USER MOD reduce.3.24.130724 H: found=0, std=0, add=462, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 465 hydrogens (19 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 117 THR OG1 : rot 180:sc= -0.574 USER MOD Set 1.2: A 121 ASN : amide:sc= -1.84 X(o=-2.4,f=-2.8!) USER MOD Set 2.1: A 89 CYS SG : rot 140:sc= 0.676 USER MOD Set 2.2: A 123 LYS NZ :NH3+ 164:sc= 0.766 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 47:sc= 0.00601 USER MOD Single : A 68 GLN : amide:sc= 0.922 K(o=0.92,f=-6.1!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=-0.0086) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 163:sc= 1.16 (180deg=0.597) USER MOD Single : A 79 CYS SG : rot -16:sc= -1.37! USER MOD Single : A 80 MET CE :methyl 157:sc= -0.138 (180deg=-0.672) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.148 X(o=-0.15,f=-0.16) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= 1.05 K(o=1.1,f=-0.2) USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.0583 USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.0536 USER MOD Single : A 111 TYR OH : rot -129:sc= 0.5 USER MOD Single : A 113 ASN : amide:sc= -2.2! X(o=-2.2!,f=-2.2) USER MOD Single : A1129 2MR OXT : rot 175:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 65 15.019 -6.576 -0.652 1.00 0.00 N ATOM 2 CA ALA A 65 13.774 -7.166 -1.116 1.00 0.00 C ATOM 3 C ALA A 65 14.009 -7.853 -2.436 1.00 0.00 C ATOM 4 O ALA A 65 14.946 -7.507 -3.150 1.00 0.00 O ATOM 5 CB ALA A 65 12.707 -6.097 -1.274 1.00 0.00 C ATOM 0 HA ALA A 65 13.429 -7.893 -0.381 1.00 0.00 H new ATOM 0 HB1 ALA A 65 11.781 -6.555 -1.622 1.00 0.00 H new ATOM 0 HB2 ALA A 65 12.533 -5.612 -0.314 1.00 0.00 H new ATOM 0 HB3 ALA A 65 13.040 -5.355 -2.000 1.00 0.00 H new ATOM 13 N SER A 66 13.177 -8.822 -2.767 1.00 0.00 N ATOM 14 CA SER A 66 13.284 -9.501 -4.040 1.00 0.00 C ATOM 15 C SER A 66 12.727 -8.607 -5.156 1.00 0.00 C ATOM 16 O SER A 66 13.177 -8.657 -6.301 1.00 0.00 O ATOM 17 CB SER A 66 12.532 -10.829 -3.985 1.00 0.00 C ATOM 18 OG SER A 66 13.035 -11.657 -2.934 1.00 0.00 O ATOM 0 H SER A 66 12.420 -9.155 -2.170 1.00 0.00 H new ATOM 0 HA SER A 66 14.333 -9.707 -4.253 1.00 0.00 H new ATOM 0 HB2 SER A 66 11.469 -10.643 -3.830 1.00 0.00 H new ATOM 0 HB3 SER A 66 12.629 -11.346 -4.939 1.00 0.00 H new ATOM 0 HG SER A 66 12.538 -12.501 -2.916 1.00 0.00 H new ATOM 24 N THR A 67 11.751 -7.808 -4.811 1.00 0.00 N ATOM 25 CA THR A 67 11.163 -6.875 -5.722 1.00 0.00 C ATOM 26 C THR A 67 11.554 -5.445 -5.354 1.00 0.00 C ATOM 27 O THR A 67 11.148 -4.915 -4.312 1.00 0.00 O ATOM 28 CB THR A 67 9.646 -7.057 -5.745 1.00 0.00 C ATOM 29 OG1 THR A 67 9.183 -7.330 -4.402 1.00 0.00 O ATOM 30 CG2 THR A 67 9.265 -8.204 -6.662 1.00 0.00 C ATOM 0 H THR A 67 11.341 -7.791 -3.877 1.00 0.00 H new ATOM 0 HA THR A 67 11.542 -7.067 -6.726 1.00 0.00 H new ATOM 0 HB THR A 67 9.180 -6.145 -6.119 1.00 0.00 H new ATOM 0 HG1 THR A 67 9.595 -6.696 -3.779 1.00 0.00 H new ATOM 0 HG21 THR A 67 8.181 -8.321 -6.668 1.00 0.00 H new ATOM 0 HG22 THR A 67 9.612 -7.992 -7.673 1.00 0.00 H new ATOM 0 HG23 THR A 67 9.727 -9.124 -6.305 1.00 0.00 H new ATOM 38 N GLN A 68 12.381 -4.860 -6.187 1.00 0.00 N ATOM 39 CA GLN A 68 12.914 -3.536 -5.977 1.00 0.00 C ATOM 40 C GLN A 68 11.853 -2.485 -6.279 1.00 0.00 C ATOM 41 O GLN A 68 11.386 -2.381 -7.418 1.00 0.00 O ATOM 42 CB GLN A 68 14.157 -3.285 -6.865 1.00 0.00 C ATOM 43 CG GLN A 68 15.281 -4.319 -6.730 1.00 0.00 C ATOM 44 CD GLN A 68 15.118 -5.554 -7.624 1.00 0.00 C ATOM 45 OE1 GLN A 68 14.008 -5.968 -7.984 1.00 0.00 O ATOM 46 NE2 GLN A 68 16.212 -6.158 -7.972 1.00 0.00 N ATOM 0 H GLN A 68 12.709 -5.300 -7.047 1.00 0.00 H new ATOM 0 HA GLN A 68 13.214 -3.461 -4.932 1.00 0.00 H new ATOM 0 HB2 GLN A 68 13.838 -3.254 -7.907 1.00 0.00 H new ATOM 0 HB3 GLN A 68 14.561 -2.301 -6.626 1.00 0.00 H new ATOM 0 HG2 GLN A 68 16.230 -3.838 -6.966 1.00 0.00 H new ATOM 0 HG3 GLN A 68 15.337 -4.643 -5.691 1.00 0.00 H new ATOM 0 HE21 GLN A 68 17.114 -5.797 -7.662 1.00 0.00 H new ATOM 0 HE22 GLN A 68 16.170 -6.994 -8.555 1.00 0.00 H new ATOM 55 N PRO A 69 11.446 -1.704 -5.280 1.00 0.00 N ATOM 56 CA PRO A 69 10.445 -0.670 -5.467 1.00 0.00 C ATOM 57 C PRO A 69 11.009 0.549 -6.201 1.00 0.00 C ATOM 58 O PRO A 69 12.119 1.006 -5.916 1.00 0.00 O ATOM 59 CB PRO A 69 10.032 -0.314 -4.050 1.00 0.00 C ATOM 60 CG PRO A 69 11.213 -0.639 -3.203 1.00 0.00 C ATOM 61 CD PRO A 69 11.929 -1.771 -3.882 1.00 0.00 C ATOM 0 HA PRO A 69 9.612 -1.007 -6.084 1.00 0.00 H new ATOM 0 HB2 PRO A 69 9.769 0.741 -3.970 1.00 0.00 H new ATOM 0 HB3 PRO A 69 9.157 -0.885 -3.740 1.00 0.00 H new ATOM 0 HG2 PRO A 69 11.867 0.227 -3.101 1.00 0.00 H new ATOM 0 HG3 PRO A 69 10.902 -0.924 -2.198 1.00 0.00 H new ATOM 0 HD2 PRO A 69 13.011 -1.651 -3.826 1.00 0.00 H new ATOM 0 HD3 PRO A 69 11.690 -2.730 -3.421 1.00 0.00 H new ATOM 69 N THR A 70 10.267 1.044 -7.152 1.00 0.00 N ATOM 70 CA THR A 70 10.697 2.179 -7.922 1.00 0.00 C ATOM 71 C THR A 70 10.180 3.467 -7.273 1.00 0.00 C ATOM 72 O THR A 70 10.783 4.541 -7.401 1.00 0.00 O ATOM 73 CB THR A 70 10.234 2.066 -9.412 1.00 0.00 C ATOM 74 OG1 THR A 70 10.846 3.088 -10.218 1.00 0.00 O ATOM 75 CG2 THR A 70 8.711 2.159 -9.544 1.00 0.00 C ATOM 0 H THR A 70 9.353 0.675 -7.415 1.00 0.00 H new ATOM 0 HA THR A 70 11.787 2.204 -7.930 1.00 0.00 H new ATOM 0 HB THR A 70 10.551 1.086 -9.768 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.544 2.998 -11.146 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.431 2.076 -10.594 1.00 0.00 H new ATOM 0 HG22 THR A 70 8.247 1.350 -8.980 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.370 3.117 -9.152 1.00 0.00 H new ATOM 83 N HIS A 71 9.096 3.339 -6.537 1.00 0.00 N ATOM 84 CA HIS A 71 8.506 4.459 -5.862 1.00 0.00 C ATOM 85 C HIS A 71 9.211 4.732 -4.556 1.00 0.00 C ATOM 86 O HIS A 71 9.857 3.843 -3.975 1.00 0.00 O ATOM 87 CB HIS A 71 7.013 4.245 -5.616 1.00 0.00 C ATOM 88 CG HIS A 71 6.122 4.459 -6.804 1.00 0.00 C ATOM 89 ND1 HIS A 71 5.678 3.465 -7.644 1.00 0.00 N ATOM 90 CD2 HIS A 71 5.566 5.599 -7.254 1.00 0.00 C ATOM 91 CE1 HIS A 71 4.881 4.023 -8.562 1.00 0.00 C ATOM 92 NE2 HIS A 71 4.779 5.327 -8.369 1.00 0.00 N ATOM 0 H HIS A 71 8.606 2.456 -6.395 1.00 0.00 H new ATOM 0 HA HIS A 71 8.621 5.326 -6.513 1.00 0.00 H new ATOM 0 HB2 HIS A 71 6.865 3.228 -5.252 1.00 0.00 H new ATOM 0 HB3 HIS A 71 6.694 4.918 -4.820 1.00 0.00 H new ATOM 0 HD2 HIS A 71 5.709 6.576 -6.816 1.00 0.00 H new ATOM 0 HE1 HIS A 71 4.387 3.481 -9.355 1.00 0.00 H new ATOM 0 HE2 HIS A 71 4.238 5.993 -8.921 1.00 0.00 H new ATOM 100 N SER A 72 9.092 5.938 -4.109 1.00 0.00 N ATOM 101 CA SER A 72 9.682 6.385 -2.901 1.00 0.00 C ATOM 102 C SER A 72 8.547 6.821 -1.984 1.00 0.00 C ATOM 103 O SER A 72 7.837 7.788 -2.276 1.00 0.00 O ATOM 104 CB SER A 72 10.617 7.554 -3.225 1.00 0.00 C ATOM 105 OG SER A 72 11.463 7.885 -2.139 1.00 0.00 O ATOM 0 H SER A 72 8.562 6.661 -4.595 1.00 0.00 H new ATOM 0 HA SER A 72 10.267 5.606 -2.411 1.00 0.00 H new ATOM 0 HB2 SER A 72 11.226 7.299 -4.092 1.00 0.00 H new ATOM 0 HB3 SER A 72 10.023 8.426 -3.498 1.00 0.00 H new ATOM 0 HG SER A 72 12.042 8.634 -2.392 1.00 0.00 H new ATOM 111 N TRP A 73 8.348 6.092 -0.917 1.00 0.00 N ATOM 112 CA TRP A 73 7.246 6.337 -0.024 1.00 0.00 C ATOM 113 C TRP A 73 7.722 6.735 1.361 1.00 0.00 C ATOM 114 O TRP A 73 8.812 6.319 1.796 1.00 0.00 O ATOM 115 CB TRP A 73 6.375 5.087 0.063 1.00 0.00 C ATOM 116 CG TRP A 73 5.712 4.727 -1.231 1.00 0.00 C ATOM 117 CD1 TRP A 73 6.009 3.678 -2.049 1.00 0.00 C ATOM 118 CD2 TRP A 73 4.647 5.441 -1.863 1.00 0.00 C ATOM 119 NE1 TRP A 73 5.173 3.686 -3.138 1.00 0.00 N ATOM 120 CE2 TRP A 73 4.337 4.760 -3.050 1.00 0.00 C ATOM 121 CE3 TRP A 73 3.921 6.587 -1.533 1.00 0.00 C ATOM 122 CZ2 TRP A 73 3.338 5.182 -3.910 1.00 0.00 C ATOM 123 CZ3 TRP A 73 2.930 7.010 -2.385 1.00 0.00 C ATOM 124 CH2 TRP A 73 2.646 6.300 -3.569 1.00 0.00 C ATOM 0 H TRP A 73 8.945 5.312 -0.643 1.00 0.00 H new ATOM 0 HA TRP A 73 6.665 7.168 -0.423 1.00 0.00 H new ATOM 0 HB2 TRP A 73 6.989 4.249 0.393 1.00 0.00 H new ATOM 0 HB3 TRP A 73 5.609 5.240 0.824 1.00 0.00 H new ATOM 0 HD1 TRP A 73 6.786 2.950 -1.868 1.00 0.00 H new ATOM 0 HE1 TRP A 73 5.177 2.999 -3.892 1.00 0.00 H new ATOM 0 HE3 TRP A 73 4.135 7.131 -0.625 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 3.117 4.642 -4.819 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 2.362 7.897 -2.145 1.00 0.00 H new ATOM 0 HH2 TRP A 73 1.860 6.653 -4.220 1.00 0.00 H new ATOM 135 N LYS A 74 6.914 7.532 2.050 1.00 0.00 N ATOM 136 CA LYS A 74 7.196 7.950 3.412 1.00 0.00 C ATOM 137 C LYS A 74 5.961 7.733 4.287 1.00 0.00 C ATOM 138 O LYS A 74 4.850 7.553 3.776 1.00 0.00 O ATOM 139 CB LYS A 74 7.609 9.426 3.497 1.00 0.00 C ATOM 140 CG LYS A 74 6.529 10.407 3.058 1.00 0.00 C ATOM 141 CD LYS A 74 6.844 11.837 3.482 1.00 0.00 C ATOM 142 CE LYS A 74 6.778 11.993 5.004 1.00 0.00 C ATOM 143 NZ LYS A 74 6.974 13.385 5.440 1.00 0.00 N ATOM 0 H LYS A 74 6.042 7.906 1.676 1.00 0.00 H new ATOM 0 HA LYS A 74 8.031 7.344 3.765 1.00 0.00 H new ATOM 0 HB2 LYS A 74 7.893 9.653 4.525 1.00 0.00 H new ATOM 0 HB3 LYS A 74 8.495 9.579 2.880 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.422 10.366 1.974 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.572 10.106 3.484 1.00 0.00 H new ATOM 0 HD2 LYS A 74 7.838 12.113 3.129 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.137 12.522 3.013 1.00 0.00 H new ATOM 0 HE2 LYS A 74 5.811 11.637 5.360 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.539 11.362 5.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.920 13.435 6.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 7.907 13.719 5.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 6.233 13.986 5.026 1.00 0.00 H new ATOM 157 N VAL A 75 6.169 7.712 5.583 1.00 0.00 N ATOM 158 CA VAL A 75 5.093 7.605 6.551 1.00 0.00 C ATOM 159 C VAL A 75 4.188 8.837 6.476 1.00 0.00 C ATOM 160 O VAL A 75 4.674 9.965 6.399 1.00 0.00 O ATOM 161 CB VAL A 75 5.653 7.440 7.995 1.00 0.00 C ATOM 162 CG1 VAL A 75 4.538 7.442 9.034 1.00 0.00 C ATOM 163 CG2 VAL A 75 6.450 6.152 8.099 1.00 0.00 C ATOM 0 H VAL A 75 7.097 7.769 6.003 1.00 0.00 H new ATOM 0 HA VAL A 75 4.508 6.718 6.309 1.00 0.00 H new ATOM 0 HB VAL A 75 6.303 8.291 8.198 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.968 7.325 10.029 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.994 8.385 8.982 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.854 6.617 8.835 1.00 0.00 H new ATOM 0 HG21 VAL A 75 6.838 6.045 9.112 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.805 5.305 7.866 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.281 6.180 7.394 1.00 0.00 H new ATOM 173 N GLY A 76 2.895 8.609 6.458 1.00 0.00 N ATOM 174 CA GLY A 76 1.948 9.693 6.439 1.00 0.00 C ATOM 175 C GLY A 76 1.619 10.144 5.047 1.00 0.00 C ATOM 176 O GLY A 76 1.062 11.234 4.848 1.00 0.00 O ATOM 0 H GLY A 76 2.477 7.679 6.456 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.033 9.381 6.942 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.351 10.533 7.004 1.00 0.00 H new ATOM 180 N ASP A 77 1.963 9.338 4.076 1.00 0.00 N ATOM 181 CA ASP A 77 1.681 9.678 2.698 1.00 0.00 C ATOM 182 C ASP A 77 0.475 8.943 2.252 1.00 0.00 C ATOM 183 O ASP A 77 0.123 7.896 2.829 1.00 0.00 O ATOM 184 CB ASP A 77 2.798 9.261 1.782 1.00 0.00 C ATOM 185 CG ASP A 77 3.104 10.318 0.749 1.00 0.00 C ATOM 186 OD1 ASP A 77 2.189 10.743 0.027 1.00 0.00 O ATOM 187 OD2 ASP A 77 4.262 10.760 0.668 1.00 0.00 O ATOM 0 H ASP A 77 2.437 8.445 4.209 1.00 0.00 H new ATOM 0 HA ASP A 77 1.549 10.759 2.653 1.00 0.00 H new ATOM 0 HB2 ASP A 77 3.693 9.058 2.370 1.00 0.00 H new ATOM 0 HB3 ASP A 77 2.529 8.331 1.281 1.00 0.00 H new ATOM 192 N LYS A 78 -0.131 9.432 1.227 1.00 0.00 N ATOM 193 CA LYS A 78 -1.248 8.785 0.669 1.00 0.00 C ATOM 194 C LYS A 78 -0.814 7.979 -0.519 1.00 0.00 C ATOM 195 O LYS A 78 -0.121 8.473 -1.415 1.00 0.00 O ATOM 196 CB LYS A 78 -2.328 9.778 0.260 1.00 0.00 C ATOM 197 CG LYS A 78 -3.083 10.422 1.402 1.00 0.00 C ATOM 198 CD LYS A 78 -3.860 9.382 2.198 1.00 0.00 C ATOM 199 CE LYS A 78 -4.839 10.033 3.156 1.00 0.00 C ATOM 200 NZ LYS A 78 -5.902 10.768 2.436 1.00 0.00 N ATOM 0 H LYS A 78 0.141 10.295 0.756 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.676 8.129 1.427 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.867 10.564 -0.338 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.044 9.266 -0.384 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.384 10.940 2.059 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -3.769 11.173 1.011 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -4.400 8.727 1.514 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.165 8.756 2.757 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -5.290 9.270 3.790 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.304 10.718 3.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.696 10.951 3.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -5.524 11.672 2.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -6.234 10.198 1.632 1.00 0.00 H new ATOM 214 N CYS A 79 -1.225 6.773 -0.529 1.00 0.00 N ATOM 215 CA CYS A 79 -0.949 5.879 -1.597 1.00 0.00 C ATOM 216 C CYS A 79 -2.191 5.085 -1.880 1.00 0.00 C ATOM 217 O CYS A 79 -3.207 5.250 -1.204 1.00 0.00 O ATOM 218 CB CYS A 79 0.185 4.938 -1.203 1.00 0.00 C ATOM 219 SG CYS A 79 -0.133 3.966 0.304 1.00 0.00 S ATOM 0 H CYS A 79 -1.779 6.362 0.223 1.00 0.00 H new ATOM 0 HA CYS A 79 -0.648 6.436 -2.484 1.00 0.00 H new ATOM 0 HB2 CYS A 79 0.376 4.253 -2.029 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.093 5.523 -1.058 1.00 0.00 H new ATOM 0 HG CYS A 79 -1.125 4.492 0.959 1.00 0.00 H new ATOM 225 N MET A 80 -2.149 4.285 -2.873 1.00 0.00 N ATOM 226 CA MET A 80 -3.225 3.393 -3.134 1.00 0.00 C ATOM 227 C MET A 80 -2.677 2.015 -3.026 1.00 0.00 C ATOM 228 O MET A 80 -1.633 1.717 -3.602 1.00 0.00 O ATOM 229 CB MET A 80 -3.870 3.613 -4.501 1.00 0.00 C ATOM 230 CG MET A 80 -4.290 5.048 -4.768 1.00 0.00 C ATOM 231 SD MET A 80 -5.333 5.226 -6.228 1.00 0.00 S ATOM 232 CE MET A 80 -6.815 4.385 -5.666 1.00 0.00 C ATOM 0 H MET A 80 -1.373 4.224 -3.532 1.00 0.00 H new ATOM 0 HA MET A 80 -4.021 3.569 -2.411 1.00 0.00 H new ATOM 0 HB2 MET A 80 -3.169 3.301 -5.275 1.00 0.00 H new ATOM 0 HB3 MET A 80 -4.745 2.969 -4.585 1.00 0.00 H new ATOM 0 HG2 MET A 80 -4.825 5.430 -3.899 1.00 0.00 H new ATOM 0 HG3 MET A 80 -3.399 5.664 -4.890 1.00 0.00 H new ATOM 0 HE1 MET A 80 -7.672 4.736 -6.240 1.00 0.00 H new ATOM 0 HE2 MET A 80 -6.699 3.310 -5.807 1.00 0.00 H new ATOM 0 HE3 MET A 80 -6.975 4.597 -4.609 1.00 0.00 H new ATOM 242 N ALA A 81 -3.343 1.195 -2.300 1.00 0.00 N ATOM 243 CA ALA A 81 -2.885 -0.129 -2.041 1.00 0.00 C ATOM 244 C ALA A 81 -3.864 -1.106 -2.588 1.00 0.00 C ATOM 245 O ALA A 81 -5.050 -0.792 -2.733 1.00 0.00 O ATOM 246 CB ALA A 81 -2.731 -0.337 -0.552 1.00 0.00 C ATOM 0 H ALA A 81 -4.235 1.423 -1.860 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.918 -0.278 -2.521 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.381 -1.351 -0.361 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.008 0.377 -0.158 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.693 -0.187 -0.062 1.00 0.00 H new ATOM 252 N VAL A 82 -3.380 -2.258 -2.926 1.00 0.00 N ATOM 253 CA VAL A 82 -4.218 -3.310 -3.399 1.00 0.00 C ATOM 254 C VAL A 82 -4.651 -4.111 -2.197 1.00 0.00 C ATOM 255 O VAL A 82 -3.822 -4.731 -1.542 1.00 0.00 O ATOM 256 CB VAL A 82 -3.462 -4.227 -4.401 1.00 0.00 C ATOM 257 CG1 VAL A 82 -4.373 -5.324 -4.938 1.00 0.00 C ATOM 258 CG2 VAL A 82 -2.880 -3.410 -5.545 1.00 0.00 C ATOM 0 H VAL A 82 -2.389 -2.495 -2.881 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.075 -2.892 -3.927 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.642 -4.703 -3.864 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.817 -5.949 -5.636 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.733 -5.935 -4.111 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.222 -4.873 -5.452 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.355 -4.071 -6.234 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.685 -2.899 -6.074 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.182 -2.673 -5.148 1.00 0.00 H new ATOM 268 N TRP A 83 -5.929 -4.062 -1.902 1.00 0.00 N ATOM 269 CA TRP A 83 -6.494 -4.752 -0.778 1.00 0.00 C ATOM 270 C TRP A 83 -6.378 -6.218 -1.031 1.00 0.00 C ATOM 271 O TRP A 83 -6.958 -6.724 -2.005 1.00 0.00 O ATOM 272 CB TRP A 83 -7.964 -4.369 -0.618 1.00 0.00 C ATOM 273 CG TRP A 83 -8.591 -4.796 0.683 1.00 0.00 C ATOM 274 CD1 TRP A 83 -7.965 -4.936 1.879 1.00 0.00 C ATOM 275 CD2 TRP A 83 -9.969 -5.080 0.927 1.00 0.00 C ATOM 276 NE1 TRP A 83 -8.846 -5.298 2.848 1.00 0.00 N ATOM 277 CE2 TRP A 83 -10.091 -5.391 2.295 1.00 0.00 C ATOM 278 CE3 TRP A 83 -11.110 -5.107 0.132 1.00 0.00 C ATOM 279 CZ2 TRP A 83 -11.306 -5.720 2.873 1.00 0.00 C ATOM 280 CZ3 TRP A 83 -12.313 -5.438 0.717 1.00 0.00 C ATOM 281 CH2 TRP A 83 -12.393 -5.738 2.074 1.00 0.00 C ATOM 0 H TRP A 83 -6.610 -3.533 -2.447 1.00 0.00 H new ATOM 0 HA TRP A 83 -5.965 -4.482 0.136 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -8.055 -3.287 -0.711 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -8.531 -4.808 -1.439 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -6.908 -4.781 2.039 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -8.616 -5.472 3.826 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -11.054 -4.874 -0.921 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -11.381 -5.954 3.925 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -13.208 -5.465 0.113 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -13.353 -5.992 2.499 1.00 0.00 H new ATOM 292 N SER A 84 -5.665 -6.900 -0.169 1.00 0.00 N ATOM 293 CA SER A 84 -5.404 -8.324 -0.311 1.00 0.00 C ATOM 294 C SER A 84 -6.707 -9.135 -0.336 1.00 0.00 C ATOM 295 O SER A 84 -6.745 -10.247 -0.854 1.00 0.00 O ATOM 296 CB SER A 84 -4.479 -8.807 0.825 1.00 0.00 C ATOM 297 OG SER A 84 -4.123 -10.186 0.685 1.00 0.00 O ATOM 0 H SER A 84 -5.242 -6.485 0.661 1.00 0.00 H new ATOM 0 HA SER A 84 -4.903 -8.484 -1.266 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.574 -8.200 0.837 1.00 0.00 H new ATOM 0 HB3 SER A 84 -4.976 -8.658 1.784 1.00 0.00 H new ATOM 0 HG SER A 84 -3.536 -10.449 1.424 1.00 0.00 H new ATOM 303 N GLU A 85 -7.771 -8.561 0.178 1.00 0.00 N ATOM 304 CA GLU A 85 -9.030 -9.249 0.247 1.00 0.00 C ATOM 305 C GLU A 85 -9.775 -9.226 -1.067 1.00 0.00 C ATOM 306 O GLU A 85 -10.335 -10.234 -1.480 1.00 0.00 O ATOM 307 CB GLU A 85 -9.896 -8.639 1.308 1.00 0.00 C ATOM 308 CG GLU A 85 -9.301 -8.696 2.683 1.00 0.00 C ATOM 309 CD GLU A 85 -9.044 -10.113 3.131 1.00 0.00 C ATOM 310 OE1 GLU A 85 -10.018 -10.854 3.381 1.00 0.00 O ATOM 311 OE2 GLU A 85 -7.876 -10.514 3.245 1.00 0.00 O ATOM 0 H GLU A 85 -7.784 -7.613 0.555 1.00 0.00 H new ATOM 0 HA GLU A 85 -8.806 -10.288 0.489 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -10.092 -7.598 1.050 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -10.858 -9.151 1.317 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -8.366 -8.137 2.696 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -9.974 -8.209 3.389 1.00 0.00 H new ATOM 318 N ASP A 86 -9.777 -8.097 -1.732 1.00 0.00 N ATOM 319 CA ASP A 86 -10.609 -7.977 -2.932 1.00 0.00 C ATOM 320 C ASP A 86 -9.769 -7.967 -4.197 1.00 0.00 C ATOM 321 O ASP A 86 -10.259 -8.269 -5.281 1.00 0.00 O ATOM 322 CB ASP A 86 -11.433 -6.697 -2.849 1.00 0.00 C ATOM 323 CG ASP A 86 -12.644 -6.693 -3.750 1.00 0.00 C ATOM 324 OD1 ASP A 86 -12.557 -6.287 -4.906 1.00 0.00 O ATOM 325 OD2 ASP A 86 -13.739 -7.059 -3.268 1.00 0.00 O ATOM 0 H ASP A 86 -9.237 -7.268 -1.485 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.268 -8.844 -2.978 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -11.758 -6.551 -1.819 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -10.798 -5.849 -3.106 1.00 0.00 H new ATOM 330 N GLY A 87 -8.494 -7.666 -4.050 1.00 0.00 N ATOM 331 CA GLY A 87 -7.602 -7.597 -5.192 1.00 0.00 C ATOM 332 C GLY A 87 -7.756 -6.294 -5.958 1.00 0.00 C ATOM 333 O GLY A 87 -7.368 -6.192 -7.118 1.00 0.00 O ATOM 0 H GLY A 87 -8.052 -7.465 -3.153 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.571 -7.698 -4.853 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.802 -8.435 -5.859 1.00 0.00 H new ATOM 337 N GLN A 88 -8.343 -5.308 -5.317 1.00 0.00 N ATOM 338 CA GLN A 88 -8.560 -4.006 -5.929 1.00 0.00 C ATOM 339 C GLN A 88 -7.751 -2.947 -5.237 1.00 0.00 C ATOM 340 O GLN A 88 -7.270 -3.169 -4.131 1.00 0.00 O ATOM 341 CB GLN A 88 -10.030 -3.640 -5.935 1.00 0.00 C ATOM 342 CG GLN A 88 -10.866 -4.484 -6.856 1.00 0.00 C ATOM 343 CD GLN A 88 -10.503 -4.312 -8.313 1.00 0.00 C ATOM 344 OE1 GLN A 88 -11.054 -3.459 -8.993 1.00 0.00 O ATOM 345 NE2 GLN A 88 -9.597 -5.111 -8.802 1.00 0.00 N ATOM 0 H GLN A 88 -8.685 -5.381 -4.359 1.00 0.00 H new ATOM 0 HA GLN A 88 -8.227 -4.067 -6.965 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -10.421 -3.730 -4.921 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -10.132 -2.594 -6.224 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -10.752 -5.533 -6.581 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -11.917 -4.230 -6.717 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -9.158 -5.811 -8.204 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -9.327 -5.036 -9.783 1.00 0.00 H new ATOM 354 N CYS A 89 -7.636 -1.797 -5.849 1.00 0.00 N ATOM 355 CA CYS A 89 -6.827 -0.733 -5.284 1.00 0.00 C ATOM 356 C CYS A 89 -7.687 0.343 -4.631 1.00 0.00 C ATOM 357 O CYS A 89 -8.698 0.778 -5.196 1.00 0.00 O ATOM 358 CB CYS A 89 -5.853 -0.149 -6.323 1.00 0.00 C ATOM 359 SG CYS A 89 -6.608 0.429 -7.865 1.00 0.00 S ATOM 0 H CYS A 89 -8.087 -1.568 -6.735 1.00 0.00 H new ATOM 0 HA CYS A 89 -6.219 -1.171 -4.493 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -5.319 0.684 -5.866 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -5.110 -0.909 -6.566 1.00 0.00 H new ATOM 0 HG CYS A 89 -6.038 1.536 -8.239 1.00 0.00 H new ATOM 365 N TYR A 90 -7.289 0.739 -3.441 1.00 0.00 N ATOM 366 CA TYR A 90 -8.012 1.697 -2.614 1.00 0.00 C ATOM 367 C TYR A 90 -7.009 2.652 -1.987 1.00 0.00 C ATOM 368 O TYR A 90 -5.827 2.312 -1.894 1.00 0.00 O ATOM 369 CB TYR A 90 -8.768 0.950 -1.505 1.00 0.00 C ATOM 370 CG TYR A 90 -9.801 -0.056 -1.994 1.00 0.00 C ATOM 371 CD1 TYR A 90 -9.425 -1.347 -2.337 1.00 0.00 C ATOM 372 CD2 TYR A 90 -11.138 0.279 -2.098 1.00 0.00 C ATOM 373 CE1 TYR A 90 -10.345 -2.267 -2.769 1.00 0.00 C ATOM 374 CE2 TYR A 90 -12.071 -0.643 -2.532 1.00 0.00 C ATOM 375 CZ TYR A 90 -11.665 -1.915 -2.866 1.00 0.00 C ATOM 376 OH TYR A 90 -12.584 -2.835 -3.309 1.00 0.00 O ATOM 0 H TYR A 90 -6.432 0.398 -3.006 1.00 0.00 H new ATOM 0 HA TYR A 90 -8.726 2.251 -3.224 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -8.043 0.429 -0.880 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -9.268 1.682 -0.871 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -8.386 -1.633 -2.262 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -11.458 1.277 -1.836 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -10.030 -3.266 -3.032 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -13.112 -0.367 -2.609 1.00 0.00 H new ATOM 0 HH TYR A 90 -13.476 -2.428 -3.319 1.00 0.00 H new ATOM 386 N GLU A 91 -7.454 3.826 -1.577 1.00 0.00 N ATOM 387 CA GLU A 91 -6.568 4.816 -0.983 1.00 0.00 C ATOM 388 C GLU A 91 -6.193 4.394 0.431 1.00 0.00 C ATOM 389 O GLU A 91 -7.051 4.036 1.249 1.00 0.00 O ATOM 390 CB GLU A 91 -7.211 6.212 -0.955 1.00 0.00 C ATOM 391 CG GLU A 91 -6.272 7.308 -0.448 1.00 0.00 C ATOM 392 CD GLU A 91 -6.937 8.652 -0.304 1.00 0.00 C ATOM 393 OE1 GLU A 91 -7.223 9.323 -1.328 1.00 0.00 O ATOM 394 OE2 GLU A 91 -7.197 9.074 0.834 1.00 0.00 O ATOM 0 H GLU A 91 -8.428 4.120 -1.644 1.00 0.00 H new ATOM 0 HA GLU A 91 -5.672 4.873 -1.601 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -7.547 6.469 -1.960 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.097 6.182 -0.321 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -5.865 7.008 0.518 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -5.430 7.400 -1.134 1.00 0.00 H new ATOM 401 N ALA A 92 -4.932 4.432 0.708 1.00 0.00 N ATOM 402 CA ALA A 92 -4.418 4.046 1.980 1.00 0.00 C ATOM 403 C ALA A 92 -3.286 4.960 2.388 1.00 0.00 C ATOM 404 O ALA A 92 -2.542 5.455 1.539 1.00 0.00 O ATOM 405 CB ALA A 92 -3.938 2.620 1.917 1.00 0.00 C ATOM 0 H ALA A 92 -4.218 4.737 0.046 1.00 0.00 H new ATOM 0 HA ALA A 92 -5.210 4.126 2.724 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.545 2.325 2.890 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -4.769 1.968 1.649 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -3.152 2.533 1.167 1.00 0.00 H new ATOM 411 N GLU A 93 -3.153 5.186 3.659 1.00 0.00 N ATOM 412 CA GLU A 93 -2.100 6.019 4.169 1.00 0.00 C ATOM 413 C GLU A 93 -1.054 5.136 4.815 1.00 0.00 C ATOM 414 O GLU A 93 -1.385 4.176 5.517 1.00 0.00 O ATOM 415 CB GLU A 93 -2.647 7.052 5.156 1.00 0.00 C ATOM 416 CG GLU A 93 -1.622 8.079 5.632 1.00 0.00 C ATOM 417 CD GLU A 93 -2.247 9.121 6.519 1.00 0.00 C ATOM 418 OE1 GLU A 93 -2.868 10.060 6.005 1.00 0.00 O ATOM 419 OE2 GLU A 93 -2.156 9.015 7.757 1.00 0.00 O ATOM 0 H GLU A 93 -3.769 4.800 4.374 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.644 6.576 3.351 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.479 7.578 4.688 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.049 6.529 6.024 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -0.824 7.572 6.174 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -1.164 8.563 4.769 1.00 0.00 H new ATOM 426 N ILE A 94 0.180 5.418 4.527 1.00 0.00 N ATOM 427 CA ILE A 94 1.303 4.651 5.046 1.00 0.00 C ATOM 428 C ILE A 94 1.585 4.985 6.505 1.00 0.00 C ATOM 429 O ILE A 94 1.789 6.145 6.863 1.00 0.00 O ATOM 430 CB ILE A 94 2.562 4.902 4.201 1.00 0.00 C ATOM 431 CG1 ILE A 94 2.248 4.576 2.750 1.00 0.00 C ATOM 432 CG2 ILE A 94 3.728 4.047 4.705 1.00 0.00 C ATOM 433 CD1 ILE A 94 3.294 5.009 1.773 1.00 0.00 C ATOM 0 H ILE A 94 0.453 6.192 3.921 1.00 0.00 H new ATOM 0 HA ILE A 94 1.033 3.597 4.986 1.00 0.00 H new ATOM 0 HB ILE A 94 2.857 5.948 4.286 1.00 0.00 H new ATOM 0 HG12 ILE A 94 2.106 3.499 2.656 1.00 0.00 H new ATOM 0 HG13 ILE A 94 1.302 5.047 2.482 1.00 0.00 H new ATOM 0 HG21 ILE A 94 4.610 4.239 4.094 1.00 0.00 H new ATOM 0 HG22 ILE A 94 3.943 4.301 5.743 1.00 0.00 H new ATOM 0 HG23 ILE A 94 3.462 2.992 4.637 1.00 0.00 H new ATOM 0 HD11 ILE A 94 2.985 4.735 0.764 1.00 0.00 H new ATOM 0 HD12 ILE A 94 3.422 6.090 1.833 1.00 0.00 H new ATOM 0 HD13 ILE A 94 4.238 4.518 2.009 1.00 0.00 H new ATOM 445 N GLU A 95 1.596 3.967 7.317 1.00 0.00 N ATOM 446 CA GLU A 95 1.850 4.075 8.743 1.00 0.00 C ATOM 447 C GLU A 95 3.309 3.803 9.063 1.00 0.00 C ATOM 448 O GLU A 95 3.900 4.447 9.929 1.00 0.00 O ATOM 449 CB GLU A 95 0.985 3.075 9.479 1.00 0.00 C ATOM 450 CG GLU A 95 -0.493 3.345 9.352 1.00 0.00 C ATOM 451 CD GLU A 95 -0.919 4.585 10.094 1.00 0.00 C ATOM 452 OE1 GLU A 95 -1.063 4.538 11.328 1.00 0.00 O ATOM 453 OE2 GLU A 95 -1.093 5.638 9.469 1.00 0.00 O ATOM 0 H GLU A 95 1.425 3.010 7.007 1.00 0.00 H new ATOM 0 HA GLU A 95 1.612 5.091 9.059 1.00 0.00 H new ATOM 0 HB2 GLU A 95 1.197 2.075 9.099 1.00 0.00 H new ATOM 0 HB3 GLU A 95 1.257 3.080 10.534 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -0.751 3.450 8.298 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.050 2.489 9.733 1.00 0.00 H new ATOM 460 N GLU A 96 3.892 2.859 8.361 1.00 0.00 N ATOM 461 CA GLU A 96 5.259 2.474 8.612 1.00 0.00 C ATOM 462 C GLU A 96 5.837 1.810 7.378 1.00 0.00 C ATOM 463 O GLU A 96 5.099 1.252 6.578 1.00 0.00 O ATOM 464 CB GLU A 96 5.338 1.537 9.828 1.00 0.00 C ATOM 465 CG GLU A 96 6.754 1.220 10.257 1.00 0.00 C ATOM 466 CD GLU A 96 7.535 2.472 10.574 1.00 0.00 C ATOM 467 OE1 GLU A 96 8.100 3.097 9.644 1.00 0.00 O ATOM 468 OE2 GLU A 96 7.571 2.882 11.757 1.00 0.00 O ATOM 0 H GLU A 96 3.437 2.342 7.608 1.00 0.00 H new ATOM 0 HA GLU A 96 5.846 3.364 8.837 1.00 0.00 H new ATOM 0 HB2 GLU A 96 4.808 1.994 10.663 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.821 0.606 9.593 1.00 0.00 H new ATOM 0 HG2 GLU A 96 6.732 0.573 11.134 1.00 0.00 H new ATOM 0 HG3 GLU A 96 7.259 0.667 9.465 1.00 0.00 H new ATOM 475 N ILE A 97 7.135 1.901 7.218 1.00 0.00 N ATOM 476 CA ILE A 97 7.829 1.345 6.071 1.00 0.00 C ATOM 477 C ILE A 97 8.902 0.353 6.529 1.00 0.00 C ATOM 478 O ILE A 97 9.589 0.582 7.522 1.00 0.00 O ATOM 479 CB ILE A 97 8.493 2.491 5.269 1.00 0.00 C ATOM 480 CG1 ILE A 97 7.428 3.472 4.820 1.00 0.00 C ATOM 481 CG2 ILE A 97 9.259 1.960 4.051 1.00 0.00 C ATOM 482 CD1 ILE A 97 7.953 4.833 4.585 1.00 0.00 C ATOM 0 H ILE A 97 7.750 2.367 7.885 1.00 0.00 H new ATOM 0 HA ILE A 97 7.111 0.821 5.441 1.00 0.00 H new ATOM 0 HB ILE A 97 9.211 2.990 5.919 1.00 0.00 H new ATOM 0 HG12 ILE A 97 6.967 3.104 3.903 1.00 0.00 H new ATOM 0 HG13 ILE A 97 6.643 3.517 5.575 1.00 0.00 H new ATOM 0 HG21 ILE A 97 9.711 2.794 3.514 1.00 0.00 H new ATOM 0 HG22 ILE A 97 10.040 1.276 4.382 1.00 0.00 H new ATOM 0 HG23 ILE A 97 8.571 1.433 3.390 1.00 0.00 H new ATOM 0 HD11 ILE A 97 7.141 5.486 4.266 1.00 0.00 H new ATOM 0 HD12 ILE A 97 8.389 5.219 5.507 1.00 0.00 H new ATOM 0 HD13 ILE A 97 8.717 4.799 3.809 1.00 0.00 H new ATOM 494 N ASP A 98 9.002 -0.735 5.821 1.00 0.00 N ATOM 495 CA ASP A 98 10.009 -1.754 6.029 1.00 0.00 C ATOM 496 C ASP A 98 10.796 -1.870 4.742 1.00 0.00 C ATOM 497 O ASP A 98 10.361 -2.532 3.790 1.00 0.00 O ATOM 498 CB ASP A 98 9.349 -3.098 6.342 1.00 0.00 C ATOM 499 CG ASP A 98 10.351 -4.190 6.644 1.00 0.00 C ATOM 500 OD1 ASP A 98 10.935 -4.744 5.703 1.00 0.00 O ATOM 501 OD2 ASP A 98 10.551 -4.523 7.841 1.00 0.00 O ATOM 0 H ASP A 98 8.365 -0.951 5.054 1.00 0.00 H new ATOM 0 HA ASP A 98 10.653 -1.487 6.867 1.00 0.00 H new ATOM 0 HB2 ASP A 98 8.681 -2.979 7.195 1.00 0.00 H new ATOM 0 HB3 ASP A 98 8.734 -3.401 5.495 1.00 0.00 H new ATOM 506 N GLU A 99 11.902 -1.172 4.681 1.00 0.00 N ATOM 507 CA GLU A 99 12.732 -1.116 3.485 1.00 0.00 C ATOM 508 C GLU A 99 13.357 -2.466 3.136 1.00 0.00 C ATOM 509 O GLU A 99 13.638 -2.735 1.970 1.00 0.00 O ATOM 510 CB GLU A 99 13.819 -0.049 3.625 1.00 0.00 C ATOM 511 CG GLU A 99 13.288 1.362 3.818 1.00 0.00 C ATOM 512 CD GLU A 99 14.391 2.385 3.925 1.00 0.00 C ATOM 513 OE1 GLU A 99 14.902 2.611 5.039 1.00 0.00 O ATOM 514 OE2 GLU A 99 14.763 2.996 2.898 1.00 0.00 O ATOM 0 H GLU A 99 12.262 -0.620 5.460 1.00 0.00 H new ATOM 0 HA GLU A 99 12.070 -0.846 2.662 1.00 0.00 H new ATOM 0 HB2 GLU A 99 14.456 -0.304 4.472 1.00 0.00 H new ATOM 0 HB3 GLU A 99 14.449 -0.069 2.736 1.00 0.00 H new ATOM 0 HG2 GLU A 99 12.638 1.620 2.982 1.00 0.00 H new ATOM 0 HG3 GLU A 99 12.676 1.396 4.720 1.00 0.00 H new ATOM 521 N GLU A 100 13.539 -3.322 4.133 1.00 0.00 N ATOM 522 CA GLU A 100 14.207 -4.607 3.932 1.00 0.00 C ATOM 523 C GLU A 100 13.360 -5.485 2.999 1.00 0.00 C ATOM 524 O GLU A 100 13.861 -6.053 2.020 1.00 0.00 O ATOM 525 CB GLU A 100 14.344 -5.303 5.297 1.00 0.00 C ATOM 526 CG GLU A 100 15.507 -6.302 5.427 1.00 0.00 C ATOM 527 CD GLU A 100 15.511 -7.410 4.395 1.00 0.00 C ATOM 528 OE1 GLU A 100 14.760 -8.388 4.532 1.00 0.00 O ATOM 529 OE2 GLU A 100 16.279 -7.326 3.425 1.00 0.00 O ATOM 0 H GLU A 100 13.234 -3.152 5.091 1.00 0.00 H new ATOM 0 HA GLU A 100 15.189 -4.452 3.486 1.00 0.00 H new ATOM 0 HB2 GLU A 100 14.461 -4.537 6.064 1.00 0.00 H new ATOM 0 HB3 GLU A 100 13.413 -5.829 5.510 1.00 0.00 H new ATOM 0 HG2 GLU A 100 16.447 -5.755 5.356 1.00 0.00 H new ATOM 0 HG3 GLU A 100 15.473 -6.750 6.420 1.00 0.00 H new ATOM 536 N ASN A 101 12.070 -5.511 3.248 1.00 0.00 N ATOM 537 CA ASN A 101 11.162 -6.314 2.438 1.00 0.00 C ATOM 538 C ASN A 101 10.539 -5.477 1.378 1.00 0.00 C ATOM 539 O ASN A 101 9.871 -5.993 0.477 1.00 0.00 O ATOM 540 CB ASN A 101 10.055 -6.943 3.284 1.00 0.00 C ATOM 541 CG ASN A 101 10.566 -7.901 4.327 1.00 0.00 C ATOM 542 OD1 ASN A 101 10.690 -9.102 4.084 1.00 0.00 O ATOM 543 ND2 ASN A 101 10.885 -7.389 5.469 1.00 0.00 N ATOM 0 H ASN A 101 11.621 -4.990 4.001 1.00 0.00 H new ATOM 0 HA ASN A 101 11.753 -7.112 1.988 1.00 0.00 H new ATOM 0 HB2 ASN A 101 9.490 -6.151 3.775 1.00 0.00 H new ATOM 0 HB3 ASN A 101 9.362 -7.469 2.628 1.00 0.00 H new ATOM 0 HD21 ASN A 101 11.255 -7.985 6.210 1.00 0.00 H new ATOM 0 HD22 ASN A 101 10.767 -6.389 5.630 1.00 0.00 H new ATOM 550 N GLY A 102 10.760 -4.184 1.476 1.00 0.00 N ATOM 551 CA GLY A 102 10.165 -3.256 0.562 1.00 0.00 C ATOM 552 C GLY A 102 8.681 -3.174 0.796 1.00 0.00 C ATOM 553 O GLY A 102 7.912 -2.935 -0.118 1.00 0.00 O ATOM 0 H GLY A 102 11.353 -3.757 2.188 1.00 0.00 H new ATOM 0 HA2 GLY A 102 10.615 -2.271 0.688 1.00 0.00 H new ATOM 0 HA3 GLY A 102 10.362 -3.568 -0.464 1.00 0.00 H new ATOM 557 N THR A 103 8.271 -3.389 2.023 1.00 0.00 N ATOM 558 CA THR A 103 6.873 -3.383 2.339 1.00 0.00 C ATOM 559 C THR A 103 6.523 -2.236 3.245 1.00 0.00 C ATOM 560 O THR A 103 7.375 -1.714 3.942 1.00 0.00 O ATOM 561 CB THR A 103 6.439 -4.717 2.965 1.00 0.00 C ATOM 562 OG1 THR A 103 7.289 -5.031 4.092 1.00 0.00 O ATOM 563 CG2 THR A 103 6.504 -5.847 1.948 1.00 0.00 C ATOM 0 H THR A 103 8.889 -3.570 2.814 1.00 0.00 H new ATOM 0 HA THR A 103 6.328 -3.253 1.404 1.00 0.00 H new ATOM 0 HB THR A 103 5.407 -4.614 3.300 1.00 0.00 H new ATOM 0 HG1 THR A 103 7.006 -5.882 4.488 1.00 0.00 H new ATOM 0 HG21 THR A 103 6.191 -6.779 2.419 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.841 -5.623 1.112 1.00 0.00 H new ATOM 0 HG23 THR A 103 7.526 -5.950 1.583 1.00 0.00 H new ATOM 571 N ALA A 104 5.299 -1.836 3.218 1.00 0.00 N ATOM 572 CA ALA A 104 4.831 -0.777 4.045 1.00 0.00 C ATOM 573 C ALA A 104 3.536 -1.176 4.688 1.00 0.00 C ATOM 574 O ALA A 104 2.740 -1.922 4.105 1.00 0.00 O ATOM 575 CB ALA A 104 4.638 0.485 3.230 1.00 0.00 C ATOM 0 H ALA A 104 4.585 -2.240 2.613 1.00 0.00 H new ATOM 0 HA ALA A 104 5.573 -0.579 4.819 1.00 0.00 H new ATOM 0 HB1 ALA A 104 4.280 1.285 3.878 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.588 0.778 2.783 1.00 0.00 H new ATOM 0 HB3 ALA A 104 3.907 0.301 2.442 1.00 0.00 H new ATOM 581 N ALA A 105 3.349 -0.730 5.884 1.00 0.00 N ATOM 582 CA ALA A 105 2.132 -0.950 6.589 1.00 0.00 C ATOM 583 C ALA A 105 1.230 0.209 6.286 1.00 0.00 C ATOM 584 O ALA A 105 1.595 1.370 6.521 1.00 0.00 O ATOM 585 CB ALA A 105 2.402 -1.052 8.057 1.00 0.00 C ATOM 0 H ALA A 105 4.045 -0.196 6.405 1.00 0.00 H new ATOM 0 HA ALA A 105 1.661 -1.883 6.281 1.00 0.00 H new ATOM 0 HB1 ALA A 105 1.465 -1.220 8.588 1.00 0.00 H new ATOM 0 HB2 ALA A 105 3.081 -1.884 8.245 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.857 -0.126 8.408 1.00 0.00 H new ATOM 591 N ILE A 106 0.094 -0.076 5.748 1.00 0.00 N ATOM 592 CA ILE A 106 -0.795 0.948 5.286 1.00 0.00 C ATOM 593 C ILE A 106 -2.161 0.798 5.911 1.00 0.00 C ATOM 594 O ILE A 106 -2.559 -0.298 6.277 1.00 0.00 O ATOM 595 CB ILE A 106 -0.905 0.908 3.727 1.00 0.00 C ATOM 596 CG1 ILE A 106 -1.419 -0.454 3.234 1.00 0.00 C ATOM 597 CG2 ILE A 106 0.410 1.248 3.062 1.00 0.00 C ATOM 598 CD1 ILE A 106 -2.886 -0.474 2.968 1.00 0.00 C ATOM 0 H ILE A 106 -0.251 -1.027 5.613 1.00 0.00 H new ATOM 0 HA ILE A 106 -0.387 1.913 5.586 1.00 0.00 H new ATOM 0 HB ILE A 106 -1.631 1.670 3.443 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -0.888 -0.725 2.321 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -1.182 -1.214 3.978 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.291 1.209 1.979 1.00 0.00 H new ATOM 0 HG22 ILE A 106 0.718 2.251 3.357 1.00 0.00 H new ATOM 0 HG23 ILE A 106 1.170 0.529 3.370 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -3.180 -1.465 2.623 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -3.425 -0.234 3.884 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -3.127 0.263 2.202 1.00 0.00 H new ATOM 610 N THR A 107 -2.846 1.889 6.058 1.00 0.00 N ATOM 611 CA THR A 107 -4.182 1.896 6.571 1.00 0.00 C ATOM 612 C THR A 107 -5.143 2.457 5.522 1.00 0.00 C ATOM 613 O THR A 107 -4.925 3.539 4.983 1.00 0.00 O ATOM 614 CB THR A 107 -4.250 2.709 7.866 1.00 0.00 C ATOM 615 OG1 THR A 107 -3.338 2.129 8.808 1.00 0.00 O ATOM 616 CG2 THR A 107 -5.655 2.707 8.447 1.00 0.00 C ATOM 0 H THR A 107 -2.488 2.814 5.822 1.00 0.00 H new ATOM 0 HA THR A 107 -4.481 0.873 6.798 1.00 0.00 H new ATOM 0 HB THR A 107 -3.981 3.744 7.653 1.00 0.00 H new ATOM 0 HG1 THR A 107 -3.365 2.637 9.645 1.00 0.00 H new ATOM 0 HG21 THR A 107 -5.670 3.293 9.366 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.347 3.144 7.727 1.00 0.00 H new ATOM 0 HG23 THR A 107 -5.957 1.683 8.665 1.00 0.00 H new ATOM 624 N PHE A 108 -6.175 1.699 5.231 1.00 0.00 N ATOM 625 CA PHE A 108 -7.162 2.052 4.240 1.00 0.00 C ATOM 626 C PHE A 108 -8.043 3.184 4.693 1.00 0.00 C ATOM 627 O PHE A 108 -8.750 3.072 5.707 1.00 0.00 O ATOM 628 CB PHE A 108 -7.988 0.843 3.839 1.00 0.00 C ATOM 629 CG PHE A 108 -7.215 -0.135 3.025 1.00 0.00 C ATOM 630 CD1 PHE A 108 -6.902 0.179 1.716 1.00 0.00 C ATOM 631 CD2 PHE A 108 -6.785 -1.349 3.553 1.00 0.00 C ATOM 632 CE1 PHE A 108 -6.183 -0.687 0.932 1.00 0.00 C ATOM 633 CE2 PHE A 108 -6.056 -2.224 2.773 1.00 0.00 C ATOM 634 CZ PHE A 108 -5.754 -1.893 1.456 1.00 0.00 C ATOM 0 H PHE A 108 -6.354 0.804 5.685 1.00 0.00 H new ATOM 0 HA PHE A 108 -6.621 2.402 3.361 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -8.361 0.349 4.736 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -8.858 1.174 3.272 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -7.229 1.122 1.303 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -7.022 -1.607 4.575 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -5.953 -0.428 -0.091 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -5.721 -3.164 3.185 1.00 0.00 H new ATOM 0 HZ PHE A 108 -5.185 -2.577 0.843 1.00 0.00 H new ATOM 644 N ALA A 109 -8.029 4.244 3.919 1.00 0.00 N ATOM 645 CA ALA A 109 -8.752 5.448 4.230 1.00 0.00 C ATOM 646 C ALA A 109 -10.240 5.232 4.067 1.00 0.00 C ATOM 647 O ALA A 109 -10.703 4.743 3.032 1.00 0.00 O ATOM 648 CB ALA A 109 -8.276 6.591 3.349 1.00 0.00 C ATOM 0 H ALA A 109 -7.507 4.292 3.044 1.00 0.00 H new ATOM 0 HA ALA A 109 -8.559 5.710 5.270 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -8.832 7.496 3.595 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -7.213 6.761 3.517 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -8.442 6.337 2.302 1.00 0.00 H new ATOM 654 N GLY A 110 -10.974 5.529 5.104 1.00 0.00 N ATOM 655 CA GLY A 110 -12.402 5.398 5.065 1.00 0.00 C ATOM 656 C GLY A 110 -12.868 4.134 5.732 1.00 0.00 C ATOM 657 O GLY A 110 -13.814 4.144 6.512 1.00 0.00 O ATOM 0 H GLY A 110 -10.602 5.866 5.992 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -12.859 6.257 5.556 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -12.739 5.407 4.028 1.00 0.00 H new ATOM 661 N TYR A 111 -12.204 3.048 5.434 1.00 0.00 N ATOM 662 CA TYR A 111 -12.570 1.762 5.964 1.00 0.00 C ATOM 663 C TYR A 111 -11.888 1.508 7.309 1.00 0.00 C ATOM 664 O TYR A 111 -12.506 1.015 8.242 1.00 0.00 O ATOM 665 CB TYR A 111 -12.163 0.701 4.990 1.00 0.00 C ATOM 666 CG TYR A 111 -12.628 0.928 3.567 1.00 0.00 C ATOM 667 CD1 TYR A 111 -13.909 0.588 3.165 1.00 0.00 C ATOM 668 CD2 TYR A 111 -11.756 1.439 2.615 1.00 0.00 C ATOM 669 CE1 TYR A 111 -14.309 0.748 1.852 1.00 0.00 C ATOM 670 CE2 TYR A 111 -12.143 1.611 1.309 1.00 0.00 C ATOM 671 CZ TYR A 111 -13.425 1.259 0.927 1.00 0.00 C ATOM 672 OH TYR A 111 -13.826 1.424 -0.384 1.00 0.00 O ATOM 0 H TYR A 111 -11.393 3.031 4.816 1.00 0.00 H new ATOM 0 HA TYR A 111 -13.649 1.741 6.119 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -11.076 0.623 4.993 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -12.552 -0.257 5.335 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -14.606 0.192 3.889 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -10.752 1.707 2.908 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -15.310 0.474 1.552 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -11.452 2.018 0.586 1.00 0.00 H new ATOM 0 HH TYR A 111 -13.171 1.006 -0.981 1.00 0.00 H new ATOM 682 N GLY A 112 -10.606 1.815 7.391 1.00 0.00 N ATOM 683 CA GLY A 112 -9.902 1.670 8.649 1.00 0.00 C ATOM 684 C GLY A 112 -9.133 0.360 8.816 1.00 0.00 C ATOM 685 O GLY A 112 -8.757 0.004 9.940 1.00 0.00 O ATOM 0 H GLY A 112 -10.040 2.160 6.616 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -9.202 2.499 8.753 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -10.622 1.756 9.462 1.00 0.00 H new ATOM 689 N ASN A 113 -8.875 -0.366 7.735 1.00 0.00 N ATOM 690 CA ASN A 113 -8.079 -1.602 7.871 1.00 0.00 C ATOM 691 C ASN A 113 -6.650 -1.298 7.630 1.00 0.00 C ATOM 692 O ASN A 113 -6.329 -0.256 7.082 1.00 0.00 O ATOM 693 CB ASN A 113 -8.471 -2.752 6.932 1.00 0.00 C ATOM 694 CG ASN A 113 -9.780 -3.425 7.243 1.00 0.00 C ATOM 695 OD1 ASN A 113 -10.273 -3.396 8.368 1.00 0.00 O ATOM 696 ND2 ASN A 113 -10.303 -4.107 6.276 1.00 0.00 N ATOM 0 H ASN A 113 -9.185 -0.143 6.789 1.00 0.00 H new ATOM 0 HA ASN A 113 -8.279 -1.946 8.886 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -8.513 -2.367 5.913 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -7.681 -3.503 6.957 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -11.155 -4.646 6.434 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -9.864 -4.106 5.355 1.00 0.00 H new ATOM 703 N ALA A 114 -5.803 -2.206 7.978 1.00 0.00 N ATOM 704 CA ALA A 114 -4.398 -2.029 7.811 1.00 0.00 C ATOM 705 C ALA A 114 -3.784 -3.316 7.348 1.00 0.00 C ATOM 706 O ALA A 114 -4.147 -4.386 7.841 1.00 0.00 O ATOM 707 CB ALA A 114 -3.756 -1.569 9.108 1.00 0.00 C ATOM 0 H ALA A 114 -6.067 -3.101 8.390 1.00 0.00 H new ATOM 0 HA ALA A 114 -4.224 -1.258 7.060 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -2.684 -1.440 8.958 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -4.196 -0.620 9.415 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -3.927 -2.316 9.883 1.00 0.00 H new ATOM 713 N GLU A 115 -2.900 -3.224 6.394 1.00 0.00 N ATOM 714 CA GLU A 115 -2.217 -4.376 5.900 1.00 0.00 C ATOM 715 C GLU A 115 -0.796 -4.012 5.552 1.00 0.00 C ATOM 716 O GLU A 115 -0.471 -2.826 5.388 1.00 0.00 O ATOM 717 CB GLU A 115 -2.925 -5.023 4.691 1.00 0.00 C ATOM 718 CG GLU A 115 -2.936 -4.246 3.390 1.00 0.00 C ATOM 719 CD GLU A 115 -3.323 -5.156 2.235 1.00 0.00 C ATOM 720 OE1 GLU A 115 -4.533 -5.367 1.981 1.00 0.00 O ATOM 721 OE2 GLU A 115 -2.416 -5.725 1.605 1.00 0.00 O ATOM 0 H GLU A 115 -2.637 -2.349 5.941 1.00 0.00 H new ATOM 0 HA GLU A 115 -2.223 -5.123 6.694 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -2.455 -5.988 4.503 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -3.959 -5.222 4.973 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -3.640 -3.417 3.460 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -1.952 -3.815 3.208 1.00 0.00 H new ATOM 728 N VAL A 116 0.050 -5.003 5.479 1.00 0.00 N ATOM 729 CA VAL A 116 1.421 -4.804 5.101 1.00 0.00 C ATOM 730 C VAL A 116 1.553 -5.194 3.639 1.00 0.00 C ATOM 731 O VAL A 116 1.440 -6.372 3.284 1.00 0.00 O ATOM 732 CB VAL A 116 2.390 -5.651 5.973 1.00 0.00 C ATOM 733 CG1 VAL A 116 3.838 -5.405 5.571 1.00 0.00 C ATOM 734 CG2 VAL A 116 2.192 -5.340 7.452 1.00 0.00 C ATOM 0 H VAL A 116 -0.193 -5.973 5.680 1.00 0.00 H new ATOM 0 HA VAL A 116 1.693 -3.760 5.255 1.00 0.00 H new ATOM 0 HB VAL A 116 2.161 -6.703 5.805 1.00 0.00 H new ATOM 0 HG11 VAL A 116 4.497 -6.009 6.195 1.00 0.00 H new ATOM 0 HG12 VAL A 116 3.977 -5.680 4.525 1.00 0.00 H new ATOM 0 HG13 VAL A 116 4.078 -4.350 5.704 1.00 0.00 H new ATOM 0 HG21 VAL A 116 2.879 -5.943 8.046 1.00 0.00 H new ATOM 0 HG22 VAL A 116 2.389 -4.283 7.631 1.00 0.00 H new ATOM 0 HG23 VAL A 116 1.166 -5.572 7.738 1.00 0.00 H new ATOM 744 N THR A 117 1.769 -4.226 2.812 1.00 0.00 N ATOM 745 CA THR A 117 1.798 -4.441 1.389 1.00 0.00 C ATOM 746 C THR A 117 3.089 -3.843 0.795 1.00 0.00 C ATOM 747 O THR A 117 3.593 -2.829 1.297 1.00 0.00 O ATOM 748 CB THR A 117 0.507 -3.869 0.702 1.00 0.00 C ATOM 749 OG1 THR A 117 0.385 -4.335 -0.658 1.00 0.00 O ATOM 750 CG2 THR A 117 0.500 -2.355 0.712 1.00 0.00 C ATOM 0 H THR A 117 1.931 -3.260 3.096 1.00 0.00 H new ATOM 0 HA THR A 117 1.804 -5.513 1.192 1.00 0.00 H new ATOM 0 HB THR A 117 -0.343 -4.232 1.280 1.00 0.00 H new ATOM 0 HG1 THR A 117 -0.428 -3.964 -1.059 1.00 0.00 H new ATOM 0 HG21 THR A 117 -0.407 -1.992 0.229 1.00 0.00 H new ATOM 0 HG22 THR A 117 0.531 -1.998 1.741 1.00 0.00 H new ATOM 0 HG23 THR A 117 1.372 -1.984 0.173 1.00 0.00 H new ATOM 758 N PRO A 118 3.704 -4.519 -0.193 1.00 0.00 N ATOM 759 CA PRO A 118 4.933 -4.052 -0.822 1.00 0.00 C ATOM 760 C PRO A 118 4.758 -2.707 -1.515 1.00 0.00 C ATOM 761 O PRO A 118 3.687 -2.398 -2.045 1.00 0.00 O ATOM 762 CB PRO A 118 5.259 -5.142 -1.845 1.00 0.00 C ATOM 763 CG PRO A 118 3.970 -5.809 -2.103 1.00 0.00 C ATOM 764 CD PRO A 118 3.220 -5.760 -0.810 1.00 0.00 C ATOM 0 HA PRO A 118 5.723 -3.893 -0.088 1.00 0.00 H new ATOM 0 HB2 PRO A 118 5.675 -4.717 -2.758 1.00 0.00 H new ATOM 0 HB3 PRO A 118 5.997 -5.843 -1.455 1.00 0.00 H new ATOM 0 HG2 PRO A 118 3.419 -5.301 -2.894 1.00 0.00 H new ATOM 0 HG3 PRO A 118 4.121 -6.838 -2.429 1.00 0.00 H new ATOM 0 HD2 PRO A 118 2.142 -5.737 -0.970 1.00 0.00 H new ATOM 0 HD3 PRO A 118 3.432 -6.629 -0.188 1.00 0.00 H new ATOM 772 N LEU A 119 5.812 -1.931 -1.513 1.00 0.00 N ATOM 773 CA LEU A 119 5.867 -0.607 -2.139 1.00 0.00 C ATOM 774 C LEU A 119 5.568 -0.690 -3.634 1.00 0.00 C ATOM 775 O LEU A 119 5.168 0.296 -4.253 1.00 0.00 O ATOM 776 CB LEU A 119 7.228 0.044 -1.906 1.00 0.00 C ATOM 777 CG LEU A 119 7.667 0.214 -0.450 1.00 0.00 C ATOM 778 CD1 LEU A 119 9.038 0.854 -0.370 1.00 0.00 C ATOM 779 CD2 LEU A 119 6.665 1.016 0.350 1.00 0.00 C ATOM 0 H LEU A 119 6.689 -2.199 -1.066 1.00 0.00 H new ATOM 0 HA LEU A 119 5.100 0.012 -1.674 1.00 0.00 H new ATOM 0 HB2 LEU A 119 7.982 -0.550 -2.422 1.00 0.00 H new ATOM 0 HB3 LEU A 119 7.220 1.027 -2.376 1.00 0.00 H new ATOM 0 HG LEU A 119 7.720 -0.783 -0.012 1.00 0.00 H new ATOM 0 HD11 LEU A 119 9.328 0.964 0.675 1.00 0.00 H new ATOM 0 HD12 LEU A 119 9.764 0.224 -0.883 1.00 0.00 H new ATOM 0 HD13 LEU A 119 9.010 1.835 -0.844 1.00 0.00 H new ATOM 0 HD21 LEU A 119 7.014 1.113 1.378 1.00 0.00 H new ATOM 0 HD22 LEU A 119 6.556 2.007 -0.092 1.00 0.00 H new ATOM 0 HD23 LEU A 119 5.701 0.507 0.341 1.00 0.00 H new ATOM 791 N LEU A 120 5.829 -1.852 -4.213 1.00 0.00 N ATOM 792 CA LEU A 120 5.526 -2.128 -5.617 1.00 0.00 C ATOM 793 C LEU A 120 4.019 -2.065 -5.858 1.00 0.00 C ATOM 794 O LEU A 120 3.562 -1.689 -6.934 1.00 0.00 O ATOM 795 CB LEU A 120 6.095 -3.510 -6.029 1.00 0.00 C ATOM 796 CG LEU A 120 5.315 -4.767 -5.592 1.00 0.00 C ATOM 797 CD1 LEU A 120 4.289 -5.141 -6.641 1.00 0.00 C ATOM 798 CD2 LEU A 120 6.248 -5.924 -5.323 1.00 0.00 C ATOM 0 H LEU A 120 6.259 -2.637 -3.723 1.00 0.00 H new ATOM 0 HA LEU A 120 6.001 -1.366 -6.235 1.00 0.00 H new ATOM 0 HB2 LEU A 120 6.178 -3.528 -7.116 1.00 0.00 H new ATOM 0 HB3 LEU A 120 7.107 -3.588 -5.631 1.00 0.00 H new ATOM 0 HG LEU A 120 4.795 -4.536 -4.662 1.00 0.00 H new ATOM 0 HD11 LEU A 120 3.746 -6.030 -6.319 1.00 0.00 H new ATOM 0 HD12 LEU A 120 3.588 -4.317 -6.775 1.00 0.00 H new ATOM 0 HD13 LEU A 120 4.793 -5.346 -7.586 1.00 0.00 H new ATOM 0 HD21 LEU A 120 5.669 -6.795 -5.017 1.00 0.00 H new ATOM 0 HD22 LEU A 120 6.806 -6.160 -6.229 1.00 0.00 H new ATOM 0 HD23 LEU A 120 6.943 -5.653 -4.528 1.00 0.00 H new ATOM 810 N ASN A 121 3.264 -2.430 -4.835 1.00 0.00 N ATOM 811 CA ASN A 121 1.814 -2.470 -4.905 1.00 0.00 C ATOM 812 C ASN A 121 1.228 -1.109 -4.709 1.00 0.00 C ATOM 813 O ASN A 121 0.108 -0.840 -5.154 1.00 0.00 O ATOM 814 CB ASN A 121 1.214 -3.432 -3.862 1.00 0.00 C ATOM 815 CG ASN A 121 1.173 -4.872 -4.284 1.00 0.00 C ATOM 816 OD1 ASN A 121 1.165 -5.192 -5.465 1.00 0.00 O ATOM 817 ND2 ASN A 121 1.047 -5.744 -3.326 1.00 0.00 N ATOM 0 H ASN A 121 3.642 -2.708 -3.929 1.00 0.00 H new ATOM 0 HA ASN A 121 1.562 -2.835 -5.901 1.00 0.00 H new ATOM 0 HB2 ASN A 121 1.792 -3.354 -2.941 1.00 0.00 H new ATOM 0 HB3 ASN A 121 0.200 -3.107 -3.630 1.00 0.00 H new ATOM 0 HD21 ASN A 121 0.937 -6.733 -3.548 1.00 0.00 H new ATOM 0 HD22 ASN A 121 1.059 -5.438 -2.353 1.00 0.00 H new ATOM 824 N LEU A 122 1.981 -0.248 -4.073 1.00 0.00 N ATOM 825 CA LEU A 122 1.513 1.070 -3.762 1.00 0.00 C ATOM 826 C LEU A 122 1.546 1.952 -4.979 1.00 0.00 C ATOM 827 O LEU A 122 2.536 2.000 -5.712 1.00 0.00 O ATOM 828 CB LEU A 122 2.329 1.686 -2.630 1.00 0.00 C ATOM 829 CG LEU A 122 2.269 0.965 -1.289 1.00 0.00 C ATOM 830 CD1 LEU A 122 3.073 1.719 -0.249 1.00 0.00 C ATOM 831 CD2 LEU A 122 0.830 0.799 -0.838 1.00 0.00 C ATOM 0 H LEU A 122 2.932 -0.444 -3.759 1.00 0.00 H new ATOM 0 HA LEU A 122 0.478 0.987 -3.429 1.00 0.00 H new ATOM 0 HB2 LEU A 122 3.371 1.736 -2.946 1.00 0.00 H new ATOM 0 HB3 LEU A 122 1.991 2.712 -2.483 1.00 0.00 H new ATOM 0 HG LEU A 122 2.705 -0.027 -1.408 1.00 0.00 H new ATOM 0 HD11 LEU A 122 3.021 1.192 0.704 1.00 0.00 H new ATOM 0 HD12 LEU A 122 4.112 1.785 -0.570 1.00 0.00 H new ATOM 0 HD13 LEU A 122 2.665 2.723 -0.131 1.00 0.00 H new ATOM 0 HD21 LEU A 122 0.807 0.282 0.121 1.00 0.00 H new ATOM 0 HD22 LEU A 122 0.366 1.780 -0.733 1.00 0.00 H new ATOM 0 HD23 LEU A 122 0.282 0.216 -1.578 1.00 0.00 H new ATOM 843 N LYS A 123 0.460 2.616 -5.201 1.00 0.00 N ATOM 844 CA LYS A 123 0.315 3.524 -6.310 1.00 0.00 C ATOM 845 C LYS A 123 0.159 4.917 -5.768 1.00 0.00 C ATOM 846 O LYS A 123 -0.194 5.080 -4.597 1.00 0.00 O ATOM 847 CB LYS A 123 -0.939 3.203 -7.126 1.00 0.00 C ATOM 848 CG LYS A 123 -1.100 1.781 -7.591 1.00 0.00 C ATOM 849 CD LYS A 123 -2.332 1.692 -8.458 1.00 0.00 C ATOM 850 CE LYS A 123 -2.618 0.283 -8.927 1.00 0.00 C ATOM 851 NZ LYS A 123 -3.827 0.225 -9.786 1.00 0.00 N ATOM 0 H LYS A 123 -0.370 2.548 -4.612 1.00 0.00 H new ATOM 0 HA LYS A 123 1.194 3.431 -6.948 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -1.811 3.465 -6.527 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -0.949 3.850 -8.003 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -0.220 1.465 -8.151 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -1.191 1.112 -6.736 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -3.191 2.066 -7.900 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -2.208 2.341 -9.325 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -1.760 -0.097 -9.481 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -2.754 -0.368 -8.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -3.843 -0.677 -10.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -4.678 0.299 -9.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -3.809 1.013 -10.465 1.00 0.00 H new ATOM 865 N PRO A 124 0.405 5.941 -6.582 1.00 0.00 N ATOM 866 CA PRO A 124 0.152 7.310 -6.184 1.00 0.00 C ATOM 867 C PRO A 124 -1.353 7.577 -6.179 1.00 0.00 C ATOM 868 O PRO A 124 -2.118 6.906 -6.889 1.00 0.00 O ATOM 869 CB PRO A 124 0.858 8.141 -7.265 1.00 0.00 C ATOM 870 CG PRO A 124 0.894 7.263 -8.467 1.00 0.00 C ATOM 871 CD PRO A 124 0.951 5.849 -7.958 1.00 0.00 C ATOM 0 HA PRO A 124 0.511 7.546 -5.182 1.00 0.00 H new ATOM 0 HB2 PRO A 124 0.317 9.065 -7.468 1.00 0.00 H new ATOM 0 HB3 PRO A 124 1.863 8.422 -6.952 1.00 0.00 H new ATOM 0 HG2 PRO A 124 0.011 7.417 -9.087 1.00 0.00 H new ATOM 0 HG3 PRO A 124 1.762 7.488 -9.087 1.00 0.00 H new ATOM 0 HD2 PRO A 124 0.358 5.177 -8.579 1.00 0.00 H new ATOM 0 HD3 PRO A 124 1.971 5.466 -7.958 1.00 0.00 H new ATOM 879 N VAL A 125 -1.783 8.501 -5.371 1.00 0.00 N ATOM 880 CA VAL A 125 -3.187 8.840 -5.298 1.00 0.00 C ATOM 881 C VAL A 125 -3.534 9.893 -6.326 1.00 0.00 C ATOM 882 O VAL A 125 -2.669 10.322 -7.112 1.00 0.00 O ATOM 883 CB VAL A 125 -3.609 9.343 -3.897 1.00 0.00 C ATOM 884 CG1 VAL A 125 -3.513 8.240 -2.884 1.00 0.00 C ATOM 885 CG2 VAL A 125 -2.775 10.544 -3.458 1.00 0.00 C ATOM 0 H VAL A 125 -1.183 9.040 -4.747 1.00 0.00 H new ATOM 0 HA VAL A 125 -3.735 7.920 -5.503 1.00 0.00 H new ATOM 0 HB VAL A 125 -4.648 9.665 -3.964 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -3.814 8.616 -1.906 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -4.170 7.420 -3.175 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -2.485 7.881 -2.833 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -3.099 10.870 -2.470 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -1.723 10.262 -3.420 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -2.907 11.358 -4.170 1.00 0.00 H new ATOM 895 N GLU A 126 -4.781 10.314 -6.335 1.00 0.00 N ATOM 896 CA GLU A 126 -5.216 11.359 -7.221 1.00 0.00 C ATOM 897 C GLU A 126 -4.757 12.684 -6.695 1.00 0.00 C ATOM 898 O GLU A 126 -5.474 13.387 -5.978 1.00 0.00 O ATOM 899 CB GLU A 126 -6.706 11.310 -7.435 1.00 0.00 C ATOM 900 CG GLU A 126 -7.120 10.032 -8.088 1.00 0.00 C ATOM 901 CD GLU A 126 -8.596 9.951 -8.331 1.00 0.00 C ATOM 902 OE1 GLU A 126 -9.354 9.566 -7.403 1.00 0.00 O ATOM 903 OE2 GLU A 126 -9.043 10.283 -9.442 1.00 0.00 O ATOM 0 H GLU A 126 -5.513 9.941 -5.731 1.00 0.00 H new ATOM 0 HA GLU A 126 -4.764 11.210 -8.202 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -7.216 11.413 -6.477 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -7.014 12.153 -8.053 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -6.595 9.929 -9.037 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -6.814 9.194 -7.461 1.00 0.00 H new ATOM 910 N GLU A 127 -3.539 12.958 -7.011 1.00 0.00 N ATOM 911 CA GLU A 127 -2.787 14.114 -6.545 1.00 0.00 C ATOM 912 C GLU A 127 -1.441 14.036 -7.183 1.00 0.00 C ATOM 913 O GLU A 127 -0.845 15.034 -7.583 1.00 0.00 O ATOM 914 CB GLU A 127 -2.621 14.069 -5.018 1.00 0.00 C ATOM 915 CG GLU A 127 -1.995 15.306 -4.405 1.00 0.00 C ATOM 916 CD GLU A 127 -2.910 16.486 -4.428 1.00 0.00 C ATOM 917 OE1 GLU A 127 -2.994 17.185 -5.447 1.00 0.00 O ATOM 918 OE2 GLU A 127 -3.588 16.734 -3.412 1.00 0.00 O ATOM 0 H GLU A 127 -2.995 12.361 -7.634 1.00 0.00 H new ATOM 0 HA GLU A 127 -3.307 15.036 -6.804 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -3.600 13.914 -4.566 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -2.010 13.205 -4.759 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -1.711 15.092 -3.375 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -1.080 15.550 -4.944 1.00 0.00 H new ATOM 925 N GLY A 128 -0.987 12.838 -7.282 1.00 0.00 N ATOM 926 CA GLY A 128 0.265 12.575 -7.877 1.00 0.00 C ATOM 927 C GLY A 128 1.378 12.823 -6.907 1.00 0.00 C ATOM 928 O GLY A 128 2.497 13.132 -7.329 1.00 0.00 O ATOM 929 OXT GLY A 128 1.132 12.770 -5.682 1.00 0.00 O ATOM 0 H GLY A 128 -1.480 12.010 -6.949 1.00 0.00 H new ATOM 0 HA2 GLY A 128 0.299 11.541 -8.220 1.00 0.00 H new ATOM 0 HA3 GLY A 128 0.395 13.207 -8.756 1.00 0.00 H new TER 933 GLY A 128 HETATM 934 N 2MR A1129 -16.857 -5.007 -0.932 1.00 0.00 N HETATM 935 CA 2MR A1129 -16.920 -4.008 0.111 1.00 0.00 C HETATM 936 CB 2MR A1129 -15.575 -3.879 0.842 1.00 0.00 C HETATM 937 CG 2MR A1129 -15.619 -2.916 2.003 1.00 0.00 C HETATM 938 CD 2MR A1129 -14.278 -2.789 2.671 1.00 0.00 C HETATM 939 NE 2MR A1129 -13.255 -2.408 1.723 1.00 0.00 N HETATM 940 CZ 2MR A1129 -12.023 -2.146 2.039 1.00 0.00 C HETATM 941 NH1 2MR A1129 -11.650 -2.230 3.359 1.00 0.00 N HETATM 942 CQ1 2MR A1129 -10.356 -1.999 4.018 1.00 0.00 C HETATM 943 NH2 2MR A1129 -11.177 -1.815 1.033 1.00 0.00 N HETATM 944 CQ2 2MR A1129 -9.760 -1.470 1.043 1.00 0.00 C HETATM 945 C 2MR A1129 -17.306 -2.703 -0.531 1.00 0.00 C HETATM 946 O 2MR A1129 -18.339 -2.142 -0.165 1.00 0.00 O HETATM 947 OXT 2MR A1129 -16.612 -2.266 -1.475 1.00 0.00 O HETATM 0 HQ23 2MR A1129 -9.605 -0.586 1.662 1.00 0.00 H new HETATM 0 HQ22 2MR A1129 -9.186 -2.302 1.450 1.00 0.00 H new HETATM 0 HQ21 2MR A1129 -9.429 -1.263 0.025 1.00 0.00 H new HETATM 0 HQ13 2MR A1129 -9.613 -2.686 3.612 1.00 0.00 H new HETATM 0 HQ12 2MR A1129 -10.036 -0.972 3.841 1.00 0.00 H new HETATM 0 HQ11 2MR A1129 -10.459 -2.167 5.090 1.00 0.00 H new HETATM 0 HXT 2MR A1129 -17.025 -1.454 -1.836 1.00 0.00 H new HETATM 0 HH2 2MR A1129 -11.606 -1.806 0.108 1.00 0.00 H new HETATM 0 HG3 2MR A1129 -15.945 -1.937 1.652 1.00 0.00 H new HETATM 0 HG2 2MR A1129 -16.357 -3.256 2.730 1.00 0.00 H new HETATM 0 HE 2MR A1129 -13.519 -2.340 0.740 1.00 0.00 H new HETATM 0 HD3 2MR A1129 -14.334 -2.047 3.467 1.00 0.00 H new HETATM 0 HD2 2MR A1129 -14.010 -3.737 3.138 1.00 0.00 H new HETATM 0 HB3 2MR A1129 -15.270 -4.861 1.204 1.00 0.00 H new HETATM 0 HB2 2MR A1129 -14.814 -3.550 0.134 1.00 0.00 H new HETATM 0 HA 2MR A1129 -17.658 -4.298 0.859 1.00 0.00 H new HETATM 0 H2 2MR A1129 -17.680 -5.201 -1.503 1.00 0.00 H new HETATM 0 H 2MR A1129 -15.990 -5.518 -1.097 1.00 0.00 H new