USER MOD reduce.3.24.130724 H: found=0, std=0, add=942, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 933 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 20 HIS : no HD1:sc= 0.487 K(o=2.7,f=-0.77) USER MOD Set 1.2: A 22 GLN :FLIP amide:sc= 0.377 F(o=-0.71,f=2.7) USER MOD Set 1.3: A 57 SER OG : rot -120:sc= 0.828 USER MOD Set 1.4: A 59 LYS NZ :NH3+ 173:sc= 0.844 (180deg=0) USER MOD Set 1.5: B 119 A O2' : rot 4:sc= 0.122 USER MOD Set 2.1: A 35 HIS : no HE2:sc= 0.152 K(o=1.5,f=-11!) USER MOD Set 2.2: B 115 U O2' : rot 130:sc= 1.36 USER MOD Set 3.1: A 109 ASN : amide:sc= 0.674 K(o=1.4,f=-2.1) USER MOD Set 3.2: A 112 LYS NZ :NH3+ 151:sc= 0.763 (180deg=0) USER MOD Set 4.1: A 70 LYS NZ :NH3+ 157:sc= 0.198 (180deg=0) USER MOD Set 4.2: B 119 A O3' : rot -151:sc= 1.6 USER MOD Set 5.1: A 30 ASN : amide:sc= 0.0851 K(o=-0.062,f=-2.1!) USER MOD Set 5.2: A 76 SER OG : rot -120:sc= -0.147 USER MOD Single : A 1 MET CE :methyl 162:sc= -0.0407 (180deg=-0.395) USER MOD Single : A 1 MET N :NH3+ 140:sc= -0.046 (180deg=-0.298) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= -0.327 X(o=-0.33,f=-0.39) USER MOD Single : A 6 HIS : no HD1:sc= -0.0174 X(o=-0.017,f=-0.34) USER MOD Single : A 7 HIS : no HD1:sc= -0.0102 K(o=-0.01,f=-0.84) USER MOD Single : A 8 HIS : no HD1:sc= 0.444 K(o=0.44,f=-2.3!) USER MOD Single : A 9 HIS : no HD1:sc= -0.0455 X(o=-0.045,f=-0.47) USER MOD Single : A 10 HIS : no HD1:sc= -0.0573 X(o=-0.057,f=-0.057) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot -20:sc= 0.255 USER MOD Single : A 19 SER OG : rot 180:sc= 0.115 USER MOD Single : A 21 MET CE :methyl -162:sc= -0.0179 (180deg=-0.395) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 59:sc= 0.86 USER MOD Single : A 38 GLN : amide:sc= 0.546 K(o=0.55,f=-5.7!) USER MOD Single : A 43 GLN : amide:sc= -0.255 K(o=-0.25,f=-1.9) USER MOD Single : A 47 GLN : amide:sc= -0.0748 K(o=-0.075,f=-1.3) USER MOD Single : A 48 MET CE :methyl 164:sc= -0.0186 (180deg=-0.292) USER MOD Single : A 50 MET CE :methyl -177:sc= -0.0749 (180deg=-0.105) USER MOD Single : A 54 ASN : amide:sc= 0.658 K(o=0.66,f=-0.55) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN :FLIP amide:sc= -0.0354 F(o=-0.69,f=-0.035) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.118 USER MOD Single : A 67 ASN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 69 SER OG : rot 180:sc= 0.272 USER MOD Single : A 71 CYS SG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot -153:sc= 0.682 USER MOD Single : A 79 ASN : amide:sc= 0.155 X(o=0.16,f=-0.00097) USER MOD Single : A 82 SER OG : rot -93:sc= 1.19 USER MOD Single : A 84 GLN : amide:sc= -0.308 X(o=-0.31,f=-0.75) USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 90 MET CE :methyl -172:sc= -0.649 (180deg=-0.939) USER MOD Single : A 91 ASN : amide:sc=-0.00298 K(o=-0.003,f=-1.6) USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 97 MET CE :methyl -166:sc= -0.0101 (180deg=-0.256) USER MOD Single : A 98 LYS NZ :NH3+ -174:sc= 1.29 (180deg=1.19) USER MOD Single : A 101 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0449) USER MOD Single : A 103 GLN :FLIP amide:sc= 0 F(o=-0.67,f=0) USER MOD Single : A 105 LYS NZ :NH3+ 177:sc= 0.861 (180deg=0.806) USER MOD Single : A 107 SER OG : rot 180:sc= -0.0251 USER MOD Single : A 108 LYS NZ :NH3+ 164:sc= -0.0415 (180deg=-0.33) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : B 115 U O5' : rot 180:sc= 0 USER MOD Single : B 116 U O2' : rot -32:sc= 1.16 USER MOD Single : B 117 U O2' : rot 27:sc= 0.116 USER MOD Single : B 118 A O2' : rot 83:sc= 1.79 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 23.356 40.626 -5.874 1.00 0.00 N ATOM 2 CA MET A 1 22.912 39.224 -6.000 1.00 0.00 C ATOM 3 C MET A 1 23.401 38.621 -7.313 1.00 0.00 C ATOM 4 O MET A 1 23.912 39.335 -8.180 1.00 0.00 O ATOM 5 CB MET A 1 21.390 39.118 -5.853 1.00 0.00 C ATOM 6 CG MET A 1 20.618 39.917 -6.907 1.00 0.00 C ATOM 7 SD MET A 1 20.621 39.227 -8.585 1.00 0.00 S ATOM 8 CE MET A 1 19.690 37.698 -8.302 1.00 0.00 C ATOM 0 H1 MET A 1 22.590 41.197 -5.463 1.00 0.00 H new ATOM 0 H2 MET A 1 24.192 40.671 -5.256 1.00 0.00 H new ATOM 0 H3 MET A 1 23.600 40.999 -6.814 1.00 0.00 H new ATOM 0 HA MET A 1 23.355 38.645 -5.190 1.00 0.00 H new ATOM 0 HB2 MET A 1 21.099 38.070 -5.918 1.00 0.00 H new ATOM 0 HB3 MET A 1 21.103 39.468 -4.861 1.00 0.00 H new ATOM 0 HG2 MET A 1 19.584 40.013 -6.576 1.00 0.00 H new ATOM 0 HG3 MET A 1 21.034 40.924 -6.948 1.00 0.00 H new ATOM 0 HE1 MET A 1 19.323 37.314 -9.254 1.00 0.00 H new ATOM 0 HE2 MET A 1 20.340 36.957 -7.838 1.00 0.00 H new ATOM 0 HE3 MET A 1 18.845 37.903 -7.644 1.00 0.00 H new ATOM 20 N GLY A 2 23.251 37.303 -7.464 1.00 0.00 N ATOM 21 CA GLY A 2 23.672 36.598 -8.668 1.00 0.00 C ATOM 22 C GLY A 2 23.352 35.112 -8.578 1.00 0.00 C ATOM 23 O GLY A 2 22.779 34.653 -7.588 1.00 0.00 O ATOM 0 H GLY A 2 22.835 36.699 -6.755 1.00 0.00 H new ATOM 0 HA2 GLY A 2 23.174 37.028 -9.537 1.00 0.00 H new ATOM 0 HA3 GLY A 2 24.743 36.733 -8.816 1.00 0.00 H new ATOM 27 N SER A 3 23.721 34.355 -9.613 1.00 0.00 N ATOM 28 CA SER A 3 23.486 32.917 -9.658 1.00 0.00 C ATOM 29 C SER A 3 24.335 32.185 -8.621 1.00 0.00 C ATOM 30 O SER A 3 25.372 32.692 -8.188 1.00 0.00 O ATOM 31 CB SER A 3 23.772 32.406 -11.072 1.00 0.00 C ATOM 32 OG SER A 3 23.565 31.013 -11.142 1.00 0.00 O ATOM 0 H SER A 3 24.190 34.724 -10.440 1.00 0.00 H new ATOM 0 HA SER A 3 22.443 32.717 -9.411 1.00 0.00 H new ATOM 0 HB2 SER A 3 23.124 32.913 -11.787 1.00 0.00 H new ATOM 0 HB3 SER A 3 24.799 32.642 -11.350 1.00 0.00 H new ATOM 0 HG SER A 3 23.750 30.700 -12.052 1.00 0.00 H new ATOM 38 N SER A 4 23.900 30.990 -8.219 1.00 0.00 N ATOM 39 CA SER A 4 24.593 30.181 -7.230 1.00 0.00 C ATOM 40 C SER A 4 24.252 28.705 -7.415 1.00 0.00 C ATOM 41 O SER A 4 23.210 28.375 -7.983 1.00 0.00 O ATOM 42 CB SER A 4 24.214 30.661 -5.828 1.00 0.00 C ATOM 43 OG SER A 4 24.860 29.874 -4.851 1.00 0.00 O ATOM 0 H SER A 4 23.049 30.557 -8.577 1.00 0.00 H new ATOM 0 HA SER A 4 25.670 30.291 -7.361 1.00 0.00 H new ATOM 0 HB2 SER A 4 24.494 31.707 -5.706 1.00 0.00 H new ATOM 0 HB3 SER A 4 23.134 30.603 -5.696 1.00 0.00 H new ATOM 0 HG SER A 4 24.611 30.192 -3.958 1.00 0.00 H new ATOM 49 N HIS A 5 25.131 27.818 -6.931 1.00 0.00 N ATOM 50 CA HIS A 5 24.954 26.378 -7.044 1.00 0.00 C ATOM 51 C HIS A 5 25.725 25.657 -5.939 1.00 0.00 C ATOM 52 O HIS A 5 26.664 26.213 -5.369 1.00 0.00 O ATOM 53 CB HIS A 5 25.429 25.916 -8.427 1.00 0.00 C ATOM 54 CG HIS A 5 25.288 24.431 -8.635 1.00 0.00 C ATOM 55 ND1 HIS A 5 24.083 23.727 -8.679 1.00 0.00 N ATOM 56 CD2 HIS A 5 26.320 23.562 -8.842 1.00 0.00 C ATOM 57 CE1 HIS A 5 24.422 22.447 -8.900 1.00 0.00 C ATOM 58 NE2 HIS A 5 25.756 22.320 -9.005 1.00 0.00 N ATOM 0 H HIS A 5 25.988 28.089 -6.448 1.00 0.00 H new ATOM 0 HA HIS A 5 23.898 26.134 -6.930 1.00 0.00 H new ATOM 0 HB2 HIS A 5 24.859 26.440 -9.194 1.00 0.00 H new ATOM 0 HB3 HIS A 5 26.474 26.198 -8.558 1.00 0.00 H new ATOM 0 HD2 HIS A 5 27.372 23.803 -8.872 1.00 0.00 H new ATOM 0 HE1 HIS A 5 23.719 21.631 -8.982 1.00 0.00 H new ATOM 0 HE2 HIS A 5 26.262 21.451 -9.176 1.00 0.00 H new ATOM 66 N HIS A 6 25.326 24.421 -5.641 1.00 0.00 N ATOM 67 CA HIS A 6 25.959 23.601 -4.616 1.00 0.00 C ATOM 68 C HIS A 6 25.750 22.118 -4.918 1.00 0.00 C ATOM 69 O HIS A 6 24.813 21.744 -5.622 1.00 0.00 O ATOM 70 CB HIS A 6 25.389 23.950 -3.239 1.00 0.00 C ATOM 71 CG HIS A 6 23.897 23.750 -3.138 1.00 0.00 C ATOM 72 ND1 HIS A 6 22.927 24.552 -3.746 1.00 0.00 N ATOM 73 CD2 HIS A 6 23.280 22.775 -2.409 1.00 0.00 C ATOM 74 CE1 HIS A 6 21.749 24.030 -3.371 1.00 0.00 C ATOM 75 NE2 HIS A 6 21.928 22.965 -2.569 1.00 0.00 N ATOM 0 H HIS A 6 24.547 23.959 -6.110 1.00 0.00 H new ATOM 0 HA HIS A 6 27.030 23.805 -4.614 1.00 0.00 H new ATOM 0 HB2 HIS A 6 25.882 23.337 -2.484 1.00 0.00 H new ATOM 0 HB3 HIS A 6 25.625 24.989 -3.009 1.00 0.00 H new ATOM 0 HD2 HIS A 6 23.760 22.006 -1.822 1.00 0.00 H new ATOM 0 HE1 HIS A 6 20.786 24.414 -3.673 1.00 0.00 H new ATOM 0 HE2 HIS A 6 21.190 22.398 -2.152 1.00 0.00 H new ATOM 83 N HIS A 7 26.631 21.270 -4.379 1.00 0.00 N ATOM 84 CA HIS A 7 26.566 19.829 -4.580 1.00 0.00 C ATOM 85 C HIS A 7 25.404 19.214 -3.804 1.00 0.00 C ATOM 86 O HIS A 7 24.910 19.796 -2.839 1.00 0.00 O ATOM 87 CB HIS A 7 27.891 19.188 -4.158 1.00 0.00 C ATOM 88 CG HIS A 7 29.087 19.749 -4.878 1.00 0.00 C ATOM 89 ND1 HIS A 7 29.627 21.024 -4.678 1.00 0.00 N ATOM 90 CD2 HIS A 7 29.835 19.084 -5.809 1.00 0.00 C ATOM 91 CE1 HIS A 7 30.680 21.096 -5.503 1.00 0.00 C ATOM 92 NE2 HIS A 7 30.830 19.952 -6.194 1.00 0.00 N ATOM 0 H HIS A 7 27.409 21.569 -3.791 1.00 0.00 H new ATOM 0 HA HIS A 7 26.395 19.636 -5.639 1.00 0.00 H new ATOM 0 HB2 HIS A 7 28.026 19.325 -3.085 1.00 0.00 H new ATOM 0 HB3 HIS A 7 27.839 18.114 -4.338 1.00 0.00 H new ATOM 0 HD2 HIS A 7 29.676 18.079 -6.170 1.00 0.00 H new ATOM 0 HE1 HIS A 7 31.323 21.958 -5.600 1.00 0.00 H new ATOM 0 HE2 HIS A 7 31.556 19.761 -6.884 1.00 0.00 H new ATOM 100 N HIS A 8 24.967 18.029 -4.235 1.00 0.00 N ATOM 101 CA HIS A 8 23.894 17.292 -3.582 1.00 0.00 C ATOM 102 C HIS A 8 24.348 16.746 -2.229 1.00 0.00 C ATOM 103 O HIS A 8 25.544 16.574 -1.990 1.00 0.00 O ATOM 104 CB HIS A 8 23.437 16.153 -4.496 1.00 0.00 C ATOM 105 CG HIS A 8 24.561 15.238 -4.915 1.00 0.00 C ATOM 106 ND1 HIS A 8 25.576 15.562 -5.816 1.00 0.00 N ATOM 107 CD2 HIS A 8 24.738 13.954 -4.487 1.00 0.00 C ATOM 108 CE1 HIS A 8 26.343 14.463 -5.904 1.00 0.00 C ATOM 109 NE2 HIS A 8 25.864 13.482 -5.119 1.00 0.00 N ATOM 0 H HIS A 8 25.353 17.555 -5.052 1.00 0.00 H new ATOM 0 HA HIS A 8 23.059 17.968 -3.400 1.00 0.00 H new ATOM 0 HB2 HIS A 8 22.674 15.568 -3.983 1.00 0.00 H new ATOM 0 HB3 HIS A 8 22.970 16.575 -5.386 1.00 0.00 H new ATOM 0 HD2 HIS A 8 24.115 13.415 -3.789 1.00 0.00 H new ATOM 0 HE1 HIS A 8 27.225 14.379 -6.522 1.00 0.00 H new ATOM 0 HE2 HIS A 8 26.266 12.551 -5.011 1.00 0.00 H new ATOM 117 N HIS A 9 23.387 16.470 -1.342 1.00 0.00 N ATOM 118 CA HIS A 9 23.681 15.929 -0.019 1.00 0.00 C ATOM 119 C HIS A 9 22.492 15.153 0.548 1.00 0.00 C ATOM 120 O HIS A 9 22.687 14.218 1.322 1.00 0.00 O ATOM 121 CB HIS A 9 24.056 17.098 0.899 1.00 0.00 C ATOM 122 CG HIS A 9 24.383 16.686 2.311 1.00 0.00 C ATOM 123 ND1 HIS A 9 23.445 16.396 3.310 1.00 0.00 N ATOM 124 CD2 HIS A 9 25.641 16.554 2.820 1.00 0.00 C ATOM 125 CE1 HIS A 9 24.171 16.085 4.398 1.00 0.00 C ATOM 126 NE2 HIS A 9 25.487 16.173 4.133 1.00 0.00 N ATOM 0 H HIS A 9 22.393 16.615 -1.522 1.00 0.00 H new ATOM 0 HA HIS A 9 24.509 15.224 -0.090 1.00 0.00 H new ATOM 0 HB2 HIS A 9 24.915 17.619 0.475 1.00 0.00 H new ATOM 0 HB3 HIS A 9 23.230 17.809 0.921 1.00 0.00 H new ATOM 0 HD2 HIS A 9 26.572 16.716 2.297 1.00 0.00 H new ATOM 0 HE1 HIS A 9 23.755 15.803 5.354 1.00 0.00 H new ATOM 0 HE2 HIS A 9 26.242 15.989 4.793 1.00 0.00 H new ATOM 134 N HIS A 10 21.265 15.523 0.170 1.00 0.00 N ATOM 135 CA HIS A 10 20.061 14.846 0.637 1.00 0.00 C ATOM 136 C HIS A 10 19.855 13.508 -0.077 1.00 0.00 C ATOM 137 O HIS A 10 19.050 12.690 0.366 1.00 0.00 O ATOM 138 CB HIS A 10 18.863 15.770 0.413 1.00 0.00 C ATOM 139 CG HIS A 10 17.574 15.215 0.955 1.00 0.00 C ATOM 140 ND1 HIS A 10 17.280 15.028 2.308 1.00 0.00 N ATOM 141 CD2 HIS A 10 16.495 14.846 0.206 1.00 0.00 C ATOM 142 CE1 HIS A 10 16.028 14.543 2.340 1.00 0.00 C ATOM 143 NE2 HIS A 10 15.534 14.419 1.094 1.00 0.00 N ATOM 0 H HIS A 10 21.083 16.299 -0.467 1.00 0.00 H new ATOM 0 HA HIS A 10 20.166 14.625 1.699 1.00 0.00 H new ATOM 0 HB2 HIS A 10 19.062 16.733 0.884 1.00 0.00 H new ATOM 0 HB3 HIS A 10 18.750 15.955 -0.655 1.00 0.00 H new ATOM 0 HD2 HIS A 10 16.412 14.882 -0.870 1.00 0.00 H new ATOM 0 HE1 HIS A 10 15.491 14.288 3.242 1.00 0.00 H new ATOM 0 HE2 HIS A 10 14.607 14.069 0.850 1.00 0.00 H new ATOM 151 N SER A 11 20.578 13.285 -1.178 1.00 0.00 N ATOM 152 CA SER A 11 20.480 12.057 -1.955 1.00 0.00 C ATOM 153 C SER A 11 21.070 10.877 -1.187 1.00 0.00 C ATOM 154 O SER A 11 21.882 11.061 -0.279 1.00 0.00 O ATOM 155 CB SER A 11 21.206 12.233 -3.288 1.00 0.00 C ATOM 156 OG SER A 11 20.592 13.265 -4.032 1.00 0.00 O ATOM 0 H SER A 11 21.248 13.956 -1.553 1.00 0.00 H new ATOM 0 HA SER A 11 19.427 11.847 -2.141 1.00 0.00 H new ATOM 0 HB2 SER A 11 22.255 12.472 -3.113 1.00 0.00 H new ATOM 0 HB3 SER A 11 21.182 11.301 -3.852 1.00 0.00 H new ATOM 0 HG SER A 11 21.061 13.377 -4.885 1.00 0.00 H new ATOM 162 N SER A 12 20.665 9.658 -1.555 1.00 0.00 N ATOM 163 CA SER A 12 21.144 8.439 -0.913 1.00 0.00 C ATOM 164 C SER A 12 22.584 8.113 -1.325 1.00 0.00 C ATOM 165 O SER A 12 23.192 7.193 -0.779 1.00 0.00 O ATOM 166 CB SER A 12 20.199 7.290 -1.267 1.00 0.00 C ATOM 167 OG SER A 12 20.579 6.103 -0.602 1.00 0.00 O ATOM 0 H SER A 12 19.996 9.493 -2.307 1.00 0.00 H new ATOM 0 HA SER A 12 21.152 8.586 0.167 1.00 0.00 H new ATOM 0 HB2 SER A 12 19.178 7.555 -0.992 1.00 0.00 H new ATOM 0 HB3 SER A 12 20.206 7.126 -2.345 1.00 0.00 H new ATOM 0 HG SER A 12 21.515 6.171 -0.320 1.00 0.00 H new ATOM 173 N GLY A 13 23.135 8.859 -2.288 1.00 0.00 N ATOM 174 CA GLY A 13 24.498 8.670 -2.765 1.00 0.00 C ATOM 175 C GLY A 13 24.622 7.496 -3.735 1.00 0.00 C ATOM 176 O GLY A 13 25.715 7.228 -4.235 1.00 0.00 O ATOM 0 H GLY A 13 22.639 9.616 -2.759 1.00 0.00 H new ATOM 0 HA2 GLY A 13 24.836 9.581 -3.258 1.00 0.00 H new ATOM 0 HA3 GLY A 13 25.158 8.504 -1.913 1.00 0.00 H new ATOM 180 N LEU A 14 23.518 6.796 -4.008 1.00 0.00 N ATOM 181 CA LEU A 14 23.503 5.669 -4.928 1.00 0.00 C ATOM 182 C LEU A 14 23.717 6.159 -6.362 1.00 0.00 C ATOM 183 O LEU A 14 23.221 7.219 -6.738 1.00 0.00 O ATOM 184 CB LEU A 14 22.176 4.919 -4.775 1.00 0.00 C ATOM 185 CG LEU A 14 22.021 3.759 -5.767 1.00 0.00 C ATOM 186 CD1 LEU A 14 23.069 2.678 -5.505 1.00 0.00 C ATOM 187 CD2 LEU A 14 20.634 3.143 -5.599 1.00 0.00 C ATOM 0 H LEU A 14 22.609 7.000 -3.593 1.00 0.00 H new ATOM 0 HA LEU A 14 24.316 4.982 -4.695 1.00 0.00 H new ATOM 0 HB2 LEU A 14 22.099 4.532 -3.759 1.00 0.00 H new ATOM 0 HB3 LEU A 14 21.352 5.619 -4.913 1.00 0.00 H new ATOM 0 HG LEU A 14 22.153 4.145 -6.778 1.00 0.00 H new ATOM 0 HD11 LEU A 14 22.940 1.865 -6.220 1.00 0.00 H new ATOM 0 HD12 LEU A 14 24.066 3.104 -5.615 1.00 0.00 H new ATOM 0 HD13 LEU A 14 22.949 2.293 -4.492 1.00 0.00 H new ATOM 0 HD21 LEU A 14 20.515 2.317 -6.301 1.00 0.00 H new ATOM 0 HD22 LEU A 14 20.521 2.772 -4.580 1.00 0.00 H new ATOM 0 HD23 LEU A 14 19.874 3.899 -5.796 1.00 0.00 H new ATOM 199 N VAL A 15 24.456 5.387 -7.164 1.00 0.00 N ATOM 200 CA VAL A 15 24.726 5.736 -8.551 1.00 0.00 C ATOM 201 C VAL A 15 23.457 5.675 -9.407 1.00 0.00 C ATOM 202 O VAL A 15 22.703 4.708 -9.312 1.00 0.00 O ATOM 203 CB VAL A 15 25.870 4.865 -9.091 1.00 0.00 C ATOM 204 CG1 VAL A 15 25.416 3.434 -9.386 1.00 0.00 C ATOM 205 CG2 VAL A 15 26.454 5.457 -10.371 1.00 0.00 C ATOM 0 H VAL A 15 24.879 4.508 -6.867 1.00 0.00 H new ATOM 0 HA VAL A 15 25.056 6.774 -8.603 1.00 0.00 H new ATOM 0 HB VAL A 15 26.629 4.842 -8.309 1.00 0.00 H new ATOM 0 HG11 VAL A 15 26.259 2.856 -9.766 1.00 0.00 H new ATOM 0 HG12 VAL A 15 25.044 2.974 -8.470 1.00 0.00 H new ATOM 0 HG13 VAL A 15 24.622 3.451 -10.132 1.00 0.00 H new ATOM 0 HG21 VAL A 15 27.262 4.820 -10.731 1.00 0.00 H new ATOM 0 HG22 VAL A 15 25.675 5.520 -11.131 1.00 0.00 H new ATOM 0 HG23 VAL A 15 26.842 6.455 -10.166 1.00 0.00 H new ATOM 215 N PRO A 16 23.199 6.688 -10.250 1.00 0.00 N ATOM 216 CA PRO A 16 22.026 6.725 -11.109 1.00 0.00 C ATOM 217 C PRO A 16 22.141 5.750 -12.280 1.00 0.00 C ATOM 218 O PRO A 16 21.154 5.531 -12.984 1.00 0.00 O ATOM 219 CB PRO A 16 21.959 8.167 -11.609 1.00 0.00 C ATOM 220 CG PRO A 16 23.428 8.581 -11.656 1.00 0.00 C ATOM 221 CD PRO A 16 24.006 7.882 -10.427 1.00 0.00 C ATOM 0 HA PRO A 16 21.128 6.424 -10.570 1.00 0.00 H new ATOM 0 HB2 PRO A 16 21.489 8.233 -12.590 1.00 0.00 H new ATOM 0 HB3 PRO A 16 21.382 8.801 -10.936 1.00 0.00 H new ATOM 0 HG2 PRO A 16 23.913 8.253 -12.575 1.00 0.00 H new ATOM 0 HG3 PRO A 16 23.547 9.663 -11.601 1.00 0.00 H new ATOM 0 HD2 PRO A 16 25.056 7.629 -10.576 1.00 0.00 H new ATOM 0 HD3 PRO A 16 23.955 8.525 -9.548 1.00 0.00 H new ATOM 229 N ARG A 17 23.331 5.166 -12.487 1.00 0.00 N ATOM 230 CA ARG A 17 23.657 4.230 -13.561 1.00 0.00 C ATOM 231 C ARG A 17 23.502 4.827 -14.969 1.00 0.00 C ATOM 232 O ARG A 17 23.999 4.252 -15.936 1.00 0.00 O ATOM 233 CB ARG A 17 22.891 2.924 -13.306 1.00 0.00 C ATOM 234 CG ARG A 17 23.055 1.872 -14.403 1.00 0.00 C ATOM 235 CD ARG A 17 21.985 2.049 -15.480 1.00 0.00 C ATOM 236 NE ARG A 17 22.100 1.025 -16.526 1.00 0.00 N ATOM 237 CZ ARG A 17 22.806 1.172 -17.651 1.00 0.00 C ATOM 238 NH1 ARG A 17 23.501 2.281 -17.889 1.00 0.00 N ATOM 239 NH2 ARG A 17 22.817 0.192 -18.550 1.00 0.00 N ATOM 0 H ARG A 17 24.128 5.346 -11.877 1.00 0.00 H new ATOM 0 HA ARG A 17 24.722 3.999 -13.542 1.00 0.00 H new ATOM 0 HB2 ARG A 17 23.226 2.500 -12.359 1.00 0.00 H new ATOM 0 HB3 ARG A 17 21.831 3.154 -13.195 1.00 0.00 H new ATOM 0 HG2 ARG A 17 24.046 1.955 -14.850 1.00 0.00 H new ATOM 0 HG3 ARG A 17 22.983 0.874 -13.971 1.00 0.00 H new ATOM 0 HD2 ARG A 17 20.996 1.996 -15.024 1.00 0.00 H new ATOM 0 HD3 ARG A 17 22.077 3.039 -15.927 1.00 0.00 H new ATOM 0 HE ARG A 17 21.608 0.143 -16.384 1.00 0.00 H new ATOM 0 HH11 ARG A 17 23.501 3.039 -17.206 1.00 0.00 H new ATOM 0 HH12 ARG A 17 24.033 2.373 -18.754 1.00 0.00 H new ATOM 0 HH21 ARG A 17 22.289 -0.664 -18.378 1.00 0.00 H new ATOM 0 HH22 ARG A 17 23.353 0.296 -19.411 1.00 0.00 H new ATOM 253 N GLY A 18 22.824 5.968 -15.100 1.00 0.00 N ATOM 254 CA GLY A 18 22.659 6.661 -16.368 1.00 0.00 C ATOM 255 C GLY A 18 21.497 6.087 -17.180 1.00 0.00 C ATOM 256 O GLY A 18 21.195 4.898 -17.105 1.00 0.00 O ATOM 0 H GLY A 18 22.371 6.438 -14.317 1.00 0.00 H new ATOM 0 HA2 GLY A 18 22.485 7.721 -16.183 1.00 0.00 H new ATOM 0 HA3 GLY A 18 23.580 6.585 -16.947 1.00 0.00 H new ATOM 260 N SER A 19 20.846 6.949 -17.965 1.00 0.00 N ATOM 261 CA SER A 19 19.730 6.559 -18.812 1.00 0.00 C ATOM 262 C SER A 19 20.228 5.870 -20.075 1.00 0.00 C ATOM 263 O SER A 19 21.391 6.011 -20.453 1.00 0.00 O ATOM 264 CB SER A 19 18.924 7.809 -19.157 1.00 0.00 C ATOM 265 OG SER A 19 17.852 7.481 -20.015 1.00 0.00 O ATOM 0 H SER A 19 21.083 7.939 -18.027 1.00 0.00 H new ATOM 0 HA SER A 19 19.095 5.849 -18.282 1.00 0.00 H new ATOM 0 HB2 SER A 19 18.541 8.266 -18.245 1.00 0.00 H new ATOM 0 HB3 SER A 19 19.570 8.545 -19.636 1.00 0.00 H new ATOM 0 HG SER A 19 17.343 8.291 -20.227 1.00 0.00 H new ATOM 271 N HIS A 20 19.344 5.118 -20.735 1.00 0.00 N ATOM 272 CA HIS A 20 19.652 4.481 -22.009 1.00 0.00 C ATOM 273 C HIS A 20 19.609 5.507 -23.145 1.00 0.00 C ATOM 274 O HIS A 20 20.002 5.204 -24.271 1.00 0.00 O ATOM 275 CB HIS A 20 18.661 3.341 -22.244 1.00 0.00 C ATOM 276 CG HIS A 20 19.082 2.353 -23.304 1.00 0.00 C ATOM 277 ND1 HIS A 20 18.246 1.401 -23.891 1.00 0.00 N ATOM 278 CD2 HIS A 20 20.338 2.236 -23.832 1.00 0.00 C ATOM 279 CE1 HIS A 20 19.020 0.740 -24.771 1.00 0.00 C ATOM 280 NE2 HIS A 20 20.277 1.217 -24.753 1.00 0.00 N ATOM 0 H HIS A 20 18.398 4.936 -20.399 1.00 0.00 H new ATOM 0 HA HIS A 20 20.661 4.070 -21.985 1.00 0.00 H new ATOM 0 HB2 HIS A 20 18.513 2.806 -21.306 1.00 0.00 H new ATOM 0 HB3 HIS A 20 17.697 3.766 -22.524 1.00 0.00 H new ATOM 0 HD2 HIS A 20 21.205 2.827 -23.576 1.00 0.00 H new ATOM 0 HE1 HIS A 20 18.678 -0.064 -25.406 1.00 0.00 H new ATOM 0 HE2 HIS A 20 21.052 0.881 -25.324 1.00 0.00 H new ATOM 288 N MET A 21 19.135 6.724 -22.848 1.00 0.00 N ATOM 289 CA MET A 21 19.125 7.859 -23.763 1.00 0.00 C ATOM 290 C MET A 21 18.388 7.614 -25.082 1.00 0.00 C ATOM 291 O MET A 21 18.718 8.231 -26.094 1.00 0.00 O ATOM 292 CB MET A 21 20.548 8.386 -23.969 1.00 0.00 C ATOM 293 CG MET A 21 21.097 8.914 -22.643 1.00 0.00 C ATOM 294 SD MET A 21 22.830 9.432 -22.697 1.00 0.00 S ATOM 295 CE MET A 21 23.605 7.809 -22.929 1.00 0.00 C ATOM 0 H MET A 21 18.737 6.946 -21.935 1.00 0.00 H new ATOM 0 HA MET A 21 18.531 8.636 -23.281 1.00 0.00 H new ATOM 0 HB2 MET A 21 21.190 7.591 -24.349 1.00 0.00 H new ATOM 0 HB3 MET A 21 20.548 9.180 -24.716 1.00 0.00 H new ATOM 0 HG2 MET A 21 20.488 9.760 -22.324 1.00 0.00 H new ATOM 0 HG3 MET A 21 20.987 8.139 -21.885 1.00 0.00 H new ATOM 0 HE1 MET A 21 24.662 7.870 -22.670 1.00 0.00 H new ATOM 0 HE2 MET A 21 23.116 7.077 -22.286 1.00 0.00 H new ATOM 0 HE3 MET A 21 23.504 7.503 -23.970 1.00 0.00 H new ATOM 305 N GLN A 22 17.394 6.722 -25.085 1.00 0.00 N ATOM 306 CA GLN A 22 16.591 6.471 -26.272 1.00 0.00 C ATOM 307 C GLN A 22 15.749 7.699 -26.619 1.00 0.00 C ATOM 308 O GLN A 22 15.401 8.489 -25.744 1.00 0.00 O ATOM 309 CB GLN A 22 15.732 5.220 -26.076 1.00 0.00 C ATOM 310 CG GLN A 22 16.619 3.997 -25.823 1.00 0.00 C ATOM 311 CD GLN A 22 17.688 3.822 -26.896 1.00 0.00 C ATOM 312 OE1 GLN A 22 18.908 3.499 -26.486 1.00 0.00 O flip ATOM 313 NE2 GLN A 22 17.427 3.976 -28.085 1.00 0.00 N flip ATOM 0 H GLN A 22 17.130 6.163 -24.274 1.00 0.00 H new ATOM 0 HA GLN A 22 17.252 6.284 -27.118 1.00 0.00 H new ATOM 0 HB2 GLN A 22 15.053 5.365 -25.235 1.00 0.00 H new ATOM 0 HB3 GLN A 22 15.115 5.053 -26.959 1.00 0.00 H new ATOM 0 HG2 GLN A 22 17.098 4.095 -24.849 1.00 0.00 H new ATOM 0 HG3 GLN A 22 15.997 3.103 -25.784 1.00 0.00 H new ATOM 0 HE21 GLN A 22 16.480 4.224 -28.371 1.00 0.00 H new ATOM 0 HE22 GLN A 22 18.157 3.856 -28.787 1.00 0.00 H new ATOM 322 N LYS A 23 15.426 7.859 -27.907 1.00 0.00 N ATOM 323 CA LYS A 23 14.797 9.064 -28.437 1.00 0.00 C ATOM 324 C LYS A 23 13.342 8.833 -28.824 1.00 0.00 C ATOM 325 O LYS A 23 12.913 7.704 -29.039 1.00 0.00 O ATOM 326 CB LYS A 23 15.587 9.562 -29.650 1.00 0.00 C ATOM 327 CG LYS A 23 17.084 9.719 -29.371 1.00 0.00 C ATOM 328 CD LYS A 23 17.339 10.686 -28.214 1.00 0.00 C ATOM 329 CE LYS A 23 18.842 10.870 -28.023 1.00 0.00 C ATOM 330 NZ LYS A 23 19.122 11.783 -26.898 1.00 0.00 N ATOM 0 H LYS A 23 15.598 7.145 -28.615 1.00 0.00 H new ATOM 0 HA LYS A 23 14.806 9.817 -27.649 1.00 0.00 H new ATOM 0 HB2 LYS A 23 15.449 8.865 -30.477 1.00 0.00 H new ATOM 0 HB3 LYS A 23 15.181 10.521 -29.971 1.00 0.00 H new ATOM 0 HG2 LYS A 23 17.515 8.746 -29.136 1.00 0.00 H new ATOM 0 HG3 LYS A 23 17.586 10.082 -30.268 1.00 0.00 H new ATOM 0 HD2 LYS A 23 16.868 11.647 -28.419 1.00 0.00 H new ATOM 0 HD3 LYS A 23 16.890 10.300 -27.299 1.00 0.00 H new ATOM 0 HE2 LYS A 23 19.310 9.903 -27.837 1.00 0.00 H new ATOM 0 HE3 LYS A 23 19.283 11.267 -28.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 20.150 11.893 -26.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 18.693 12.711 -27.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 18.720 11.390 -26.023 1.00 0.00 H new ATOM 344 N GLU A 24 12.585 9.931 -28.912 1.00 0.00 N ATOM 345 CA GLU A 24 11.186 9.908 -29.312 1.00 0.00 C ATOM 346 C GLU A 24 10.909 10.957 -30.387 1.00 0.00 C ATOM 347 O GLU A 24 11.593 11.976 -30.468 1.00 0.00 O ATOM 348 CB GLU A 24 10.286 10.169 -28.105 1.00 0.00 C ATOM 349 CG GLU A 24 10.459 9.090 -27.035 1.00 0.00 C ATOM 350 CD GLU A 24 9.337 9.138 -26.002 1.00 0.00 C ATOM 351 OE1 GLU A 24 9.260 8.185 -25.198 1.00 0.00 O ATOM 352 OE2 GLU A 24 8.556 10.115 -26.014 1.00 0.00 O ATOM 0 H GLU A 24 12.935 10.866 -28.704 1.00 0.00 H new ATOM 0 HA GLU A 24 10.970 8.921 -29.720 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.519 11.145 -27.680 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.245 10.201 -28.426 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.477 8.108 -27.508 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.419 9.222 -26.536 1.00 0.00 H new ATOM 359 N GLY A 25 9.893 10.691 -31.209 1.00 0.00 N ATOM 360 CA GLY A 25 9.456 11.590 -32.264 1.00 0.00 C ATOM 361 C GLY A 25 8.251 12.422 -31.830 1.00 0.00 C ATOM 362 O GLY A 25 7.931 12.483 -30.642 1.00 0.00 O ATOM 0 H GLY A 25 9.346 9.831 -31.155 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.276 12.253 -32.541 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.199 11.012 -33.152 1.00 0.00 H new ATOM 366 N PRO A 26 7.576 13.067 -32.789 1.00 0.00 N ATOM 367 CA PRO A 26 6.371 13.847 -32.555 1.00 0.00 C ATOM 368 C PRO A 26 5.202 12.928 -32.198 1.00 0.00 C ATOM 369 O PRO A 26 5.336 11.706 -32.185 1.00 0.00 O ATOM 370 CB PRO A 26 6.120 14.585 -33.871 1.00 0.00 C ATOM 371 CG PRO A 26 6.700 13.632 -34.914 1.00 0.00 C ATOM 372 CD PRO A 26 7.929 13.074 -34.198 1.00 0.00 C ATOM 0 HA PRO A 26 6.477 14.540 -31.721 1.00 0.00 H new ATOM 0 HB2 PRO A 26 5.058 14.766 -34.036 1.00 0.00 H new ATOM 0 HB3 PRO A 26 6.616 15.555 -33.891 1.00 0.00 H new ATOM 0 HG2 PRO A 26 5.995 12.846 -35.183 1.00 0.00 H new ATOM 0 HG3 PRO A 26 6.966 14.151 -35.835 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.168 12.070 -34.549 1.00 0.00 H new ATOM 0 HD3 PRO A 26 8.807 13.693 -34.381 1.00 0.00 H new ATOM 380 N GLU A 27 4.037 13.514 -31.905 1.00 0.00 N ATOM 381 CA GLU A 27 2.853 12.742 -31.566 1.00 0.00 C ATOM 382 C GLU A 27 2.453 11.825 -32.720 1.00 0.00 C ATOM 383 O GLU A 27 2.474 12.231 -33.882 1.00 0.00 O ATOM 384 CB GLU A 27 1.720 13.698 -31.177 1.00 0.00 C ATOM 385 CG GLU A 27 0.377 12.990 -30.969 1.00 0.00 C ATOM 386 CD GLU A 27 0.369 12.021 -29.784 1.00 0.00 C ATOM 387 OE1 GLU A 27 -0.702 11.420 -29.547 1.00 0.00 O ATOM 388 OE2 GLU A 27 1.421 11.881 -29.118 1.00 0.00 O ATOM 0 H GLU A 27 3.896 14.524 -31.898 1.00 0.00 H new ATOM 0 HA GLU A 27 3.070 12.099 -30.713 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.993 14.221 -30.261 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.608 14.454 -31.954 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.400 13.740 -30.819 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.121 12.443 -31.876 1.00 0.00 H new ATOM 395 N GLY A 28 2.086 10.580 -32.390 1.00 0.00 N ATOM 396 CA GLY A 28 1.636 9.600 -33.366 1.00 0.00 C ATOM 397 C GLY A 28 2.797 8.884 -34.062 1.00 0.00 C ATOM 398 O GLY A 28 2.561 7.985 -34.868 1.00 0.00 O ATOM 0 H GLY A 28 2.096 10.230 -31.432 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.005 8.863 -32.870 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.019 10.096 -34.115 1.00 0.00 H new ATOM 402 N ALA A 29 4.039 9.277 -33.761 1.00 0.00 N ATOM 403 CA ALA A 29 5.214 8.726 -34.418 1.00 0.00 C ATOM 404 C ALA A 29 5.914 7.652 -33.576 1.00 0.00 C ATOM 405 O ALA A 29 6.922 7.095 -34.011 1.00 0.00 O ATOM 406 CB ALA A 29 6.173 9.867 -34.752 1.00 0.00 C ATOM 0 H ALA A 29 4.251 9.984 -33.057 1.00 0.00 H new ATOM 0 HA ALA A 29 4.891 8.228 -35.332 1.00 0.00 H new ATOM 0 HB1 ALA A 29 7.058 9.466 -35.245 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.678 10.576 -35.416 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.468 10.375 -33.834 1.00 0.00 H new ATOM 412 N ASN A 30 5.399 7.352 -32.379 1.00 0.00 N ATOM 413 CA ASN A 30 6.011 6.380 -31.481 1.00 0.00 C ATOM 414 C ASN A 30 5.247 5.060 -31.529 1.00 0.00 C ATOM 415 O ASN A 30 4.017 5.063 -31.512 1.00 0.00 O ATOM 416 CB ASN A 30 6.034 6.942 -30.059 1.00 0.00 C ATOM 417 CG ASN A 30 6.769 8.278 -29.999 1.00 0.00 C ATOM 418 OD1 ASN A 30 7.978 8.334 -30.199 1.00 0.00 O ATOM 419 ND2 ASN A 30 6.049 9.361 -29.721 1.00 0.00 N ATOM 0 H ASN A 30 4.548 7.777 -32.011 1.00 0.00 H new ATOM 0 HA ASN A 30 7.035 6.189 -31.801 1.00 0.00 H new ATOM 0 HB2 ASN A 30 5.013 7.071 -29.701 1.00 0.00 H new ATOM 0 HB3 ASN A 30 6.518 6.229 -29.392 1.00 0.00 H new ATOM 0 HD21 ASN A 30 6.501 10.274 -29.669 1.00 0.00 H new ATOM 0 HD22 ASN A 30 5.045 9.279 -29.560 1.00 0.00 H new ATOM 426 N LEU A 31 5.966 3.932 -31.585 1.00 0.00 N ATOM 427 CA LEU A 31 5.357 2.615 -31.724 1.00 0.00 C ATOM 428 C LEU A 31 5.762 1.649 -30.619 1.00 0.00 C ATOM 429 O LEU A 31 6.823 1.765 -30.013 1.00 0.00 O ATOM 430 CB LEU A 31 5.745 1.980 -33.062 1.00 0.00 C ATOM 431 CG LEU A 31 5.346 2.787 -34.293 1.00 0.00 C ATOM 432 CD1 LEU A 31 5.647 1.939 -35.525 1.00 0.00 C ATOM 433 CD2 LEU A 31 3.855 3.114 -34.291 1.00 0.00 C ATOM 0 H LEU A 31 6.985 3.913 -31.535 1.00 0.00 H new ATOM 0 HA LEU A 31 4.282 2.782 -31.663 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.825 1.830 -33.077 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.285 0.994 -33.127 1.00 0.00 H new ATOM 0 HG LEU A 31 5.903 3.724 -34.294 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.371 2.491 -36.423 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.711 1.706 -35.555 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.074 1.013 -35.478 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.608 3.690 -35.183 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.280 2.188 -34.285 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.612 3.698 -33.403 1.00 0.00 H new ATOM 445 N PHE A 32 4.879 0.679 -30.389 1.00 0.00 N ATOM 446 CA PHE A 32 5.080 -0.466 -29.525 1.00 0.00 C ATOM 447 C PHE A 32 5.064 -1.799 -30.252 1.00 0.00 C ATOM 448 O PHE A 32 4.328 -1.959 -31.220 1.00 0.00 O ATOM 449 CB PHE A 32 4.136 -0.465 -28.327 1.00 0.00 C ATOM 450 CG PHE A 32 4.614 0.364 -27.167 1.00 0.00 C ATOM 451 CD1 PHE A 32 5.016 -0.278 -25.989 1.00 0.00 C ATOM 452 CD2 PHE A 32 4.660 1.758 -27.262 1.00 0.00 C ATOM 453 CE1 PHE A 32 5.466 0.475 -24.898 1.00 0.00 C ATOM 454 CE2 PHE A 32 5.123 2.513 -26.176 1.00 0.00 C ATOM 455 CZ PHE A 32 5.521 1.872 -24.993 1.00 0.00 C ATOM 0 H PHE A 32 3.958 0.677 -30.827 1.00 0.00 H new ATOM 0 HA PHE A 32 6.094 -0.352 -29.142 1.00 0.00 H new ATOM 0 HB2 PHE A 32 3.162 -0.095 -28.647 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.992 -1.492 -27.991 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.979 -1.355 -25.922 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.340 2.251 -28.168 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.770 -0.019 -23.987 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.174 3.589 -26.250 1.00 0.00 H new ATOM 0 HZ PHE A 32 5.870 2.456 -24.154 1.00 0.00 H new ATOM 465 N ILE A 33 5.869 -2.750 -29.783 1.00 0.00 N ATOM 466 CA ILE A 33 5.960 -4.068 -30.381 1.00 0.00 C ATOM 467 C ILE A 33 5.972 -5.098 -29.257 1.00 0.00 C ATOM 468 O ILE A 33 6.643 -4.893 -28.252 1.00 0.00 O ATOM 469 CB ILE A 33 7.217 -4.173 -31.260 1.00 0.00 C ATOM 470 CG1 ILE A 33 7.364 -3.012 -32.256 1.00 0.00 C ATOM 471 CG2 ILE A 33 7.172 -5.482 -32.046 1.00 0.00 C ATOM 472 CD1 ILE A 33 8.084 -1.795 -31.667 1.00 0.00 C ATOM 0 H ILE A 33 6.477 -2.621 -28.974 1.00 0.00 H new ATOM 0 HA ILE A 33 5.104 -4.253 -31.030 1.00 0.00 H new ATOM 0 HB ILE A 33 8.073 -4.135 -30.587 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.912 -3.361 -33.131 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.375 -2.709 -32.599 1.00 0.00 H new ATOM 0 HG21 ILE A 33 8.061 -5.562 -32.671 1.00 0.00 H new ATOM 0 HG22 ILE A 33 7.140 -6.322 -31.352 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.283 -5.498 -32.676 1.00 0.00 H new ATOM 0 HD11 ILE A 33 8.154 -1.013 -32.423 1.00 0.00 H new ATOM 0 HD12 ILE A 33 7.525 -1.422 -30.809 1.00 0.00 H new ATOM 0 HD13 ILE A 33 9.086 -2.083 -31.350 1.00 0.00 H new ATOM 484 N TYR A 34 5.240 -6.204 -29.419 1.00 0.00 N ATOM 485 CA TYR A 34 5.169 -7.235 -28.392 1.00 0.00 C ATOM 486 C TYR A 34 5.159 -8.585 -29.109 1.00 0.00 C ATOM 487 O TYR A 34 5.137 -8.657 -30.338 1.00 0.00 O ATOM 488 CB TYR A 34 3.867 -7.075 -27.601 1.00 0.00 C ATOM 489 CG TYR A 34 3.466 -5.661 -27.238 1.00 0.00 C ATOM 490 CD1 TYR A 34 3.920 -5.077 -26.042 1.00 0.00 C ATOM 491 CD2 TYR A 34 2.629 -4.932 -28.094 1.00 0.00 C ATOM 492 CE1 TYR A 34 3.511 -3.779 -25.688 1.00 0.00 C ATOM 493 CE2 TYR A 34 2.206 -3.641 -27.742 1.00 0.00 C ATOM 494 CZ TYR A 34 2.635 -3.066 -26.529 1.00 0.00 C ATOM 495 OH TYR A 34 2.201 -1.824 -26.178 1.00 0.00 O ATOM 0 H TYR A 34 4.689 -6.404 -30.254 1.00 0.00 H new ATOM 0 HA TYR A 34 6.012 -7.161 -27.705 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.059 -7.521 -28.181 1.00 0.00 H new ATOM 0 HB3 TYR A 34 3.954 -7.652 -26.680 1.00 0.00 H new ATOM 0 HD1 TYR A 34 4.585 -5.627 -25.393 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.308 -5.366 -29.029 1.00 0.00 H new ATOM 0 HE1 TYR A 34 3.868 -3.330 -24.773 1.00 0.00 H new ATOM 0 HE2 TYR A 34 1.552 -3.088 -28.400 1.00 0.00 H new ATOM 0 HH TYR A 34 2.971 -1.228 -26.064 1.00 0.00 H new ATOM 505 N HIS A 35 5.173 -9.653 -28.308 1.00 0.00 N ATOM 506 CA HIS A 35 5.183 -11.042 -28.758 1.00 0.00 C ATOM 507 C HIS A 35 6.474 -11.414 -29.496 1.00 0.00 C ATOM 508 O HIS A 35 6.518 -12.431 -30.187 1.00 0.00 O ATOM 509 CB HIS A 35 3.935 -11.373 -29.585 1.00 0.00 C ATOM 510 CG HIS A 35 2.612 -10.946 -29.001 1.00 0.00 C ATOM 511 ND1 HIS A 35 1.384 -11.104 -29.618 1.00 0.00 N ATOM 512 CD2 HIS A 35 2.391 -10.342 -27.793 1.00 0.00 C ATOM 513 CE1 HIS A 35 0.438 -10.605 -28.804 1.00 0.00 C ATOM 514 NE2 HIS A 35 1.032 -10.130 -27.692 1.00 0.00 N ATOM 0 H HIS A 35 5.178 -9.568 -27.292 1.00 0.00 H new ATOM 0 HA HIS A 35 5.156 -11.662 -27.862 1.00 0.00 H new ATOM 0 HB2 HIS A 35 4.042 -10.909 -30.565 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.906 -12.451 -29.744 1.00 0.00 H new ATOM 0 HD1 HIS A 35 1.224 -11.526 -30.533 1.00 0.00 H new ATOM 0 HD2 HIS A 35 3.139 -10.081 -27.059 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -0.622 -10.588 -29.008 1.00 0.00 H new ATOM 523 N LEU A 36 7.520 -10.601 -29.359 1.00 0.00 N ATOM 524 CA LEU A 36 8.802 -10.853 -30.002 1.00 0.00 C ATOM 525 C LEU A 36 9.457 -12.097 -29.398 1.00 0.00 C ATOM 526 O LEU A 36 9.299 -12.355 -28.205 1.00 0.00 O ATOM 527 CB LEU A 36 9.726 -9.649 -29.806 1.00 0.00 C ATOM 528 CG LEU A 36 9.201 -8.382 -30.495 1.00 0.00 C ATOM 529 CD1 LEU A 36 10.062 -7.196 -30.074 1.00 0.00 C ATOM 530 CD2 LEU A 36 9.280 -8.528 -32.010 1.00 0.00 C ATOM 0 H LEU A 36 7.499 -9.749 -28.798 1.00 0.00 H new ATOM 0 HA LEU A 36 8.635 -11.015 -31.067 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.843 -9.456 -28.740 1.00 0.00 H new ATOM 0 HB3 LEU A 36 10.715 -9.887 -30.197 1.00 0.00 H new ATOM 0 HG LEU A 36 8.162 -8.226 -30.203 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.696 -6.291 -30.559 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.010 -7.075 -28.992 1.00 0.00 H new ATOM 0 HD13 LEU A 36 11.096 -7.374 -30.370 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.904 -7.621 -32.483 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.316 -8.689 -32.306 1.00 0.00 H new ATOM 0 HD23 LEU A 36 8.676 -9.379 -32.326 1.00 0.00 H new ATOM 542 N PRO A 37 10.195 -12.877 -30.197 1.00 0.00 N ATOM 543 CA PRO A 37 10.959 -14.014 -29.717 1.00 0.00 C ATOM 544 C PRO A 37 12.187 -13.526 -28.946 1.00 0.00 C ATOM 545 O PRO A 37 12.520 -12.343 -28.973 1.00 0.00 O ATOM 546 CB PRO A 37 11.342 -14.793 -30.973 1.00 0.00 C ATOM 547 CG PRO A 37 11.465 -13.693 -32.022 1.00 0.00 C ATOM 548 CD PRO A 37 10.355 -12.717 -31.633 1.00 0.00 C ATOM 0 HA PRO A 37 10.398 -14.644 -29.026 1.00 0.00 H new ATOM 0 HB2 PRO A 37 12.278 -15.336 -30.843 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.582 -15.527 -31.242 1.00 0.00 H new ATOM 0 HG2 PRO A 37 12.446 -13.219 -31.996 1.00 0.00 H new ATOM 0 HG3 PRO A 37 11.325 -14.081 -33.031 1.00 0.00 H new ATOM 0 HD2 PRO A 37 10.624 -11.692 -31.888 1.00 0.00 H new ATOM 0 HD3 PRO A 37 9.428 -12.943 -32.160 1.00 0.00 H new ATOM 556 N GLN A 38 12.862 -14.447 -28.257 1.00 0.00 N ATOM 557 CA GLN A 38 13.987 -14.119 -27.388 1.00 0.00 C ATOM 558 C GLN A 38 15.209 -13.637 -28.179 1.00 0.00 C ATOM 559 O GLN A 38 16.097 -12.996 -27.619 1.00 0.00 O ATOM 560 CB GLN A 38 14.312 -15.369 -26.559 1.00 0.00 C ATOM 561 CG GLN A 38 15.513 -15.192 -25.621 1.00 0.00 C ATOM 562 CD GLN A 38 15.299 -14.093 -24.590 1.00 0.00 C ATOM 563 OE1 GLN A 38 16.217 -13.330 -24.295 1.00 0.00 O ATOM 564 NE2 GLN A 38 14.096 -13.991 -24.028 1.00 0.00 N ATOM 0 H GLN A 38 12.642 -15.442 -28.288 1.00 0.00 H new ATOM 0 HA GLN A 38 13.715 -13.290 -26.735 1.00 0.00 H new ATOM 0 HB2 GLN A 38 13.437 -15.639 -25.968 1.00 0.00 H new ATOM 0 HB3 GLN A 38 14.510 -16.201 -27.235 1.00 0.00 H new ATOM 0 HG2 GLN A 38 15.709 -16.133 -25.107 1.00 0.00 H new ATOM 0 HG3 GLN A 38 16.399 -14.962 -26.212 1.00 0.00 H new ATOM 0 HE21 GLN A 38 13.353 -14.638 -24.292 1.00 0.00 H new ATOM 0 HE22 GLN A 38 13.917 -13.266 -23.333 1.00 0.00 H new ATOM 573 N GLU A 39 15.267 -13.937 -29.480 1.00 0.00 N ATOM 574 CA GLU A 39 16.422 -13.613 -30.310 1.00 0.00 C ATOM 575 C GLU A 39 16.466 -12.139 -30.725 1.00 0.00 C ATOM 576 O GLU A 39 17.483 -11.690 -31.255 1.00 0.00 O ATOM 577 CB GLU A 39 16.436 -14.536 -31.532 1.00 0.00 C ATOM 578 CG GLU A 39 15.174 -14.378 -32.383 1.00 0.00 C ATOM 579 CD GLU A 39 15.160 -15.343 -33.572 1.00 0.00 C ATOM 580 OE1 GLU A 39 14.129 -15.356 -34.282 1.00 0.00 O ATOM 581 OE2 GLU A 39 16.170 -16.053 -33.770 1.00 0.00 O ATOM 0 H GLU A 39 14.515 -14.410 -29.982 1.00 0.00 H new ATOM 0 HA GLU A 39 17.320 -13.777 -29.715 1.00 0.00 H new ATOM 0 HB2 GLU A 39 17.314 -14.318 -32.141 1.00 0.00 H new ATOM 0 HB3 GLU A 39 16.525 -15.572 -31.203 1.00 0.00 H new ATOM 0 HG2 GLU A 39 14.295 -14.553 -31.763 1.00 0.00 H new ATOM 0 HG3 GLU A 39 15.108 -13.353 -32.747 1.00 0.00 H new ATOM 588 N PHE A 40 15.392 -11.379 -30.494 1.00 0.00 N ATOM 589 CA PHE A 40 15.380 -9.951 -30.800 1.00 0.00 C ATOM 590 C PHE A 40 16.256 -9.070 -29.908 1.00 0.00 C ATOM 591 O PHE A 40 16.591 -9.452 -28.785 1.00 0.00 O ATOM 592 CB PHE A 40 13.963 -9.388 -30.973 1.00 0.00 C ATOM 593 CG PHE A 40 13.343 -9.622 -32.338 1.00 0.00 C ATOM 594 CD1 PHE A 40 13.347 -10.900 -32.916 1.00 0.00 C ATOM 595 CD2 PHE A 40 12.755 -8.550 -33.034 1.00 0.00 C ATOM 596 CE1 PHE A 40 12.768 -11.109 -34.174 1.00 0.00 C ATOM 597 CE2 PHE A 40 12.169 -8.759 -34.292 1.00 0.00 C ATOM 598 CZ PHE A 40 12.181 -10.040 -34.861 1.00 0.00 C ATOM 0 H PHE A 40 14.521 -11.731 -30.096 1.00 0.00 H new ATOM 0 HA PHE A 40 15.870 -9.901 -31.773 1.00 0.00 H new ATOM 0 HB2 PHE A 40 13.317 -9.832 -30.216 1.00 0.00 H new ATOM 0 HB3 PHE A 40 13.988 -8.315 -30.781 1.00 0.00 H new ATOM 0 HD1 PHE A 40 13.799 -11.727 -32.388 1.00 0.00 H new ATOM 0 HD2 PHE A 40 12.755 -7.562 -32.598 1.00 0.00 H new ATOM 0 HE1 PHE A 40 12.774 -12.095 -34.614 1.00 0.00 H new ATOM 0 HE2 PHE A 40 11.710 -7.936 -34.820 1.00 0.00 H new ATOM 0 HZ PHE A 40 11.736 -10.203 -35.832 1.00 0.00 H new ATOM 608 N GLY A 41 16.620 -7.893 -30.414 1.00 0.00 N ATOM 609 CA GLY A 41 17.421 -6.924 -29.691 1.00 0.00 C ATOM 610 C GLY A 41 17.226 -5.526 -30.272 1.00 0.00 C ATOM 611 O GLY A 41 16.534 -5.371 -31.276 1.00 0.00 O ATOM 0 H GLY A 41 16.360 -7.587 -31.352 1.00 0.00 H new ATOM 0 HA2 GLY A 41 17.143 -6.928 -28.637 1.00 0.00 H new ATOM 0 HA3 GLY A 41 18.474 -7.202 -29.744 1.00 0.00 H new ATOM 615 N ASP A 42 17.830 -4.511 -29.650 1.00 0.00 N ATOM 616 CA ASP A 42 17.654 -3.124 -30.065 1.00 0.00 C ATOM 617 C ASP A 42 18.084 -2.955 -31.519 1.00 0.00 C ATOM 618 O ASP A 42 17.483 -2.184 -32.266 1.00 0.00 O ATOM 619 CB ASP A 42 18.542 -2.213 -29.207 1.00 0.00 C ATOM 620 CG ASP A 42 18.351 -2.383 -27.701 1.00 0.00 C ATOM 621 OD1 ASP A 42 19.193 -1.832 -26.956 1.00 0.00 O ATOM 622 OD2 ASP A 42 17.375 -3.054 -27.299 1.00 0.00 O ATOM 0 H ASP A 42 18.451 -4.630 -28.849 1.00 0.00 H new ATOM 0 HA ASP A 42 16.603 -2.860 -29.948 1.00 0.00 H new ATOM 0 HB2 ASP A 42 19.586 -2.407 -29.453 1.00 0.00 H new ATOM 0 HB3 ASP A 42 18.340 -1.175 -29.472 1.00 0.00 H new ATOM 627 N GLN A 43 19.125 -3.685 -31.923 1.00 0.00 N ATOM 628 CA GLN A 43 19.678 -3.598 -33.266 1.00 0.00 C ATOM 629 C GLN A 43 18.841 -4.400 -34.257 1.00 0.00 C ATOM 630 O GLN A 43 18.721 -4.026 -35.423 1.00 0.00 O ATOM 631 CB GLN A 43 21.112 -4.123 -33.229 1.00 0.00 C ATOM 632 CG GLN A 43 21.818 -3.973 -34.582 1.00 0.00 C ATOM 633 CD GLN A 43 22.067 -2.518 -34.966 1.00 0.00 C ATOM 634 OE1 GLN A 43 21.795 -1.595 -34.198 1.00 0.00 O ATOM 635 NE2 GLN A 43 22.589 -2.297 -36.170 1.00 0.00 N ATOM 0 H GLN A 43 19.606 -4.354 -31.322 1.00 0.00 H new ATOM 0 HA GLN A 43 19.667 -2.560 -33.598 1.00 0.00 H new ATOM 0 HB2 GLN A 43 21.675 -3.585 -32.466 1.00 0.00 H new ATOM 0 HB3 GLN A 43 21.105 -5.174 -32.939 1.00 0.00 H new ATOM 0 HG2 GLN A 43 22.770 -4.503 -34.549 1.00 0.00 H new ATOM 0 HG3 GLN A 43 21.215 -4.449 -35.355 1.00 0.00 H new ATOM 0 HE21 GLN A 43 22.804 -3.082 -36.785 1.00 0.00 H new ATOM 0 HE22 GLN A 43 22.774 -1.342 -36.478 1.00 0.00 H new ATOM 644 N ASP A 44 18.260 -5.509 -33.793 1.00 0.00 N ATOM 645 CA ASP A 44 17.440 -6.358 -34.641 1.00 0.00 C ATOM 646 C ASP A 44 16.059 -5.789 -34.940 1.00 0.00 C ATOM 647 O ASP A 44 15.566 -5.913 -36.060 1.00 0.00 O ATOM 648 CB ASP A 44 17.357 -7.778 -34.075 1.00 0.00 C ATOM 649 CG ASP A 44 18.661 -8.561 -34.236 1.00 0.00 C ATOM 650 OD1 ASP A 44 18.671 -9.742 -33.823 1.00 0.00 O ATOM 651 OD2 ASP A 44 19.636 -7.987 -34.770 1.00 0.00 O ATOM 0 H ASP A 44 18.347 -5.835 -32.831 1.00 0.00 H new ATOM 0 HA ASP A 44 17.946 -6.396 -35.606 1.00 0.00 H new ATOM 0 HB2 ASP A 44 17.098 -7.727 -33.017 1.00 0.00 H new ATOM 0 HB3 ASP A 44 16.552 -8.316 -34.575 1.00 0.00 H new ATOM 656 N ILE A 45 15.428 -5.159 -33.945 1.00 0.00 N ATOM 657 CA ILE A 45 14.134 -4.532 -34.150 1.00 0.00 C ATOM 658 C ILE A 45 14.333 -3.245 -34.944 1.00 0.00 C ATOM 659 O ILE A 45 13.417 -2.791 -35.626 1.00 0.00 O ATOM 660 CB ILE A 45 13.465 -4.274 -32.794 1.00 0.00 C ATOM 661 CG1 ILE A 45 11.965 -4.048 -33.001 1.00 0.00 C ATOM 662 CG2 ILE A 45 14.084 -3.070 -32.080 1.00 0.00 C ATOM 663 CD1 ILE A 45 11.227 -3.963 -31.667 1.00 0.00 C ATOM 0 H ILE A 45 15.796 -5.074 -32.997 1.00 0.00 H new ATOM 0 HA ILE A 45 13.474 -5.187 -34.719 1.00 0.00 H new ATOM 0 HB ILE A 45 13.624 -5.148 -32.163 1.00 0.00 H new ATOM 0 HG12 ILE A 45 11.808 -3.129 -33.565 1.00 0.00 H new ATOM 0 HG13 ILE A 45 11.551 -4.862 -33.597 1.00 0.00 H new ATOM 0 HG21 ILE A 45 13.584 -2.918 -31.123 1.00 0.00 H new ATOM 0 HG22 ILE A 45 15.145 -3.254 -31.910 1.00 0.00 H new ATOM 0 HG23 ILE A 45 13.964 -2.180 -32.697 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.164 -3.802 -31.849 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.364 -4.893 -31.115 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.625 -3.133 -31.083 1.00 0.00 H new ATOM 675 N LEU A 46 15.530 -2.649 -34.869 1.00 0.00 N ATOM 676 CA LEU A 46 15.859 -1.478 -35.660 1.00 0.00 C ATOM 677 C LEU A 46 15.870 -1.845 -37.138 1.00 0.00 C ATOM 678 O LEU A 46 15.208 -1.195 -37.943 1.00 0.00 O ATOM 679 CB LEU A 46 17.223 -0.935 -35.219 1.00 0.00 C ATOM 680 CG LEU A 46 17.708 0.221 -36.095 1.00 0.00 C ATOM 681 CD1 LEU A 46 16.833 1.461 -35.919 1.00 0.00 C ATOM 682 CD2 LEU A 46 19.146 0.562 -35.719 1.00 0.00 C ATOM 0 H LEU A 46 16.284 -2.969 -34.262 1.00 0.00 H new ATOM 0 HA LEU A 46 15.109 -0.702 -35.506 1.00 0.00 H new ATOM 0 HB2 LEU A 46 17.159 -0.599 -34.184 1.00 0.00 H new ATOM 0 HB3 LEU A 46 17.957 -1.740 -35.248 1.00 0.00 H new ATOM 0 HG LEU A 46 17.649 -0.091 -37.138 1.00 0.00 H new ATOM 0 HD11 LEU A 46 17.206 2.263 -36.556 1.00 0.00 H new ATOM 0 HD12 LEU A 46 15.806 1.224 -36.198 1.00 0.00 H new ATOM 0 HD13 LEU A 46 16.862 1.782 -34.878 1.00 0.00 H new ATOM 0 HD21 LEU A 46 19.499 1.386 -36.340 1.00 0.00 H new ATOM 0 HD22 LEU A 46 19.188 0.854 -34.670 1.00 0.00 H new ATOM 0 HD23 LEU A 46 19.780 -0.310 -35.878 1.00 0.00 H new ATOM 694 N GLN A 47 16.614 -2.893 -37.502 1.00 0.00 N ATOM 695 CA GLN A 47 16.723 -3.334 -38.885 1.00 0.00 C ATOM 696 C GLN A 47 15.385 -3.842 -39.414 1.00 0.00 C ATOM 697 O GLN A 47 15.169 -3.865 -40.625 1.00 0.00 O ATOM 698 CB GLN A 47 17.785 -4.431 -38.974 1.00 0.00 C ATOM 699 CG GLN A 47 19.187 -3.857 -38.751 1.00 0.00 C ATOM 700 CD GLN A 47 19.734 -3.151 -39.986 1.00 0.00 C ATOM 701 OE1 GLN A 47 19.076 -3.063 -41.019 1.00 0.00 O ATOM 702 NE2 GLN A 47 20.959 -2.637 -39.889 1.00 0.00 N ATOM 0 H GLN A 47 17.154 -3.455 -36.844 1.00 0.00 H new ATOM 0 HA GLN A 47 17.015 -2.486 -39.504 1.00 0.00 H new ATOM 0 HB2 GLN A 47 17.581 -5.201 -38.230 1.00 0.00 H new ATOM 0 HB3 GLN A 47 17.736 -4.911 -39.951 1.00 0.00 H new ATOM 0 HG2 GLN A 47 19.160 -3.155 -37.918 1.00 0.00 H new ATOM 0 HG3 GLN A 47 19.865 -4.662 -38.467 1.00 0.00 H new ATOM 0 HE21 GLN A 47 21.482 -2.726 -39.018 1.00 0.00 H new ATOM 0 HE22 GLN A 47 21.374 -2.155 -40.686 1.00 0.00 H new ATOM 711 N MET A 48 14.484 -4.247 -38.515 1.00 0.00 N ATOM 712 CA MET A 48 13.157 -4.692 -38.895 1.00 0.00 C ATOM 713 C MET A 48 12.251 -3.495 -39.201 1.00 0.00 C ATOM 714 O MET A 48 11.309 -3.623 -39.980 1.00 0.00 O ATOM 715 CB MET A 48 12.585 -5.545 -37.758 1.00 0.00 C ATOM 716 CG MET A 48 11.179 -6.058 -38.079 1.00 0.00 C ATOM 717 SD MET A 48 11.101 -7.228 -39.461 1.00 0.00 S ATOM 718 CE MET A 48 11.968 -8.637 -38.721 1.00 0.00 C ATOM 0 H MET A 48 14.660 -4.273 -37.511 1.00 0.00 H new ATOM 0 HA MET A 48 13.213 -5.292 -39.803 1.00 0.00 H new ATOM 0 HB2 MET A 48 13.246 -6.391 -37.572 1.00 0.00 H new ATOM 0 HB3 MET A 48 12.556 -4.955 -36.842 1.00 0.00 H new ATOM 0 HG2 MET A 48 10.770 -6.538 -37.190 1.00 0.00 H new ATOM 0 HG3 MET A 48 10.538 -5.206 -38.305 1.00 0.00 H new ATOM 0 HE1 MET A 48 11.771 -9.534 -39.308 1.00 0.00 H new ATOM 0 HE2 MET A 48 13.040 -8.439 -38.709 1.00 0.00 H new ATOM 0 HE3 MET A 48 11.615 -8.786 -37.701 1.00 0.00 H new ATOM 728 N PHE A 49 12.535 -2.337 -38.594 1.00 0.00 N ATOM 729 CA PHE A 49 11.732 -1.133 -38.748 1.00 0.00 C ATOM 730 C PHE A 49 12.291 -0.001 -39.618 1.00 0.00 C ATOM 731 O PHE A 49 11.563 0.933 -39.947 1.00 0.00 O ATOM 732 CB PHE A 49 11.184 -0.651 -37.402 1.00 0.00 C ATOM 733 CG PHE A 49 10.017 -1.455 -36.872 1.00 0.00 C ATOM 734 CD1 PHE A 49 10.198 -2.778 -36.447 1.00 0.00 C ATOM 735 CD2 PHE A 49 8.744 -0.870 -36.797 1.00 0.00 C ATOM 736 CE1 PHE A 49 9.113 -3.516 -35.955 1.00 0.00 C ATOM 737 CE2 PHE A 49 7.658 -1.611 -36.310 1.00 0.00 C ATOM 738 CZ PHE A 49 7.839 -2.934 -35.888 1.00 0.00 C ATOM 0 H PHE A 49 13.338 -2.215 -37.977 1.00 0.00 H new ATOM 0 HA PHE A 49 10.901 -1.469 -39.369 1.00 0.00 H new ATOM 0 HB2 PHE A 49 11.989 -0.676 -36.667 1.00 0.00 H new ATOM 0 HB3 PHE A 49 10.876 0.390 -37.502 1.00 0.00 H new ATOM 0 HD1 PHE A 49 11.177 -3.231 -36.499 1.00 0.00 H new ATOM 0 HD2 PHE A 49 8.600 0.152 -37.115 1.00 0.00 H new ATOM 0 HE1 PHE A 49 9.258 -4.535 -35.627 1.00 0.00 H new ATOM 0 HE2 PHE A 49 6.678 -1.160 -36.260 1.00 0.00 H new ATOM 0 HZ PHE A 49 7.001 -3.503 -35.513 1.00 0.00 H new ATOM 748 N MET A 50 13.571 -0.068 -39.997 1.00 0.00 N ATOM 749 CA MET A 50 14.174 0.963 -40.835 1.00 0.00 C ATOM 750 C MET A 50 13.627 1.047 -42.272 1.00 0.00 C ATOM 751 O MET A 50 13.622 2.149 -42.820 1.00 0.00 O ATOM 752 CB MET A 50 15.696 0.809 -40.877 1.00 0.00 C ATOM 753 CG MET A 50 16.343 1.349 -39.601 1.00 0.00 C ATOM 754 SD MET A 50 18.117 1.692 -39.750 1.00 0.00 S ATOM 755 CE MET A 50 18.719 0.016 -40.070 1.00 0.00 C ATOM 0 H MET A 50 14.204 -0.824 -39.736 1.00 0.00 H new ATOM 0 HA MET A 50 13.893 1.900 -40.354 1.00 0.00 H new ATOM 0 HB2 MET A 50 15.954 -0.243 -41.002 1.00 0.00 H new ATOM 0 HB3 MET A 50 16.094 1.340 -41.742 1.00 0.00 H new ATOM 0 HG2 MET A 50 15.831 2.266 -39.308 1.00 0.00 H new ATOM 0 HG3 MET A 50 16.191 0.628 -38.798 1.00 0.00 H new ATOM 0 HE1 MET A 50 19.807 0.027 -40.137 1.00 0.00 H new ATOM 0 HE2 MET A 50 18.412 -0.642 -39.257 1.00 0.00 H new ATOM 0 HE3 MET A 50 18.302 -0.347 -41.009 1.00 0.00 H new ATOM 765 N PRO A 51 13.171 -0.036 -42.925 1.00 0.00 N ATOM 766 CA PRO A 51 12.674 0.072 -44.290 1.00 0.00 C ATOM 767 C PRO A 51 11.321 0.785 -44.346 1.00 0.00 C ATOM 768 O PRO A 51 10.847 1.108 -45.436 1.00 0.00 O ATOM 769 CB PRO A 51 12.564 -1.371 -44.790 1.00 0.00 C ATOM 770 CG PRO A 51 12.274 -2.156 -43.512 1.00 0.00 C ATOM 771 CD PRO A 51 13.103 -1.415 -42.467 1.00 0.00 C ATOM 0 HA PRO A 51 13.341 0.669 -44.912 1.00 0.00 H new ATOM 0 HB2 PRO A 51 11.766 -1.484 -45.523 1.00 0.00 H new ATOM 0 HB3 PRO A 51 13.485 -1.704 -45.268 1.00 0.00 H new ATOM 0 HG2 PRO A 51 11.212 -2.150 -43.265 1.00 0.00 H new ATOM 0 HG3 PRO A 51 12.574 -3.200 -43.601 1.00 0.00 H new ATOM 0 HD2 PRO A 51 12.639 -1.478 -41.483 1.00 0.00 H new ATOM 0 HD3 PRO A 51 14.099 -1.848 -42.379 1.00 0.00 H new ATOM 779 N PHE A 52 10.694 1.036 -43.194 1.00 0.00 N ATOM 780 CA PHE A 52 9.413 1.719 -43.129 1.00 0.00 C ATOM 781 C PHE A 52 9.571 3.239 -43.189 1.00 0.00 C ATOM 782 O PHE A 52 8.642 3.936 -43.589 1.00 0.00 O ATOM 783 CB PHE A 52 8.703 1.285 -41.848 1.00 0.00 C ATOM 784 CG PHE A 52 8.470 -0.208 -41.763 1.00 0.00 C ATOM 785 CD1 PHE A 52 8.040 -0.929 -42.889 1.00 0.00 C ATOM 786 CD2 PHE A 52 8.692 -0.884 -40.552 1.00 0.00 C ATOM 787 CE1 PHE A 52 7.851 -2.315 -42.810 1.00 0.00 C ATOM 788 CE2 PHE A 52 8.499 -2.270 -40.473 1.00 0.00 C ATOM 789 CZ PHE A 52 8.080 -2.986 -41.600 1.00 0.00 C ATOM 0 H PHE A 52 11.066 0.768 -42.283 1.00 0.00 H new ATOM 0 HA PHE A 52 8.815 1.443 -43.997 1.00 0.00 H new ATOM 0 HB2 PHE A 52 9.294 1.602 -40.989 1.00 0.00 H new ATOM 0 HB3 PHE A 52 7.744 1.799 -41.782 1.00 0.00 H new ATOM 0 HD1 PHE A 52 7.854 -0.413 -43.819 1.00 0.00 H new ATOM 0 HD2 PHE A 52 9.012 -0.334 -39.679 1.00 0.00 H new ATOM 0 HE1 PHE A 52 7.529 -2.867 -43.681 1.00 0.00 H new ATOM 0 HE2 PHE A 52 8.674 -2.786 -39.541 1.00 0.00 H new ATOM 0 HZ PHE A 52 7.933 -4.054 -41.538 1.00 0.00 H new ATOM 799 N GLY A 53 10.743 3.748 -42.794 1.00 0.00 N ATOM 800 CA GLY A 53 11.040 5.174 -42.800 1.00 0.00 C ATOM 801 C GLY A 53 12.185 5.497 -41.842 1.00 0.00 C ATOM 802 O GLY A 53 12.918 4.601 -41.426 1.00 0.00 O ATOM 0 H GLY A 53 11.515 3.172 -42.459 1.00 0.00 H new ATOM 0 HA2 GLY A 53 11.305 5.490 -43.809 1.00 0.00 H new ATOM 0 HA3 GLY A 53 10.151 5.736 -42.513 1.00 0.00 H new ATOM 806 N ASN A 54 12.349 6.771 -41.484 1.00 0.00 N ATOM 807 CA ASN A 54 13.469 7.191 -40.661 1.00 0.00 C ATOM 808 C ASN A 54 13.198 6.911 -39.186 1.00 0.00 C ATOM 809 O ASN A 54 12.453 7.637 -38.532 1.00 0.00 O ATOM 810 CB ASN A 54 13.744 8.675 -40.897 1.00 0.00 C ATOM 811 CG ASN A 54 14.808 9.203 -39.941 1.00 0.00 C ATOM 812 OD1 ASN A 54 15.732 8.488 -39.570 1.00 0.00 O ATOM 813 ND2 ASN A 54 14.679 10.462 -39.541 1.00 0.00 N ATOM 0 H ASN A 54 11.717 7.525 -41.754 1.00 0.00 H new ATOM 0 HA ASN A 54 14.352 6.618 -40.943 1.00 0.00 H new ATOM 0 HB2 ASN A 54 14.070 8.827 -41.926 1.00 0.00 H new ATOM 0 HB3 ASN A 54 12.822 9.242 -40.767 1.00 0.00 H new ATOM 0 HD21 ASN A 54 15.363 10.867 -38.902 1.00 0.00 H new ATOM 0 HD22 ASN A 54 13.896 11.025 -39.873 1.00 0.00 H new ATOM 820 N VAL A 55 13.816 5.848 -38.670 1.00 0.00 N ATOM 821 CA VAL A 55 13.721 5.492 -37.263 1.00 0.00 C ATOM 822 C VAL A 55 14.723 6.324 -36.470 1.00 0.00 C ATOM 823 O VAL A 55 15.921 6.267 -36.737 1.00 0.00 O ATOM 824 CB VAL A 55 14.006 3.997 -37.098 1.00 0.00 C ATOM 825 CG1 VAL A 55 13.991 3.599 -35.624 1.00 0.00 C ATOM 826 CG2 VAL A 55 12.955 3.177 -37.839 1.00 0.00 C ATOM 0 H VAL A 55 14.395 5.213 -39.219 1.00 0.00 H new ATOM 0 HA VAL A 55 12.718 5.697 -36.888 1.00 0.00 H new ATOM 0 HB VAL A 55 14.994 3.798 -37.513 1.00 0.00 H new ATOM 0 HG11 VAL A 55 14.196 2.532 -35.533 1.00 0.00 H new ATOM 0 HG12 VAL A 55 14.754 4.162 -35.087 1.00 0.00 H new ATOM 0 HG13 VAL A 55 13.012 3.818 -35.198 1.00 0.00 H new ATOM 0 HG21 VAL A 55 13.168 2.115 -37.715 1.00 0.00 H new ATOM 0 HG22 VAL A 55 11.968 3.399 -37.434 1.00 0.00 H new ATOM 0 HG23 VAL A 55 12.977 3.430 -38.899 1.00 0.00 H new ATOM 836 N ILE A 56 14.241 7.099 -35.491 1.00 0.00 N ATOM 837 CA ILE A 56 15.123 7.905 -34.652 1.00 0.00 C ATOM 838 C ILE A 56 15.757 7.032 -33.578 1.00 0.00 C ATOM 839 O ILE A 56 16.895 7.266 -33.171 1.00 0.00 O ATOM 840 CB ILE A 56 14.343 9.049 -33.991 1.00 0.00 C ATOM 841 CG1 ILE A 56 13.528 9.843 -35.024 1.00 0.00 C ATOM 842 CG2 ILE A 56 15.322 9.972 -33.255 1.00 0.00 C ATOM 843 CD1 ILE A 56 12.850 11.056 -34.384 1.00 0.00 C ATOM 0 H ILE A 56 13.250 7.182 -35.264 1.00 0.00 H new ATOM 0 HA ILE A 56 15.904 8.331 -35.282 1.00 0.00 H new ATOM 0 HB ILE A 56 13.638 8.622 -33.278 1.00 0.00 H new ATOM 0 HG12 ILE A 56 14.182 10.173 -35.831 1.00 0.00 H new ATOM 0 HG13 ILE A 56 12.773 9.195 -35.471 1.00 0.00 H new ATOM 0 HG21 ILE A 56 14.771 10.786 -32.784 1.00 0.00 H new ATOM 0 HG22 ILE A 56 15.853 9.404 -32.491 1.00 0.00 H new ATOM 0 HG23 ILE A 56 16.039 10.383 -33.966 1.00 0.00 H new ATOM 0 HD11 ILE A 56 12.282 11.596 -35.141 1.00 0.00 H new ATOM 0 HD12 ILE A 56 12.177 10.722 -33.594 1.00 0.00 H new ATOM 0 HD13 ILE A 56 13.608 11.715 -33.960 1.00 0.00 H new ATOM 855 N SER A 57 15.019 6.021 -33.115 1.00 0.00 N ATOM 856 CA SER A 57 15.443 5.172 -32.018 1.00 0.00 C ATOM 857 C SER A 57 14.724 3.828 -32.050 1.00 0.00 C ATOM 858 O SER A 57 13.605 3.725 -32.553 1.00 0.00 O ATOM 859 CB SER A 57 15.187 5.910 -30.704 1.00 0.00 C ATOM 860 OG SER A 57 15.341 5.058 -29.590 1.00 0.00 O ATOM 0 H SER A 57 14.107 5.773 -33.498 1.00 0.00 H new ATOM 0 HA SER A 57 16.508 4.959 -32.112 1.00 0.00 H new ATOM 0 HB2 SER A 57 15.876 6.750 -30.618 1.00 0.00 H new ATOM 0 HB3 SER A 57 14.179 6.324 -30.709 1.00 0.00 H new ATOM 0 HG SER A 57 14.499 5.018 -29.090 1.00 0.00 H new ATOM 866 N ALA A 58 15.380 2.801 -31.510 1.00 0.00 N ATOM 867 CA ALA A 58 14.870 1.443 -31.476 1.00 0.00 C ATOM 868 C ALA A 58 15.317 0.774 -30.176 1.00 0.00 C ATOM 869 O ALA A 58 16.404 1.056 -29.669 1.00 0.00 O ATOM 870 CB ALA A 58 15.380 0.691 -32.704 1.00 0.00 C ATOM 0 H ALA A 58 16.298 2.899 -31.077 1.00 0.00 H new ATOM 0 HA ALA A 58 13.780 1.436 -31.502 1.00 0.00 H new ATOM 0 HB1 ALA A 58 15.002 -0.331 -32.688 1.00 0.00 H new ATOM 0 HB2 ALA A 58 15.033 1.192 -33.608 1.00 0.00 H new ATOM 0 HB3 ALA A 58 16.470 0.675 -32.694 1.00 0.00 H new ATOM 876 N LYS A 59 14.476 -0.114 -29.639 1.00 0.00 N ATOM 877 CA LYS A 59 14.687 -0.704 -28.326 1.00 0.00 C ATOM 878 C LYS A 59 13.962 -2.037 -28.187 1.00 0.00 C ATOM 879 O LYS A 59 12.827 -2.184 -28.637 1.00 0.00 O ATOM 880 CB LYS A 59 14.160 0.293 -27.283 1.00 0.00 C ATOM 881 CG LYS A 59 14.084 -0.261 -25.857 1.00 0.00 C ATOM 882 CD LYS A 59 15.477 -0.481 -25.268 1.00 0.00 C ATOM 883 CE LYS A 59 15.355 -1.026 -23.845 1.00 0.00 C ATOM 884 NZ LYS A 59 16.681 -1.157 -23.218 1.00 0.00 N ATOM 0 H LYS A 59 13.631 -0.441 -30.107 1.00 0.00 H new ATOM 0 HA LYS A 59 15.749 -0.902 -28.180 1.00 0.00 H new ATOM 0 HB2 LYS A 59 14.802 1.174 -27.283 1.00 0.00 H new ATOM 0 HB3 LYS A 59 13.166 0.623 -27.584 1.00 0.00 H new ATOM 0 HG2 LYS A 59 13.526 0.431 -25.226 1.00 0.00 H new ATOM 0 HG3 LYS A 59 13.536 -1.203 -25.860 1.00 0.00 H new ATOM 0 HD2 LYS A 59 16.038 -1.180 -25.888 1.00 0.00 H new ATOM 0 HD3 LYS A 59 16.032 0.457 -25.262 1.00 0.00 H new ATOM 0 HE2 LYS A 59 14.730 -0.361 -23.249 1.00 0.00 H new ATOM 0 HE3 LYS A 59 14.860 -1.997 -23.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 16.568 -1.415 -22.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 17.224 -1.897 -23.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 17.189 -0.252 -23.287 1.00 0.00 H new ATOM 898 N VAL A 60 14.620 -3.009 -27.556 1.00 0.00 N ATOM 899 CA VAL A 60 13.980 -4.246 -27.126 1.00 0.00 C ATOM 900 C VAL A 60 14.205 -4.283 -25.622 1.00 0.00 C ATOM 901 O VAL A 60 15.329 -4.119 -25.149 1.00 0.00 O ATOM 902 CB VAL A 60 14.595 -5.456 -27.827 1.00 0.00 C ATOM 903 CG1 VAL A 60 14.223 -6.757 -27.116 1.00 0.00 C ATOM 904 CG2 VAL A 60 14.067 -5.522 -29.259 1.00 0.00 C ATOM 0 H VAL A 60 15.613 -2.958 -27.330 1.00 0.00 H new ATOM 0 HA VAL A 60 12.920 -4.281 -27.378 1.00 0.00 H new ATOM 0 HB VAL A 60 15.679 -5.344 -27.812 1.00 0.00 H new ATOM 0 HG11 VAL A 60 14.676 -7.600 -27.639 1.00 0.00 H new ATOM 0 HG12 VAL A 60 14.589 -6.728 -26.090 1.00 0.00 H new ATOM 0 HG13 VAL A 60 13.139 -6.872 -27.112 1.00 0.00 H new ATOM 0 HG21 VAL A 60 14.501 -6.383 -29.767 1.00 0.00 H new ATOM 0 HG22 VAL A 60 12.981 -5.619 -29.242 1.00 0.00 H new ATOM 0 HG23 VAL A 60 14.341 -4.611 -29.790 1.00 0.00 H new ATOM 914 N PHE A 61 13.130 -4.497 -24.865 1.00 0.00 N ATOM 915 CA PHE A 61 13.191 -4.413 -23.420 1.00 0.00 C ATOM 916 C PHE A 61 13.930 -5.565 -22.744 1.00 0.00 C ATOM 917 O PHE A 61 13.900 -6.688 -23.244 1.00 0.00 O ATOM 918 CB PHE A 61 11.805 -4.140 -22.846 1.00 0.00 C ATOM 919 CG PHE A 61 11.329 -2.746 -23.183 1.00 0.00 C ATOM 920 CD1 PHE A 61 11.947 -1.635 -22.597 1.00 0.00 C ATOM 921 CD2 PHE A 61 10.280 -2.564 -24.092 1.00 0.00 C ATOM 922 CE1 PHE A 61 11.528 -0.339 -22.933 1.00 0.00 C ATOM 923 CE2 PHE A 61 9.853 -1.271 -24.426 1.00 0.00 C ATOM 924 CZ PHE A 61 10.482 -0.157 -23.847 1.00 0.00 C ATOM 0 H PHE A 61 12.209 -4.730 -25.236 1.00 0.00 H new ATOM 0 HA PHE A 61 13.822 -3.557 -23.179 1.00 0.00 H new ATOM 0 HB2 PHE A 61 11.098 -4.871 -23.237 1.00 0.00 H new ATOM 0 HB3 PHE A 61 11.827 -4.266 -21.764 1.00 0.00 H new ATOM 0 HD1 PHE A 61 12.747 -1.776 -21.885 1.00 0.00 H new ATOM 0 HD2 PHE A 61 9.798 -3.422 -24.537 1.00 0.00 H new ATOM 0 HE1 PHE A 61 12.011 0.518 -22.487 1.00 0.00 H new ATOM 0 HE2 PHE A 61 9.043 -1.132 -25.126 1.00 0.00 H new ATOM 0 HZ PHE A 61 10.159 0.840 -24.106 1.00 0.00 H new ATOM 934 N ILE A 62 14.591 -5.293 -21.616 1.00 0.00 N ATOM 935 CA ILE A 62 15.422 -6.274 -20.932 1.00 0.00 C ATOM 936 C ILE A 62 15.104 -6.295 -19.441 1.00 0.00 C ATOM 937 O ILE A 62 14.871 -5.245 -18.846 1.00 0.00 O ATOM 938 CB ILE A 62 16.909 -5.954 -21.151 1.00 0.00 C ATOM 939 CG1 ILE A 62 17.309 -5.864 -22.630 1.00 0.00 C ATOM 940 CG2 ILE A 62 17.753 -7.012 -20.435 1.00 0.00 C ATOM 941 CD1 ILE A 62 17.209 -7.200 -23.366 1.00 0.00 C ATOM 0 H ILE A 62 14.562 -4.384 -21.155 1.00 0.00 H new ATOM 0 HA ILE A 62 15.208 -7.259 -21.347 1.00 0.00 H new ATOM 0 HB ILE A 62 17.093 -4.964 -20.734 1.00 0.00 H new ATOM 0 HG12 ILE A 62 16.671 -5.134 -23.128 1.00 0.00 H new ATOM 0 HG13 ILE A 62 18.332 -5.494 -22.701 1.00 0.00 H new ATOM 0 HG21 ILE A 62 18.811 -6.795 -20.583 1.00 0.00 H new ATOM 0 HG22 ILE A 62 17.526 -6.998 -19.369 1.00 0.00 H new ATOM 0 HG23 ILE A 62 17.524 -7.997 -20.842 1.00 0.00 H new ATOM 0 HD11 ILE A 62 17.506 -7.065 -24.406 1.00 0.00 H new ATOM 0 HD12 ILE A 62 17.868 -7.927 -22.892 1.00 0.00 H new ATOM 0 HD13 ILE A 62 16.182 -7.562 -23.326 1.00 0.00 H new ATOM 953 N ASP A 63 15.094 -7.486 -18.837 1.00 0.00 N ATOM 954 CA ASP A 63 14.882 -7.637 -17.404 1.00 0.00 C ATOM 955 C ASP A 63 16.235 -7.591 -16.696 1.00 0.00 C ATOM 956 O ASP A 63 17.188 -8.230 -17.133 1.00 0.00 O ATOM 957 CB ASP A 63 14.184 -8.973 -17.154 1.00 0.00 C ATOM 958 CG ASP A 63 13.789 -9.189 -15.695 1.00 0.00 C ATOM 959 OD1 ASP A 63 14.057 -8.287 -14.869 1.00 0.00 O ATOM 960 OD2 ASP A 63 13.217 -10.267 -15.418 1.00 0.00 O ATOM 0 H ASP A 63 15.233 -8.368 -19.330 1.00 0.00 H new ATOM 0 HA ASP A 63 14.258 -6.832 -17.016 1.00 0.00 H new ATOM 0 HB2 ASP A 63 13.291 -9.030 -17.776 1.00 0.00 H new ATOM 0 HB3 ASP A 63 14.843 -9.783 -17.468 1.00 0.00 H new ATOM 965 N LYS A 64 16.324 -6.839 -15.599 1.00 0.00 N ATOM 966 CA LYS A 64 17.561 -6.695 -14.843 1.00 0.00 C ATOM 967 C LYS A 64 17.835 -7.917 -13.967 1.00 0.00 C ATOM 968 O LYS A 64 18.933 -8.064 -13.434 1.00 0.00 O ATOM 969 CB LYS A 64 17.448 -5.427 -13.995 1.00 0.00 C ATOM 970 CG LYS A 64 16.336 -5.547 -12.952 1.00 0.00 C ATOM 971 CD LYS A 64 15.946 -4.173 -12.419 1.00 0.00 C ATOM 972 CE LYS A 64 15.219 -3.383 -13.510 1.00 0.00 C ATOM 973 NZ LYS A 64 14.793 -2.056 -13.009 1.00 0.00 N ATOM 0 H LYS A 64 15.539 -6.314 -15.212 1.00 0.00 H new ATOM 0 HA LYS A 64 18.402 -6.616 -15.532 1.00 0.00 H new ATOM 0 HB2 LYS A 64 18.398 -5.236 -13.495 1.00 0.00 H new ATOM 0 HB3 LYS A 64 17.251 -4.572 -14.642 1.00 0.00 H new ATOM 0 HG2 LYS A 64 15.466 -6.031 -13.395 1.00 0.00 H new ATOM 0 HG3 LYS A 64 16.669 -6.180 -12.130 1.00 0.00 H new ATOM 0 HD2 LYS A 64 15.303 -4.280 -11.545 1.00 0.00 H new ATOM 0 HD3 LYS A 64 16.835 -3.632 -12.096 1.00 0.00 H new ATOM 0 HE2 LYS A 64 15.875 -3.257 -14.371 1.00 0.00 H new ATOM 0 HE3 LYS A 64 14.349 -3.944 -13.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 14.303 -1.540 -13.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 14.149 -2.180 -12.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 15.628 -1.515 -12.706 1.00 0.00 H new ATOM 987 N GLN A 65 16.840 -8.794 -13.810 1.00 0.00 N ATOM 988 CA GLN A 65 16.954 -9.988 -12.986 1.00 0.00 C ATOM 989 C GLN A 65 17.511 -11.183 -13.753 1.00 0.00 C ATOM 990 O GLN A 65 18.047 -12.107 -13.145 1.00 0.00 O ATOM 991 CB GLN A 65 15.560 -10.354 -12.476 1.00 0.00 C ATOM 992 CG GLN A 65 14.980 -9.285 -11.544 1.00 0.00 C ATOM 993 CD GLN A 65 15.782 -9.164 -10.256 1.00 0.00 C ATOM 994 OE1 GLN A 65 16.803 -8.312 -10.252 1.00 0.00 O flip ATOM 995 NE2 GLN A 65 15.492 -9.835 -9.268 1.00 0.00 N flip ATOM 0 H GLN A 65 15.929 -8.690 -14.256 1.00 0.00 H new ATOM 0 HA GLN A 65 17.645 -9.764 -12.173 1.00 0.00 H new ATOM 0 HB2 GLN A 65 14.891 -10.494 -13.325 1.00 0.00 H new ATOM 0 HB3 GLN A 65 15.608 -11.306 -11.947 1.00 0.00 H new ATOM 0 HG2 GLN A 65 14.968 -8.323 -12.057 1.00 0.00 H new ATOM 0 HG3 GLN A 65 13.945 -9.532 -11.306 1.00 0.00 H new ATOM 0 HE21 GLN A 65 14.702 -10.480 -9.303 1.00 0.00 H new ATOM 0 HE22 GLN A 65 16.041 -9.747 -8.413 1.00 0.00 H new ATOM 1004 N THR A 66 17.386 -11.167 -15.082 1.00 0.00 N ATOM 1005 CA THR A 66 17.770 -12.284 -15.932 1.00 0.00 C ATOM 1006 C THR A 66 18.536 -11.886 -17.183 1.00 0.00 C ATOM 1007 O THR A 66 19.144 -12.728 -17.842 1.00 0.00 O ATOM 1008 CB THR A 66 16.569 -13.182 -16.261 1.00 0.00 C ATOM 1009 OG1 THR A 66 15.968 -12.730 -17.454 1.00 0.00 O ATOM 1010 CG2 THR A 66 15.504 -13.163 -15.169 1.00 0.00 C ATOM 0 H THR A 66 17.012 -10.370 -15.597 1.00 0.00 H new ATOM 0 HA THR A 66 18.478 -12.864 -15.340 1.00 0.00 H new ATOM 0 HB THR A 66 16.948 -14.200 -16.354 1.00 0.00 H new ATOM 0 HG1 THR A 66 15.201 -13.301 -17.671 1.00 0.00 H new ATOM 0 HG21 THR A 66 14.679 -13.815 -15.454 1.00 0.00 H new ATOM 0 HG22 THR A 66 15.937 -13.514 -14.232 1.00 0.00 H new ATOM 0 HG23 THR A 66 15.134 -12.146 -15.039 1.00 0.00 H new ATOM 1018 N ASN A 67 18.496 -10.589 -17.502 1.00 0.00 N ATOM 1019 CA ASN A 67 19.133 -10.008 -18.676 1.00 0.00 C ATOM 1020 C ASN A 67 18.573 -10.564 -19.989 1.00 0.00 C ATOM 1021 O ASN A 67 19.112 -10.283 -21.061 1.00 0.00 O ATOM 1022 CB ASN A 67 20.656 -10.125 -18.574 1.00 0.00 C ATOM 1023 CG ASN A 67 21.219 -9.339 -17.397 1.00 0.00 C ATOM 1024 OD1 ASN A 67 20.578 -8.447 -16.852 1.00 0.00 O ATOM 1025 ND2 ASN A 67 22.444 -9.674 -16.994 1.00 0.00 N ATOM 0 H ASN A 67 18.005 -9.900 -16.932 1.00 0.00 H new ATOM 0 HA ASN A 67 18.890 -8.946 -18.696 1.00 0.00 H new ATOM 0 HB2 ASN A 67 20.931 -11.175 -18.472 1.00 0.00 H new ATOM 0 HB3 ASN A 67 21.108 -9.765 -19.498 1.00 0.00 H new ATOM 0 HD21 ASN A 67 22.875 -9.183 -16.210 1.00 0.00 H new ATOM 0 HD22 ASN A 67 22.951 -10.421 -17.469 1.00 0.00 H new ATOM 1032 N LEU A 68 17.495 -11.351 -19.915 1.00 0.00 N ATOM 1033 CA LEU A 68 16.811 -11.860 -21.089 1.00 0.00 C ATOM 1034 C LEU A 68 15.848 -10.811 -21.638 1.00 0.00 C ATOM 1035 O LEU A 68 15.470 -9.870 -20.937 1.00 0.00 O ATOM 1036 CB LEU A 68 16.053 -13.141 -20.738 1.00 0.00 C ATOM 1037 CG LEU A 68 16.981 -14.250 -20.234 1.00 0.00 C ATOM 1038 CD1 LEU A 68 16.150 -15.480 -19.884 1.00 0.00 C ATOM 1039 CD2 LEU A 68 18.004 -14.634 -21.304 1.00 0.00 C ATOM 0 H LEU A 68 17.078 -11.649 -19.033 1.00 0.00 H new ATOM 0 HA LEU A 68 17.551 -12.087 -21.856 1.00 0.00 H new ATOM 0 HB2 LEU A 68 15.307 -12.921 -19.975 1.00 0.00 H new ATOM 0 HB3 LEU A 68 15.514 -13.494 -21.618 1.00 0.00 H new ATOM 0 HG LEU A 68 17.511 -13.883 -19.355 1.00 0.00 H new ATOM 0 HD11 LEU A 68 16.807 -16.272 -19.525 1.00 0.00 H new ATOM 0 HD12 LEU A 68 15.431 -15.224 -19.106 1.00 0.00 H new ATOM 0 HD13 LEU A 68 15.618 -15.824 -20.771 1.00 0.00 H new ATOM 0 HD21 LEU A 68 18.651 -15.423 -20.922 1.00 0.00 H new ATOM 0 HD22 LEU A 68 17.484 -14.990 -22.193 1.00 0.00 H new ATOM 0 HD23 LEU A 68 18.607 -13.763 -21.560 1.00 0.00 H new ATOM 1051 N SER A 69 15.456 -10.976 -22.901 1.00 0.00 N ATOM 1052 CA SER A 69 14.502 -10.084 -23.535 1.00 0.00 C ATOM 1053 C SER A 69 13.133 -10.222 -22.892 1.00 0.00 C ATOM 1054 O SER A 69 12.693 -11.331 -22.593 1.00 0.00 O ATOM 1055 CB SER A 69 14.426 -10.375 -25.034 1.00 0.00 C ATOM 1056 OG SER A 69 13.370 -9.638 -25.615 1.00 0.00 O ATOM 0 H SER A 69 15.791 -11.727 -23.504 1.00 0.00 H new ATOM 0 HA SER A 69 14.839 -9.057 -23.397 1.00 0.00 H new ATOM 0 HB2 SER A 69 15.370 -10.113 -25.512 1.00 0.00 H new ATOM 0 HB3 SER A 69 14.270 -11.441 -25.199 1.00 0.00 H new ATOM 0 HG SER A 69 13.328 -9.828 -26.576 1.00 0.00 H new ATOM 1062 N LYS A 70 12.458 -9.088 -22.682 1.00 0.00 N ATOM 1063 CA LYS A 70 11.095 -9.059 -22.164 1.00 0.00 C ATOM 1064 C LYS A 70 10.075 -9.407 -23.245 1.00 0.00 C ATOM 1065 O LYS A 70 8.871 -9.273 -23.028 1.00 0.00 O ATOM 1066 CB LYS A 70 10.790 -7.703 -21.528 1.00 0.00 C ATOM 1067 CG LYS A 70 11.647 -7.479 -20.283 1.00 0.00 C ATOM 1068 CD LYS A 70 11.069 -6.302 -19.496 1.00 0.00 C ATOM 1069 CE LYS A 70 11.790 -6.157 -18.158 1.00 0.00 C ATOM 1070 NZ LYS A 70 11.285 -4.992 -17.411 1.00 0.00 N ATOM 0 H LYS A 70 12.846 -8.163 -22.868 1.00 0.00 H new ATOM 0 HA LYS A 70 11.015 -9.823 -21.391 1.00 0.00 H new ATOM 0 HB2 LYS A 70 10.976 -6.908 -22.250 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.734 -7.651 -21.262 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.659 -8.377 -19.666 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.679 -7.274 -20.567 1.00 0.00 H new ATOM 0 HD2 LYS A 70 11.171 -5.383 -20.074 1.00 0.00 H new ATOM 0 HD3 LYS A 70 10.003 -6.456 -19.328 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.651 -7.062 -17.566 1.00 0.00 H new ATOM 0 HE3 LYS A 70 12.861 -6.048 -18.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.476 -5.120 -16.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.762 -4.131 -17.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.260 -4.901 -17.561 1.00 0.00 H new ATOM 1084 N CYS A 71 10.550 -9.856 -24.412 1.00 0.00 N ATOM 1085 CA CYS A 71 9.710 -10.268 -25.527 1.00 0.00 C ATOM 1086 C CYS A 71 8.828 -9.148 -26.088 1.00 0.00 C ATOM 1087 O CYS A 71 7.804 -9.423 -26.709 1.00 0.00 O ATOM 1088 CB CYS A 71 8.926 -11.531 -25.163 1.00 0.00 C ATOM 1089 SG CYS A 71 10.100 -12.891 -24.911 1.00 0.00 S ATOM 0 H CYS A 71 11.548 -9.942 -24.605 1.00 0.00 H new ATOM 0 HA CYS A 71 10.374 -10.513 -26.356 1.00 0.00 H new ATOM 0 HB2 CYS A 71 8.340 -11.365 -24.259 1.00 0.00 H new ATOM 0 HB3 CYS A 71 8.222 -11.781 -25.957 1.00 0.00 H new ATOM 0 HG CYS A 71 9.450 -13.973 -24.599 1.00 0.00 H new ATOM 1095 N PHE A 72 9.213 -7.883 -25.879 1.00 0.00 N ATOM 1096 CA PHE A 72 8.491 -6.757 -26.454 1.00 0.00 C ATOM 1097 C PHE A 72 9.511 -5.616 -26.510 1.00 0.00 C ATOM 1098 O PHE A 72 10.583 -5.699 -25.909 1.00 0.00 O ATOM 1099 CB PHE A 72 7.307 -6.421 -25.543 1.00 0.00 C ATOM 1100 CG PHE A 72 7.547 -5.426 -24.435 1.00 0.00 C ATOM 1101 CD1 PHE A 72 7.064 -4.119 -24.579 1.00 0.00 C ATOM 1102 CD2 PHE A 72 8.224 -5.799 -23.265 1.00 0.00 C ATOM 1103 CE1 PHE A 72 7.239 -3.190 -23.545 1.00 0.00 C ATOM 1104 CE2 PHE A 72 8.405 -4.868 -22.232 1.00 0.00 C ATOM 1105 CZ PHE A 72 7.911 -3.563 -22.371 1.00 0.00 C ATOM 0 H PHE A 72 10.021 -7.620 -25.315 1.00 0.00 H new ATOM 0 HA PHE A 72 8.086 -6.956 -27.446 1.00 0.00 H new ATOM 0 HB2 PHE A 72 6.498 -6.042 -26.167 1.00 0.00 H new ATOM 0 HB3 PHE A 72 6.954 -7.349 -25.093 1.00 0.00 H new ATOM 0 HD1 PHE A 72 6.557 -3.828 -25.487 1.00 0.00 H new ATOM 0 HD2 PHE A 72 8.606 -6.804 -23.159 1.00 0.00 H new ATOM 0 HE1 PHE A 72 6.856 -2.186 -23.652 1.00 0.00 H new ATOM 0 HE2 PHE A 72 8.925 -5.156 -21.330 1.00 0.00 H new ATOM 0 HZ PHE A 72 8.048 -2.846 -21.575 1.00 0.00 H new ATOM 1115 N GLY A 73 9.179 -4.542 -27.234 1.00 0.00 N ATOM 1116 CA GLY A 73 10.107 -3.453 -27.482 1.00 0.00 C ATOM 1117 C GLY A 73 9.419 -2.145 -27.872 1.00 0.00 C ATOM 1118 O GLY A 73 8.197 -2.011 -27.795 1.00 0.00 O ATOM 0 H GLY A 73 8.261 -4.411 -27.660 1.00 0.00 H new ATOM 0 HA2 GLY A 73 10.707 -3.286 -26.588 1.00 0.00 H new ATOM 0 HA3 GLY A 73 10.794 -3.745 -28.277 1.00 0.00 H new ATOM 1122 N PHE A 74 10.243 -1.183 -28.292 1.00 0.00 N ATOM 1123 CA PHE A 74 9.870 0.180 -28.630 1.00 0.00 C ATOM 1124 C PHE A 74 10.621 0.772 -29.824 1.00 0.00 C ATOM 1125 O PHE A 74 11.812 0.507 -29.992 1.00 0.00 O ATOM 1126 CB PHE A 74 9.885 1.051 -27.369 1.00 0.00 C ATOM 1127 CG PHE A 74 10.165 2.516 -27.605 1.00 0.00 C ATOM 1128 CD1 PHE A 74 11.354 3.080 -27.118 1.00 0.00 C ATOM 1129 CD2 PHE A 74 9.249 3.310 -28.310 1.00 0.00 C ATOM 1130 CE1 PHE A 74 11.662 4.414 -27.419 1.00 0.00 C ATOM 1131 CE2 PHE A 74 9.544 4.652 -28.588 1.00 0.00 C ATOM 1132 CZ PHE A 74 10.763 5.197 -28.157 1.00 0.00 C ATOM 0 H PHE A 74 11.242 -1.350 -28.410 1.00 0.00 H new ATOM 0 HA PHE A 74 8.846 0.157 -29.002 1.00 0.00 H new ATOM 0 HB2 PHE A 74 8.920 0.957 -26.870 1.00 0.00 H new ATOM 0 HB3 PHE A 74 10.637 0.659 -26.685 1.00 0.00 H new ATOM 0 HD1 PHE A 74 12.028 2.490 -26.515 1.00 0.00 H new ATOM 0 HD2 PHE A 74 8.312 2.886 -28.640 1.00 0.00 H new ATOM 0 HE1 PHE A 74 12.595 4.840 -27.081 1.00 0.00 H new ATOM 0 HE2 PHE A 74 8.837 5.263 -29.131 1.00 0.00 H new ATOM 0 HZ PHE A 74 11.009 6.221 -28.394 1.00 0.00 H new ATOM 1142 N VAL A 75 9.944 1.568 -30.656 1.00 0.00 N ATOM 1143 CA VAL A 75 10.536 2.169 -31.850 1.00 0.00 C ATOM 1144 C VAL A 75 9.913 3.551 -32.073 1.00 0.00 C ATOM 1145 O VAL A 75 8.784 3.790 -31.656 1.00 0.00 O ATOM 1146 CB VAL A 75 10.295 1.251 -33.060 1.00 0.00 C ATOM 1147 CG1 VAL A 75 10.779 1.891 -34.363 1.00 0.00 C ATOM 1148 CG2 VAL A 75 11.021 -0.086 -32.908 1.00 0.00 C ATOM 0 H VAL A 75 8.964 1.814 -30.518 1.00 0.00 H new ATOM 0 HA VAL A 75 11.612 2.287 -31.721 1.00 0.00 H new ATOM 0 HB VAL A 75 9.218 1.091 -33.099 1.00 0.00 H new ATOM 0 HG11 VAL A 75 10.591 1.211 -35.194 1.00 0.00 H new ATOM 0 HG12 VAL A 75 10.243 2.825 -34.530 1.00 0.00 H new ATOM 0 HG13 VAL A 75 11.848 2.093 -34.294 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.827 -0.707 -33.782 1.00 0.00 H new ATOM 0 HG22 VAL A 75 12.093 0.090 -32.819 1.00 0.00 H new ATOM 0 HG23 VAL A 75 10.662 -0.596 -32.014 1.00 0.00 H new ATOM 1158 N SER A 76 10.640 4.465 -32.727 1.00 0.00 N ATOM 1159 CA SER A 76 10.157 5.826 -32.947 1.00 0.00 C ATOM 1160 C SER A 76 10.567 6.391 -34.307 1.00 0.00 C ATOM 1161 O SER A 76 11.641 6.074 -34.813 1.00 0.00 O ATOM 1162 CB SER A 76 10.662 6.717 -31.815 1.00 0.00 C ATOM 1163 OG SER A 76 10.337 8.061 -32.079 1.00 0.00 O ATOM 0 H SER A 76 11.567 4.282 -33.112 1.00 0.00 H new ATOM 0 HA SER A 76 9.067 5.801 -32.950 1.00 0.00 H new ATOM 0 HB2 SER A 76 10.217 6.406 -30.870 1.00 0.00 H new ATOM 0 HB3 SER A 76 11.742 6.609 -31.710 1.00 0.00 H new ATOM 0 HG SER A 76 11.159 8.593 -32.126 1.00 0.00 H new ATOM 1169 N TYR A 77 9.703 7.231 -34.885 1.00 0.00 N ATOM 1170 CA TYR A 77 9.917 7.863 -36.184 1.00 0.00 C ATOM 1171 C TYR A 77 9.993 9.388 -36.163 1.00 0.00 C ATOM 1172 O TYR A 77 9.613 10.005 -35.170 1.00 0.00 O ATOM 1173 CB TYR A 77 8.855 7.387 -37.173 1.00 0.00 C ATOM 1174 CG TYR A 77 9.008 5.940 -37.561 1.00 0.00 C ATOM 1175 CD1 TYR A 77 8.356 4.956 -36.804 1.00 0.00 C ATOM 1176 CD2 TYR A 77 9.792 5.586 -38.668 1.00 0.00 C ATOM 1177 CE1 TYR A 77 8.491 3.606 -37.150 1.00 0.00 C ATOM 1178 CE2 TYR A 77 9.934 4.235 -39.016 1.00 0.00 C ATOM 1179 CZ TYR A 77 9.277 3.243 -38.259 1.00 0.00 C ATOM 1180 OH TYR A 77 9.399 1.931 -38.592 1.00 0.00 O ATOM 0 H TYR A 77 8.818 7.494 -34.451 1.00 0.00 H new ATOM 0 HA TYR A 77 10.909 7.545 -36.504 1.00 0.00 H new ATOM 0 HB2 TYR A 77 7.868 7.536 -36.735 1.00 0.00 H new ATOM 0 HB3 TYR A 77 8.902 8.004 -38.071 1.00 0.00 H new ATOM 0 HD1 TYR A 77 7.751 5.239 -35.956 1.00 0.00 H new ATOM 0 HD2 TYR A 77 10.285 6.351 -39.250 1.00 0.00 H new ATOM 0 HE1 TYR A 77 7.993 2.845 -36.567 1.00 0.00 H new ATOM 0 HE2 TYR A 77 10.545 3.955 -39.861 1.00 0.00 H new ATOM 0 HH TYR A 77 10.251 1.789 -39.054 1.00 0.00 H new ATOM 1190 N ASP A 78 10.474 10.007 -37.247 1.00 0.00 N ATOM 1191 CA ASP A 78 10.480 11.463 -37.353 1.00 0.00 C ATOM 1192 C ASP A 78 9.126 12.030 -37.769 1.00 0.00 C ATOM 1193 O ASP A 78 8.902 13.234 -37.664 1.00 0.00 O ATOM 1194 CB ASP A 78 11.586 11.956 -38.293 1.00 0.00 C ATOM 1195 CG ASP A 78 11.551 11.323 -39.684 1.00 0.00 C ATOM 1196 OD1 ASP A 78 12.393 11.741 -40.511 1.00 0.00 O ATOM 1197 OD2 ASP A 78 10.703 10.437 -39.918 1.00 0.00 O ATOM 0 H ASP A 78 10.861 9.522 -38.057 1.00 0.00 H new ATOM 0 HA ASP A 78 10.690 11.838 -36.351 1.00 0.00 H new ATOM 0 HB2 ASP A 78 11.505 13.038 -38.396 1.00 0.00 H new ATOM 0 HB3 ASP A 78 12.554 11.751 -37.836 1.00 0.00 H new ATOM 1202 N ASN A 79 8.223 11.168 -38.239 1.00 0.00 N ATOM 1203 CA ASN A 79 6.866 11.552 -38.603 1.00 0.00 C ATOM 1204 C ASN A 79 5.895 10.384 -38.443 1.00 0.00 C ATOM 1205 O ASN A 79 6.290 9.231 -38.629 1.00 0.00 O ATOM 1206 CB ASN A 79 6.822 12.140 -40.019 1.00 0.00 C ATOM 1207 CG ASN A 79 7.714 11.422 -41.029 1.00 0.00 C ATOM 1208 OD1 ASN A 79 8.336 12.070 -41.866 1.00 0.00 O ATOM 1209 ND2 ASN A 79 7.795 10.094 -40.967 1.00 0.00 N ATOM 0 H ASN A 79 8.418 10.177 -38.377 1.00 0.00 H new ATOM 0 HA ASN A 79 6.542 12.333 -37.915 1.00 0.00 H new ATOM 0 HB2 ASN A 79 5.793 12.114 -40.378 1.00 0.00 H new ATOM 0 HB3 ASN A 79 7.117 13.188 -39.973 1.00 0.00 H new ATOM 0 HD21 ASN A 79 8.386 9.588 -41.626 1.00 0.00 H new ATOM 0 HD22 ASN A 79 7.266 9.583 -40.260 1.00 0.00 H new ATOM 1216 N PRO A 80 4.631 10.666 -38.107 1.00 0.00 N ATOM 1217 CA PRO A 80 3.628 9.652 -37.839 1.00 0.00 C ATOM 1218 C PRO A 80 3.254 8.868 -39.093 1.00 0.00 C ATOM 1219 O PRO A 80 2.771 7.743 -38.989 1.00 0.00 O ATOM 1220 CB PRO A 80 2.424 10.422 -37.300 1.00 0.00 C ATOM 1221 CG PRO A 80 2.567 11.795 -37.955 1.00 0.00 C ATOM 1222 CD PRO A 80 4.076 11.997 -37.950 1.00 0.00 C ATOM 0 HA PRO A 80 3.998 8.908 -37.133 1.00 0.00 H new ATOM 0 HB2 PRO A 80 1.484 9.942 -37.572 1.00 0.00 H new ATOM 0 HB3 PRO A 80 2.444 10.491 -36.212 1.00 0.00 H new ATOM 0 HG2 PRO A 80 2.158 11.809 -38.965 1.00 0.00 H new ATOM 0 HG3 PRO A 80 2.050 12.571 -37.391 1.00 0.00 H new ATOM 0 HD2 PRO A 80 4.389 12.654 -38.761 1.00 0.00 H new ATOM 0 HD3 PRO A 80 4.410 12.457 -37.020 1.00 0.00 H new ATOM 1230 N VAL A 81 3.464 9.437 -40.284 1.00 0.00 N ATOM 1231 CA VAL A 81 3.111 8.753 -41.519 1.00 0.00 C ATOM 1232 C VAL A 81 3.899 7.451 -41.676 1.00 0.00 C ATOM 1233 O VAL A 81 3.360 6.447 -42.139 1.00 0.00 O ATOM 1234 CB VAL A 81 3.311 9.700 -42.701 1.00 0.00 C ATOM 1235 CG1 VAL A 81 4.786 10.021 -42.950 1.00 0.00 C ATOM 1236 CG2 VAL A 81 2.727 9.085 -43.972 1.00 0.00 C ATOM 0 H VAL A 81 3.874 10.362 -40.413 1.00 0.00 H new ATOM 0 HA VAL A 81 2.059 8.470 -41.486 1.00 0.00 H new ATOM 0 HB VAL A 81 2.796 10.627 -42.449 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.873 10.697 -43.800 1.00 0.00 H new ATOM 0 HG12 VAL A 81 5.210 10.495 -42.065 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.328 9.100 -43.163 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.875 9.768 -44.808 1.00 0.00 H new ATOM 0 HG22 VAL A 81 3.228 8.140 -44.182 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.661 8.907 -43.833 1.00 0.00 H new ATOM 1246 N SER A 82 5.176 7.475 -41.284 1.00 0.00 N ATOM 1247 CA SER A 82 6.027 6.299 -41.334 1.00 0.00 C ATOM 1248 C SER A 82 5.664 5.335 -40.211 1.00 0.00 C ATOM 1249 O SER A 82 5.825 4.125 -40.354 1.00 0.00 O ATOM 1250 CB SER A 82 7.481 6.736 -41.186 1.00 0.00 C ATOM 1251 OG SER A 82 8.310 5.600 -41.147 1.00 0.00 O ATOM 0 H SER A 82 5.640 8.309 -40.926 1.00 0.00 H new ATOM 0 HA SER A 82 5.885 5.790 -42.287 1.00 0.00 H new ATOM 0 HB2 SER A 82 7.765 7.379 -42.019 1.00 0.00 H new ATOM 0 HB3 SER A 82 7.605 7.322 -40.275 1.00 0.00 H new ATOM 0 HG SER A 82 8.459 5.336 -40.215 1.00 0.00 H new ATOM 1257 N ALA A 83 5.173 5.869 -39.089 1.00 0.00 N ATOM 1258 CA ALA A 83 4.856 5.049 -37.937 1.00 0.00 C ATOM 1259 C ALA A 83 3.590 4.239 -38.190 1.00 0.00 C ATOM 1260 O ALA A 83 3.571 3.035 -37.946 1.00 0.00 O ATOM 1261 CB ALA A 83 4.690 5.951 -36.715 1.00 0.00 C ATOM 0 H ALA A 83 4.990 6.864 -38.963 1.00 0.00 H new ATOM 0 HA ALA A 83 5.668 4.345 -37.755 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.451 5.342 -35.843 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.618 6.494 -36.535 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.883 6.661 -36.894 1.00 0.00 H new ATOM 1267 N GLN A 84 2.528 4.884 -38.682 1.00 0.00 N ATOM 1268 CA GLN A 84 1.266 4.199 -38.917 1.00 0.00 C ATOM 1269 C GLN A 84 1.413 3.161 -40.028 1.00 0.00 C ATOM 1270 O GLN A 84 0.698 2.158 -40.031 1.00 0.00 O ATOM 1271 CB GLN A 84 0.176 5.222 -39.249 1.00 0.00 C ATOM 1272 CG GLN A 84 -0.011 6.222 -38.102 1.00 0.00 C ATOM 1273 CD GLN A 84 -0.311 5.536 -36.775 1.00 0.00 C ATOM 1274 OE1 GLN A 84 -1.094 4.591 -36.712 1.00 0.00 O ATOM 1275 NE2 GLN A 84 0.310 6.007 -35.698 1.00 0.00 N ATOM 0 H GLN A 84 2.523 5.875 -38.922 1.00 0.00 H new ATOM 0 HA GLN A 84 0.975 3.667 -38.011 1.00 0.00 H new ATOM 0 HB2 GLN A 84 0.440 5.756 -40.162 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -0.764 4.706 -39.443 1.00 0.00 H new ATOM 0 HG2 GLN A 84 0.891 6.826 -38.000 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -0.825 6.904 -38.347 1.00 0.00 H new ATOM 0 HE21 GLN A 84 0.954 6.793 -35.784 1.00 0.00 H new ATOM 0 HE22 GLN A 84 0.142 5.582 -34.786 1.00 0.00 H new ATOM 1284 N ALA A 85 2.335 3.385 -40.973 1.00 0.00 N ATOM 1285 CA ALA A 85 2.614 2.395 -41.997 1.00 0.00 C ATOM 1286 C ALA A 85 3.293 1.178 -41.369 1.00 0.00 C ATOM 1287 O ALA A 85 2.936 0.042 -41.676 1.00 0.00 O ATOM 1288 CB ALA A 85 3.530 3.001 -43.055 1.00 0.00 C ATOM 0 H ALA A 85 2.891 4.237 -41.042 1.00 0.00 H new ATOM 0 HA ALA A 85 1.678 2.084 -42.461 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.739 2.257 -43.824 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.042 3.864 -43.508 1.00 0.00 H new ATOM 0 HB3 ALA A 85 4.464 3.315 -42.590 1.00 0.00 H new ATOM 1294 N ALA A 86 4.271 1.418 -40.493 1.00 0.00 N ATOM 1295 CA ALA A 86 4.998 0.350 -39.838 1.00 0.00 C ATOM 1296 C ALA A 86 4.100 -0.488 -38.923 1.00 0.00 C ATOM 1297 O ALA A 86 4.397 -1.660 -38.695 1.00 0.00 O ATOM 1298 CB ALA A 86 6.153 0.959 -39.049 1.00 0.00 C ATOM 0 H ALA A 86 4.573 2.355 -40.225 1.00 0.00 H new ATOM 0 HA ALA A 86 5.379 -0.329 -40.601 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.710 0.166 -38.550 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.815 1.495 -39.729 1.00 0.00 H new ATOM 0 HB3 ALA A 86 5.760 1.651 -38.304 1.00 0.00 H new ATOM 1304 N ILE A 87 3.007 0.081 -38.391 1.00 0.00 N ATOM 1305 CA ILE A 87 2.058 -0.711 -37.615 1.00 0.00 C ATOM 1306 C ILE A 87 1.398 -1.728 -38.530 1.00 0.00 C ATOM 1307 O ILE A 87 1.379 -2.916 -38.229 1.00 0.00 O ATOM 1308 CB ILE A 87 0.989 0.172 -36.958 1.00 0.00 C ATOM 1309 CG1 ILE A 87 1.638 1.122 -35.944 1.00 0.00 C ATOM 1310 CG2 ILE A 87 -0.060 -0.710 -36.265 1.00 0.00 C ATOM 1311 CD1 ILE A 87 0.604 1.916 -35.143 1.00 0.00 C ATOM 0 H ILE A 87 2.767 1.068 -38.485 1.00 0.00 H new ATOM 0 HA ILE A 87 2.601 -1.218 -36.818 1.00 0.00 H new ATOM 0 HB ILE A 87 0.498 0.768 -37.727 1.00 0.00 H new ATOM 0 HG12 ILE A 87 2.261 0.547 -35.259 1.00 0.00 H new ATOM 0 HG13 ILE A 87 2.297 1.814 -36.469 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.817 -0.078 -35.800 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -0.533 -1.360 -37.001 1.00 0.00 H new ATOM 0 HG23 ILE A 87 0.424 -1.319 -35.501 1.00 0.00 H new ATOM 0 HD11 ILE A 87 1.115 2.573 -34.440 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.002 2.514 -35.823 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -0.039 1.227 -34.595 1.00 0.00 H new ATOM 1323 N GLN A 88 0.856 -1.263 -39.655 1.00 0.00 N ATOM 1324 CA GLN A 88 0.189 -2.134 -40.609 1.00 0.00 C ATOM 1325 C GLN A 88 1.175 -3.096 -41.274 1.00 0.00 C ATOM 1326 O GLN A 88 0.762 -4.043 -41.939 1.00 0.00 O ATOM 1327 CB GLN A 88 -0.519 -1.281 -41.659 1.00 0.00 C ATOM 1328 CG GLN A 88 -1.601 -0.404 -41.014 1.00 0.00 C ATOM 1329 CD GLN A 88 -2.266 0.521 -42.022 1.00 0.00 C ATOM 1330 OE1 GLN A 88 -1.950 0.505 -43.211 1.00 0.00 O ATOM 1331 NE2 GLN A 88 -3.202 1.339 -41.555 1.00 0.00 N ATOM 0 H GLN A 88 0.869 -0.279 -39.925 1.00 0.00 H new ATOM 0 HA GLN A 88 -0.543 -2.740 -40.075 1.00 0.00 H new ATOM 0 HB2 GLN A 88 0.208 -0.651 -42.172 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -0.970 -1.926 -42.413 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -2.357 -1.041 -40.554 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -1.157 0.190 -40.216 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -3.441 1.328 -40.563 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -3.682 1.979 -42.188 1.00 0.00 H new ATOM 1340 N ALA A 89 2.479 -2.857 -41.095 1.00 0.00 N ATOM 1341 CA ALA A 89 3.522 -3.661 -41.707 1.00 0.00 C ATOM 1342 C ALA A 89 4.005 -4.791 -40.798 1.00 0.00 C ATOM 1343 O ALA A 89 4.469 -5.813 -41.303 1.00 0.00 O ATOM 1344 CB ALA A 89 4.687 -2.744 -42.054 1.00 0.00 C ATOM 0 H ALA A 89 2.834 -2.095 -40.517 1.00 0.00 H new ATOM 0 HA ALA A 89 3.111 -4.133 -42.600 1.00 0.00 H new ATOM 0 HB1 ALA A 89 5.484 -3.327 -42.516 1.00 0.00 H new ATOM 0 HB2 ALA A 89 4.350 -1.975 -42.749 1.00 0.00 H new ATOM 0 HB3 ALA A 89 5.062 -2.273 -41.146 1.00 0.00 H new ATOM 1350 N MET A 90 3.905 -4.625 -39.474 1.00 0.00 N ATOM 1351 CA MET A 90 4.400 -5.627 -38.530 1.00 0.00 C ATOM 1352 C MET A 90 3.316 -6.181 -37.606 1.00 0.00 C ATOM 1353 O MET A 90 3.514 -7.231 -36.997 1.00 0.00 O ATOM 1354 CB MET A 90 5.561 -5.042 -37.719 1.00 0.00 C ATOM 1355 CG MET A 90 6.804 -4.871 -38.593 1.00 0.00 C ATOM 1356 SD MET A 90 7.481 -6.412 -39.274 1.00 0.00 S ATOM 1357 CE MET A 90 7.882 -7.303 -37.743 1.00 0.00 C ATOM 0 H MET A 90 3.485 -3.806 -39.035 1.00 0.00 H new ATOM 0 HA MET A 90 4.749 -6.475 -39.119 1.00 0.00 H new ATOM 0 HB2 MET A 90 5.269 -4.078 -37.302 1.00 0.00 H new ATOM 0 HB3 MET A 90 5.790 -5.697 -36.878 1.00 0.00 H new ATOM 0 HG2 MET A 90 6.560 -4.203 -39.419 1.00 0.00 H new ATOM 0 HG3 MET A 90 7.579 -4.380 -38.004 1.00 0.00 H new ATOM 0 HE1 MET A 90 8.437 -8.209 -37.984 1.00 0.00 H new ATOM 0 HE2 MET A 90 8.489 -6.666 -37.100 1.00 0.00 H new ATOM 0 HE3 MET A 90 6.961 -7.569 -37.225 1.00 0.00 H new ATOM 1367 N ASN A 91 2.175 -5.499 -37.485 1.00 0.00 N ATOM 1368 CA ASN A 91 1.069 -6.016 -36.700 1.00 0.00 C ATOM 1369 C ASN A 91 0.543 -7.282 -37.376 1.00 0.00 C ATOM 1370 O ASN A 91 0.359 -7.307 -38.595 1.00 0.00 O ATOM 1371 CB ASN A 91 -0.020 -4.946 -36.598 1.00 0.00 C ATOM 1372 CG ASN A 91 -1.113 -5.317 -35.610 1.00 0.00 C ATOM 1373 OD1 ASN A 91 -0.966 -6.238 -34.812 1.00 0.00 O ATOM 1374 ND2 ASN A 91 -2.226 -4.592 -35.655 1.00 0.00 N ATOM 0 H ASN A 91 2.000 -4.593 -37.920 1.00 0.00 H new ATOM 0 HA ASN A 91 1.393 -6.266 -35.690 1.00 0.00 H new ATOM 0 HB2 ASN A 91 0.432 -4.001 -36.297 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -0.463 -4.788 -37.582 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -2.992 -4.794 -35.013 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -2.314 -3.834 -36.332 1.00 0.00 H new ATOM 1381 N GLY A 92 0.300 -8.330 -36.590 1.00 0.00 N ATOM 1382 CA GLY A 92 -0.199 -9.599 -37.100 1.00 0.00 C ATOM 1383 C GLY A 92 0.894 -10.450 -37.745 1.00 0.00 C ATOM 1384 O GLY A 92 0.593 -11.529 -38.257 1.00 0.00 O ATOM 0 H GLY A 92 0.445 -8.319 -35.580 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.655 -10.159 -36.284 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.983 -9.408 -37.832 1.00 0.00 H new ATOM 1388 N PHE A 93 2.153 -9.997 -37.737 1.00 0.00 N ATOM 1389 CA PHE A 93 3.242 -10.735 -38.360 1.00 0.00 C ATOM 1390 C PHE A 93 3.513 -12.035 -37.606 1.00 0.00 C ATOM 1391 O PHE A 93 3.831 -12.003 -36.421 1.00 0.00 O ATOM 1392 CB PHE A 93 4.492 -9.851 -38.421 1.00 0.00 C ATOM 1393 CG PHE A 93 5.715 -10.510 -39.020 1.00 0.00 C ATOM 1394 CD1 PHE A 93 6.008 -10.332 -40.382 1.00 0.00 C ATOM 1395 CD2 PHE A 93 6.563 -11.290 -38.222 1.00 0.00 C ATOM 1396 CE1 PHE A 93 7.147 -10.928 -40.942 1.00 0.00 C ATOM 1397 CE2 PHE A 93 7.701 -11.884 -38.784 1.00 0.00 C ATOM 1398 CZ PHE A 93 7.994 -11.705 -40.145 1.00 0.00 C ATOM 0 H PHE A 93 2.437 -9.119 -37.303 1.00 0.00 H new ATOM 0 HA PHE A 93 2.959 -11.004 -39.378 1.00 0.00 H new ATOM 0 HB2 PHE A 93 4.259 -8.958 -39.001 1.00 0.00 H new ATOM 0 HB3 PHE A 93 4.734 -9.521 -37.411 1.00 0.00 H new ATOM 0 HD1 PHE A 93 5.354 -9.734 -41.000 1.00 0.00 H new ATOM 0 HD2 PHE A 93 6.340 -11.433 -37.175 1.00 0.00 H new ATOM 0 HE1 PHE A 93 7.370 -10.787 -41.989 1.00 0.00 H new ATOM 0 HE2 PHE A 93 8.355 -12.482 -38.167 1.00 0.00 H new ATOM 0 HZ PHE A 93 8.871 -12.166 -40.575 1.00 0.00 H new ATOM 1408 N GLN A 94 3.384 -13.183 -38.279 1.00 0.00 N ATOM 1409 CA GLN A 94 3.547 -14.474 -37.623 1.00 0.00 C ATOM 1410 C GLN A 94 5.023 -14.824 -37.426 1.00 0.00 C ATOM 1411 O GLN A 94 5.809 -14.801 -38.371 1.00 0.00 O ATOM 1412 CB GLN A 94 2.821 -15.560 -38.423 1.00 0.00 C ATOM 1413 CG GLN A 94 2.987 -16.919 -37.735 1.00 0.00 C ATOM 1414 CD GLN A 94 2.234 -18.029 -38.460 1.00 0.00 C ATOM 1415 OE1 GLN A 94 1.435 -17.780 -39.359 1.00 0.00 O ATOM 1416 NE2 GLN A 94 2.485 -19.275 -38.066 1.00 0.00 N ATOM 0 H GLN A 94 3.168 -13.239 -39.274 1.00 0.00 H new ATOM 0 HA GLN A 94 3.101 -14.413 -36.630 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.763 -15.314 -38.509 1.00 0.00 H new ATOM 0 HB3 GLN A 94 3.221 -15.605 -39.436 1.00 0.00 H new ATOM 0 HG2 GLN A 94 4.046 -17.173 -37.687 1.00 0.00 H new ATOM 0 HG3 GLN A 94 2.629 -16.850 -36.708 1.00 0.00 H new ATOM 0 HE21 GLN A 94 3.155 -19.448 -37.316 1.00 0.00 H new ATOM 0 HE22 GLN A 94 2.008 -20.057 -38.514 1.00 0.00 H new ATOM 1425 N ILE A 95 5.393 -15.146 -36.184 1.00 0.00 N ATOM 1426 CA ILE A 95 6.751 -15.519 -35.824 1.00 0.00 C ATOM 1427 C ILE A 95 6.728 -16.379 -34.554 1.00 0.00 C ATOM 1428 O ILE A 95 6.021 -16.060 -33.598 1.00 0.00 O ATOM 1429 CB ILE A 95 7.570 -14.239 -35.625 1.00 0.00 C ATOM 1430 CG1 ILE A 95 9.041 -14.557 -35.357 1.00 0.00 C ATOM 1431 CG2 ILE A 95 7.006 -13.390 -34.484 1.00 0.00 C ATOM 1432 CD1 ILE A 95 9.868 -13.271 -35.351 1.00 0.00 C ATOM 0 H ILE A 95 4.746 -15.153 -35.396 1.00 0.00 H new ATOM 0 HA ILE A 95 7.213 -16.110 -36.615 1.00 0.00 H new ATOM 0 HB ILE A 95 7.501 -13.668 -36.551 1.00 0.00 H new ATOM 0 HG12 ILE A 95 9.141 -15.067 -34.399 1.00 0.00 H new ATOM 0 HG13 ILE A 95 9.418 -15.237 -36.121 1.00 0.00 H new ATOM 0 HG21 ILE A 95 7.609 -12.489 -34.368 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.977 -13.111 -34.712 1.00 0.00 H new ATOM 0 HG23 ILE A 95 7.029 -13.964 -33.558 1.00 0.00 H new ATOM 0 HD11 ILE A 95 10.914 -13.512 -35.159 1.00 0.00 H new ATOM 0 HD12 ILE A 95 9.781 -12.778 -36.319 1.00 0.00 H new ATOM 0 HD13 ILE A 95 9.500 -12.605 -34.570 1.00 0.00 H new ATOM 1444 N GLY A 96 7.495 -17.471 -34.521 1.00 0.00 N ATOM 1445 CA GLY A 96 7.579 -18.301 -33.323 1.00 0.00 C ATOM 1446 C GLY A 96 6.218 -18.880 -32.936 1.00 0.00 C ATOM 1447 O GLY A 96 5.944 -19.077 -31.753 1.00 0.00 O ATOM 0 H GLY A 96 8.061 -17.797 -35.304 1.00 0.00 H new ATOM 0 HA2 GLY A 96 8.285 -19.114 -33.493 1.00 0.00 H new ATOM 0 HA3 GLY A 96 7.970 -17.708 -32.496 1.00 0.00 H new ATOM 1451 N MET A 97 5.366 -19.148 -33.931 1.00 0.00 N ATOM 1452 CA MET A 97 4.018 -19.673 -33.741 1.00 0.00 C ATOM 1453 C MET A 97 3.077 -18.717 -32.998 1.00 0.00 C ATOM 1454 O MET A 97 2.082 -19.157 -32.423 1.00 0.00 O ATOM 1455 CB MET A 97 4.056 -21.077 -33.132 1.00 0.00 C ATOM 1456 CG MET A 97 4.859 -22.026 -34.023 1.00 0.00 C ATOM 1457 SD MET A 97 4.938 -23.737 -33.422 1.00 0.00 S ATOM 1458 CE MET A 97 5.905 -23.492 -31.913 1.00 0.00 C ATOM 0 H MET A 97 5.604 -19.001 -34.912 1.00 0.00 H new ATOM 0 HA MET A 97 3.576 -19.760 -34.733 1.00 0.00 H new ATOM 0 HB2 MET A 97 4.502 -21.037 -32.138 1.00 0.00 H new ATOM 0 HB3 MET A 97 3.041 -21.455 -33.010 1.00 0.00 H new ATOM 0 HG2 MET A 97 4.421 -22.025 -35.021 1.00 0.00 H new ATOM 0 HG3 MET A 97 5.874 -21.641 -34.120 1.00 0.00 H new ATOM 0 HE1 MET A 97 6.260 -24.456 -31.548 1.00 0.00 H new ATOM 0 HE2 MET A 97 6.758 -22.848 -32.128 1.00 0.00 H new ATOM 0 HE3 MET A 97 5.280 -23.024 -31.152 1.00 0.00 H new ATOM 1468 N LYS A 98 3.382 -17.412 -33.008 1.00 0.00 N ATOM 1469 CA LYS A 98 2.494 -16.386 -32.468 1.00 0.00 C ATOM 1470 C LYS A 98 2.614 -15.126 -33.325 1.00 0.00 C ATOM 1471 O LYS A 98 3.630 -14.925 -33.984 1.00 0.00 O ATOM 1472 CB LYS A 98 2.823 -16.134 -30.990 1.00 0.00 C ATOM 1473 CG LYS A 98 1.782 -15.216 -30.335 1.00 0.00 C ATOM 1474 CD LYS A 98 1.841 -15.304 -28.806 1.00 0.00 C ATOM 1475 CE LYS A 98 3.166 -14.775 -28.259 1.00 0.00 C ATOM 1476 NZ LYS A 98 3.306 -15.088 -26.821 1.00 0.00 N ATOM 0 H LYS A 98 4.252 -17.043 -33.392 1.00 0.00 H new ATOM 0 HA LYS A 98 1.456 -16.716 -32.505 1.00 0.00 H new ATOM 0 HB2 LYS A 98 2.860 -17.084 -30.457 1.00 0.00 H new ATOM 0 HB3 LYS A 98 3.812 -15.683 -30.907 1.00 0.00 H new ATOM 0 HG2 LYS A 98 1.954 -14.186 -30.648 1.00 0.00 H new ATOM 0 HG3 LYS A 98 0.785 -15.491 -30.678 1.00 0.00 H new ATOM 0 HD2 LYS A 98 1.017 -14.734 -28.377 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.707 -16.340 -28.496 1.00 0.00 H new ATOM 0 HE2 LYS A 98 3.995 -15.216 -28.813 1.00 0.00 H new ATOM 0 HE3 LYS A 98 3.221 -13.697 -28.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 4.163 -14.632 -26.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 2.474 -14.734 -26.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 3.379 -16.118 -26.695 1.00 0.00 H new ATOM 1490 N ARG A 99 1.593 -14.266 -33.342 1.00 0.00 N ATOM 1491 CA ARG A 99 1.622 -13.073 -34.178 1.00 0.00 C ATOM 1492 C ARG A 99 2.046 -11.850 -33.376 1.00 0.00 C ATOM 1493 O ARG A 99 1.558 -11.640 -32.269 1.00 0.00 O ATOM 1494 CB ARG A 99 0.265 -12.869 -34.848 1.00 0.00 C ATOM 1495 CG ARG A 99 -0.023 -14.009 -35.829 1.00 0.00 C ATOM 1496 CD ARG A 99 -1.369 -13.795 -36.513 1.00 0.00 C ATOM 1497 NE ARG A 99 -1.664 -14.882 -37.453 1.00 0.00 N ATOM 1498 CZ ARG A 99 -1.300 -14.892 -38.739 1.00 0.00 C ATOM 1499 NH1 ARG A 99 -0.621 -13.882 -39.272 1.00 0.00 N ATOM 1500 NH2 ARG A 99 -1.623 -15.926 -39.510 1.00 0.00 N ATOM 0 H ARG A 99 0.743 -14.376 -32.789 1.00 0.00 H new ATOM 0 HA ARG A 99 2.367 -13.213 -34.961 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -0.518 -12.825 -34.091 1.00 0.00 H new ATOM 0 HB3 ARG A 99 0.252 -11.915 -35.375 1.00 0.00 H new ATOM 0 HG2 ARG A 99 0.768 -14.062 -36.577 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -0.025 -14.962 -35.299 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -2.157 -13.736 -35.762 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -1.363 -12.843 -37.044 1.00 0.00 H new ATOM 0 HE ARG A 99 -2.183 -15.686 -37.101 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -0.367 -13.078 -38.697 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -0.353 -13.910 -40.256 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -2.147 -16.709 -39.120 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -1.346 -15.936 -40.492 1.00 0.00 H new ATOM 1514 N LEU A 100 2.951 -11.043 -33.930 1.00 0.00 N ATOM 1515 CA LEU A 100 3.410 -9.828 -33.280 1.00 0.00 C ATOM 1516 C LEU A 100 2.280 -8.816 -33.134 1.00 0.00 C ATOM 1517 O LEU A 100 1.565 -8.531 -34.094 1.00 0.00 O ATOM 1518 CB LEU A 100 4.556 -9.204 -34.080 1.00 0.00 C ATOM 1519 CG LEU A 100 5.777 -10.121 -34.178 1.00 0.00 C ATOM 1520 CD1 LEU A 100 6.879 -9.406 -34.953 1.00 0.00 C ATOM 1521 CD2 LEU A 100 6.297 -10.483 -32.792 1.00 0.00 C ATOM 0 H LEU A 100 3.381 -11.217 -34.838 1.00 0.00 H new ATOM 0 HA LEU A 100 3.762 -10.096 -32.284 1.00 0.00 H new ATOM 0 HB2 LEU A 100 4.205 -8.965 -35.084 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.850 -8.264 -33.613 1.00 0.00 H new ATOM 0 HG LEU A 100 5.484 -11.037 -34.691 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.752 -10.055 -35.026 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.522 -9.164 -35.954 1.00 0.00 H new ATOM 0 HD13 LEU A 100 7.152 -8.487 -34.433 1.00 0.00 H new ATOM 0 HD21 LEU A 100 7.165 -11.135 -32.888 1.00 0.00 H new ATOM 0 HD22 LEU A 100 6.583 -9.574 -32.262 1.00 0.00 H new ATOM 0 HD23 LEU A 100 5.516 -10.998 -32.233 1.00 0.00 H new ATOM 1533 N LYS A 101 2.127 -8.275 -31.924 1.00 0.00 N ATOM 1534 CA LYS A 101 1.214 -7.174 -31.663 1.00 0.00 C ATOM 1535 C LYS A 101 1.985 -5.867 -31.830 1.00 0.00 C ATOM 1536 O LYS A 101 3.119 -5.764 -31.370 1.00 0.00 O ATOM 1537 CB LYS A 101 0.623 -7.333 -30.261 1.00 0.00 C ATOM 1538 CG LYS A 101 -0.288 -6.159 -29.892 1.00 0.00 C ATOM 1539 CD LYS A 101 -0.672 -6.219 -28.409 1.00 0.00 C ATOM 1540 CE LYS A 101 -1.448 -7.488 -28.046 1.00 0.00 C ATOM 1541 NZ LYS A 101 -2.753 -7.547 -28.732 1.00 0.00 N ATOM 0 H LYS A 101 2.636 -8.593 -31.099 1.00 0.00 H new ATOM 0 HA LYS A 101 0.380 -7.168 -32.364 1.00 0.00 H new ATOM 0 HB2 LYS A 101 0.057 -8.263 -30.208 1.00 0.00 H new ATOM 0 HB3 LYS A 101 1.430 -7.410 -29.533 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.219 -5.218 -30.104 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.187 -6.182 -30.507 1.00 0.00 H new ATOM 0 HD2 LYS A 101 0.232 -6.166 -27.802 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -1.275 -5.346 -28.159 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -0.857 -8.364 -28.313 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -1.602 -7.524 -26.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -3.291 -8.366 -28.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -3.286 -6.675 -28.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -2.603 -7.641 -29.757 1.00 0.00 H new ATOM 1555 N VAL A 102 1.373 -4.874 -32.478 1.00 0.00 N ATOM 1556 CA VAL A 102 1.970 -3.555 -32.639 1.00 0.00 C ATOM 1557 C VAL A 102 0.929 -2.490 -32.324 1.00 0.00 C ATOM 1558 O VAL A 102 -0.213 -2.597 -32.775 1.00 0.00 O ATOM 1559 CB VAL A 102 2.565 -3.402 -34.044 1.00 0.00 C ATOM 1560 CG1 VAL A 102 3.253 -2.048 -34.224 1.00 0.00 C ATOM 1561 CG2 VAL A 102 3.590 -4.499 -34.332 1.00 0.00 C ATOM 0 H VAL A 102 0.451 -4.965 -32.904 1.00 0.00 H new ATOM 0 HA VAL A 102 2.796 -3.431 -31.938 1.00 0.00 H new ATOM 0 HB VAL A 102 1.730 -3.479 -34.740 1.00 0.00 H new ATOM 0 HG11 VAL A 102 3.661 -1.979 -35.232 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.528 -1.248 -34.070 1.00 0.00 H new ATOM 0 HG13 VAL A 102 4.060 -1.951 -33.498 1.00 0.00 H new ATOM 0 HG21 VAL A 102 3.995 -4.365 -35.335 1.00 0.00 H new ATOM 0 HG22 VAL A 102 4.399 -4.441 -33.604 1.00 0.00 H new ATOM 0 HG23 VAL A 102 3.108 -5.474 -34.263 1.00 0.00 H new ATOM 1571 N GLN A 103 1.304 -1.463 -31.557 1.00 0.00 N ATOM 1572 CA GLN A 103 0.350 -0.456 -31.106 1.00 0.00 C ATOM 1573 C GLN A 103 1.019 0.904 -30.911 1.00 0.00 C ATOM 1574 O GLN A 103 2.236 0.986 -30.779 1.00 0.00 O ATOM 1575 CB GLN A 103 -0.291 -0.957 -29.804 1.00 0.00 C ATOM 1576 CG GLN A 103 -1.434 -0.051 -29.331 1.00 0.00 C ATOM 1577 CD GLN A 103 -2.346 -0.749 -28.325 1.00 0.00 C ATOM 1578 OE1 GLN A 103 -1.855 -1.791 -27.655 1.00 0.00 O flip ATOM 1579 NE2 GLN A 103 -3.491 -0.348 -28.142 1.00 0.00 N flip ATOM 0 H GLN A 103 2.261 -1.310 -31.238 1.00 0.00 H new ATOM 0 HA GLN A 103 -0.418 -0.312 -31.865 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -0.670 -1.968 -29.954 1.00 0.00 H new ATOM 0 HB3 GLN A 103 0.470 -1.014 -29.026 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -1.018 0.849 -28.878 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -2.022 0.268 -30.191 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -3.841 0.452 -28.669 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -4.092 -0.815 -27.463 1.00 0.00 H new ATOM 1588 N LEU A 104 0.225 1.979 -30.894 1.00 0.00 N ATOM 1589 CA LEU A 104 0.721 3.329 -30.656 1.00 0.00 C ATOM 1590 C LEU A 104 1.010 3.526 -29.163 1.00 0.00 C ATOM 1591 O LEU A 104 0.348 2.923 -28.315 1.00 0.00 O ATOM 1592 CB LEU A 104 -0.341 4.321 -31.145 1.00 0.00 C ATOM 1593 CG LEU A 104 0.248 5.512 -31.909 1.00 0.00 C ATOM 1594 CD1 LEU A 104 -0.900 6.284 -32.555 1.00 0.00 C ATOM 1595 CD2 LEU A 104 1.019 6.460 -30.992 1.00 0.00 C ATOM 0 H LEU A 104 -0.783 1.932 -31.046 1.00 0.00 H new ATOM 0 HA LEU A 104 1.652 3.495 -31.198 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.047 3.798 -31.790 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.905 4.691 -30.288 1.00 0.00 H new ATOM 0 HG LEU A 104 0.944 5.127 -32.654 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -0.501 7.137 -33.104 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.438 5.630 -33.241 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -1.582 6.637 -31.781 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.418 7.288 -31.578 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.350 6.848 -30.224 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.840 5.921 -30.519 1.00 0.00 H new ATOM 1607 N LYS A 105 1.990 4.366 -28.828 1.00 0.00 N ATOM 1608 CA LYS A 105 2.282 4.730 -27.443 1.00 0.00 C ATOM 1609 C LYS A 105 1.064 5.426 -26.835 1.00 0.00 C ATOM 1610 O LYS A 105 0.406 6.216 -27.517 1.00 0.00 O ATOM 1611 CB LYS A 105 3.525 5.626 -27.404 1.00 0.00 C ATOM 1612 CG LYS A 105 3.862 6.064 -25.977 1.00 0.00 C ATOM 1613 CD LYS A 105 5.119 6.934 -25.973 1.00 0.00 C ATOM 1614 CE LYS A 105 5.466 7.309 -24.531 1.00 0.00 C ATOM 1615 NZ LYS A 105 6.583 8.266 -24.465 1.00 0.00 N ATOM 0 H LYS A 105 2.603 4.813 -29.510 1.00 0.00 H new ATOM 0 HA LYS A 105 2.491 3.839 -26.852 1.00 0.00 H new ATOM 0 HB2 LYS A 105 4.373 5.090 -27.830 1.00 0.00 H new ATOM 0 HB3 LYS A 105 3.359 6.506 -28.025 1.00 0.00 H new ATOM 0 HG2 LYS A 105 3.026 6.619 -25.552 1.00 0.00 H new ATOM 0 HG3 LYS A 105 4.016 5.188 -25.347 1.00 0.00 H new ATOM 0 HD2 LYS A 105 5.949 6.397 -26.432 1.00 0.00 H new ATOM 0 HD3 LYS A 105 4.955 7.834 -26.566 1.00 0.00 H new ATOM 0 HE2 LYS A 105 4.590 7.740 -24.047 1.00 0.00 H new ATOM 0 HE3 LYS A 105 5.726 6.409 -23.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 6.753 8.533 -23.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 7.440 7.827 -24.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 6.346 9.115 -25.017 1.00 0.00 H new ATOM 1629 N ARG A 106 0.756 5.146 -25.566 1.00 0.00 N ATOM 1630 CA ARG A 106 -0.429 5.705 -24.923 1.00 0.00 C ATOM 1631 C ARG A 106 -0.210 7.173 -24.563 1.00 0.00 C ATOM 1632 O ARG A 106 0.926 7.633 -24.459 1.00 0.00 O ATOM 1633 CB ARG A 106 -0.803 4.877 -23.687 1.00 0.00 C ATOM 1634 CG ARG A 106 0.229 4.998 -22.561 1.00 0.00 C ATOM 1635 CD ARG A 106 -0.275 4.287 -21.308 1.00 0.00 C ATOM 1636 NE ARG A 106 -0.428 2.846 -21.525 1.00 0.00 N ATOM 1637 CZ ARG A 106 -1.389 2.091 -20.980 1.00 0.00 C ATOM 1638 NH1 ARG A 106 -2.293 2.609 -20.153 1.00 0.00 N ATOM 1639 NH2 ARG A 106 -1.447 0.792 -21.266 1.00 0.00 N ATOM 0 H ARG A 106 1.312 4.536 -24.967 1.00 0.00 H new ATOM 0 HA ARG A 106 -1.261 5.660 -25.626 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -1.776 5.201 -23.319 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -0.902 3.830 -23.973 1.00 0.00 H new ATOM 0 HG2 ARG A 106 1.177 4.564 -22.878 1.00 0.00 H new ATOM 0 HG3 ARG A 106 0.417 6.049 -22.341 1.00 0.00 H new ATOM 0 HD2 ARG A 106 0.421 4.459 -20.487 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -1.232 4.713 -21.008 1.00 0.00 H new ATOM 0 HE ARG A 106 0.247 2.385 -22.136 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -2.263 3.602 -19.922 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -3.016 2.013 -19.750 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -0.761 0.378 -21.897 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -2.177 0.211 -20.854 1.00 0.00 H new ATOM 1653 N SER A 107 -1.306 7.913 -24.369 1.00 0.00 N ATOM 1654 CA SER A 107 -1.246 9.312 -23.971 1.00 0.00 C ATOM 1655 C SER A 107 -0.670 9.436 -22.565 1.00 0.00 C ATOM 1656 O SER A 107 -0.701 8.478 -21.794 1.00 0.00 O ATOM 1657 CB SER A 107 -2.647 9.916 -24.034 1.00 0.00 C ATOM 1658 OG SER A 107 -2.627 11.251 -23.571 1.00 0.00 O ATOM 0 H SER A 107 -2.254 7.555 -24.484 1.00 0.00 H new ATOM 0 HA SER A 107 -0.593 9.856 -24.654 1.00 0.00 H new ATOM 0 HB2 SER A 107 -3.018 9.885 -25.058 1.00 0.00 H new ATOM 0 HB3 SER A 107 -3.333 9.324 -23.428 1.00 0.00 H new ATOM 0 HG SER A 107 -3.531 11.627 -23.618 1.00 0.00 H new ATOM 1664 N LYS A 108 -0.143 10.615 -22.221 1.00 0.00 N ATOM 1665 CA LYS A 108 0.415 10.842 -20.895 1.00 0.00 C ATOM 1666 C LYS A 108 -0.678 10.848 -19.827 1.00 0.00 C ATOM 1667 O LYS A 108 -0.377 10.720 -18.642 1.00 0.00 O ATOM 1668 CB LYS A 108 1.245 12.130 -20.870 1.00 0.00 C ATOM 1669 CG LYS A 108 0.421 13.422 -20.826 1.00 0.00 C ATOM 1670 CD LYS A 108 -0.423 13.637 -22.082 1.00 0.00 C ATOM 1671 CE LYS A 108 -1.224 14.930 -21.955 1.00 0.00 C ATOM 1672 NZ LYS A 108 -0.342 16.112 -21.880 1.00 0.00 N ATOM 0 H LYS A 108 -0.094 11.421 -22.844 1.00 0.00 H new ATOM 0 HA LYS A 108 1.084 10.014 -20.660 1.00 0.00 H new ATOM 0 HB2 LYS A 108 1.903 12.105 -20.002 1.00 0.00 H new ATOM 0 HB3 LYS A 108 1.883 12.152 -21.753 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -0.234 13.399 -19.955 1.00 0.00 H new ATOM 0 HG3 LYS A 108 1.093 14.270 -20.697 1.00 0.00 H new ATOM 0 HD2 LYS A 108 0.221 13.683 -22.960 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -1.098 12.793 -22.226 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -1.894 15.029 -22.809 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -1.849 14.885 -21.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -0.897 16.972 -22.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 0.080 16.171 -20.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 0.413 16.027 -22.590 1.00 0.00 H new ATOM 1686 N ASN A 109 -1.944 10.992 -20.233 1.00 0.00 N ATOM 1687 CA ASN A 109 -3.075 10.900 -19.322 1.00 0.00 C ATOM 1688 C ASN A 109 -3.511 9.447 -19.135 1.00 0.00 C ATOM 1689 O ASN A 109 -4.237 9.140 -18.192 1.00 0.00 O ATOM 1690 CB ASN A 109 -4.230 11.748 -19.865 1.00 0.00 C ATOM 1691 CG ASN A 109 -3.907 13.238 -19.859 1.00 0.00 C ATOM 1692 OD1 ASN A 109 -3.035 13.696 -19.127 1.00 0.00 O ATOM 1693 ND2 ASN A 109 -4.612 14.007 -20.684 1.00 0.00 N ATOM 0 H ASN A 109 -2.206 11.175 -21.202 1.00 0.00 H new ATOM 0 HA ASN A 109 -2.777 11.280 -18.345 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -4.462 11.433 -20.882 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -5.122 11.570 -19.265 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -4.435 15.011 -20.722 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -5.330 13.593 -21.279 1.00 0.00 H new ATOM 1700 N ASP A 110 -3.070 8.556 -20.030 1.00 0.00 N ATOM 1701 CA ASP A 110 -3.400 7.140 -19.956 1.00 0.00 C ATOM 1702 C ASP A 110 -2.437 6.345 -19.079 1.00 0.00 C ATOM 1703 O ASP A 110 -2.698 5.186 -18.761 1.00 0.00 O ATOM 1704 CB ASP A 110 -3.489 6.547 -21.364 1.00 0.00 C ATOM 1705 CG ASP A 110 -4.664 7.092 -22.176 1.00 0.00 C ATOM 1706 OD1 ASP A 110 -4.711 6.772 -23.385 1.00 0.00 O ATOM 1707 OD2 ASP A 110 -5.504 7.822 -21.602 1.00 0.00 O ATOM 0 H ASP A 110 -2.476 8.802 -20.822 1.00 0.00 H new ATOM 0 HA ASP A 110 -4.374 7.062 -19.473 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -2.561 6.754 -21.897 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -3.579 5.463 -21.289 1.00 0.00 H new ATOM 1712 N SER A 111 -1.321 6.968 -18.688 1.00 0.00 N ATOM 1713 CA SER A 111 -0.346 6.362 -17.792 1.00 0.00 C ATOM 1714 C SER A 111 -0.697 6.653 -16.330 1.00 0.00 C ATOM 1715 O SER A 111 -0.211 5.976 -15.422 1.00 0.00 O ATOM 1716 CB SER A 111 1.035 6.915 -18.144 1.00 0.00 C ATOM 1717 OG SER A 111 2.022 6.399 -17.276 1.00 0.00 O ATOM 0 H SER A 111 -1.073 7.911 -18.988 1.00 0.00 H new ATOM 0 HA SER A 111 -0.351 5.279 -17.914 1.00 0.00 H new ATOM 0 HB2 SER A 111 1.282 6.659 -19.174 1.00 0.00 H new ATOM 0 HB3 SER A 111 1.022 8.003 -18.080 1.00 0.00 H new ATOM 0 HG SER A 111 2.897 6.765 -17.521 1.00 0.00 H new ATOM 1723 N LYS A 112 -1.545 7.663 -16.101 1.00 0.00 N ATOM 1724 CA LYS A 112 -1.963 8.066 -14.765 1.00 0.00 C ATOM 1725 C LYS A 112 -2.874 7.014 -14.129 1.00 0.00 C ATOM 1726 O LYS A 112 -3.574 6.293 -14.844 1.00 0.00 O ATOM 1727 CB LYS A 112 -2.681 9.418 -14.840 1.00 0.00 C ATOM 1728 CG LYS A 112 -1.733 10.496 -15.370 1.00 0.00 C ATOM 1729 CD LYS A 112 -2.473 11.823 -15.530 1.00 0.00 C ATOM 1730 CE LYS A 112 -1.512 12.873 -16.082 1.00 0.00 C ATOM 1731 NZ LYS A 112 -2.196 14.152 -16.351 1.00 0.00 N ATOM 0 H LYS A 112 -1.959 8.223 -16.846 1.00 0.00 H new ATOM 0 HA LYS A 112 -1.077 8.160 -14.137 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -3.552 9.339 -15.490 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -3.045 9.699 -13.852 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -0.894 10.620 -14.685 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -1.318 10.185 -16.329 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -3.322 11.701 -16.203 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -2.872 12.148 -14.569 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -0.703 13.036 -15.370 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -1.058 12.503 -17.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -1.521 14.936 -16.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -2.570 14.148 -17.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -2.980 14.275 -15.678 1.00 0.00 H new ATOM 1745 N PRO A 113 -2.874 6.916 -12.793 1.00 0.00 N ATOM 1746 CA PRO A 113 -3.711 5.990 -12.049 1.00 0.00 C ATOM 1747 C PRO A 113 -5.164 6.468 -12.007 1.00 0.00 C ATOM 1748 O PRO A 113 -6.058 5.702 -11.652 1.00 0.00 O ATOM 1749 CB PRO A 113 -3.107 5.974 -10.643 1.00 0.00 C ATOM 1750 CG PRO A 113 -2.574 7.396 -10.493 1.00 0.00 C ATOM 1751 CD PRO A 113 -2.052 7.704 -11.893 1.00 0.00 C ATOM 0 HA PRO A 113 -3.733 5.001 -12.506 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -3.853 5.739 -9.884 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -2.314 5.232 -10.551 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -3.356 8.092 -10.189 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -1.785 7.456 -9.744 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -2.133 8.768 -12.117 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -0.999 7.437 -11.987 1.00 0.00 H new ATOM 1759 N TRP A 114 -5.397 7.733 -12.370 1.00 0.00 N ATOM 1760 CA TRP A 114 -6.722 8.338 -12.378 1.00 0.00 C ATOM 1761 C TRP A 114 -7.588 7.806 -13.522 1.00 0.00 C ATOM 1762 O TRP A 114 -7.093 7.795 -14.669 1.00 0.00 O ATOM 1763 CB TRP A 114 -6.587 9.862 -12.437 1.00 0.00 C ATOM 1764 CG TRP A 114 -5.945 10.477 -11.233 1.00 0.00 C ATOM 1765 CD1 TRP A 114 -4.632 10.774 -11.107 1.00 0.00 C ATOM 1766 CD2 TRP A 114 -6.550 10.823 -9.947 1.00 0.00 C ATOM 1767 NE1 TRP A 114 -4.388 11.298 -9.856 1.00 0.00 N ATOM 1768 CE2 TRP A 114 -5.538 11.350 -9.096 1.00 0.00 C ATOM 1769 CE3 TRP A 114 -7.849 10.743 -9.413 1.00 0.00 C ATOM 1770 CZ2 TRP A 114 -5.800 11.783 -7.789 1.00 0.00 C ATOM 1771 CZ3 TRP A 114 -8.122 11.169 -8.102 1.00 0.00 C ATOM 1772 CH2 TRP A 114 -7.106 11.690 -7.290 1.00 0.00 C ATOM 0 H TRP A 114 -4.658 8.369 -12.669 1.00 0.00 H new ATOM 0 HA TRP A 114 -7.233 8.063 -11.455 1.00 0.00 H new ATOM 0 HB2 TRP A 114 -6.005 10.128 -13.319 1.00 0.00 H new ATOM 0 HB3 TRP A 114 -7.578 10.297 -12.566 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -3.886 10.623 -11.873 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -3.472 11.608 -9.533 1.00 0.00 H new ATOM 0 HE3 TRP A 114 -8.650 10.348 -10.021 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -5.006 12.183 -7.175 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 -9.128 11.094 -7.715 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -7.328 12.018 -6.285 1.00 0.00 H new TER 1783 TRP A 114 ATOM 1784 O5' U B 115 2.738 -13.804 -23.014 1.00 0.00 O ATOM 1785 C5' U B 115 1.696 -12.915 -22.671 1.00 0.00 C ATOM 1786 C4' U B 115 1.771 -11.661 -23.545 1.00 0.00 C ATOM 1787 O4' U B 115 1.497 -11.975 -24.897 1.00 0.00 O ATOM 1788 C3' U B 115 0.701 -10.656 -23.100 1.00 0.00 C ATOM 1789 O3' U B 115 1.228 -9.382 -22.798 1.00 0.00 O ATOM 1790 C2' U B 115 -0.210 -10.542 -24.324 1.00 0.00 C ATOM 1791 O2' U B 115 0.159 -9.430 -25.112 1.00 0.00 O ATOM 1792 C1' U B 115 0.111 -11.805 -25.123 1.00 0.00 C ATOM 1793 N1 U B 115 -0.648 -13.028 -24.743 1.00 0.00 N ATOM 1794 C2 U B 115 -0.182 -14.244 -25.238 1.00 0.00 C ATOM 1795 O2 U B 115 0.811 -14.330 -25.958 1.00 0.00 O ATOM 1796 N3 U B 115 -0.889 -15.380 -24.882 1.00 0.00 N ATOM 1797 C4 U B 115 -2.028 -15.409 -24.102 1.00 0.00 C ATOM 1798 O4 U B 115 -2.588 -16.474 -23.847 1.00 0.00 O ATOM 1799 C5 U B 115 -2.458 -14.107 -23.647 1.00 0.00 C ATOM 1800 C6 U B 115 -1.774 -12.984 -23.964 1.00 0.00 C ATOM 0 H5' U B 115 1.772 -12.640 -21.619 1.00 0.00 H new ATOM 0 H5'' U B 115 0.731 -13.404 -22.804 1.00 0.00 H new ATOM 0 H4' U B 115 2.775 -11.249 -23.444 1.00 0.00 H new ATOM 0 H3' U B 115 0.206 -10.991 -22.188 1.00 0.00 H new ATOM 0 H2' U B 115 -1.259 -10.431 -24.048 1.00 0.00 H new ATOM 0 HO2' U B 115 0.253 -9.708 -26.047 1.00 0.00 H new ATOM 0 HO5' U B 115 2.685 -14.604 -22.450 1.00 0.00 H new ATOM 0 H1' U B 115 -0.178 -11.677 -26.166 1.00 0.00 H new ATOM 0 H3 U B 115 -0.538 -16.274 -25.226 1.00 0.00 H new ATOM 0 H5 U B 115 -3.347 -14.028 -23.039 1.00 0.00 H new ATOM 0 H6 U B 115 -2.123 -12.031 -23.595 1.00 0.00 H new ATOM 1811 P U B 116 1.996 -9.121 -21.409 1.00 0.00 P ATOM 1812 OP1 U B 116 3.181 -10.007 -21.342 1.00 0.00 O ATOM 1813 OP2 U B 116 0.995 -9.154 -20.316 1.00 0.00 O ATOM 1814 O5' U B 116 2.501 -7.604 -21.574 1.00 0.00 O ATOM 1815 C5' U B 116 3.541 -7.281 -22.472 1.00 0.00 C ATOM 1816 C4' U B 116 3.873 -5.784 -22.447 1.00 0.00 C ATOM 1817 O4' U B 116 2.946 -5.045 -23.223 1.00 0.00 O ATOM 1818 C3' U B 116 3.845 -5.177 -21.048 1.00 0.00 C ATOM 1819 O3' U B 116 4.741 -4.088 -21.057 1.00 0.00 O ATOM 1820 C2' U B 116 2.386 -4.738 -20.934 1.00 0.00 C ATOM 1821 O2' U B 116 2.201 -3.640 -20.065 1.00 0.00 O ATOM 1822 C1' U B 116 2.032 -4.368 -22.372 1.00 0.00 C ATOM 1823 N1 U B 116 0.640 -4.776 -22.666 1.00 0.00 N ATOM 1824 C2 U B 116 -0.386 -3.892 -22.364 1.00 0.00 C ATOM 1825 O2 U B 116 -0.188 -2.792 -21.851 1.00 0.00 O ATOM 1826 N3 U B 116 -1.668 -4.315 -22.672 1.00 0.00 N ATOM 1827 C4 U B 116 -2.007 -5.535 -23.234 1.00 0.00 C ATOM 1828 O4 U B 116 -3.184 -5.812 -23.467 1.00 0.00 O ATOM 1829 C5 U B 116 -0.878 -6.396 -23.499 1.00 0.00 C ATOM 1830 C6 U B 116 0.381 -6.001 -23.213 1.00 0.00 C ATOM 0 H5' U B 116 3.252 -7.572 -23.482 1.00 0.00 H new ATOM 0 H5'' U B 116 4.432 -7.855 -22.217 1.00 0.00 H new ATOM 0 H4' U B 116 4.884 -5.720 -22.849 1.00 0.00 H new ATOM 0 H3' U B 116 4.139 -5.822 -20.220 1.00 0.00 H new ATOM 0 H2' U B 116 1.756 -5.518 -20.507 1.00 0.00 H new ATOM 0 HO2' U B 116 2.866 -3.676 -19.346 1.00 0.00 H new ATOM 0 H1' U B 116 2.103 -3.292 -22.528 1.00 0.00 H new ATOM 0 H3 U B 116 -2.431 -3.670 -22.467 1.00 0.00 H new ATOM 0 H5 U B 116 -1.044 -7.371 -23.933 1.00 0.00 H new ATOM 0 H6 U B 116 1.203 -6.669 -23.422 1.00 0.00 H new ATOM 1841 P U B 117 5.377 -3.496 -19.701 1.00 0.00 P ATOM 1842 OP1 U B 117 6.695 -4.136 -19.486 1.00 0.00 O ATOM 1843 OP2 U B 117 4.361 -3.544 -18.623 1.00 0.00 O ATOM 1844 O5' U B 117 5.611 -1.959 -20.123 1.00 0.00 O ATOM 1845 C5' U B 117 4.568 -1.014 -20.025 1.00 0.00 C ATOM 1846 C4' U B 117 4.967 0.272 -20.750 1.00 0.00 C ATOM 1847 O4' U B 117 4.444 0.265 -22.072 1.00 0.00 O ATOM 1848 C3' U B 117 4.349 1.477 -20.039 1.00 0.00 C ATOM 1849 O3' U B 117 5.147 2.631 -20.231 1.00 0.00 O ATOM 1850 C2' U B 117 3.047 1.635 -20.809 1.00 0.00 C ATOM 1851 O2' U B 117 2.493 2.929 -20.661 1.00 0.00 O ATOM 1852 C1' U B 117 3.545 1.356 -22.215 1.00 0.00 C ATOM 1853 N1 U B 117 2.436 1.041 -23.144 1.00 0.00 N ATOM 1854 C2 U B 117 2.122 1.969 -24.129 1.00 0.00 C ATOM 1855 O2 U B 117 2.710 3.041 -24.250 1.00 0.00 O ATOM 1856 N3 U B 117 1.093 1.627 -24.989 1.00 0.00 N ATOM 1857 C4 U B 117 0.350 0.463 -24.939 1.00 0.00 C ATOM 1858 O4 U B 117 -0.547 0.261 -25.755 1.00 0.00 O ATOM 1859 C5 U B 117 0.735 -0.435 -23.873 1.00 0.00 C ATOM 1860 C6 U B 117 1.740 -0.130 -23.022 1.00 0.00 C ATOM 0 H5' U B 117 4.355 -0.801 -18.978 1.00 0.00 H new ATOM 0 H5'' U B 117 3.655 -1.420 -20.460 1.00 0.00 H new ATOM 0 H4' U B 117 6.055 0.333 -20.760 1.00 0.00 H new ATOM 0 H3' U B 117 4.241 1.350 -18.962 1.00 0.00 H new ATOM 0 H2' U B 117 2.231 0.990 -20.484 1.00 0.00 H new ATOM 0 HO2' U B 117 3.208 3.571 -20.471 1.00 0.00 H new ATOM 0 H1' U B 117 4.031 2.228 -22.652 1.00 0.00 H new ATOM 0 H3 U B 117 0.862 2.294 -25.726 1.00 0.00 H new ATOM 0 H5 U B 117 0.208 -1.370 -23.754 1.00 0.00 H new ATOM 0 H6 U B 117 1.997 -0.822 -22.234 1.00 0.00 H new ATOM 1871 P A B 118 6.011 3.278 -19.034 1.00 0.00 P ATOM 1872 OP1 A B 118 5.445 2.825 -17.742 1.00 0.00 O ATOM 1873 OP2 A B 118 6.117 4.730 -19.307 1.00 0.00 O ATOM 1874 O5' A B 118 7.489 2.654 -19.186 1.00 0.00 O ATOM 1875 C5' A B 118 7.828 1.400 -18.638 1.00 0.00 C ATOM 1876 C4' A B 118 9.344 1.185 -18.688 1.00 0.00 C ATOM 1877 O4' A B 118 9.775 0.910 -20.013 1.00 0.00 O ATOM 1878 C3' A B 118 10.076 2.435 -18.186 1.00 0.00 C ATOM 1879 O3' A B 118 11.222 2.136 -17.416 1.00 0.00 O ATOM 1880 C2' A B 118 10.469 3.132 -19.484 1.00 0.00 C ATOM 1881 O2' A B 118 11.742 3.733 -19.414 1.00 0.00 O ATOM 1882 C1' A B 118 10.413 2.054 -20.560 1.00 0.00 C ATOM 1883 N9 A B 118 9.697 2.613 -21.718 1.00 0.00 N ATOM 1884 C8 A B 118 8.373 2.538 -22.069 1.00 0.00 C ATOM 1885 N7 A B 118 8.069 3.232 -23.132 1.00 0.00 N ATOM 1886 C5 A B 118 9.285 3.794 -23.520 1.00 0.00 C ATOM 1887 C6 A B 118 9.663 4.654 -24.564 1.00 0.00 C ATOM 1888 N6 A B 118 8.802 5.139 -25.464 1.00 0.00 N ATOM 1889 N1 A B 118 10.952 5.002 -24.661 1.00 0.00 N ATOM 1890 C2 A B 118 11.821 4.510 -23.790 1.00 0.00 C ATOM 1891 N3 A B 118 11.601 3.705 -22.762 1.00 0.00 N ATOM 1892 C4 A B 118 10.287 3.383 -22.684 1.00 0.00 C ATOM 0 H5' A B 118 7.324 0.607 -19.190 1.00 0.00 H new ATOM 0 H5'' A B 118 7.480 1.341 -17.607 1.00 0.00 H new ATOM 0 H4' A B 118 9.577 0.334 -18.048 1.00 0.00 H new ATOM 0 H3' A B 118 9.454 3.034 -17.520 1.00 0.00 H new ATOM 0 H2' A B 118 9.789 3.956 -19.702 1.00 0.00 H new ATOM 0 HO2' A B 118 12.432 3.059 -19.586 1.00 0.00 H new ATOM 0 H1' A B 118 11.403 1.744 -20.895 1.00 0.00 H new ATOM 0 H8 A B 118 7.649 1.958 -21.517 1.00 0.00 H new ATOM 0 H61 A B 118 9.132 5.761 -26.202 1.00 0.00 H new ATOM 0 H62 A B 118 7.815 4.887 -25.413 1.00 0.00 H new ATOM 0 H2 A B 118 12.849 4.806 -23.939 1.00 0.00 H new ATOM 1904 P A B 119 11.091 1.567 -15.917 1.00 0.00 P ATOM 1905 OP1 A B 119 9.730 1.871 -15.411 1.00 0.00 O ATOM 1906 OP2 A B 119 12.275 2.009 -15.148 1.00 0.00 O ATOM 1907 O5' A B 119 11.199 -0.023 -16.134 1.00 0.00 O ATOM 1908 C5' A B 119 12.419 -0.605 -16.533 1.00 0.00 C ATOM 1909 C4' A B 119 12.265 -1.215 -17.924 1.00 0.00 C ATOM 1910 O4' A B 119 12.158 -0.203 -18.908 1.00 0.00 O ATOM 1911 C3' A B 119 13.505 -2.034 -18.247 1.00 0.00 C ATOM 1912 O3' A B 119 13.131 -3.120 -19.072 1.00 0.00 O ATOM 1913 C2' A B 119 14.386 -1.044 -18.990 1.00 0.00 C ATOM 1914 O2' A B 119 15.200 -1.681 -19.954 1.00 0.00 O ATOM 1915 C1' A B 119 13.371 -0.099 -19.629 1.00 0.00 C ATOM 1916 N9 A B 119 13.898 1.276 -19.638 1.00 0.00 N ATOM 1917 C8 A B 119 14.094 2.137 -18.593 1.00 0.00 C ATOM 1918 N7 A B 119 14.609 3.286 -18.943 1.00 0.00 N ATOM 1919 C5 A B 119 14.738 3.179 -20.330 1.00 0.00 C ATOM 1920 C6 A B 119 15.187 4.051 -21.339 1.00 0.00 C ATOM 1921 N6 A B 119 15.621 5.293 -21.102 1.00 0.00 N ATOM 1922 N1 A B 119 15.182 3.617 -22.607 1.00 0.00 N ATOM 1923 C2 A B 119 14.754 2.387 -22.863 1.00 0.00 C ATOM 1924 N3 A B 119 14.302 1.474 -22.020 1.00 0.00 N ATOM 1925 C4 A B 119 14.311 1.950 -20.753 1.00 0.00 C ATOM 0 H5' A B 119 12.718 -1.373 -15.819 1.00 0.00 H new ATOM 0 H5'' A B 119 13.207 0.148 -16.540 1.00 0.00 H new ATOM 0 H4' A B 119 11.366 -1.831 -17.928 1.00 0.00 H new ATOM 0 H3' A B 119 14.009 -2.460 -17.380 1.00 0.00 H new ATOM 0 H2' A B 119 15.096 -0.531 -18.341 1.00 0.00 H new ATOM 0 HO2' A B 119 14.982 -2.636 -19.986 1.00 0.00 H new ATOM 0 HO3' A B 119 13.747 -3.868 -18.927 1.00 0.00 H new ATOM 0 H1' A B 119 13.185 -0.371 -20.668 1.00 0.00 H new ATOM 0 H8 A B 119 13.846 1.890 -17.571 1.00 0.00 H new ATOM 0 H61 A B 119 15.935 5.880 -21.875 1.00 0.00 H new ATOM 0 H62 A B 119 15.638 5.654 -20.148 1.00 0.00 H new ATOM 0 H2 A B 119 14.778 2.092 -23.902 1.00 0.00 H new TER 1937 A B 119