USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 982 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 62 TYR OH : rot 153:sc= -0.847 USER MOD Set 1.2: A 83 HIS : +bothHN:sc= -1.04 K(o=-1.9,f=-6.5!) USER MOD Single : A 1 MET CE :methyl -159:sc= -0.167 (180deg=-0.718) USER MOD Single : A 1 MET N :NH3+ -170:sc= 0 (180deg=-0.106) USER MOD Single : A 5 SER OG : rot 180:sc= -0.2 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= -1.01 USER MOD Single : A 11 GLN : amide:sc= -0.852 K(o=-0.85,f=-4.9!) USER MOD Single : A 14 ASN : amide:sc= -0.299 K(o=-0.3,f=-0.98) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 160:sc= 0.148 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=-0.0011) USER MOD Single : A 27 GLN : amide:sc= -0.0361 K(o=-0.036,f=-1.3!) USER MOD Single : A 28 SER OG : rot 180:sc= 0.138 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc=-0.00805 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.827 USER MOD Single : A 40 HIS : no HE2:sc= 1.01 K(o=1,f=-3.2!) USER MOD Single : A 44 THR OG1 : rot -97:sc= -0.344 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -137:sc= 0.802 (180deg=-0.345) USER MOD Single : A 52 LYS NZ :NH3+ 174:sc=-0.00967 (180deg=-0.0877) USER MOD Single : A 54 GLN : amide:sc= 0.245 X(o=0.24,f=-0.05) USER MOD Single : A 59 GLN : amide:sc= -0.473 X(o=-0.47,f=-0.88) USER MOD Single : A 64 SER OG : rot 75:sc= 0.837 USER MOD Single : A 65 LYS NZ :NH3+ 157:sc= -3.04! (180deg=-4.85!) USER MOD Single : A 68 SER OG : rot 80:sc= 1.24 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot -149:sc= -0.286 USER MOD Single : A 79 HIS : no HD1:sc= -0.927 X(o=-0.93,f=-1.4) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 59:sc= 1.33 USER MOD Single : A 88 GLN :FLIP amide:sc= -0.0228 F(o=-1.3!,f=-0.023) USER MOD Single : A 92 SER OG : rot 90:sc= 1.28 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 ASN : amide:sc= -0.958 K(o=-0.96,f=-3.2!) USER MOD Single : A 100 THR OG1 : rot 120:sc= 1.32 USER MOD Single : A 104 LYS NZ :NH3+ 136:sc= -0.32 (180deg=-1.37!) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 112 HIS : no HD1:sc= -0.388 X(o=-0.39,f=-0.19) USER MOD Single : A 113 HIS : no HE2:sc= 0.924 K(o=0.92,f=-4.9!) USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=-0.0029) USER MOD Single : A 115 HIS : no HD1:sc= -0.0248 X(o=-0.025,f=0) USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=-0.0017) USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.242 30.499 0.390 1.00 0.00 N ATOM 2 CA MET A 1 3.332 29.358 0.642 1.00 0.00 C ATOM 3 C MET A 1 3.640 28.721 1.988 1.00 0.00 C ATOM 4 O MET A 1 4.794 28.410 2.287 1.00 0.00 O ATOM 5 CB MET A 1 3.462 28.302 -0.462 1.00 0.00 C ATOM 6 CG MET A 1 3.022 28.785 -1.831 1.00 0.00 C ATOM 7 SD MET A 1 3.213 27.526 -3.113 1.00 0.00 S ATOM 8 CE MET A 1 4.980 27.238 -3.051 1.00 0.00 C ATOM 0 H1 MET A 1 3.915 31.026 -0.445 1.00 0.00 H new ATOM 0 H2 MET A 1 4.246 31.129 1.218 1.00 0.00 H new ATOM 0 H3 MET A 1 5.205 30.144 0.220 1.00 0.00 H new ATOM 0 HA MET A 1 2.311 29.740 0.648 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.501 27.977 -0.519 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.869 27.429 -0.188 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.978 29.093 -1.784 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.603 29.666 -2.104 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.309 26.793 -3.990 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.498 28.185 -2.897 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.210 26.561 -2.228 1.00 0.00 H new ATOM 20 N ILE A 2 2.616 28.537 2.806 1.00 0.00 N ATOM 21 CA ILE A 2 2.778 27.854 4.079 1.00 0.00 C ATOM 22 C ILE A 2 2.633 26.346 3.889 1.00 0.00 C ATOM 23 O ILE A 2 3.398 25.560 4.449 1.00 0.00 O ATOM 24 CB ILE A 2 1.754 28.348 5.125 1.00 0.00 C ATOM 25 CG1 ILE A 2 1.915 29.855 5.352 1.00 0.00 C ATOM 26 CG2 ILE A 2 1.914 27.588 6.435 1.00 0.00 C ATOM 27 CD1 ILE A 2 0.943 30.434 6.361 1.00 0.00 C ATOM 0 H ILE A 2 1.665 28.851 2.611 1.00 0.00 H new ATOM 0 HA ILE A 2 3.777 28.082 4.450 1.00 0.00 H new ATOM 0 HB ILE A 2 0.750 28.159 4.744 1.00 0.00 H new ATOM 0 HG12 ILE A 2 2.933 30.055 5.687 1.00 0.00 H new ATOM 0 HG13 ILE A 2 1.786 30.371 4.401 1.00 0.00 H new ATOM 0 HG21 ILE A 2 1.184 27.951 7.158 1.00 0.00 H new ATOM 0 HG22 ILE A 2 1.754 26.524 6.260 1.00 0.00 H new ATOM 0 HG23 ILE A 2 2.920 27.744 6.826 1.00 0.00 H new ATOM 0 HD11 ILE A 2 1.121 31.504 6.465 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -0.079 30.268 6.019 1.00 0.00 H new ATOM 0 HD13 ILE A 2 1.086 29.947 7.325 1.00 0.00 H new ATOM 39 N GLU A 3 1.661 25.955 3.078 1.00 0.00 N ATOM 40 CA GLU A 3 1.421 24.551 2.789 1.00 0.00 C ATOM 41 C GLU A 3 1.563 24.282 1.290 1.00 0.00 C ATOM 42 O GLU A 3 0.609 24.443 0.526 1.00 0.00 O ATOM 43 CB GLU A 3 0.025 24.149 3.271 1.00 0.00 C ATOM 44 CG GLU A 3 -0.325 22.701 2.983 1.00 0.00 C ATOM 45 CD GLU A 3 -1.797 22.408 3.169 1.00 0.00 C ATOM 46 OE1 GLU A 3 -2.617 22.976 2.412 1.00 0.00 O ATOM 47 OE2 GLU A 3 -2.142 21.595 4.052 1.00 0.00 O ATOM 0 H GLU A 3 1.023 26.596 2.606 1.00 0.00 H new ATOM 0 HA GLU A 3 2.163 23.953 3.318 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -0.043 24.324 4.345 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -0.714 24.794 2.795 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -0.037 22.458 1.960 1.00 0.00 H new ATOM 0 HG3 GLU A 3 0.256 22.054 3.640 1.00 0.00 H new ATOM 54 N PRO A 4 2.775 23.921 0.840 1.00 0.00 N ATOM 55 CA PRO A 4 3.022 23.565 -0.557 1.00 0.00 C ATOM 56 C PRO A 4 2.474 22.180 -0.890 1.00 0.00 C ATOM 57 O PRO A 4 1.774 22.002 -1.889 1.00 0.00 O ATOM 58 CB PRO A 4 4.556 23.582 -0.678 1.00 0.00 C ATOM 59 CG PRO A 4 5.064 24.137 0.614 1.00 0.00 C ATOM 60 CD PRO A 4 4.003 23.855 1.637 1.00 0.00 C ATOM 0 HA PRO A 4 2.530 24.250 -1.248 1.00 0.00 H new ATOM 0 HB2 PRO A 4 4.945 22.579 -0.852 1.00 0.00 H new ATOM 0 HB3 PRO A 4 4.874 24.197 -1.519 1.00 0.00 H new ATOM 0 HG2 PRO A 4 6.008 23.670 0.894 1.00 0.00 H new ATOM 0 HG3 PRO A 4 5.250 25.208 0.531 1.00 0.00 H new ATOM 0 HD2 PRO A 4 4.135 22.877 2.101 1.00 0.00 H new ATOM 0 HD3 PRO A 4 4.007 24.592 2.440 1.00 0.00 H new ATOM 68 N SER A 5 2.803 21.212 -0.033 1.00 0.00 N ATOM 69 CA SER A 5 2.344 19.830 -0.172 1.00 0.00 C ATOM 70 C SER A 5 2.802 19.191 -1.486 1.00 0.00 C ATOM 71 O SER A 5 3.557 19.789 -2.260 1.00 0.00 O ATOM 72 CB SER A 5 0.819 19.762 -0.056 1.00 0.00 C ATOM 73 OG SER A 5 0.386 20.189 1.225 1.00 0.00 O ATOM 0 H SER A 5 3.398 21.366 0.781 1.00 0.00 H new ATOM 0 HA SER A 5 2.796 19.260 0.639 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.364 20.387 -0.824 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.482 18.741 -0.236 1.00 0.00 H new ATOM 0 HG SER A 5 -0.591 20.138 1.274 1.00 0.00 H new ATOM 79 N LYS A 6 2.355 17.959 -1.701 1.00 0.00 N ATOM 80 CA LYS A 6 2.661 17.201 -2.903 1.00 0.00 C ATOM 81 C LYS A 6 1.853 15.909 -2.887 1.00 0.00 C ATOM 82 O LYS A 6 1.530 15.396 -1.812 1.00 0.00 O ATOM 83 CB LYS A 6 4.162 16.895 -2.988 1.00 0.00 C ATOM 84 CG LYS A 6 4.710 16.143 -1.786 1.00 0.00 C ATOM 85 CD LYS A 6 6.211 15.927 -1.901 1.00 0.00 C ATOM 86 CE LYS A 6 6.573 15.108 -3.132 1.00 0.00 C ATOM 87 NZ LYS A 6 8.044 14.956 -3.280 1.00 0.00 N ATOM 0 H LYS A 6 1.765 17.456 -1.038 1.00 0.00 H new ATOM 0 HA LYS A 6 2.394 17.791 -3.780 1.00 0.00 H new ATOM 0 HB2 LYS A 6 4.352 16.309 -3.887 1.00 0.00 H new ATOM 0 HB3 LYS A 6 4.708 17.832 -3.097 1.00 0.00 H new ATOM 0 HG2 LYS A 6 4.490 16.701 -0.876 1.00 0.00 H new ATOM 0 HG3 LYS A 6 4.208 15.179 -1.699 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.714 16.893 -1.946 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.574 15.420 -1.007 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.111 14.123 -3.062 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.166 15.589 -4.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 8.251 14.393 -4.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.482 15.895 -3.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.429 14.474 -2.443 1.00 0.00 H new ATOM 101 N ILE A 7 1.517 15.386 -4.059 1.00 0.00 N ATOM 102 CA ILE A 7 0.694 14.186 -4.136 1.00 0.00 C ATOM 103 C ILE A 7 1.519 12.935 -3.812 1.00 0.00 C ATOM 104 O ILE A 7 2.153 12.333 -4.675 1.00 0.00 O ATOM 105 CB ILE A 7 -0.021 14.055 -5.509 1.00 0.00 C ATOM 106 CG1 ILE A 7 -0.832 12.755 -5.569 1.00 0.00 C ATOM 107 CG2 ILE A 7 0.968 14.144 -6.667 1.00 0.00 C ATOM 108 CD1 ILE A 7 -1.685 12.625 -6.812 1.00 0.00 C ATOM 0 H ILE A 7 1.798 15.769 -4.961 1.00 0.00 H new ATOM 0 HA ILE A 7 -0.088 14.279 -3.382 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.710 14.893 -5.611 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.148 11.908 -5.519 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.475 12.698 -4.691 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.432 14.048 -7.611 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.479 15.106 -6.636 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.700 13.341 -6.583 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.229 11.681 -6.783 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.395 13.451 -6.854 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.047 12.649 -7.695 1.00 0.00 H new ATOM 120 N THR A 8 1.552 12.598 -2.534 1.00 0.00 N ATOM 121 CA THR A 8 2.288 11.438 -2.060 1.00 0.00 C ATOM 122 C THR A 8 1.355 10.500 -1.294 1.00 0.00 C ATOM 123 O THR A 8 0.333 10.932 -0.761 1.00 0.00 O ATOM 124 CB THR A 8 3.447 11.878 -1.144 1.00 0.00 C ATOM 125 OG1 THR A 8 4.166 12.954 -1.760 1.00 0.00 O ATOM 126 CG2 THR A 8 4.411 10.737 -0.859 1.00 0.00 C ATOM 0 H THR A 8 1.072 13.118 -1.799 1.00 0.00 H new ATOM 0 HA THR A 8 2.697 10.911 -2.922 1.00 0.00 H new ATOM 0 HB THR A 8 3.013 12.200 -0.198 1.00 0.00 H new ATOM 0 HG1 THR A 8 4.901 13.233 -1.175 1.00 0.00 H new ATOM 0 HG21 THR A 8 5.212 11.091 -0.210 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.877 9.924 -0.366 1.00 0.00 H new ATOM 0 HG23 THR A 8 4.836 10.377 -1.796 1.00 0.00 H new ATOM 134 N VAL A 9 1.712 9.226 -1.233 1.00 0.00 N ATOM 135 CA VAL A 9 0.909 8.244 -0.514 1.00 0.00 C ATOM 136 C VAL A 9 0.997 8.479 0.992 1.00 0.00 C ATOM 137 O VAL A 9 -0.017 8.503 1.687 1.00 0.00 O ATOM 138 CB VAL A 9 1.351 6.801 -0.840 1.00 0.00 C ATOM 139 CG1 VAL A 9 0.485 5.783 -0.108 1.00 0.00 C ATOM 140 CG2 VAL A 9 1.306 6.564 -2.342 1.00 0.00 C ATOM 0 H VAL A 9 2.551 8.847 -1.672 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.124 8.368 -0.840 1.00 0.00 H new ATOM 0 HB VAL A 9 2.377 6.672 -0.497 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.819 4.776 -0.356 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.571 5.939 0.967 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.555 5.905 -0.411 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.620 5.543 -2.559 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.289 6.716 -2.704 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.977 7.263 -2.841 1.00 0.00 H new ATOM 150 N GLU A 10 2.210 8.689 1.489 1.00 0.00 N ATOM 151 CA GLU A 10 2.414 8.932 2.915 1.00 0.00 C ATOM 152 C GLU A 10 1.826 10.281 3.318 1.00 0.00 C ATOM 153 O GLU A 10 1.592 10.538 4.496 1.00 0.00 O ATOM 154 CB GLU A 10 3.907 8.884 3.268 1.00 0.00 C ATOM 155 CG GLU A 10 4.709 10.051 2.710 1.00 0.00 C ATOM 156 CD GLU A 10 6.168 10.009 3.119 1.00 0.00 C ATOM 157 OE1 GLU A 10 6.490 10.432 4.250 1.00 0.00 O ATOM 158 OE2 GLU A 10 6.998 9.559 2.305 1.00 0.00 O ATOM 0 H GLU A 10 3.064 8.696 0.931 1.00 0.00 H new ATOM 0 HA GLU A 10 1.901 8.145 3.468 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.014 8.868 4.353 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.330 7.952 2.892 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.641 10.046 1.622 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.267 10.987 3.053 1.00 0.00 H new ATOM 165 N GLN A 11 1.578 11.129 2.325 1.00 0.00 N ATOM 166 CA GLN A 11 1.046 12.460 2.566 1.00 0.00 C ATOM 167 C GLN A 11 -0.364 12.357 3.131 1.00 0.00 C ATOM 168 O GLN A 11 -0.612 12.758 4.269 1.00 0.00 O ATOM 169 CB GLN A 11 1.046 13.275 1.265 1.00 0.00 C ATOM 170 CG GLN A 11 1.171 14.788 1.451 1.00 0.00 C ATOM 171 CD GLN A 11 0.030 15.407 2.238 1.00 0.00 C ATOM 172 OE1 GLN A 11 0.113 15.566 3.456 1.00 0.00 O ATOM 173 NE2 GLN A 11 -1.054 15.741 1.555 1.00 0.00 N ATOM 0 H GLN A 11 1.739 10.914 1.341 1.00 0.00 H new ATOM 0 HA GLN A 11 1.679 12.971 3.291 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.869 12.932 0.639 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.124 13.066 0.723 1.00 0.00 H new ATOM 0 HG2 GLN A 11 2.110 15.005 1.960 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.222 15.262 0.471 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.086 15.594 0.546 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -1.857 16.145 2.038 1.00 0.00 H new ATOM 182 N TRP A 12 -1.279 11.781 2.354 1.00 0.00 N ATOM 183 CA TRP A 12 -2.671 11.696 2.776 1.00 0.00 C ATOM 184 C TRP A 12 -2.832 10.689 3.914 1.00 0.00 C ATOM 185 O TRP A 12 -3.757 10.798 4.716 1.00 0.00 O ATOM 186 CB TRP A 12 -3.603 11.365 1.595 1.00 0.00 C ATOM 187 CG TRP A 12 -3.526 9.956 1.090 1.00 0.00 C ATOM 188 CD1 TRP A 12 -2.595 9.436 0.240 1.00 0.00 C ATOM 189 CD2 TRP A 12 -4.441 8.893 1.381 1.00 0.00 C ATOM 190 NE1 TRP A 12 -2.866 8.111 -0.002 1.00 0.00 N ATOM 191 CE2 TRP A 12 -3.995 7.755 0.686 1.00 0.00 C ATOM 192 CE3 TRP A 12 -5.593 8.794 2.169 1.00 0.00 C ATOM 193 CZ2 TRP A 12 -4.660 6.531 0.757 1.00 0.00 C ATOM 194 CZ3 TRP A 12 -6.251 7.581 2.237 1.00 0.00 C ATOM 195 CH2 TRP A 12 -5.784 6.464 1.534 1.00 0.00 C ATOM 0 H TRP A 12 -1.083 11.372 1.441 1.00 0.00 H new ATOM 0 HA TRP A 12 -2.965 12.676 3.151 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -4.630 11.569 1.897 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -3.372 12.041 0.772 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -1.766 9.985 -0.181 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -2.315 7.493 -0.598 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -5.961 9.650 2.714 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -4.300 5.667 0.218 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -7.141 7.493 2.843 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -6.322 5.530 1.607 1.00 0.00 H new ATOM 206 N LEU A 13 -1.916 9.726 3.996 1.00 0.00 N ATOM 207 CA LEU A 13 -1.890 8.798 5.125 1.00 0.00 C ATOM 208 C LEU A 13 -1.606 9.549 6.422 1.00 0.00 C ATOM 209 O LEU A 13 -2.266 9.335 7.436 1.00 0.00 O ATOM 210 CB LEU A 13 -0.830 7.706 4.925 1.00 0.00 C ATOM 211 CG LEU A 13 -1.357 6.330 4.497 1.00 0.00 C ATOM 212 CD1 LEU A 13 -2.403 5.828 5.481 1.00 0.00 C ATOM 213 CD2 LEU A 13 -1.930 6.381 3.092 1.00 0.00 C ATOM 0 H LEU A 13 -1.187 9.568 3.300 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.870 8.324 5.185 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.119 8.051 4.174 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.278 7.588 5.857 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.519 5.633 4.497 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.765 4.851 5.161 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.959 5.743 6.473 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.236 6.530 5.516 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.297 5.393 2.813 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.752 7.096 3.060 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.153 6.691 2.393 1.00 0.00 H new ATOM 225 N ASN A 14 -0.634 10.451 6.376 1.00 0.00 N ATOM 226 CA ASN A 14 -0.230 11.203 7.557 1.00 0.00 C ATOM 227 C ASN A 14 -1.273 12.260 7.919 1.00 0.00 C ATOM 228 O ASN A 14 -1.376 12.674 9.073 1.00 0.00 O ATOM 229 CB ASN A 14 1.148 11.830 7.325 1.00 0.00 C ATOM 230 CG ASN A 14 1.742 12.468 8.568 1.00 0.00 C ATOM 231 OD1 ASN A 14 2.376 11.797 9.378 1.00 0.00 O ATOM 232 ND2 ASN A 14 1.579 13.772 8.711 1.00 0.00 N ATOM 0 H ASN A 14 -0.110 10.680 5.532 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.160 10.520 8.404 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.830 11.063 6.959 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.068 12.584 6.542 1.00 0.00 H new ATOM 0 HD21 ASN A 14 1.986 14.252 9.514 1.00 0.00 H new ATOM 0 HD22 ASN A 14 1.046 14.298 8.019 1.00 0.00 H new ATOM 239 N ARG A 15 -2.054 12.685 6.932 1.00 0.00 N ATOM 240 CA ARG A 15 -3.195 13.563 7.187 1.00 0.00 C ATOM 241 C ARG A 15 -4.306 12.754 7.848 1.00 0.00 C ATOM 242 O ARG A 15 -4.966 13.205 8.793 1.00 0.00 O ATOM 243 CB ARG A 15 -3.720 14.180 5.883 1.00 0.00 C ATOM 244 CG ARG A 15 -2.652 14.865 5.048 1.00 0.00 C ATOM 245 CD ARG A 15 -2.071 16.088 5.738 1.00 0.00 C ATOM 246 NE ARG A 15 -2.944 17.256 5.629 1.00 0.00 N ATOM 247 CZ ARG A 15 -2.590 18.387 5.022 1.00 0.00 C ATOM 248 NH1 ARG A 15 -1.421 18.466 4.396 1.00 0.00 N ATOM 249 NH2 ARG A 15 -3.409 19.431 5.016 1.00 0.00 N ATOM 0 H ARG A 15 -1.921 12.438 5.951 1.00 0.00 H new ATOM 0 HA ARG A 15 -2.873 14.372 7.842 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.187 13.397 5.285 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.498 14.904 6.124 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.851 14.157 4.836 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -3.079 15.161 4.089 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -1.901 15.862 6.791 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -1.100 16.321 5.301 1.00 0.00 H new ATOM 0 HE ARG A 15 -3.876 17.201 6.041 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -0.795 17.661 4.381 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -1.149 19.332 3.931 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -4.316 19.370 5.478 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -3.131 20.294 4.549 1.00 0.00 H new ATOM 263 N TRP A 16 -4.490 11.541 7.338 1.00 0.00 N ATOM 264 CA TRP A 16 -5.479 10.616 7.864 1.00 0.00 C ATOM 265 C TRP A 16 -5.200 10.346 9.337 1.00 0.00 C ATOM 266 O TRP A 16 -6.128 10.246 10.134 1.00 0.00 O ATOM 267 CB TRP A 16 -5.445 9.312 7.057 1.00 0.00 C ATOM 268 CG TRP A 16 -6.692 8.487 7.168 1.00 0.00 C ATOM 269 CD1 TRP A 16 -6.954 7.506 8.077 1.00 0.00 C ATOM 270 CD2 TRP A 16 -7.841 8.559 6.315 1.00 0.00 C ATOM 271 NE1 TRP A 16 -8.200 6.974 7.852 1.00 0.00 N ATOM 272 CE2 TRP A 16 -8.764 7.602 6.776 1.00 0.00 C ATOM 273 CE3 TRP A 16 -8.179 9.344 5.210 1.00 0.00 C ATOM 274 CZ2 TRP A 16 -10.001 7.409 6.168 1.00 0.00 C ATOM 275 CZ3 TRP A 16 -9.408 9.151 4.609 1.00 0.00 C ATOM 276 CH2 TRP A 16 -10.306 8.192 5.090 1.00 0.00 C ATOM 0 H TRP A 16 -3.957 11.175 6.549 1.00 0.00 H new ATOM 0 HA TRP A 16 -6.473 11.054 7.776 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -5.274 9.552 6.008 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -4.597 8.714 7.390 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -6.280 7.193 8.860 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -8.634 6.231 8.399 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -7.493 10.088 4.833 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -10.695 6.667 6.535 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -9.680 9.751 3.753 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -11.260 8.068 4.599 1.00 0.00 H new ATOM 287 N LEU A 17 -3.913 10.262 9.686 1.00 0.00 N ATOM 288 CA LEU A 17 -3.491 10.068 11.075 1.00 0.00 C ATOM 289 C LEU A 17 -4.183 11.059 12.003 1.00 0.00 C ATOM 290 O LEU A 17 -4.787 10.667 12.994 1.00 0.00 O ATOM 291 CB LEU A 17 -1.975 10.231 11.213 1.00 0.00 C ATOM 292 CG LEU A 17 -1.128 9.270 10.380 1.00 0.00 C ATOM 293 CD1 LEU A 17 0.351 9.505 10.641 1.00 0.00 C ATOM 294 CD2 LEU A 17 -1.496 7.829 10.681 1.00 0.00 C ATOM 0 H LEU A 17 -3.142 10.326 9.021 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.774 9.054 11.359 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.711 11.252 10.937 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.708 10.105 12.262 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.331 9.461 9.326 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.941 8.813 10.040 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.610 10.529 10.373 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.565 9.342 11.697 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.881 7.162 10.077 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.325 7.623 11.738 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.548 7.665 10.445 1.00 0.00 H new ATOM 306 N THR A 18 -4.109 12.340 11.660 1.00 0.00 N ATOM 307 CA THR A 18 -4.693 13.394 12.481 1.00 0.00 C ATOM 308 C THR A 18 -6.223 13.314 12.470 1.00 0.00 C ATOM 309 O THR A 18 -6.889 13.744 13.414 1.00 0.00 O ATOM 310 CB THR A 18 -4.236 14.783 11.988 1.00 0.00 C ATOM 311 OG1 THR A 18 -2.811 14.791 11.822 1.00 0.00 O ATOM 312 CG2 THR A 18 -4.632 15.871 12.974 1.00 0.00 C ATOM 0 H THR A 18 -3.648 12.675 10.814 1.00 0.00 H new ATOM 0 HA THR A 18 -4.346 13.250 13.504 1.00 0.00 H new ATOM 0 HB THR A 18 -4.725 14.983 11.035 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.523 15.673 11.507 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.297 16.839 12.601 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.716 15.881 13.089 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.167 15.674 13.940 1.00 0.00 H new ATOM 320 N ASP A 19 -6.772 12.755 11.400 1.00 0.00 N ATOM 321 CA ASP A 19 -8.221 12.616 11.273 1.00 0.00 C ATOM 322 C ASP A 19 -8.777 11.567 12.236 1.00 0.00 C ATOM 323 O ASP A 19 -9.594 11.881 13.101 1.00 0.00 O ATOM 324 CB ASP A 19 -8.607 12.246 9.838 1.00 0.00 C ATOM 325 CG ASP A 19 -10.109 12.123 9.652 1.00 0.00 C ATOM 326 OD1 ASP A 19 -10.670 11.050 9.951 1.00 0.00 O ATOM 327 OD2 ASP A 19 -10.736 13.098 9.186 1.00 0.00 O ATOM 0 H ASP A 19 -6.241 12.391 10.609 1.00 0.00 H new ATOM 0 HA ASP A 19 -8.657 13.582 11.528 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -8.221 13.002 9.155 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -8.133 11.302 9.570 1.00 0.00 H new ATOM 332 N TYR A 20 -8.327 10.323 12.096 1.00 0.00 N ATOM 333 CA TYR A 20 -8.926 9.216 12.840 1.00 0.00 C ATOM 334 C TYR A 20 -8.171 8.913 14.134 1.00 0.00 C ATOM 335 O TYR A 20 -8.457 7.924 14.803 1.00 0.00 O ATOM 336 CB TYR A 20 -9.048 7.957 11.960 1.00 0.00 C ATOM 337 CG TYR A 20 -7.768 7.172 11.749 1.00 0.00 C ATOM 338 CD1 TYR A 20 -6.568 7.806 11.480 1.00 0.00 C ATOM 339 CD2 TYR A 20 -7.778 5.784 11.793 1.00 0.00 C ATOM 340 CE1 TYR A 20 -5.412 7.089 11.264 1.00 0.00 C ATOM 341 CE2 TYR A 20 -6.623 5.058 11.582 1.00 0.00 C ATOM 342 CZ TYR A 20 -5.443 5.716 11.317 1.00 0.00 C ATOM 343 OH TYR A 20 -4.290 4.996 11.100 1.00 0.00 O ATOM 0 H TYR A 20 -7.558 10.056 11.481 1.00 0.00 H new ATOM 0 HA TYR A 20 -9.930 9.530 13.124 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -9.789 7.294 12.408 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -9.434 8.254 10.985 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -6.537 8.885 11.439 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -8.703 5.265 11.995 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -4.486 7.603 11.054 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -6.645 3.979 11.625 1.00 0.00 H new ATOM 0 HH TYR A 20 -4.389 4.098 11.479 1.00 0.00 H new ATOM 353 N ALA A 21 -7.202 9.762 14.479 1.00 0.00 N ATOM 354 CA ALA A 21 -6.482 9.636 15.750 1.00 0.00 C ATOM 355 C ALA A 21 -7.452 9.656 16.926 1.00 0.00 C ATOM 356 O ALA A 21 -7.191 9.068 17.977 1.00 0.00 O ATOM 357 CB ALA A 21 -5.467 10.757 15.900 1.00 0.00 C ATOM 0 H ALA A 21 -6.897 10.543 13.898 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.957 8.681 15.746 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.942 10.648 16.849 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.750 10.710 15.081 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.981 11.718 15.878 1.00 0.00 H new ATOM 363 N LYS A 22 -8.566 10.346 16.739 1.00 0.00 N ATOM 364 CA LYS A 22 -9.615 10.399 17.739 1.00 0.00 C ATOM 365 C LYS A 22 -10.977 10.200 17.072 1.00 0.00 C ATOM 366 O LYS A 22 -11.689 11.161 16.773 1.00 0.00 O ATOM 367 CB LYS A 22 -9.548 11.722 18.515 1.00 0.00 C ATOM 368 CG LYS A 22 -9.454 12.953 17.625 1.00 0.00 C ATOM 369 CD LYS A 22 -9.227 14.223 18.433 1.00 0.00 C ATOM 370 CE LYS A 22 -7.859 14.235 19.096 1.00 0.00 C ATOM 371 NZ LYS A 22 -7.558 15.547 19.732 1.00 0.00 N ATOM 0 H LYS A 22 -8.766 10.881 15.894 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.472 9.593 18.458 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -10.433 11.808 19.145 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.684 11.699 19.180 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -8.638 12.825 16.914 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.371 13.052 17.044 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.322 15.091 17.780 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -10.001 14.312 19.195 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -7.815 13.448 19.849 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -7.094 14.008 18.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -6.616 15.512 20.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -7.575 16.295 19.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -8.272 15.752 20.459 1.00 0.00 H new ATOM 385 N PRO A 23 -11.336 8.938 16.796 1.00 0.00 N ATOM 386 CA PRO A 23 -12.558 8.594 16.081 1.00 0.00 C ATOM 387 C PRO A 23 -13.739 8.372 17.019 1.00 0.00 C ATOM 388 O PRO A 23 -13.795 8.943 18.109 1.00 0.00 O ATOM 389 CB PRO A 23 -12.165 7.289 15.395 1.00 0.00 C ATOM 390 CG PRO A 23 -11.218 6.629 16.346 1.00 0.00 C ATOM 391 CD PRO A 23 -10.576 7.727 17.167 1.00 0.00 C ATOM 0 HA PRO A 23 -12.889 9.382 15.405 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -13.037 6.663 15.206 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -11.692 7.476 14.431 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -11.746 5.925 16.989 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -10.462 6.060 15.805 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -10.648 7.522 18.235 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -9.517 7.833 16.934 1.00 0.00 H new ATOM 399 N HIS A 24 -14.687 7.548 16.589 1.00 0.00 N ATOM 400 CA HIS A 24 -15.840 7.229 17.412 1.00 0.00 C ATOM 401 C HIS A 24 -16.039 5.721 17.499 1.00 0.00 C ATOM 402 O HIS A 24 -15.925 5.013 16.494 1.00 0.00 O ATOM 403 CB HIS A 24 -17.115 7.915 16.884 1.00 0.00 C ATOM 404 CG HIS A 24 -17.474 7.587 15.460 1.00 0.00 C ATOM 405 ND1 HIS A 24 -17.100 8.373 14.392 1.00 0.00 N ATOM 406 CD2 HIS A 24 -18.191 6.564 14.934 1.00 0.00 C ATOM 407 CE1 HIS A 24 -17.569 7.847 13.275 1.00 0.00 C ATOM 408 NE2 HIS A 24 -18.234 6.751 13.574 1.00 0.00 N ATOM 0 H HIS A 24 -14.678 7.091 15.677 1.00 0.00 H new ATOM 0 HA HIS A 24 -15.647 7.611 18.414 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -17.951 7.637 17.526 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -16.991 8.994 16.972 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -18.645 5.752 15.483 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -17.430 8.249 12.282 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -18.704 6.141 12.905 1.00 0.00 H new ATOM 417 N LEU A 25 -16.310 5.251 18.714 1.00 0.00 N ATOM 418 CA LEU A 25 -16.582 3.840 18.989 1.00 0.00 C ATOM 419 C LEU A 25 -15.346 2.960 18.815 1.00 0.00 C ATOM 420 O LEU A 25 -14.696 2.608 19.802 1.00 0.00 O ATOM 421 CB LEU A 25 -17.734 3.312 18.125 1.00 0.00 C ATOM 422 CG LEU A 25 -19.123 3.820 18.515 1.00 0.00 C ATOM 423 CD1 LEU A 25 -20.171 3.280 17.561 1.00 0.00 C ATOM 424 CD2 LEU A 25 -19.451 3.418 19.947 1.00 0.00 C ATOM 0 H LEU A 25 -16.348 5.843 19.544 1.00 0.00 H new ATOM 0 HA LEU A 25 -16.878 3.787 20.037 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -17.543 3.584 17.087 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -17.735 2.223 18.174 1.00 0.00 H new ATOM 0 HG LEU A 25 -19.125 4.908 18.451 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -21.154 3.651 17.852 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -19.945 3.610 16.547 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -20.169 2.191 17.597 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -20.442 3.786 20.210 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -19.433 2.332 20.033 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -18.713 3.848 20.624 1.00 0.00 H new ATOM 436 N ARG A 26 -15.010 2.619 17.572 1.00 0.00 N ATOM 437 CA ARG A 26 -13.969 1.624 17.318 1.00 0.00 C ATOM 438 C ARG A 26 -12.590 2.126 17.747 1.00 0.00 C ATOM 439 O ARG A 26 -12.081 3.127 17.235 1.00 0.00 O ATOM 440 CB ARG A 26 -13.941 1.186 15.842 1.00 0.00 C ATOM 441 CG ARG A 26 -13.559 2.276 14.846 1.00 0.00 C ATOM 442 CD ARG A 26 -13.314 1.682 13.465 1.00 0.00 C ATOM 443 NE ARG A 26 -12.839 2.668 12.489 1.00 0.00 N ATOM 444 CZ ARG A 26 -11.775 2.480 11.700 1.00 0.00 C ATOM 445 NH1 ARG A 26 -11.018 1.397 11.844 1.00 0.00 N ATOM 446 NH2 ARG A 26 -11.467 3.378 10.770 1.00 0.00 N ATOM 0 H ARG A 26 -15.438 3.012 16.733 1.00 0.00 H new ATOM 0 HA ARG A 26 -14.219 0.753 17.924 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -13.238 0.360 15.739 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -14.926 0.802 15.575 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -14.354 3.020 14.791 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -12.662 2.792 15.190 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -12.582 0.879 13.547 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -14.238 1.235 13.100 1.00 0.00 H new ATOM 0 HE ARG A 26 -13.349 3.548 12.407 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -11.247 0.706 12.558 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -10.208 1.257 11.240 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -12.042 4.213 10.657 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -10.655 3.233 10.170 1.00 0.00 H new ATOM 460 N GLN A 27 -12.000 1.432 18.708 1.00 0.00 N ATOM 461 CA GLN A 27 -10.654 1.747 19.152 1.00 0.00 C ATOM 462 C GLN A 27 -9.782 0.501 19.100 1.00 0.00 C ATOM 463 O GLN A 27 -10.259 -0.612 19.335 1.00 0.00 O ATOM 464 CB GLN A 27 -10.653 2.323 20.571 1.00 0.00 C ATOM 465 CG GLN A 27 -11.152 1.362 21.634 1.00 0.00 C ATOM 466 CD GLN A 27 -10.831 1.839 23.035 1.00 0.00 C ATOM 467 OE1 GLN A 27 -9.837 2.534 23.254 1.00 0.00 O ATOM 468 NE2 GLN A 27 -11.653 1.459 23.997 1.00 0.00 N ATOM 0 H GLN A 27 -12.433 0.647 19.194 1.00 0.00 H new ATOM 0 HA GLN A 27 -10.249 2.503 18.480 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -9.639 2.633 20.824 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -11.273 3.219 20.588 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -12.230 1.239 21.532 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -10.703 0.382 21.474 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -12.466 0.884 23.776 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -11.475 1.741 24.961 1.00 0.00 H new ATOM 477 N SER A 28 -8.516 0.703 18.774 1.00 0.00 N ATOM 478 CA SER A 28 -7.537 -0.370 18.686 1.00 0.00 C ATOM 479 C SER A 28 -6.230 0.240 18.203 1.00 0.00 C ATOM 480 O SER A 28 -6.079 1.462 18.231 1.00 0.00 O ATOM 481 CB SER A 28 -8.008 -1.467 17.719 1.00 0.00 C ATOM 482 OG SER A 28 -7.260 -2.662 17.891 1.00 0.00 O ATOM 0 H SER A 28 -8.135 1.625 18.561 1.00 0.00 H new ATOM 0 HA SER A 28 -7.405 -0.837 19.662 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.066 -1.671 17.884 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.907 -1.117 16.692 1.00 0.00 H new ATOM 0 HG SER A 28 -7.582 -3.343 17.264 1.00 0.00 H new ATOM 488 N THR A 29 -5.292 -0.584 17.772 1.00 0.00 N ATOM 489 CA THR A 29 -4.072 -0.072 17.183 1.00 0.00 C ATOM 490 C THR A 29 -4.350 0.353 15.742 1.00 0.00 C ATOM 491 O THR A 29 -4.251 -0.446 14.809 1.00 0.00 O ATOM 492 CB THR A 29 -2.939 -1.116 17.226 1.00 0.00 C ATOM 493 OG1 THR A 29 -2.866 -1.702 18.534 1.00 0.00 O ATOM 494 CG2 THR A 29 -1.602 -0.469 16.887 1.00 0.00 C ATOM 0 H THR A 29 -5.352 -1.601 17.819 1.00 0.00 H new ATOM 0 HA THR A 29 -3.741 0.789 17.764 1.00 0.00 H new ATOM 0 HB THR A 29 -3.155 -1.890 16.489 1.00 0.00 H new ATOM 0 HG1 THR A 29 -2.145 -2.366 18.555 1.00 0.00 H new ATOM 0 HG21 THR A 29 -0.814 -1.222 16.922 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.649 -0.040 15.886 1.00 0.00 H new ATOM 0 HG23 THR A 29 -1.385 0.318 17.609 1.00 0.00 H new ATOM 502 N TRP A 30 -4.745 1.608 15.577 1.00 0.00 N ATOM 503 CA TRP A 30 -5.141 2.128 14.277 1.00 0.00 C ATOM 504 C TRP A 30 -3.946 2.208 13.331 1.00 0.00 C ATOM 505 O TRP A 30 -4.080 2.025 12.121 1.00 0.00 O ATOM 506 CB TRP A 30 -5.758 3.520 14.429 1.00 0.00 C ATOM 507 CG TRP A 30 -6.900 3.597 15.400 1.00 0.00 C ATOM 508 CD1 TRP A 30 -8.165 3.108 15.230 1.00 0.00 C ATOM 509 CD2 TRP A 30 -6.882 4.223 16.690 1.00 0.00 C ATOM 510 NE1 TRP A 30 -8.930 3.385 16.340 1.00 0.00 N ATOM 511 CE2 TRP A 30 -8.164 4.069 17.249 1.00 0.00 C ATOM 512 CE3 TRP A 30 -5.902 4.895 17.429 1.00 0.00 C ATOM 513 CZ2 TRP A 30 -8.491 4.564 18.511 1.00 0.00 C ATOM 514 CZ3 TRP A 30 -6.229 5.387 18.680 1.00 0.00 C ATOM 515 CH2 TRP A 30 -7.514 5.218 19.211 1.00 0.00 C ATOM 0 H TRP A 30 -4.800 2.289 16.334 1.00 0.00 H new ATOM 0 HA TRP A 30 -5.878 1.444 13.855 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -4.981 4.214 14.748 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -6.106 3.857 13.452 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -8.513 2.582 14.354 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -9.908 3.124 16.466 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -4.907 5.027 17.030 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -9.482 4.436 18.922 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -5.481 5.910 19.257 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -7.738 5.611 20.192 1.00 0.00 H new ATOM 526 N GLU A 31 -2.771 2.461 13.894 1.00 0.00 N ATOM 527 CA GLU A 31 -1.570 2.689 13.097 1.00 0.00 C ATOM 528 C GLU A 31 -1.035 1.383 12.497 1.00 0.00 C ATOM 529 O GLU A 31 -0.074 1.395 11.726 1.00 0.00 O ATOM 530 CB GLU A 31 -0.503 3.377 13.954 1.00 0.00 C ATOM 531 CG GLU A 31 0.632 3.986 13.150 1.00 0.00 C ATOM 532 CD GLU A 31 1.652 4.688 14.021 1.00 0.00 C ATOM 533 OE1 GLU A 31 2.461 3.995 14.676 1.00 0.00 O ATOM 534 OE2 GLU A 31 1.644 5.935 14.061 1.00 0.00 O ATOM 0 H GLU A 31 -2.623 2.514 14.902 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.830 3.341 12.263 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.976 4.160 14.547 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -0.090 2.651 14.655 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.127 3.202 12.577 1.00 0.00 H new ATOM 0 HG3 GLU A 31 0.223 4.696 12.432 1.00 0.00 H new ATOM 541 N SER A 32 -1.677 0.263 12.821 1.00 0.00 N ATOM 542 CA SER A 32 -1.273 -1.034 12.284 1.00 0.00 C ATOM 543 C SER A 32 -1.350 -1.051 10.757 1.00 0.00 C ATOM 544 O SER A 32 -0.623 -1.794 10.100 1.00 0.00 O ATOM 545 CB SER A 32 -2.156 -2.147 12.853 1.00 0.00 C ATOM 546 OG SER A 32 -1.998 -2.261 14.257 1.00 0.00 O ATOM 0 H SER A 32 -2.478 0.227 13.452 1.00 0.00 H new ATOM 0 HA SER A 32 -0.238 -1.205 12.581 1.00 0.00 H new ATOM 0 HB2 SER A 32 -3.200 -1.942 12.618 1.00 0.00 H new ATOM 0 HB3 SER A 32 -1.902 -3.095 12.378 1.00 0.00 H new ATOM 0 HG SER A 32 -2.575 -2.978 14.594 1.00 0.00 H new ATOM 552 N TYR A 33 -2.234 -0.233 10.203 1.00 0.00 N ATOM 553 CA TYR A 33 -2.407 -0.147 8.755 1.00 0.00 C ATOM 554 C TYR A 33 -1.375 0.793 8.147 1.00 0.00 C ATOM 555 O TYR A 33 -0.876 0.568 7.048 1.00 0.00 O ATOM 556 CB TYR A 33 -3.809 0.375 8.417 1.00 0.00 C ATOM 557 CG TYR A 33 -4.948 -0.463 8.963 1.00 0.00 C ATOM 558 CD1 TYR A 33 -5.357 -0.349 10.287 1.00 0.00 C ATOM 559 CD2 TYR A 33 -5.624 -1.356 8.145 1.00 0.00 C ATOM 560 CE1 TYR A 33 -6.405 -1.103 10.779 1.00 0.00 C ATOM 561 CE2 TYR A 33 -6.672 -2.115 8.629 1.00 0.00 C ATOM 562 CZ TYR A 33 -7.060 -1.985 9.945 1.00 0.00 C ATOM 563 OH TYR A 33 -8.108 -2.739 10.427 1.00 0.00 O ATOM 0 H TYR A 33 -2.847 0.385 10.736 1.00 0.00 H new ATOM 0 HA TYR A 33 -2.276 -1.147 8.342 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -3.906 1.390 8.802 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -3.908 0.435 7.333 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -4.846 0.341 10.942 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -5.326 -1.460 7.112 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -6.709 -1.002 11.810 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -7.185 -2.808 7.978 1.00 0.00 H new ATOM 0 HH TYR A 33 -8.459 -3.308 9.710 1.00 0.00 H new ATOM 573 N GLU A 34 -1.047 1.838 8.886 1.00 0.00 N ATOM 574 CA GLU A 34 -0.231 2.922 8.368 1.00 0.00 C ATOM 575 C GLU A 34 1.253 2.547 8.378 1.00 0.00 C ATOM 576 O GLU A 34 1.948 2.707 7.372 1.00 0.00 O ATOM 577 CB GLU A 34 -0.498 4.178 9.207 1.00 0.00 C ATOM 578 CG GLU A 34 -0.183 5.489 8.506 1.00 0.00 C ATOM 579 CD GLU A 34 1.291 5.803 8.468 1.00 0.00 C ATOM 580 OE1 GLU A 34 1.876 6.067 9.540 1.00 0.00 O ATOM 581 OE2 GLU A 34 1.871 5.792 7.370 1.00 0.00 O ATOM 0 H GLU A 34 -1.337 1.959 9.856 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.497 3.119 7.330 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.547 4.184 9.504 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.092 4.120 10.121 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.566 5.449 7.486 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.708 6.299 9.012 1.00 0.00 H new ATOM 588 N THR A 35 1.722 2.015 9.506 1.00 0.00 N ATOM 589 CA THR A 35 3.134 1.680 9.675 1.00 0.00 C ATOM 590 C THR A 35 3.625 0.712 8.602 1.00 0.00 C ATOM 591 O THR A 35 4.626 0.973 7.934 1.00 0.00 O ATOM 592 CB THR A 35 3.393 1.073 11.067 1.00 0.00 C ATOM 593 OG1 THR A 35 2.977 1.998 12.077 1.00 0.00 O ATOM 594 CG2 THR A 35 4.866 0.739 11.256 1.00 0.00 C ATOM 0 H THR A 35 1.142 1.806 10.319 1.00 0.00 H new ATOM 0 HA THR A 35 3.690 2.612 9.576 1.00 0.00 H new ATOM 0 HB THR A 35 2.820 0.149 11.150 1.00 0.00 H new ATOM 0 HG1 THR A 35 3.140 1.611 12.962 1.00 0.00 H new ATOM 0 HG21 THR A 35 5.018 0.312 12.247 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.176 0.018 10.499 1.00 0.00 H new ATOM 0 HG23 THR A 35 5.461 1.647 11.157 1.00 0.00 H new ATOM 602 N VAL A 36 2.910 -0.392 8.425 1.00 0.00 N ATOM 603 CA VAL A 36 3.313 -1.414 7.467 1.00 0.00 C ATOM 604 C VAL A 36 3.389 -0.852 6.051 1.00 0.00 C ATOM 605 O VAL A 36 4.300 -1.198 5.286 1.00 0.00 O ATOM 606 CB VAL A 36 2.368 -2.634 7.498 1.00 0.00 C ATOM 607 CG1 VAL A 36 2.541 -3.402 8.795 1.00 0.00 C ATOM 608 CG2 VAL A 36 0.919 -2.208 7.326 1.00 0.00 C ATOM 0 H VAL A 36 2.050 -0.602 8.931 1.00 0.00 H new ATOM 0 HA VAL A 36 4.308 -1.745 7.765 1.00 0.00 H new ATOM 0 HB VAL A 36 2.630 -3.286 6.665 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.868 -4.260 8.803 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.571 -3.748 8.878 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.308 -2.751 9.637 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.276 -3.088 7.352 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.641 -1.531 8.134 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.800 -1.700 6.369 1.00 0.00 H new ATOM 618 N LEU A 37 2.456 0.030 5.720 1.00 0.00 N ATOM 619 CA LEU A 37 2.432 0.665 4.413 1.00 0.00 C ATOM 620 C LEU A 37 3.657 1.544 4.217 1.00 0.00 C ATOM 621 O LEU A 37 4.493 1.257 3.365 1.00 0.00 O ATOM 622 CB LEU A 37 1.157 1.494 4.232 1.00 0.00 C ATOM 623 CG LEU A 37 0.060 0.831 3.391 1.00 0.00 C ATOM 624 CD1 LEU A 37 -0.398 -0.478 4.018 1.00 0.00 C ATOM 625 CD2 LEU A 37 -1.117 1.780 3.209 1.00 0.00 C ATOM 0 H LEU A 37 1.703 0.322 6.343 1.00 0.00 H new ATOM 0 HA LEU A 37 2.444 -0.123 3.660 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.749 1.723 5.217 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.423 2.444 3.769 1.00 0.00 H new ATOM 0 HG LEU A 37 0.478 0.603 2.410 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.176 -0.925 3.399 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.447 -1.163 4.089 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.793 -0.285 5.015 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.887 1.294 2.610 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.528 2.042 4.184 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.780 2.685 2.703 1.00 0.00 H new ATOM 637 N ARG A 38 3.788 2.589 5.029 1.00 0.00 N ATOM 638 CA ARG A 38 4.865 3.555 4.839 1.00 0.00 C ATOM 639 C ARG A 38 6.228 2.879 4.932 1.00 0.00 C ATOM 640 O ARG A 38 7.120 3.169 4.140 1.00 0.00 O ATOM 641 CB ARG A 38 4.751 4.721 5.831 1.00 0.00 C ATOM 642 CG ARG A 38 5.098 4.376 7.268 1.00 0.00 C ATOM 643 CD ARG A 38 4.805 5.540 8.200 1.00 0.00 C ATOM 644 NE ARG A 38 5.446 6.786 7.764 1.00 0.00 N ATOM 645 CZ ARG A 38 4.777 7.920 7.526 1.00 0.00 C ATOM 646 NH1 ARG A 38 3.449 7.937 7.585 1.00 0.00 N ATOM 647 NH2 ARG A 38 5.434 9.025 7.188 1.00 0.00 N ATOM 0 H ARG A 38 3.170 2.787 5.816 1.00 0.00 H new ATOM 0 HA ARG A 38 4.767 3.970 3.836 1.00 0.00 H new ATOM 0 HB2 ARG A 38 5.405 5.527 5.498 1.00 0.00 H new ATOM 0 HB3 ARG A 38 3.731 5.105 5.801 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.527 3.502 7.583 1.00 0.00 H new ATOM 0 HG3 ARG A 38 6.153 4.109 7.336 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.727 5.691 8.259 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.147 5.292 9.205 1.00 0.00 H new ATOM 0 HE ARG A 38 6.458 6.788 7.635 1.00 0.00 H new ATOM 0 HH11 ARG A 38 2.938 7.084 7.812 1.00 0.00 H new ATOM 0 HH12 ARG A 38 2.941 8.803 7.403 1.00 0.00 H new ATOM 0 HH21 ARG A 38 6.451 9.010 7.109 1.00 0.00 H new ATOM 0 HH22 ARG A 38 4.921 9.888 7.007 1.00 0.00 H new ATOM 661 N LEU A 39 6.362 1.938 5.858 1.00 0.00 N ATOM 662 CA LEU A 39 7.623 1.243 6.072 1.00 0.00 C ATOM 663 C LEU A 39 8.057 0.471 4.824 1.00 0.00 C ATOM 664 O LEU A 39 9.237 0.459 4.470 1.00 0.00 O ATOM 665 CB LEU A 39 7.494 0.283 7.259 1.00 0.00 C ATOM 666 CG LEU A 39 8.773 -0.461 7.647 1.00 0.00 C ATOM 667 CD1 LEU A 39 9.834 0.514 8.135 1.00 0.00 C ATOM 668 CD2 LEU A 39 8.472 -1.503 8.711 1.00 0.00 C ATOM 0 H LEU A 39 5.608 1.638 6.476 1.00 0.00 H new ATOM 0 HA LEU A 39 8.386 1.991 6.287 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.146 0.848 8.124 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.723 -0.452 7.027 1.00 0.00 H new ATOM 0 HG LEU A 39 9.161 -0.969 6.764 1.00 0.00 H new ATOM 0 HD11 LEU A 39 10.736 -0.035 8.406 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.067 1.225 7.342 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.461 1.052 9.007 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.390 -2.026 8.979 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.063 -1.013 9.595 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.747 -2.219 8.324 1.00 0.00 H new ATOM 680 N HIS A 40 7.105 -0.172 4.157 1.00 0.00 N ATOM 681 CA HIS A 40 7.437 -1.046 3.035 1.00 0.00 C ATOM 682 C HIS A 40 7.196 -0.394 1.678 1.00 0.00 C ATOM 683 O HIS A 40 8.086 -0.366 0.828 1.00 0.00 O ATOM 684 CB HIS A 40 6.650 -2.352 3.126 1.00 0.00 C ATOM 685 CG HIS A 40 6.996 -3.172 4.327 1.00 0.00 C ATOM 686 ND1 HIS A 40 6.232 -3.184 5.472 1.00 0.00 N ATOM 687 CD2 HIS A 40 8.031 -4.012 4.558 1.00 0.00 C ATOM 688 CE1 HIS A 40 6.783 -3.996 6.356 1.00 0.00 C ATOM 689 NE2 HIS A 40 7.874 -4.512 5.826 1.00 0.00 N ATOM 0 H HIS A 40 6.109 -0.107 4.369 1.00 0.00 H new ATOM 0 HA HIS A 40 8.505 -1.249 3.109 1.00 0.00 H new ATOM 0 HB2 HIS A 40 5.584 -2.125 3.146 1.00 0.00 H new ATOM 0 HB3 HIS A 40 6.834 -2.941 2.228 1.00 0.00 H new ATOM 0 HD1 HIS A 40 5.375 -2.650 5.615 1.00 0.00 H new ATOM 0 HD2 HIS A 40 8.832 -4.246 3.872 1.00 0.00 H new ATOM 0 HE1 HIS A 40 6.404 -4.202 7.346 1.00 0.00 H new ATOM 698 N VAL A 41 6.003 0.140 1.471 1.00 0.00 N ATOM 699 CA VAL A 41 5.598 0.561 0.139 1.00 0.00 C ATOM 700 C VAL A 41 5.825 2.051 -0.099 1.00 0.00 C ATOM 701 O VAL A 41 5.730 2.508 -1.229 1.00 0.00 O ATOM 702 CB VAL A 41 4.120 0.209 -0.159 1.00 0.00 C ATOM 703 CG1 VAL A 41 3.864 -1.268 0.082 1.00 0.00 C ATOM 704 CG2 VAL A 41 3.164 1.065 0.658 1.00 0.00 C ATOM 0 H VAL A 41 5.305 0.291 2.199 1.00 0.00 H new ATOM 0 HA VAL A 41 6.236 0.005 -0.548 1.00 0.00 H new ATOM 0 HB VAL A 41 3.933 0.425 -1.211 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.820 -1.496 -0.133 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.506 -1.860 -0.570 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.082 -1.510 1.122 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.136 0.789 0.422 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.348 0.904 1.720 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.322 2.117 0.418 1.00 0.00 H new ATOM 714 N ILE A 42 6.139 2.813 0.946 1.00 0.00 N ATOM 715 CA ILE A 42 6.363 4.247 0.770 1.00 0.00 C ATOM 716 C ILE A 42 7.747 4.558 0.165 1.00 0.00 C ATOM 717 O ILE A 42 7.836 5.385 -0.744 1.00 0.00 O ATOM 718 CB ILE A 42 6.113 5.049 2.078 1.00 0.00 C ATOM 719 CG1 ILE A 42 4.701 5.656 2.065 1.00 0.00 C ATOM 720 CG2 ILE A 42 7.151 6.151 2.281 1.00 0.00 C ATOM 721 CD1 ILE A 42 3.595 4.662 1.767 1.00 0.00 C ATOM 0 H ILE A 42 6.242 2.473 1.902 1.00 0.00 H new ATOM 0 HA ILE A 42 5.621 4.582 0.045 1.00 0.00 H new ATOM 0 HB ILE A 42 6.204 4.352 2.911 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.508 6.117 3.034 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.668 6.452 1.321 1.00 0.00 H new ATOM 0 HG21 ILE A 42 6.938 6.686 3.207 1.00 0.00 H new ATOM 0 HG22 ILE A 42 8.145 5.708 2.339 1.00 0.00 H new ATOM 0 HG23 ILE A 42 7.112 6.847 1.443 1.00 0.00 H new ATOM 0 HD11 ILE A 42 2.633 5.174 1.777 1.00 0.00 H new ATOM 0 HD12 ILE A 42 3.759 4.218 0.785 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.597 3.878 2.524 1.00 0.00 H new ATOM 733 N PRO A 43 8.845 3.906 0.617 1.00 0.00 N ATOM 734 CA PRO A 43 10.173 4.113 0.016 1.00 0.00 C ATOM 735 C PRO A 43 10.229 3.633 -1.434 1.00 0.00 C ATOM 736 O PRO A 43 11.151 3.964 -2.178 1.00 0.00 O ATOM 737 CB PRO A 43 11.112 3.270 0.892 1.00 0.00 C ATOM 738 CG PRO A 43 10.349 3.020 2.147 1.00 0.00 C ATOM 739 CD PRO A 43 8.910 2.956 1.741 1.00 0.00 C ATOM 0 HA PRO A 43 10.440 5.169 -0.015 1.00 0.00 H new ATOM 0 HB2 PRO A 43 11.378 2.335 0.399 1.00 0.00 H new ATOM 0 HB3 PRO A 43 12.043 3.799 1.095 1.00 0.00 H new ATOM 0 HG2 PRO A 43 10.665 2.089 2.618 1.00 0.00 H new ATOM 0 HG3 PRO A 43 10.516 3.817 2.872 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.620 1.950 1.438 1.00 0.00 H new ATOM 0 HD3 PRO A 43 8.247 3.247 2.555 1.00 0.00 H new ATOM 747 N THR A 44 9.232 2.854 -1.831 1.00 0.00 N ATOM 748 CA THR A 44 9.176 2.305 -3.172 1.00 0.00 C ATOM 749 C THR A 44 8.114 3.003 -4.025 1.00 0.00 C ATOM 750 O THR A 44 8.436 3.724 -4.967 1.00 0.00 O ATOM 751 CB THR A 44 8.885 0.795 -3.120 1.00 0.00 C ATOM 752 OG1 THR A 44 7.853 0.537 -2.156 1.00 0.00 O ATOM 753 CG2 THR A 44 10.138 0.012 -2.754 1.00 0.00 C ATOM 0 H THR A 44 8.447 2.589 -1.236 1.00 0.00 H new ATOM 0 HA THR A 44 10.149 2.474 -3.634 1.00 0.00 H new ATOM 0 HB THR A 44 8.555 0.472 -4.107 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.259 0.268 -1.306 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.906 -1.053 -2.724 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.912 0.194 -3.500 1.00 0.00 H new ATOM 0 HG23 THR A 44 10.495 0.333 -1.776 1.00 0.00 H new ATOM 761 N LEU A 45 6.851 2.808 -3.666 1.00 0.00 N ATOM 762 CA LEU A 45 5.736 3.308 -4.465 1.00 0.00 C ATOM 763 C LEU A 45 5.083 4.521 -3.805 1.00 0.00 C ATOM 764 O LEU A 45 4.151 5.110 -4.349 1.00 0.00 O ATOM 765 CB LEU A 45 4.690 2.202 -4.641 1.00 0.00 C ATOM 766 CG LEU A 45 5.239 0.848 -5.110 1.00 0.00 C ATOM 767 CD1 LEU A 45 4.131 -0.194 -5.162 1.00 0.00 C ATOM 768 CD2 LEU A 45 5.904 0.983 -6.470 1.00 0.00 C ATOM 0 H LEU A 45 6.571 2.305 -2.824 1.00 0.00 H new ATOM 0 HA LEU A 45 6.125 3.612 -5.437 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.175 2.057 -3.691 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.944 2.541 -5.360 1.00 0.00 H new ATOM 0 HG LEU A 45 5.988 0.517 -4.390 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.542 -1.146 -5.497 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.698 -0.315 -4.169 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.358 0.132 -5.857 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.287 0.013 -6.786 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.175 1.340 -7.198 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.728 1.694 -6.403 1.00 0.00 H new ATOM 780 N GLY A 46 5.582 4.889 -2.633 1.00 0.00 N ATOM 781 CA GLY A 46 4.988 5.970 -1.860 1.00 0.00 C ATOM 782 C GLY A 46 5.050 7.310 -2.560 1.00 0.00 C ATOM 783 O GLY A 46 4.169 8.151 -2.380 1.00 0.00 O ATOM 0 H GLY A 46 6.396 4.455 -2.197 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.947 5.726 -1.648 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.500 6.045 -0.900 1.00 0.00 H new ATOM 787 N SER A 47 6.082 7.508 -3.363 1.00 0.00 N ATOM 788 CA SER A 47 6.267 8.764 -4.071 1.00 0.00 C ATOM 789 C SER A 47 5.554 8.745 -5.421 1.00 0.00 C ATOM 790 O SER A 47 5.716 9.656 -6.232 1.00 0.00 O ATOM 791 CB SER A 47 7.760 9.032 -4.264 1.00 0.00 C ATOM 792 OG SER A 47 8.439 9.019 -3.015 1.00 0.00 O ATOM 0 H SER A 47 6.807 6.813 -3.541 1.00 0.00 H new ATOM 0 HA SER A 47 5.831 9.565 -3.474 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.188 8.277 -4.924 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.901 9.997 -4.750 1.00 0.00 H new ATOM 0 HG SER A 47 9.393 9.191 -3.159 1.00 0.00 H new ATOM 798 N ILE A 48 4.759 7.711 -5.649 1.00 0.00 N ATOM 799 CA ILE A 48 4.023 7.571 -6.894 1.00 0.00 C ATOM 800 C ILE A 48 2.548 7.904 -6.680 1.00 0.00 C ATOM 801 O ILE A 48 1.905 7.357 -5.783 1.00 0.00 O ATOM 802 CB ILE A 48 4.153 6.139 -7.465 1.00 0.00 C ATOM 803 CG1 ILE A 48 5.626 5.794 -7.701 1.00 0.00 C ATOM 804 CG2 ILE A 48 3.361 6.000 -8.761 1.00 0.00 C ATOM 805 CD1 ILE A 48 5.851 4.386 -8.208 1.00 0.00 C ATOM 0 H ILE A 48 4.607 6.953 -4.983 1.00 0.00 H new ATOM 0 HA ILE A 48 4.452 8.270 -7.612 1.00 0.00 H new ATOM 0 HB ILE A 48 3.741 5.440 -6.737 1.00 0.00 H new ATOM 0 HG12 ILE A 48 6.044 6.500 -8.419 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.174 5.926 -6.768 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.467 4.985 -9.145 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.308 6.207 -8.568 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.741 6.708 -9.497 1.00 0.00 H new ATOM 0 HD11 ILE A 48 6.918 4.217 -8.351 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.465 3.671 -7.481 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.332 4.254 -9.158 1.00 0.00 H new ATOM 817 N PRO A 49 2.000 8.831 -7.483 1.00 0.00 N ATOM 818 CA PRO A 49 0.584 9.191 -7.417 1.00 0.00 C ATOM 819 C PRO A 49 -0.320 7.976 -7.597 1.00 0.00 C ATOM 820 O PRO A 49 -0.071 7.133 -8.456 1.00 0.00 O ATOM 821 CB PRO A 49 0.404 10.169 -8.582 1.00 0.00 C ATOM 822 CG PRO A 49 1.765 10.719 -8.831 1.00 0.00 C ATOM 823 CD PRO A 49 2.723 9.608 -8.503 1.00 0.00 C ATOM 0 HA PRO A 49 0.314 9.614 -6.450 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.014 9.664 -9.466 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.302 10.960 -8.329 1.00 0.00 H new ATOM 0 HG2 PRO A 49 1.875 11.036 -9.868 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.953 11.594 -8.208 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.955 9.004 -9.380 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.669 9.992 -8.121 1.00 0.00 H new ATOM 831 N LEU A 50 -1.375 7.899 -6.790 1.00 0.00 N ATOM 832 CA LEU A 50 -2.282 6.750 -6.797 1.00 0.00 C ATOM 833 C LEU A 50 -2.938 6.549 -8.163 1.00 0.00 C ATOM 834 O LEU A 50 -3.283 5.430 -8.531 1.00 0.00 O ATOM 835 CB LEU A 50 -3.351 6.918 -5.714 1.00 0.00 C ATOM 836 CG LEU A 50 -2.820 6.925 -4.278 1.00 0.00 C ATOM 837 CD1 LEU A 50 -3.950 7.175 -3.292 1.00 0.00 C ATOM 838 CD2 LEU A 50 -2.119 5.610 -3.964 1.00 0.00 C ATOM 0 H LEU A 50 -1.626 8.624 -6.117 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.690 5.860 -6.585 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.885 7.851 -5.893 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.077 6.111 -5.813 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.096 7.734 -4.182 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.553 7.176 -2.277 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.410 8.140 -3.503 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.698 6.388 -3.388 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.747 5.631 -2.940 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.823 4.786 -4.077 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.284 5.470 -4.650 1.00 0.00 H new ATOM 850 N LYS A 51 -3.092 7.633 -8.915 1.00 0.00 N ATOM 851 CA LYS A 51 -3.673 7.560 -10.254 1.00 0.00 C ATOM 852 C LYS A 51 -2.687 6.940 -11.242 1.00 0.00 C ATOM 853 O LYS A 51 -3.074 6.457 -12.306 1.00 0.00 O ATOM 854 CB LYS A 51 -4.088 8.951 -10.739 1.00 0.00 C ATOM 855 CG LYS A 51 -5.224 9.567 -9.939 1.00 0.00 C ATOM 856 CD LYS A 51 -5.595 10.938 -10.483 1.00 0.00 C ATOM 857 CE LYS A 51 -6.821 11.511 -9.791 1.00 0.00 C ATOM 858 NZ LYS A 51 -8.011 10.633 -9.943 1.00 0.00 N ATOM 0 H LYS A 51 -2.824 8.573 -8.622 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.558 6.926 -10.199 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.224 9.614 -10.694 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.386 8.886 -11.785 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.094 8.911 -9.972 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.931 9.654 -8.893 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.754 11.619 -10.354 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.784 10.864 -11.554 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.607 11.650 -8.731 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.042 12.495 -10.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -8.846 11.214 -10.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -7.849 9.960 -10.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -8.172 10.110 -9.059 1.00 0.00 H new ATOM 872 N LYS A 52 -1.415 6.953 -10.878 1.00 0.00 N ATOM 873 CA LYS A 52 -0.366 6.431 -11.737 1.00 0.00 C ATOM 874 C LYS A 52 0.118 5.076 -11.220 1.00 0.00 C ATOM 875 O LYS A 52 0.853 4.359 -11.899 1.00 0.00 O ATOM 876 CB LYS A 52 0.794 7.432 -11.804 1.00 0.00 C ATOM 877 CG LYS A 52 1.934 6.995 -12.708 1.00 0.00 C ATOM 878 CD LYS A 52 3.049 8.023 -12.737 1.00 0.00 C ATOM 879 CE LYS A 52 4.261 7.506 -13.499 1.00 0.00 C ATOM 880 NZ LYS A 52 3.935 7.145 -14.906 1.00 0.00 N ATOM 0 H LYS A 52 -1.083 7.322 -9.987 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.764 6.288 -12.742 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.413 8.391 -12.154 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.182 7.591 -10.798 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.328 6.040 -12.362 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.558 6.837 -13.719 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.688 8.940 -13.203 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.339 8.276 -11.717 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.042 8.267 -13.493 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.663 6.632 -12.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 4.809 6.896 -15.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 3.286 6.332 -14.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 3.482 7.955 -15.376 1.00 0.00 H new ATOM 894 N LEU A 53 -0.311 4.726 -10.017 1.00 0.00 N ATOM 895 CA LEU A 53 0.070 3.463 -9.405 1.00 0.00 C ATOM 896 C LEU A 53 -0.495 2.304 -10.224 1.00 0.00 C ATOM 897 O LEU A 53 -1.710 2.164 -10.373 1.00 0.00 O ATOM 898 CB LEU A 53 -0.424 3.422 -7.946 1.00 0.00 C ATOM 899 CG LEU A 53 0.063 2.247 -7.080 1.00 0.00 C ATOM 900 CD1 LEU A 53 -0.716 0.976 -7.378 1.00 0.00 C ATOM 901 CD2 LEU A 53 1.553 2.012 -7.277 1.00 0.00 C ATOM 0 H LEU A 53 -0.926 5.302 -9.443 1.00 0.00 H new ATOM 0 HA LEU A 53 1.156 3.368 -9.393 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.123 4.350 -7.460 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.514 3.407 -7.957 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.114 2.513 -6.038 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.346 0.167 -6.749 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.774 1.141 -7.173 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.588 0.708 -8.427 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.875 1.177 -6.655 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.750 1.782 -8.324 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.103 2.909 -6.993 1.00 0.00 H new ATOM 913 N GLN A 54 0.397 1.494 -10.776 1.00 0.00 N ATOM 914 CA GLN A 54 -0.007 0.379 -11.614 1.00 0.00 C ATOM 915 C GLN A 54 -0.078 -0.896 -10.789 1.00 0.00 C ATOM 916 O GLN A 54 0.687 -1.066 -9.840 1.00 0.00 O ATOM 917 CB GLN A 54 0.980 0.192 -12.771 1.00 0.00 C ATOM 918 CG GLN A 54 1.154 1.427 -13.641 1.00 0.00 C ATOM 919 CD GLN A 54 -0.142 1.892 -14.276 1.00 0.00 C ATOM 920 OE1 GLN A 54 -0.501 1.466 -15.372 1.00 0.00 O ATOM 921 NE2 GLN A 54 -0.844 2.784 -13.598 1.00 0.00 N ATOM 0 H GLN A 54 1.406 1.590 -10.657 1.00 0.00 H new ATOM 0 HA GLN A 54 -0.993 0.596 -12.025 1.00 0.00 H new ATOM 0 HB2 GLN A 54 1.950 -0.093 -12.365 1.00 0.00 H new ATOM 0 HB3 GLN A 54 0.640 -0.635 -13.395 1.00 0.00 H new ATOM 0 HG2 GLN A 54 1.566 2.235 -13.037 1.00 0.00 H new ATOM 0 HG3 GLN A 54 1.880 1.213 -14.425 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -0.512 3.112 -12.691 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -1.718 3.144 -13.982 1.00 0.00 H new ATOM 930 N PRO A 55 -0.991 -1.815 -11.142 1.00 0.00 N ATOM 931 CA PRO A 55 -1.115 -3.109 -10.462 1.00 0.00 C ATOM 932 C PRO A 55 0.176 -3.919 -10.541 1.00 0.00 C ATOM 933 O PRO A 55 0.441 -4.774 -9.696 1.00 0.00 O ATOM 934 CB PRO A 55 -2.243 -3.817 -11.226 1.00 0.00 C ATOM 935 CG PRO A 55 -2.379 -3.078 -12.514 1.00 0.00 C ATOM 936 CD PRO A 55 -1.982 -1.663 -12.220 1.00 0.00 C ATOM 0 HA PRO A 55 -1.321 -2.994 -9.398 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -2.001 -4.866 -11.399 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.174 -3.794 -10.660 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -1.739 -3.512 -13.282 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.402 -3.127 -12.886 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.555 -1.173 -13.095 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -2.834 -1.062 -11.903 1.00 0.00 H new ATOM 944 N ALA A 56 0.985 -3.627 -11.556 1.00 0.00 N ATOM 945 CA ALA A 56 2.255 -4.309 -11.756 1.00 0.00 C ATOM 946 C ALA A 56 3.257 -3.942 -10.666 1.00 0.00 C ATOM 947 O ALA A 56 4.106 -4.749 -10.298 1.00 0.00 O ATOM 948 CB ALA A 56 2.819 -3.972 -13.126 1.00 0.00 C ATOM 0 H ALA A 56 0.778 -2.916 -12.257 1.00 0.00 H new ATOM 0 HA ALA A 56 2.076 -5.383 -11.699 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.769 -4.488 -13.265 1.00 0.00 H new ATOM 0 HB2 ALA A 56 2.117 -4.290 -13.897 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.976 -2.896 -13.200 1.00 0.00 H new ATOM 954 N ASP A 57 3.147 -2.724 -10.148 1.00 0.00 N ATOM 955 CA ASP A 57 4.039 -2.264 -9.090 1.00 0.00 C ATOM 956 C ASP A 57 3.723 -2.976 -7.785 1.00 0.00 C ATOM 957 O ASP A 57 4.626 -3.400 -7.066 1.00 0.00 O ATOM 958 CB ASP A 57 3.938 -0.746 -8.904 1.00 0.00 C ATOM 959 CG ASP A 57 4.573 0.023 -10.046 1.00 0.00 C ATOM 960 OD1 ASP A 57 5.805 0.233 -10.013 1.00 0.00 O ATOM 961 OD2 ASP A 57 3.846 0.417 -10.983 1.00 0.00 O ATOM 0 H ASP A 57 2.451 -2.039 -10.442 1.00 0.00 H new ATOM 0 HA ASP A 57 5.061 -2.502 -9.384 1.00 0.00 H new ATOM 0 HB2 ASP A 57 2.889 -0.463 -8.819 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.421 -0.465 -7.968 1.00 0.00 H new ATOM 966 N ILE A 58 2.437 -3.121 -7.495 1.00 0.00 N ATOM 967 CA ILE A 58 2.000 -3.866 -6.320 1.00 0.00 C ATOM 968 C ILE A 58 2.352 -5.342 -6.482 1.00 0.00 C ATOM 969 O ILE A 58 2.779 -6.004 -5.535 1.00 0.00 O ATOM 970 CB ILE A 58 0.478 -3.716 -6.084 1.00 0.00 C ATOM 971 CG1 ILE A 58 0.113 -2.244 -5.876 1.00 0.00 C ATOM 972 CG2 ILE A 58 0.036 -4.546 -4.886 1.00 0.00 C ATOM 973 CD1 ILE A 58 -1.371 -2.014 -5.668 1.00 0.00 C ATOM 0 H ILE A 58 1.678 -2.733 -8.056 1.00 0.00 H new ATOM 0 HA ILE A 58 2.517 -3.456 -5.453 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.044 -4.083 -6.968 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.657 -1.861 -5.012 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.444 -1.670 -6.741 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.037 -4.427 -4.737 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.263 -5.597 -5.068 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.566 -4.209 -3.995 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.558 -0.949 -5.527 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.920 -2.366 -6.541 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.704 -2.561 -4.786 1.00 0.00 H new ATOM 985 N GLN A 59 2.176 -5.839 -7.702 1.00 0.00 N ATOM 986 CA GLN A 59 2.570 -7.196 -8.057 1.00 0.00 C ATOM 987 C GLN A 59 4.049 -7.392 -7.748 1.00 0.00 C ATOM 988 O GLN A 59 4.430 -8.311 -7.021 1.00 0.00 O ATOM 989 CB GLN A 59 2.287 -7.425 -9.550 1.00 0.00 C ATOM 990 CG GLN A 59 2.483 -8.852 -10.049 1.00 0.00 C ATOM 991 CD GLN A 59 3.925 -9.194 -10.385 1.00 0.00 C ATOM 992 OE1 GLN A 59 4.668 -9.722 -9.561 1.00 0.00 O ATOM 993 NE2 GLN A 59 4.331 -8.885 -11.605 1.00 0.00 N ATOM 0 H GLN A 59 1.758 -5.314 -8.470 1.00 0.00 H new ATOM 0 HA GLN A 59 1.999 -7.920 -7.476 1.00 0.00 H new ATOM 0 HB2 GLN A 59 1.259 -7.126 -9.756 1.00 0.00 H new ATOM 0 HB3 GLN A 59 2.933 -6.765 -10.129 1.00 0.00 H new ATOM 0 HG2 GLN A 59 2.123 -9.545 -9.289 1.00 0.00 H new ATOM 0 HG3 GLN A 59 1.868 -9.004 -10.936 1.00 0.00 H new ATOM 0 HE21 GLN A 59 3.685 -8.447 -12.262 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.290 -9.084 -11.889 1.00 0.00 H new ATOM 1002 N ARG A 60 4.868 -6.495 -8.285 1.00 0.00 N ATOM 1003 CA ARG A 60 6.308 -6.533 -8.078 1.00 0.00 C ATOM 1004 C ARG A 60 6.652 -6.426 -6.600 1.00 0.00 C ATOM 1005 O ARG A 60 7.572 -7.086 -6.125 1.00 0.00 O ATOM 1006 CB ARG A 60 6.979 -5.394 -8.838 1.00 0.00 C ATOM 1007 CG ARG A 60 8.492 -5.418 -8.752 1.00 0.00 C ATOM 1008 CD ARG A 60 9.095 -4.173 -9.369 1.00 0.00 C ATOM 1009 NE ARG A 60 10.549 -4.251 -9.449 1.00 0.00 N ATOM 1010 CZ ARG A 60 11.314 -3.298 -9.969 1.00 0.00 C ATOM 1011 NH1 ARG A 60 10.766 -2.171 -10.414 1.00 0.00 N ATOM 1012 NH2 ARG A 60 12.627 -3.471 -10.038 1.00 0.00 N ATOM 0 H ARG A 60 4.553 -5.724 -8.874 1.00 0.00 H new ATOM 0 HA ARG A 60 6.674 -7.489 -8.453 1.00 0.00 H new ATOM 0 HB2 ARG A 60 6.682 -5.442 -9.886 1.00 0.00 H new ATOM 0 HB3 ARG A 60 6.616 -4.444 -8.447 1.00 0.00 H new ATOM 0 HG2 ARG A 60 8.798 -5.495 -7.709 1.00 0.00 H new ATOM 0 HG3 ARG A 60 8.874 -6.302 -9.263 1.00 0.00 H new ATOM 0 HD2 ARG A 60 8.684 -4.029 -10.368 1.00 0.00 H new ATOM 0 HD3 ARG A 60 8.811 -3.302 -8.779 1.00 0.00 H new ATOM 0 HE ARG A 60 11.005 -5.087 -9.084 1.00 0.00 H new ATOM 0 HH11 ARG A 60 9.756 -2.037 -10.356 1.00 0.00 H new ATOM 0 HH12 ARG A 60 11.355 -1.440 -10.813 1.00 0.00 H new ATOM 0 HH21 ARG A 60 13.047 -4.334 -9.692 1.00 0.00 H new ATOM 0 HH22 ARG A 60 13.217 -2.741 -10.437 1.00 0.00 H new ATOM 1026 N LEU A 61 5.916 -5.583 -5.887 1.00 0.00 N ATOM 1027 CA LEU A 61 6.134 -5.382 -4.461 1.00 0.00 C ATOM 1028 C LEU A 61 5.999 -6.713 -3.723 1.00 0.00 C ATOM 1029 O LEU A 61 6.891 -7.106 -2.971 1.00 0.00 O ATOM 1030 CB LEU A 61 5.134 -4.344 -3.918 1.00 0.00 C ATOM 1031 CG LEU A 61 5.530 -3.626 -2.615 1.00 0.00 C ATOM 1032 CD1 LEU A 61 5.481 -4.565 -1.420 1.00 0.00 C ATOM 1033 CD2 LEU A 61 6.913 -3.003 -2.747 1.00 0.00 C ATOM 0 H LEU A 61 5.157 -5.024 -6.277 1.00 0.00 H new ATOM 0 HA LEU A 61 7.142 -5.001 -4.298 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.973 -3.590 -4.688 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.178 -4.843 -3.756 1.00 0.00 H new ATOM 0 HG LEU A 61 4.803 -2.833 -2.442 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.767 -4.022 -0.519 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.469 -4.954 -1.304 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.172 -5.393 -1.579 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.176 -2.500 -1.816 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.645 -3.783 -2.957 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.910 -2.279 -3.562 1.00 0.00 H new ATOM 1045 N TYR A 62 4.894 -7.415 -3.963 1.00 0.00 N ATOM 1046 CA TYR A 62 4.662 -8.715 -3.341 1.00 0.00 C ATOM 1047 C TYR A 62 5.742 -9.712 -3.743 1.00 0.00 C ATOM 1048 O TYR A 62 6.257 -10.458 -2.904 1.00 0.00 O ATOM 1049 CB TYR A 62 3.285 -9.266 -3.720 1.00 0.00 C ATOM 1050 CG TYR A 62 2.126 -8.495 -3.129 1.00 0.00 C ATOM 1051 CD1 TYR A 62 2.211 -7.932 -1.862 1.00 0.00 C ATOM 1052 CD2 TYR A 62 0.937 -8.349 -3.832 1.00 0.00 C ATOM 1053 CE1 TYR A 62 1.146 -7.243 -1.313 1.00 0.00 C ATOM 1054 CE2 TYR A 62 -0.131 -7.660 -3.292 1.00 0.00 C ATOM 1055 CZ TYR A 62 -0.022 -7.109 -2.033 1.00 0.00 C ATOM 1056 OH TYR A 62 -1.088 -6.424 -1.488 1.00 0.00 O ATOM 0 H TYR A 62 4.146 -7.105 -4.583 1.00 0.00 H new ATOM 0 HA TYR A 62 4.699 -8.573 -2.261 1.00 0.00 H new ATOM 0 HB2 TYR A 62 3.192 -9.265 -4.806 1.00 0.00 H new ATOM 0 HB3 TYR A 62 3.219 -10.305 -3.395 1.00 0.00 H new ATOM 0 HD1 TYR A 62 3.125 -8.034 -1.296 1.00 0.00 H new ATOM 0 HD2 TYR A 62 0.846 -8.782 -4.817 1.00 0.00 H new ATOM 0 HE1 TYR A 62 1.228 -6.812 -0.326 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -1.047 -7.553 -3.853 1.00 0.00 H new ATOM 0 HH TYR A 62 -1.638 -6.049 -2.207 1.00 0.00 H new ATOM 1066 N ALA A 63 6.092 -9.710 -5.026 1.00 0.00 N ATOM 1067 CA ALA A 63 7.128 -10.595 -5.541 1.00 0.00 C ATOM 1068 C ALA A 63 8.462 -10.318 -4.858 1.00 0.00 C ATOM 1069 O ALA A 63 9.134 -11.240 -4.394 1.00 0.00 O ATOM 1070 CB ALA A 63 7.262 -10.433 -7.048 1.00 0.00 C ATOM 0 H ALA A 63 5.671 -9.103 -5.729 1.00 0.00 H new ATOM 0 HA ALA A 63 6.839 -11.623 -5.324 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.040 -11.101 -7.418 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.314 -10.680 -7.526 1.00 0.00 H new ATOM 0 HB3 ALA A 63 7.528 -9.402 -7.281 1.00 0.00 H new ATOM 1076 N SER A 64 8.820 -9.041 -4.784 1.00 0.00 N ATOM 1077 CA SER A 64 10.070 -8.608 -4.172 1.00 0.00 C ATOM 1078 C SER A 64 10.102 -8.950 -2.683 1.00 0.00 C ATOM 1079 O SER A 64 11.157 -9.277 -2.131 1.00 0.00 O ATOM 1080 CB SER A 64 10.246 -7.103 -4.378 1.00 0.00 C ATOM 1081 OG SER A 64 10.341 -6.787 -5.758 1.00 0.00 O ATOM 0 H SER A 64 8.251 -8.276 -5.147 1.00 0.00 H new ATOM 0 HA SER A 64 10.894 -9.137 -4.651 1.00 0.00 H new ATOM 0 HB2 SER A 64 9.403 -6.571 -3.936 1.00 0.00 H new ATOM 0 HB3 SER A 64 11.144 -6.764 -3.861 1.00 0.00 H new ATOM 0 HG SER A 64 9.454 -6.853 -6.170 1.00 0.00 H new ATOM 1087 N LYS A 65 8.941 -8.881 -2.042 1.00 0.00 N ATOM 1088 CA LYS A 65 8.808 -9.260 -0.643 1.00 0.00 C ATOM 1089 C LYS A 65 9.237 -10.710 -0.435 1.00 0.00 C ATOM 1090 O LYS A 65 10.035 -11.009 0.449 1.00 0.00 O ATOM 1091 CB LYS A 65 7.360 -9.073 -0.180 1.00 0.00 C ATOM 1092 CG LYS A 65 6.975 -7.625 0.083 1.00 0.00 C ATOM 1093 CD LYS A 65 7.510 -7.124 1.419 1.00 0.00 C ATOM 1094 CE LYS A 65 6.585 -7.489 2.577 1.00 0.00 C ATOM 1095 NZ LYS A 65 6.465 -8.961 2.776 1.00 0.00 N ATOM 0 H LYS A 65 8.073 -8.564 -2.474 1.00 0.00 H new ATOM 0 HA LYS A 65 9.458 -8.616 -0.050 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.692 -9.484 -0.937 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.203 -9.651 0.731 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.360 -6.996 -0.720 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.889 -7.531 0.069 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.498 -7.549 1.596 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.631 -6.041 1.378 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.959 -7.032 3.493 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.596 -7.070 2.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.173 -9.156 3.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.755 -9.343 2.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.384 -9.412 2.593 1.00 0.00 H new ATOM 1109 N LEU A 66 8.714 -11.603 -1.265 1.00 0.00 N ATOM 1110 CA LEU A 66 9.024 -13.022 -1.146 1.00 0.00 C ATOM 1111 C LEU A 66 10.424 -13.307 -1.688 1.00 0.00 C ATOM 1112 O LEU A 66 11.127 -14.192 -1.194 1.00 0.00 O ATOM 1113 CB LEU A 66 7.983 -13.848 -1.902 1.00 0.00 C ATOM 1114 CG LEU A 66 7.995 -15.347 -1.609 1.00 0.00 C ATOM 1115 CD1 LEU A 66 7.679 -15.607 -0.143 1.00 0.00 C ATOM 1116 CD2 LEU A 66 7.000 -16.068 -2.506 1.00 0.00 C ATOM 0 H LEU A 66 8.075 -11.371 -2.026 1.00 0.00 H new ATOM 0 HA LEU A 66 8.998 -13.301 -0.093 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.993 -13.457 -1.666 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.136 -13.703 -2.971 1.00 0.00 H new ATOM 0 HG LEU A 66 8.993 -15.733 -1.818 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.692 -16.680 0.047 1.00 0.00 H new ATOM 0 HD12 LEU A 66 8.426 -15.119 0.482 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.692 -15.209 0.093 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.019 -17.135 -2.286 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.998 -15.678 -2.325 1.00 0.00 H new ATOM 0 HD23 LEU A 66 7.269 -15.908 -3.550 1.00 0.00 H new ATOM 1128 N GLU A 67 10.820 -12.536 -2.699 1.00 0.00 N ATOM 1129 CA GLU A 67 12.149 -12.631 -3.303 1.00 0.00 C ATOM 1130 C GLU A 67 13.244 -12.459 -2.253 1.00 0.00 C ATOM 1131 O GLU A 67 14.262 -13.149 -2.273 1.00 0.00 O ATOM 1132 CB GLU A 67 12.302 -11.546 -4.373 1.00 0.00 C ATOM 1133 CG GLU A 67 13.676 -11.493 -5.019 1.00 0.00 C ATOM 1134 CD GLU A 67 13.938 -10.163 -5.692 1.00 0.00 C ATOM 1135 OE1 GLU A 67 13.470 -9.958 -6.828 1.00 0.00 O ATOM 1136 OE2 GLU A 67 14.609 -9.305 -5.077 1.00 0.00 O ATOM 0 H GLU A 67 10.226 -11.824 -3.125 1.00 0.00 H new ATOM 0 HA GLU A 67 12.251 -13.619 -3.751 1.00 0.00 H new ATOM 0 HB2 GLU A 67 11.555 -11.710 -5.149 1.00 0.00 H new ATOM 0 HB3 GLU A 67 12.087 -10.576 -3.924 1.00 0.00 H new ATOM 0 HG2 GLU A 67 14.439 -11.672 -4.262 1.00 0.00 H new ATOM 0 HG3 GLU A 67 13.762 -12.294 -5.754 1.00 0.00 H new ATOM 1143 N SER A 68 13.014 -11.537 -1.328 1.00 0.00 N ATOM 1144 CA SER A 68 13.998 -11.205 -0.306 1.00 0.00 C ATOM 1145 C SER A 68 14.082 -12.296 0.765 1.00 0.00 C ATOM 1146 O SER A 68 14.923 -12.236 1.665 1.00 0.00 O ATOM 1147 CB SER A 68 13.636 -9.862 0.329 1.00 0.00 C ATOM 1148 OG SER A 68 13.433 -8.870 -0.669 1.00 0.00 O ATOM 0 H SER A 68 12.148 -11.002 -1.264 1.00 0.00 H new ATOM 0 HA SER A 68 14.978 -11.134 -0.778 1.00 0.00 H new ATOM 0 HB2 SER A 68 12.733 -9.970 0.930 1.00 0.00 H new ATOM 0 HB3 SER A 68 14.432 -9.548 1.004 1.00 0.00 H new ATOM 0 HG SER A 68 12.537 -8.970 -1.052 1.00 0.00 H new ATOM 1154 N GLY A 69 13.213 -13.296 0.656 1.00 0.00 N ATOM 1155 CA GLY A 69 13.190 -14.369 1.625 1.00 0.00 C ATOM 1156 C GLY A 69 12.447 -13.974 2.880 1.00 0.00 C ATOM 1157 O GLY A 69 12.870 -14.296 3.990 1.00 0.00 O ATOM 0 H GLY A 69 12.523 -13.380 -0.090 1.00 0.00 H new ATOM 0 HA2 GLY A 69 12.718 -15.247 1.184 1.00 0.00 H new ATOM 0 HA3 GLY A 69 14.212 -14.650 1.880 1.00 0.00 H new ATOM 1161 N LEU A 70 11.341 -13.266 2.706 1.00 0.00 N ATOM 1162 CA LEU A 70 10.556 -12.791 3.833 1.00 0.00 C ATOM 1163 C LEU A 70 9.504 -13.827 4.210 1.00 0.00 C ATOM 1164 O LEU A 70 9.004 -14.550 3.345 1.00 0.00 O ATOM 1165 CB LEU A 70 9.899 -11.458 3.476 1.00 0.00 C ATOM 1166 CG LEU A 70 10.126 -10.320 4.477 1.00 0.00 C ATOM 1167 CD1 LEU A 70 9.750 -8.985 3.859 1.00 0.00 C ATOM 1168 CD2 LEU A 70 9.320 -10.548 5.745 1.00 0.00 C ATOM 0 H LEU A 70 10.967 -13.008 1.793 1.00 0.00 H new ATOM 0 HA LEU A 70 11.210 -12.639 4.692 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.269 -11.140 2.501 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.826 -11.618 3.372 1.00 0.00 H new ATOM 0 HG LEU A 70 11.185 -10.305 4.735 1.00 0.00 H new ATOM 0 HD11 LEU A 70 9.918 -8.188 4.584 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.364 -8.807 2.976 1.00 0.00 H new ATOM 0 HD13 LEU A 70 8.698 -9.000 3.573 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.497 -9.728 6.441 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.259 -10.593 5.499 1.00 0.00 H new ATOM 0 HD23 LEU A 70 9.625 -11.487 6.206 1.00 0.00 H new ATOM 1180 N SER A 71 9.182 -13.899 5.496 1.00 0.00 N ATOM 1181 CA SER A 71 8.220 -14.871 5.997 1.00 0.00 C ATOM 1182 C SER A 71 6.846 -14.679 5.343 1.00 0.00 C ATOM 1183 O SER A 71 6.355 -13.552 5.227 1.00 0.00 O ATOM 1184 CB SER A 71 8.106 -14.749 7.518 1.00 0.00 C ATOM 1185 OG SER A 71 9.384 -14.811 8.135 1.00 0.00 O ATOM 0 H SER A 71 9.576 -13.291 6.214 1.00 0.00 H new ATOM 0 HA SER A 71 8.575 -15.869 5.741 1.00 0.00 H new ATOM 0 HB2 SER A 71 7.621 -13.807 7.775 1.00 0.00 H new ATOM 0 HB3 SER A 71 7.474 -15.549 7.903 1.00 0.00 H new ATOM 0 HG SER A 71 9.283 -14.729 9.106 1.00 0.00 H new ATOM 1191 N PRO A 72 6.223 -15.788 4.898 1.00 0.00 N ATOM 1192 CA PRO A 72 4.918 -15.776 4.214 1.00 0.00 C ATOM 1193 C PRO A 72 3.829 -15.022 4.975 1.00 0.00 C ATOM 1194 O PRO A 72 2.983 -14.373 4.365 1.00 0.00 O ATOM 1195 CB PRO A 72 4.558 -17.257 4.111 1.00 0.00 C ATOM 1196 CG PRO A 72 5.867 -17.961 4.113 1.00 0.00 C ATOM 1197 CD PRO A 72 6.762 -17.157 5.012 1.00 0.00 C ATOM 0 HA PRO A 72 4.985 -15.258 3.257 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.936 -17.573 4.949 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.996 -17.466 3.200 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.761 -18.982 4.478 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.279 -18.024 3.106 1.00 0.00 H new ATOM 0 HD2 PRO A 72 6.727 -17.518 6.040 1.00 0.00 H new ATOM 0 HD3 PRO A 72 7.803 -17.207 4.691 1.00 0.00 H new ATOM 1205 N THR A 73 3.841 -15.105 6.299 1.00 0.00 N ATOM 1206 CA THR A 73 2.853 -14.399 7.109 1.00 0.00 C ATOM 1207 C THR A 73 3.034 -12.885 6.971 1.00 0.00 C ATOM 1208 O THR A 73 2.064 -12.125 6.950 1.00 0.00 O ATOM 1209 CB THR A 73 2.949 -14.809 8.592 1.00 0.00 C ATOM 1210 OG1 THR A 73 2.983 -16.241 8.692 1.00 0.00 O ATOM 1211 CG2 THR A 73 1.766 -14.277 9.385 1.00 0.00 C ATOM 0 H THR A 73 4.518 -15.650 6.833 1.00 0.00 H new ATOM 0 HA THR A 73 1.864 -14.675 6.743 1.00 0.00 H new ATOM 0 HB THR A 73 3.862 -14.382 9.007 1.00 0.00 H new ATOM 0 HG1 THR A 73 3.046 -16.502 9.635 1.00 0.00 H new ATOM 0 HG21 THR A 73 1.860 -14.581 10.427 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.748 -13.189 9.325 1.00 0.00 H new ATOM 0 HG23 THR A 73 0.841 -14.679 8.972 1.00 0.00 H new ATOM 1219 N ARG A 74 4.284 -12.462 6.816 1.00 0.00 N ATOM 1220 CA ARG A 74 4.605 -11.050 6.634 1.00 0.00 C ATOM 1221 C ARG A 74 4.377 -10.635 5.181 1.00 0.00 C ATOM 1222 O ARG A 74 4.586 -9.480 4.804 1.00 0.00 O ATOM 1223 CB ARG A 74 6.050 -10.777 7.050 1.00 0.00 C ATOM 1224 CG ARG A 74 6.290 -10.953 8.538 1.00 0.00 C ATOM 1225 CD ARG A 74 5.601 -9.861 9.339 1.00 0.00 C ATOM 1226 NE ARG A 74 5.567 -10.160 10.766 1.00 0.00 N ATOM 1227 CZ ARG A 74 6.450 -9.698 11.654 1.00 0.00 C ATOM 1228 NH1 ARG A 74 7.460 -8.926 11.268 1.00 0.00 N ATOM 1229 NH2 ARG A 74 6.324 -10.010 12.936 1.00 0.00 N ATOM 0 H ARG A 74 5.096 -13.080 6.813 1.00 0.00 H new ATOM 0 HA ARG A 74 3.945 -10.458 7.268 1.00 0.00 H new ATOM 0 HB2 ARG A 74 6.712 -11.447 6.501 1.00 0.00 H new ATOM 0 HB3 ARG A 74 6.317 -9.760 6.764 1.00 0.00 H new ATOM 0 HG2 ARG A 74 5.921 -11.928 8.856 1.00 0.00 H new ATOM 0 HG3 ARG A 74 7.361 -10.936 8.741 1.00 0.00 H new ATOM 0 HD2 ARG A 74 6.119 -8.915 9.180 1.00 0.00 H new ATOM 0 HD3 ARG A 74 4.583 -9.732 8.973 1.00 0.00 H new ATOM 0 HE ARG A 74 4.818 -10.762 11.108 1.00 0.00 H new ATOM 0 HH11 ARG A 74 7.567 -8.680 10.284 1.00 0.00 H new ATOM 0 HH12 ARG A 74 8.128 -8.579 11.956 1.00 0.00 H new ATOM 0 HH21 ARG A 74 5.553 -10.603 13.243 1.00 0.00 H new ATOM 0 HH22 ARG A 74 6.998 -9.657 13.615 1.00 0.00 H new ATOM 1243 N VAL A 75 3.996 -11.600 4.361 1.00 0.00 N ATOM 1244 CA VAL A 75 3.520 -11.322 3.019 1.00 0.00 C ATOM 1245 C VAL A 75 1.996 -11.257 3.043 1.00 0.00 C ATOM 1246 O VAL A 75 1.389 -10.370 2.444 1.00 0.00 O ATOM 1247 CB VAL A 75 3.987 -12.393 2.006 1.00 0.00 C ATOM 1248 CG1 VAL A 75 3.518 -12.051 0.596 1.00 0.00 C ATOM 1249 CG2 VAL A 75 5.501 -12.539 2.044 1.00 0.00 C ATOM 0 H VAL A 75 4.008 -12.590 4.605 1.00 0.00 H new ATOM 0 HA VAL A 75 3.938 -10.369 2.695 1.00 0.00 H new ATOM 0 HB VAL A 75 3.540 -13.346 2.290 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.859 -12.820 -0.097 1.00 0.00 H new ATOM 0 HG12 VAL A 75 2.429 -12.002 0.576 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.930 -11.086 0.300 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.812 -13.297 1.325 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.965 -11.586 1.790 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.813 -12.839 3.045 1.00 0.00 H new ATOM 1259 N ARG A 76 1.395 -12.201 3.771 1.00 0.00 N ATOM 1260 CA ARG A 76 -0.055 -12.260 3.943 1.00 0.00 C ATOM 1261 C ARG A 76 -0.601 -10.969 4.541 1.00 0.00 C ATOM 1262 O ARG A 76 -1.521 -10.366 3.985 1.00 0.00 O ATOM 1263 CB ARG A 76 -0.443 -13.436 4.844 1.00 0.00 C ATOM 1264 CG ARG A 76 -0.536 -14.770 4.124 1.00 0.00 C ATOM 1265 CD ARG A 76 -0.823 -15.902 5.099 1.00 0.00 C ATOM 1266 NE ARG A 76 -1.225 -17.135 4.419 1.00 0.00 N ATOM 1267 CZ ARG A 76 -0.397 -18.140 4.132 1.00 0.00 C ATOM 1268 NH1 ARG A 76 0.880 -18.083 4.497 1.00 0.00 N ATOM 1269 NH2 ARG A 76 -0.854 -19.212 3.502 1.00 0.00 N ATOM 0 H ARG A 76 1.900 -12.943 4.256 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.491 -12.397 2.954 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.289 -13.520 5.647 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.404 -13.220 5.310 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -1.323 -14.726 3.372 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.398 -14.968 3.597 1.00 0.00 H new ATOM 0 HD2 ARG A 76 0.066 -16.095 5.700 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.612 -15.595 5.786 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.203 -17.231 4.147 1.00 0.00 H new ATOM 0 HH11 ARG A 76 1.231 -17.268 4.999 1.00 0.00 H new ATOM 0 HH12 ARG A 76 1.509 -18.855 4.275 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -1.838 -19.267 3.237 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -0.222 -19.982 3.281 1.00 0.00 H new ATOM 1283 N TYR A 77 -0.032 -10.553 5.670 1.00 0.00 N ATOM 1284 CA TYR A 77 -0.506 -9.365 6.378 1.00 0.00 C ATOM 1285 C TYR A 77 -0.473 -8.134 5.476 1.00 0.00 C ATOM 1286 O TYR A 77 -1.486 -7.458 5.304 1.00 0.00 O ATOM 1287 CB TYR A 77 0.333 -9.116 7.634 1.00 0.00 C ATOM 1288 CG TYR A 77 -0.215 -8.022 8.524 1.00 0.00 C ATOM 1289 CD1 TYR A 77 -1.275 -8.272 9.387 1.00 0.00 C ATOM 1290 CD2 TYR A 77 0.325 -6.743 8.502 1.00 0.00 C ATOM 1291 CE1 TYR A 77 -1.781 -7.278 10.203 1.00 0.00 C ATOM 1292 CE2 TYR A 77 -0.177 -5.743 9.315 1.00 0.00 C ATOM 1293 CZ TYR A 77 -1.229 -6.016 10.162 1.00 0.00 C ATOM 1294 OH TYR A 77 -1.728 -5.020 10.972 1.00 0.00 O ATOM 0 H TYR A 77 0.758 -11.021 6.115 1.00 0.00 H new ATOM 0 HA TYR A 77 -1.540 -9.546 6.673 1.00 0.00 H new ATOM 0 HB2 TYR A 77 0.396 -10.041 8.207 1.00 0.00 H new ATOM 0 HB3 TYR A 77 1.349 -8.855 7.336 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -1.711 -9.260 9.421 1.00 0.00 H new ATOM 0 HD2 TYR A 77 1.150 -6.526 7.840 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -2.604 -7.489 10.869 1.00 0.00 H new ATOM 0 HE2 TYR A 77 0.253 -4.753 9.286 1.00 0.00 H new ATOM 0 HH TYR A 77 -1.622 -4.153 10.528 1.00 0.00 H new ATOM 1304 N ILE A 78 0.693 -7.862 4.893 1.00 0.00 N ATOM 1305 CA ILE A 78 0.865 -6.716 4.002 1.00 0.00 C ATOM 1306 C ILE A 78 -0.094 -6.808 2.815 1.00 0.00 C ATOM 1307 O ILE A 78 -0.683 -5.810 2.408 1.00 0.00 O ATOM 1308 CB ILE A 78 2.337 -6.587 3.510 1.00 0.00 C ATOM 1309 CG1 ILE A 78 3.223 -5.940 4.587 1.00 0.00 C ATOM 1310 CG2 ILE A 78 2.419 -5.777 2.221 1.00 0.00 C ATOM 1311 CD1 ILE A 78 3.364 -6.748 5.861 1.00 0.00 C ATOM 0 H ILE A 78 1.536 -8.422 5.022 1.00 0.00 H new ATOM 0 HA ILE A 78 0.629 -5.817 4.572 1.00 0.00 H new ATOM 0 HB ILE A 78 2.702 -7.595 3.312 1.00 0.00 H new ATOM 0 HG12 ILE A 78 4.215 -5.771 4.168 1.00 0.00 H new ATOM 0 HG13 ILE A 78 2.812 -4.962 4.837 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.459 -5.704 1.902 1.00 0.00 H new ATOM 0 HG22 ILE A 78 1.835 -6.270 1.444 1.00 0.00 H new ATOM 0 HG23 ILE A 78 2.022 -4.777 2.394 1.00 0.00 H new ATOM 0 HD11 ILE A 78 4.006 -6.214 6.562 1.00 0.00 H new ATOM 0 HD12 ILE A 78 2.381 -6.895 6.309 1.00 0.00 H new ATOM 0 HD13 ILE A 78 3.807 -7.717 5.630 1.00 0.00 H new ATOM 1323 N HIS A 79 -0.264 -8.013 2.284 1.00 0.00 N ATOM 1324 CA HIS A 79 -1.224 -8.259 1.214 1.00 0.00 C ATOM 1325 C HIS A 79 -2.616 -7.760 1.610 1.00 0.00 C ATOM 1326 O HIS A 79 -3.238 -6.969 0.888 1.00 0.00 O ATOM 1327 CB HIS A 79 -1.256 -9.763 0.886 1.00 0.00 C ATOM 1328 CG HIS A 79 -2.496 -10.230 0.182 1.00 0.00 C ATOM 1329 ND1 HIS A 79 -3.524 -10.877 0.834 1.00 0.00 N ATOM 1330 CD2 HIS A 79 -2.873 -10.144 -1.116 1.00 0.00 C ATOM 1331 CE1 HIS A 79 -4.478 -11.168 -0.029 1.00 0.00 C ATOM 1332 NE2 HIS A 79 -4.112 -10.734 -1.221 1.00 0.00 N ATOM 0 H HIS A 79 0.254 -8.840 2.579 1.00 0.00 H new ATOM 0 HA HIS A 79 -0.914 -7.709 0.325 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -0.392 -10.003 0.267 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -1.149 -10.325 1.814 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -2.307 -9.696 -1.919 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -5.403 -11.676 0.201 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -4.658 -10.822 -2.078 1.00 0.00 H new ATOM 1341 N VAL A 80 -3.083 -8.213 2.765 1.00 0.00 N ATOM 1342 CA VAL A 80 -4.421 -7.887 3.237 1.00 0.00 C ATOM 1343 C VAL A 80 -4.563 -6.392 3.508 1.00 0.00 C ATOM 1344 O VAL A 80 -5.452 -5.736 2.958 1.00 0.00 O ATOM 1345 CB VAL A 80 -4.772 -8.678 4.517 1.00 0.00 C ATOM 1346 CG1 VAL A 80 -6.146 -8.289 5.041 1.00 0.00 C ATOM 1347 CG2 VAL A 80 -4.708 -10.176 4.251 1.00 0.00 C ATOM 0 H VAL A 80 -2.550 -8.812 3.396 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.116 -8.170 2.446 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.036 -8.427 5.281 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -6.367 -8.861 5.942 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -6.158 -7.224 5.275 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -6.899 -8.502 4.282 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.958 -10.718 5.163 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.419 -10.437 3.467 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -3.701 -10.446 3.932 1.00 0.00 H new ATOM 1357 N VAL A 81 -3.664 -5.856 4.322 1.00 0.00 N ATOM 1358 CA VAL A 81 -3.750 -4.467 4.750 1.00 0.00 C ATOM 1359 C VAL A 81 -3.624 -3.504 3.567 1.00 0.00 C ATOM 1360 O VAL A 81 -4.357 -2.521 3.485 1.00 0.00 O ATOM 1361 CB VAL A 81 -2.688 -4.140 5.831 1.00 0.00 C ATOM 1362 CG1 VAL A 81 -1.270 -4.297 5.297 1.00 0.00 C ATOM 1363 CG2 VAL A 81 -2.899 -2.743 6.388 1.00 0.00 C ATOM 0 H VAL A 81 -2.864 -6.364 4.700 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.737 -4.331 5.191 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.815 -4.860 6.640 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -0.556 -4.059 6.085 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.117 -5.325 4.967 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.121 -3.620 4.456 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.143 -2.535 7.145 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.816 -2.014 5.582 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.890 -2.676 6.837 1.00 0.00 H new ATOM 1373 N LEU A 82 -2.724 -3.809 2.634 1.00 0.00 N ATOM 1374 CA LEU A 82 -2.493 -2.949 1.477 1.00 0.00 C ATOM 1375 C LEU A 82 -3.762 -2.833 0.642 1.00 0.00 C ATOM 1376 O LEU A 82 -4.122 -1.743 0.192 1.00 0.00 O ATOM 1377 CB LEU A 82 -1.330 -3.498 0.632 1.00 0.00 C ATOM 1378 CG LEU A 82 -0.846 -2.609 -0.523 1.00 0.00 C ATOM 1379 CD1 LEU A 82 0.612 -2.901 -0.828 1.00 0.00 C ATOM 1380 CD2 LEU A 82 -1.681 -2.831 -1.775 1.00 0.00 C ATOM 0 H LEU A 82 -2.143 -4.647 2.658 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.223 -1.952 1.826 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.486 -3.687 1.295 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.632 -4.460 0.219 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.955 -1.569 -0.215 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.946 -2.266 -1.648 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.216 -2.699 0.057 1.00 0.00 H new ATOM 0 HD13 LEU A 82 0.722 -3.948 -1.112 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.315 -2.188 -2.575 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.604 -3.874 -2.083 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.723 -2.591 -1.565 1.00 0.00 H new ATOM 1392 N HIS A 83 -4.444 -3.957 0.454 1.00 0.00 N ATOM 1393 CA HIS A 83 -5.666 -3.978 -0.341 1.00 0.00 C ATOM 1394 C HIS A 83 -6.736 -3.066 0.248 1.00 0.00 C ATOM 1395 O HIS A 83 -7.213 -2.150 -0.422 1.00 0.00 O ATOM 1396 CB HIS A 83 -6.210 -5.403 -0.465 1.00 0.00 C ATOM 1397 CG HIS A 83 -5.603 -6.182 -1.585 1.00 0.00 C ATOM 1398 ND1 HIS A 83 -4.288 -6.592 -1.599 1.00 0.00 N ATOM 1399 CD2 HIS A 83 -6.140 -6.615 -2.746 1.00 0.00 C ATOM 1400 CE1 HIS A 83 -4.043 -7.236 -2.722 1.00 0.00 C ATOM 1401 NE2 HIS A 83 -5.150 -7.268 -3.440 1.00 0.00 N ATOM 0 H HIS A 83 -4.173 -4.862 0.839 1.00 0.00 H new ATOM 0 HA HIS A 83 -5.410 -3.607 -1.333 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -6.034 -5.932 0.471 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -7.290 -5.359 -0.608 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -3.610 -6.423 -0.856 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -7.161 -6.474 -3.070 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -3.094 -7.666 -3.007 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -5.253 -7.704 -4.356 1.00 0.00 H new ATOM 1410 N GLU A 84 -7.096 -3.295 1.503 1.00 0.00 N ATOM 1411 CA GLU A 84 -8.191 -2.555 2.118 1.00 0.00 C ATOM 1412 C GLU A 84 -7.807 -1.104 2.399 1.00 0.00 C ATOM 1413 O GLU A 84 -8.664 -0.219 2.394 1.00 0.00 O ATOM 1414 CB GLU A 84 -8.669 -3.258 3.390 1.00 0.00 C ATOM 1415 CG GLU A 84 -7.574 -3.574 4.389 1.00 0.00 C ATOM 1416 CD GLU A 84 -8.082 -4.446 5.516 1.00 0.00 C ATOM 1417 OE1 GLU A 84 -8.312 -5.653 5.284 1.00 0.00 O ATOM 1418 OE2 GLU A 84 -8.282 -3.932 6.631 1.00 0.00 O ATOM 0 H GLU A 84 -6.651 -3.981 2.112 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.017 -2.535 1.407 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -9.416 -2.631 3.877 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.166 -4.187 3.110 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.752 -4.078 3.881 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.175 -2.646 4.798 1.00 0.00 H new ATOM 1425 N ALA A 85 -6.521 -0.857 2.618 1.00 0.00 N ATOM 1426 CA ALA A 85 -6.042 0.499 2.841 1.00 0.00 C ATOM 1427 C ALA A 85 -6.213 1.343 1.583 1.00 0.00 C ATOM 1428 O ALA A 85 -6.668 2.487 1.648 1.00 0.00 O ATOM 1429 CB ALA A 85 -4.585 0.498 3.281 1.00 0.00 C ATOM 0 H ALA A 85 -5.796 -1.574 2.646 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.640 0.938 3.640 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -4.252 1.524 3.441 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -4.486 -0.064 4.209 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -3.972 0.034 2.508 1.00 0.00 H new ATOM 1435 N MET A 86 -5.866 0.767 0.434 1.00 0.00 N ATOM 1436 CA MET A 86 -6.013 1.470 -0.835 1.00 0.00 C ATOM 1437 C MET A 86 -7.468 1.499 -1.279 1.00 0.00 C ATOM 1438 O MET A 86 -7.877 2.393 -2.018 1.00 0.00 O ATOM 1439 CB MET A 86 -5.136 0.847 -1.923 1.00 0.00 C ATOM 1440 CG MET A 86 -3.660 1.162 -1.759 1.00 0.00 C ATOM 1441 SD MET A 86 -2.665 0.573 -3.141 1.00 0.00 S ATOM 1442 CE MET A 86 -1.085 1.315 -2.747 1.00 0.00 C ATOM 0 H MET A 86 -5.485 -0.176 0.357 1.00 0.00 H new ATOM 0 HA MET A 86 -5.680 2.496 -0.679 1.00 0.00 H new ATOM 0 HB2 MET A 86 -5.273 -0.234 -1.915 1.00 0.00 H new ATOM 0 HB3 MET A 86 -5.470 1.203 -2.897 1.00 0.00 H new ATOM 0 HG2 MET A 86 -3.532 2.240 -1.658 1.00 0.00 H new ATOM 0 HG3 MET A 86 -3.297 0.710 -0.836 1.00 0.00 H new ATOM 0 HE1 MET A 86 -0.356 1.045 -3.511 1.00 0.00 H new ATOM 0 HE2 MET A 86 -1.191 2.399 -2.713 1.00 0.00 H new ATOM 0 HE3 MET A 86 -0.745 0.953 -1.777 1.00 0.00 H new ATOM 1452 N SER A 87 -8.253 0.536 -0.809 1.00 0.00 N ATOM 1453 CA SER A 87 -9.682 0.526 -1.080 1.00 0.00 C ATOM 1454 C SER A 87 -10.321 1.801 -0.539 1.00 0.00 C ATOM 1455 O SER A 87 -11.205 2.375 -1.166 1.00 0.00 O ATOM 1456 CB SER A 87 -10.346 -0.707 -0.459 1.00 0.00 C ATOM 1457 OG SER A 87 -9.822 -1.907 -1.010 1.00 0.00 O ATOM 0 H SER A 87 -7.924 -0.244 -0.241 1.00 0.00 H new ATOM 0 HA SER A 87 -9.830 0.483 -2.159 1.00 0.00 H new ATOM 0 HB2 SER A 87 -10.191 -0.702 0.620 1.00 0.00 H new ATOM 0 HB3 SER A 87 -11.422 -0.667 -0.627 1.00 0.00 H new ATOM 0 HG SER A 87 -8.855 -1.942 -0.858 1.00 0.00 H new ATOM 1463 N GLN A 88 -9.832 2.257 0.615 1.00 0.00 N ATOM 1464 CA GLN A 88 -10.308 3.499 1.222 1.00 0.00 C ATOM 1465 C GLN A 88 -10.149 4.670 0.250 1.00 0.00 C ATOM 1466 O GLN A 88 -11.039 5.513 0.129 1.00 0.00 O ATOM 1467 CB GLN A 88 -9.544 3.787 2.519 1.00 0.00 C ATOM 1468 CG GLN A 88 -9.785 2.758 3.614 1.00 0.00 C ATOM 1469 CD GLN A 88 -8.910 2.979 4.837 1.00 0.00 C ATOM 1470 OE1 GLN A 88 -7.703 3.484 4.621 1.00 0.00 O flip ATOM 1471 NE2 GLN A 88 -9.310 2.684 5.963 1.00 0.00 N flip ATOM 0 H GLN A 88 -9.104 1.782 1.149 1.00 0.00 H new ATOM 0 HA GLN A 88 -11.366 3.381 1.455 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -8.477 3.828 2.300 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.832 4.771 2.888 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -10.833 2.791 3.912 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -9.599 1.761 3.216 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -10.246 2.298 6.087 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -8.706 2.826 6.772 1.00 0.00 H new ATOM 1480 N ALA A 89 -9.020 4.702 -0.452 1.00 0.00 N ATOM 1481 CA ALA A 89 -8.746 5.754 -1.428 1.00 0.00 C ATOM 1482 C ALA A 89 -9.729 5.681 -2.593 1.00 0.00 C ATOM 1483 O ALA A 89 -10.205 6.706 -3.088 1.00 0.00 O ATOM 1484 CB ALA A 89 -7.313 5.643 -1.932 1.00 0.00 C ATOM 0 H ALA A 89 -8.277 4.009 -0.363 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.871 6.720 -0.938 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -7.121 6.432 -2.659 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -6.624 5.746 -1.094 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -7.168 4.672 -2.404 1.00 0.00 H new ATOM 1490 N ARG A 90 -10.042 4.461 -3.010 1.00 0.00 N ATOM 1491 CA ARG A 90 -10.993 4.242 -4.092 1.00 0.00 C ATOM 1492 C ARG A 90 -12.382 4.730 -3.690 1.00 0.00 C ATOM 1493 O ARG A 90 -13.006 5.518 -4.402 1.00 0.00 O ATOM 1494 CB ARG A 90 -11.049 2.757 -4.463 1.00 0.00 C ATOM 1495 CG ARG A 90 -12.024 2.448 -5.588 1.00 0.00 C ATOM 1496 CD ARG A 90 -12.102 0.956 -5.862 1.00 0.00 C ATOM 1497 NE ARG A 90 -12.608 0.211 -4.707 1.00 0.00 N ATOM 1498 CZ ARG A 90 -12.285 -1.054 -4.440 1.00 0.00 C ATOM 1499 NH1 ARG A 90 -11.437 -1.700 -5.234 1.00 0.00 N ATOM 1500 NH2 ARG A 90 -12.801 -1.665 -3.383 1.00 0.00 N ATOM 0 H ARG A 90 -9.650 3.606 -2.614 1.00 0.00 H new ATOM 0 HA ARG A 90 -10.659 4.810 -4.960 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.053 2.426 -4.756 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -11.330 2.181 -3.581 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -13.013 2.823 -5.327 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -11.714 2.970 -6.493 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -12.750 0.779 -6.720 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.112 0.584 -6.128 1.00 0.00 H new ATOM 0 HE ARG A 90 -13.245 0.689 -4.069 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -11.036 -1.227 -6.044 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -11.187 -2.668 -5.033 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -13.447 -1.167 -2.771 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -12.552 -2.633 -3.182 1.00 0.00 H new ATOM 1514 N GLU A 91 -12.838 4.284 -2.525 1.00 0.00 N ATOM 1515 CA GLU A 91 -14.176 4.611 -2.042 1.00 0.00 C ATOM 1516 C GLU A 91 -14.322 6.113 -1.797 1.00 0.00 C ATOM 1517 O GLU A 91 -15.431 6.649 -1.816 1.00 0.00 O ATOM 1518 CB GLU A 91 -14.481 3.841 -0.755 1.00 0.00 C ATOM 1519 CG GLU A 91 -14.166 2.353 -0.828 1.00 0.00 C ATOM 1520 CD GLU A 91 -14.908 1.628 -1.933 1.00 0.00 C ATOM 1521 OE1 GLU A 91 -16.021 1.122 -1.674 1.00 0.00 O ATOM 1522 OE2 GLU A 91 -14.367 1.530 -3.057 1.00 0.00 O ATOM 0 H GLU A 91 -12.298 3.692 -1.894 1.00 0.00 H new ATOM 0 HA GLU A 91 -14.890 4.318 -2.812 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -13.911 4.282 0.063 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -15.536 3.966 -0.512 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -13.094 2.224 -0.977 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -14.413 1.891 0.128 1.00 0.00 H new ATOM 1529 N SER A 92 -13.199 6.788 -1.577 1.00 0.00 N ATOM 1530 CA SER A 92 -13.203 8.232 -1.365 1.00 0.00 C ATOM 1531 C SER A 92 -13.543 8.974 -2.654 1.00 0.00 C ATOM 1532 O SER A 92 -14.062 10.090 -2.618 1.00 0.00 O ATOM 1533 CB SER A 92 -11.846 8.698 -0.833 1.00 0.00 C ATOM 1534 OG SER A 92 -11.559 8.104 0.423 1.00 0.00 O ATOM 0 H SER A 92 -12.274 6.359 -1.541 1.00 0.00 H new ATOM 0 HA SER A 92 -13.970 8.461 -0.625 1.00 0.00 H new ATOM 0 HB2 SER A 92 -11.064 8.441 -1.548 1.00 0.00 H new ATOM 0 HB3 SER A 92 -11.844 9.784 -0.735 1.00 0.00 H new ATOM 0 HG SER A 92 -11.086 7.257 0.284 1.00 0.00 H new ATOM 1540 N GLY A 93 -13.263 8.346 -3.791 1.00 0.00 N ATOM 1541 CA GLY A 93 -13.563 8.965 -5.068 1.00 0.00 C ATOM 1542 C GLY A 93 -12.341 9.555 -5.738 1.00 0.00 C ATOM 1543 O GLY A 93 -12.442 10.160 -6.807 1.00 0.00 O ATOM 0 H GLY A 93 -12.835 7.422 -3.851 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -14.011 8.223 -5.729 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -14.305 9.750 -4.920 1.00 0.00 H new ATOM 1547 N LEU A 94 -11.181 9.385 -5.120 1.00 0.00 N ATOM 1548 CA LEU A 94 -9.941 9.899 -5.690 1.00 0.00 C ATOM 1549 C LEU A 94 -9.310 8.854 -6.609 1.00 0.00 C ATOM 1550 O LEU A 94 -8.469 9.168 -7.457 1.00 0.00 O ATOM 1551 CB LEU A 94 -8.972 10.329 -4.575 1.00 0.00 C ATOM 1552 CG LEU A 94 -8.497 9.221 -3.626 1.00 0.00 C ATOM 1553 CD1 LEU A 94 -7.244 8.546 -4.160 1.00 0.00 C ATOM 1554 CD2 LEU A 94 -8.244 9.778 -2.235 1.00 0.00 C ATOM 0 H LEU A 94 -11.071 8.899 -4.230 1.00 0.00 H new ATOM 0 HA LEU A 94 -10.165 10.781 -6.289 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -8.096 10.782 -5.039 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -9.455 11.105 -3.981 1.00 0.00 H new ATOM 0 HG LEU A 94 -9.287 8.473 -3.563 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.929 7.765 -3.468 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.455 8.105 -5.134 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.448 9.284 -4.261 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.908 8.976 -1.578 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -7.477 10.551 -2.286 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -9.166 10.207 -1.842 1.00 0.00 H new ATOM 1566 N LEU A 95 -9.730 7.609 -6.440 1.00 0.00 N ATOM 1567 CA LEU A 95 -9.247 6.513 -7.262 1.00 0.00 C ATOM 1568 C LEU A 95 -10.432 5.716 -7.793 1.00 0.00 C ATOM 1569 O LEU A 95 -11.203 5.155 -7.023 1.00 0.00 O ATOM 1570 CB LEU A 95 -8.317 5.612 -6.443 1.00 0.00 C ATOM 1571 CG LEU A 95 -7.670 4.463 -7.214 1.00 0.00 C ATOM 1572 CD1 LEU A 95 -6.812 4.990 -8.351 1.00 0.00 C ATOM 1573 CD2 LEU A 95 -6.833 3.607 -6.280 1.00 0.00 C ATOM 0 H LEU A 95 -10.411 7.332 -5.733 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.683 6.913 -8.105 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -7.527 6.229 -6.014 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -8.884 5.195 -5.611 1.00 0.00 H new ATOM 0 HG LEU A 95 -8.464 3.849 -7.640 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.362 4.153 -8.885 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.432 5.567 -9.037 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -6.026 5.628 -7.948 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.378 2.792 -6.843 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -6.051 4.218 -5.830 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.469 3.196 -5.496 1.00 0.00 H new ATOM 1585 N LEU A 96 -10.583 5.692 -9.109 1.00 0.00 N ATOM 1586 CA LEU A 96 -11.716 5.018 -9.739 1.00 0.00 C ATOM 1587 C LEU A 96 -11.413 3.548 -10.009 1.00 0.00 C ATOM 1588 O LEU A 96 -12.321 2.721 -10.087 1.00 0.00 O ATOM 1589 CB LEU A 96 -12.078 5.710 -11.057 1.00 0.00 C ATOM 1590 CG LEU A 96 -10.931 5.817 -12.069 1.00 0.00 C ATOM 1591 CD1 LEU A 96 -11.462 5.749 -13.488 1.00 0.00 C ATOM 1592 CD2 LEU A 96 -10.153 7.110 -11.864 1.00 0.00 C ATOM 0 H LEU A 96 -9.936 6.131 -9.764 1.00 0.00 H new ATOM 0 HA LEU A 96 -12.557 5.076 -9.048 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -12.902 5.167 -11.520 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -12.442 6.713 -10.835 1.00 0.00 H new ATOM 0 HG LEU A 96 -10.258 4.975 -11.907 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -10.633 5.827 -14.191 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -11.978 4.801 -13.638 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -12.158 6.571 -13.656 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -9.344 7.167 -12.592 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -10.821 7.961 -11.997 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -9.737 7.129 -10.857 1.00 0.00 H new ATOM 1604 N GLN A 97 -10.137 3.231 -10.152 1.00 0.00 N ATOM 1605 CA GLN A 97 -9.728 1.888 -10.533 1.00 0.00 C ATOM 1606 C GLN A 97 -9.256 1.102 -9.319 1.00 0.00 C ATOM 1607 O GLN A 97 -9.070 1.661 -8.240 1.00 0.00 O ATOM 1608 CB GLN A 97 -8.610 1.951 -11.572 1.00 0.00 C ATOM 1609 CG GLN A 97 -9.016 2.619 -12.874 1.00 0.00 C ATOM 1610 CD GLN A 97 -7.857 2.751 -13.839 1.00 0.00 C ATOM 1611 OE1 GLN A 97 -7.600 1.861 -14.651 1.00 0.00 O ATOM 1612 NE2 GLN A 97 -7.154 3.870 -13.771 1.00 0.00 N ATOM 0 H GLN A 97 -9.366 3.884 -10.010 1.00 0.00 H new ATOM 0 HA GLN A 97 -10.591 1.380 -10.964 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -7.763 2.490 -11.147 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -8.269 0.938 -11.786 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -9.812 2.041 -13.343 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -9.423 3.608 -12.661 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -7.397 4.584 -13.085 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -6.369 4.018 -14.405 1.00 0.00 H new ATOM 1621 N ASN A 98 -9.057 -0.194 -9.499 1.00 0.00 N ATOM 1622 CA ASN A 98 -8.554 -1.032 -8.423 1.00 0.00 C ATOM 1623 C ASN A 98 -7.264 -1.737 -8.846 1.00 0.00 C ATOM 1624 O ASN A 98 -7.281 -2.741 -9.557 1.00 0.00 O ATOM 1625 CB ASN A 98 -9.620 -2.041 -7.955 1.00 0.00 C ATOM 1626 CG ASN A 98 -10.145 -2.945 -9.061 1.00 0.00 C ATOM 1627 OD1 ASN A 98 -9.627 -4.039 -9.287 1.00 0.00 O ATOM 1628 ND2 ASN A 98 -11.183 -2.499 -9.751 1.00 0.00 N ATOM 0 H ASN A 98 -9.235 -0.686 -10.375 1.00 0.00 H new ATOM 0 HA ASN A 98 -8.322 -0.389 -7.574 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -9.197 -2.660 -7.164 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -10.456 -1.494 -7.519 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -11.580 -3.067 -10.499 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -11.585 -1.587 -9.535 1.00 0.00 H new ATOM 1635 N PRO A 99 -6.112 -1.183 -8.448 1.00 0.00 N ATOM 1636 CA PRO A 99 -4.807 -1.774 -8.726 1.00 0.00 C ATOM 1637 C PRO A 99 -4.490 -2.909 -7.760 1.00 0.00 C ATOM 1638 O PRO A 99 -3.620 -3.739 -8.016 1.00 0.00 O ATOM 1639 CB PRO A 99 -3.822 -0.607 -8.533 1.00 0.00 C ATOM 1640 CG PRO A 99 -4.660 0.597 -8.222 1.00 0.00 C ATOM 1641 CD PRO A 99 -5.978 0.082 -7.722 1.00 0.00 C ATOM 0 HA PRO A 99 -4.758 -2.213 -9.723 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -3.124 -0.816 -7.722 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -3.227 -0.446 -9.432 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -4.177 1.222 -7.470 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -4.796 1.214 -9.110 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -5.974 -0.067 -6.642 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -6.795 0.768 -7.946 1.00 0.00 H new ATOM 1649 N THR A 100 -5.225 -2.945 -6.659 1.00 0.00 N ATOM 1650 CA THR A 100 -5.005 -3.926 -5.617 1.00 0.00 C ATOM 1651 C THR A 100 -5.514 -5.306 -6.023 1.00 0.00 C ATOM 1652 O THR A 100 -4.794 -6.300 -5.921 1.00 0.00 O ATOM 1653 CB THR A 100 -5.693 -3.476 -4.319 1.00 0.00 C ATOM 1654 OG1 THR A 100 -6.974 -2.908 -4.629 1.00 0.00 O ATOM 1655 CG2 THR A 100 -4.849 -2.450 -3.581 1.00 0.00 C ATOM 0 H THR A 100 -5.988 -2.295 -6.467 1.00 0.00 H new ATOM 0 HA THR A 100 -3.930 -4.002 -5.455 1.00 0.00 H new ATOM 0 HB THR A 100 -5.817 -4.347 -3.675 1.00 0.00 H new ATOM 0 HG1 THR A 100 -7.677 -3.424 -4.182 1.00 0.00 H new ATOM 0 HG21 THR A 100 -5.360 -2.149 -2.666 1.00 0.00 H new ATOM 0 HG22 THR A 100 -3.882 -2.887 -3.330 1.00 0.00 H new ATOM 0 HG23 THR A 100 -4.699 -1.577 -4.217 1.00 0.00 H new ATOM 1663 N GLU A 101 -6.756 -5.369 -6.480 1.00 0.00 N ATOM 1664 CA GLU A 101 -7.356 -6.635 -6.889 1.00 0.00 C ATOM 1665 C GLU A 101 -6.713 -7.153 -8.167 1.00 0.00 C ATOM 1666 O GLU A 101 -6.803 -8.338 -8.490 1.00 0.00 O ATOM 1667 CB GLU A 101 -8.864 -6.483 -7.087 1.00 0.00 C ATOM 1668 CG GLU A 101 -9.649 -6.389 -5.790 1.00 0.00 C ATOM 1669 CD GLU A 101 -9.498 -5.058 -5.078 1.00 0.00 C ATOM 1670 OE1 GLU A 101 -8.556 -4.913 -4.271 1.00 0.00 O ATOM 1671 OE2 GLU A 101 -10.328 -4.154 -5.319 1.00 0.00 O ATOM 0 H GLU A 101 -7.369 -4.560 -6.578 1.00 0.00 H new ATOM 0 HA GLU A 101 -7.179 -7.358 -6.093 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -9.054 -5.589 -7.681 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -9.232 -7.332 -7.662 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -10.705 -6.559 -6.002 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -9.325 -7.187 -5.122 1.00 0.00 H new ATOM 1678 N ALA A 102 -6.057 -6.251 -8.875 1.00 0.00 N ATOM 1679 CA ALA A 102 -5.375 -6.590 -10.118 1.00 0.00 C ATOM 1680 C ALA A 102 -3.913 -6.974 -9.871 1.00 0.00 C ATOM 1681 O ALA A 102 -3.127 -7.100 -10.813 1.00 0.00 O ATOM 1682 CB ALA A 102 -5.459 -5.428 -11.095 1.00 0.00 C ATOM 0 H ALA A 102 -5.980 -5.269 -8.610 1.00 0.00 H new ATOM 0 HA ALA A 102 -5.876 -7.457 -10.549 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -4.946 -5.692 -12.020 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -6.505 -5.208 -11.310 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -4.986 -4.549 -10.657 1.00 0.00 H new ATOM 1688 N ALA A 103 -3.553 -7.175 -8.609 1.00 0.00 N ATOM 1689 CA ALA A 103 -2.207 -7.612 -8.266 1.00 0.00 C ATOM 1690 C ALA A 103 -2.134 -9.130 -8.314 1.00 0.00 C ATOM 1691 O ALA A 103 -3.113 -9.812 -8.007 1.00 0.00 O ATOM 1692 CB ALA A 103 -1.811 -7.099 -6.890 1.00 0.00 C ATOM 0 H ALA A 103 -4.172 -7.043 -7.809 1.00 0.00 H new ATOM 0 HA ALA A 103 -1.506 -7.201 -8.992 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -0.802 -7.436 -6.652 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -1.840 -6.009 -6.886 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -2.507 -7.483 -6.144 1.00 0.00 H new ATOM 1698 N LYS A 104 -0.979 -9.653 -8.701 1.00 0.00 N ATOM 1699 CA LYS A 104 -0.843 -11.080 -8.961 1.00 0.00 C ATOM 1700 C LYS A 104 -0.834 -11.904 -7.680 1.00 0.00 C ATOM 1701 O LYS A 104 -0.062 -11.642 -6.759 1.00 0.00 O ATOM 1702 CB LYS A 104 0.426 -11.375 -9.758 1.00 0.00 C ATOM 1703 CG LYS A 104 0.549 -12.835 -10.144 1.00 0.00 C ATOM 1704 CD LYS A 104 1.708 -13.079 -11.085 1.00 0.00 C ATOM 1705 CE LYS A 104 1.510 -14.376 -11.844 1.00 0.00 C ATOM 1706 NZ LYS A 104 0.218 -14.376 -12.581 1.00 0.00 N ATOM 0 H LYS A 104 -0.125 -9.113 -8.842 1.00 0.00 H new ATOM 0 HA LYS A 104 -1.717 -11.368 -9.546 1.00 0.00 H new ATOM 0 HB2 LYS A 104 0.434 -10.763 -10.660 1.00 0.00 H new ATOM 0 HB3 LYS A 104 1.296 -11.085 -9.169 1.00 0.00 H new ATOM 0 HG2 LYS A 104 0.679 -13.437 -9.245 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -0.377 -13.164 -10.617 1.00 0.00 H new ATOM 0 HD2 LYS A 104 1.795 -12.250 -11.787 1.00 0.00 H new ATOM 0 HD3 LYS A 104 2.640 -13.119 -10.521 1.00 0.00 H new ATOM 0 HE2 LYS A 104 2.332 -14.519 -12.546 1.00 0.00 H new ATOM 0 HE3 LYS A 104 1.535 -15.215 -11.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 0.365 -14.753 -13.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -0.469 -14.971 -12.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -0.146 -13.404 -12.643 1.00 0.00 H new ATOM 1720 N PRO A 105 -1.709 -12.914 -7.619 1.00 0.00 N ATOM 1721 CA PRO A 105 -1.721 -13.885 -6.532 1.00 0.00 C ATOM 1722 C PRO A 105 -0.667 -14.975 -6.725 1.00 0.00 C ATOM 1723 O PRO A 105 -0.410 -15.411 -7.854 1.00 0.00 O ATOM 1724 CB PRO A 105 -3.123 -14.481 -6.628 1.00 0.00 C ATOM 1725 CG PRO A 105 -3.488 -14.383 -8.068 1.00 0.00 C ATOM 1726 CD PRO A 105 -2.776 -13.171 -8.607 1.00 0.00 C ATOM 0 HA PRO A 105 -1.493 -13.433 -5.567 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -3.135 -15.516 -6.288 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -3.828 -13.932 -6.004 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -3.187 -15.281 -8.607 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -4.567 -14.285 -8.189 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -2.365 -13.358 -9.599 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -3.450 -12.319 -8.697 1.00 0.00 H new ATOM 1734 N PRO A 106 -0.027 -15.422 -5.631 1.00 0.00 N ATOM 1735 CA PRO A 106 0.906 -16.551 -5.675 1.00 0.00 C ATOM 1736 C PRO A 106 0.200 -17.817 -6.145 1.00 0.00 C ATOM 1737 O PRO A 106 0.480 -18.336 -7.225 1.00 0.00 O ATOM 1738 CB PRO A 106 1.377 -16.701 -4.224 1.00 0.00 C ATOM 1739 CG PRO A 106 1.071 -15.392 -3.580 1.00 0.00 C ATOM 1740 CD PRO A 106 -0.147 -14.857 -4.280 1.00 0.00 C ATOM 0 HA PRO A 106 1.730 -16.387 -6.369 1.00 0.00 H new ATOM 0 HB2 PRO A 106 0.857 -17.518 -3.723 1.00 0.00 H new ATOM 0 HB3 PRO A 106 2.443 -16.924 -4.176 1.00 0.00 H new ATOM 0 HG2 PRO A 106 0.884 -15.517 -2.513 1.00 0.00 H new ATOM 0 HG3 PRO A 106 1.911 -14.704 -3.678 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -1.067 -15.176 -3.790 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -0.156 -13.767 -4.298 1.00 0.00 H new ATOM 1748 N ARG A 107 -0.732 -18.296 -5.334 1.00 0.00 N ATOM 1749 CA ARG A 107 -1.601 -19.393 -5.724 1.00 0.00 C ATOM 1750 C ARG A 107 -3.047 -18.999 -5.458 1.00 0.00 C ATOM 1751 O ARG A 107 -3.805 -18.719 -6.385 1.00 0.00 O ATOM 1752 CB ARG A 107 -1.241 -20.679 -4.974 1.00 0.00 C ATOM 1753 CG ARG A 107 0.143 -21.211 -5.315 1.00 0.00 C ATOM 1754 CD ARG A 107 0.407 -22.566 -4.679 1.00 0.00 C ATOM 1755 NE ARG A 107 1.696 -23.118 -5.094 1.00 0.00 N ATOM 1756 CZ ARG A 107 1.845 -24.312 -5.664 1.00 0.00 C ATOM 1757 NH1 ARG A 107 0.788 -25.089 -5.866 1.00 0.00 N ATOM 1758 NH2 ARG A 107 3.050 -24.725 -6.037 1.00 0.00 N ATOM 0 H ARG A 107 -0.905 -17.938 -4.395 1.00 0.00 H new ATOM 0 HA ARG A 107 -1.468 -19.592 -6.787 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -1.296 -20.493 -3.901 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -1.983 -21.444 -5.203 1.00 0.00 H new ATOM 0 HG2 ARG A 107 0.243 -21.293 -6.397 1.00 0.00 H new ATOM 0 HG3 ARG A 107 0.897 -20.500 -4.979 1.00 0.00 H new ATOM 0 HD2 ARG A 107 0.386 -22.469 -3.594 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -0.390 -23.258 -4.953 1.00 0.00 H new ATOM 0 HE ARG A 107 2.531 -22.554 -4.937 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -0.140 -24.772 -5.584 1.00 0.00 H new ATOM 0 HH12 ARG A 107 0.903 -26.004 -6.303 1.00 0.00 H new ATOM 0 HH21 ARG A 107 3.863 -24.128 -5.887 1.00 0.00 H new ATOM 0 HH22 ARG A 107 3.163 -25.640 -6.474 1.00 0.00 H new ATOM 1772 N HIS A 108 -3.417 -18.946 -4.187 1.00 0.00 N ATOM 1773 CA HIS A 108 -4.726 -18.441 -3.794 1.00 0.00 C ATOM 1774 C HIS A 108 -4.607 -17.583 -2.544 1.00 0.00 C ATOM 1775 O HIS A 108 -4.463 -18.096 -1.435 1.00 0.00 O ATOM 1776 CB HIS A 108 -5.730 -19.576 -3.563 1.00 0.00 C ATOM 1777 CG HIS A 108 -6.285 -20.157 -4.832 1.00 0.00 C ATOM 1778 ND1 HIS A 108 -7.265 -19.535 -5.580 1.00 0.00 N ATOM 1779 CD2 HIS A 108 -5.987 -21.303 -5.489 1.00 0.00 C ATOM 1780 CE1 HIS A 108 -7.545 -20.274 -6.636 1.00 0.00 C ATOM 1781 NE2 HIS A 108 -6.784 -21.350 -6.606 1.00 0.00 N ATOM 0 H HIS A 108 -2.830 -19.246 -3.409 1.00 0.00 H new ATOM 0 HA HIS A 108 -5.102 -17.830 -4.615 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -5.245 -20.368 -2.993 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -6.553 -19.203 -2.954 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -5.258 -22.042 -5.190 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -8.274 -20.038 -7.397 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -6.787 -22.097 -7.301 1.00 0.00 H new ATOM 1790 N PRO A 109 -4.640 -16.254 -2.716 1.00 0.00 N ATOM 1791 CA PRO A 109 -4.522 -15.316 -1.609 1.00 0.00 C ATOM 1792 C PRO A 109 -5.857 -15.100 -0.913 1.00 0.00 C ATOM 1793 O PRO A 109 -5.923 -14.526 0.174 1.00 0.00 O ATOM 1794 CB PRO A 109 -4.051 -14.041 -2.297 1.00 0.00 C ATOM 1795 CG PRO A 109 -4.672 -14.096 -3.649 1.00 0.00 C ATOM 1796 CD PRO A 109 -4.802 -15.560 -4.007 1.00 0.00 C ATOM 0 HA PRO A 109 -3.848 -15.663 -0.826 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -4.369 -13.154 -1.750 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -2.964 -14.003 -2.361 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -5.648 -13.610 -3.647 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -4.056 -13.572 -4.380 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -5.770 -15.777 -4.459 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -4.040 -15.866 -4.724 1.00 0.00 H new ATOM 1804 N LEU A 110 -6.921 -15.550 -1.566 1.00 0.00 N ATOM 1805 CA LEU A 110 -8.236 -15.567 -0.960 1.00 0.00 C ATOM 1806 C LEU A 110 -8.345 -16.815 -0.103 1.00 0.00 C ATOM 1807 O LEU A 110 -8.867 -17.852 -0.524 1.00 0.00 O ATOM 1808 CB LEU A 110 -9.346 -15.524 -2.017 1.00 0.00 C ATOM 1809 CG LEU A 110 -9.481 -14.201 -2.787 1.00 0.00 C ATOM 1810 CD1 LEU A 110 -9.438 -13.015 -1.835 1.00 0.00 C ATOM 1811 CD2 LEU A 110 -8.408 -14.074 -3.860 1.00 0.00 C ATOM 0 H LEU A 110 -6.893 -15.909 -2.520 1.00 0.00 H new ATOM 0 HA LEU A 110 -8.364 -14.678 -0.343 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -9.170 -16.325 -2.735 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -10.297 -15.737 -1.528 1.00 0.00 H new ATOM 0 HG LEU A 110 -10.450 -14.203 -3.286 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -9.535 -12.089 -2.402 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -10.258 -13.091 -1.121 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -8.489 -13.014 -1.298 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -8.531 -13.128 -4.387 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -7.423 -14.105 -3.395 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -8.502 -14.898 -4.567 1.00 0.00 H new ATOM 1823 N GLU A 111 -7.792 -16.702 1.086 1.00 0.00 N ATOM 1824 CA GLU A 111 -7.585 -17.829 1.968 1.00 0.00 C ATOM 1825 C GLU A 111 -8.610 -17.819 3.094 1.00 0.00 C ATOM 1826 O GLU A 111 -8.989 -16.753 3.581 1.00 0.00 O ATOM 1827 CB GLU A 111 -6.158 -17.732 2.515 1.00 0.00 C ATOM 1828 CG GLU A 111 -5.757 -18.830 3.478 1.00 0.00 C ATOM 1829 CD GLU A 111 -4.291 -18.742 3.849 1.00 0.00 C ATOM 1830 OE1 GLU A 111 -3.928 -17.880 4.679 1.00 0.00 O ATOM 1831 OE2 GLU A 111 -3.489 -19.532 3.310 1.00 0.00 O ATOM 0 H GLU A 111 -7.470 -15.814 1.471 1.00 0.00 H new ATOM 0 HA GLU A 111 -7.713 -18.768 1.430 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -5.464 -17.737 1.675 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -6.044 -16.771 3.017 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -6.365 -18.763 4.380 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -5.961 -19.801 3.028 1.00 0.00 H new ATOM 1838 N HIS A 112 -9.061 -19.005 3.498 1.00 0.00 N ATOM 1839 CA HIS A 112 -10.019 -19.139 4.600 1.00 0.00 C ATOM 1840 C HIS A 112 -9.330 -18.904 5.942 1.00 0.00 C ATOM 1841 O HIS A 112 -9.402 -19.725 6.855 1.00 0.00 O ATOM 1842 CB HIS A 112 -10.705 -20.517 4.576 1.00 0.00 C ATOM 1843 CG HIS A 112 -9.769 -21.693 4.522 1.00 0.00 C ATOM 1844 ND1 HIS A 112 -9.504 -22.377 3.360 1.00 0.00 N ATOM 1845 CD2 HIS A 112 -9.053 -22.315 5.491 1.00 0.00 C ATOM 1846 CE1 HIS A 112 -8.672 -23.366 3.612 1.00 0.00 C ATOM 1847 NE2 HIS A 112 -8.378 -23.352 4.896 1.00 0.00 N ATOM 0 H HIS A 112 -8.779 -19.891 3.079 1.00 0.00 H new ATOM 0 HA HIS A 112 -10.790 -18.379 4.469 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -11.330 -20.610 5.464 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -11.369 -20.560 3.713 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -9.020 -22.045 6.536 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -8.294 -24.071 2.887 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -7.752 -24.004 5.370 1.00 0.00 H new ATOM 1856 N HIS A 113 -8.674 -17.768 6.052 1.00 0.00 N ATOM 1857 CA HIS A 113 -7.865 -17.450 7.209 1.00 0.00 C ATOM 1858 C HIS A 113 -7.835 -15.938 7.421 1.00 0.00 C ATOM 1859 O HIS A 113 -7.085 -15.218 6.762 1.00 0.00 O ATOM 1860 CB HIS A 113 -6.457 -18.045 7.006 1.00 0.00 C ATOM 1861 CG HIS A 113 -5.345 -17.383 7.765 1.00 0.00 C ATOM 1862 ND1 HIS A 113 -4.172 -16.997 7.157 1.00 0.00 N ATOM 1863 CD2 HIS A 113 -5.218 -17.047 9.070 1.00 0.00 C ATOM 1864 CE1 HIS A 113 -3.374 -16.450 8.051 1.00 0.00 C ATOM 1865 NE2 HIS A 113 -3.983 -16.466 9.219 1.00 0.00 N ATOM 0 H HIS A 113 -8.687 -17.038 5.340 1.00 0.00 H new ATOM 0 HA HIS A 113 -8.291 -17.888 8.112 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -6.485 -19.098 7.288 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -6.218 -18.006 5.943 1.00 0.00 H new ATOM 0 HD1 HIS A 113 -3.954 -17.116 6.168 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -5.950 -17.206 9.848 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -2.387 -16.055 7.859 1.00 0.00 H new ATOM 1874 N HIS A 114 -8.693 -15.463 8.310 1.00 0.00 N ATOM 1875 CA HIS A 114 -8.722 -14.053 8.668 1.00 0.00 C ATOM 1876 C HIS A 114 -8.763 -13.920 10.186 1.00 0.00 C ATOM 1877 O HIS A 114 -7.767 -13.550 10.802 1.00 0.00 O ATOM 1878 CB HIS A 114 -9.930 -13.353 8.034 1.00 0.00 C ATOM 1879 CG HIS A 114 -9.908 -11.860 8.182 1.00 0.00 C ATOM 1880 ND1 HIS A 114 -10.730 -11.174 9.049 1.00 0.00 N ATOM 1881 CD2 HIS A 114 -9.153 -10.917 7.563 1.00 0.00 C ATOM 1882 CE1 HIS A 114 -10.483 -9.882 8.958 1.00 0.00 C ATOM 1883 NE2 HIS A 114 -9.533 -9.699 8.065 1.00 0.00 N ATOM 0 H HIS A 114 -9.381 -16.036 8.799 1.00 0.00 H new ATOM 0 HA HIS A 114 -7.822 -13.571 8.287 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -9.969 -13.604 6.974 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -10.842 -13.741 8.487 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -8.394 -11.093 6.815 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -10.977 -9.104 9.521 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -9.143 -8.797 7.791 1.00 0.00 H new ATOM 1892 N HIS A 115 -9.920 -14.255 10.762 1.00 0.00 N ATOM 1893 CA HIS A 115 -10.125 -14.297 12.216 1.00 0.00 C ATOM 1894 C HIS A 115 -9.865 -12.946 12.892 1.00 0.00 C ATOM 1895 O HIS A 115 -8.732 -12.475 12.964 1.00 0.00 O ATOM 1896 CB HIS A 115 -9.244 -15.381 12.854 1.00 0.00 C ATOM 1897 CG HIS A 115 -9.551 -15.628 14.300 1.00 0.00 C ATOM 1898 ND1 HIS A 115 -10.398 -16.629 14.723 1.00 0.00 N ATOM 1899 CD2 HIS A 115 -9.129 -14.998 15.423 1.00 0.00 C ATOM 1900 CE1 HIS A 115 -10.482 -16.606 16.037 1.00 0.00 C ATOM 1901 NE2 HIS A 115 -9.724 -15.628 16.487 1.00 0.00 N ATOM 0 H HIS A 115 -10.751 -14.508 10.228 1.00 0.00 H new ATOM 0 HA HIS A 115 -11.176 -14.540 12.375 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -9.369 -16.312 12.300 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -8.198 -15.091 12.758 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -8.452 -14.158 15.472 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -11.073 -17.276 16.643 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -9.599 -15.379 17.468 1.00 0.00 H new ATOM 1910 N HIS A 116 -10.916 -12.338 13.417 1.00 0.00 N ATOM 1911 CA HIS A 116 -10.769 -11.093 14.155 1.00 0.00 C ATOM 1912 C HIS A 116 -10.254 -11.382 15.559 1.00 0.00 C ATOM 1913 O HIS A 116 -10.946 -12.007 16.363 1.00 0.00 O ATOM 1914 CB HIS A 116 -12.097 -10.335 14.235 1.00 0.00 C ATOM 1915 CG HIS A 116 -11.964 -8.984 14.868 1.00 0.00 C ATOM 1916 ND1 HIS A 116 -12.261 -8.732 16.192 1.00 0.00 N ATOM 1917 CD2 HIS A 116 -11.537 -7.810 14.352 1.00 0.00 C ATOM 1918 CE1 HIS A 116 -12.020 -7.461 16.459 1.00 0.00 C ATOM 1919 NE2 HIS A 116 -11.577 -6.878 15.357 1.00 0.00 N ATOM 0 H HIS A 116 -11.874 -12.682 13.347 1.00 0.00 H new ATOM 0 HA HIS A 116 -10.052 -10.467 13.624 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -12.505 -10.221 13.231 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -12.813 -10.928 14.804 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -11.222 -7.637 13.334 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -12.161 -6.979 17.415 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -11.310 -5.898 15.270 1.00 0.00 H new ATOM 1928 N HIS A 117 -9.037 -10.943 15.837 1.00 0.00 N ATOM 1929 CA HIS A 117 -8.431 -11.144 17.145 1.00 0.00 C ATOM 1930 C HIS A 117 -9.163 -10.324 18.203 1.00 0.00 C ATOM 1931 O HIS A 117 -9.972 -10.904 18.953 1.00 0.00 O ATOM 1932 CB HIS A 117 -6.950 -10.755 17.112 1.00 0.00 C ATOM 1933 CG HIS A 117 -6.206 -11.096 18.367 1.00 0.00 C ATOM 1934 ND1 HIS A 117 -6.008 -10.200 19.392 1.00 0.00 N ATOM 1935 CD2 HIS A 117 -5.606 -12.246 18.757 1.00 0.00 C ATOM 1936 CE1 HIS A 117 -5.321 -10.782 20.358 1.00 0.00 C ATOM 1937 NE2 HIS A 117 -5.064 -12.026 19.998 1.00 0.00 N ATOM 1938 OXT HIS A 117 -8.927 -9.099 18.277 1.00 0.00 O ATOM 0 H HIS A 117 -8.447 -10.443 15.172 1.00 0.00 H new ATOM 0 HA HIS A 117 -8.511 -12.200 17.403 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -6.471 -11.255 16.270 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -6.870 -9.683 16.933 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -5.562 -13.167 18.194 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -5.020 -10.319 21.286 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -4.548 -12.710 20.551 1.00 0.00 H new TER 1947 HIS A 117