USER MOD reduce.3.24.130724 H: found=0, std=0, add=1009, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1016 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 119 MET CE :methyl -165:sc= 0 (180deg=-0.081) USER MOD Set 1.2: A 126 CYS SG : rot 167:sc= 0.738 USER MOD Set 1.3: A 128 GLN : amide:sc= 0 X(o=0.74,f=0.26) USER MOD Set 2.1: A 95 CYS SG : rot 177:sc= -0.179 USER MOD Set 2.2: A 97 GLN : amide:sc= 1.01 K(o=0.83,f=-5.5!) USER MOD Set 3.1: A 94 GLN : amide:sc= 0.973 K(o=2.1,f=0.041) USER MOD Set 3.2: A 107 THR OG1 : rot -91:sc= 1.18 USER MOD Set 4.1: A 65 GLN : amide:sc= 0.493 K(o=1,f=-2.6!) USER MOD Set 4.2: A 68 LYS NZ :NH3+ -178:sc= 0.527 (180deg=0) USER MOD Set 5.1: A 40 LYS NZ :NH3+ -177:sc= 0.198 (180deg=0) USER MOD Set 5.2: A 53 THR OG1 : rot 179:sc= 0.19 USER MOD Set 6.1: A 13 ASN : amide:sc= 1.04 K(o=1.7,f=-1.6) USER MOD Set 6.2: A 34 ASN : amide:sc= 0.676 K(o=1.7,f=0.29) USER MOD Single : A 5 ASN : amide:sc= 1.52 K(o=1.5,f=-2.9!) USER MOD Single : A 7 TYR OH : rot -1:sc= 0.517 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl -173:sc= -0.213 (180deg=-0.261) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0.614 K(o=0.61,f=-0.28) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.017 K(o=-0.017,f=-0.93) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 169:sc= 0.796 (180deg=0.574) USER MOD Single : A 44 GLN : amide:sc= 0.797 K(o=0.8,f=-2.6!) USER MOD Single : A 48 HIS : no HD1:sc= 0.874 K(o=0.87,f=-2.7!) USER MOD Single : A 49 MET CE :methyl 143:sc= -0.086 (180deg=-2.63) USER MOD Single : A 55 SER OG : rot -71:sc= 1.58 USER MOD Single : A 56 THR OG1 : rot -24:sc= 0.943 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -132:sc= -0.151 (180deg=-0.62) USER MOD Single : A 82 CYS SG : rot 47:sc=-0.00145 USER MOD Single : A 83 MET CE :methyl -149:sc=-0.00133 (180deg=-0.273) USER MOD Single : A 84 THR OG1 : rot 66:sc= 1.27 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 11:sc= 0.764 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 173:sc= 0.529 (180deg=0.474) USER MOD Single : A 101 LYS NZ :NH3+ 179:sc= 1.1 (180deg=1.1) USER MOD Single : A 108 GLN : amide:sc= 0.00334 K(o=0.0033,f=-0.9) USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 125 THR OG1 : rot 180:sc= -0.0234 USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 LYS NZ :NH3+ 169:sc= 0.128 (180deg=0.0996) USER MOD Single : A 134 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 19 N PRO A 1 3.389 -2.245 -0.113 1.00 0.00 N ATOM 20 CA PRO A 1 4.647 -1.438 -0.150 1.00 0.00 C ATOM 21 C PRO A 1 5.380 -1.417 -1.544 1.00 0.00 C ATOM 22 O PRO A 1 5.009 -0.630 -2.417 1.00 0.00 O ATOM 23 CB PRO A 1 5.411 -2.033 1.058 1.00 0.00 C ATOM 24 CG PRO A 1 4.945 -3.485 1.162 1.00 0.00 C ATOM 25 CD PRO A 1 3.466 -3.398 0.809 1.00 0.00 C ATOM 0 H2 PRO A 1 3.180 -2.582 -1.053 1.00 0.00 H new ATOM 0 H3 PRO A 1 2.614 -1.644 0.167 1.00 0.00 H new ATOM 0 HA PRO A 1 4.508 -0.361 -0.055 1.00 0.00 H new ATOM 0 HB2 PRO A 1 6.489 -1.977 0.907 1.00 0.00 H new ATOM 0 HB3 PRO A 1 5.188 -1.483 1.972 1.00 0.00 H new ATOM 0 HG2 PRO A 1 5.487 -4.133 0.473 1.00 0.00 H new ATOM 0 HG3 PRO A 1 5.098 -3.887 2.164 1.00 0.00 H new ATOM 0 HD2 PRO A 1 3.114 -4.314 0.334 1.00 0.00 H new ATOM 0 HD3 PRO A 1 2.852 -3.242 1.696 1.00 0.00 H new ATOM 33 N VAL A 2 6.428 -2.236 -1.749 1.00 0.00 N ATOM 34 CA VAL A 2 7.224 -2.298 -3.018 1.00 0.00 C ATOM 35 C VAL A 2 7.829 -3.749 -3.136 1.00 0.00 C ATOM 36 O VAL A 2 7.918 -4.494 -2.152 1.00 0.00 O ATOM 37 CB VAL A 2 8.368 -1.206 -3.160 1.00 0.00 C ATOM 38 CG1 VAL A 2 8.581 -0.754 -4.624 1.00 0.00 C ATOM 39 CG2 VAL A 2 8.240 0.088 -2.329 1.00 0.00 C ATOM 0 H VAL A 2 6.761 -2.887 -1.038 1.00 0.00 H new ATOM 0 HA VAL A 2 6.538 -2.069 -3.834 1.00 0.00 H new ATOM 0 HB VAL A 2 9.211 -1.767 -2.757 1.00 0.00 H new ATOM 0 HG11 VAL A 2 9.374 -0.007 -4.663 1.00 0.00 H new ATOM 0 HG12 VAL A 2 8.862 -1.613 -5.233 1.00 0.00 H new ATOM 0 HG13 VAL A 2 7.657 -0.322 -5.010 1.00 0.00 H new ATOM 0 HG21 VAL A 2 9.093 0.736 -2.531 1.00 0.00 H new ATOM 0 HG22 VAL A 2 7.320 0.605 -2.600 1.00 0.00 H new ATOM 0 HG23 VAL A 2 8.217 -0.162 -1.268 1.00 0.00 H new ATOM 49 N ASP A 3 8.315 -4.149 -4.327 1.00 0.00 N ATOM 50 CA ASP A 3 9.149 -5.375 -4.477 1.00 0.00 C ATOM 51 C ASP A 3 10.668 -5.061 -4.255 1.00 0.00 C ATOM 52 O ASP A 3 11.334 -4.530 -5.148 1.00 0.00 O ATOM 53 CB ASP A 3 8.851 -6.003 -5.867 1.00 0.00 C ATOM 54 CG ASP A 3 9.472 -7.388 -6.090 1.00 0.00 C ATOM 55 OD1 ASP A 3 9.730 -8.175 -5.181 1.00 0.00 O ATOM 56 OD2 ASP A 3 9.704 -7.642 -7.411 1.00 0.00 O ATOM 0 H ASP A 3 8.150 -3.649 -5.200 1.00 0.00 H new ATOM 0 HA ASP A 3 8.892 -6.104 -3.709 1.00 0.00 H new ATOM 0 HB2 ASP A 3 7.771 -6.079 -5.992 1.00 0.00 H new ATOM 0 HB3 ASP A 3 9.215 -5.328 -6.641 1.00 0.00 H new ATOM 62 N PHE A 4 11.221 -5.445 -3.090 1.00 0.00 N ATOM 63 CA PHE A 4 12.696 -5.362 -2.830 1.00 0.00 C ATOM 64 C PHE A 4 13.540 -6.627 -3.251 1.00 0.00 C ATOM 65 O PHE A 4 14.756 -6.623 -3.036 1.00 0.00 O ATOM 66 CB PHE A 4 12.932 -4.975 -1.332 1.00 0.00 C ATOM 67 CG PHE A 4 12.691 -3.516 -0.863 1.00 0.00 C ATOM 68 CD1 PHE A 4 11.479 -2.851 -1.088 1.00 0.00 C ATOM 69 CD2 PHE A 4 13.682 -2.869 -0.110 1.00 0.00 C ATOM 70 CE1 PHE A 4 11.271 -1.567 -0.590 1.00 0.00 C ATOM 71 CE2 PHE A 4 13.461 -1.592 0.403 1.00 0.00 C ATOM 72 CZ PHE A 4 12.255 -0.947 0.167 1.00 0.00 C ATOM 0 H PHE A 4 10.683 -5.817 -2.307 1.00 0.00 H new ATOM 0 HA PHE A 4 13.076 -4.583 -3.491 1.00 0.00 H new ATOM 0 HB2 PHE A 4 12.296 -5.620 -0.726 1.00 0.00 H new ATOM 0 HB3 PHE A 4 13.964 -5.227 -1.090 1.00 0.00 H new ATOM 0 HD1 PHE A 4 10.698 -3.339 -1.653 1.00 0.00 H new ATOM 0 HD2 PHE A 4 14.624 -3.364 0.074 1.00 0.00 H new ATOM 0 HE1 PHE A 4 10.343 -1.053 -0.793 1.00 0.00 H new ATOM 0 HE2 PHE A 4 14.229 -1.104 0.985 1.00 0.00 H new ATOM 0 HZ PHE A 4 12.082 0.039 0.573 1.00 0.00 H new ATOM 82 N ASN A 5 12.956 -7.677 -3.874 1.00 0.00 N ATOM 83 CA ASN A 5 13.684 -8.914 -4.281 1.00 0.00 C ATOM 84 C ASN A 5 14.765 -8.665 -5.384 1.00 0.00 C ATOM 85 O ASN A 5 14.435 -8.300 -6.519 1.00 0.00 O ATOM 86 CB ASN A 5 12.664 -9.987 -4.758 1.00 0.00 C ATOM 87 CG ASN A 5 11.860 -10.669 -3.648 1.00 0.00 C ATOM 88 OD1 ASN A 5 12.386 -11.459 -2.874 1.00 0.00 O ATOM 89 ND2 ASN A 5 10.587 -10.394 -3.513 1.00 0.00 N ATOM 0 H ASN A 5 11.964 -7.696 -4.112 1.00 0.00 H new ATOM 0 HA ASN A 5 14.222 -9.269 -3.402 1.00 0.00 H new ATOM 0 HB2 ASN A 5 11.967 -9.518 -5.452 1.00 0.00 H new ATOM 0 HB3 ASN A 5 13.203 -10.753 -5.316 1.00 0.00 H new ATOM 0 HD21 ASN A 5 10.046 -10.836 -2.770 1.00 0.00 H new ATOM 0 HD22 ASN A 5 10.137 -9.738 -4.151 1.00 0.00 H new ATOM 96 N GLY A 6 16.051 -8.866 -5.048 1.00 0.00 N ATOM 97 CA GLY A 6 17.152 -8.581 -5.999 1.00 0.00 C ATOM 98 C GLY A 6 18.574 -8.585 -5.410 1.00 0.00 C ATOM 99 O GLY A 6 18.792 -8.568 -4.195 1.00 0.00 O ATOM 0 H GLY A 6 16.356 -9.219 -4.141 1.00 0.00 H new ATOM 0 HA2 GLY A 6 17.111 -9.317 -6.802 1.00 0.00 H new ATOM 0 HA3 GLY A 6 16.971 -7.606 -6.451 1.00 0.00 H new ATOM 103 N TYR A 7 19.547 -8.555 -6.329 1.00 0.00 N ATOM 104 CA TYR A 7 20.979 -8.332 -5.999 1.00 0.00 C ATOM 105 C TYR A 7 21.369 -6.861 -6.362 1.00 0.00 C ATOM 106 O TYR A 7 21.142 -6.393 -7.485 1.00 0.00 O ATOM 107 CB TYR A 7 21.830 -9.392 -6.754 1.00 0.00 C ATOM 108 CG TYR A 7 23.253 -9.608 -6.202 1.00 0.00 C ATOM 109 CD1 TYR A 7 24.265 -8.676 -6.446 1.00 0.00 C ATOM 110 CD2 TYR A 7 23.561 -10.768 -5.479 1.00 0.00 C ATOM 111 CE1 TYR A 7 25.561 -8.900 -5.998 1.00 0.00 C ATOM 112 CE2 TYR A 7 24.857 -10.986 -5.014 1.00 0.00 C ATOM 113 CZ TYR A 7 25.857 -10.056 -5.281 1.00 0.00 C ATOM 114 OH TYR A 7 27.135 -10.270 -4.840 1.00 0.00 O ATOM 0 H TYR A 7 19.374 -8.684 -7.326 1.00 0.00 H new ATOM 0 HA TYR A 7 21.168 -8.455 -4.933 1.00 0.00 H new ATOM 0 HB2 TYR A 7 21.300 -10.344 -6.729 1.00 0.00 H new ATOM 0 HB3 TYR A 7 21.905 -9.096 -7.800 1.00 0.00 H new ATOM 0 HD1 TYR A 7 24.037 -7.771 -6.989 1.00 0.00 H new ATOM 0 HD2 TYR A 7 22.790 -11.498 -5.281 1.00 0.00 H new ATOM 0 HE1 TYR A 7 26.337 -8.179 -6.206 1.00 0.00 H new ATOM 0 HE2 TYR A 7 25.085 -11.876 -4.447 1.00 0.00 H new ATOM 0 HH TYR A 7 27.708 -9.528 -5.126 1.00 0.00 H new ATOM 124 N TRP A 8 21.964 -6.151 -5.395 1.00 0.00 N ATOM 125 CA TRP A 8 22.221 -4.688 -5.485 1.00 0.00 C ATOM 126 C TRP A 8 23.745 -4.412 -5.241 1.00 0.00 C ATOM 127 O TRP A 8 24.300 -4.852 -4.226 1.00 0.00 O ATOM 128 CB TRP A 8 21.340 -3.952 -4.425 1.00 0.00 C ATOM 129 CG TRP A 8 19.813 -4.181 -4.437 1.00 0.00 C ATOM 130 CD1 TRP A 8 19.134 -5.252 -3.807 1.00 0.00 C ATOM 131 CD2 TRP A 8 18.814 -3.407 -5.002 1.00 0.00 C ATOM 132 NE1 TRP A 8 17.742 -5.185 -3.995 1.00 0.00 N ATOM 133 CE2 TRP A 8 17.566 -4.028 -4.728 1.00 0.00 C ATOM 134 CE3 TRP A 8 18.862 -2.182 -5.712 1.00 0.00 C ATOM 135 CZ2 TRP A 8 16.364 -3.433 -5.169 1.00 0.00 C ATOM 136 CZ3 TRP A 8 17.660 -1.611 -6.133 1.00 0.00 C ATOM 137 CH2 TRP A 8 16.431 -2.228 -5.871 1.00 0.00 C ATOM 0 H TRP A 8 22.286 -6.566 -4.521 1.00 0.00 H new ATOM 0 HA TRP A 8 21.960 -4.316 -6.476 1.00 0.00 H new ATOM 0 HB2 TRP A 8 21.708 -4.233 -3.438 1.00 0.00 H new ATOM 0 HB3 TRP A 8 21.514 -2.882 -4.537 1.00 0.00 H new ATOM 0 HD1 TRP A 8 19.629 -6.031 -3.246 1.00 0.00 H new ATOM 0 HE1 TRP A 8 17.030 -5.837 -3.667 1.00 0.00 H new ATOM 0 HE3 TRP A 8 19.806 -1.701 -5.922 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 15.412 -3.901 -4.967 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 17.678 -0.675 -6.671 1.00 0.00 H new ATOM 0 HH2 TRP A 8 15.519 -1.764 -6.218 1.00 0.00 H new ATOM 148 N LYS A 9 24.427 -3.661 -6.129 1.00 0.00 N ATOM 149 CA LYS A 9 25.827 -3.188 -5.886 1.00 0.00 C ATOM 150 C LYS A 9 25.883 -1.769 -5.230 1.00 0.00 C ATOM 151 O LYS A 9 25.049 -0.917 -5.550 1.00 0.00 O ATOM 152 CB LYS A 9 26.640 -3.225 -7.213 1.00 0.00 C ATOM 153 CG LYS A 9 26.275 -2.201 -8.328 1.00 0.00 C ATOM 154 CD LYS A 9 27.439 -1.853 -9.276 1.00 0.00 C ATOM 155 CE LYS A 9 27.854 -2.983 -10.231 1.00 0.00 C ATOM 156 NZ LYS A 9 29.032 -2.576 -11.019 1.00 0.00 N ATOM 0 H LYS A 9 24.041 -3.363 -7.025 1.00 0.00 H new ATOM 0 HA LYS A 9 26.281 -3.872 -5.169 1.00 0.00 H new ATOM 0 HB2 LYS A 9 27.692 -3.085 -6.963 1.00 0.00 H new ATOM 0 HB3 LYS A 9 26.543 -4.225 -7.635 1.00 0.00 H new ATOM 0 HG2 LYS A 9 25.450 -2.602 -8.917 1.00 0.00 H new ATOM 0 HG3 LYS A 9 25.917 -1.284 -7.860 1.00 0.00 H new ATOM 0 HD2 LYS A 9 27.159 -0.981 -9.867 1.00 0.00 H new ATOM 0 HD3 LYS A 9 28.304 -1.567 -8.677 1.00 0.00 H new ATOM 0 HE2 LYS A 9 28.082 -3.885 -9.662 1.00 0.00 H new ATOM 0 HE3 LYS A 9 27.027 -3.227 -10.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 29.304 -3.348 -11.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 28.802 -1.728 -11.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 29.823 -2.365 -10.377 1.00 0.00 H new ATOM 169 N MET A 10 26.885 -1.467 -4.379 1.00 0.00 N ATOM 170 CA MET A 10 27.090 -0.080 -3.862 1.00 0.00 C ATOM 171 C MET A 10 27.658 0.890 -4.954 1.00 0.00 C ATOM 172 O MET A 10 28.684 0.628 -5.591 1.00 0.00 O ATOM 173 CB MET A 10 27.983 -0.117 -2.593 1.00 0.00 C ATOM 174 CG MET A 10 28.226 1.269 -1.944 1.00 0.00 C ATOM 175 SD MET A 10 29.316 1.164 -0.520 1.00 0.00 S ATOM 176 CE MET A 10 28.101 0.869 0.767 1.00 0.00 C ATOM 0 H MET A 10 27.561 -2.148 -4.034 1.00 0.00 H new ATOM 0 HA MET A 10 26.116 0.325 -3.588 1.00 0.00 H new ATOM 0 HB2 MET A 10 27.520 -0.774 -1.856 1.00 0.00 H new ATOM 0 HB3 MET A 10 28.946 -0.557 -2.853 1.00 0.00 H new ATOM 0 HG2 MET A 10 28.658 1.944 -2.682 1.00 0.00 H new ATOM 0 HG3 MET A 10 27.272 1.699 -1.639 1.00 0.00 H new ATOM 0 HE1 MET A 10 28.588 0.901 1.742 1.00 0.00 H new ATOM 0 HE2 MET A 10 27.329 1.637 0.722 1.00 0.00 H new ATOM 0 HE3 MET A 10 27.646 -0.111 0.620 1.00 0.00 H new ATOM 186 N LEU A 11 27.009 2.055 -5.085 1.00 0.00 N ATOM 187 CA LEU A 11 27.582 3.236 -5.787 1.00 0.00 C ATOM 188 C LEU A 11 28.409 4.163 -4.831 1.00 0.00 C ATOM 189 O LEU A 11 29.559 4.479 -5.146 1.00 0.00 O ATOM 190 CB LEU A 11 26.441 4.021 -6.499 1.00 0.00 C ATOM 191 CG LEU A 11 25.602 3.299 -7.586 1.00 0.00 C ATOM 192 CD1 LEU A 11 24.569 4.283 -8.157 1.00 0.00 C ATOM 193 CD2 LEU A 11 26.449 2.721 -8.733 1.00 0.00 C ATOM 0 H LEU A 11 26.073 2.216 -4.712 1.00 0.00 H new ATOM 0 HA LEU A 11 28.288 2.874 -6.534 1.00 0.00 H new ATOM 0 HB2 LEU A 11 25.753 4.372 -5.730 1.00 0.00 H new ATOM 0 HB3 LEU A 11 26.885 4.905 -6.958 1.00 0.00 H new ATOM 0 HG LEU A 11 25.116 2.452 -7.103 1.00 0.00 H new ATOM 0 HD11 LEU A 11 23.975 3.783 -8.922 1.00 0.00 H new ATOM 0 HD12 LEU A 11 23.914 4.628 -7.357 1.00 0.00 H new ATOM 0 HD13 LEU A 11 25.084 5.136 -8.598 1.00 0.00 H new ATOM 0 HD21 LEU A 11 25.797 2.231 -9.456 1.00 0.00 H new ATOM 0 HD22 LEU A 11 26.994 3.527 -9.224 1.00 0.00 H new ATOM 0 HD23 LEU A 11 27.157 1.995 -8.333 1.00 0.00 H new ATOM 205 N SER A 12 27.836 4.615 -3.693 1.00 0.00 N ATOM 206 CA SER A 12 28.506 5.552 -2.748 1.00 0.00 C ATOM 207 C SER A 12 28.231 5.200 -1.249 1.00 0.00 C ATOM 208 O SER A 12 27.171 4.669 -0.891 1.00 0.00 O ATOM 209 CB SER A 12 28.072 7.004 -3.084 1.00 0.00 C ATOM 210 OG SER A 12 26.688 7.237 -2.807 1.00 0.00 O ATOM 0 H SER A 12 26.898 4.344 -3.399 1.00 0.00 H new ATOM 0 HA SER A 12 29.584 5.455 -2.876 1.00 0.00 H new ATOM 0 HB2 SER A 12 28.678 7.704 -2.508 1.00 0.00 H new ATOM 0 HB3 SER A 12 28.268 7.204 -4.137 1.00 0.00 H new ATOM 0 HG SER A 12 26.461 8.163 -3.032 1.00 0.00 H new ATOM 216 N ASN A 13 29.184 5.552 -0.361 1.00 0.00 N ATOM 217 CA ASN A 13 28.958 5.569 1.113 1.00 0.00 C ATOM 218 C ASN A 13 29.400 6.946 1.712 1.00 0.00 C ATOM 219 O ASN A 13 30.583 7.299 1.700 1.00 0.00 O ATOM 220 CB ASN A 13 29.568 4.310 1.793 1.00 0.00 C ATOM 221 CG ASN A 13 31.090 4.184 1.914 1.00 0.00 C ATOM 222 OD1 ASN A 13 31.682 4.612 2.898 1.00 0.00 O ATOM 223 ND2 ASN A 13 31.760 3.566 0.971 1.00 0.00 N ATOM 0 H ASN A 13 30.126 5.831 -0.635 1.00 0.00 H new ATOM 0 HA ASN A 13 27.893 5.493 1.330 1.00 0.00 H new ATOM 0 HB2 ASN A 13 29.154 4.249 2.799 1.00 0.00 H new ATOM 0 HB3 ASN A 13 29.210 3.437 1.247 1.00 0.00 H new ATOM 0 HD21 ASN A 13 32.769 3.444 1.059 1.00 0.00 H new ATOM 0 HD22 ASN A 13 31.272 3.208 0.150 1.00 0.00 H new ATOM 230 N GLU A 14 28.434 7.737 2.207 1.00 0.00 N ATOM 231 CA GLU A 14 28.660 9.132 2.670 1.00 0.00 C ATOM 232 C GLU A 14 28.498 9.192 4.221 1.00 0.00 C ATOM 233 O GLU A 14 27.453 8.814 4.761 1.00 0.00 O ATOM 234 CB GLU A 14 27.629 10.011 1.910 1.00 0.00 C ATOM 235 CG GLU A 14 27.766 11.540 2.112 1.00 0.00 C ATOM 236 CD GLU A 14 26.622 12.334 1.484 1.00 0.00 C ATOM 237 OE1 GLU A 14 25.679 12.784 2.128 1.00 0.00 O ATOM 238 OE2 GLU A 14 26.771 12.475 0.134 1.00 0.00 O ATOM 0 H GLU A 14 27.465 7.432 2.301 1.00 0.00 H new ATOM 0 HA GLU A 14 29.665 9.497 2.459 1.00 0.00 H new ATOM 0 HB2 GLU A 14 27.712 9.796 0.845 1.00 0.00 H new ATOM 0 HB3 GLU A 14 26.627 9.711 2.219 1.00 0.00 H new ATOM 0 HG2 GLU A 14 27.807 11.757 3.179 1.00 0.00 H new ATOM 0 HG3 GLU A 14 28.710 11.874 1.682 1.00 0.00 H new ATOM 246 N ASN A 15 29.539 9.658 4.941 1.00 0.00 N ATOM 247 CA ASN A 15 29.568 9.680 6.444 1.00 0.00 C ATOM 248 C ASN A 15 29.564 8.281 7.180 1.00 0.00 C ATOM 249 O ASN A 15 29.205 8.190 8.359 1.00 0.00 O ATOM 250 CB ASN A 15 28.520 10.722 6.955 1.00 0.00 C ATOM 251 CG ASN A 15 28.765 11.282 8.356 1.00 0.00 C ATOM 252 OD1 ASN A 15 29.829 11.807 8.662 1.00 0.00 O ATOM 253 ND2 ASN A 15 27.801 11.217 9.240 1.00 0.00 N ATOM 0 H ASN A 15 30.386 10.031 4.513 1.00 0.00 H new ATOM 0 HA ASN A 15 30.562 10.015 6.742 1.00 0.00 H new ATOM 0 HB2 ASN A 15 28.491 11.554 6.252 1.00 0.00 H new ATOM 0 HB3 ASN A 15 27.535 10.256 6.938 1.00 0.00 H new ATOM 0 HD21 ASN A 15 27.939 11.602 10.175 1.00 0.00 H new ATOM 0 HD22 ASN A 15 26.912 10.782 8.994 1.00 0.00 H new ATOM 260 N PHE A 16 30.045 7.201 6.524 1.00 0.00 N ATOM 261 CA PHE A 16 30.111 5.839 7.132 1.00 0.00 C ATOM 262 C PHE A 16 31.133 5.662 8.308 1.00 0.00 C ATOM 263 O PHE A 16 30.774 5.057 9.323 1.00 0.00 O ATOM 264 CB PHE A 16 30.257 4.796 5.983 1.00 0.00 C ATOM 265 CG PHE A 16 30.013 3.297 6.290 1.00 0.00 C ATOM 266 CD1 PHE A 16 29.128 2.862 7.286 1.00 0.00 C ATOM 267 CD2 PHE A 16 30.647 2.338 5.492 1.00 0.00 C ATOM 268 CE1 PHE A 16 28.928 1.503 7.516 1.00 0.00 C ATOM 269 CE2 PHE A 16 30.431 0.979 5.707 1.00 0.00 C ATOM 270 CZ PHE A 16 29.580 0.563 6.726 1.00 0.00 C ATOM 0 H PHE A 16 30.397 7.240 5.567 1.00 0.00 H new ATOM 0 HA PHE A 16 29.173 5.665 7.660 1.00 0.00 H new ATOM 0 HB2 PHE A 16 29.569 5.085 5.188 1.00 0.00 H new ATOM 0 HB3 PHE A 16 31.266 4.889 5.581 1.00 0.00 H new ATOM 0 HD1 PHE A 16 28.595 3.589 7.882 1.00 0.00 H new ATOM 0 HD2 PHE A 16 31.311 2.655 4.701 1.00 0.00 H new ATOM 0 HE1 PHE A 16 28.267 1.180 8.307 1.00 0.00 H new ATOM 0 HE2 PHE A 16 30.924 0.248 5.083 1.00 0.00 H new ATOM 0 HZ PHE A 16 29.426 -0.491 6.903 1.00 0.00 H new ATOM 280 N GLU A 17 32.355 6.230 8.223 1.00 0.00 N ATOM 281 CA GLU A 17 33.304 6.288 9.379 1.00 0.00 C ATOM 282 C GLU A 17 32.786 7.019 10.663 1.00 0.00 C ATOM 283 O GLU A 17 33.055 6.528 11.761 1.00 0.00 O ATOM 284 CB GLU A 17 34.678 6.887 8.966 1.00 0.00 C ATOM 285 CG GLU A 17 35.445 6.113 7.872 1.00 0.00 C ATOM 286 CD GLU A 17 36.930 6.442 7.789 1.00 0.00 C ATOM 287 OE1 GLU A 17 37.412 7.257 7.011 1.00 0.00 O ATOM 288 OE2 GLU A 17 37.666 5.718 8.677 1.00 0.00 O ATOM 0 H GLU A 17 32.717 6.657 7.370 1.00 0.00 H new ATOM 0 HA GLU A 17 33.409 5.240 9.660 1.00 0.00 H new ATOM 0 HB2 GLU A 17 34.519 7.908 8.619 1.00 0.00 H new ATOM 0 HB3 GLU A 17 35.309 6.947 9.853 1.00 0.00 H new ATOM 0 HG2 GLU A 17 35.332 5.044 8.054 1.00 0.00 H new ATOM 0 HG3 GLU A 17 34.985 6.322 6.906 1.00 0.00 H new ATOM 296 N GLU A 18 32.069 8.156 10.553 1.00 0.00 N ATOM 297 CA GLU A 18 31.449 8.840 11.728 1.00 0.00 C ATOM 298 C GLU A 18 30.242 8.076 12.381 1.00 0.00 C ATOM 299 O GLU A 18 30.170 8.002 13.609 1.00 0.00 O ATOM 300 CB GLU A 18 31.097 10.287 11.299 1.00 0.00 C ATOM 301 CG GLU A 18 30.937 11.283 12.473 1.00 0.00 C ATOM 302 CD GLU A 18 30.573 12.699 12.033 1.00 0.00 C ATOM 303 OE1 GLU A 18 31.372 13.630 11.999 1.00 0.00 O ATOM 304 OE2 GLU A 18 29.261 12.820 11.687 1.00 0.00 O ATOM 0 H GLU A 18 31.900 8.628 9.665 1.00 0.00 H new ATOM 0 HA GLU A 18 32.177 8.853 12.539 1.00 0.00 H new ATOM 0 HB2 GLU A 18 31.876 10.654 10.631 1.00 0.00 H new ATOM 0 HB3 GLU A 18 30.170 10.267 10.727 1.00 0.00 H new ATOM 0 HG2 GLU A 18 30.166 10.913 13.149 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.868 11.316 13.039 1.00 0.00 H new ATOM 312 N TYR A 19 29.334 7.467 11.587 1.00 0.00 N ATOM 313 CA TYR A 19 28.390 6.408 12.070 1.00 0.00 C ATOM 314 C TYR A 19 29.069 5.225 12.843 1.00 0.00 C ATOM 315 O TYR A 19 28.656 4.916 13.960 1.00 0.00 O ATOM 316 CB TYR A 19 27.560 5.952 10.835 1.00 0.00 C ATOM 317 CG TYR A 19 26.701 4.678 10.978 1.00 0.00 C ATOM 318 CD1 TYR A 19 25.465 4.704 11.630 1.00 0.00 C ATOM 319 CD2 TYR A 19 27.190 3.460 10.492 1.00 0.00 C ATOM 320 CE1 TYR A 19 24.732 3.528 11.783 1.00 0.00 C ATOM 321 CE2 TYR A 19 26.446 2.292 10.626 1.00 0.00 C ATOM 322 CZ TYR A 19 25.211 2.331 11.267 1.00 0.00 C ATOM 323 OH TYR A 19 24.468 1.190 11.401 1.00 0.00 O ATOM 0 H TYR A 19 29.227 7.687 10.597 1.00 0.00 H new ATOM 0 HA TYR A 19 27.738 6.827 12.836 1.00 0.00 H new ATOM 0 HB2 TYR A 19 26.899 6.772 10.554 1.00 0.00 H new ATOM 0 HB3 TYR A 19 28.250 5.800 10.005 1.00 0.00 H new ATOM 0 HD1 TYR A 19 25.078 5.636 12.015 1.00 0.00 H new ATOM 0 HD2 TYR A 19 28.155 3.426 10.008 1.00 0.00 H new ATOM 0 HE1 TYR A 19 23.787 3.548 12.305 1.00 0.00 H new ATOM 0 HE2 TYR A 19 26.825 1.359 10.235 1.00 0.00 H new ATOM 0 HH TYR A 19 24.942 0.440 10.985 1.00 0.00 H new ATOM 333 N LEU A 20 30.102 4.588 12.267 1.00 0.00 N ATOM 334 CA LEU A 20 30.914 3.561 12.975 1.00 0.00 C ATOM 335 C LEU A 20 31.667 4.075 14.257 1.00 0.00 C ATOM 336 O LEU A 20 31.628 3.393 15.284 1.00 0.00 O ATOM 337 CB LEU A 20 31.844 2.888 11.929 1.00 0.00 C ATOM 338 CG LEU A 20 31.183 2.019 10.822 1.00 0.00 C ATOM 339 CD1 LEU A 20 32.186 1.717 9.696 1.00 0.00 C ATOM 340 CD2 LEU A 20 30.623 0.688 11.356 1.00 0.00 C ATOM 0 H LEU A 20 30.403 4.761 11.308 1.00 0.00 H new ATOM 0 HA LEU A 20 30.238 2.819 13.400 1.00 0.00 H new ATOM 0 HB2 LEU A 20 32.420 3.673 11.439 1.00 0.00 H new ATOM 0 HB3 LEU A 20 32.554 2.261 12.467 1.00 0.00 H new ATOM 0 HG LEU A 20 30.348 2.606 10.440 1.00 0.00 H new ATOM 0 HD11 LEU A 20 31.703 1.108 8.932 1.00 0.00 H new ATOM 0 HD12 LEU A 20 32.527 2.652 9.252 1.00 0.00 H new ATOM 0 HD13 LEU A 20 33.040 1.176 10.105 1.00 0.00 H new ATOM 0 HD21 LEU A 20 30.175 0.127 10.536 1.00 0.00 H new ATOM 0 HD22 LEU A 20 31.431 0.104 11.797 1.00 0.00 H new ATOM 0 HD23 LEU A 20 29.866 0.890 12.114 1.00 0.00 H new ATOM 352 N ARG A 21 32.257 5.289 14.261 1.00 0.00 N ATOM 353 CA ARG A 21 32.689 5.987 15.514 1.00 0.00 C ATOM 354 C ARG A 21 31.573 6.158 16.609 1.00 0.00 C ATOM 355 O ARG A 21 31.783 5.775 17.762 1.00 0.00 O ATOM 356 CB ARG A 21 33.285 7.361 15.114 1.00 0.00 C ATOM 357 CG ARG A 21 34.157 8.042 16.199 1.00 0.00 C ATOM 358 CD ARG A 21 34.501 9.508 15.874 1.00 0.00 C ATOM 359 NE ARG A 21 33.314 10.382 16.072 1.00 0.00 N ATOM 360 CZ ARG A 21 33.226 11.654 15.696 1.00 0.00 C ATOM 361 NH1 ARG A 21 34.188 12.317 15.091 1.00 0.00 N ATOM 362 NH2 ARG A 21 32.110 12.282 15.942 1.00 0.00 N ATOM 0 H ARG A 21 32.451 5.818 13.410 1.00 0.00 H new ATOM 0 HA ARG A 21 33.430 5.348 15.995 1.00 0.00 H new ATOM 0 HB2 ARG A 21 33.888 7.230 14.215 1.00 0.00 H new ATOM 0 HB3 ARG A 21 32.467 8.032 14.854 1.00 0.00 H new ATOM 0 HG2 ARG A 21 33.633 8.002 17.154 1.00 0.00 H new ATOM 0 HG3 ARG A 21 35.082 7.477 16.319 1.00 0.00 H new ATOM 0 HD2 ARG A 21 35.318 9.845 16.512 1.00 0.00 H new ATOM 0 HD3 ARG A 21 34.848 9.586 14.844 1.00 0.00 H new ATOM 0 HE ARG A 21 32.502 9.972 16.534 1.00 0.00 H new ATOM 0 HH11 ARG A 21 35.073 11.854 14.882 1.00 0.00 H new ATOM 0 HH12 ARG A 21 34.049 13.294 14.831 1.00 0.00 H new ATOM 0 HH21 ARG A 21 31.343 11.796 16.408 1.00 0.00 H new ATOM 0 HH22 ARG A 21 32.004 13.259 15.669 1.00 0.00 H new ATOM 376 N ALA A 22 30.385 6.676 16.237 1.00 0.00 N ATOM 377 CA ALA A 22 29.161 6.631 17.086 1.00 0.00 C ATOM 378 C ALA A 22 28.636 5.230 17.554 1.00 0.00 C ATOM 379 O ALA A 22 27.966 5.156 18.588 1.00 0.00 O ATOM 380 CB ALA A 22 28.084 7.394 16.293 1.00 0.00 C ATOM 0 H ALA A 22 30.239 7.139 15.340 1.00 0.00 H new ATOM 0 HA ALA A 22 29.421 7.080 18.045 1.00 0.00 H new ATOM 0 HB1 ALA A 22 27.152 7.402 16.859 1.00 0.00 H new ATOM 0 HB2 ALA A 22 28.414 8.419 16.124 1.00 0.00 H new ATOM 0 HB3 ALA A 22 27.922 6.902 15.334 1.00 0.00 H new ATOM 386 N LEU A 23 28.973 4.136 16.845 1.00 0.00 N ATOM 387 CA LEU A 23 28.815 2.745 17.353 1.00 0.00 C ATOM 388 C LEU A 23 30.007 2.190 18.218 1.00 0.00 C ATOM 389 O LEU A 23 30.048 0.990 18.497 1.00 0.00 O ATOM 390 CB LEU A 23 28.576 1.860 16.101 1.00 0.00 C ATOM 391 CG LEU A 23 27.240 2.056 15.338 1.00 0.00 C ATOM 392 CD1 LEU A 23 27.289 1.267 14.025 1.00 0.00 C ATOM 393 CD2 LEU A 23 26.007 1.650 16.165 1.00 0.00 C ATOM 0 H LEU A 23 29.363 4.183 15.904 1.00 0.00 H new ATOM 0 HA LEU A 23 27.982 2.732 18.056 1.00 0.00 H new ATOM 0 HB2 LEU A 23 29.393 2.037 15.402 1.00 0.00 H new ATOM 0 HB3 LEU A 23 28.639 0.816 16.408 1.00 0.00 H new ATOM 0 HG LEU A 23 27.131 3.121 15.135 1.00 0.00 H new ATOM 0 HD11 LEU A 23 26.352 1.401 13.485 1.00 0.00 H new ATOM 0 HD12 LEU A 23 28.116 1.629 13.414 1.00 0.00 H new ATOM 0 HD13 LEU A 23 27.434 0.209 14.242 1.00 0.00 H new ATOM 0 HD21 LEU A 23 25.104 1.811 15.575 1.00 0.00 H new ATOM 0 HD22 LEU A 23 26.081 0.597 16.435 1.00 0.00 H new ATOM 0 HD23 LEU A 23 25.961 2.255 17.071 1.00 0.00 H new ATOM 405 N ASP A 24 30.968 3.030 18.658 1.00 0.00 N ATOM 406 CA ASP A 24 32.220 2.592 19.355 1.00 0.00 C ATOM 407 C ASP A 24 33.169 1.642 18.534 1.00 0.00 C ATOM 408 O ASP A 24 33.831 0.768 19.103 1.00 0.00 O ATOM 409 CB ASP A 24 31.913 2.075 20.795 1.00 0.00 C ATOM 410 CG ASP A 24 31.357 3.080 21.805 1.00 0.00 C ATOM 411 OD1 ASP A 24 31.361 4.299 21.661 1.00 0.00 O ATOM 412 OD2 ASP A 24 30.866 2.458 22.912 1.00 0.00 O ATOM 0 H ASP A 24 30.907 4.042 18.544 1.00 0.00 H new ATOM 0 HA ASP A 24 32.823 3.495 19.445 1.00 0.00 H new ATOM 0 HB2 ASP A 24 31.202 1.253 20.712 1.00 0.00 H new ATOM 0 HB3 ASP A 24 32.833 1.660 21.206 1.00 0.00 H new ATOM 418 N VAL A 25 33.280 1.836 17.206 1.00 0.00 N ATOM 419 CA VAL A 25 34.104 0.955 16.323 1.00 0.00 C ATOM 420 C VAL A 25 35.515 1.613 16.112 1.00 0.00 C ATOM 421 O VAL A 25 35.655 2.824 15.910 1.00 0.00 O ATOM 422 CB VAL A 25 33.328 0.621 15.000 1.00 0.00 C ATOM 423 CG1 VAL A 25 34.135 -0.261 14.019 1.00 0.00 C ATOM 424 CG2 VAL A 25 31.959 -0.083 15.223 1.00 0.00 C ATOM 0 H VAL A 25 32.812 2.594 16.710 1.00 0.00 H new ATOM 0 HA VAL A 25 34.283 -0.012 16.793 1.00 0.00 H new ATOM 0 HB VAL A 25 33.162 1.609 14.571 1.00 0.00 H new ATOM 0 HG11 VAL A 25 33.539 -0.453 13.127 1.00 0.00 H new ATOM 0 HG12 VAL A 25 35.053 0.254 13.738 1.00 0.00 H new ATOM 0 HG13 VAL A 25 34.383 -1.207 14.500 1.00 0.00 H new ATOM 0 HG21 VAL A 25 31.489 -0.278 14.259 1.00 0.00 H new ATOM 0 HG22 VAL A 25 32.116 -1.025 15.748 1.00 0.00 H new ATOM 0 HG23 VAL A 25 31.312 0.561 15.819 1.00 0.00 H new ATOM 434 N ASN A 26 36.572 0.787 16.149 1.00 0.00 N ATOM 435 CA ASN A 26 37.985 1.227 15.993 1.00 0.00 C ATOM 436 C ASN A 26 38.374 1.779 14.579 1.00 0.00 C ATOM 437 O ASN A 26 37.794 1.391 13.561 1.00 0.00 O ATOM 438 CB ASN A 26 38.876 0.024 16.434 1.00 0.00 C ATOM 439 CG ASN A 26 38.667 -1.317 15.702 1.00 0.00 C ATOM 440 OD1 ASN A 26 37.714 -2.048 15.944 1.00 0.00 O ATOM 441 ND2 ASN A 26 39.513 -1.659 14.771 1.00 0.00 N ATOM 0 H ASN A 26 36.478 -0.219 16.289 1.00 0.00 H new ATOM 0 HA ASN A 26 38.145 2.102 16.624 1.00 0.00 H new ATOM 0 HB2 ASN A 26 39.919 0.315 16.313 1.00 0.00 H new ATOM 0 HB3 ASN A 26 38.713 -0.144 17.499 1.00 0.00 H new ATOM 0 HD21 ASN A 26 39.378 -2.527 14.253 1.00 0.00 H new ATOM 0 HD22 ASN A 26 40.310 -1.058 14.561 1.00 0.00 H new ATOM 448 N VAL A 27 39.406 2.647 14.520 1.00 0.00 N ATOM 449 CA VAL A 27 39.880 3.305 13.251 1.00 0.00 C ATOM 450 C VAL A 27 40.209 2.328 12.064 1.00 0.00 C ATOM 451 O VAL A 27 39.785 2.596 10.936 1.00 0.00 O ATOM 452 CB VAL A 27 41.022 4.339 13.565 1.00 0.00 C ATOM 453 CG1 VAL A 27 41.618 5.033 12.313 1.00 0.00 C ATOM 454 CG2 VAL A 27 40.566 5.487 14.502 1.00 0.00 C ATOM 0 H VAL A 27 39.944 2.921 15.342 1.00 0.00 H new ATOM 0 HA VAL A 27 39.026 3.856 12.856 1.00 0.00 H new ATOM 0 HB VAL A 27 41.775 3.711 14.042 1.00 0.00 H new ATOM 0 HG11 VAL A 27 42.398 5.729 12.620 1.00 0.00 H new ATOM 0 HG12 VAL A 27 42.044 4.281 11.648 1.00 0.00 H new ATOM 0 HG13 VAL A 27 40.832 5.577 11.790 1.00 0.00 H new ATOM 0 HG21 VAL A 27 41.401 6.165 14.679 1.00 0.00 H new ATOM 0 HG22 VAL A 27 39.747 6.034 14.035 1.00 0.00 H new ATOM 0 HG23 VAL A 27 40.230 5.070 15.451 1.00 0.00 H new ATOM 464 N ALA A 28 40.902 1.198 12.305 1.00 0.00 N ATOM 465 CA ALA A 28 41.104 0.144 11.273 1.00 0.00 C ATOM 466 C ALA A 28 39.806 -0.481 10.657 1.00 0.00 C ATOM 467 O ALA A 28 39.714 -0.548 9.432 1.00 0.00 O ATOM 468 CB ALA A 28 42.056 -0.912 11.864 1.00 0.00 C ATOM 0 H ALA A 28 41.334 0.985 13.204 1.00 0.00 H new ATOM 0 HA ALA A 28 41.545 0.625 10.400 1.00 0.00 H new ATOM 0 HB1 ALA A 28 42.225 -1.701 11.131 1.00 0.00 H new ATOM 0 HB2 ALA A 28 43.007 -0.443 12.118 1.00 0.00 H new ATOM 0 HB3 ALA A 28 41.611 -1.341 12.762 1.00 0.00 H new ATOM 474 N LEU A 29 38.800 -0.884 11.458 1.00 0.00 N ATOM 475 CA LEU A 29 37.466 -1.315 10.932 1.00 0.00 C ATOM 476 C LEU A 29 36.503 -0.174 10.447 1.00 0.00 C ATOM 477 O LEU A 29 35.704 -0.418 9.541 1.00 0.00 O ATOM 478 CB LEU A 29 36.845 -2.262 11.999 1.00 0.00 C ATOM 479 CG LEU A 29 35.530 -3.003 11.632 1.00 0.00 C ATOM 480 CD1 LEU A 29 35.654 -3.858 10.357 1.00 0.00 C ATOM 481 CD2 LEU A 29 35.087 -3.905 12.797 1.00 0.00 C ATOM 0 H LEU A 29 38.875 -0.924 12.474 1.00 0.00 H new ATOM 0 HA LEU A 29 37.623 -1.840 9.990 1.00 0.00 H new ATOM 0 HB2 LEU A 29 37.592 -3.013 12.256 1.00 0.00 H new ATOM 0 HB3 LEU A 29 36.659 -1.676 12.899 1.00 0.00 H new ATOM 0 HG LEU A 29 34.786 -2.230 11.439 1.00 0.00 H new ATOM 0 HD11 LEU A 29 34.702 -4.350 10.155 1.00 0.00 H new ATOM 0 HD12 LEU A 29 35.919 -3.219 9.515 1.00 0.00 H new ATOM 0 HD13 LEU A 29 36.429 -4.612 10.498 1.00 0.00 H new ATOM 0 HD21 LEU A 29 34.164 -4.419 12.528 1.00 0.00 H new ATOM 0 HD22 LEU A 29 35.865 -4.640 13.004 1.00 0.00 H new ATOM 0 HD23 LEU A 29 34.918 -3.296 13.685 1.00 0.00 H new ATOM 493 N ARG A 30 36.600 1.072 10.956 1.00 0.00 N ATOM 494 CA ARG A 30 36.083 2.286 10.248 1.00 0.00 C ATOM 495 C ARG A 30 36.629 2.456 8.783 1.00 0.00 C ATOM 496 O ARG A 30 35.835 2.557 7.842 1.00 0.00 O ATOM 497 CB ARG A 30 36.357 3.544 11.120 1.00 0.00 C ATOM 498 CG ARG A 30 35.548 3.670 12.440 1.00 0.00 C ATOM 499 CD ARG A 30 35.992 4.803 13.385 1.00 0.00 C ATOM 500 NE ARG A 30 35.813 6.138 12.759 1.00 0.00 N ATOM 501 CZ ARG A 30 36.445 7.253 13.112 1.00 0.00 C ATOM 502 NH1 ARG A 30 37.347 7.327 14.064 1.00 0.00 N ATOM 503 NH2 ARG A 30 36.130 8.350 12.482 1.00 0.00 N ATOM 0 H ARG A 30 37.032 1.275 11.858 1.00 0.00 H new ATOM 0 HA ARG A 30 35.008 2.154 10.122 1.00 0.00 H new ATOM 0 HB2 ARG A 30 37.418 3.560 11.369 1.00 0.00 H new ATOM 0 HB3 ARG A 30 36.158 4.428 10.514 1.00 0.00 H new ATOM 0 HG2 ARG A 30 34.498 3.820 12.189 1.00 0.00 H new ATOM 0 HG3 ARG A 30 35.615 2.725 12.978 1.00 0.00 H new ATOM 0 HD2 ARG A 30 35.416 4.754 14.309 1.00 0.00 H new ATOM 0 HD3 ARG A 30 37.039 4.664 13.654 1.00 0.00 H new ATOM 0 HE ARG A 30 35.146 6.205 11.990 1.00 0.00 H new ATOM 0 HH11 ARG A 30 37.604 6.491 14.589 1.00 0.00 H new ATOM 0 HH12 ARG A 30 37.790 8.220 14.278 1.00 0.00 H new ATOM 0 HH21 ARG A 30 35.422 8.331 11.748 1.00 0.00 H new ATOM 0 HH22 ARG A 30 36.592 9.227 12.723 1.00 0.00 H new ATOM 517 N LYS A 31 37.963 2.423 8.586 1.00 0.00 N ATOM 518 CA LYS A 31 38.595 2.359 7.237 1.00 0.00 C ATOM 519 C LYS A 31 38.268 1.058 6.426 1.00 0.00 C ATOM 520 O LYS A 31 37.798 1.173 5.291 1.00 0.00 O ATOM 521 CB LYS A 31 40.132 2.578 7.368 1.00 0.00 C ATOM 522 CG LYS A 31 40.623 3.942 7.916 1.00 0.00 C ATOM 523 CD LYS A 31 40.448 5.127 6.940 1.00 0.00 C ATOM 524 CE LYS A 31 40.848 6.494 7.525 1.00 0.00 C ATOM 525 NZ LYS A 31 42.314 6.660 7.574 1.00 0.00 N ATOM 0 H LYS A 31 38.638 2.440 9.351 1.00 0.00 H new ATOM 0 HA LYS A 31 38.154 3.164 6.650 1.00 0.00 H new ATOM 0 HB2 LYS A 31 40.528 1.795 8.015 1.00 0.00 H new ATOM 0 HB3 LYS A 31 40.576 2.433 6.383 1.00 0.00 H new ATOM 0 HG2 LYS A 31 40.084 4.164 8.837 1.00 0.00 H new ATOM 0 HG3 LYS A 31 41.678 3.856 8.177 1.00 0.00 H new ATOM 0 HD2 LYS A 31 41.044 4.938 6.047 1.00 0.00 H new ATOM 0 HD3 LYS A 31 39.406 5.171 6.624 1.00 0.00 H new ATOM 0 HE2 LYS A 31 40.412 7.290 6.921 1.00 0.00 H new ATOM 0 HE3 LYS A 31 40.437 6.594 8.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 42.545 7.592 7.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 42.728 5.915 8.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 42.704 6.590 6.612 1.00 0.00 H new ATOM 538 N ILE A 32 38.440 -0.164 6.980 1.00 0.00 N ATOM 539 CA ILE A 32 38.107 -1.456 6.279 1.00 0.00 C ATOM 540 C ILE A 32 36.546 -1.740 6.312 1.00 0.00 C ATOM 541 O ILE A 32 36.044 -2.736 6.838 1.00 0.00 O ATOM 542 CB ILE A 32 39.010 -2.625 6.833 1.00 0.00 C ATOM 543 CG1 ILE A 32 40.550 -2.344 6.861 1.00 0.00 C ATOM 544 CG2 ILE A 32 38.809 -3.945 6.041 1.00 0.00 C ATOM 545 CD1 ILE A 32 41.323 -3.165 7.911 1.00 0.00 C ATOM 0 H ILE A 32 38.811 -0.298 7.921 1.00 0.00 H new ATOM 0 HA ILE A 32 38.348 -1.377 5.219 1.00 0.00 H new ATOM 0 HB ILE A 32 38.666 -2.711 7.864 1.00 0.00 H new ATOM 0 HG12 ILE A 32 40.964 -2.554 5.875 1.00 0.00 H new ATOM 0 HG13 ILE A 32 40.711 -1.284 7.055 1.00 0.00 H new ATOM 0 HG21 ILE A 32 39.451 -4.721 6.458 1.00 0.00 H new ATOM 0 HG22 ILE A 32 37.767 -4.258 6.114 1.00 0.00 H new ATOM 0 HG23 ILE A 32 39.067 -3.784 4.994 1.00 0.00 H new ATOM 0 HD11 ILE A 32 42.382 -2.911 7.864 1.00 0.00 H new ATOM 0 HD12 ILE A 32 40.939 -2.938 8.905 1.00 0.00 H new ATOM 0 HD13 ILE A 32 41.196 -4.228 7.707 1.00 0.00 H new ATOM 557 N ALA A 33 35.805 -0.805 5.703 1.00 0.00 N ATOM 558 CA ALA A 33 34.321 -0.731 5.667 1.00 0.00 C ATOM 559 C ALA A 33 33.890 0.482 4.782 1.00 0.00 C ATOM 560 O ALA A 33 33.199 0.294 3.780 1.00 0.00 O ATOM 561 CB ALA A 33 33.668 -0.687 7.069 1.00 0.00 C ATOM 0 H ALA A 33 36.238 -0.035 5.193 1.00 0.00 H new ATOM 0 HA ALA A 33 33.953 -1.655 5.222 1.00 0.00 H new ATOM 0 HB1 ALA A 33 32.584 -0.634 6.964 1.00 0.00 H new ATOM 0 HB2 ALA A 33 33.935 -1.587 7.623 1.00 0.00 H new ATOM 0 HB3 ALA A 33 34.024 0.191 7.609 1.00 0.00 H new ATOM 567 N ASN A 34 34.342 1.712 5.106 1.00 0.00 N ATOM 568 CA ASN A 34 34.338 2.865 4.160 1.00 0.00 C ATOM 569 C ASN A 34 35.118 2.670 2.819 1.00 0.00 C ATOM 570 O ASN A 34 34.626 3.084 1.765 1.00 0.00 O ATOM 571 CB ASN A 34 34.830 4.088 4.987 1.00 0.00 C ATOM 572 CG ASN A 34 35.031 5.435 4.275 1.00 0.00 C ATOM 573 OD1 ASN A 34 36.129 5.974 4.233 1.00 0.00 O ATOM 574 ND2 ASN A 34 34.013 6.042 3.721 1.00 0.00 N ATOM 0 H ASN A 34 34.720 1.941 6.025 1.00 0.00 H new ATOM 0 HA ASN A 34 33.326 3.003 3.779 1.00 0.00 H new ATOM 0 HB2 ASN A 34 34.117 4.246 5.796 1.00 0.00 H new ATOM 0 HB3 ASN A 34 35.779 3.814 5.447 1.00 0.00 H new ATOM 0 HD21 ASN A 34 34.144 6.946 3.266 1.00 0.00 H new ATOM 0 HD22 ASN A 34 33.089 5.612 3.744 1.00 0.00 H new ATOM 581 N LEU A 35 36.317 2.072 2.866 1.00 0.00 N ATOM 582 CA LEU A 35 37.173 1.877 1.657 1.00 0.00 C ATOM 583 C LEU A 35 36.784 0.678 0.723 1.00 0.00 C ATOM 584 O LEU A 35 37.177 0.674 -0.446 1.00 0.00 O ATOM 585 CB LEU A 35 38.664 1.802 2.101 1.00 0.00 C ATOM 586 CG LEU A 35 39.249 2.996 2.914 1.00 0.00 C ATOM 587 CD1 LEU A 35 40.733 2.745 3.225 1.00 0.00 C ATOM 588 CD2 LEU A 35 39.076 4.364 2.229 1.00 0.00 C ATOM 0 H LEU A 35 36.729 1.709 3.726 1.00 0.00 H new ATOM 0 HA LEU A 35 36.999 2.745 1.022 1.00 0.00 H new ATOM 0 HB2 LEU A 35 38.789 0.899 2.698 1.00 0.00 H new ATOM 0 HB3 LEU A 35 39.273 1.678 1.205 1.00 0.00 H new ATOM 0 HG LEU A 35 38.672 3.045 3.837 1.00 0.00 H new ATOM 0 HD11 LEU A 35 41.133 3.585 3.793 1.00 0.00 H new ATOM 0 HD12 LEU A 35 40.833 1.831 3.810 1.00 0.00 H new ATOM 0 HD13 LEU A 35 41.288 2.641 2.292 1.00 0.00 H new ATOM 0 HD21 LEU A 35 39.509 5.143 2.857 1.00 0.00 H new ATOM 0 HD22 LEU A 35 39.582 4.354 1.263 1.00 0.00 H new ATOM 0 HD23 LEU A 35 38.015 4.565 2.081 1.00 0.00 H new ATOM 600 N LEU A 36 36.021 -0.313 1.218 1.00 0.00 N ATOM 601 CA LEU A 36 35.439 -1.404 0.385 1.00 0.00 C ATOM 602 C LEU A 36 33.923 -1.155 0.091 1.00 0.00 C ATOM 603 O LEU A 36 33.179 -0.679 0.954 1.00 0.00 O ATOM 604 CB LEU A 36 35.796 -2.786 0.999 1.00 0.00 C ATOM 605 CG LEU A 36 35.243 -3.103 2.411 1.00 0.00 C ATOM 606 CD1 LEU A 36 33.880 -3.809 2.359 1.00 0.00 C ATOM 607 CD2 LEU A 36 36.230 -3.955 3.223 1.00 0.00 C ATOM 0 H LEU A 36 35.785 -0.388 2.207 1.00 0.00 H new ATOM 0 HA LEU A 36 35.891 -1.406 -0.607 1.00 0.00 H new ATOM 0 HB2 LEU A 36 35.442 -3.559 0.317 1.00 0.00 H new ATOM 0 HB3 LEU A 36 36.882 -2.867 1.037 1.00 0.00 H new ATOM 0 HG LEU A 36 35.110 -2.141 2.906 1.00 0.00 H new ATOM 0 HD11 LEU A 36 33.535 -4.010 3.373 1.00 0.00 H new ATOM 0 HD12 LEU A 36 33.158 -3.170 1.850 1.00 0.00 H new ATOM 0 HD13 LEU A 36 33.978 -4.749 1.816 1.00 0.00 H new ATOM 0 HD21 LEU A 36 35.810 -4.159 4.208 1.00 0.00 H new ATOM 0 HD22 LEU A 36 36.411 -4.896 2.704 1.00 0.00 H new ATOM 0 HD23 LEU A 36 37.171 -3.416 3.334 1.00 0.00 H new ATOM 619 N LYS A 37 33.459 -1.481 -1.128 1.00 0.00 N ATOM 620 CA LYS A 37 32.054 -1.237 -1.553 1.00 0.00 C ATOM 621 C LYS A 37 31.227 -2.573 -1.502 1.00 0.00 C ATOM 622 O LYS A 37 31.366 -3.375 -2.433 1.00 0.00 O ATOM 623 CB LYS A 37 32.061 -0.582 -2.963 1.00 0.00 C ATOM 624 CG LYS A 37 32.675 0.839 -3.050 1.00 0.00 C ATOM 625 CD LYS A 37 32.076 1.747 -4.150 1.00 0.00 C ATOM 626 CE LYS A 37 32.383 1.381 -5.616 1.00 0.00 C ATOM 627 NZ LYS A 37 31.563 0.249 -6.099 1.00 0.00 N ATOM 0 H LYS A 37 34.036 -1.918 -1.847 1.00 0.00 H new ATOM 0 HA LYS A 37 31.562 -0.547 -0.867 1.00 0.00 H new ATOM 0 HB2 LYS A 37 32.609 -1.235 -3.642 1.00 0.00 H new ATOM 0 HB3 LYS A 37 31.034 -0.535 -3.325 1.00 0.00 H new ATOM 0 HG2 LYS A 37 32.549 1.332 -2.086 1.00 0.00 H new ATOM 0 HG3 LYS A 37 33.747 0.745 -3.223 1.00 0.00 H new ATOM 0 HD2 LYS A 37 30.993 1.758 -4.025 1.00 0.00 H new ATOM 0 HD3 LYS A 37 32.427 2.764 -3.976 1.00 0.00 H new ATOM 0 HE2 LYS A 37 32.206 2.250 -6.249 1.00 0.00 H new ATOM 0 HE3 LYS A 37 33.439 1.127 -5.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 31.667 0.160 -7.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 31.881 -0.630 -5.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 30.564 0.419 -5.865 1.00 0.00 H new ATOM 640 N PRO A 38 30.377 -2.882 -0.473 1.00 0.00 N ATOM 641 CA PRO A 38 29.682 -4.196 -0.384 1.00 0.00 C ATOM 642 C PRO A 38 28.463 -4.418 -1.342 1.00 0.00 C ATOM 643 O PRO A 38 27.957 -3.519 -2.020 1.00 0.00 O ATOM 644 CB PRO A 38 29.317 -4.251 1.117 1.00 0.00 C ATOM 645 CG PRO A 38 29.155 -2.797 1.549 1.00 0.00 C ATOM 646 CD PRO A 38 30.256 -2.088 0.767 1.00 0.00 C ATOM 0 HA PRO A 38 30.316 -5.012 -0.731 1.00 0.00 H new ATOM 0 HB2 PRO A 38 28.397 -4.813 1.277 1.00 0.00 H new ATOM 0 HB3 PRO A 38 30.098 -4.747 1.693 1.00 0.00 H new ATOM 0 HG2 PRO A 38 28.167 -2.409 1.300 1.00 0.00 H new ATOM 0 HG3 PRO A 38 29.282 -2.678 2.625 1.00 0.00 H new ATOM 0 HD2 PRO A 38 29.992 -1.052 0.554 1.00 0.00 H new ATOM 0 HD3 PRO A 38 31.193 -2.070 1.323 1.00 0.00 H new ATOM 654 N ASP A 39 28.012 -5.679 -1.366 1.00 0.00 N ATOM 655 CA ASP A 39 26.818 -6.128 -2.135 1.00 0.00 C ATOM 656 C ASP A 39 25.598 -6.310 -1.171 1.00 0.00 C ATOM 657 O ASP A 39 25.767 -6.620 0.013 1.00 0.00 O ATOM 658 CB ASP A 39 27.103 -7.490 -2.835 1.00 0.00 C ATOM 659 CG ASP A 39 28.407 -7.705 -3.606 1.00 0.00 C ATOM 660 OD1 ASP A 39 28.458 -7.769 -4.832 1.00 0.00 O ATOM 661 OD2 ASP A 39 29.475 -7.915 -2.776 1.00 0.00 O ATOM 0 H ASP A 39 28.463 -6.434 -0.849 1.00 0.00 H new ATOM 0 HA ASP A 39 26.592 -5.370 -2.885 1.00 0.00 H new ATOM 0 HB2 ASP A 39 27.050 -8.264 -2.069 1.00 0.00 H new ATOM 0 HB3 ASP A 39 26.284 -7.673 -3.530 1.00 0.00 H new ATOM 667 N LYS A 40 24.364 -6.195 -1.681 1.00 0.00 N ATOM 668 CA LYS A 40 23.135 -6.528 -0.905 1.00 0.00 C ATOM 669 C LYS A 40 22.253 -7.502 -1.736 1.00 0.00 C ATOM 670 O LYS A 40 21.726 -7.124 -2.784 1.00 0.00 O ATOM 671 CB LYS A 40 22.384 -5.240 -0.465 1.00 0.00 C ATOM 672 CG LYS A 40 23.055 -4.505 0.719 1.00 0.00 C ATOM 673 CD LYS A 40 22.424 -3.144 1.071 1.00 0.00 C ATOM 674 CE LYS A 40 21.243 -3.190 2.047 1.00 0.00 C ATOM 675 NZ LYS A 40 21.713 -3.318 3.443 1.00 0.00 N ATOM 0 H LYS A 40 24.178 -5.873 -2.631 1.00 0.00 H new ATOM 0 HA LYS A 40 23.406 -7.038 0.020 1.00 0.00 H new ATOM 0 HB2 LYS A 40 22.319 -4.560 -1.314 1.00 0.00 H new ATOM 0 HB3 LYS A 40 21.363 -5.502 -0.187 1.00 0.00 H new ATOM 0 HG2 LYS A 40 23.014 -5.148 1.598 1.00 0.00 H new ATOM 0 HG3 LYS A 40 24.108 -4.352 0.484 1.00 0.00 H new ATOM 0 HD2 LYS A 40 23.198 -2.505 1.496 1.00 0.00 H new ATOM 0 HD3 LYS A 40 22.090 -2.670 0.148 1.00 0.00 H new ATOM 0 HE2 LYS A 40 20.645 -2.285 1.943 1.00 0.00 H new ATOM 0 HE3 LYS A 40 20.595 -4.031 1.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 20.894 -3.398 4.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 22.306 -4.168 3.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 22.270 -2.478 3.700 1.00 0.00 H new ATOM 688 N GLU A 41 22.079 -8.751 -1.270 1.00 0.00 N ATOM 689 CA GLU A 41 21.084 -9.696 -1.854 1.00 0.00 C ATOM 690 C GLU A 41 19.834 -9.748 -0.926 1.00 0.00 C ATOM 691 O GLU A 41 19.859 -10.364 0.146 1.00 0.00 O ATOM 692 CB GLU A 41 21.744 -11.075 -2.118 1.00 0.00 C ATOM 693 CG GLU A 41 20.844 -12.077 -2.887 1.00 0.00 C ATOM 694 CD GLU A 41 21.503 -13.440 -3.112 1.00 0.00 C ATOM 695 OE1 GLU A 41 22.346 -13.640 -3.982 1.00 0.00 O ATOM 696 OE2 GLU A 41 21.053 -14.397 -2.244 1.00 0.00 O ATOM 0 H GLU A 41 22.610 -9.139 -0.490 1.00 0.00 H new ATOM 0 HA GLU A 41 20.738 -9.352 -2.829 1.00 0.00 H new ATOM 0 HB2 GLU A 41 22.663 -10.922 -2.684 1.00 0.00 H new ATOM 0 HB3 GLU A 41 22.027 -11.518 -1.163 1.00 0.00 H new ATOM 0 HG2 GLU A 41 19.915 -12.218 -2.334 1.00 0.00 H new ATOM 0 HG3 GLU A 41 20.578 -11.647 -3.853 1.00 0.00 H new ATOM 704 N ILE A 42 18.747 -9.077 -1.338 1.00 0.00 N ATOM 705 CA ILE A 42 17.500 -8.985 -0.526 1.00 0.00 C ATOM 706 C ILE A 42 16.493 -10.056 -1.056 1.00 0.00 C ATOM 707 O ILE A 42 16.129 -10.054 -2.236 1.00 0.00 O ATOM 708 CB ILE A 42 16.915 -7.525 -0.487 1.00 0.00 C ATOM 709 CG1 ILE A 42 17.935 -6.478 0.059 1.00 0.00 C ATOM 710 CG2 ILE A 42 15.608 -7.464 0.357 1.00 0.00 C ATOM 711 CD1 ILE A 42 17.533 -5.000 -0.073 1.00 0.00 C ATOM 0 H ILE A 42 18.696 -8.585 -2.230 1.00 0.00 H new ATOM 0 HA ILE A 42 17.719 -9.205 0.519 1.00 0.00 H new ATOM 0 HB ILE A 42 16.693 -7.265 -1.522 1.00 0.00 H new ATOM 0 HG12 ILE A 42 18.112 -6.691 1.113 1.00 0.00 H new ATOM 0 HG13 ILE A 42 18.883 -6.622 -0.459 1.00 0.00 H new ATOM 0 HG21 ILE A 42 15.228 -6.443 0.365 1.00 0.00 H new ATOM 0 HG22 ILE A 42 14.861 -8.126 -0.081 1.00 0.00 H new ATOM 0 HG23 ILE A 42 15.819 -7.781 1.378 1.00 0.00 H new ATOM 0 HD11 ILE A 42 18.321 -4.370 0.341 1.00 0.00 H new ATOM 0 HD12 ILE A 42 17.388 -4.755 -1.125 1.00 0.00 H new ATOM 0 HD13 ILE A 42 16.605 -4.825 0.472 1.00 0.00 H new ATOM 723 N VAL A 43 16.013 -10.930 -0.156 1.00 0.00 N ATOM 724 CA VAL A 43 14.811 -11.781 -0.408 1.00 0.00 C ATOM 725 C VAL A 43 13.664 -11.216 0.491 1.00 0.00 C ATOM 726 O VAL A 43 13.709 -11.318 1.720 1.00 0.00 O ATOM 727 CB VAL A 43 15.145 -13.300 -0.201 1.00 0.00 C ATOM 728 CG1 VAL A 43 13.909 -14.225 -0.090 1.00 0.00 C ATOM 729 CG2 VAL A 43 16.006 -13.854 -1.363 1.00 0.00 C ATOM 0 H VAL A 43 16.434 -11.075 0.762 1.00 0.00 H new ATOM 0 HA VAL A 43 14.476 -11.737 -1.444 1.00 0.00 H new ATOM 0 HB VAL A 43 15.679 -13.315 0.749 1.00 0.00 H new ATOM 0 HG11 VAL A 43 14.237 -15.255 0.051 1.00 0.00 H new ATOM 0 HG12 VAL A 43 13.300 -13.918 0.760 1.00 0.00 H new ATOM 0 HG13 VAL A 43 13.318 -14.154 -1.003 1.00 0.00 H new ATOM 0 HG21 VAL A 43 16.219 -14.908 -1.187 1.00 0.00 H new ATOM 0 HG22 VAL A 43 15.463 -13.745 -2.302 1.00 0.00 H new ATOM 0 HG23 VAL A 43 16.943 -13.299 -1.418 1.00 0.00 H new ATOM 739 N GLN A 44 12.636 -10.633 -0.146 1.00 0.00 N ATOM 740 CA GLN A 44 11.388 -10.187 0.527 1.00 0.00 C ATOM 741 C GLN A 44 10.274 -11.265 0.308 1.00 0.00 C ATOM 742 O GLN A 44 9.658 -11.331 -0.762 1.00 0.00 O ATOM 743 CB GLN A 44 11.015 -8.800 -0.067 1.00 0.00 C ATOM 744 CG GLN A 44 9.784 -8.124 0.593 1.00 0.00 C ATOM 745 CD GLN A 44 9.264 -6.907 -0.173 1.00 0.00 C ATOM 746 OE1 GLN A 44 9.908 -5.869 -0.269 1.00 0.00 O ATOM 747 NE2 GLN A 44 8.089 -6.978 -0.746 1.00 0.00 N ATOM 0 H GLN A 44 12.640 -10.453 -1.150 1.00 0.00 H new ATOM 0 HA GLN A 44 11.512 -10.081 1.605 1.00 0.00 H new ATOM 0 HB2 GLN A 44 11.873 -8.135 0.030 1.00 0.00 H new ATOM 0 HB3 GLN A 44 10.821 -8.916 -1.133 1.00 0.00 H new ATOM 0 HG2 GLN A 44 8.982 -8.857 0.680 1.00 0.00 H new ATOM 0 HG3 GLN A 44 10.048 -7.819 1.606 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.539 -7.834 -0.677 1.00 0.00 H new ATOM 0 HE22 GLN A 44 7.724 -6.177 -1.262 1.00 0.00 H new ATOM 756 N ASP A 45 10.017 -12.099 1.327 1.00 0.00 N ATOM 757 CA ASP A 45 9.078 -13.251 1.222 1.00 0.00 C ATOM 758 C ASP A 45 7.917 -13.140 2.269 1.00 0.00 C ATOM 759 O ASP A 45 7.904 -13.877 3.262 1.00 0.00 O ATOM 760 CB ASP A 45 9.962 -14.526 1.356 1.00 0.00 C ATOM 761 CG ASP A 45 9.259 -15.859 1.100 1.00 0.00 C ATOM 762 OD1 ASP A 45 9.486 -16.564 0.121 1.00 0.00 O ATOM 763 OD2 ASP A 45 8.364 -16.170 2.086 1.00 0.00 O ATOM 0 H ASP A 45 10.447 -12.004 2.247 1.00 0.00 H new ATOM 0 HA ASP A 45 8.550 -13.280 0.269 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.797 -14.439 0.661 1.00 0.00 H new ATOM 0 HB3 ASP A 45 10.384 -14.548 2.361 1.00 0.00 H new ATOM 769 N GLY A 46 6.920 -12.266 2.019 1.00 0.00 N ATOM 770 CA GLY A 46 5.669 -12.197 2.838 1.00 0.00 C ATOM 771 C GLY A 46 5.818 -11.949 4.358 1.00 0.00 C ATOM 772 O GLY A 46 5.564 -12.849 5.157 1.00 0.00 O ATOM 0 H GLY A 46 6.948 -11.591 1.255 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.043 -11.404 2.428 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.127 -13.133 2.702 1.00 0.00 H new ATOM 776 N ASP A 47 6.282 -10.755 4.747 1.00 0.00 N ATOM 777 CA ASP A 47 6.823 -10.471 6.116 1.00 0.00 C ATOM 778 C ASP A 47 8.279 -10.972 6.402 1.00 0.00 C ATOM 779 O ASP A 47 9.050 -10.229 7.005 1.00 0.00 O ATOM 780 CB ASP A 47 5.807 -10.610 7.297 1.00 0.00 C ATOM 781 CG ASP A 47 5.906 -11.814 8.243 1.00 0.00 C ATOM 782 OD1 ASP A 47 6.140 -11.701 9.443 1.00 0.00 O ATOM 783 OD2 ASP A 47 5.719 -13.009 7.611 1.00 0.00 O ATOM 0 H ASP A 47 6.300 -9.943 4.130 1.00 0.00 H new ATOM 0 HA ASP A 47 6.969 -9.392 6.072 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.889 -9.709 7.905 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.805 -10.614 6.867 1.00 0.00 H new ATOM 789 N HIS A 48 8.676 -12.196 6.009 1.00 0.00 N ATOM 790 CA HIS A 48 10.071 -12.683 6.188 1.00 0.00 C ATOM 791 C HIS A 48 11.042 -11.996 5.177 1.00 0.00 C ATOM 792 O HIS A 48 11.000 -12.263 3.973 1.00 0.00 O ATOM 793 CB HIS A 48 10.073 -14.233 6.099 1.00 0.00 C ATOM 794 CG HIS A 48 11.410 -14.955 6.321 1.00 0.00 C ATOM 795 ND1 HIS A 48 11.649 -16.221 5.807 1.00 0.00 N ATOM 796 CD2 HIS A 48 12.546 -14.487 7.019 1.00 0.00 C ATOM 797 CE1 HIS A 48 12.937 -16.400 6.241 1.00 0.00 C ATOM 798 NE2 HIS A 48 13.552 -15.429 6.982 1.00 0.00 N ATOM 0 H HIS A 48 8.055 -12.872 5.564 1.00 0.00 H new ATOM 0 HA HIS A 48 10.446 -12.407 7.174 1.00 0.00 H new ATOM 0 HB2 HIS A 48 9.360 -14.613 6.831 1.00 0.00 H new ATOM 0 HB3 HIS A 48 9.699 -14.514 5.115 1.00 0.00 H new ATOM 0 HD2 HIS A 48 12.616 -13.528 7.511 1.00 0.00 H new ATOM 0 HE1 HIS A 48 13.467 -17.309 5.997 1.00 0.00 H new ATOM 0 HE2 HIS A 48 14.487 -15.408 7.390 1.00 0.00 H new ATOM 806 N MET A 49 11.910 -11.111 5.686 1.00 0.00 N ATOM 807 CA MET A 49 12.915 -10.403 4.865 1.00 0.00 C ATOM 808 C MET A 49 14.349 -10.836 5.284 1.00 0.00 C ATOM 809 O MET A 49 14.751 -10.735 6.450 1.00 0.00 O ATOM 810 CB MET A 49 12.669 -8.883 4.977 1.00 0.00 C ATOM 811 CG MET A 49 13.455 -8.028 3.954 1.00 0.00 C ATOM 812 SD MET A 49 12.396 -7.277 2.700 1.00 0.00 S ATOM 813 CE MET A 49 11.304 -6.220 3.670 1.00 0.00 C ATOM 0 H MET A 49 11.939 -10.863 6.675 1.00 0.00 H new ATOM 0 HA MET A 49 12.818 -10.670 3.813 1.00 0.00 H new ATOM 0 HB2 MET A 49 11.604 -8.690 4.850 1.00 0.00 H new ATOM 0 HB3 MET A 49 12.934 -8.558 5.983 1.00 0.00 H new ATOM 0 HG2 MET A 49 13.994 -7.243 4.484 1.00 0.00 H new ATOM 0 HG3 MET A 49 14.202 -8.653 3.464 1.00 0.00 H new ATOM 0 HE1 MET A 49 11.105 -5.300 3.120 1.00 0.00 H new ATOM 0 HE2 MET A 49 10.365 -6.741 3.857 1.00 0.00 H new ATOM 0 HE3 MET A 49 11.781 -5.979 4.620 1.00 0.00 H new ATOM 823 N ILE A 50 15.119 -11.305 4.293 1.00 0.00 N ATOM 824 CA ILE A 50 16.551 -11.660 4.475 1.00 0.00 C ATOM 825 C ILE A 50 17.351 -10.553 3.723 1.00 0.00 C ATOM 826 O ILE A 50 17.424 -10.579 2.489 1.00 0.00 O ATOM 827 CB ILE A 50 16.903 -13.109 3.967 1.00 0.00 C ATOM 828 CG1 ILE A 50 15.915 -14.234 4.404 1.00 0.00 C ATOM 829 CG2 ILE A 50 18.343 -13.487 4.408 1.00 0.00 C ATOM 830 CD1 ILE A 50 16.080 -15.584 3.682 1.00 0.00 C ATOM 0 H ILE A 50 14.778 -11.452 3.343 1.00 0.00 H new ATOM 0 HA ILE A 50 16.810 -11.693 5.533 1.00 0.00 H new ATOM 0 HB ILE A 50 16.817 -13.054 2.882 1.00 0.00 H new ATOM 0 HG12 ILE A 50 16.032 -14.399 5.475 1.00 0.00 H new ATOM 0 HG13 ILE A 50 14.896 -13.880 4.245 1.00 0.00 H new ATOM 0 HG21 ILE A 50 18.581 -14.490 4.054 1.00 0.00 H new ATOM 0 HG22 ILE A 50 19.052 -12.775 3.985 1.00 0.00 H new ATOM 0 HG23 ILE A 50 18.409 -13.461 5.496 1.00 0.00 H new ATOM 0 HD11 ILE A 50 15.344 -16.292 4.062 1.00 0.00 H new ATOM 0 HD12 ILE A 50 15.930 -15.445 2.611 1.00 0.00 H new ATOM 0 HD13 ILE A 50 17.083 -15.972 3.861 1.00 0.00 H new ATOM 842 N ILE A 51 17.959 -9.592 4.444 1.00 0.00 N ATOM 843 CA ILE A 51 18.875 -8.590 3.817 1.00 0.00 C ATOM 844 C ILE A 51 20.322 -9.166 3.947 1.00 0.00 C ATOM 845 O ILE A 51 20.994 -8.974 4.968 1.00 0.00 O ATOM 846 CB ILE A 51 18.682 -7.147 4.411 1.00 0.00 C ATOM 847 CG1 ILE A 51 17.247 -6.571 4.201 1.00 0.00 C ATOM 848 CG2 ILE A 51 19.727 -6.147 3.846 1.00 0.00 C ATOM 849 CD1 ILE A 51 16.939 -5.267 4.961 1.00 0.00 C ATOM 0 H ILE A 51 17.842 -9.479 5.451 1.00 0.00 H new ATOM 0 HA ILE A 51 18.646 -8.445 2.761 1.00 0.00 H new ATOM 0 HB ILE A 51 18.834 -7.264 5.484 1.00 0.00 H new ATOM 0 HG12 ILE A 51 17.097 -6.394 3.136 1.00 0.00 H new ATOM 0 HG13 ILE A 51 16.523 -7.327 4.504 1.00 0.00 H new ATOM 0 HG21 ILE A 51 19.560 -5.162 4.281 1.00 0.00 H new ATOM 0 HG22 ILE A 51 20.731 -6.489 4.097 1.00 0.00 H new ATOM 0 HG23 ILE A 51 19.625 -6.087 2.762 1.00 0.00 H new ATOM 0 HD11 ILE A 51 15.918 -4.953 4.746 1.00 0.00 H new ATOM 0 HD12 ILE A 51 17.049 -5.436 6.032 1.00 0.00 H new ATOM 0 HD13 ILE A 51 17.632 -4.488 4.643 1.00 0.00 H new ATOM 861 N ARG A 52 20.818 -9.854 2.901 1.00 0.00 N ATOM 862 CA ARG A 52 22.204 -10.390 2.889 1.00 0.00 C ATOM 863 C ARG A 52 23.201 -9.276 2.466 1.00 0.00 C ATOM 864 O ARG A 52 23.430 -9.063 1.272 1.00 0.00 O ATOM 865 CB ARG A 52 22.344 -11.636 1.980 1.00 0.00 C ATOM 866 CG ARG A 52 21.440 -12.843 2.294 1.00 0.00 C ATOM 867 CD ARG A 52 21.724 -14.021 1.343 1.00 0.00 C ATOM 868 NE ARG A 52 20.631 -15.026 1.397 1.00 0.00 N ATOM 869 CZ ARG A 52 19.483 -14.938 0.722 1.00 0.00 C ATOM 870 NH1 ARG A 52 19.130 -13.893 0.000 1.00 0.00 N ATOM 871 NH2 ARG A 52 18.657 -15.943 0.789 1.00 0.00 N ATOM 0 H ARG A 52 20.287 -10.054 2.054 1.00 0.00 H new ATOM 0 HA ARG A 52 22.443 -10.715 3.902 1.00 0.00 H new ATOM 0 HB2 ARG A 52 22.151 -11.328 0.953 1.00 0.00 H new ATOM 0 HB3 ARG A 52 23.381 -11.970 2.023 1.00 0.00 H new ATOM 0 HG2 ARG A 52 21.598 -13.160 3.325 1.00 0.00 H new ATOM 0 HG3 ARG A 52 20.394 -12.548 2.208 1.00 0.00 H new ATOM 0 HD2 ARG A 52 21.833 -13.651 0.323 1.00 0.00 H new ATOM 0 HD3 ARG A 52 22.669 -14.492 1.614 1.00 0.00 H new ATOM 0 HE ARG A 52 20.768 -15.842 1.993 1.00 0.00 H new ATOM 0 HH11 ARG A 52 19.751 -13.086 -0.067 1.00 0.00 H new ATOM 0 HH12 ARG A 52 18.236 -13.891 -0.492 1.00 0.00 H new ATOM 0 HH21 ARG A 52 18.897 -16.764 1.345 1.00 0.00 H new ATOM 0 HH22 ARG A 52 17.771 -15.909 0.285 1.00 0.00 H new ATOM 885 N THR A 53 23.806 -8.577 3.443 1.00 0.00 N ATOM 886 CA THR A 53 24.894 -7.596 3.151 1.00 0.00 C ATOM 887 C THR A 53 26.247 -8.379 3.069 1.00 0.00 C ATOM 888 O THR A 53 26.735 -8.943 4.057 1.00 0.00 O ATOM 889 CB THR A 53 24.855 -6.400 4.142 1.00 0.00 C ATOM 890 OG1 THR A 53 23.552 -5.822 4.143 1.00 0.00 O ATOM 891 CG2 THR A 53 25.833 -5.267 3.794 1.00 0.00 C ATOM 0 H THR A 53 23.572 -8.663 4.432 1.00 0.00 H new ATOM 0 HA THR A 53 24.756 -7.116 2.182 1.00 0.00 H new ATOM 0 HB THR A 53 25.138 -6.817 5.108 1.00 0.00 H new ATOM 0 HG1 THR A 53 23.524 -5.079 4.782 1.00 0.00 H new ATOM 0 HG21 THR A 53 25.745 -4.470 4.533 1.00 0.00 H new ATOM 0 HG22 THR A 53 26.852 -5.653 3.796 1.00 0.00 H new ATOM 0 HG23 THR A 53 25.596 -4.873 2.806 1.00 0.00 H new ATOM 899 N LEU A 54 26.774 -8.479 1.841 1.00 0.00 N ATOM 900 CA LEU A 54 27.853 -9.432 1.473 1.00 0.00 C ATOM 901 C LEU A 54 29.102 -8.606 1.046 1.00 0.00 C ATOM 902 O LEU A 54 29.126 -7.968 -0.018 1.00 0.00 O ATOM 903 CB LEU A 54 27.378 -10.352 0.313 1.00 0.00 C ATOM 904 CG LEU A 54 26.125 -11.241 0.545 1.00 0.00 C ATOM 905 CD1 LEU A 54 25.472 -11.623 -0.794 1.00 0.00 C ATOM 906 CD2 LEU A 54 26.448 -12.494 1.370 1.00 0.00 C ATOM 0 H LEU A 54 26.466 -7.899 1.061 1.00 0.00 H new ATOM 0 HA LEU A 54 28.105 -10.069 2.321 1.00 0.00 H new ATOM 0 HB2 LEU A 54 27.182 -9.720 -0.553 1.00 0.00 H new ATOM 0 HB3 LEU A 54 28.207 -11.008 0.048 1.00 0.00 H new ATOM 0 HG LEU A 54 25.415 -10.650 1.123 1.00 0.00 H new ATOM 0 HD11 LEU A 54 24.597 -12.245 -0.608 1.00 0.00 H new ATOM 0 HD12 LEU A 54 25.169 -10.719 -1.322 1.00 0.00 H new ATOM 0 HD13 LEU A 54 26.187 -12.176 -1.403 1.00 0.00 H new ATOM 0 HD21 LEU A 54 25.541 -13.084 1.506 1.00 0.00 H new ATOM 0 HD22 LEU A 54 27.195 -13.092 0.847 1.00 0.00 H new ATOM 0 HD23 LEU A 54 26.838 -12.198 2.344 1.00 0.00 H new ATOM 918 N SER A 55 30.126 -8.603 1.906 1.00 0.00 N ATOM 919 CA SER A 55 31.334 -7.759 1.733 1.00 0.00 C ATOM 920 C SER A 55 32.607 -8.628 1.540 1.00 0.00 C ATOM 921 O SER A 55 32.699 -9.749 2.054 1.00 0.00 O ATOM 922 CB SER A 55 31.430 -6.818 2.965 1.00 0.00 C ATOM 923 OG SER A 55 31.913 -7.462 4.145 1.00 0.00 O ATOM 0 H SER A 55 30.150 -9.183 2.745 1.00 0.00 H new ATOM 0 HA SER A 55 31.257 -7.157 0.828 1.00 0.00 H new ATOM 0 HB2 SER A 55 32.088 -5.983 2.723 1.00 0.00 H new ATOM 0 HB3 SER A 55 30.445 -6.399 3.168 1.00 0.00 H new ATOM 0 HG SER A 55 31.228 -8.073 4.488 1.00 0.00 H new ATOM 929 N THR A 56 33.644 -8.071 0.890 1.00 0.00 N ATOM 930 CA THR A 56 35.008 -8.696 0.893 1.00 0.00 C ATOM 931 C THR A 56 35.812 -8.716 2.254 1.00 0.00 C ATOM 932 O THR A 56 36.955 -9.183 2.259 1.00 0.00 O ATOM 933 CB THR A 56 35.845 -8.136 -0.299 1.00 0.00 C ATOM 934 OG1 THR A 56 37.045 -8.893 -0.420 1.00 0.00 O ATOM 935 CG2 THR A 56 36.263 -6.657 -0.208 1.00 0.00 C ATOM 0 H THR A 56 33.581 -7.202 0.359 1.00 0.00 H new ATOM 0 HA THR A 56 34.818 -9.761 0.760 1.00 0.00 H new ATOM 0 HB THR A 56 35.175 -8.217 -1.155 1.00 0.00 H new ATOM 0 HG1 THR A 56 37.264 -9.299 0.445 1.00 0.00 H new ATOM 0 HG21 THR A 56 36.839 -6.386 -1.093 1.00 0.00 H new ATOM 0 HG22 THR A 56 35.373 -6.030 -0.148 1.00 0.00 H new ATOM 0 HG23 THR A 56 36.874 -6.506 0.682 1.00 0.00 H new ATOM 943 N PHE A 57 35.230 -8.257 3.377 1.00 0.00 N ATOM 944 CA PHE A 57 35.737 -8.535 4.749 1.00 0.00 C ATOM 945 C PHE A 57 34.869 -9.615 5.484 1.00 0.00 C ATOM 946 O PHE A 57 35.415 -10.645 5.885 1.00 0.00 O ATOM 947 CB PHE A 57 35.850 -7.170 5.484 1.00 0.00 C ATOM 948 CG PHE A 57 36.584 -7.220 6.831 1.00 0.00 C ATOM 949 CD1 PHE A 57 37.980 -7.293 6.864 1.00 0.00 C ATOM 950 CD2 PHE A 57 35.869 -7.171 8.033 1.00 0.00 C ATOM 951 CE1 PHE A 57 38.655 -7.290 8.082 1.00 0.00 C ATOM 952 CE2 PHE A 57 36.546 -7.182 9.251 1.00 0.00 C ATOM 953 CZ PHE A 57 37.938 -7.225 9.273 1.00 0.00 C ATOM 0 H PHE A 57 34.390 -7.679 3.367 1.00 0.00 H new ATOM 0 HA PHE A 57 36.728 -8.989 4.725 1.00 0.00 H new ATOM 0 HB2 PHE A 57 36.365 -6.464 4.832 1.00 0.00 H new ATOM 0 HB3 PHE A 57 34.846 -6.778 5.648 1.00 0.00 H new ATOM 0 HD1 PHE A 57 38.537 -7.352 5.941 1.00 0.00 H new ATOM 0 HD2 PHE A 57 34.790 -7.125 8.017 1.00 0.00 H new ATOM 0 HE1 PHE A 57 39.734 -7.338 8.102 1.00 0.00 H new ATOM 0 HE2 PHE A 57 35.992 -7.157 10.177 1.00 0.00 H new ATOM 0 HZ PHE A 57 38.462 -7.208 10.217 1.00 0.00 H new ATOM 963 N ARG A 58 33.549 -9.395 5.674 1.00 0.00 N ATOM 964 CA ARG A 58 32.633 -10.408 6.273 1.00 0.00 C ATOM 965 C ARG A 58 31.224 -10.479 5.588 1.00 0.00 C ATOM 966 O ARG A 58 30.731 -9.521 4.976 1.00 0.00 O ATOM 967 CB ARG A 58 32.535 -10.202 7.817 1.00 0.00 C ATOM 968 CG ARG A 58 31.737 -8.972 8.339 1.00 0.00 C ATOM 969 CD ARG A 58 31.347 -9.066 9.827 1.00 0.00 C ATOM 970 NE ARG A 58 30.253 -10.056 10.036 1.00 0.00 N ATOM 971 CZ ARG A 58 29.888 -10.553 11.215 1.00 0.00 C ATOM 972 NH1 ARG A 58 30.384 -10.169 12.372 1.00 0.00 N ATOM 973 NH2 ARG A 58 28.979 -11.488 11.218 1.00 0.00 N ATOM 0 H ARG A 58 33.086 -8.522 5.422 1.00 0.00 H new ATOM 0 HA ARG A 58 33.076 -11.385 6.081 1.00 0.00 H new ATOM 0 HB2 ARG A 58 32.086 -11.098 8.246 1.00 0.00 H new ATOM 0 HB3 ARG A 58 33.549 -10.134 8.210 1.00 0.00 H new ATOM 0 HG2 ARG A 58 32.334 -8.073 8.186 1.00 0.00 H new ATOM 0 HG3 ARG A 58 30.832 -8.859 7.743 1.00 0.00 H new ATOM 0 HD2 ARG A 58 32.218 -9.353 10.416 1.00 0.00 H new ATOM 0 HD3 ARG A 58 31.028 -8.087 10.185 1.00 0.00 H new ATOM 0 HE ARG A 58 29.745 -10.377 9.212 1.00 0.00 H new ATOM 0 HH11 ARG A 58 31.099 -9.442 12.404 1.00 0.00 H new ATOM 0 HH12 ARG A 58 30.053 -10.598 13.236 1.00 0.00 H new ATOM 0 HH21 ARG A 58 28.577 -11.811 10.338 1.00 0.00 H new ATOM 0 HH22 ARG A 58 28.670 -11.896 12.100 1.00 0.00 H new ATOM 987 N ASN A 59 30.531 -11.608 5.803 1.00 0.00 N ATOM 988 CA ASN A 59 29.059 -11.712 5.606 1.00 0.00 C ATOM 989 C ASN A 59 28.325 -11.165 6.879 1.00 0.00 C ATOM 990 O ASN A 59 28.621 -11.571 8.009 1.00 0.00 O ATOM 991 CB ASN A 59 28.647 -13.190 5.347 1.00 0.00 C ATOM 992 CG ASN A 59 29.249 -13.896 4.116 1.00 0.00 C ATOM 993 OD1 ASN A 59 30.456 -13.960 3.917 1.00 0.00 O ATOM 994 ND2 ASN A 59 28.451 -14.502 3.272 1.00 0.00 N ATOM 0 H ASN A 59 30.964 -12.476 6.117 1.00 0.00 H new ATOM 0 HA ASN A 59 28.773 -11.119 4.737 1.00 0.00 H new ATOM 0 HB2 ASN A 59 28.912 -13.772 6.230 1.00 0.00 H new ATOM 0 HB3 ASN A 59 27.561 -13.225 5.256 1.00 0.00 H new ATOM 0 HD21 ASN A 59 28.840 -15.009 2.477 1.00 0.00 H new ATOM 0 HD22 ASN A 59 27.441 -14.467 3.410 1.00 0.00 H new ATOM 1001 N TYR A 60 27.371 -10.243 6.692 1.00 0.00 N ATOM 1002 CA TYR A 60 26.576 -9.656 7.816 1.00 0.00 C ATOM 1003 C TYR A 60 25.213 -10.405 7.987 1.00 0.00 C ATOM 1004 O TYR A 60 25.001 -11.068 9.006 1.00 0.00 O ATOM 1005 CB TYR A 60 26.418 -8.120 7.605 1.00 0.00 C ATOM 1006 CG TYR A 60 27.696 -7.271 7.684 1.00 0.00 C ATOM 1007 CD1 TYR A 60 28.148 -6.795 8.917 1.00 0.00 C ATOM 1008 CD2 TYR A 60 28.403 -6.948 6.522 1.00 0.00 C ATOM 1009 CE1 TYR A 60 29.305 -6.021 8.989 1.00 0.00 C ATOM 1010 CE2 TYR A 60 29.566 -6.182 6.596 1.00 0.00 C ATOM 1011 CZ TYR A 60 30.016 -5.723 7.832 1.00 0.00 C ATOM 1012 OH TYR A 60 31.167 -4.986 7.922 1.00 0.00 O ATOM 0 H TYR A 60 27.119 -9.876 5.774 1.00 0.00 H new ATOM 0 HA TYR A 60 27.110 -9.795 8.756 1.00 0.00 H new ATOM 0 HB2 TYR A 60 25.963 -7.957 6.628 1.00 0.00 H new ATOM 0 HB3 TYR A 60 25.716 -7.746 8.350 1.00 0.00 H new ATOM 0 HD1 TYR A 60 27.599 -7.027 9.818 1.00 0.00 H new ATOM 0 HD2 TYR A 60 28.047 -7.293 5.563 1.00 0.00 H new ATOM 0 HE1 TYR A 60 29.649 -5.653 9.944 1.00 0.00 H new ATOM 0 HE2 TYR A 60 30.116 -5.945 5.697 1.00 0.00 H new ATOM 0 HH TYR A 60 31.548 -4.863 7.027 1.00 0.00 H new ATOM 1022 N ILE A 61 24.297 -10.292 7.002 1.00 0.00 N ATOM 1023 CA ILE A 61 23.041 -11.104 6.912 1.00 0.00 C ATOM 1024 C ILE A 61 21.993 -10.732 8.019 1.00 0.00 C ATOM 1025 O ILE A 61 21.980 -11.331 9.098 1.00 0.00 O ATOM 1026 CB ILE A 61 23.286 -12.645 6.659 1.00 0.00 C ATOM 1027 CG1 ILE A 61 24.187 -12.918 5.409 1.00 0.00 C ATOM 1028 CG2 ILE A 61 21.951 -13.431 6.525 1.00 0.00 C ATOM 1029 CD1 ILE A 61 24.612 -14.374 5.156 1.00 0.00 C ATOM 0 H ILE A 61 24.400 -9.630 6.233 1.00 0.00 H new ATOM 0 HA ILE A 61 22.545 -10.805 5.989 1.00 0.00 H new ATOM 0 HB ILE A 61 23.818 -13.004 7.540 1.00 0.00 H new ATOM 0 HG12 ILE A 61 23.657 -12.562 4.526 1.00 0.00 H new ATOM 0 HG13 ILE A 61 25.089 -12.314 5.504 1.00 0.00 H new ATOM 0 HG21 ILE A 61 22.165 -14.486 6.352 1.00 0.00 H new ATOM 0 HG22 ILE A 61 21.372 -13.324 7.442 1.00 0.00 H new ATOM 0 HG23 ILE A 61 21.378 -13.035 5.686 1.00 0.00 H new ATOM 0 HD11 ILE A 61 25.232 -14.422 4.261 1.00 0.00 H new ATOM 0 HD12 ILE A 61 25.180 -14.741 6.011 1.00 0.00 H new ATOM 0 HD13 ILE A 61 23.726 -14.993 5.017 1.00 0.00 H new ATOM 1041 N MET A 62 21.079 -9.785 7.727 1.00 0.00 N ATOM 1042 CA MET A 62 19.946 -9.453 8.632 1.00 0.00 C ATOM 1043 C MET A 62 18.704 -10.324 8.246 1.00 0.00 C ATOM 1044 O MET A 62 17.947 -9.999 7.325 1.00 0.00 O ATOM 1045 CB MET A 62 19.631 -7.934 8.589 1.00 0.00 C ATOM 1046 CG MET A 62 20.713 -6.974 9.131 1.00 0.00 C ATOM 1047 SD MET A 62 20.054 -5.304 9.333 1.00 0.00 S ATOM 1048 CE MET A 62 19.106 -5.472 10.864 1.00 0.00 C ATOM 0 H MET A 62 21.099 -9.232 6.870 1.00 0.00 H new ATOM 0 HA MET A 62 20.220 -9.685 9.661 1.00 0.00 H new ATOM 0 HB2 MET A 62 19.424 -7.661 7.554 1.00 0.00 H new ATOM 0 HB3 MET A 62 18.714 -7.763 9.153 1.00 0.00 H new ATOM 0 HG2 MET A 62 21.083 -7.341 10.088 1.00 0.00 H new ATOM 0 HG3 MET A 62 21.562 -6.954 8.447 1.00 0.00 H new ATOM 0 HE1 MET A 62 18.115 -5.039 10.728 1.00 0.00 H new ATOM 0 HE2 MET A 62 19.009 -6.528 11.118 1.00 0.00 H new ATOM 0 HE3 MET A 62 19.622 -4.951 11.670 1.00 0.00 H new ATOM 1058 N ASP A 63 18.519 -11.444 8.961 1.00 0.00 N ATOM 1059 CA ASP A 63 17.382 -12.383 8.754 1.00 0.00 C ATOM 1060 C ASP A 63 16.238 -12.076 9.776 1.00 0.00 C ATOM 1061 O ASP A 63 16.429 -12.263 10.983 1.00 0.00 O ATOM 1062 CB ASP A 63 17.999 -13.804 8.905 1.00 0.00 C ATOM 1063 CG ASP A 63 17.027 -14.976 8.776 1.00 0.00 C ATOM 1064 OD1 ASP A 63 16.312 -15.171 7.800 1.00 0.00 O ATOM 1065 OD2 ASP A 63 17.041 -15.784 9.872 1.00 0.00 O ATOM 0 H ASP A 63 19.152 -11.734 9.706 1.00 0.00 H new ATOM 0 HA ASP A 63 16.910 -12.288 7.776 1.00 0.00 H new ATOM 0 HB2 ASP A 63 18.779 -13.921 8.153 1.00 0.00 H new ATOM 0 HB3 ASP A 63 18.484 -13.866 9.879 1.00 0.00 H new ATOM 1071 N PHE A 64 15.060 -11.603 9.318 1.00 0.00 N ATOM 1072 CA PHE A 64 13.995 -11.106 10.247 1.00 0.00 C ATOM 1073 C PHE A 64 12.546 -11.205 9.669 1.00 0.00 C ATOM 1074 O PHE A 64 12.318 -11.150 8.458 1.00 0.00 O ATOM 1075 CB PHE A 64 14.322 -9.661 10.750 1.00 0.00 C ATOM 1076 CG PHE A 64 14.464 -8.555 9.684 1.00 0.00 C ATOM 1077 CD1 PHE A 64 13.336 -7.920 9.155 1.00 0.00 C ATOM 1078 CD2 PHE A 64 15.729 -8.233 9.185 1.00 0.00 C ATOM 1079 CE1 PHE A 64 13.474 -6.999 8.122 1.00 0.00 C ATOM 1080 CE2 PHE A 64 15.864 -7.312 8.150 1.00 0.00 C ATOM 1081 CZ PHE A 64 14.735 -6.697 7.618 1.00 0.00 C ATOM 0 H PHE A 64 14.814 -11.550 8.330 1.00 0.00 H new ATOM 0 HA PHE A 64 14.004 -11.782 11.102 1.00 0.00 H new ATOM 0 HB2 PHE A 64 13.538 -9.361 11.445 1.00 0.00 H new ATOM 0 HB3 PHE A 64 15.252 -9.704 11.317 1.00 0.00 H new ATOM 0 HD1 PHE A 64 12.356 -8.145 9.549 1.00 0.00 H new ATOM 0 HD2 PHE A 64 16.607 -8.701 9.605 1.00 0.00 H new ATOM 0 HE1 PHE A 64 12.600 -6.517 7.710 1.00 0.00 H new ATOM 0 HE2 PHE A 64 16.843 -7.075 7.761 1.00 0.00 H new ATOM 0 HZ PHE A 64 14.838 -5.984 6.813 1.00 0.00 H new ATOM 1091 N GLN A 65 11.549 -11.258 10.567 1.00 0.00 N ATOM 1092 CA GLN A 65 10.127 -10.995 10.214 1.00 0.00 C ATOM 1093 C GLN A 65 9.788 -9.482 10.420 1.00 0.00 C ATOM 1094 O GLN A 65 9.969 -8.928 11.509 1.00 0.00 O ATOM 1095 CB GLN A 65 9.201 -11.902 11.069 1.00 0.00 C ATOM 1096 CG GLN A 65 9.057 -13.377 10.605 1.00 0.00 C ATOM 1097 CD GLN A 65 10.200 -14.312 11.021 1.00 0.00 C ATOM 1098 OE1 GLN A 65 10.435 -14.571 12.197 1.00 0.00 O ATOM 1099 NE2 GLN A 65 10.932 -14.874 10.092 1.00 0.00 N ATOM 0 H GLN A 65 11.694 -11.481 11.552 1.00 0.00 H new ATOM 0 HA GLN A 65 9.964 -11.231 9.162 1.00 0.00 H new ATOM 0 HB2 GLN A 65 9.574 -11.901 12.093 1.00 0.00 H new ATOM 0 HB3 GLN A 65 8.208 -11.452 11.091 1.00 0.00 H new ATOM 0 HG2 GLN A 65 8.122 -13.775 11.000 1.00 0.00 H new ATOM 0 HG3 GLN A 65 8.975 -13.392 9.518 1.00 0.00 H new ATOM 0 HE21 GLN A 65 10.752 -14.671 9.109 1.00 0.00 H new ATOM 0 HE22 GLN A 65 11.682 -15.515 10.352 1.00 0.00 H new ATOM 1108 N VAL A 66 9.251 -8.830 9.374 1.00 0.00 N ATOM 1109 CA VAL A 66 8.766 -7.417 9.424 1.00 0.00 C ATOM 1110 C VAL A 66 7.503 -7.332 10.354 1.00 0.00 C ATOM 1111 O VAL A 66 6.470 -7.951 10.079 1.00 0.00 O ATOM 1112 CB VAL A 66 8.476 -6.889 7.973 1.00 0.00 C ATOM 1113 CG1 VAL A 66 8.077 -5.396 7.959 1.00 0.00 C ATOM 1114 CG2 VAL A 66 9.644 -7.011 6.964 1.00 0.00 C ATOM 0 H VAL A 66 9.135 -9.262 8.457 1.00 0.00 H new ATOM 0 HA VAL A 66 9.537 -6.773 9.847 1.00 0.00 H new ATOM 0 HB VAL A 66 7.665 -7.546 7.660 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.887 -5.080 6.933 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.175 -5.255 8.555 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.887 -4.799 8.379 1.00 0.00 H new ATOM 0 HG21 VAL A 66 9.332 -6.617 5.997 1.00 0.00 H new ATOM 0 HG22 VAL A 66 10.500 -6.443 7.328 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.923 -8.059 6.856 1.00 0.00 H new ATOM 1124 N GLY A 67 7.631 -6.617 11.481 1.00 0.00 N ATOM 1125 CA GLY A 67 6.719 -6.781 12.646 1.00 0.00 C ATOM 1126 C GLY A 67 7.396 -7.213 13.969 1.00 0.00 C ATOM 1127 O GLY A 67 7.091 -6.640 15.016 1.00 0.00 O ATOM 0 H GLY A 67 8.357 -5.914 11.620 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.201 -5.837 12.815 1.00 0.00 H new ATOM 0 HA3 GLY A 67 5.960 -7.520 12.389 1.00 0.00 H new ATOM 1131 N LYS A 68 8.265 -8.241 13.946 1.00 0.00 N ATOM 1132 CA LYS A 68 8.865 -8.825 15.180 1.00 0.00 C ATOM 1133 C LYS A 68 10.062 -7.991 15.748 1.00 0.00 C ATOM 1134 O LYS A 68 10.909 -7.482 15.005 1.00 0.00 O ATOM 1135 CB LYS A 68 9.306 -10.294 14.925 1.00 0.00 C ATOM 1136 CG LYS A 68 8.172 -11.296 14.597 1.00 0.00 C ATOM 1137 CD LYS A 68 8.635 -12.765 14.689 1.00 0.00 C ATOM 1138 CE LYS A 68 7.564 -13.745 14.186 1.00 0.00 C ATOM 1139 NZ LYS A 68 8.134 -15.101 14.077 1.00 0.00 N ATOM 0 H LYS A 68 8.574 -8.693 13.085 1.00 0.00 H new ATOM 0 HA LYS A 68 8.084 -8.800 15.940 1.00 0.00 H new ATOM 0 HB2 LYS A 68 10.019 -10.300 14.101 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.836 -10.652 15.808 1.00 0.00 H new ATOM 0 HG2 LYS A 68 7.341 -11.137 15.284 1.00 0.00 H new ATOM 0 HG3 LYS A 68 7.797 -11.099 13.593 1.00 0.00 H new ATOM 0 HD2 LYS A 68 9.546 -12.894 14.105 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.884 -13.001 15.724 1.00 0.00 H new ATOM 0 HE2 LYS A 68 6.715 -13.752 14.870 1.00 0.00 H new ATOM 0 HE3 LYS A 68 7.189 -13.420 13.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 7.413 -15.752 13.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 8.951 -15.083 13.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 8.440 -15.425 15.016 1.00 0.00 H new ATOM 1152 N GLU A 69 10.131 -7.891 17.088 1.00 0.00 N ATOM 1153 CA GLU A 69 11.184 -7.115 17.795 1.00 0.00 C ATOM 1154 C GLU A 69 12.304 -8.057 18.349 1.00 0.00 C ATOM 1155 O GLU A 69 12.125 -8.722 19.375 1.00 0.00 O ATOM 1156 CB GLU A 69 10.456 -6.252 18.856 1.00 0.00 C ATOM 1157 CG GLU A 69 11.342 -5.159 19.497 1.00 0.00 C ATOM 1158 CD GLU A 69 10.595 -4.066 20.262 1.00 0.00 C ATOM 1159 OE1 GLU A 69 9.400 -3.808 20.128 1.00 0.00 O ATOM 1160 OE2 GLU A 69 11.429 -3.349 21.058 1.00 0.00 O ATOM 0 H GLU A 69 9.465 -8.341 17.715 1.00 0.00 H new ATOM 0 HA GLU A 69 11.730 -6.446 17.130 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.591 -5.778 18.392 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.077 -6.905 19.642 1.00 0.00 H new ATOM 0 HG2 GLU A 69 12.044 -5.639 20.179 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.933 -4.688 18.711 1.00 0.00 H new ATOM 1168 N PHE A 70 13.445 -8.137 17.643 1.00 0.00 N ATOM 1169 CA PHE A 70 14.505 -9.160 17.900 1.00 0.00 C ATOM 1170 C PHE A 70 15.780 -8.588 18.605 1.00 0.00 C ATOM 1171 O PHE A 70 16.219 -7.476 18.308 1.00 0.00 O ATOM 1172 CB PHE A 70 14.817 -9.905 16.565 1.00 0.00 C ATOM 1173 CG PHE A 70 15.516 -9.135 15.419 1.00 0.00 C ATOM 1174 CD1 PHE A 70 14.767 -8.370 14.518 1.00 0.00 C ATOM 1175 CD2 PHE A 70 16.904 -9.225 15.252 1.00 0.00 C ATOM 1176 CE1 PHE A 70 15.398 -7.691 13.478 1.00 0.00 C ATOM 1177 CE2 PHE A 70 17.530 -8.559 14.200 1.00 0.00 C ATOM 1178 CZ PHE A 70 16.777 -7.791 13.316 1.00 0.00 C ATOM 0 H PHE A 70 13.670 -7.502 16.877 1.00 0.00 H new ATOM 0 HA PHE A 70 14.121 -9.878 18.624 1.00 0.00 H new ATOM 0 HB2 PHE A 70 15.437 -10.768 16.807 1.00 0.00 H new ATOM 0 HB3 PHE A 70 13.874 -10.290 16.175 1.00 0.00 H new ATOM 0 HD1 PHE A 70 13.695 -8.306 14.629 1.00 0.00 H new ATOM 0 HD2 PHE A 70 17.491 -9.813 15.942 1.00 0.00 H new ATOM 0 HE1 PHE A 70 14.817 -7.087 12.797 1.00 0.00 H new ATOM 0 HE2 PHE A 70 18.599 -8.639 14.070 1.00 0.00 H new ATOM 0 HZ PHE A 70 17.263 -7.272 12.503 1.00 0.00 H new ATOM 1188 N GLU A 71 16.425 -9.367 19.498 1.00 0.00 N ATOM 1189 CA GLU A 71 17.728 -8.973 20.120 1.00 0.00 C ATOM 1190 C GLU A 71 18.913 -9.091 19.106 1.00 0.00 C ATOM 1191 O GLU A 71 19.392 -10.192 18.810 1.00 0.00 O ATOM 1192 CB GLU A 71 17.999 -9.833 21.388 1.00 0.00 C ATOM 1193 CG GLU A 71 17.106 -9.507 22.610 1.00 0.00 C ATOM 1194 CD GLU A 71 17.434 -10.295 23.877 1.00 0.00 C ATOM 1195 OE1 GLU A 71 17.947 -9.791 24.871 1.00 0.00 O ATOM 1196 OE2 GLU A 71 17.080 -11.610 23.774 1.00 0.00 O ATOM 0 H GLU A 71 16.074 -10.272 19.811 1.00 0.00 H new ATOM 0 HA GLU A 71 17.656 -7.925 20.413 1.00 0.00 H new ATOM 0 HB2 GLU A 71 17.865 -10.884 21.130 1.00 0.00 H new ATOM 0 HB3 GLU A 71 19.042 -9.707 21.677 1.00 0.00 H new ATOM 0 HG2 GLU A 71 17.191 -8.443 22.830 1.00 0.00 H new ATOM 0 HG3 GLU A 71 16.066 -9.695 22.342 1.00 0.00 H new ATOM 1204 N GLU A 72 19.389 -7.953 18.572 1.00 0.00 N ATOM 1205 CA GLU A 72 20.372 -7.947 17.451 1.00 0.00 C ATOM 1206 C GLU A 72 21.873 -8.066 17.899 1.00 0.00 C ATOM 1207 O GLU A 72 22.683 -7.161 17.669 1.00 0.00 O ATOM 1208 CB GLU A 72 20.042 -6.692 16.595 1.00 0.00 C ATOM 1209 CG GLU A 72 20.779 -6.632 15.229 1.00 0.00 C ATOM 1210 CD GLU A 72 21.659 -5.407 15.010 1.00 0.00 C ATOM 1211 OE1 GLU A 72 21.389 -4.522 14.202 1.00 0.00 O ATOM 1212 OE2 GLU A 72 22.780 -5.426 15.793 1.00 0.00 O ATOM 0 H GLU A 72 19.116 -7.023 18.891 1.00 0.00 H new ATOM 0 HA GLU A 72 20.268 -8.849 16.848 1.00 0.00 H new ATOM 0 HB2 GLU A 72 18.967 -6.663 16.415 1.00 0.00 H new ATOM 0 HB3 GLU A 72 20.294 -5.800 17.169 1.00 0.00 H new ATOM 0 HG2 GLU A 72 21.398 -7.524 15.130 1.00 0.00 H new ATOM 0 HG3 GLU A 72 20.035 -6.670 14.433 1.00 0.00 H new ATOM 1363 N CYS A 82 20.212 -5.503 21.276 1.00 0.00 N ATOM 1364 CA CYS A 82 19.292 -4.354 21.106 1.00 0.00 C ATOM 1365 C CYS A 82 17.950 -4.801 20.458 1.00 0.00 C ATOM 1366 O CYS A 82 17.924 -5.439 19.397 1.00 0.00 O ATOM 1367 CB CYS A 82 20.028 -3.280 20.290 1.00 0.00 C ATOM 1368 SG CYS A 82 21.408 -2.622 21.282 1.00 0.00 S ATOM 0 HA CYS A 82 19.017 -3.932 22.072 1.00 0.00 H new ATOM 0 HB2 CYS A 82 20.403 -3.706 19.359 1.00 0.00 H new ATOM 0 HB3 CYS A 82 19.342 -2.477 20.020 1.00 0.00 H new ATOM 0 HG CYS A 82 22.075 -3.608 21.805 1.00 0.00 H new ATOM 1374 N MET A 83 16.835 -4.457 21.122 1.00 0.00 N ATOM 1375 CA MET A 83 15.474 -4.933 20.756 1.00 0.00 C ATOM 1376 C MET A 83 14.973 -4.229 19.458 1.00 0.00 C ATOM 1377 O MET A 83 14.609 -3.048 19.455 1.00 0.00 O ATOM 1378 CB MET A 83 14.526 -4.713 21.968 1.00 0.00 C ATOM 1379 CG MET A 83 14.745 -5.652 23.174 1.00 0.00 C ATOM 1380 SD MET A 83 14.633 -7.391 22.697 1.00 0.00 S ATOM 1381 CE MET A 83 12.856 -7.649 22.578 1.00 0.00 C ATOM 0 H MET A 83 16.843 -3.838 21.933 1.00 0.00 H new ATOM 0 HA MET A 83 15.493 -5.999 20.530 1.00 0.00 H new ATOM 0 HB2 MET A 83 14.636 -3.684 22.309 1.00 0.00 H new ATOM 0 HB3 MET A 83 13.497 -4.827 21.626 1.00 0.00 H new ATOM 0 HG2 MET A 83 15.723 -5.458 23.613 1.00 0.00 H new ATOM 0 HG3 MET A 83 14.002 -5.437 23.942 1.00 0.00 H new ATOM 0 HE1 MET A 83 12.620 -8.681 22.839 1.00 0.00 H new ATOM 0 HE2 MET A 83 12.344 -6.975 23.264 1.00 0.00 H new ATOM 0 HE3 MET A 83 12.527 -7.448 21.558 1.00 0.00 H new ATOM 1391 N THR A 84 15.058 -4.957 18.335 1.00 0.00 N ATOM 1392 CA THR A 84 15.077 -4.348 16.984 1.00 0.00 C ATOM 1393 C THR A 84 13.747 -4.635 16.239 1.00 0.00 C ATOM 1394 O THR A 84 13.514 -5.748 15.757 1.00 0.00 O ATOM 1395 CB THR A 84 16.333 -4.834 16.204 1.00 0.00 C ATOM 1396 OG1 THR A 84 17.522 -4.465 16.905 1.00 0.00 O ATOM 1397 CG2 THR A 84 16.431 -4.215 14.799 1.00 0.00 C ATOM 0 H THR A 84 15.115 -5.975 18.330 1.00 0.00 H new ATOM 0 HA THR A 84 15.152 -3.264 17.067 1.00 0.00 H new ATOM 0 HB THR A 84 16.234 -5.916 16.117 1.00 0.00 H new ATOM 0 HG1 THR A 84 17.566 -4.952 17.754 1.00 0.00 H new ATOM 0 HG21 THR A 84 17.325 -4.588 14.299 1.00 0.00 H new ATOM 0 HG22 THR A 84 15.550 -4.488 14.219 1.00 0.00 H new ATOM 0 HG23 THR A 84 16.488 -3.130 14.883 1.00 0.00 H new ATOM 1405 N THR A 85 12.911 -3.601 16.104 1.00 0.00 N ATOM 1406 CA THR A 85 11.667 -3.667 15.287 1.00 0.00 C ATOM 1407 C THR A 85 11.979 -3.168 13.845 1.00 0.00 C ATOM 1408 O THR A 85 12.493 -2.057 13.671 1.00 0.00 O ATOM 1409 CB THR A 85 10.571 -2.779 15.944 1.00 0.00 C ATOM 1410 OG1 THR A 85 10.334 -3.173 17.286 1.00 0.00 O ATOM 1411 CG2 THR A 85 9.192 -2.844 15.265 1.00 0.00 C ATOM 0 H THR A 85 13.064 -2.696 16.549 1.00 0.00 H new ATOM 0 HA THR A 85 11.304 -4.694 15.238 1.00 0.00 H new ATOM 0 HB THR A 85 10.977 -1.772 15.851 1.00 0.00 H new ATOM 0 HG1 THR A 85 9.643 -2.600 17.678 1.00 0.00 H new ATOM 0 HG21 THR A 85 8.495 -2.193 15.793 1.00 0.00 H new ATOM 0 HG22 THR A 85 9.281 -2.517 14.229 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.822 -3.869 15.291 1.00 0.00 H new ATOM 1419 N VAL A 86 11.607 -3.956 12.822 1.00 0.00 N ATOM 1420 CA VAL A 86 11.600 -3.484 11.405 1.00 0.00 C ATOM 1421 C VAL A 86 10.108 -3.427 10.941 1.00 0.00 C ATOM 1422 O VAL A 86 9.338 -4.370 11.159 1.00 0.00 O ATOM 1423 CB VAL A 86 12.510 -4.335 10.455 1.00 0.00 C ATOM 1424 CG1 VAL A 86 12.644 -3.664 9.066 1.00 0.00 C ATOM 1425 CG2 VAL A 86 13.948 -4.573 10.971 1.00 0.00 C ATOM 0 H VAL A 86 11.306 -4.924 12.938 1.00 0.00 H new ATOM 0 HA VAL A 86 12.045 -2.491 11.350 1.00 0.00 H new ATOM 0 HB VAL A 86 12.000 -5.297 10.405 1.00 0.00 H new ATOM 0 HG11 VAL A 86 13.281 -4.275 8.426 1.00 0.00 H new ATOM 0 HG12 VAL A 86 11.658 -3.568 8.611 1.00 0.00 H new ATOM 0 HG13 VAL A 86 13.088 -2.675 9.181 1.00 0.00 H new ATOM 0 HG21 VAL A 86 14.500 -5.171 10.246 1.00 0.00 H new ATOM 0 HG22 VAL A 86 14.449 -3.615 11.108 1.00 0.00 H new ATOM 0 HG23 VAL A 86 13.910 -5.102 11.924 1.00 0.00 H new ATOM 1435 N SER A 87 9.667 -2.309 10.340 1.00 0.00 N ATOM 1436 CA SER A 87 8.243 -2.108 9.937 1.00 0.00 C ATOM 1437 C SER A 87 8.090 -1.172 8.693 1.00 0.00 C ATOM 1438 O SER A 87 8.959 -0.352 8.380 1.00 0.00 O ATOM 1439 CB SER A 87 7.434 -1.639 11.173 1.00 0.00 C ATOM 1440 OG SER A 87 7.279 -2.725 12.089 1.00 0.00 O ATOM 0 H SER A 87 10.272 -1.519 10.116 1.00 0.00 H new ATOM 0 HA SER A 87 7.829 -3.058 9.600 1.00 0.00 H new ATOM 0 HB2 SER A 87 7.946 -0.810 11.661 1.00 0.00 H new ATOM 0 HB3 SER A 87 6.456 -1.271 10.861 1.00 0.00 H new ATOM 0 HG SER A 87 7.858 -3.468 11.817 1.00 0.00 H new ATOM 1446 N TRP A 88 6.973 -1.309 7.955 1.00 0.00 N ATOM 1447 CA TRP A 88 6.749 -0.559 6.686 1.00 0.00 C ATOM 1448 C TRP A 88 6.124 0.855 6.898 1.00 0.00 C ATOM 1449 O TRP A 88 4.994 0.992 7.374 1.00 0.00 O ATOM 1450 CB TRP A 88 5.833 -1.382 5.735 1.00 0.00 C ATOM 1451 CG TRP A 88 6.491 -2.569 5.029 1.00 0.00 C ATOM 1452 CD1 TRP A 88 6.110 -3.920 5.157 1.00 0.00 C ATOM 1453 CD2 TRP A 88 7.459 -2.542 4.041 1.00 0.00 C ATOM 1454 NE1 TRP A 88 6.836 -4.751 4.281 1.00 0.00 N ATOM 1455 CE2 TRP A 88 7.654 -3.873 3.591 1.00 0.00 C ATOM 1456 CE3 TRP A 88 8.133 -1.461 3.408 1.00 0.00 C ATOM 1457 CZ2 TRP A 88 8.499 -4.130 2.492 1.00 0.00 C ATOM 1458 CZ3 TRP A 88 8.988 -1.747 2.344 1.00 0.00 C ATOM 1459 CH2 TRP A 88 9.161 -3.061 1.890 1.00 0.00 C ATOM 0 H TRP A 88 6.205 -1.931 8.209 1.00 0.00 H new ATOM 0 HA TRP A 88 7.735 -0.411 6.245 1.00 0.00 H new ATOM 0 HB2 TRP A 88 4.985 -1.752 6.311 1.00 0.00 H new ATOM 0 HB3 TRP A 88 5.434 -0.709 4.976 1.00 0.00 H new ATOM 0 HD1 TRP A 88 5.354 -4.275 5.842 1.00 0.00 H new ATOM 0 HE1 TRP A 88 6.773 -5.764 4.179 1.00 0.00 H new ATOM 0 HE3 TRP A 88 7.986 -0.445 3.743 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 8.631 -5.137 2.123 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 9.525 -0.943 1.863 1.00 0.00 H new ATOM 0 HH2 TRP A 88 9.821 -3.250 1.056 1.00 0.00 H new ATOM 1470 N ASP A 89 6.821 1.893 6.414 1.00 0.00 N ATOM 1471 CA ASP A 89 6.204 3.205 6.076 1.00 0.00 C ATOM 1472 C ASP A 89 6.026 3.320 4.516 1.00 0.00 C ATOM 1473 O ASP A 89 6.693 4.125 3.856 1.00 0.00 O ATOM 1474 CB ASP A 89 7.135 4.258 6.741 1.00 0.00 C ATOM 1475 CG ASP A 89 6.693 5.713 6.610 1.00 0.00 C ATOM 1476 OD1 ASP A 89 5.572 6.118 6.900 1.00 0.00 O ATOM 1477 OD2 ASP A 89 7.690 6.517 6.145 1.00 0.00 O ATOM 0 H ASP A 89 7.826 1.858 6.243 1.00 0.00 H new ATOM 0 HA ASP A 89 5.192 3.352 6.454 1.00 0.00 H new ATOM 0 HB2 ASP A 89 7.224 4.019 7.801 1.00 0.00 H new ATOM 0 HB3 ASP A 89 8.130 4.160 6.308 1.00 0.00 H new ATOM 1483 N GLY A 90 5.137 2.488 3.923 1.00 0.00 N ATOM 1484 CA GLY A 90 4.931 2.421 2.447 1.00 0.00 C ATOM 1485 C GLY A 90 6.167 2.011 1.612 1.00 0.00 C ATOM 1486 O GLY A 90 6.563 0.845 1.604 1.00 0.00 O ATOM 0 H GLY A 90 4.543 1.845 4.447 1.00 0.00 H new ATOM 0 HA2 GLY A 90 4.128 1.713 2.243 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.591 3.397 2.102 1.00 0.00 H new ATOM 1490 N ASP A 91 6.793 2.993 0.950 1.00 0.00 N ATOM 1491 CA ASP A 91 8.128 2.809 0.301 1.00 0.00 C ATOM 1492 C ASP A 91 9.364 2.700 1.266 1.00 0.00 C ATOM 1493 O ASP A 91 10.361 2.079 0.888 1.00 0.00 O ATOM 1494 CB ASP A 91 8.348 3.934 -0.749 1.00 0.00 C ATOM 1495 CG ASP A 91 7.474 3.850 -2.002 1.00 0.00 C ATOM 1496 OD1 ASP A 91 7.810 3.272 -3.030 1.00 0.00 O ATOM 1497 OD2 ASP A 91 6.284 4.494 -1.853 1.00 0.00 O ATOM 0 H ASP A 91 6.407 3.931 0.841 1.00 0.00 H new ATOM 0 HA ASP A 91 8.083 1.827 -0.169 1.00 0.00 H new ATOM 0 HB2 ASP A 91 8.170 4.895 -0.267 1.00 0.00 H new ATOM 0 HB3 ASP A 91 9.394 3.920 -1.056 1.00 0.00 H new ATOM 1503 N LYS A 92 9.321 3.303 2.470 1.00 0.00 N ATOM 1504 CA LYS A 92 10.436 3.268 3.450 1.00 0.00 C ATOM 1505 C LYS A 92 10.294 2.062 4.426 1.00 0.00 C ATOM 1506 O LYS A 92 9.384 2.008 5.259 1.00 0.00 O ATOM 1507 CB LYS A 92 10.470 4.626 4.209 1.00 0.00 C ATOM 1508 CG LYS A 92 11.082 5.797 3.407 1.00 0.00 C ATOM 1509 CD LYS A 92 11.031 7.141 4.155 1.00 0.00 C ATOM 1510 CE LYS A 92 11.765 8.245 3.377 1.00 0.00 C ATOM 1511 NZ LYS A 92 11.764 9.501 4.151 1.00 0.00 N ATOM 0 H LYS A 92 8.511 3.831 2.796 1.00 0.00 H new ATOM 0 HA LYS A 92 11.382 3.127 2.926 1.00 0.00 H new ATOM 0 HB2 LYS A 92 9.453 4.892 4.496 1.00 0.00 H new ATOM 0 HB3 LYS A 92 11.038 4.498 5.130 1.00 0.00 H new ATOM 0 HG2 LYS A 92 12.119 5.561 3.168 1.00 0.00 H new ATOM 0 HG3 LYS A 92 10.551 5.896 2.460 1.00 0.00 H new ATOM 0 HD2 LYS A 92 9.992 7.433 4.311 1.00 0.00 H new ATOM 0 HD3 LYS A 92 11.482 7.028 5.141 1.00 0.00 H new ATOM 0 HE2 LYS A 92 12.790 7.936 3.173 1.00 0.00 H new ATOM 0 HE3 LYS A 92 11.282 8.403 2.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 12.263 10.240 3.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 10.783 9.801 4.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 12.245 9.349 5.060 1.00 0.00 H new ATOM 1524 N LEU A 93 11.243 1.117 4.366 1.00 0.00 N ATOM 1525 CA LEU A 93 11.406 0.065 5.401 1.00 0.00 C ATOM 1526 C LEU A 93 12.178 0.662 6.625 1.00 0.00 C ATOM 1527 O LEU A 93 13.357 1.023 6.525 1.00 0.00 O ATOM 1528 CB LEU A 93 12.114 -1.127 4.705 1.00 0.00 C ATOM 1529 CG LEU A 93 12.263 -2.430 5.530 1.00 0.00 C ATOM 1530 CD1 LEU A 93 10.913 -3.130 5.773 1.00 0.00 C ATOM 1531 CD2 LEU A 93 13.220 -3.390 4.804 1.00 0.00 C ATOM 0 H LEU A 93 11.920 1.053 3.606 1.00 0.00 H new ATOM 0 HA LEU A 93 10.462 -0.296 5.810 1.00 0.00 H new ATOM 0 HB2 LEU A 93 11.565 -1.363 3.794 1.00 0.00 H new ATOM 0 HB3 LEU A 93 13.109 -0.801 4.402 1.00 0.00 H new ATOM 0 HG LEU A 93 12.666 -2.156 6.505 1.00 0.00 H new ATOM 0 HD11 LEU A 93 11.073 -4.037 6.355 1.00 0.00 H new ATOM 0 HD12 LEU A 93 10.249 -2.460 6.320 1.00 0.00 H new ATOM 0 HD13 LEU A 93 10.460 -3.388 4.816 1.00 0.00 H new ATOM 0 HD21 LEU A 93 13.325 -4.307 5.384 1.00 0.00 H new ATOM 0 HD22 LEU A 93 12.819 -3.628 3.819 1.00 0.00 H new ATOM 0 HD23 LEU A 93 14.196 -2.917 4.694 1.00 0.00 H new ATOM 1543 N GLN A 94 11.470 0.827 7.752 1.00 0.00 N ATOM 1544 CA GLN A 94 11.975 1.557 8.944 1.00 0.00 C ATOM 1545 C GLN A 94 12.461 0.565 10.036 1.00 0.00 C ATOM 1546 O GLN A 94 11.697 -0.300 10.473 1.00 0.00 O ATOM 1547 CB GLN A 94 10.836 2.445 9.519 1.00 0.00 C ATOM 1548 CG GLN A 94 10.507 3.704 8.696 1.00 0.00 C ATOM 1549 CD GLN A 94 11.603 4.774 8.693 1.00 0.00 C ATOM 1550 OE1 GLN A 94 12.740 4.638 9.139 1.00 0.00 O ATOM 1551 NE2 GLN A 94 11.307 5.877 8.090 1.00 0.00 N ATOM 0 H GLN A 94 10.526 0.460 7.872 1.00 0.00 H new ATOM 0 HA GLN A 94 12.819 2.178 8.643 1.00 0.00 H new ATOM 0 HB2 GLN A 94 9.933 1.840 9.604 1.00 0.00 H new ATOM 0 HB3 GLN A 94 11.111 2.752 10.528 1.00 0.00 H new ATOM 0 HG2 GLN A 94 10.307 3.406 7.667 1.00 0.00 H new ATOM 0 HG3 GLN A 94 9.589 4.145 9.084 1.00 0.00 H new ATOM 0 HE21 GLN A 94 10.370 6.015 7.711 1.00 0.00 H new ATOM 0 HE22 GLN A 94 12.010 6.610 7.993 1.00 0.00 H new ATOM 1560 N CYS A 95 13.707 0.722 10.501 1.00 0.00 N ATOM 1561 CA CYS A 95 14.286 -0.101 11.590 1.00 0.00 C ATOM 1562 C CYS A 95 14.660 0.777 12.814 1.00 0.00 C ATOM 1563 O CYS A 95 15.389 1.766 12.677 1.00 0.00 O ATOM 1564 CB CYS A 95 15.522 -0.826 11.030 1.00 0.00 C ATOM 1565 SG CYS A 95 16.356 -1.815 12.320 1.00 0.00 S ATOM 0 H CYS A 95 14.351 1.424 10.136 1.00 0.00 H new ATOM 0 HA CYS A 95 13.553 -0.829 11.937 1.00 0.00 H new ATOM 0 HB2 CYS A 95 15.223 -1.476 10.208 1.00 0.00 H new ATOM 0 HB3 CYS A 95 16.220 -0.095 10.621 1.00 0.00 H new ATOM 0 HG CYS A 95 17.348 -2.469 11.792 1.00 0.00 H new ATOM 1571 N VAL A 96 14.201 0.382 14.013 1.00 0.00 N ATOM 1572 CA VAL A 96 14.609 1.028 15.297 1.00 0.00 C ATOM 1573 C VAL A 96 15.278 -0.042 16.225 1.00 0.00 C ATOM 1574 O VAL A 96 14.650 -1.035 16.600 1.00 0.00 O ATOM 1575 CB VAL A 96 13.417 1.825 15.933 1.00 0.00 C ATOM 1576 CG1 VAL A 96 12.192 0.990 16.374 1.00 0.00 C ATOM 1577 CG2 VAL A 96 13.863 2.714 17.115 1.00 0.00 C ATOM 0 H VAL A 96 13.541 -0.387 14.132 1.00 0.00 H new ATOM 0 HA VAL A 96 15.369 1.790 15.123 1.00 0.00 H new ATOM 0 HB VAL A 96 13.084 2.438 15.096 1.00 0.00 H new ATOM 0 HG11 VAL A 96 11.435 1.650 16.798 1.00 0.00 H new ATOM 0 HG12 VAL A 96 11.777 0.469 15.511 1.00 0.00 H new ATOM 0 HG13 VAL A 96 12.499 0.262 17.124 1.00 0.00 H new ATOM 0 HG21 VAL A 96 13.000 3.243 17.518 1.00 0.00 H new ATOM 0 HG22 VAL A 96 14.303 2.091 17.894 1.00 0.00 H new ATOM 0 HG23 VAL A 96 14.602 3.436 16.768 1.00 0.00 H new ATOM 1587 N GLN A 97 16.559 0.164 16.576 1.00 0.00 N ATOM 1588 CA GLN A 97 17.370 -0.803 17.371 1.00 0.00 C ATOM 1589 C GLN A 97 17.481 -0.296 18.846 1.00 0.00 C ATOM 1590 O GLN A 97 18.335 0.538 19.165 1.00 0.00 O ATOM 1591 CB GLN A 97 18.766 -0.914 16.693 1.00 0.00 C ATOM 1592 CG GLN A 97 18.846 -1.590 15.298 1.00 0.00 C ATOM 1593 CD GLN A 97 20.169 -1.370 14.551 1.00 0.00 C ATOM 1594 OE1 GLN A 97 21.261 -1.406 15.108 1.00 0.00 O ATOM 1595 NE2 GLN A 97 20.136 -1.147 13.260 1.00 0.00 N ATOM 0 H GLN A 97 17.073 1.007 16.320 1.00 0.00 H new ATOM 0 HA GLN A 97 16.906 -1.789 17.399 1.00 0.00 H new ATOM 0 HB2 GLN A 97 19.173 0.093 16.600 1.00 0.00 H new ATOM 0 HB3 GLN A 97 19.423 -1.463 17.368 1.00 0.00 H new ATOM 0 HG2 GLN A 97 18.687 -2.662 15.419 1.00 0.00 H new ATOM 0 HG3 GLN A 97 18.030 -1.215 14.681 1.00 0.00 H new ATOM 0 HE21 GLN A 97 19.241 -1.112 12.771 1.00 0.00 H new ATOM 0 HE22 GLN A 97 21.005 -1.009 12.744 1.00 0.00 H new ATOM 1604 N LYS A 98 16.610 -0.771 19.755 1.00 0.00 N ATOM 1605 CA LYS A 98 16.481 -0.173 21.118 1.00 0.00 C ATOM 1606 C LYS A 98 17.523 -0.760 22.127 1.00 0.00 C ATOM 1607 O LYS A 98 17.502 -1.960 22.425 1.00 0.00 O ATOM 1608 CB LYS A 98 15.057 -0.405 21.686 1.00 0.00 C ATOM 1609 CG LYS A 98 13.842 0.110 20.882 1.00 0.00 C ATOM 1610 CD LYS A 98 12.527 -0.301 21.578 1.00 0.00 C ATOM 1611 CE LYS A 98 11.307 -0.229 20.650 1.00 0.00 C ATOM 1612 NZ LYS A 98 10.126 -0.771 21.351 1.00 0.00 N ATOM 0 H LYS A 98 15.986 -1.559 19.583 1.00 0.00 H new ATOM 0 HA LYS A 98 16.673 0.894 21.004 1.00 0.00 H new ATOM 0 HB2 LYS A 98 14.929 -1.478 21.827 1.00 0.00 H new ATOM 0 HB3 LYS A 98 15.017 0.053 22.674 1.00 0.00 H new ATOM 0 HG2 LYS A 98 13.890 1.195 20.792 1.00 0.00 H new ATOM 0 HG3 LYS A 98 13.868 -0.295 19.870 1.00 0.00 H new ATOM 0 HD2 LYS A 98 12.627 -1.317 21.959 1.00 0.00 H new ATOM 0 HD3 LYS A 98 12.360 0.347 22.438 1.00 0.00 H new ATOM 0 HE2 LYS A 98 11.124 0.803 20.351 1.00 0.00 H new ATOM 0 HE3 LYS A 98 11.495 -0.797 19.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 9.277 -0.615 20.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 10.254 -1.791 21.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 10.014 -0.289 22.266 1.00 0.00 H new ATOM 1625 N GLY A 99 18.390 0.088 22.699 1.00 0.00 N ATOM 1626 CA GLY A 99 19.274 -0.338 23.815 1.00 0.00 C ATOM 1627 C GLY A 99 20.257 0.747 24.283 1.00 0.00 C ATOM 1628 O GLY A 99 19.875 1.638 25.043 1.00 0.00 O ATOM 0 H GLY A 99 18.504 1.062 22.418 1.00 0.00 H new ATOM 0 HA2 GLY A 99 18.655 -0.642 24.659 1.00 0.00 H new ATOM 0 HA3 GLY A 99 19.840 -1.216 23.502 1.00 0.00 H new ATOM 1632 N GLU A 100 21.526 0.647 23.862 1.00 0.00 N ATOM 1633 CA GLU A 100 22.611 1.552 24.347 1.00 0.00 C ATOM 1634 C GLU A 100 22.736 2.882 23.526 1.00 0.00 C ATOM 1635 O GLU A 100 22.607 3.973 24.095 1.00 0.00 O ATOM 1636 CB GLU A 100 23.917 0.708 24.425 1.00 0.00 C ATOM 1637 CG GLU A 100 25.067 1.365 25.232 1.00 0.00 C ATOM 1638 CD GLU A 100 26.403 0.639 25.098 1.00 0.00 C ATOM 1639 OE1 GLU A 100 27.363 1.096 24.487 1.00 0.00 O ATOM 1640 OE2 GLU A 100 26.407 -0.576 25.715 1.00 0.00 O ATOM 0 H GLU A 100 21.840 -0.049 23.185 1.00 0.00 H new ATOM 0 HA GLU A 100 22.371 1.926 25.342 1.00 0.00 H new ATOM 0 HB2 GLU A 100 23.683 -0.258 24.873 1.00 0.00 H new ATOM 0 HB3 GLU A 100 24.268 0.513 23.412 1.00 0.00 H new ATOM 0 HG2 GLU A 100 25.189 2.396 24.900 1.00 0.00 H new ATOM 0 HG3 GLU A 100 24.786 1.400 26.285 1.00 0.00 H new ATOM 1648 N LYS A 101 22.989 2.813 22.202 1.00 0.00 N ATOM 1649 CA LYS A 101 23.144 4.023 21.347 1.00 0.00 C ATOM 1650 C LYS A 101 21.758 4.684 21.058 1.00 0.00 C ATOM 1651 O LYS A 101 20.777 4.034 20.684 1.00 0.00 O ATOM 1652 CB LYS A 101 23.942 3.692 20.053 1.00 0.00 C ATOM 1653 CG LYS A 101 25.486 3.696 20.177 1.00 0.00 C ATOM 1654 CD LYS A 101 26.077 2.583 21.057 1.00 0.00 C ATOM 1655 CE LYS A 101 27.609 2.659 21.152 1.00 0.00 C ATOM 1656 NZ LYS A 101 28.155 1.422 21.743 1.00 0.00 N ATOM 0 H LYS A 101 23.091 1.934 21.695 1.00 0.00 H new ATOM 0 HA LYS A 101 23.732 4.763 21.891 1.00 0.00 H new ATOM 0 HB2 LYS A 101 23.630 2.709 19.701 1.00 0.00 H new ATOM 0 HB3 LYS A 101 23.659 4.410 19.284 1.00 0.00 H new ATOM 0 HG2 LYS A 101 25.914 3.613 19.178 1.00 0.00 H new ATOM 0 HG3 LYS A 101 25.799 4.659 20.579 1.00 0.00 H new ATOM 0 HD2 LYS A 101 25.650 2.650 22.058 1.00 0.00 H new ATOM 0 HD3 LYS A 101 25.789 1.613 20.652 1.00 0.00 H new ATOM 0 HE2 LYS A 101 28.033 2.812 20.160 1.00 0.00 H new ATOM 0 HE3 LYS A 101 27.899 3.517 21.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 29.192 1.485 21.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 27.778 1.301 22.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 27.880 0.607 21.158 1.00 0.00 H new ATOM 1669 N GLU A 102 21.688 5.997 21.290 1.00 0.00 N ATOM 1670 CA GLU A 102 20.398 6.706 21.540 1.00 0.00 C ATOM 1671 C GLU A 102 19.498 6.985 20.293 1.00 0.00 C ATOM 1672 O GLU A 102 18.278 6.841 20.391 1.00 0.00 O ATOM 1673 CB GLU A 102 20.708 7.979 22.376 1.00 0.00 C ATOM 1674 CG GLU A 102 21.327 7.752 23.787 1.00 0.00 C ATOM 1675 CD GLU A 102 20.412 7.037 24.786 1.00 0.00 C ATOM 1676 OE1 GLU A 102 19.505 7.611 25.382 1.00 0.00 O ATOM 1677 OE2 GLU A 102 20.705 5.706 24.930 1.00 0.00 O ATOM 0 H GLU A 102 22.505 6.607 21.313 1.00 0.00 H new ATOM 0 HA GLU A 102 19.760 6.022 22.099 1.00 0.00 H new ATOM 0 HB2 GLU A 102 21.390 8.606 21.802 1.00 0.00 H new ATOM 0 HB3 GLU A 102 19.782 8.542 22.496 1.00 0.00 H new ATOM 0 HG2 GLU A 102 22.243 7.172 23.677 1.00 0.00 H new ATOM 0 HG3 GLU A 102 21.610 8.719 24.203 1.00 0.00 H new ATOM 1685 N GLY A 103 20.076 7.332 19.130 1.00 0.00 N ATOM 1686 CA GLY A 103 19.360 7.238 17.827 1.00 0.00 C ATOM 1687 C GLY A 103 19.811 6.074 16.924 1.00 0.00 C ATOM 1688 O GLY A 103 20.194 6.319 15.782 1.00 0.00 O ATOM 0 H GLY A 103 21.032 7.680 19.056 1.00 0.00 H new ATOM 0 HA2 GLY A 103 18.292 7.136 18.022 1.00 0.00 H new ATOM 0 HA3 GLY A 103 19.497 8.174 17.285 1.00 0.00 H new ATOM 1692 N ARG A 104 19.759 4.826 17.418 1.00 0.00 N ATOM 1693 CA ARG A 104 20.223 3.629 16.667 1.00 0.00 C ATOM 1694 C ARG A 104 19.103 3.018 15.758 1.00 0.00 C ATOM 1695 O ARG A 104 18.033 2.625 16.235 1.00 0.00 O ATOM 1696 CB ARG A 104 20.805 2.638 17.707 1.00 0.00 C ATOM 1697 CG ARG A 104 21.646 1.477 17.123 1.00 0.00 C ATOM 1698 CD ARG A 104 21.977 0.419 18.192 1.00 0.00 C ATOM 1699 NE ARG A 104 22.476 -0.818 17.545 1.00 0.00 N ATOM 1700 CZ ARG A 104 23.255 -1.732 18.116 1.00 0.00 C ATOM 1701 NH1 ARG A 104 23.864 -1.579 19.273 1.00 0.00 N ATOM 1702 NH2 ARG A 104 23.432 -2.854 17.482 1.00 0.00 N ATOM 0 H ARG A 104 19.396 4.610 18.347 1.00 0.00 H new ATOM 0 HA ARG A 104 21.003 3.898 15.954 1.00 0.00 H new ATOM 0 HB2 ARG A 104 21.426 3.197 18.408 1.00 0.00 H new ATOM 0 HB3 ARG A 104 19.980 2.214 18.280 1.00 0.00 H new ATOM 0 HG2 ARG A 104 21.100 1.008 16.304 1.00 0.00 H new ATOM 0 HG3 ARG A 104 22.571 1.873 16.704 1.00 0.00 H new ATOM 0 HD2 ARG A 104 22.728 0.808 18.880 1.00 0.00 H new ATOM 0 HD3 ARG A 104 21.088 0.197 18.783 1.00 0.00 H new ATOM 0 HE ARG A 104 22.198 -0.982 16.578 1.00 0.00 H new ATOM 0 HH11 ARG A 104 23.753 -0.711 19.797 1.00 0.00 H new ATOM 0 HH12 ARG A 104 24.447 -2.329 19.646 1.00 0.00 H new ATOM 0 HH21 ARG A 104 22.980 -3.007 16.580 1.00 0.00 H new ATOM 0 HH22 ARG A 104 24.023 -3.581 17.887 1.00 0.00 H new ATOM 1716 N GLY A 105 19.367 2.925 14.445 1.00 0.00 N ATOM 1717 CA GLY A 105 18.388 2.374 13.472 1.00 0.00 C ATOM 1718 C GLY A 105 18.799 2.504 11.987 1.00 0.00 C ATOM 1719 O GLY A 105 19.946 2.817 11.654 1.00 0.00 O ATOM 0 H GLY A 105 20.248 3.222 14.025 1.00 0.00 H new ATOM 0 HA2 GLY A 105 18.228 1.320 13.698 1.00 0.00 H new ATOM 0 HA3 GLY A 105 17.433 2.879 13.615 1.00 0.00 H new ATOM 1723 N TRP A 106 17.840 2.268 11.078 1.00 0.00 N ATOM 1724 CA TRP A 106 18.023 2.545 9.619 1.00 0.00 C ATOM 1725 C TRP A 106 16.684 2.791 8.848 1.00 0.00 C ATOM 1726 O TRP A 106 15.611 2.322 9.236 1.00 0.00 O ATOM 1727 CB TRP A 106 18.977 1.535 8.897 1.00 0.00 C ATOM 1728 CG TRP A 106 18.670 0.033 8.930 1.00 0.00 C ATOM 1729 CD1 TRP A 106 19.375 -0.898 9.719 1.00 0.00 C ATOM 1730 CD2 TRP A 106 17.724 -0.706 8.239 1.00 0.00 C ATOM 1731 NE1 TRP A 106 18.878 -2.204 9.559 1.00 0.00 N ATOM 1732 CE2 TRP A 106 17.850 -2.061 8.645 1.00 0.00 C ATOM 1733 CE3 TRP A 106 16.704 -0.323 7.334 1.00 0.00 C ATOM 1734 CZ2 TRP A 106 16.939 -3.032 8.171 1.00 0.00 C ATOM 1735 CZ3 TRP A 106 15.808 -1.295 6.892 1.00 0.00 C ATOM 1736 CH2 TRP A 106 15.924 -2.630 7.301 1.00 0.00 C ATOM 0 H TRP A 106 16.924 1.886 11.314 1.00 0.00 H new ATOM 0 HA TRP A 106 18.547 3.500 9.589 1.00 0.00 H new ATOM 0 HB2 TRP A 106 19.031 1.832 7.850 1.00 0.00 H new ATOM 0 HB3 TRP A 106 19.973 1.672 9.319 1.00 0.00 H new ATOM 0 HD1 TRP A 106 20.198 -0.640 10.369 1.00 0.00 H new ATOM 0 HE1 TRP A 106 19.201 -3.059 10.012 1.00 0.00 H new ATOM 0 HE3 TRP A 106 16.622 0.699 6.994 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 17.026 -4.064 8.476 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 15.009 -1.014 6.222 1.00 0.00 H new ATOM 0 HH2 TRP A 106 15.216 -3.360 6.937 1.00 0.00 H new ATOM 1747 N THR A 107 16.768 3.509 7.716 1.00 0.00 N ATOM 1748 CA THR A 107 15.614 3.771 6.807 1.00 0.00 C ATOM 1749 C THR A 107 16.023 3.360 5.354 1.00 0.00 C ATOM 1750 O THR A 107 16.954 3.937 4.781 1.00 0.00 O ATOM 1751 CB THR A 107 15.218 5.277 6.903 1.00 0.00 C ATOM 1752 OG1 THR A 107 14.893 5.654 8.241 1.00 0.00 O ATOM 1753 CG2 THR A 107 14.012 5.656 6.036 1.00 0.00 C ATOM 0 H THR A 107 17.639 3.931 7.394 1.00 0.00 H new ATOM 0 HA THR A 107 14.743 3.183 7.095 1.00 0.00 H new ATOM 0 HB THR A 107 16.101 5.804 6.543 1.00 0.00 H new ATOM 0 HG1 THR A 107 13.932 5.532 8.391 1.00 0.00 H new ATOM 0 HG21 THR A 107 13.797 6.718 6.156 1.00 0.00 H new ATOM 0 HG22 THR A 107 14.236 5.447 4.990 1.00 0.00 H new ATOM 0 HG23 THR A 107 13.144 5.073 6.345 1.00 0.00 H new ATOM 1761 N GLN A 108 15.320 2.381 4.754 1.00 0.00 N ATOM 1762 CA GLN A 108 15.681 1.824 3.417 1.00 0.00 C ATOM 1763 C GLN A 108 14.504 1.957 2.398 1.00 0.00 C ATOM 1764 O GLN A 108 13.419 1.411 2.619 1.00 0.00 O ATOM 1765 CB GLN A 108 16.111 0.353 3.653 1.00 0.00 C ATOM 1766 CG GLN A 108 16.807 -0.332 2.454 1.00 0.00 C ATOM 1767 CD GLN A 108 17.147 -1.806 2.702 1.00 0.00 C ATOM 1768 OE1 GLN A 108 18.263 -2.172 3.046 1.00 0.00 O ATOM 1769 NE2 GLN A 108 16.207 -2.706 2.547 1.00 0.00 N ATOM 0 H GLN A 108 14.493 1.951 5.169 1.00 0.00 H new ATOM 0 HA GLN A 108 16.500 2.384 2.965 1.00 0.00 H new ATOM 0 HB2 GLN A 108 16.784 0.321 4.509 1.00 0.00 H new ATOM 0 HB3 GLN A 108 15.228 -0.228 3.920 1.00 0.00 H new ATOM 0 HG2 GLN A 108 16.161 -0.259 1.579 1.00 0.00 H new ATOM 0 HG3 GLN A 108 17.724 0.209 2.219 1.00 0.00 H new ATOM 0 HE21 GLN A 108 15.270 -2.421 2.261 1.00 0.00 H new ATOM 0 HE22 GLN A 108 16.412 -3.691 2.713 1.00 0.00 H new ATOM 1778 N TRP A 109 14.720 2.652 1.267 1.00 0.00 N ATOM 1779 CA TRP A 109 13.686 2.832 0.200 1.00 0.00 C ATOM 1780 C TRP A 109 14.243 2.594 -1.242 1.00 0.00 C ATOM 1781 O TRP A 109 15.457 2.572 -1.459 1.00 0.00 O ATOM 1782 CB TRP A 109 12.969 4.201 0.388 1.00 0.00 C ATOM 1783 CG TRP A 109 13.740 5.476 0.017 1.00 0.00 C ATOM 1784 CD1 TRP A 109 13.692 6.114 -1.239 1.00 0.00 C ATOM 1785 CD2 TRP A 109 14.606 6.229 0.786 1.00 0.00 C ATOM 1786 NE1 TRP A 109 14.509 7.260 -1.275 1.00 0.00 N ATOM 1787 CE2 TRP A 109 15.059 7.316 -0.006 1.00 0.00 C ATOM 1788 CE3 TRP A 109 15.089 6.054 2.108 1.00 0.00 C ATOM 1789 CZ2 TRP A 109 15.995 8.235 0.518 1.00 0.00 C ATOM 1790 CZ3 TRP A 109 16.009 6.978 2.607 1.00 0.00 C ATOM 1791 CH2 TRP A 109 16.454 8.052 1.823 1.00 0.00 C ATOM 0 H TRP A 109 15.608 3.108 1.055 1.00 0.00 H new ATOM 0 HA TRP A 109 12.933 2.052 0.313 1.00 0.00 H new ATOM 0 HB2 TRP A 109 12.053 4.182 -0.202 1.00 0.00 H new ATOM 0 HB3 TRP A 109 12.673 4.282 1.434 1.00 0.00 H new ATOM 0 HD1 TRP A 109 13.100 5.766 -2.073 1.00 0.00 H new ATOM 0 HE1 TRP A 109 14.660 7.900 -2.055 1.00 0.00 H new ATOM 0 HE3 TRP A 109 14.753 5.226 2.714 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 16.348 9.063 -0.079 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 16.384 6.864 3.613 1.00 0.00 H new ATOM 0 HH2 TRP A 109 17.166 8.751 2.237 1.00 0.00 H new ATOM 1802 N ILE A 110 13.353 2.440 -2.243 1.00 0.00 N ATOM 1803 CA ILE A 110 13.764 2.306 -3.678 1.00 0.00 C ATOM 1804 C ILE A 110 13.352 3.593 -4.471 1.00 0.00 C ATOM 1805 O ILE A 110 12.205 4.049 -4.427 1.00 0.00 O ATOM 1806 CB ILE A 110 13.259 0.959 -4.317 1.00 0.00 C ATOM 1807 CG1 ILE A 110 13.907 -0.278 -3.629 1.00 0.00 C ATOM 1808 CG2 ILE A 110 13.532 0.865 -5.847 1.00 0.00 C ATOM 1809 CD1 ILE A 110 13.270 -1.631 -3.966 1.00 0.00 C ATOM 0 H ILE A 110 12.344 2.404 -2.097 1.00 0.00 H new ATOM 0 HA ILE A 110 14.850 2.236 -3.736 1.00 0.00 H new ATOM 0 HB ILE A 110 12.181 0.958 -4.158 1.00 0.00 H new ATOM 0 HG12 ILE A 110 14.961 -0.314 -3.904 1.00 0.00 H new ATOM 0 HG13 ILE A 110 13.864 -0.135 -2.549 1.00 0.00 H new ATOM 0 HG21 ILE A 110 13.160 -0.087 -6.225 1.00 0.00 H new ATOM 0 HG22 ILE A 110 13.023 1.682 -6.358 1.00 0.00 H new ATOM 0 HG23 ILE A 110 14.604 0.934 -6.030 1.00 0.00 H new ATOM 0 HD11 ILE A 110 13.797 -2.424 -3.435 1.00 0.00 H new ATOM 0 HD12 ILE A 110 12.223 -1.626 -3.664 1.00 0.00 H new ATOM 0 HD13 ILE A 110 13.337 -1.807 -5.040 1.00 0.00 H new ATOM 1821 N GLU A 111 14.305 4.119 -5.257 1.00 0.00 N ATOM 1822 CA GLU A 111 14.054 5.177 -6.276 1.00 0.00 C ATOM 1823 C GLU A 111 14.323 4.584 -7.698 1.00 0.00 C ATOM 1824 O GLU A 111 15.459 4.582 -8.188 1.00 0.00 O ATOM 1825 CB GLU A 111 14.944 6.411 -5.955 1.00 0.00 C ATOM 1826 CG GLU A 111 14.515 7.234 -4.714 1.00 0.00 C ATOM 1827 CD GLU A 111 14.111 8.678 -4.987 1.00 0.00 C ATOM 1828 OE1 GLU A 111 14.826 9.646 -4.748 1.00 0.00 O ATOM 1829 OE2 GLU A 111 12.860 8.774 -5.517 1.00 0.00 O ATOM 0 H GLU A 111 15.281 3.827 -5.211 1.00 0.00 H new ATOM 0 HA GLU A 111 13.017 5.513 -6.254 1.00 0.00 H new ATOM 0 HB2 GLU A 111 15.969 6.070 -5.808 1.00 0.00 H new ATOM 0 HB3 GLU A 111 14.949 7.070 -6.823 1.00 0.00 H new ATOM 0 HG2 GLU A 111 13.678 6.726 -4.235 1.00 0.00 H new ATOM 0 HG3 GLU A 111 15.338 7.235 -3.999 1.00 0.00 H new ATOM 1837 N GLY A 112 13.275 4.044 -8.350 1.00 0.00 N ATOM 1838 CA GLY A 112 13.399 3.396 -9.687 1.00 0.00 C ATOM 1839 C GLY A 112 14.123 2.029 -9.679 1.00 0.00 C ATOM 1840 O GLY A 112 13.570 1.038 -9.199 1.00 0.00 O ATOM 0 H GLY A 112 12.326 4.040 -7.977 1.00 0.00 H new ATOM 0 HA2 GLY A 112 12.401 3.261 -10.104 1.00 0.00 H new ATOM 0 HA3 GLY A 112 13.934 4.071 -10.355 1.00 0.00 H new ATOM 1844 N ASP A 113 15.369 1.998 -10.176 1.00 0.00 N ATOM 1845 CA ASP A 113 16.305 0.850 -9.945 1.00 0.00 C ATOM 1846 C ASP A 113 17.493 1.146 -8.960 1.00 0.00 C ATOM 1847 O ASP A 113 18.583 0.580 -9.133 1.00 0.00 O ATOM 1848 CB ASP A 113 16.760 0.283 -11.323 1.00 0.00 C ATOM 1849 CG ASP A 113 17.642 1.173 -12.206 1.00 0.00 C ATOM 1850 OD1 ASP A 113 17.264 1.662 -13.266 1.00 0.00 O ATOM 1851 OD2 ASP A 113 18.887 1.350 -11.673 1.00 0.00 O ATOM 0 H ASP A 113 15.766 2.747 -10.742 1.00 0.00 H new ATOM 0 HA ASP A 113 15.752 0.080 -9.408 1.00 0.00 H new ATOM 0 HB2 ASP A 113 17.298 -0.647 -11.141 1.00 0.00 H new ATOM 0 HB3 ASP A 113 15.866 0.028 -11.892 1.00 0.00 H new ATOM 1857 N GLU A 114 17.298 2.000 -7.938 1.00 0.00 N ATOM 1858 CA GLU A 114 18.340 2.333 -6.934 1.00 0.00 C ATOM 1859 C GLU A 114 17.776 2.166 -5.493 1.00 0.00 C ATOM 1860 O GLU A 114 16.704 2.678 -5.166 1.00 0.00 O ATOM 1861 CB GLU A 114 18.870 3.775 -7.153 1.00 0.00 C ATOM 1862 CG GLU A 114 19.820 3.945 -8.362 1.00 0.00 C ATOM 1863 CD GLU A 114 20.354 5.366 -8.537 1.00 0.00 C ATOM 1864 OE1 GLU A 114 20.795 6.056 -7.621 1.00 0.00 O ATOM 1865 OE2 GLU A 114 20.301 5.780 -9.833 1.00 0.00 O ATOM 0 H GLU A 114 16.413 2.482 -7.780 1.00 0.00 H new ATOM 0 HA GLU A 114 19.174 1.643 -7.059 1.00 0.00 H new ATOM 0 HB2 GLU A 114 18.019 4.443 -7.282 1.00 0.00 H new ATOM 0 HB3 GLU A 114 19.393 4.095 -6.251 1.00 0.00 H new ATOM 0 HG2 GLU A 114 20.662 3.263 -8.248 1.00 0.00 H new ATOM 0 HG3 GLU A 114 19.293 3.652 -9.270 1.00 0.00 H new ATOM 1873 N LEU A 115 18.526 1.466 -4.630 1.00 0.00 N ATOM 1874 CA LEU A 115 18.179 1.293 -3.194 1.00 0.00 C ATOM 1875 C LEU A 115 18.934 2.362 -2.342 1.00 0.00 C ATOM 1876 O LEU A 115 20.166 2.454 -2.360 1.00 0.00 O ATOM 1877 CB LEU A 115 18.523 -0.174 -2.822 1.00 0.00 C ATOM 1878 CG LEU A 115 18.213 -0.644 -1.379 1.00 0.00 C ATOM 1879 CD1 LEU A 115 16.732 -1.034 -1.227 1.00 0.00 C ATOM 1880 CD2 LEU A 115 19.100 -1.844 -1.010 1.00 0.00 C ATOM 0 H LEU A 115 19.393 1.000 -4.898 1.00 0.00 H new ATOM 0 HA LEU A 115 17.121 1.456 -2.991 1.00 0.00 H new ATOM 0 HB2 LEU A 115 17.988 -0.828 -3.510 1.00 0.00 H new ATOM 0 HB3 LEU A 115 19.587 -0.325 -3.002 1.00 0.00 H new ATOM 0 HG LEU A 115 18.423 0.187 -0.705 1.00 0.00 H new ATOM 0 HD11 LEU A 115 16.545 -1.360 -0.204 1.00 0.00 H new ATOM 0 HD12 LEU A 115 16.104 -0.173 -1.454 1.00 0.00 H new ATOM 0 HD13 LEU A 115 16.497 -1.846 -1.915 1.00 0.00 H new ATOM 0 HD21 LEU A 115 18.873 -2.165 0.007 1.00 0.00 H new ATOM 0 HD22 LEU A 115 18.908 -2.665 -1.701 1.00 0.00 H new ATOM 0 HD23 LEU A 115 20.149 -1.554 -1.073 1.00 0.00 H new ATOM 1892 N HIS A 116 18.174 3.174 -1.602 1.00 0.00 N ATOM 1893 CA HIS A 116 18.711 4.315 -0.816 1.00 0.00 C ATOM 1894 C HIS A 116 18.569 3.990 0.701 1.00 0.00 C ATOM 1895 O HIS A 116 17.461 3.803 1.218 1.00 0.00 O ATOM 1896 CB HIS A 116 17.953 5.608 -1.217 1.00 0.00 C ATOM 1897 CG HIS A 116 18.351 6.230 -2.561 1.00 0.00 C ATOM 1898 ND1 HIS A 116 18.101 5.651 -3.801 1.00 0.00 N ATOM 1899 CD2 HIS A 116 19.021 7.456 -2.718 1.00 0.00 C ATOM 1900 CE1 HIS A 116 18.683 6.593 -4.608 1.00 0.00 C ATOM 1901 NE2 HIS A 116 19.249 7.711 -4.059 1.00 0.00 N ATOM 0 H HIS A 116 17.163 3.067 -1.523 1.00 0.00 H new ATOM 0 HA HIS A 116 19.769 4.476 -1.025 1.00 0.00 H new ATOM 0 HB2 HIS A 116 16.886 5.387 -1.243 1.00 0.00 H new ATOM 0 HB3 HIS A 116 18.105 6.352 -0.435 1.00 0.00 H new ATOM 0 HD2 HIS A 116 19.316 8.106 -1.908 1.00 0.00 H new ATOM 0 HE1 HIS A 116 18.695 6.453 -5.679 1.00 0.00 H new ATOM 0 HE2 HIS A 116 19.707 8.504 -4.508 1.00 0.00 H new ATOM 1909 N LEU A 117 19.713 3.902 1.395 1.00 0.00 N ATOM 1910 CA LEU A 117 19.790 3.440 2.806 1.00 0.00 C ATOM 1911 C LEU A 117 20.390 4.566 3.706 1.00 0.00 C ATOM 1912 O LEU A 117 21.550 4.960 3.544 1.00 0.00 O ATOM 1913 CB LEU A 117 20.638 2.133 2.810 1.00 0.00 C ATOM 1914 CG LEU A 117 20.881 1.469 4.193 1.00 0.00 C ATOM 1915 CD1 LEU A 117 19.610 0.847 4.791 1.00 0.00 C ATOM 1916 CD2 LEU A 117 21.975 0.395 4.094 1.00 0.00 C ATOM 0 H LEU A 117 20.620 4.148 0.999 1.00 0.00 H new ATOM 0 HA LEU A 117 18.806 3.223 3.221 1.00 0.00 H new ATOM 0 HB2 LEU A 117 20.147 1.406 2.164 1.00 0.00 H new ATOM 0 HB3 LEU A 117 21.607 2.354 2.362 1.00 0.00 H new ATOM 0 HG LEU A 117 21.202 2.268 4.861 1.00 0.00 H new ATOM 0 HD11 LEU A 117 19.844 0.399 5.757 1.00 0.00 H new ATOM 0 HD12 LEU A 117 18.854 1.621 4.924 1.00 0.00 H new ATOM 0 HD13 LEU A 117 19.229 0.079 4.118 1.00 0.00 H new ATOM 0 HD21 LEU A 117 22.130 -0.058 5.073 1.00 0.00 H new ATOM 0 HD22 LEU A 117 21.668 -0.373 3.384 1.00 0.00 H new ATOM 0 HD23 LEU A 117 22.904 0.852 3.755 1.00 0.00 H new ATOM 1928 N GLU A 118 19.615 5.042 4.694 1.00 0.00 N ATOM 1929 CA GLU A 118 20.119 5.976 5.739 1.00 0.00 C ATOM 1930 C GLU A 118 20.273 5.215 7.090 1.00 0.00 C ATOM 1931 O GLU A 118 19.271 4.883 7.729 1.00 0.00 O ATOM 1932 CB GLU A 118 19.172 7.198 5.878 1.00 0.00 C ATOM 1933 CG GLU A 118 19.143 8.149 4.659 1.00 0.00 C ATOM 1934 CD GLU A 118 18.371 9.437 4.928 1.00 0.00 C ATOM 1935 OE1 GLU A 118 17.167 9.568 4.735 1.00 0.00 O ATOM 1936 OE2 GLU A 118 19.170 10.425 5.417 1.00 0.00 O ATOM 0 H GLU A 118 18.630 4.799 4.799 1.00 0.00 H new ATOM 0 HA GLU A 118 21.098 6.354 5.445 1.00 0.00 H new ATOM 0 HB2 GLU A 118 18.160 6.835 6.060 1.00 0.00 H new ATOM 0 HB3 GLU A 118 19.469 7.769 6.758 1.00 0.00 H new ATOM 0 HG2 GLU A 118 20.165 8.397 4.374 1.00 0.00 H new ATOM 0 HG3 GLU A 118 18.693 7.632 3.812 1.00 0.00 H new ATOM 1944 N MET A 119 21.514 4.940 7.524 1.00 0.00 N ATOM 1945 CA MET A 119 21.788 4.217 8.801 1.00 0.00 C ATOM 1946 C MET A 119 22.161 5.214 9.941 1.00 0.00 C ATOM 1947 O MET A 119 23.029 6.071 9.764 1.00 0.00 O ATOM 1948 CB MET A 119 22.905 3.159 8.611 1.00 0.00 C ATOM 1949 CG MET A 119 22.664 2.053 7.565 1.00 0.00 C ATOM 1950 SD MET A 119 23.914 0.760 7.709 1.00 0.00 S ATOM 1951 CE MET A 119 25.314 1.587 6.939 1.00 0.00 C ATOM 0 H MET A 119 22.356 5.205 7.013 1.00 0.00 H new ATOM 0 HA MET A 119 20.875 3.698 9.092 1.00 0.00 H new ATOM 0 HB2 MET A 119 23.823 3.682 8.342 1.00 0.00 H new ATOM 0 HB3 MET A 119 23.082 2.679 9.574 1.00 0.00 H new ATOM 0 HG2 MET A 119 21.672 1.624 7.703 1.00 0.00 H new ATOM 0 HG3 MET A 119 22.689 2.481 6.563 1.00 0.00 H new ATOM 0 HE1 MET A 119 26.085 0.854 6.703 1.00 0.00 H new ATOM 0 HE2 MET A 119 24.987 2.078 6.022 1.00 0.00 H new ATOM 0 HE3 MET A 119 25.719 2.331 7.625 1.00 0.00 H new ATOM 1961 N ARG A 120 21.513 5.102 11.111 1.00 0.00 N ATOM 1962 CA ARG A 120 21.647 6.087 12.223 1.00 0.00 C ATOM 1963 C ARG A 120 22.250 5.451 13.516 1.00 0.00 C ATOM 1964 O ARG A 120 21.908 4.323 13.884 1.00 0.00 O ATOM 1965 CB ARG A 120 20.236 6.659 12.527 1.00 0.00 C ATOM 1966 CG ARG A 120 19.668 7.642 11.477 1.00 0.00 C ATOM 1967 CD ARG A 120 18.229 8.134 11.752 1.00 0.00 C ATOM 1968 NE ARG A 120 18.049 8.812 13.069 1.00 0.00 N ATOM 1969 CZ ARG A 120 18.380 10.072 13.348 1.00 0.00 C ATOM 1970 NH1 ARG A 120 18.939 10.903 12.495 1.00 0.00 N ATOM 1971 NH2 ARG A 120 18.134 10.509 14.553 1.00 0.00 N ATOM 0 H ARG A 120 20.880 4.331 11.324 1.00 0.00 H new ATOM 0 HA ARG A 120 22.335 6.872 11.911 1.00 0.00 H new ATOM 0 HB2 ARG A 120 19.541 5.826 12.630 1.00 0.00 H new ATOM 0 HB3 ARG A 120 20.270 7.166 13.491 1.00 0.00 H new ATOM 0 HG2 ARG A 120 20.327 8.508 11.419 1.00 0.00 H new ATOM 0 HG3 ARG A 120 19.690 7.159 10.500 1.00 0.00 H new ATOM 0 HD2 ARG A 120 17.936 8.823 10.960 1.00 0.00 H new ATOM 0 HD3 ARG A 120 17.551 7.282 11.700 1.00 0.00 H new ATOM 0 HE ARG A 120 17.636 8.262 13.822 1.00 0.00 H new ATOM 0 HH11 ARG A 120 19.148 10.595 11.545 1.00 0.00 H new ATOM 0 HH12 ARG A 120 19.164 11.855 12.783 1.00 0.00 H new ATOM 0 HH21 ARG A 120 17.703 9.892 15.241 1.00 0.00 H new ATOM 0 HH22 ARG A 120 18.373 11.468 14.806 1.00 0.00 H new ATOM 1985 N ALA A 121 23.110 6.202 14.231 1.00 0.00 N ATOM 1986 CA ALA A 121 23.513 5.874 15.628 1.00 0.00 C ATOM 1987 C ALA A 121 23.876 7.154 16.424 1.00 0.00 C ATOM 1988 O ALA A 121 24.600 8.018 15.922 1.00 0.00 O ATOM 1989 CB ALA A 121 24.692 4.896 15.646 1.00 0.00 C ATOM 0 H ALA A 121 23.547 7.049 13.867 1.00 0.00 H new ATOM 0 HA ALA A 121 22.658 5.399 16.109 1.00 0.00 H new ATOM 0 HB1 ALA A 121 24.965 4.674 16.678 1.00 0.00 H new ATOM 0 HB2 ALA A 121 24.407 3.974 15.140 1.00 0.00 H new ATOM 0 HB3 ALA A 121 25.544 5.343 15.133 1.00 0.00 H new ATOM 1995 N GLU A 122 23.369 7.304 17.667 1.00 0.00 N ATOM 1996 CA GLU A 122 23.544 8.566 18.475 1.00 0.00 C ATOM 1997 C GLU A 122 22.972 9.897 17.834 1.00 0.00 C ATOM 1998 O GLU A 122 23.411 10.995 18.188 1.00 0.00 O ATOM 1999 CB GLU A 122 25.035 8.733 18.930 1.00 0.00 C ATOM 2000 CG GLU A 122 25.727 7.542 19.647 1.00 0.00 C ATOM 2001 CD GLU A 122 25.338 7.326 21.113 1.00 0.00 C ATOM 2002 OE1 GLU A 122 24.185 7.393 21.533 1.00 0.00 O ATOM 2003 OE2 GLU A 122 26.415 6.999 21.887 1.00 0.00 O ATOM 0 H GLU A 122 22.835 6.579 18.146 1.00 0.00 H new ATOM 0 HA GLU A 122 22.908 8.418 19.348 1.00 0.00 H new ATOM 0 HB2 GLU A 122 25.626 8.978 18.047 1.00 0.00 H new ATOM 0 HB3 GLU A 122 25.084 9.595 19.595 1.00 0.00 H new ATOM 0 HG2 GLU A 122 25.503 6.630 19.094 1.00 0.00 H new ATOM 0 HG3 GLU A 122 26.806 7.689 19.595 1.00 0.00 H new ATOM 2011 N GLY A 123 22.026 9.816 16.875 1.00 0.00 N ATOM 2012 CA GLY A 123 21.750 10.934 15.923 1.00 0.00 C ATOM 2013 C GLY A 123 22.582 11.031 14.610 1.00 0.00 C ATOM 2014 O GLY A 123 22.164 11.729 13.683 1.00 0.00 O ATOM 0 H GLY A 123 21.438 8.995 16.732 1.00 0.00 H new ATOM 0 HA2 GLY A 123 20.698 10.875 15.642 1.00 0.00 H new ATOM 0 HA3 GLY A 123 21.883 11.869 16.467 1.00 0.00 H new ATOM 2018 N VAL A 124 23.750 10.374 14.517 1.00 0.00 N ATOM 2019 CA VAL A 124 24.688 10.487 13.362 1.00 0.00 C ATOM 2020 C VAL A 124 24.209 9.564 12.197 1.00 0.00 C ATOM 2021 O VAL A 124 24.120 8.343 12.358 1.00 0.00 O ATOM 2022 CB VAL A 124 26.145 10.127 13.818 1.00 0.00 C ATOM 2023 CG1 VAL A 124 27.168 10.166 12.665 1.00 0.00 C ATOM 2024 CG2 VAL A 124 26.702 11.017 14.957 1.00 0.00 C ATOM 0 H VAL A 124 24.083 9.740 15.243 1.00 0.00 H new ATOM 0 HA VAL A 124 24.695 11.514 12.997 1.00 0.00 H new ATOM 0 HB VAL A 124 26.029 9.109 14.190 1.00 0.00 H new ATOM 0 HG11 VAL A 124 28.156 9.908 13.046 1.00 0.00 H new ATOM 0 HG12 VAL A 124 26.877 9.450 11.896 1.00 0.00 H new ATOM 0 HG13 VAL A 124 27.195 11.168 12.236 1.00 0.00 H new ATOM 0 HG21 VAL A 124 27.713 10.697 15.208 1.00 0.00 H new ATOM 0 HG22 VAL A 124 26.721 12.057 14.630 1.00 0.00 H new ATOM 0 HG23 VAL A 124 26.064 10.925 15.836 1.00 0.00 H new ATOM 2034 N THR A 125 23.948 10.158 11.021 1.00 0.00 N ATOM 2035 CA THR A 125 23.422 9.416 9.837 1.00 0.00 C ATOM 2036 C THR A 125 24.549 9.116 8.790 1.00 0.00 C ATOM 2037 O THR A 125 25.225 10.027 8.297 1.00 0.00 O ATOM 2038 CB THR A 125 22.220 10.197 9.222 1.00 0.00 C ATOM 2039 OG1 THR A 125 21.260 10.520 10.225 1.00 0.00 O ATOM 2040 CG2 THR A 125 21.445 9.404 8.156 1.00 0.00 C ATOM 0 H THR A 125 24.090 11.154 10.853 1.00 0.00 H new ATOM 0 HA THR A 125 23.058 8.441 10.163 1.00 0.00 H new ATOM 0 HB THR A 125 22.674 11.079 8.770 1.00 0.00 H new ATOM 0 HG1 THR A 125 20.515 11.011 9.819 1.00 0.00 H new ATOM 0 HG21 THR A 125 20.625 10.012 7.775 1.00 0.00 H new ATOM 0 HG22 THR A 125 22.115 9.145 7.337 1.00 0.00 H new ATOM 0 HG23 THR A 125 21.045 8.492 8.600 1.00 0.00 H new ATOM 2048 N CYS A 126 24.700 7.835 8.417 1.00 0.00 N ATOM 2049 CA CYS A 126 25.439 7.408 7.201 1.00 0.00 C ATOM 2050 C CYS A 126 24.464 7.193 6.004 1.00 0.00 C ATOM 2051 O CYS A 126 23.506 6.418 6.093 1.00 0.00 O ATOM 2052 CB CYS A 126 26.189 6.111 7.560 1.00 0.00 C ATOM 2053 SG CYS A 126 26.817 5.257 6.076 1.00 0.00 S ATOM 0 H CYS A 126 24.313 7.056 8.949 1.00 0.00 H new ATOM 0 HA CYS A 126 26.145 8.176 6.886 1.00 0.00 H new ATOM 0 HB2 CYS A 126 27.021 6.345 8.224 1.00 0.00 H new ATOM 0 HB3 CYS A 126 25.522 5.445 8.107 1.00 0.00 H new ATOM 0 HG CYS A 126 27.666 4.339 6.431 1.00 0.00 H new ATOM 2059 N LYS A 127 24.733 7.861 4.873 1.00 0.00 N ATOM 2060 CA LYS A 127 23.863 7.801 3.666 1.00 0.00 C ATOM 2061 C LYS A 127 24.538 6.915 2.570 1.00 0.00 C ATOM 2062 O LYS A 127 25.590 7.268 2.026 1.00 0.00 O ATOM 2063 CB LYS A 127 23.577 9.242 3.157 1.00 0.00 C ATOM 2064 CG LYS A 127 22.836 10.188 4.138 1.00 0.00 C ATOM 2065 CD LYS A 127 22.503 11.572 3.546 1.00 0.00 C ATOM 2066 CE LYS A 127 21.339 11.557 2.540 1.00 0.00 C ATOM 2067 NZ LYS A 127 21.114 12.914 2.012 1.00 0.00 N ATOM 0 H LYS A 127 25.552 8.458 4.759 1.00 0.00 H new ATOM 0 HA LYS A 127 22.907 7.341 3.917 1.00 0.00 H new ATOM 0 HB2 LYS A 127 24.527 9.704 2.889 1.00 0.00 H new ATOM 0 HB3 LYS A 127 22.989 9.170 2.242 1.00 0.00 H new ATOM 0 HG2 LYS A 127 21.911 9.709 4.458 1.00 0.00 H new ATOM 0 HG3 LYS A 127 23.450 10.324 5.029 1.00 0.00 H new ATOM 0 HD2 LYS A 127 22.258 12.255 4.360 1.00 0.00 H new ATOM 0 HD3 LYS A 127 23.391 11.969 3.053 1.00 0.00 H new ATOM 0 HE2 LYS A 127 21.563 10.872 1.722 1.00 0.00 H new ATOM 0 HE3 LYS A 127 20.433 11.191 3.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 20.326 12.896 1.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 20.881 13.557 2.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 21.975 13.248 1.534 1.00 0.00 H new ATOM 2080 N GLN A 128 23.939 5.755 2.254 1.00 0.00 N ATOM 2081 CA GLN A 128 24.467 4.808 1.230 1.00 0.00 C ATOM 2082 C GLN A 128 23.509 4.693 0.004 1.00 0.00 C ATOM 2083 O GLN A 128 22.287 4.571 0.155 1.00 0.00 O ATOM 2084 CB GLN A 128 24.697 3.422 1.891 1.00 0.00 C ATOM 2085 CG GLN A 128 25.939 3.347 2.812 1.00 0.00 C ATOM 2086 CD GLN A 128 26.227 1.980 3.441 1.00 0.00 C ATOM 2087 OE1 GLN A 128 25.503 0.999 3.313 1.00 0.00 O ATOM 2088 NE2 GLN A 128 27.327 1.865 4.142 1.00 0.00 N ATOM 0 H GLN A 128 23.075 5.438 2.695 1.00 0.00 H new ATOM 0 HA GLN A 128 25.415 5.191 0.852 1.00 0.00 H new ATOM 0 HB2 GLN A 128 23.813 3.160 2.473 1.00 0.00 H new ATOM 0 HB3 GLN A 128 24.796 2.672 1.107 1.00 0.00 H new ATOM 0 HG2 GLN A 128 26.813 3.651 2.236 1.00 0.00 H new ATOM 0 HG3 GLN A 128 25.817 4.075 3.614 1.00 0.00 H new ATOM 0 HE21 GLN A 128 27.943 2.669 4.260 1.00 0.00 H new ATOM 0 HE22 GLN A 128 27.568 0.971 4.570 1.00 0.00 H new ATOM 2097 N VAL A 129 24.082 4.700 -1.215 1.00 0.00 N ATOM 2098 CA VAL A 129 23.301 4.556 -2.483 1.00 0.00 C ATOM 2099 C VAL A 129 23.761 3.242 -3.191 1.00 0.00 C ATOM 2100 O VAL A 129 24.954 2.997 -3.401 1.00 0.00 O ATOM 2101 CB VAL A 129 23.418 5.816 -3.410 1.00 0.00 C ATOM 2102 CG1 VAL A 129 22.613 5.679 -4.727 1.00 0.00 C ATOM 2103 CG2 VAL A 129 22.925 7.116 -2.736 1.00 0.00 C ATOM 0 H VAL A 129 25.086 4.804 -1.360 1.00 0.00 H new ATOM 0 HA VAL A 129 22.239 4.487 -2.248 1.00 0.00 H new ATOM 0 HB VAL A 129 24.486 5.875 -3.617 1.00 0.00 H new ATOM 0 HG11 VAL A 129 22.735 6.583 -5.324 1.00 0.00 H new ATOM 0 HG12 VAL A 129 22.979 4.820 -5.290 1.00 0.00 H new ATOM 0 HG13 VAL A 129 21.557 5.537 -4.495 1.00 0.00 H new ATOM 0 HG21 VAL A 129 23.033 7.949 -3.430 1.00 0.00 H new ATOM 0 HG22 VAL A 129 21.876 7.007 -2.460 1.00 0.00 H new ATOM 0 HG23 VAL A 129 23.518 7.310 -1.842 1.00 0.00 H new ATOM 2113 N PHE A 130 22.778 2.424 -3.579 1.00 0.00 N ATOM 2114 CA PHE A 130 22.987 1.116 -4.253 1.00 0.00 C ATOM 2115 C PHE A 130 22.206 1.061 -5.608 1.00 0.00 C ATOM 2116 O PHE A 130 21.133 1.652 -5.733 1.00 0.00 O ATOM 2117 CB PHE A 130 22.484 0.010 -3.278 1.00 0.00 C ATOM 2118 CG PHE A 130 23.476 -0.483 -2.216 1.00 0.00 C ATOM 2119 CD1 PHE A 130 23.774 0.288 -1.087 1.00 0.00 C ATOM 2120 CD2 PHE A 130 24.050 -1.748 -2.353 1.00 0.00 C ATOM 2121 CE1 PHE A 130 24.642 -0.203 -0.113 1.00 0.00 C ATOM 2122 CE2 PHE A 130 24.929 -2.232 -1.389 1.00 0.00 C ATOM 2123 CZ PHE A 130 25.220 -1.462 -0.267 1.00 0.00 C ATOM 0 H PHE A 130 21.793 2.646 -3.436 1.00 0.00 H new ATOM 0 HA PHE A 130 24.041 0.968 -4.487 1.00 0.00 H new ATOM 0 HB2 PHE A 130 21.598 0.386 -2.766 1.00 0.00 H new ATOM 0 HB3 PHE A 130 22.169 -0.848 -3.872 1.00 0.00 H new ATOM 0 HD1 PHE A 130 23.330 1.266 -0.970 1.00 0.00 H new ATOM 0 HD2 PHE A 130 23.810 -2.355 -3.213 1.00 0.00 H new ATOM 0 HE1 PHE A 130 24.866 0.392 0.760 1.00 0.00 H new ATOM 0 HE2 PHE A 130 25.385 -3.204 -1.511 1.00 0.00 H new ATOM 0 HZ PHE A 130 25.895 -1.841 0.486 1.00 0.00 H new ATOM 2133 N LYS A 131 22.705 0.311 -6.607 1.00 0.00 N ATOM 2134 CA LYS A 131 21.999 0.096 -7.910 1.00 0.00 C ATOM 2135 C LYS A 131 21.691 -1.415 -8.176 1.00 0.00 C ATOM 2136 O LYS A 131 22.506 -2.296 -7.878 1.00 0.00 O ATOM 2137 CB LYS A 131 22.847 0.769 -9.020 1.00 0.00 C ATOM 2138 CG LYS A 131 22.222 0.740 -10.439 1.00 0.00 C ATOM 2139 CD LYS A 131 22.846 1.739 -11.434 1.00 0.00 C ATOM 2140 CE LYS A 131 22.206 3.136 -11.359 1.00 0.00 C ATOM 2141 NZ LYS A 131 22.910 4.074 -12.251 1.00 0.00 N ATOM 0 H LYS A 131 23.604 -0.167 -6.547 1.00 0.00 H new ATOM 0 HA LYS A 131 21.014 0.561 -7.891 1.00 0.00 H new ATOM 0 HB2 LYS A 131 23.024 1.807 -8.740 1.00 0.00 H new ATOM 0 HB3 LYS A 131 23.820 0.279 -9.059 1.00 0.00 H new ATOM 0 HG2 LYS A 131 22.320 -0.267 -10.845 1.00 0.00 H new ATOM 0 HG3 LYS A 131 21.155 0.948 -10.356 1.00 0.00 H new ATOM 0 HD2 LYS A 131 23.914 1.823 -11.235 1.00 0.00 H new ATOM 0 HD3 LYS A 131 22.740 1.350 -12.447 1.00 0.00 H new ATOM 0 HE2 LYS A 131 21.155 3.077 -11.641 1.00 0.00 H new ATOM 0 HE3 LYS A 131 22.241 3.504 -10.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 22.466 5.012 -12.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 23.907 4.143 -11.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 22.855 3.729 -13.231 1.00 0.00 H new ATOM 2154 N LYS A 132 20.511 -1.711 -8.763 1.00 0.00 N ATOM 2155 CA LYS A 132 20.069 -3.110 -9.028 1.00 0.00 C ATOM 2156 C LYS A 132 20.817 -3.772 -10.228 1.00 0.00 C ATOM 2157 O LYS A 132 20.863 -3.213 -11.328 1.00 0.00 O ATOM 2158 CB LYS A 132 18.532 -3.123 -9.271 1.00 0.00 C ATOM 2159 CG LYS A 132 17.853 -4.456 -8.876 1.00 0.00 C ATOM 2160 CD LYS A 132 16.322 -4.422 -9.064 1.00 0.00 C ATOM 2161 CE LYS A 132 15.575 -5.563 -8.353 1.00 0.00 C ATOM 2162 NZ LYS A 132 15.732 -6.872 -9.016 1.00 0.00 N ATOM 0 H LYS A 132 19.842 -1.003 -9.065 1.00 0.00 H new ATOM 0 HA LYS A 132 20.318 -3.705 -8.150 1.00 0.00 H new ATOM 0 HB2 LYS A 132 18.076 -2.311 -8.704 1.00 0.00 H new ATOM 0 HB3 LYS A 132 18.338 -2.924 -10.325 1.00 0.00 H new ATOM 0 HG2 LYS A 132 18.271 -5.264 -9.476 1.00 0.00 H new ATOM 0 HG3 LYS A 132 18.082 -4.681 -7.834 1.00 0.00 H new ATOM 0 HD2 LYS A 132 15.943 -3.469 -8.695 1.00 0.00 H new ATOM 0 HD3 LYS A 132 16.097 -4.464 -10.130 1.00 0.00 H new ATOM 0 HE2 LYS A 132 15.935 -5.639 -7.327 1.00 0.00 H new ATOM 0 HE3 LYS A 132 14.515 -5.316 -8.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 15.366 -7.622 -8.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 15.201 -6.874 -9.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 16.739 -7.044 -9.211 1.00 0.00 H new ATOM 2175 N VAL A 133 21.371 -4.973 -10.007 1.00 0.00 N ATOM 2176 CA VAL A 133 22.089 -5.756 -11.069 1.00 0.00 C ATOM 2177 C VAL A 133 21.358 -7.067 -11.518 1.00 0.00 C ATOM 2178 O VAL A 133 21.462 -7.422 -12.696 1.00 0.00 O ATOM 2179 CB VAL A 133 23.604 -5.979 -10.727 1.00 0.00 C ATOM 2180 CG1 VAL A 133 24.399 -4.657 -10.689 1.00 0.00 C ATOM 2181 CG2 VAL A 133 23.887 -6.748 -9.421 1.00 0.00 C ATOM 0 H VAL A 133 21.344 -5.441 -9.101 1.00 0.00 H new ATOM 0 HA VAL A 133 22.060 -5.121 -11.955 1.00 0.00 H new ATOM 0 HB VAL A 133 23.940 -6.609 -11.551 1.00 0.00 H new ATOM 0 HG11 VAL A 133 25.441 -4.866 -10.448 1.00 0.00 H new ATOM 0 HG12 VAL A 133 24.342 -4.170 -11.663 1.00 0.00 H new ATOM 0 HG13 VAL A 133 23.976 -4.000 -9.929 1.00 0.00 H new ATOM 0 HG21 VAL A 133 24.964 -6.845 -9.282 1.00 0.00 H new ATOM 0 HG22 VAL A 133 23.460 -6.204 -8.579 1.00 0.00 H new ATOM 0 HG23 VAL A 133 23.437 -7.739 -9.478 1.00 0.00 H new ATOM 2191 N HIS A 134 20.637 -7.789 -10.633 1.00 0.00 N ATOM 2192 CA HIS A 134 19.823 -8.967 -11.026 1.00 0.00 C ATOM 2193 C HIS A 134 18.451 -8.891 -10.322 1.00 0.00 C ATOM 2194 O HIS A 134 17.427 -8.735 -11.024 1.00 0.00 O ATOM 2195 CB HIS A 134 20.620 -10.266 -10.727 1.00 0.00 C ATOM 2196 CG HIS A 134 19.989 -11.547 -11.268 1.00 0.00 C ATOM 2197 ND1 HIS A 134 19.305 -12.459 -10.491 1.00 0.00 N ATOM 2198 CD2 HIS A 134 20.003 -11.975 -12.607 1.00 0.00 C ATOM 2199 CE1 HIS A 134 18.958 -13.377 -11.448 1.00 0.00 C ATOM 2200 NE2 HIS A 134 19.329 -13.180 -12.754 1.00 0.00 N ATOM 2201 OXT HIS A 134 18.386 -9.002 -9.078 1.00 0.00 O ATOM 0 H HIS A 134 20.600 -7.577 -9.636 1.00 0.00 H new ATOM 0 HA HIS A 134 19.620 -8.974 -12.097 1.00 0.00 H new ATOM 0 HB2 HIS A 134 21.621 -10.166 -11.147 1.00 0.00 H new ATOM 0 HB3 HIS A 134 20.736 -10.363 -9.648 1.00 0.00 H new ATOM 0 HD2 HIS A 134 20.476 -11.437 -13.415 1.00 0.00 H new ATOM 0 HE1 HIS A 134 18.393 -14.255 -11.174 1.00 0.00 H new ATOM 0 HE2 HIS A 134 19.160 -13.748 -13.584 1.00 0.00 H new