72 -5.469 -11.810 -11.378 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.660 -12.837 -13.657 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.749 -13.667 -11.644 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -5.804 -15.013 -12.029 1.00 0.00 H new ATOM 1170 N LEU A 73 -8.001 -13.813 -10.790 1.00 0.00 N ATOM 1171 CA LEU A 73 -9.164 -14.434 -10.180 1.00 0.00 C ATOM 1172 C LEU A 73 -10.417 -13.642 -10.556 1.00 0.00 C ATOM 1173 O LEU A 73 -11.470 -14.224 -10.811 1.00 0.00 O ATOM 1174 CB LEU A 73 -8.961 -14.583 -8.670 1.00 0.00 C ATOM 1175 CG LEU A 73 -7.542 -14.931 -8.216 1.00 0.00 C ATOM 1176 CD1 LEU A 73 -7.517 -15.303 -6.732 1.00 0.00 C ATOM 1177 CD2 LEU A 73 -6.939 -16.031 -9.092 1.00 0.00 C ATOM 0 H LEU A 73 -7.334 -13.414 -10.129 1.00 0.00 H new ATOM 0 HA LEU A 73 -9.300 -15.446 -10.562 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -9.256 -13.650 -8.190 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -9.638 -15.357 -8.307 1.00 0.00 H new ATOM 0 HG LEU A 73 -6.919 -14.045 -8.337 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -6.497 -15.546 -6.435 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -7.877 -14.462 -6.140 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.160 -16.167 -6.563 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -5.930 -16.259 -8.747 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -7.556 -16.927 -9.027 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -6.901 -15.692 -10.127 1.00 0.00 H new ATOM 1189 N TRP A 74 -10.262 -12.326 -10.579 1.00 0.00 N ATOM 1190 CA TRP A 74 -11.368 -11.448 -10.920 1.00 0.00 C ATOM 1191 C TRP A 74 -11.732 -11.692 -12.386 1.00 0.00 C ATOM 1192 O TRP A 74 -12.884 -11.522 -12.780 1.00 0.00 O ATOM 1193 CB TRP A 74 -11.020 -9.987 -10.626 1.00 0.00 C ATOM 1194 CG TRP A 74 -11.813 -8.978 -11.459 1.00 0.00 C ATOM 1195 CD1 TRP A 74 -13.019 -8.458 -11.195 1.00 0.00 C ATOM 1196 CD2 TRP A 74 -11.404 -8.386 -12.710 1.00 0.00 C ATOM 1197 NE1 TRP A 74 -13.416 -7.576 -12.180 1.00 0.00 N ATOM 1198 CE2 TRP A 74 -12.402 -7.531 -13.130 1.00 0.00 C ATOM 1199 CE3 TRP A 74 -10.229 -8.566 -13.460 1.00 0.00 C ATOM 1200 CZ2 TRP A 74 -12.327 -6.790 -14.315 1.00 0.00 C ATOM 1201 CZ3 TRP A 74 -10.169 -7.817 -14.642 1.00 0.00 C ATOM 1202 CH2 TRP A 74 -11.166 -6.953 -15.080 1.00 0.00 C ATOM 0 H TRP A 74 -9.387 -11.847 -10.367 1.00 0.00 H new ATOM 0 HA TRP A 74 -12.239 -11.669 -10.304 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -11.196 -9.788 -9.569 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -9.956 -9.834 -10.806 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -13.607 -8.699 -10.321 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -14.292 -7.054 -12.206 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -9.435 -9.229 -13.149 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -13.123 -6.128 -14.623 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -9.286 -7.918 -15.256 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -11.046 -6.410 -16.006 1.00 0.00 H new ATOM 1213 N VAL A 75 -10.726 -12.088 -13.153 1.00 0.00 N ATOM 1214 CA VAL A 75 -10.926 -12.357 -14.567 1.00 0.00 C ATOM 1215 C VAL A 75 -11.733 -13.647 -14.727 1.00 0.00 C ATOM 1216 O VAL A 75 -12.598 -13.738 -15.597 1.00 0.00 O ATOM 1217 CB VAL A 75 -9.576 -12.404 -15.286 1.00 0.00 C ATOM 1218 CG1 VAL A 75 -9.728 -12.967 -16.701 1.00 0.00 C ATOM 1219 CG2 VAL A 75 -8.921 -11.022 -15.313 1.00 0.00 C ATOM 0 H VAL A 75 -9.771 -12.229 -12.822 1.00 0.00 H new ATOM 0 HA VAL A 75 -11.500 -11.555 -15.031 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.922 -13.074 -14.728 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.754 -12.990 -17.190 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -10.132 -13.978 -16.649 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -10.407 -12.335 -17.273 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.963 -11.083 -15.830 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -9.571 -10.321 -15.837 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.761 -10.675 -14.292 1.00 0.00 H new ATOM 1229 N LYS A 76 -11.422 -14.612 -13.874 1.00 0.00 N ATOM 1230 CA LYS A 76 -12.107 -15.893 -13.910 1.00 0.00 C ATOM 1231 C LYS A 76 -13.587 -15.683 -13.582 1.00 0.00 C ATOM 1232 O LYS A 76 -14.407 -16.573 -13.803 1.00 0.00 O ATOM 1233 CB LYS A 76 -11.411 -16.899 -12.992 1.00 0.00 C ATOM 1234 CG LYS A 76 -9.920 -17.003 -13.323 1.00 0.00 C ATOM 1235 CD LYS A 76 -9.419 -18.438 -13.152 1.00 0.00 C ATOM 1236 CE LYS A 76 -8.166 -18.686 -13.995 1.00 0.00 C ATOM 1237 NZ LYS A 76 -7.967 -20.136 -14.214 1.00 0.00 N ATOM 0 H LYS A 76 -10.704 -14.532 -13.153 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.059 -16.323 -14.910 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.536 -16.595 -11.953 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.880 -17.877 -13.097 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.748 -16.674 -14.348 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.352 -16.336 -12.674 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.198 -18.627 -12.101 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -10.202 -19.138 -13.444 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -8.259 -18.177 -14.954 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -7.294 -18.265 -13.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -7.113 -20.286 -14.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -7.857 -20.614 -13.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -8.792 -20.528 -14.712 1.00 0.00 H new ATOM 1251 N SER A 77 -13.883 -14.502 -13.059 1.00 0.00 N ATOM 1252 CA SER A 77 -15.249 -14.165 -12.698 1.00 0.00 C ATOM 1253 C SER A 77 -15.850 -13.225 -13.746 1.00 0.00 C ATOM 1254 O SER A 77 -16.929 -12.670 -13.541 1.00 0.00 O ATOM 1255 CB SER A 77 -15.310 -13.522 -11.311 1.00 0.00 C ATOM 1256 OG SER A 77 -15.286 -14.495 -10.270 1.00 0.00 O ATOM 0 H SER A 77 -13.200 -13.767 -12.877 1.00 0.00 H new ATOM 0 HA SER A 77 -15.832 -15.086 -12.667 1.00 0.00 H new ATOM 0 HB2 SER A 77 -14.468 -12.841 -11.190 1.00 0.00 H new ATOM 0 HB3 SER A 77 -16.218 -12.925 -11.228 1.00 0.00 H new ATOM 0 HG SER A 77 -15.325 -14.045 -9.400 1.00 0.00 H new ATOM 1262 N LEU A 78 -15.126 -13.075 -14.845 1.00 0.00 N ATOM 1263 CA LEU A 78 -15.574 -12.212 -15.925 1.00 0.00 C ATOM 1264 C LEU A 78 -16.307 -13.052 -16.972 1.00 0.00 C ATOM 1265 O LEU A 78 -15.889 -14.166 -17.284 1.00 0.00 O ATOM 1266 CB LEU A 78 -14.401 -11.409 -16.491 1.00 0.00 C ATOM 1267 CG LEU A 78 -13.905 -10.247 -15.628 1.00 0.00 C ATOM 1268 CD1 LEU A 78 -12.769 -9.495 -16.323 1.00 0.00 C ATOM 1269 CD2 LEU A 78 -15.058 -9.318 -15.245 1.00 0.00 C ATOM 0 H LEU A 78 -14.232 -13.537 -15.011 1.00 0.00 H new ATOM 0 HA LEU A 78 -16.285 -11.474 -15.553 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.568 -12.091 -16.661 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -14.693 -11.014 -17.464 1.00 0.00 H new ATOM 0 HG LEU A 78 -13.501 -10.656 -14.702 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -12.435 -8.674 -15.689 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -11.938 -10.177 -16.503 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -13.124 -9.097 -17.274 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -14.678 -8.501 -14.632 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -15.514 -8.913 -16.148 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -15.805 -9.878 -14.682 1.00 0.00 H new ATOM 1281 N SER A 79 -17.389 -12.486 -17.487 1.00 0.00 N ATOM 1282 CA SER A 79 -18.184 -13.168 -18.493 1.00 0.00 C ATOM 1283 C SER A 79 -17.353 -13.384 -19.760 1.00 0.00 C ATOM 1284 O SER A 79 -16.182 -13.011 -19.809 1.00 0.00 O ATOM 1285 CB SER A 79 -19.455 -12.381 -18.819 1.00 0.00 C ATOM 1286 OG SER A 79 -19.678 -11.321 -17.893 1.00 0.00 O ATOM 0 H SER A 79 -17.733 -11.562 -17.226 1.00 0.00 H new ATOM 0 HA SER A 79 -18.483 -14.137 -18.093 1.00 0.00 H new ATOM 0 HB2 SER A 79 -19.380 -11.972 -19.827 1.00 0.00 H new ATOM 0 HB3 SER A 79 -20.311 -13.055 -18.811 1.00 0.00 H new ATOM 0 HG SER A 79 -19.696 -10.466 -18.372 1.00 0.00 H new ATOM 1292 N PRO A 80 -18.009 -13.999 -20.780 1.00 0.00 N ATOM 1293 CA PRO A 80 -17.344 -14.268 -22.043 1.00 0.00 C ATOM 1294 C PRO A 80 -17.193 -12.988 -22.867 1.00 0.00 C ATOM 1295 O PRO A 80 -16.413 -12.945 -23.817 1.00 0.00 O ATOM 1296 CB PRO A 80 -18.207 -15.316 -22.727 1.00 0.00 C ATOM 1297 CG PRO A 80 -19.561 -15.255 -22.039 1.00 0.00 C ATOM 1298 CD PRO A 80 -19.397 -14.454 -20.758 1.00 0.00 C ATOM 0 HA PRO A 80 -16.325 -14.633 -21.912 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -18.301 -15.109 -23.793 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -17.765 -16.308 -22.632 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -20.299 -14.787 -22.690 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -19.922 -16.259 -21.818 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -20.089 -13.613 -20.726 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -19.599 -15.067 -19.879 1.00 0.00 H new ATOM 1306 N GLN A 81 -17.952 -11.976 -22.473 1.00 0.00 N ATOM 1307 CA GLN A 81 -17.913 -10.698 -23.163 1.00 0.00 C ATOM 1308 C GLN A 81 -16.924 -9.754 -22.476 1.00 0.00 C ATOM 1309 O GLN A 81 -16.057 -9.175 -23.128 1.00 0.00 O ATOM 1310 CB GLN A 81 -19.307 -10.072 -23.238 1.00 0.00 C ATOM 1311 CG GLN A 81 -19.234 -8.632 -23.750 1.00 0.00 C ATOM 1312 CD GLN A 81 -20.616 -7.974 -23.734 1.00 0.00 C ATOM 1313 OE1 GLN A 81 -21.159 -7.635 -22.695 1.00 0.00 O ATOM 1314 NE2 GLN A 81 -21.152 -7.813 -24.940 1.00 0.00 N ATOM 0 H GLN A 81 -18.598 -12.015 -21.684 1.00 0.00 H new ATOM 0 HA GLN A 81 -17.573 -10.869 -24.184 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -19.941 -10.665 -23.898 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -19.770 -10.088 -22.252 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -18.546 -8.056 -23.131 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -18.834 -8.622 -24.764 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -20.643 -8.119 -25.769 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -22.072 -7.383 -25.036 1.00 0.00 H new ATOM 1323 N ASP A 82 -17.088 -9.627 -21.167 1.00 0.00 N ATOM 1324 CA ASP A 82 -16.221 -8.764 -20.384 1.00 0.00 C ATOM 1325 C ASP A 82 -14.766 -9.194 -20.582 1.00 0.00 C ATOM 1326 O ASP A 82 -13.922 -8.385 -20.965 1.00 0.00 O ATOM 1327 CB ASP A 82 -16.545 -8.864 -18.892 1.00 0.00 C ATOM 1328 CG ASP A 82 -17.879 -8.240 -18.477 1.00 0.00 C ATOM 1329 OD1 ASP A 82 -18.909 -8.921 -18.669 1.00 0.00 O ATOM 1330 OD2 ASP A 82 -17.838 -7.095 -17.976 1.00 0.00 O ATOM 0 H ASP A 82 -17.809 -10.108 -20.629 1.00 0.00 H new ATOM 0 HA ASP A 82 -16.376 -7.738 -20.718 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -16.548 -9.916 -18.606 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -15.745 -8.383 -18.329 1.00 0.00 H new ATOM 1335 N ARG A 83 -14.517 -10.467 -20.312 1.00 0.00 N ATOM 1336 CA ARG A 83 -13.179 -11.015 -20.455 1.00 0.00 C ATOM 1337 C ARG A 83 -12.655 -10.772 -21.872 1.00 0.00 C ATOM 1338 O ARG A 83 -11.488 -10.429 -22.056 1.00 0.00 O ATOM 1339 CB ARG A 83 -13.164 -12.517 -20.164 1.00 0.00 C ATOM 1340 CG ARG A 83 -11.864 -12.928 -19.470 1.00 0.00 C ATOM 1341 CD ARG A 83 -12.018 -14.283 -18.776 1.00 0.00 C ATOM 1342 NE ARG A 83 -10.776 -15.074 -18.930 1.00 0.00 N ATOM 1343 CZ ARG A 83 -10.497 -15.835 -19.997 1.00 0.00 C ATOM 1344 NH1 ARG A 83 -11.370 -15.913 -21.011 1.00 0.00 N ATOM 1345 NH2 ARG A 83 -9.346 -16.518 -20.050 1.00 0.00 N ATOM 0 H ARG A 83 -15.220 -11.135 -19.995 1.00 0.00 H new ATOM 0 HA ARG A 83 -12.536 -10.511 -19.734 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -14.015 -12.778 -19.534 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -13.275 -13.073 -21.095 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -11.058 -12.980 -20.202 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -11.583 -12.170 -18.738 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -12.237 -14.136 -17.718 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -12.861 -14.826 -19.204 1.00 0.00 H new ATOM 0 HE ARG A 83 -10.090 -15.037 -18.176 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -12.247 -15.393 -20.970 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -11.158 -16.492 -21.823 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -8.682 -16.459 -19.278 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -9.134 -17.097 -20.862 1.00 0.00 H new ATOM 1359 N ALA A 84 -13.543 -10.959 -22.837 1.00 0.00 N ATOM 1360 CA ALA A 84 -13.185 -10.764 -24.232 1.00 0.00 C ATOM 1361 C ALA A 84 -12.505 -9.403 -24.394 1.00 0.00 C ATOM 1362 O ALA A 84 -11.393 -9.319 -24.914 1.00 0.00 O ATOM 1363 CB ALA A 84 -14.435 -10.898 -25.104 1.00 0.00 C ATOM 0 H ALA A 84 -14.510 -11.244 -22.681 1.00 0.00 H new ATOM 0 HA ALA A 84 -12.478 -11.527 -24.557 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -14.166 -10.752 -26.150 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -14.864 -11.892 -24.975 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -15.167 -10.146 -24.809 1.00 0.00 H new ATOM 1369 N ALA A 85 -13.200 -8.372 -23.939 1.00 0.00 N ATOM 1370 CA ALA A 85 -12.677 -7.019 -24.027 1.00 0.00 C ATOM 1371 C ALA A 85 -11.353 -6.938 -23.264 1.00 0.00 C ATOM 1372 O ALA A 85 -10.299 -6.732 -23.863 1.00 0.00 O ATOM 1373 CB ALA A 85 -13.718 -6.033 -23.494 1.00 0.00 C ATOM 0 H ALA A 85 -14.121 -8.446 -23.508 1.00 0.00 H new ATOM 0 HA ALA A 85 -12.477 -6.752 -25.065 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -13.325 -5.018 -23.560 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -14.629 -6.109 -24.088 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -13.943 -6.268 -22.454 1.00 0.00 H new ATOM 1379 N TYR A 86 -11.451 -7.105 -21.953 1.00 0.00 N ATOM 1380 CA TYR A 86 -10.275 -7.053 -21.102 1.00 0.00 C ATOM 1381 C TYR A 86 -9.072 -7.702 -21.790 1.00 0.00 C ATOM 1382 O TYR A 86 -8.002 -7.101 -21.874 1.00 0.00 O ATOM 1383 CB TYR A 86 -10.626 -7.858 -19.849 1.00 0.00 C ATOM 1384 CG TYR A 86 -9.509 -7.899 -18.804 1.00 0.00 C ATOM 1385 CD1 TYR A 86 -9.258 -6.792 -18.019 1.00 0.00 C ATOM 1386 CD2 TYR A 86 -8.754 -9.044 -18.645 1.00 0.00 C ATOM 1387 CE1 TYR A 86 -8.207 -6.831 -17.035 1.00 0.00 C ATOM 1388 CE2 TYR A 86 -7.703 -9.083 -17.661 1.00 0.00 C ATOM 1389 CZ TYR A 86 -7.482 -7.975 -16.905 1.00 0.00 C ATOM 1390 OH TYR A 86 -6.489 -8.011 -15.976 1.00 0.00 O ATOM 0 H TYR A 86 -12.327 -7.276 -21.460 1.00 0.00 H new ATOM 0 HA TYR A 86 -10.010 -6.020 -20.875 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -11.520 -7.432 -19.394 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -10.873 -8.878 -20.142 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -9.849 -5.897 -18.143 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -8.952 -9.911 -19.259 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -7.999 -5.972 -16.415 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -7.104 -9.972 -17.527 1.00 0.00 H new ATOM 0 HH TYR A 86 -6.056 -8.890 -15.993 1.00 0.00 H new ATOM 1400 N LYS A 87 -9.288 -8.920 -22.265 1.00 0.00 N ATOM 1401 CA LYS A 87 -8.234 -9.656 -22.943 1.00 0.00 C ATOM 1402 C LYS A 87 -7.675 -8.804 -24.083 1.00 0.00 C ATOM 1403 O LYS A 87 -6.460 -8.699 -24.247 1.00 0.00 O ATOM 1404 CB LYS A 87 -8.743 -11.027 -23.392 1.00 0.00 C ATOM 1405 CG LYS A 87 -8.161 -12.141 -22.519 1.00 0.00 C ATOM 1406 CD LYS A 87 -7.115 -12.951 -23.289 1.00 0.00 C ATOM 1407 CE LYS A 87 -5.846 -13.140 -22.456 1.00 0.00 C ATOM 1408 NZ LYS A 87 -6.039 -14.211 -21.453 1.00 0.00 N ATOM 0 H LYS A 87 -10.177 -9.415 -22.194 1.00 0.00 H new ATOM 0 HA LYS A 87 -7.408 -9.856 -22.260 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.831 -11.050 -23.339 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.471 -11.197 -24.434 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.707 -11.709 -21.627 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -8.961 -12.800 -22.183 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.527 -13.924 -23.556 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -6.870 -12.442 -24.221 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -5.010 -13.391 -23.108 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -5.590 -12.206 -21.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -5.168 -14.326 -20.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -6.824 -13.956 -20.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -6.261 -15.104 -21.937 1.00 0.00 H new ATOM 1422 N GLU A 88 -8.588 -8.217 -24.843 1.00 0.00 N ATOM 1423 CA GLU A 88 -8.200 -7.377 -25.964 1.00 0.00 C ATOM 1424 C GLU A 88 -7.048 -6.453 -25.562 1.00 0.00 C ATOM 1425 O GLU A 88 -6.134 -6.216 -26.351 1.00 0.00 O ATOM 1426 CB GLU A 88 -9.393 -6.571 -26.483 1.00 0.00 C ATOM 1427 CG GLU A 88 -9.354 -5.134 -25.960 1.00 0.00 C ATOM 1428 CD GLU A 88 -10.617 -4.370 -26.361 1.00 0.00 C ATOM 1429 OE1 GLU A 88 -11.712 -4.856 -26.004 1.00 0.00 O ATOM 1430 OE2 GLU A 88 -10.460 -3.317 -27.016 1.00 0.00 O ATOM 0 H GLU A 88 -9.595 -8.306 -24.705 1.00 0.00 H new ATOM 0 HA GLU A 88 -7.858 -8.021 -26.774 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.386 -6.565 -27.573 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -10.322 -7.049 -26.173 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.258 -5.141 -24.874 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -8.475 -4.623 -26.354 1.00 0.00 H new ATOM 1437 N TYR A 89 -7.130 -5.957 -24.337 1.00 0.00 N ATOM 1438 CA TYR A 89 -6.105 -5.065 -23.821 1.00 0.00 C ATOM 1439 C TYR A 89 -4.897 -5.854 -23.312 1.00 0.00 C ATOM 1440 O TYR A 89 -3.754 -5.457 -23.533 1.00 0.00 O ATOM 1441 CB TYR A 89 -6.745 -4.322 -22.647 1.00 0.00 C ATOM 1442 CG TYR A 89 -5.736 -3.694 -21.683 1.00 0.00 C ATOM 1443 CD1 TYR A 89 -5.142 -2.488 -21.996 1.00 0.00 C ATOM 1444 CD2 TYR A 89 -5.421 -4.333 -20.501 1.00 0.00 C ATOM 1445 CE1 TYR A 89 -4.193 -1.897 -21.089 1.00 0.00 C ATOM 1446 CE2 TYR A 89 -4.471 -3.741 -19.595 1.00 0.00 C ATOM 1447 CZ TYR A 89 -3.904 -2.553 -19.934 1.00 0.00 C ATOM 1448 OH TYR A 89 -3.007 -1.994 -19.077 1.00 0.00 O ATOM 0 H TYR A 89 -7.890 -6.155 -23.686 1.00 0.00 H new ATOM 0 HA TYR A 89 -5.755 -4.390 -24.602 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -7.395 -3.539 -23.037 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -7.378 -5.015 -22.093 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -5.389 -1.988 -22.921 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -5.887 -5.276 -20.256 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -3.721 -0.954 -21.321 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -4.215 -4.230 -18.667 1.00 0.00 H new ATOM 0 HH TYR A 89 -2.899 -2.572 -18.293 1.00 0.00 H new ATOM 1458 N ILE A 90 -5.191 -6.958 -22.640 1.00 0.00 N ATOM 1459 CA ILE A 90 -4.143 -7.806 -22.098 1.00 0.00 C ATOM 1460 C ILE A 90 -3.110 -8.092 -23.189 1.00 0.00 C ATOM 1461 O ILE A 90 -1.963 -7.656 -23.092 1.00 0.00 O ATOM 1462 CB ILE A 90 -4.744 -9.067 -21.474 1.00 0.00 C ATOM 1463 CG1 ILE A 90 -5.696 -8.712 -20.329 1.00 0.00 C ATOM 1464 CG2 ILE A 90 -3.646 -10.034 -21.027 1.00 0.00 C ATOM 1465 CD1 ILE A 90 -4.920 -8.246 -19.096 1.00 0.00 C ATOM 0 H ILE A 90 -6.140 -7.285 -22.459 1.00 0.00 H new ATOM 0 HA ILE A 90 -3.620 -7.296 -21.289 1.00 0.00 H new ATOM 0 HB ILE A 90 -5.333 -9.578 -22.236 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.381 -7.927 -20.650 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.304 -9.580 -20.074 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -4.100 -10.922 -20.587 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -3.043 -10.323 -21.888 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -3.011 -9.547 -20.287 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.620 -8.000 -18.297 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -4.254 -9.042 -18.763 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -4.332 -7.363 -19.348 1.00 0.00 H new