USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 839 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 51 THR OG1 : rot 98:sc= -0.33 USER MOD Set 1.2: A 97 MET CE :methyl -115:sc= -0.986 (180deg=-2.94!) USER MOD Set 2.1: A 59 MET CE :methyl 163:sc= -0.454 (180deg=-0.316) USER MOD Set 2.2: A 88 MET CE :methyl -153:sc= -2.89 (180deg=-4.44!) USER MOD Set 3.1: A 13 SER OG : rot 32:sc= 0.595 USER MOD Set 3.2: A 32 THR OG1 : rot 112:sc= 0.734 USER MOD Single : A 3 HIS : no HD1:sc= -2.49! C(o=-2.5!,f=-3.2!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot 46:sc= 0.195 USER MOD Single : A 28 THR OG1 : rot -69:sc= 0.773 USER MOD Single : A 31 SER OG : rot -7:sc= 0.271 USER MOD Single : A 36 LYS NZ :NH3+ 133:sc= -0.244 (180deg=-1.22) USER MOD Single : A 38 HIS : no HD1:sc= -5! C(o=-5!,f=-5.1!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -150:sc= -1.73 USER MOD Single : A 44 THR OG1 : rot -33:sc= -0.0181 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -4.55! C(o=-4.5!,f=-13!) USER MOD Single : A 58 MET CE :methyl -131:sc= -2.58! (180deg=-5.9!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0.092) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HD1:sc= -8.36 K(o=-8.4,f=-7.3!) USER MOD Single : A 90 SER OG : rot 180:sc= -0.0699 USER MOD Single : A 92 ASN : amide:sc= -0.204 K(o=-0.2,f=-2.3!) USER MOD Single : A 93 ASN : amide:sc= -1.1 K(o=-1.1,f=-4.3!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -1.64 X(o=-1.6,f=-1.9) USER MOD Single : A 101 LYS NZ :NH3+ 147:sc= 0.119 (180deg=0) USER MOD Single : A 102 MET CE :methyl 180:sc= -0.975 (180deg=-0.975) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= -2.74! C(o=-2.7!,f=-5.5!) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 SER OG : rot 180:sc= -0.746 USER MOD Single : A 111 TYR OH : rot 119:sc= -4.48! USER MOD Single : A 112 LYS NZ :NH3+ -151:sc= -0.577 (180deg=-2.67!) USER MOD ----------------------------------------------------------------- ATOM 28 N HIS A 3 -2.961 -13.453 -6.450 1.00 0.00 N ATOM 29 CA HIS A 3 -2.464 -12.292 -7.179 1.00 0.00 C ATOM 30 C HIS A 3 -3.601 -11.338 -7.531 1.00 0.00 C ATOM 31 O HIS A 3 -3.514 -10.585 -8.501 1.00 0.00 O ATOM 32 CB HIS A 3 -1.742 -12.738 -8.450 1.00 0.00 C ATOM 33 CG HIS A 3 -0.407 -13.360 -8.183 1.00 0.00 C ATOM 34 ND1 HIS A 3 0.006 -14.539 -8.768 1.00 0.00 N ATOM 35 CD2 HIS A 3 0.610 -12.962 -7.383 1.00 0.00 C ATOM 36 CE1 HIS A 3 1.219 -14.841 -8.336 1.00 0.00 C ATOM 37 NE2 HIS A 3 1.607 -13.899 -7.496 1.00 0.00 N ATOM 0 HA HIS A 3 -1.762 -11.763 -6.535 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -2.368 -13.453 -8.984 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -1.610 -11.878 -9.106 1.00 0.00 H new ATOM 0 HD2 HIS A 3 0.633 -12.073 -6.770 1.00 0.00 H new ATOM 0 HE1 HIS A 3 1.794 -15.710 -8.621 1.00 0.00 H new ATOM 0 HE2 HIS A 3 2.503 -13.872 -7.009 1.00 0.00 H new ATOM 46 N SER A 4 -4.665 -11.369 -6.733 1.00 0.00 N ATOM 47 CA SER A 4 -5.814 -10.502 -6.960 1.00 0.00 C ATOM 48 C SER A 4 -6.665 -10.379 -5.702 1.00 0.00 C ATOM 49 O SER A 4 -6.651 -11.255 -4.837 1.00 0.00 O ATOM 50 CB SER A 4 -6.665 -11.023 -8.120 1.00 0.00 C ATOM 51 OG SER A 4 -7.044 -12.372 -7.909 1.00 0.00 O ATOM 0 H SER A 4 -4.754 -11.985 -5.925 1.00 0.00 H new ATOM 0 HA SER A 4 -5.436 -9.513 -7.218 1.00 0.00 H new ATOM 0 HB2 SER A 4 -7.556 -10.404 -8.228 1.00 0.00 H new ATOM 0 HB3 SER A 4 -6.105 -10.941 -9.052 1.00 0.00 H new ATOM 0 HG SER A 4 -7.588 -12.681 -8.663 1.00 0.00 H new ATOM 57 N GLY A 5 -7.396 -9.278 -5.613 1.00 0.00 N ATOM 58 CA GLY A 5 -8.246 -9.026 -4.468 1.00 0.00 C ATOM 59 C GLY A 5 -8.834 -7.635 -4.517 1.00 0.00 C ATOM 60 O GLY A 5 -8.140 -6.678 -4.846 1.00 0.00 O ATOM 0 H GLY A 5 -7.415 -8.546 -6.323 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -9.049 -9.762 -4.440 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.670 -9.148 -3.551 1.00 0.00 H new ATOM 64 N ALA A 6 -10.118 -7.521 -4.213 1.00 0.00 N ATOM 65 CA ALA A 6 -10.792 -6.233 -4.254 1.00 0.00 C ATOM 66 C ALA A 6 -10.509 -5.397 -3.008 1.00 0.00 C ATOM 67 O ALA A 6 -10.487 -5.910 -1.890 1.00 0.00 O ATOM 68 CB ALA A 6 -12.280 -6.439 -4.457 1.00 0.00 C ATOM 0 H ALA A 6 -10.712 -8.302 -3.936 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.396 -5.669 -5.099 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -12.781 -5.471 -4.487 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -12.450 -6.965 -5.397 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -12.681 -7.030 -3.633 1.00 0.00 H new ATOM 74 N ALA A 7 -10.277 -4.102 -3.222 1.00 0.00 N ATOM 75 CA ALA A 7 -9.972 -3.177 -2.134 1.00 0.00 C ATOM 76 C ALA A 7 -10.519 -1.778 -2.417 1.00 0.00 C ATOM 77 O ALA A 7 -10.998 -1.501 -3.515 1.00 0.00 O ATOM 78 CB ALA A 7 -8.470 -3.121 -1.912 1.00 0.00 C ATOM 0 H ALA A 7 -10.295 -3.669 -4.145 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.458 -3.544 -1.230 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -8.248 -2.429 -1.099 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.103 -4.114 -1.654 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.980 -2.779 -2.824 1.00 0.00 H new ATOM 84 N ILE A 8 -10.448 -0.901 -1.414 1.00 0.00 N ATOM 85 CA ILE A 8 -10.939 0.471 -1.554 1.00 0.00 C ATOM 86 C ILE A 8 -9.792 1.447 -1.791 1.00 0.00 C ATOM 87 O ILE A 8 -8.817 1.462 -1.043 1.00 0.00 O ATOM 88 CB ILE A 8 -11.707 0.945 -0.294 1.00 0.00 C ATOM 89 CG1 ILE A 8 -12.914 0.044 0.030 1.00 0.00 C ATOM 90 CG2 ILE A 8 -12.165 2.388 -0.466 1.00 0.00 C ATOM 91 CD1 ILE A 8 -13.182 -1.050 -0.978 1.00 0.00 C ATOM 0 H ILE A 8 -10.056 -1.116 -0.497 1.00 0.00 H new ATOM 0 HA ILE A 8 -11.613 0.461 -2.411 1.00 0.00 H new ATOM 0 HB ILE A 8 -11.016 0.879 0.546 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -12.755 -0.413 1.007 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -13.804 0.669 0.111 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -12.703 2.708 0.426 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -11.297 3.030 -0.616 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -12.823 2.460 -1.332 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -14.050 -1.630 -0.663 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -13.377 -0.606 -1.954 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -12.313 -1.704 -1.044 1.00 0.00 H new ATOM 103 N PHE A 9 -9.925 2.283 -2.814 1.00 0.00 N ATOM 104 CA PHE A 9 -8.902 3.277 -3.113 1.00 0.00 C ATOM 105 C PHE A 9 -9.487 4.684 -3.150 1.00 0.00 C ATOM 106 O PHE A 9 -10.224 5.040 -4.070 1.00 0.00 O ATOM 107 CB PHE A 9 -8.216 2.987 -4.443 1.00 0.00 C ATOM 108 CG PHE A 9 -7.189 4.020 -4.804 1.00 0.00 C ATOM 109 CD1 PHE A 9 -6.056 4.187 -4.027 1.00 0.00 C ATOM 110 CD2 PHE A 9 -7.360 4.824 -5.917 1.00 0.00 C ATOM 111 CE1 PHE A 9 -5.108 5.138 -4.355 1.00 0.00 C ATOM 112 CE2 PHE A 9 -6.418 5.777 -6.251 1.00 0.00 C ATOM 113 CZ PHE A 9 -5.290 5.935 -5.469 1.00 0.00 C ATOM 0 H PHE A 9 -10.725 2.293 -3.446 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.165 3.218 -2.312 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.739 2.008 -4.395 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -8.967 2.937 -5.231 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -5.911 3.567 -3.154 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -8.240 4.705 -6.532 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.227 5.258 -3.742 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -6.563 6.398 -7.123 1.00 0.00 H new ATOM 0 HZ PHE A 9 -4.552 6.680 -5.728 1.00 0.00 H new ATOM 123 N GLU A 10 -9.134 5.480 -2.153 1.00 0.00 N ATOM 124 CA GLU A 10 -9.598 6.860 -2.070 1.00 0.00 C ATOM 125 C GLU A 10 -11.117 6.937 -1.961 1.00 0.00 C ATOM 126 O GLU A 10 -11.758 7.746 -2.632 1.00 0.00 O ATOM 127 CB GLU A 10 -9.123 7.651 -3.292 1.00 0.00 C ATOM 128 CG GLU A 10 -7.611 7.764 -3.393 1.00 0.00 C ATOM 129 CD GLU A 10 -7.167 9.043 -4.075 1.00 0.00 C ATOM 130 OE1 GLU A 10 -7.957 10.010 -4.097 1.00 0.00 O ATOM 131 OE2 GLU A 10 -6.028 9.077 -4.588 1.00 0.00 O ATOM 0 H GLU A 10 -8.525 5.194 -1.386 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.174 7.297 -1.166 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.504 7.173 -4.194 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.552 8.652 -3.256 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.179 7.721 -2.393 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.222 6.908 -3.945 1.00 0.00 H new ATOM 138 N LYS A 11 -11.685 6.098 -1.100 1.00 0.00 N ATOM 139 CA LYS A 11 -13.129 6.072 -0.879 1.00 0.00 C ATOM 140 C LYS A 11 -13.875 5.334 -1.991 1.00 0.00 C ATOM 141 O LYS A 11 -15.089 5.147 -1.900 1.00 0.00 O ATOM 142 CB LYS A 11 -13.682 7.495 -0.741 1.00 0.00 C ATOM 143 CG LYS A 11 -12.801 8.414 0.088 1.00 0.00 C ATOM 144 CD LYS A 11 -13.589 9.589 0.644 1.00 0.00 C ATOM 145 CE LYS A 11 -14.114 9.297 2.041 1.00 0.00 C ATOM 146 NZ LYS A 11 -13.209 9.830 3.097 1.00 0.00 N ATOM 0 H LYS A 11 -11.164 5.423 -0.540 1.00 0.00 H new ATOM 0 HA LYS A 11 -13.294 5.526 0.050 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -13.807 7.925 -1.735 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -14.672 7.448 -0.287 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -12.357 7.851 0.909 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.979 8.783 -0.526 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -12.954 10.474 0.671 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -14.424 9.815 -0.020 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -15.105 9.737 2.156 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -14.227 8.220 2.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -13.602 9.610 4.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.271 9.391 3.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -13.121 10.861 2.991 1.00 0.00 H new ATOM 160 N VAL A 12 -13.166 4.902 -3.034 1.00 0.00 N ATOM 161 CA VAL A 12 -13.812 4.180 -4.120 1.00 0.00 C ATOM 162 C VAL A 12 -13.593 2.691 -3.966 1.00 0.00 C ATOM 163 O VAL A 12 -12.587 2.250 -3.410 1.00 0.00 O ATOM 164 CB VAL A 12 -13.318 4.637 -5.508 1.00 0.00 C ATOM 165 CG1 VAL A 12 -13.711 3.637 -6.593 1.00 0.00 C ATOM 166 CG2 VAL A 12 -13.892 6.000 -5.825 1.00 0.00 C ATOM 0 H VAL A 12 -12.161 5.038 -3.146 1.00 0.00 H new ATOM 0 HA VAL A 12 -14.877 4.405 -4.059 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.230 4.694 -5.485 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -13.349 3.987 -7.559 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -13.269 2.666 -6.370 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -14.796 3.543 -6.625 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -13.543 6.323 -6.806 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -14.981 5.945 -5.828 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -13.567 6.716 -5.070 1.00 0.00 H new ATOM 176 N SER A 13 -14.543 1.923 -4.459 1.00 0.00 N ATOM 177 CA SER A 13 -14.457 0.476 -4.369 1.00 0.00 C ATOM 178 C SER A 13 -14.109 -0.138 -5.718 1.00 0.00 C ATOM 179 O SER A 13 -14.876 -0.041 -6.675 1.00 0.00 O ATOM 180 CB SER A 13 -15.770 -0.110 -3.851 1.00 0.00 C ATOM 181 OG SER A 13 -16.825 0.109 -4.770 1.00 0.00 O ATOM 0 H SER A 13 -15.381 2.272 -4.924 1.00 0.00 H new ATOM 0 HA SER A 13 -13.660 0.234 -3.666 1.00 0.00 H new ATOM 0 HB2 SER A 13 -15.651 -1.180 -3.678 1.00 0.00 H new ATOM 0 HB3 SER A 13 -16.020 0.342 -2.891 1.00 0.00 H new ATOM 0 HG SER A 13 -16.469 0.107 -5.683 1.00 0.00 H new ATOM 187 N GLY A 14 -12.946 -0.772 -5.783 1.00 0.00 N ATOM 188 CA GLY A 14 -12.511 -1.399 -7.014 1.00 0.00 C ATOM 189 C GLY A 14 -11.871 -2.750 -6.771 1.00 0.00 C ATOM 190 O GLY A 14 -12.100 -3.376 -5.737 1.00 0.00 O ATOM 0 H GLY A 14 -12.295 -0.863 -5.003 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -13.365 -1.518 -7.681 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -11.799 -0.747 -7.520 1.00 0.00 H new ATOM 194 N ILE A 15 -11.065 -3.199 -7.725 1.00 0.00 N ATOM 195 CA ILE A 15 -10.391 -4.479 -7.608 1.00 0.00 C ATOM 196 C ILE A 15 -8.882 -4.314 -7.646 1.00 0.00 C ATOM 197 O ILE A 15 -8.343 -3.660 -8.537 1.00 0.00 O ATOM 198 CB ILE A 15 -10.791 -5.447 -8.739 1.00 0.00 C ATOM 199 CG1 ILE A 15 -12.310 -5.447 -8.940 1.00 0.00 C ATOM 200 CG2 ILE A 15 -10.280 -6.852 -8.437 1.00 0.00 C ATOM 201 CD1 ILE A 15 -13.099 -5.720 -7.678 1.00 0.00 C ATOM 0 H ILE A 15 -10.864 -2.693 -8.588 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.700 -4.894 -6.648 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.331 -5.107 -9.667 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -12.613 -4.481 -9.343 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -12.567 -6.198 -9.686 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -10.569 -7.526 -9.244 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.193 -6.834 -8.352 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -10.711 -7.202 -7.499 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -14.165 -5.703 -7.905 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -12.827 -6.699 -7.284 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -12.874 -4.955 -6.935 1.00 0.00 H new ATOM 213 N ILE A 16 -8.203 -4.948 -6.702 1.00 0.00 N ATOM 214 CA ILE A 16 -6.754 -4.902 -6.661 1.00 0.00 C ATOM 215 C ILE A 16 -6.224 -6.200 -7.236 1.00 0.00 C ATOM 216 O ILE A 16 -6.434 -7.270 -6.670 1.00 0.00 O ATOM 217 CB ILE A 16 -6.202 -4.711 -5.221 1.00 0.00 C ATOM 218 CG1 ILE A 16 -5.715 -3.277 -5.022 1.00 0.00 C ATOM 219 CG2 ILE A 16 -5.068 -5.689 -4.930 1.00 0.00 C ATOM 220 CD1 ILE A 16 -5.180 -3.014 -3.632 1.00 0.00 C ATOM 0 H ILE A 16 -8.632 -5.498 -5.958 1.00 0.00 H new ATOM 0 HA ILE A 16 -6.424 -4.042 -7.244 1.00 0.00 H new ATOM 0 HB ILE A 16 -7.016 -4.912 -4.524 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.934 -3.062 -5.751 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -6.537 -2.590 -5.223 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.703 -5.531 -3.915 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -5.434 -6.711 -5.029 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -4.255 -5.525 -5.638 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.851 -1.977 -3.559 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -5.965 -3.198 -2.899 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.337 -3.677 -3.435 1.00 0.00 H new ATOM 232 N ALA A 17 -5.556 -6.112 -8.366 1.00 0.00 N ATOM 233 CA ALA A 17 -5.026 -7.301 -8.998 1.00 0.00 C ATOM 234 C ALA A 17 -3.526 -7.183 -9.198 1.00 0.00 C ATOM 235 O ALA A 17 -3.038 -6.312 -9.919 1.00 0.00 O ATOM 236 CB ALA A 17 -5.760 -7.578 -10.293 1.00 0.00 C ATOM 0 H ALA A 17 -5.368 -5.240 -8.861 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.190 -8.156 -8.342 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.351 -8.475 -10.758 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.820 -7.727 -10.086 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.638 -6.731 -10.969 1.00 0.00 H new ATOM 242 N ILE A 18 -2.805 -8.061 -8.517 1.00 0.00 N ATOM 243 CA ILE A 18 -1.351 -8.076 -8.561 1.00 0.00 C ATOM 244 C ILE A 18 -0.827 -8.875 -9.747 1.00 0.00 C ATOM 245 O ILE A 18 -1.385 -9.908 -10.115 1.00 0.00 O ATOM 246 CB ILE A 18 -0.776 -8.669 -7.256 1.00 0.00 C ATOM 247 CG1 ILE A 18 -1.269 -7.866 -6.051 1.00 0.00 C ATOM 248 CG2 ILE A 18 0.747 -8.697 -7.298 1.00 0.00 C ATOM 249 CD1 ILE A 18 -1.410 -8.692 -4.793 1.00 0.00 C ATOM 0 H ILE A 18 -3.210 -8.782 -7.920 1.00 0.00 H new ATOM 0 HA ILE A 18 -1.025 -7.042 -8.672 1.00 0.00 H new ATOM 0 HB ILE A 18 -1.128 -9.696 -7.158 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -0.576 -7.046 -5.862 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.233 -7.419 -6.292 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.129 -9.119 -6.368 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.077 -9.310 -8.137 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.126 -7.682 -7.419 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.763 -8.058 -3.979 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -2.126 -9.496 -4.964 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.443 -9.118 -4.527 1.00 0.00 H new ATOM 261 N ASN A 19 0.261 -8.386 -10.330 1.00 0.00 N ATOM 262 CA ASN A 19 0.885 -9.045 -11.466 1.00 0.00 C ATOM 263 C ASN A 19 2.302 -9.481 -11.111 1.00 0.00 C ATOM 264 O ASN A 19 3.236 -8.685 -11.162 1.00 0.00 O ATOM 265 CB ASN A 19 0.909 -8.111 -12.678 1.00 0.00 C ATOM 266 CG ASN A 19 -0.205 -8.412 -13.661 1.00 0.00 C ATOM 267 OD1 ASN A 19 -1.331 -7.939 -13.505 1.00 0.00 O ATOM 268 ND2 ASN A 19 0.103 -9.203 -14.682 1.00 0.00 N ATOM 0 H ASN A 19 0.730 -7.531 -10.031 1.00 0.00 H new ATOM 0 HA ASN A 19 0.299 -9.929 -11.718 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.822 -7.079 -12.340 1.00 0.00 H new ATOM 0 HB3 ASN A 19 1.870 -8.201 -13.184 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.606 -9.440 -15.375 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.049 -9.573 -14.773 1.00 0.00 H new ATOM 275 N GLU A 20 2.450 -10.745 -10.741 1.00 0.00 N ATOM 276 CA GLU A 20 3.751 -11.290 -10.370 1.00 0.00 C ATOM 277 C GLU A 20 4.539 -11.735 -11.603 1.00 0.00 C ATOM 278 O GLU A 20 5.676 -12.192 -11.489 1.00 0.00 O ATOM 279 CB GLU A 20 3.574 -12.470 -9.412 1.00 0.00 C ATOM 280 CG GLU A 20 4.496 -12.417 -8.206 1.00 0.00 C ATOM 281 CD GLU A 20 5.244 -13.718 -7.985 1.00 0.00 C ATOM 282 OE1 GLU A 20 4.738 -14.774 -8.417 1.00 0.00 O ATOM 283 OE2 GLU A 20 6.336 -13.680 -7.379 1.00 0.00 O ATOM 0 H GLU A 20 1.683 -11.416 -10.689 1.00 0.00 H new ATOM 0 HA GLU A 20 4.315 -10.501 -9.872 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.540 -12.496 -9.068 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.753 -13.398 -9.955 1.00 0.00 H new ATOM 0 HG2 GLU A 20 5.214 -11.607 -8.338 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.911 -12.183 -7.316 1.00 0.00 H new ATOM 290 N ASP A 21 3.930 -11.600 -12.779 1.00 0.00 N ATOM 291 CA ASP A 21 4.579 -11.991 -14.025 1.00 0.00 C ATOM 292 C ASP A 21 5.506 -10.892 -14.542 1.00 0.00 C ATOM 293 O ASP A 21 6.120 -11.037 -15.600 1.00 0.00 O ATOM 294 CB ASP A 21 3.526 -12.313 -15.084 1.00 0.00 C ATOM 295 CG ASP A 21 2.757 -13.581 -14.768 1.00 0.00 C ATOM 296 OD1 ASP A 21 3.241 -14.674 -15.129 1.00 0.00 O ATOM 297 OD2 ASP A 21 1.671 -13.481 -14.160 1.00 0.00 O ATOM 0 H ASP A 21 2.989 -11.223 -12.894 1.00 0.00 H new ATOM 0 HA ASP A 21 5.181 -12.877 -13.823 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.829 -11.479 -15.164 1.00 0.00 H new ATOM 0 HB3 ASP A 21 4.011 -12.418 -16.055 1.00 0.00 H new ATOM 302 N VAL A 22 5.606 -9.794 -13.797 1.00 0.00 N ATOM 303 CA VAL A 22 6.464 -8.682 -14.198 1.00 0.00 C ATOM 304 C VAL A 22 7.805 -8.739 -13.473 1.00 0.00 C ATOM 305 O VAL A 22 8.184 -9.775 -12.928 1.00 0.00 O ATOM 306 CB VAL A 22 5.809 -7.301 -13.952 1.00 0.00 C ATOM 307 CG1 VAL A 22 5.601 -6.560 -15.264 1.00 0.00 C ATOM 308 CG2 VAL A 22 4.505 -7.451 -13.217 1.00 0.00 C ATOM 0 H VAL A 22 5.108 -9.651 -12.919 1.00 0.00 H new ATOM 0 HA VAL A 22 6.619 -8.792 -15.271 1.00 0.00 H new ATOM 0 HB VAL A 22 6.485 -6.713 -13.331 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.140 -5.592 -15.066 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.563 -6.410 -15.754 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.951 -7.146 -15.914 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.063 -6.468 -13.055 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.823 -8.063 -13.807 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.683 -7.931 -12.255 1.00 0.00 H new ATOM 318 N SER A 23 8.514 -7.618 -13.470 1.00 0.00 N ATOM 319 CA SER A 23 9.809 -7.526 -12.813 1.00 0.00 C ATOM 320 C SER A 23 10.319 -6.087 -12.844 1.00 0.00 C ATOM 321 O SER A 23 10.844 -5.634 -13.860 1.00 0.00 O ATOM 322 CB SER A 23 10.817 -8.454 -13.493 1.00 0.00 C ATOM 323 OG SER A 23 10.766 -8.318 -14.903 1.00 0.00 O ATOM 0 H SER A 23 8.210 -6.754 -13.919 1.00 0.00 H new ATOM 0 HA SER A 23 9.692 -7.835 -11.774 1.00 0.00 H new ATOM 0 HB2 SER A 23 11.822 -8.226 -13.139 1.00 0.00 H new ATOM 0 HB3 SER A 23 10.608 -9.488 -13.217 1.00 0.00 H new ATOM 0 HG SER A 23 10.753 -7.367 -15.140 1.00 0.00 H new ATOM 329 N PRO A 24 10.166 -5.341 -11.734 1.00 0.00 N ATOM 330 CA PRO A 24 9.544 -5.839 -10.498 1.00 0.00 C ATOM 331 C PRO A 24 8.038 -6.041 -10.632 1.00 0.00 C ATOM 332 O PRO A 24 7.413 -5.533 -11.564 1.00 0.00 O ATOM 333 CB PRO A 24 9.840 -4.734 -9.484 1.00 0.00 C ATOM 334 CG PRO A 24 9.996 -3.500 -10.302 1.00 0.00 C ATOM 335 CD PRO A 24 10.602 -3.938 -11.605 1.00 0.00 C ATOM 0 HA PRO A 24 9.934 -6.818 -10.219 1.00 0.00 H new ATOM 0 HB2 PRO A 24 9.029 -4.631 -8.763 1.00 0.00 H new ATOM 0 HB3 PRO A 24 10.745 -4.950 -8.917 1.00 0.00 H new ATOM 0 HG2 PRO A 24 9.033 -3.015 -10.463 1.00 0.00 H new ATOM 0 HG3 PRO A 24 10.637 -2.777 -9.798 1.00 0.00 H new ATOM 0 HD2 PRO A 24 10.247 -3.330 -12.437 1.00 0.00 H new ATOM 0 HD3 PRO A 24 11.689 -3.855 -11.590 1.00 0.00 H new ATOM 343 N ALA A 25 7.459 -6.782 -9.689 1.00 0.00 N ATOM 344 CA ALA A 25 6.022 -7.048 -9.693 1.00 0.00 C ATOM 345 C ALA A 25 5.230 -5.754 -9.734 1.00 0.00 C ATOM 346 O ALA A 25 5.804 -4.669 -9.825 1.00 0.00 O ATOM 347 CB ALA A 25 5.622 -7.849 -8.466 1.00 0.00 C ATOM 0 H ALA A 25 7.963 -7.209 -8.912 1.00 0.00 H new ATOM 0 HA ALA A 25 5.796 -7.627 -10.588 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.548 -8.036 -8.488 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.156 -8.799 -8.462 1.00 0.00 H new ATOM 0 HB3 ALA A 25 5.874 -7.287 -7.567 1.00 0.00 H new ATOM 353 N GLU A 26 3.908 -5.866 -9.655 1.00 0.00 N ATOM 354 CA GLU A 26 3.066 -4.682 -9.675 1.00 0.00 C ATOM 355 C GLU A 26 1.652 -4.964 -9.181 1.00 0.00 C ATOM 356 O GLU A 26 1.099 -6.045 -9.388 1.00 0.00 O ATOM 357 CB GLU A 26 3.018 -4.090 -11.084 1.00 0.00 C ATOM 358 CG GLU A 26 2.316 -4.981 -12.096 1.00 0.00 C ATOM 359 CD GLU A 26 0.863 -4.598 -12.302 1.00 0.00 C ATOM 360 OE1 GLU A 26 0.311 -3.879 -11.442 1.00 0.00 O ATOM 361 OE2 GLU A 26 0.278 -5.016 -13.323 1.00 0.00 O ATOM 0 H GLU A 26 3.406 -6.750 -9.578 1.00 0.00 H new ATOM 0 HA GLU A 26 3.512 -3.962 -8.989 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.510 -3.126 -11.047 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.036 -3.900 -11.424 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.841 -4.925 -13.049 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.371 -6.017 -11.762 1.00 0.00 H new ATOM 368 N LEU A 27 1.078 -3.954 -8.541 1.00 0.00 N ATOM 369 CA LEU A 27 -0.276 -4.011 -8.013 1.00 0.00 C ATOM 370 C LEU A 27 -1.170 -3.126 -8.878 1.00 0.00 C ATOM 371 O LEU A 27 -0.695 -2.141 -9.443 1.00 0.00 O ATOM 372 CB LEU A 27 -0.268 -3.524 -6.567 1.00 0.00 C ATOM 373 CG LEU A 27 -1.632 -3.207 -5.965 1.00 0.00 C ATOM 374 CD1 LEU A 27 -1.636 -3.576 -4.503 1.00 0.00 C ATOM 375 CD2 LEU A 27 -1.954 -1.733 -6.128 1.00 0.00 C ATOM 0 H LEU A 27 1.545 -3.063 -8.373 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.658 -5.032 -8.033 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.212 -4.284 -5.950 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.351 -2.628 -6.509 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.393 -3.787 -6.488 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.612 -3.349 -4.073 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.431 -4.641 -4.396 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.868 -3.005 -3.981 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.931 -1.524 -5.693 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.196 -1.137 -5.621 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.967 -1.478 -7.188 1.00 0.00 H new ATOM 387 N THR A 28 -2.444 -3.472 -9.014 1.00 0.00 N ATOM 388 CA THR A 28 -3.335 -2.677 -9.853 1.00 0.00 C ATOM 389 C THR A 28 -4.757 -2.621 -9.312 1.00 0.00 C ATOM 390 O THR A 28 -5.535 -3.561 -9.480 1.00 0.00 O ATOM 391 CB THR A 28 -3.351 -3.238 -11.275 1.00 0.00 C ATOM 392 OG1 THR A 28 -2.172 -3.979 -11.536 1.00 0.00 O ATOM 393 CG2 THR A 28 -3.466 -2.169 -12.340 1.00 0.00 C ATOM 0 H THR A 28 -2.878 -4.279 -8.566 1.00 0.00 H new ATOM 0 HA THR A 28 -2.946 -1.659 -9.853 1.00 0.00 H new ATOM 0 HB THR A 28 -4.236 -3.873 -11.324 1.00 0.00 H new ATOM 0 HG1 THR A 28 -1.405 -3.370 -11.574 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.472 -2.636 -13.325 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.392 -1.611 -12.197 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.618 -1.489 -12.266 1.00 0.00 H new ATOM 401 N TRP A 29 -5.102 -1.497 -8.691 1.00 0.00 N ATOM 402 CA TRP A 29 -6.431 -1.299 -8.163 1.00 0.00 C ATOM 403 C TRP A 29 -7.303 -0.616 -9.208 1.00 0.00 C ATOM 404 O TRP A 29 -7.063 0.534 -9.564 1.00 0.00 O ATOM 405 CB TRP A 29 -6.389 -0.436 -6.907 1.00 0.00 C ATOM 406 CG TRP A 29 -7.754 -0.107 -6.404 1.00 0.00 C ATOM 407 CD1 TRP A 29 -8.470 -0.824 -5.506 1.00 0.00 C ATOM 408 CD2 TRP A 29 -8.577 0.997 -6.794 1.00 0.00 C ATOM 409 NE1 TRP A 29 -9.695 -0.237 -5.298 1.00 0.00 N ATOM 410 CE2 TRP A 29 -9.784 0.885 -6.078 1.00 0.00 C ATOM 411 CE3 TRP A 29 -8.411 2.070 -7.673 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -10.818 1.805 -6.217 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -9.438 2.983 -7.809 1.00 0.00 C ATOM 414 CH2 TRP A 29 -10.627 2.846 -7.085 1.00 0.00 C ATOM 0 H TRP A 29 -4.469 -0.710 -8.545 1.00 0.00 H new ATOM 0 HA TRP A 29 -6.848 -2.274 -7.910 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -5.833 -0.958 -6.128 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -5.850 0.487 -7.120 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -8.128 -1.727 -5.023 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -10.419 -0.580 -4.667 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -7.496 2.183 -8.236 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -11.738 1.702 -5.660 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -9.321 3.817 -8.486 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -11.411 3.577 -7.214 1.00 0.00 H new ATOM 425 N ARG A 30 -8.311 -1.322 -9.693 1.00 0.00 N ATOM 426 CA ARG A 30 -9.212 -0.763 -10.696 1.00 0.00 C ATOM 427 C ARG A 30 -10.620 -0.621 -10.130 1.00 0.00 C ATOM 428 O ARG A 30 -11.128 -1.530 -9.484 1.00 0.00 O ATOM 429 CB ARG A 30 -9.235 -1.645 -11.944 1.00 0.00 C ATOM 430 CG ARG A 30 -9.466 -3.115 -11.643 1.00 0.00 C ATOM 431 CD ARG A 30 -9.350 -3.967 -12.896 1.00 0.00 C ATOM 432 NE ARG A 30 -7.963 -4.318 -13.193 1.00 0.00 N ATOM 433 CZ ARG A 30 -7.581 -4.968 -14.290 1.00 0.00 C ATOM 434 NH1 ARG A 30 -8.477 -5.338 -15.196 1.00 0.00 N ATOM 435 NH2 ARG A 30 -6.299 -5.247 -14.482 1.00 0.00 N ATOM 0 H ARG A 30 -8.528 -2.278 -9.413 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.845 0.226 -10.972 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -10.019 -1.292 -12.614 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.289 -1.535 -12.474 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -8.741 -3.454 -10.903 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -10.455 -3.246 -11.203 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -9.936 -4.878 -12.771 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -9.777 -3.428 -13.742 1.00 0.00 H new ATOM 0 HE ARG A 30 -7.245 -4.049 -12.520 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -9.464 -5.125 -15.054 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -8.179 -5.836 -16.035 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -5.606 -4.964 -13.789 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -6.006 -5.745 -15.322 1.00 0.00 H new ATOM 449 N SER A 31 -11.251 0.521 -10.377 1.00 0.00 N ATOM 450 CA SER A 31 -12.604 0.760 -9.880 1.00 0.00 C ATOM 451 C SER A 31 -13.515 -0.414 -10.225 1.00 0.00 C ATOM 452 O SER A 31 -13.233 -1.179 -11.148 1.00 0.00 O ATOM 453 CB SER A 31 -13.168 2.049 -10.477 1.00 0.00 C ATOM 454 OG SER A 31 -12.614 3.190 -9.842 1.00 0.00 O ATOM 0 H SER A 31 -10.853 1.291 -10.914 1.00 0.00 H new ATOM 0 HA SER A 31 -12.559 0.862 -8.796 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.954 2.083 -11.545 1.00 0.00 H new ATOM 0 HB3 SER A 31 -14.253 2.059 -10.369 1.00 0.00 H new ATOM 0 HG SER A 31 -12.076 2.908 -9.073 1.00 0.00 H new ATOM 460 N THR A 32 -14.608 -0.554 -9.484 1.00 0.00 N ATOM 461 CA THR A 32 -15.550 -1.634 -9.723 1.00 0.00 C ATOM 462 C THR A 32 -16.326 -1.363 -10.997 1.00 0.00 C ATOM 463 O THR A 32 -16.650 -2.275 -11.757 1.00 0.00 O ATOM 464 CB THR A 32 -16.505 -1.778 -8.535 1.00 0.00 C ATOM 465 OG1 THR A 32 -15.812 -2.232 -7.386 1.00 0.00 O ATOM 466 CG2 THR A 32 -17.641 -2.742 -8.793 1.00 0.00 C ATOM 0 H THR A 32 -14.861 0.067 -8.715 1.00 0.00 H new ATOM 0 HA THR A 32 -15.000 -2.568 -9.836 1.00 0.00 H new ATOM 0 HB THR A 32 -16.922 -0.783 -8.379 1.00 0.00 H new ATOM 0 HG1 THR A 32 -15.789 -1.518 -6.715 1.00 0.00 H new ATOM 0 HG21 THR A 32 -18.279 -2.797 -7.911 1.00 0.00 H new ATOM 0 HG22 THR A 32 -18.227 -2.395 -9.644 1.00 0.00 H new ATOM 0 HG23 THR A 32 -17.237 -3.731 -9.010 1.00 0.00 H new ATOM 474 N ASP A 33 -16.612 -0.093 -11.219 1.00 0.00 N ATOM 475 CA ASP A 33 -17.342 0.334 -12.400 1.00 0.00 C ATOM 476 C ASP A 33 -16.396 0.557 -13.578 1.00 0.00 C ATOM 477 O ASP A 33 -16.825 0.592 -14.731 1.00 0.00 O ATOM 478 CB ASP A 33 -18.127 1.614 -12.107 1.00 0.00 C ATOM 479 CG ASP A 33 -19.519 1.330 -11.578 1.00 0.00 C ATOM 480 OD1 ASP A 33 -20.453 1.210 -12.398 1.00 0.00 O ATOM 481 OD2 ASP A 33 -19.674 1.228 -10.343 1.00 0.00 O ATOM 0 H ASP A 33 -16.348 0.667 -10.592 1.00 0.00 H new ATOM 0 HA ASP A 33 -18.042 -0.458 -12.668 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -17.580 2.214 -11.379 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -18.202 2.208 -13.018 1.00 0.00 H new ATOM 486 N GLY A 34 -15.108 0.707 -13.281 1.00 0.00 N ATOM 487 CA GLY A 34 -14.125 0.926 -14.327 1.00 0.00 C ATOM 488 C GLY A 34 -13.925 2.396 -14.634 1.00 0.00 C ATOM 489 O GLY A 34 -13.653 2.768 -15.777 1.00 0.00 O ATOM 0 H GLY A 34 -14.728 0.681 -12.335 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -13.174 0.488 -14.025 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -14.441 0.408 -15.233 1.00 0.00 H new ATOM 493 N ASP A 35 -14.064 3.236 -13.614 1.00 0.00 N ATOM 494 CA ASP A 35 -13.903 4.676 -13.780 1.00 0.00 C ATOM 495 C ASP A 35 -12.439 5.094 -13.657 1.00 0.00 C ATOM 496 O ASP A 35 -12.048 6.156 -14.141 1.00 0.00 O ATOM 497 CB ASP A 35 -14.745 5.426 -12.747 1.00 0.00 C ATOM 498 CG ASP A 35 -15.210 6.778 -13.251 1.00 0.00 C ATOM 499 OD1 ASP A 35 -14.464 7.409 -14.030 1.00 0.00 O ATOM 500 OD2 ASP A 35 -16.318 7.207 -12.867 1.00 0.00 O ATOM 0 H ASP A 35 -14.288 2.944 -12.663 1.00 0.00 H new ATOM 0 HA ASP A 35 -14.246 4.933 -14.782 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -15.613 4.822 -12.482 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -14.162 5.562 -11.836 1.00 0.00 H new ATOM 505 N LYS A 36 -11.634 4.260 -13.009 1.00 0.00 N ATOM 506 CA LYS A 36 -10.217 4.556 -12.829 1.00 0.00 C ATOM 507 C LYS A 36 -9.493 3.409 -12.142 1.00 0.00 C ATOM 508 O LYS A 36 -10.105 2.566 -11.488 1.00 0.00 O ATOM 509 CB LYS A 36 -10.039 5.845 -12.022 1.00 0.00 C ATOM 510 CG LYS A 36 -10.468 5.721 -10.566 1.00 0.00 C ATOM 511 CD LYS A 36 -11.745 6.500 -10.286 1.00 0.00 C ATOM 512 CE LYS A 36 -11.478 7.994 -10.201 1.00 0.00 C ATOM 513 NZ LYS A 36 -11.787 8.688 -11.481 1.00 0.00 N ATOM 0 H LYS A 36 -11.937 3.376 -12.600 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.779 4.689 -13.818 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.991 6.144 -12.058 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.614 6.641 -12.494 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.622 4.670 -10.320 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.670 6.086 -9.919 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -12.473 6.303 -11.073 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -12.186 6.154 -9.351 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -12.079 8.425 -9.400 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.433 8.162 -9.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -12.350 9.541 -11.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.900 8.959 -11.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -12.327 8.050 -12.100 1.00 0.00 H new ATOM 527 N VAL A 37 -8.181 3.380 -12.325 1.00 0.00 N ATOM 528 CA VAL A 37 -7.346 2.338 -11.762 1.00 0.00 C ATOM 529 C VAL A 37 -5.976 2.890 -11.365 1.00 0.00 C ATOM 530 O VAL A 37 -5.396 3.708 -12.079 1.00 0.00 O ATOM 531 CB VAL A 37 -7.176 1.198 -12.783 1.00 0.00 C ATOM 532 CG1 VAL A 37 -7.031 1.768 -14.189 1.00 0.00 C ATOM 533 CG2 VAL A 37 -5.994 0.296 -12.428 1.00 0.00 C ATOM 0 H VAL A 37 -7.670 4.077 -12.867 1.00 0.00 H new ATOM 0 HA VAL A 37 -7.833 1.954 -10.866 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.072 0.578 -12.751 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.911 0.952 -14.902 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -7.922 2.343 -14.442 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.156 2.417 -14.230 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.905 -0.497 -13.171 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.077 0.886 -12.415 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -6.155 -0.145 -11.444 1.00 0.00 H new ATOM 543 N HIS A 38 -5.465 2.430 -10.230 1.00 0.00 N ATOM 544 CA HIS A 38 -4.161 2.869 -9.744 1.00 0.00 C ATOM 545 C HIS A 38 -3.181 1.702 -9.710 1.00 0.00 C ATOM 546 O HIS A 38 -3.456 0.665 -9.106 1.00 0.00 O ATOM 547 CB HIS A 38 -4.292 3.487 -8.350 1.00 0.00 C ATOM 548 CG HIS A 38 -4.241 4.983 -8.352 1.00 0.00 C ATOM 549 ND1 HIS A 38 -5.166 5.766 -9.012 1.00 0.00 N ATOM 550 CD2 HIS A 38 -3.370 5.841 -7.771 1.00 0.00 C ATOM 551 CE1 HIS A 38 -4.863 7.041 -8.837 1.00 0.00 C ATOM 552 NE2 HIS A 38 -3.780 7.114 -8.088 1.00 0.00 N ATOM 0 H HIS A 38 -5.933 1.753 -9.628 1.00 0.00 H new ATOM 0 HA HIS A 38 -3.777 3.625 -10.429 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -5.233 3.164 -7.905 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -3.492 3.105 -7.715 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -2.513 5.575 -7.170 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -5.410 7.881 -9.239 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -3.321 7.975 -7.792 1.00 0.00 H new ATOM 561 N THR A 39 -2.038 1.875 -10.366 1.00 0.00 N ATOM 562 CA THR A 39 -1.022 0.830 -10.414 1.00 0.00 C ATOM 563 C THR A 39 0.068 1.077 -9.375 1.00 0.00 C ATOM 564 O THR A 39 0.408 2.221 -9.073 1.00 0.00 O ATOM 565 CB THR A 39 -0.404 0.751 -11.811 1.00 0.00 C ATOM 566 OG1 THR A 39 -1.257 1.349 -12.771 1.00 0.00 O ATOM 567 CG2 THR A 39 -0.128 -0.666 -12.263 1.00 0.00 C ATOM 0 H THR A 39 -1.793 2.727 -10.871 1.00 0.00 H new ATOM 0 HA THR A 39 -1.506 -0.119 -10.185 1.00 0.00 H new ATOM 0 HB THR A 39 0.544 1.284 -11.738 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.844 1.290 -13.658 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.310 -0.651 -13.261 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.566 -1.140 -11.570 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.061 -1.229 -12.284 1.00 0.00 H new ATOM 575 N VAL A 40 0.608 -0.008 -8.829 1.00 0.00 N ATOM 576 CA VAL A 40 1.655 0.078 -7.819 1.00 0.00 C ATOM 577 C VAL A 40 2.836 -0.817 -8.174 1.00 0.00 C ATOM 578 O VAL A 40 2.658 -1.971 -8.556 1.00 0.00 O ATOM 579 CB VAL A 40 1.108 -0.332 -6.426 1.00 0.00 C ATOM 580 CG1 VAL A 40 1.962 -1.400 -5.753 1.00 0.00 C ATOM 581 CG2 VAL A 40 0.987 0.862 -5.507 1.00 0.00 C ATOM 0 H VAL A 40 0.336 -0.961 -9.071 1.00 0.00 H new ATOM 0 HA VAL A 40 1.992 1.114 -7.787 1.00 0.00 H new ATOM 0 HB VAL A 40 0.118 -0.752 -6.606 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.534 -1.650 -4.782 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.988 -2.292 -6.378 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.976 -1.023 -5.617 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.601 0.539 -4.540 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.968 1.318 -5.372 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.305 1.591 -5.945 1.00 0.00 H new ATOM 591 N VAL A 41 4.040 -0.298 -8.000 1.00 0.00 N ATOM 592 CA VAL A 41 5.237 -1.079 -8.253 1.00 0.00 C ATOM 593 C VAL A 41 5.830 -1.502 -6.919 1.00 0.00 C ATOM 594 O VAL A 41 6.557 -0.737 -6.286 1.00 0.00 O ATOM 595 CB VAL A 41 6.289 -0.296 -9.063 1.00 0.00 C ATOM 596 CG1 VAL A 41 7.496 -1.176 -9.367 1.00 0.00 C ATOM 597 CG2 VAL A 41 5.678 0.241 -10.348 1.00 0.00 C ATOM 0 H VAL A 41 4.213 0.657 -7.686 1.00 0.00 H new ATOM 0 HA VAL A 41 4.956 -1.948 -8.849 1.00 0.00 H new ATOM 0 HB VAL A 41 6.627 0.550 -8.464 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.227 -0.605 -9.939 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.947 -1.510 -8.433 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.178 -2.043 -9.947 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.434 0.791 -10.908 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.312 -0.590 -10.952 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.849 0.907 -10.106 1.00 0.00 H new ATOM 607 N LEU A 42 5.498 -2.718 -6.482 1.00 0.00 N ATOM 608 CA LEU A 42 5.976 -3.240 -5.205 1.00 0.00 C ATOM 609 C LEU A 42 7.452 -2.905 -4.975 1.00 0.00 C ATOM 610 O LEU A 42 7.904 -2.812 -3.834 1.00 0.00 O ATOM 611 CB LEU A 42 5.760 -4.751 -5.142 1.00 0.00 C ATOM 612 CG LEU A 42 4.310 -5.218 -4.939 1.00 0.00 C ATOM 613 CD1 LEU A 42 3.924 -5.175 -3.474 1.00 0.00 C ATOM 614 CD2 LEU A 42 3.331 -4.386 -5.741 1.00 0.00 C ATOM 0 H LEU A 42 4.897 -3.361 -6.998 1.00 0.00 H new ATOM 0 HA LEU A 42 5.401 -2.761 -4.412 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.136 -5.190 -6.066 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.366 -5.151 -4.329 1.00 0.00 H new ATOM 0 HG LEU A 42 4.260 -6.247 -5.295 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.893 -5.510 -3.359 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.584 -5.829 -2.904 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.017 -4.154 -3.103 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.318 -4.750 -5.569 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.400 -3.343 -5.431 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.569 -4.465 -6.802 1.00 0.00 H new ATOM 626 N SER A 43 8.188 -2.696 -6.063 1.00 0.00 N ATOM 627 CA SER A 43 9.597 -2.341 -5.974 1.00 0.00 C ATOM 628 C SER A 43 9.719 -0.904 -5.497 1.00 0.00 C ATOM 629 O SER A 43 10.421 -0.617 -4.528 1.00 0.00 O ATOM 630 CB SER A 43 10.279 -2.506 -7.331 1.00 0.00 C ATOM 631 OG SER A 43 11.209 -3.575 -7.306 1.00 0.00 O ATOM 0 H SER A 43 7.830 -2.767 -7.016 1.00 0.00 H new ATOM 0 HA SER A 43 10.090 -3.005 -5.264 1.00 0.00 H new ATOM 0 HB2 SER A 43 9.528 -2.691 -8.099 1.00 0.00 H new ATOM 0 HB3 SER A 43 10.790 -1.581 -7.600 1.00 0.00 H new ATOM 0 HG SER A 43 11.936 -3.391 -7.937 1.00 0.00 H new ATOM 637 N THR A 44 9.001 -0.007 -6.167 1.00 0.00 N ATOM 638 CA THR A 44 8.999 1.386 -5.793 1.00 0.00 C ATOM 639 C THR A 44 8.374 1.530 -4.414 1.00 0.00 C ATOM 640 O THR A 44 8.715 2.438 -3.656 1.00 0.00 O ATOM 641 CB THR A 44 8.218 2.196 -6.821 1.00 0.00 C ATOM 642 OG1 THR A 44 6.834 1.903 -6.746 1.00 0.00 O ATOM 643 CG2 THR A 44 8.667 1.952 -8.245 1.00 0.00 C ATOM 0 H THR A 44 8.415 -0.230 -6.972 1.00 0.00 H new ATOM 0 HA THR A 44 10.021 1.763 -5.763 1.00 0.00 H new ATOM 0 HB THR A 44 8.413 3.239 -6.573 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.712 0.966 -6.486 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.069 2.560 -8.924 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.718 2.222 -8.346 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.537 0.898 -8.492 1.00 0.00 H new ATOM 651 N ILE A 45 7.470 0.603 -4.083 1.00 0.00 N ATOM 652 CA ILE A 45 6.820 0.611 -2.783 1.00 0.00 C ATOM 653 C ILE A 45 7.867 0.570 -1.668 1.00 0.00 C ATOM 654 O ILE A 45 8.454 -0.476 -1.394 1.00 0.00 O ATOM 655 CB ILE A 45 5.870 -0.593 -2.629 1.00 0.00 C ATOM 656 CG1 ILE A 45 4.748 -0.519 -3.666 1.00 0.00 C ATOM 657 CG2 ILE A 45 5.301 -0.650 -1.220 1.00 0.00 C ATOM 658 CD1 ILE A 45 3.837 0.676 -3.495 1.00 0.00 C ATOM 0 H ILE A 45 7.177 -0.156 -4.698 1.00 0.00 H new ATOM 0 HA ILE A 45 6.238 1.530 -2.709 1.00 0.00 H new ATOM 0 HB ILE A 45 6.437 -1.508 -2.801 1.00 0.00 H new ATOM 0 HG12 ILE A 45 5.188 -0.489 -4.663 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.152 -1.430 -3.608 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.633 -1.507 -1.132 1.00 0.00 H new ATOM 0 HG22 ILE A 45 6.115 -0.750 -0.502 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.746 0.265 -1.014 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.067 0.660 -4.266 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.367 0.638 -2.512 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.419 1.593 -3.583 1.00 0.00 H new ATOM 670 N ASP A 46 8.102 1.717 -1.044 1.00 0.00 N ATOM 671 CA ASP A 46 9.087 1.825 0.026 1.00 0.00 C ATOM 672 C ASP A 46 8.834 0.813 1.143 1.00 0.00 C ATOM 673 O ASP A 46 9.775 0.347 1.785 1.00 0.00 O ATOM 674 CB ASP A 46 9.085 3.241 0.604 1.00 0.00 C ATOM 675 CG ASP A 46 10.161 3.440 1.654 1.00 0.00 C ATOM 676 OD1 ASP A 46 9.890 3.164 2.841 1.00 0.00 O ATOM 677 OD2 ASP A 46 11.275 3.873 1.288 1.00 0.00 O ATOM 0 H ASP A 46 7.622 2.590 -1.261 1.00 0.00 H new ATOM 0 HA ASP A 46 10.062 1.605 -0.408 1.00 0.00 H new ATOM 0 HB2 ASP A 46 9.231 3.960 -0.202 1.00 0.00 H new ATOM 0 HB3 ASP A 46 8.110 3.449 1.044 1.00 0.00 H new ATOM 682 N LYS A 47 7.568 0.479 1.380 1.00 0.00 N ATOM 683 CA LYS A 47 7.224 -0.468 2.431 1.00 0.00 C ATOM 684 C LYS A 47 5.870 -1.117 2.201 1.00 0.00 C ATOM 685 O LYS A 47 5.047 -0.631 1.428 1.00 0.00 O ATOM 686 CB LYS A 47 7.223 0.229 3.788 1.00 0.00 C ATOM 687 CG LYS A 47 8.613 0.472 4.323 1.00 0.00 C ATOM 688 CD LYS A 47 8.582 1.009 5.745 1.00 0.00 C ATOM 689 CE LYS A 47 8.128 2.459 5.782 1.00 0.00 C ATOM 690 NZ LYS A 47 8.034 2.976 7.175 1.00 0.00 N ATOM 0 H LYS A 47 6.771 0.848 0.862 1.00 0.00 H new ATOM 0 HA LYS A 47 7.980 -1.253 2.412 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.701 1.182 3.701 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.665 -0.377 4.502 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.181 -0.458 4.298 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.133 1.180 3.678 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.910 0.401 6.350 1.00 0.00 H new ATOM 0 HD3 LYS A 47 9.574 0.926 6.188 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.827 3.073 5.213 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.157 2.548 5.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.721 3.968 7.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.348 2.407 7.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.966 2.915 7.631 1.00 0.00 H new ATOM 704 N LEU A 48 5.657 -2.218 2.902 1.00 0.00 N ATOM 705 CA LEU A 48 4.411 -2.966 2.815 1.00 0.00 C ATOM 706 C LEU A 48 3.636 -2.852 4.129 1.00 0.00 C ATOM 707 O LEU A 48 4.150 -3.214 5.187 1.00 0.00 O ATOM 708 CB LEU A 48 4.717 -4.434 2.521 1.00 0.00 C ATOM 709 CG LEU A 48 3.650 -5.182 1.724 1.00 0.00 C ATOM 710 CD1 LEU A 48 3.261 -4.400 0.478 1.00 0.00 C ATOM 711 CD2 LEU A 48 4.152 -6.571 1.354 1.00 0.00 C ATOM 0 H LEU A 48 6.339 -2.619 3.546 1.00 0.00 H new ATOM 0 HA LEU A 48 3.802 -2.553 2.010 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.658 -4.488 1.974 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.868 -4.952 3.468 1.00 0.00 H new ATOM 0 HG LEU A 48 2.761 -5.287 2.346 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.500 -4.951 -0.075 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.865 -3.427 0.768 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.139 -4.261 -0.153 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.384 -7.096 0.786 1.00 0.00 H new ATOM 0 HD22 LEU A 48 5.054 -6.483 0.749 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.378 -7.130 2.262 1.00 0.00 H new ATOM 723 N GLN A 49 2.410 -2.343 4.065 1.00 0.00 N ATOM 724 CA GLN A 49 1.590 -2.181 5.261 1.00 0.00 C ATOM 725 C GLN A 49 0.243 -2.878 5.104 1.00 0.00 C ATOM 726 O GLN A 49 -0.391 -2.782 4.061 1.00 0.00 O ATOM 727 CB GLN A 49 1.366 -0.696 5.546 1.00 0.00 C ATOM 728 CG GLN A 49 2.345 -0.113 6.552 1.00 0.00 C ATOM 729 CD GLN A 49 2.446 1.397 6.458 1.00 0.00 C ATOM 730 OE1 GLN A 49 1.441 2.090 6.294 1.00 0.00 O ATOM 731 NE2 GLN A 49 3.664 1.916 6.561 1.00 0.00 N ATOM 0 H GLN A 49 1.963 -2.036 3.201 1.00 0.00 H new ATOM 0 HA GLN A 49 2.121 -2.638 6.096 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.444 -0.140 4.612 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.351 -0.555 5.917 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.034 -0.391 7.559 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.330 -0.550 6.390 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.469 1.305 6.696 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.794 2.926 6.505 1.00 0.00 H new ATOM 740 N ALA A 50 -0.188 -3.581 6.144 1.00 0.00 N ATOM 741 CA ALA A 50 -1.461 -4.281 6.113 1.00 0.00 C ATOM 742 C ALA A 50 -1.989 -4.521 7.525 1.00 0.00 C ATOM 743 O ALA A 50 -1.221 -4.819 8.439 1.00 0.00 O ATOM 744 CB ALA A 50 -1.305 -5.590 5.368 1.00 0.00 C ATOM 0 H ALA A 50 0.327 -3.680 7.019 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.189 -3.660 5.591 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.261 -6.113 5.346 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.977 -5.391 4.348 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.564 -6.210 5.873 1.00 0.00 H new ATOM 750 N THR A 51 -3.300 -4.384 7.699 1.00 0.00 N ATOM 751 CA THR A 51 -3.919 -4.584 9.006 1.00 0.00 C ATOM 752 C THR A 51 -3.682 -6.002 9.519 1.00 0.00 C ATOM 753 O THR A 51 -3.572 -6.945 8.735 1.00 0.00 O ATOM 754 CB THR A 51 -5.420 -4.304 8.933 1.00 0.00 C ATOM 755 OG1 THR A 51 -6.018 -5.055 7.893 1.00 0.00 O ATOM 756 CG2 THR A 51 -5.748 -2.846 8.696 1.00 0.00 C ATOM 0 H THR A 51 -3.952 -4.136 6.955 1.00 0.00 H new ATOM 0 HA THR A 51 -3.457 -3.885 9.703 1.00 0.00 H new ATOM 0 HB THR A 51 -5.816 -4.592 9.907 1.00 0.00 H new ATOM 0 HG1 THR A 51 -6.426 -5.864 8.267 1.00 0.00 H new ATOM 0 HG21 THR A 51 -6.830 -2.718 8.655 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.342 -2.245 9.510 1.00 0.00 H new ATOM 0 HG23 THR A 51 -5.309 -2.523 7.752 1.00 0.00 H new ATOM 847 N MET A 58 -10.205 -5.020 7.808 1.00 0.00 N ATOM 848 CA MET A 58 -9.075 -5.391 6.962 1.00 0.00 C ATOM 849 C MET A 58 -8.688 -4.255 6.024 1.00 0.00 C ATOM 850 O MET A 58 -9.531 -3.685 5.332 1.00 0.00 O ATOM 851 CB MET A 58 -9.391 -6.661 6.165 1.00 0.00 C ATOM 852 CG MET A 58 -10.468 -6.483 5.106 1.00 0.00 C ATOM 853 SD MET A 58 -12.133 -6.391 5.797 1.00 0.00 S ATOM 854 CE MET A 58 -12.154 -7.838 6.852 1.00 0.00 C ATOM 0 HA MET A 58 -8.224 -5.591 7.613 1.00 0.00 H new ATOM 0 HB2 MET A 58 -8.478 -7.010 5.683 1.00 0.00 H new ATOM 0 HB3 MET A 58 -9.704 -7.442 6.858 1.00 0.00 H new ATOM 0 HG2 MET A 58 -10.265 -5.574 4.540 1.00 0.00 H new ATOM 0 HG3 MET A 58 -10.418 -7.314 4.403 1.00 0.00 H new ATOM 0 HE1 MET A 58 -13.059 -8.415 6.661 1.00 0.00 H new ATOM 0 HE2 MET A 58 -11.280 -8.454 6.642 1.00 0.00 H new ATOM 0 HE3 MET A 58 -12.136 -7.527 7.897 1.00 0.00 H new ATOM 864 N MET A 59 -7.401 -3.927 6.018 1.00 0.00 N ATOM 865 CA MET A 59 -6.879 -2.857 5.182 1.00 0.00 C ATOM 866 C MET A 59 -5.434 -3.136 4.783 1.00 0.00 C ATOM 867 O MET A 59 -4.625 -3.561 5.606 1.00 0.00 O ATOM 868 CB MET A 59 -6.949 -1.534 5.942 1.00 0.00 C ATOM 869 CG MET A 59 -6.832 -0.304 5.058 1.00 0.00 C ATOM 870 SD MET A 59 -7.681 1.125 5.755 1.00 0.00 S ATOM 871 CE MET A 59 -7.031 1.127 7.427 1.00 0.00 C ATOM 0 H MET A 59 -6.696 -4.393 6.589 1.00 0.00 H new ATOM 0 HA MET A 59 -7.485 -2.799 4.278 1.00 0.00 H new ATOM 0 HB2 MET A 59 -7.893 -1.489 6.486 1.00 0.00 H new ATOM 0 HB3 MET A 59 -6.152 -1.511 6.685 1.00 0.00 H new ATOM 0 HG2 MET A 59 -5.779 -0.063 4.913 1.00 0.00 H new ATOM 0 HG3 MET A 59 -7.247 -0.526 4.075 1.00 0.00 H new ATOM 0 HE1 MET A 59 -7.214 2.098 7.887 1.00 0.00 H new ATOM 0 HE2 MET A 59 -7.525 0.350 8.010 1.00 0.00 H new ATOM 0 HE3 MET A 59 -5.959 0.934 7.401 1.00 0.00 H new ATOM 881 N LEU A 60 -5.109 -2.870 3.525 1.00 0.00 N ATOM 882 CA LEU A 60 -3.751 -3.069 3.031 1.00 0.00 C ATOM 883 C LEU A 60 -3.175 -1.750 2.538 1.00 0.00 C ATOM 884 O LEU A 60 -3.912 -0.871 2.095 1.00 0.00 O ATOM 885 CB LEU A 60 -3.721 -4.108 1.909 1.00 0.00 C ATOM 886 CG LEU A 60 -4.202 -5.512 2.289 1.00 0.00 C ATOM 887 CD1 LEU A 60 -3.856 -6.495 1.192 1.00 0.00 C ATOM 888 CD2 LEU A 60 -3.582 -5.979 3.595 1.00 0.00 C ATOM 0 H LEU A 60 -5.765 -2.517 2.828 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.141 -3.440 3.854 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.336 -3.744 1.086 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.700 -4.183 1.536 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.283 -5.466 2.418 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.202 -7.490 1.472 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.340 -6.190 0.264 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.776 -6.514 1.048 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.946 -6.978 3.833 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.497 -6.002 3.495 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.858 -5.292 4.395 1.00 0.00 H new ATOM 900 N ARG A 61 -1.859 -1.602 2.636 1.00 0.00 N ATOM 901 CA ARG A 61 -1.206 -0.369 2.214 1.00 0.00 C ATOM 902 C ARG A 61 0.223 -0.602 1.736 1.00 0.00 C ATOM 903 O ARG A 61 0.924 -1.477 2.237 1.00 0.00 O ATOM 904 CB ARG A 61 -1.178 0.622 3.374 1.00 0.00 C ATOM 905 CG ARG A 61 -0.959 2.062 2.941 1.00 0.00 C ATOM 906 CD ARG A 61 -0.179 2.846 3.985 1.00 0.00 C ATOM 907 NE ARG A 61 -0.605 4.241 4.054 1.00 0.00 N ATOM 908 CZ ARG A 61 -0.355 5.043 5.086 1.00 0.00 C ATOM 909 NH1 ARG A 61 0.317 4.591 6.138 1.00 0.00 N ATOM 910 NH2 ARG A 61 -0.777 6.299 5.067 1.00 0.00 N ATOM 0 H ARG A 61 -1.227 -2.315 3.001 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.782 0.028 1.378 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.119 0.555 3.920 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.386 0.335 4.066 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.420 2.080 1.994 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.923 2.542 2.769 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.309 2.379 4.961 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.885 2.803 3.750 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.125 4.623 3.264 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.644 3.625 6.158 1.00 0.00 H new ATOM 0 HH12 ARG A 61 0.506 5.210 6.927 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.294 6.651 4.261 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -0.585 6.913 5.858 1.00 0.00 H new ATOM 924 N LEU A 62 0.651 0.216 0.780 1.00 0.00 N ATOM 925 CA LEU A 62 2.006 0.139 0.248 1.00 0.00 C ATOM 926 C LEU A 62 2.656 1.518 0.282 1.00 0.00 C ATOM 927 O LEU A 62 2.170 2.456 -0.347 1.00 0.00 O ATOM 928 CB LEU A 62 1.998 -0.399 -1.182 1.00 0.00 C ATOM 929 CG LEU A 62 1.405 -1.795 -1.336 1.00 0.00 C ATOM 930 CD1 LEU A 62 0.143 -1.734 -2.172 1.00 0.00 C ATOM 931 CD2 LEU A 62 2.418 -2.760 -1.945 1.00 0.00 C ATOM 0 H LEU A 62 0.075 0.943 0.356 1.00 0.00 H new ATOM 0 HA LEU A 62 2.582 -0.546 0.870 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.436 0.291 -1.812 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.022 -0.411 -1.557 1.00 0.00 H new ATOM 0 HG LEU A 62 1.149 -2.172 -0.346 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.273 -2.736 -2.276 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.586 -1.087 -1.684 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.379 -1.335 -3.158 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.967 -3.747 -2.043 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.718 -2.399 -2.929 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.294 -2.824 -1.299 1.00 0.00 H new ATOM 943 N ILE A 63 3.750 1.644 1.023 1.00 0.00 N ATOM 944 CA ILE A 63 4.444 2.921 1.131 1.00 0.00 C ATOM 945 C ILE A 63 5.260 3.208 -0.124 1.00 0.00 C ATOM 946 O ILE A 63 5.630 2.293 -0.852 1.00 0.00 O ATOM 947 CB ILE A 63 5.379 2.952 2.355 1.00 0.00 C ATOM 948 CG1 ILE A 63 4.629 2.503 3.608 1.00 0.00 C ATOM 949 CG2 ILE A 63 5.959 4.347 2.547 1.00 0.00 C ATOM 950 CD1 ILE A 63 3.525 3.451 4.023 1.00 0.00 C ATOM 0 H ILE A 63 4.173 0.883 1.555 1.00 0.00 H new ATOM 0 HA ILE A 63 3.679 3.688 1.249 1.00 0.00 H new ATOM 0 HB ILE A 63 6.203 2.260 2.181 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.202 1.516 3.432 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.338 2.402 4.430 1.00 0.00 H new ATOM 0 HG21 ILE A 63 6.617 4.351 3.416 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.527 4.630 1.661 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.149 5.060 2.702 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.036 3.070 4.919 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.948 4.434 4.231 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.795 3.534 3.218 1.00 0.00 H new ATOM 962 N GLY A 64 5.532 4.485 -0.369 1.00 0.00 N ATOM 963 CA GLY A 64 6.300 4.867 -1.540 1.00 0.00 C ATOM 964 C GLY A 64 7.610 5.541 -1.181 1.00 0.00 C ATOM 965 O GLY A 64 7.693 6.258 -0.184 1.00 0.00 O ATOM 0 H GLY A 64 5.235 5.262 0.221 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.504 3.981 -2.142 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.705 5.541 -2.156 1.00 0.00 H new ATOM 991 N VAL A 66 10.234 8.112 -0.805 1.00 0.00 N ATOM 992 CA VAL A 66 10.221 9.570 -0.795 1.00 0.00 C ATOM 993 C VAL A 66 11.619 10.133 -1.034 1.00 0.00 C ATOM 994 O VAL A 66 12.618 9.436 -0.854 1.00 0.00 O ATOM 995 CB VAL A 66 9.669 10.117 0.535 1.00 0.00 C ATOM 996 CG1 VAL A 66 10.589 9.767 1.692 1.00 0.00 C ATOM 997 CG2 VAL A 66 9.458 11.621 0.450 1.00 0.00 C ATOM 0 HA VAL A 66 9.565 9.889 -1.605 1.00 0.00 H new ATOM 0 HB VAL A 66 8.704 9.645 0.719 1.00 0.00 H new ATOM 0 HG11 VAL A 66 10.176 10.165 2.619 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.679 8.684 1.771 1.00 0.00 H new ATOM 0 HG13 VAL A 66 11.574 10.201 1.518 1.00 0.00 H new ATOM 0 HG21 VAL A 66 9.068 11.988 1.399 1.00 0.00 H new ATOM 0 HG22 VAL A 66 10.408 12.110 0.235 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.747 11.844 -0.345 1.00 0.00 H new ATOM 1007 N ASP A 67 11.683 11.396 -1.442 1.00 0.00 N ATOM 1008 CA ASP A 67 12.959 12.050 -1.708 1.00 0.00 C ATOM 1009 C ASP A 67 13.194 13.206 -0.739 1.00 0.00 C ATOM 1010 O ASP A 67 13.691 14.263 -1.128 1.00 0.00 O ATOM 1011 CB ASP A 67 13.003 12.560 -3.150 1.00 0.00 C ATOM 1012 CG ASP A 67 12.675 11.476 -4.157 1.00 0.00 C ATOM 1013 OD1 ASP A 67 13.561 10.642 -4.442 1.00 0.00 O ATOM 1014 OD2 ASP A 67 11.532 11.460 -4.662 1.00 0.00 O ATOM 0 H ASP A 67 10.866 11.987 -1.596 1.00 0.00 H new ATOM 0 HA ASP A 67 13.751 11.315 -1.565 1.00 0.00 H new ATOM 0 HB2 ASP A 67 12.297 13.383 -3.263 1.00 0.00 H new ATOM 0 HB3 ASP A 67 13.995 12.960 -3.361 1.00 0.00 H new ATOM 1019 N GLU A 68 12.834 12.997 0.523 1.00 0.00 N ATOM 1020 CA GLU A 68 13.008 14.022 1.546 1.00 0.00 C ATOM 1021 C GLU A 68 14.487 14.326 1.772 1.00 0.00 C ATOM 1022 O GLU A 68 14.840 15.389 2.283 1.00 0.00 O ATOM 1023 CB GLU A 68 12.361 13.577 2.859 1.00 0.00 C ATOM 1024 CG GLU A 68 13.008 12.344 3.470 1.00 0.00 C ATOM 1025 CD GLU A 68 12.506 12.056 4.871 1.00 0.00 C ATOM 1026 OE1 GLU A 68 11.352 12.426 5.176 1.00 0.00 O ATOM 1027 OE2 GLU A 68 13.266 11.462 5.663 1.00 0.00 O ATOM 0 H GLU A 68 12.420 12.128 0.862 1.00 0.00 H new ATOM 0 HA GLU A 68 12.520 14.932 1.197 1.00 0.00 H new ATOM 0 HB2 GLU A 68 12.412 14.397 3.576 1.00 0.00 H new ATOM 0 HB3 GLU A 68 11.305 13.373 2.683 1.00 0.00 H new ATOM 0 HG2 GLU A 68 12.811 11.482 2.833 1.00 0.00 H new ATOM 0 HG3 GLU A 68 14.089 12.481 3.496 1.00 0.00 H new ATOM 1034 N SER A 69 15.346 13.389 1.389 1.00 0.00 N ATOM 1035 CA SER A 69 16.786 13.558 1.549 1.00 0.00 C ATOM 1036 C SER A 69 17.397 14.246 0.332 1.00 0.00 C ATOM 1037 O SER A 69 18.468 14.846 0.418 1.00 0.00 O ATOM 1038 CB SER A 69 17.459 12.205 1.777 1.00 0.00 C ATOM 1039 OG SER A 69 18.866 12.343 1.876 1.00 0.00 O ATOM 0 H SER A 69 15.070 12.503 0.965 1.00 0.00 H new ATOM 0 HA SER A 69 16.954 14.191 2.421 1.00 0.00 H new ATOM 0 HB2 SER A 69 17.070 11.752 2.689 1.00 0.00 H new ATOM 0 HB3 SER A 69 17.214 11.531 0.956 1.00 0.00 H new ATOM 0 HG SER A 69 19.271 11.463 2.023 1.00 0.00 H new ATOM 1045 N LYS A 70 16.709 14.153 -0.800 1.00 0.00 N ATOM 1046 CA LYS A 70 17.183 14.767 -2.035 1.00 0.00 C ATOM 1047 C LYS A 70 16.785 16.237 -2.098 1.00 0.00 C ATOM 1048 O LYS A 70 17.571 17.087 -2.517 1.00 0.00 O ATOM 1049 CB LYS A 70 16.621 14.023 -3.248 1.00 0.00 C ATOM 1050 CG LYS A 70 16.793 12.515 -3.169 1.00 0.00 C ATOM 1051 CD LYS A 70 18.097 12.068 -3.809 1.00 0.00 C ATOM 1052 CE LYS A 70 17.880 11.568 -5.228 1.00 0.00 C ATOM 1053 NZ LYS A 70 19.167 11.318 -5.932 1.00 0.00 N ATOM 0 H LYS A 70 15.821 13.658 -0.888 1.00 0.00 H new ATOM 0 HA LYS A 70 18.271 14.702 -2.049 1.00 0.00 H new ATOM 0 HB2 LYS A 70 15.561 14.255 -3.347 1.00 0.00 H new ATOM 0 HB3 LYS A 70 17.113 14.390 -4.149 1.00 0.00 H new ATOM 0 HG2 LYS A 70 16.772 12.200 -2.126 1.00 0.00 H new ATOM 0 HG3 LYS A 70 15.956 12.026 -3.667 1.00 0.00 H new ATOM 0 HD2 LYS A 70 18.802 12.899 -3.819 1.00 0.00 H new ATOM 0 HD3 LYS A 70 18.546 11.277 -3.208 1.00 0.00 H new ATOM 0 HE2 LYS A 70 17.295 10.648 -5.203 1.00 0.00 H new ATOM 0 HE3 LYS A 70 17.298 12.301 -5.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 18.975 10.978 -6.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 19.714 12.201 -5.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 19.712 10.600 -5.414 1.00 0.00 H new ATOM 1067 N LYS A 71 15.559 16.531 -1.675 1.00 0.00 N ATOM 1068 CA LYS A 71 15.054 17.899 -1.681 1.00 0.00 C ATOM 1069 C LYS A 71 15.004 18.458 -3.100 1.00 0.00 C ATOM 1070 O LYS A 71 15.989 19.002 -3.599 1.00 0.00 O ATOM 1071 CB LYS A 71 15.931 18.792 -0.801 1.00 0.00 C ATOM 1072 CG LYS A 71 15.471 18.859 0.647 1.00 0.00 C ATOM 1073 CD LYS A 71 16.350 19.788 1.468 1.00 0.00 C ATOM 1074 CE LYS A 71 17.445 19.023 2.192 1.00 0.00 C ATOM 1075 NZ LYS A 71 17.792 19.651 3.497 1.00 0.00 N ATOM 0 H LYS A 71 14.897 15.839 -1.324 1.00 0.00 H new ATOM 0 HA LYS A 71 14.040 17.885 -1.280 1.00 0.00 H new ATOM 0 HB2 LYS A 71 16.956 18.423 -0.831 1.00 0.00 H new ATOM 0 HB3 LYS A 71 15.942 19.799 -1.217 1.00 0.00 H new ATOM 0 HG2 LYS A 71 14.438 19.205 0.686 1.00 0.00 H new ATOM 0 HG3 LYS A 71 15.489 17.860 1.082 1.00 0.00 H new ATOM 0 HD2 LYS A 71 16.799 20.537 0.816 1.00 0.00 H new ATOM 0 HD3 LYS A 71 15.738 20.323 2.194 1.00 0.00 H new ATOM 0 HE2 LYS A 71 17.121 17.996 2.358 1.00 0.00 H new ATOM 0 HE3 LYS A 71 18.334 18.979 1.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 18.543 19.099 3.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 18.126 20.623 3.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 16.950 19.670 4.108 1.00 0.00 H new ATOM 1089 N ARG A 72 13.849 18.320 -3.744 1.00 0.00 N ATOM 1090 CA ARG A 72 13.666 18.812 -5.103 1.00 0.00 C ATOM 1091 C ARG A 72 13.849 20.326 -5.158 1.00 0.00 C ATOM 1092 O ARG A 72 14.177 20.957 -4.154 1.00 0.00 O ATOM 1093 CB ARG A 72 12.273 18.435 -5.613 1.00 0.00 C ATOM 1094 CG ARG A 72 12.299 17.549 -6.847 1.00 0.00 C ATOM 1095 CD ARG A 72 11.830 18.297 -8.085 1.00 0.00 C ATOM 1096 NE ARG A 72 12.725 18.091 -9.221 1.00 0.00 N ATOM 1097 CZ ARG A 72 12.383 18.326 -10.486 1.00 0.00 C ATOM 1098 NH1 ARG A 72 11.168 18.775 -10.780 1.00 0.00 N ATOM 1099 NH2 ARG A 72 13.257 18.113 -11.459 1.00 0.00 N ATOM 0 H ARG A 72 13.025 17.870 -3.345 1.00 0.00 H new ATOM 0 HA ARG A 72 14.419 18.350 -5.741 1.00 0.00 H new ATOM 0 HB2 ARG A 72 11.730 17.922 -4.819 1.00 0.00 H new ATOM 0 HB3 ARG A 72 11.719 19.346 -5.841 1.00 0.00 H new ATOM 0 HG2 ARG A 72 13.311 17.178 -7.007 1.00 0.00 H new ATOM 0 HG3 ARG A 72 11.663 16.679 -6.684 1.00 0.00 H new ATOM 0 HD2 ARG A 72 10.826 17.966 -8.350 1.00 0.00 H new ATOM 0 HD3 ARG A 72 11.766 19.362 -7.862 1.00 0.00 H new ATOM 0 HE ARG A 72 13.667 17.747 -9.034 1.00 0.00 H new ATOM 0 HH11 ARG A 72 10.492 18.941 -10.035 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.911 18.953 -11.751 1.00 0.00 H new ATOM 0 HH21 ARG A 72 14.192 17.769 -11.239 1.00 0.00 H new ATOM 0 HH22 ARG A 72 12.995 18.293 -12.428 1.00 0.00 H new ATOM 1113 N LYS A 73 13.634 20.901 -6.336 1.00 0.00 N ATOM 1114 CA LYS A 73 13.773 22.341 -6.518 1.00 0.00 C ATOM 1115 C LYS A 73 12.695 22.875 -7.457 1.00 0.00 C ATOM 1116 O LYS A 73 11.759 22.159 -7.812 1.00 0.00 O ATOM 1117 CB LYS A 73 15.159 22.682 -7.068 1.00 0.00 C ATOM 1118 CG LYS A 73 16.299 22.026 -6.303 1.00 0.00 C ATOM 1119 CD LYS A 73 17.413 23.015 -6.000 1.00 0.00 C ATOM 1120 CE LYS A 73 18.704 22.304 -5.632 1.00 0.00 C ATOM 1121 NZ LYS A 73 19.899 23.005 -6.178 1.00 0.00 N ATOM 0 H LYS A 73 13.363 20.393 -7.178 1.00 0.00 H new ATOM 0 HA LYS A 73 13.653 22.816 -5.544 1.00 0.00 H new ATOM 0 HB2 LYS A 73 15.211 22.376 -8.113 1.00 0.00 H new ATOM 0 HB3 LYS A 73 15.293 23.763 -7.046 1.00 0.00 H new ATOM 0 HG2 LYS A 73 15.919 21.608 -5.371 1.00 0.00 H new ATOM 0 HG3 LYS A 73 16.698 21.195 -6.885 1.00 0.00 H new ATOM 0 HD2 LYS A 73 17.582 23.652 -6.868 1.00 0.00 H new ATOM 0 HD3 LYS A 73 17.109 23.667 -5.181 1.00 0.00 H new ATOM 0 HE2 LYS A 73 18.786 22.238 -4.547 1.00 0.00 H new ATOM 0 HE3 LYS A 73 18.677 21.283 -6.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 20.759 22.488 -5.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 19.834 23.045 -7.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 19.939 23.971 -5.796 1.00 0.00 H new ATOM 1135 N ASP A 74 12.833 24.135 -7.854 1.00 0.00 N ATOM 1136 CA ASP A 74 11.870 24.762 -8.752 1.00 0.00 C ATOM 1137 C ASP A 74 12.561 25.336 -9.979 1.00 0.00 C ATOM 1138 O ASP A 74 12.385 24.847 -11.096 1.00 0.00 O ATOM 1139 CB ASP A 74 11.103 25.865 -8.020 1.00 0.00 C ATOM 1140 CG ASP A 74 10.020 26.486 -8.881 1.00 0.00 C ATOM 1141 OD1 ASP A 74 10.351 27.010 -9.966 1.00 0.00 O ATOM 1142 OD2 ASP A 74 8.841 26.447 -8.472 1.00 0.00 O ATOM 0 H ASP A 74 13.601 24.742 -7.569 1.00 0.00 H new ATOM 0 HA ASP A 74 11.167 23.996 -9.081 1.00 0.00 H new ATOM 0 HB2 ASP A 74 10.653 25.453 -7.117 1.00 0.00 H new ATOM 0 HB3 ASP A 74 11.801 26.640 -7.704 1.00 0.00 H new ATOM 1147 N ASN A 75 13.348 26.373 -9.758 1.00 0.00 N ATOM 1148 CA ASN A 75 14.081 27.032 -10.835 1.00 0.00 C ATOM 1149 C ASN A 75 14.895 28.207 -10.306 1.00 0.00 C ATOM 1150 O ASN A 75 15.977 28.504 -10.810 1.00 0.00 O ATOM 1151 CB ASN A 75 13.117 27.513 -11.921 1.00 0.00 C ATOM 1152 CG ASN A 75 13.685 27.339 -13.316 1.00 0.00 C ATOM 1153 OD1 ASN A 75 14.777 27.820 -13.618 1.00 0.00 O ATOM 1154 ND2 ASN A 75 12.944 26.649 -14.175 1.00 0.00 N ATOM 0 H ASN A 75 13.500 26.783 -8.836 1.00 0.00 H new ATOM 0 HA ASN A 75 14.768 26.304 -11.266 1.00 0.00 H new ATOM 0 HB2 ASN A 75 12.180 26.962 -11.842 1.00 0.00 H new ATOM 0 HB3 ASN A 75 12.883 28.565 -11.755 1.00 0.00 H new ATOM 0 HD21 ASN A 75 13.274 26.500 -15.128 1.00 0.00 H new ATOM 0 HD22 ASN A 75 12.044 26.268 -13.881 1.00 0.00 H new ATOM 1161 N GLU A 76 14.364 28.866 -9.288 1.00 0.00 N ATOM 1162 CA GLU A 76 15.034 30.012 -8.682 1.00 0.00 C ATOM 1163 C GLU A 76 15.834 29.589 -7.455 1.00 0.00 C ATOM 1164 O GLU A 76 15.879 30.304 -6.453 1.00 0.00 O ATOM 1165 CB GLU A 76 14.008 31.078 -8.292 1.00 0.00 C ATOM 1166 CG GLU A 76 14.594 32.477 -8.189 1.00 0.00 C ATOM 1167 CD GLU A 76 13.904 33.321 -7.136 1.00 0.00 C ATOM 1168 OE1 GLU A 76 12.655 33.322 -7.099 1.00 0.00 O ATOM 1169 OE2 GLU A 76 14.611 33.982 -6.347 1.00 0.00 O ATOM 0 H GLU A 76 13.469 28.628 -8.861 1.00 0.00 H new ATOM 0 HA GLU A 76 15.723 30.429 -9.416 1.00 0.00 H new ATOM 0 HB2 GLU A 76 13.204 31.083 -9.028 1.00 0.00 H new ATOM 0 HB3 GLU A 76 13.562 30.808 -7.335 1.00 0.00 H new ATOM 0 HG2 GLU A 76 15.656 32.406 -7.954 1.00 0.00 H new ATOM 0 HG3 GLU A 76 14.514 32.973 -9.156 1.00 0.00 H new ATOM 1176 N GLY A 77 16.464 28.422 -7.538 1.00 0.00 N ATOM 1177 CA GLY A 77 17.253 27.924 -6.426 1.00 0.00 C ATOM 1178 C GLY A 77 16.398 27.458 -5.261 1.00 0.00 C ATOM 1179 O GLY A 77 16.917 27.151 -4.188 1.00 0.00 O ATOM 0 H GLY A 77 16.442 27.812 -8.355 1.00 0.00 H new ATOM 0 HA2 GLY A 77 17.874 27.097 -6.769 1.00 0.00 H new ATOM 0 HA3 GLY A 77 17.928 28.709 -6.085 1.00 0.00 H new ATOM 1183 N ASN A 78 15.084 27.404 -5.468 1.00 0.00 N ATOM 1184 CA ASN A 78 14.164 26.970 -4.424 1.00 0.00 C ATOM 1185 C ASN A 78 14.478 25.545 -3.979 1.00 0.00 C ATOM 1186 O ASN A 78 15.471 24.956 -4.405 1.00 0.00 O ATOM 1187 CB ASN A 78 12.719 27.058 -4.920 1.00 0.00 C ATOM 1188 CG ASN A 78 12.027 28.328 -4.462 1.00 0.00 C ATOM 1189 OD1 ASN A 78 11.654 28.459 -3.297 1.00 0.00 O ATOM 1190 ND2 ASN A 78 11.852 29.270 -5.381 1.00 0.00 N ATOM 0 H ASN A 78 14.635 27.655 -6.349 1.00 0.00 H new ATOM 0 HA ASN A 78 14.287 27.632 -3.567 1.00 0.00 H new ATOM 0 HB2 ASN A 78 12.708 27.014 -6.009 1.00 0.00 H new ATOM 0 HB3 ASN A 78 12.161 26.193 -4.561 1.00 0.00 H new ATOM 0 HD21 ASN A 78 11.392 30.146 -5.132 1.00 0.00 H new ATOM 0 HD22 ASN A 78 12.178 29.118 -6.336 1.00 0.00 H new ATOM 1197 N GLU A 79 13.624 24.996 -3.122 1.00 0.00 N ATOM 1198 CA GLU A 79 13.809 23.640 -2.619 1.00 0.00 C ATOM 1199 C GLU A 79 12.474 23.026 -2.208 1.00 0.00 C ATOM 1200 O GLU A 79 11.645 23.685 -1.580 1.00 0.00 O ATOM 1201 CB GLU A 79 14.773 23.640 -1.430 1.00 0.00 C ATOM 1202 CG GLU A 79 16.221 23.397 -1.822 1.00 0.00 C ATOM 1203 CD GLU A 79 17.182 24.331 -1.113 1.00 0.00 C ATOM 1204 OE1 GLU A 79 16.812 25.503 -0.885 1.00 0.00 O ATOM 1205 OE2 GLU A 79 18.304 23.892 -0.784 1.00 0.00 O ATOM 0 H GLU A 79 12.796 25.470 -2.761 1.00 0.00 H new ATOM 0 HA GLU A 79 14.234 23.037 -3.421 1.00 0.00 H new ATOM 0 HB2 GLU A 79 14.701 24.597 -0.914 1.00 0.00 H new ATOM 0 HB3 GLU A 79 14.463 22.872 -0.721 1.00 0.00 H new ATOM 0 HG2 GLU A 79 16.487 22.365 -1.593 1.00 0.00 H new ATOM 0 HG3 GLU A 79 16.328 23.522 -2.900 1.00 0.00 H new ATOM 1212 N VAL A 80 12.272 21.763 -2.567 1.00 0.00 N ATOM 1213 CA VAL A 80 11.036 21.062 -2.237 1.00 0.00 C ATOM 1214 C VAL A 80 11.319 19.730 -1.557 1.00 0.00 C ATOM 1215 O VAL A 80 12.288 19.049 -1.881 1.00 0.00 O ATOM 1216 CB VAL A 80 10.176 20.798 -3.480 1.00 0.00 C ATOM 1217 CG1 VAL A 80 8.717 20.609 -3.092 1.00 0.00 C ATOM 1218 CG2 VAL A 80 10.330 21.917 -4.502 1.00 0.00 C ATOM 0 H VAL A 80 12.948 21.203 -3.087 1.00 0.00 H new ATOM 0 HA VAL A 80 10.490 21.716 -1.557 1.00 0.00 H new ATOM 0 HB VAL A 80 10.526 19.876 -3.944 1.00 0.00 H new ATOM 0 HG11 VAL A 80 8.124 20.423 -3.987 1.00 0.00 H new ATOM 0 HG12 VAL A 80 8.628 19.760 -2.415 1.00 0.00 H new ATOM 0 HG13 VAL A 80 8.353 21.509 -2.596 1.00 0.00 H new ATOM 0 HG21 VAL A 80 9.709 21.703 -5.372 1.00 0.00 H new ATOM 0 HG22 VAL A 80 10.018 22.862 -4.057 1.00 0.00 H new ATOM 0 HG23 VAL A 80 11.373 21.988 -4.809 1.00 0.00 H new ATOM 1228 N VAL A 81 10.454 19.358 -0.622 1.00 0.00 N ATOM 1229 CA VAL A 81 10.597 18.099 0.095 1.00 0.00 C ATOM 1230 C VAL A 81 9.333 17.258 -0.063 1.00 0.00 C ATOM 1231 O VAL A 81 8.574 17.076 0.888 1.00 0.00 O ATOM 1232 CB VAL A 81 10.890 18.330 1.592 1.00 0.00 C ATOM 1233 CG1 VAL A 81 10.906 17.010 2.353 1.00 0.00 C ATOM 1234 CG2 VAL A 81 12.211 19.063 1.763 1.00 0.00 C ATOM 0 H VAL A 81 9.645 19.912 -0.343 1.00 0.00 H new ATOM 0 HA VAL A 81 11.444 17.566 -0.336 1.00 0.00 H new ATOM 0 HB VAL A 81 10.093 18.947 2.006 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.115 17.200 3.406 1.00 0.00 H new ATOM 0 HG12 VAL A 81 9.936 16.523 2.257 1.00 0.00 H new ATOM 0 HG13 VAL A 81 11.679 16.362 1.941 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.406 19.220 2.824 1.00 0.00 H new ATOM 0 HG22 VAL A 81 13.016 18.468 1.330 1.00 0.00 H new ATOM 0 HG23 VAL A 81 12.160 20.027 1.257 1.00 0.00 H new ATOM 1244 N PRO A 82 9.092 16.740 -1.280 1.00 0.00 N ATOM 1245 CA PRO A 82 7.915 15.921 -1.574 1.00 0.00 C ATOM 1246 C PRO A 82 7.619 14.901 -0.480 1.00 0.00 C ATOM 1247 O PRO A 82 8.476 14.096 -0.121 1.00 0.00 O ATOM 1248 CB PRO A 82 8.304 15.217 -2.872 1.00 0.00 C ATOM 1249 CG PRO A 82 9.219 16.173 -3.558 1.00 0.00 C ATOM 1250 CD PRO A 82 9.950 16.918 -2.469 1.00 0.00 C ATOM 0 HA PRO A 82 7.007 16.520 -1.646 1.00 0.00 H new ATOM 0 HB2 PRO A 82 8.799 14.266 -2.674 1.00 0.00 H new ATOM 0 HB3 PRO A 82 7.428 14.999 -3.483 1.00 0.00 H new ATOM 0 HG2 PRO A 82 9.919 15.644 -4.205 1.00 0.00 H new ATOM 0 HG3 PRO A 82 8.658 16.861 -4.191 1.00 0.00 H new ATOM 0 HD2 PRO A 82 10.948 16.510 -2.306 1.00 0.00 H new ATOM 0 HD3 PRO A 82 10.073 17.972 -2.719 1.00 0.00 H new ATOM 1258 N LYS A 83 6.399 14.942 0.045 1.00 0.00 N ATOM 1259 CA LYS A 83 5.988 14.021 1.099 1.00 0.00 C ATOM 1260 C LYS A 83 6.095 12.575 0.632 1.00 0.00 C ATOM 1261 O LYS A 83 6.220 12.300 -0.561 1.00 0.00 O ATOM 1262 CB LYS A 83 4.556 14.324 1.543 1.00 0.00 C ATOM 1263 CG LYS A 83 4.345 15.766 1.975 1.00 0.00 C ATOM 1264 CD LYS A 83 4.464 15.918 3.483 1.00 0.00 C ATOM 1265 CE LYS A 83 4.780 17.352 3.875 1.00 0.00 C ATOM 1266 NZ LYS A 83 4.138 17.731 5.164 1.00 0.00 N ATOM 0 H LYS A 83 5.677 15.603 -0.242 1.00 0.00 H new ATOM 0 HA LYS A 83 6.659 14.159 1.947 1.00 0.00 H new ATOM 0 HB2 LYS A 83 3.874 14.096 0.724 1.00 0.00 H new ATOM 0 HB3 LYS A 83 4.293 13.664 2.370 1.00 0.00 H new ATOM 0 HG2 LYS A 83 5.079 16.405 1.485 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.361 16.104 1.651 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.532 15.607 3.956 1.00 0.00 H new ATOM 0 HD3 LYS A 83 5.246 15.257 3.856 1.00 0.00 H new ATOM 0 HE2 LYS A 83 5.860 17.476 3.957 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.441 18.026 3.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 4.378 18.716 5.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 3.106 17.637 5.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 4.481 17.104 5.920 1.00 0.00 H new ATOM 1280 N PRO A 84 6.063 11.633 1.583 1.00 0.00 N ATOM 1281 CA PRO A 84 6.172 10.203 1.308 1.00 0.00 C ATOM 1282 C PRO A 84 4.845 9.597 0.861 1.00 0.00 C ATOM 1283 O PRO A 84 3.937 9.401 1.670 1.00 0.00 O ATOM 1284 CB PRO A 84 6.612 9.616 2.665 1.00 0.00 C ATOM 1285 CG PRO A 84 6.813 10.797 3.567 1.00 0.00 C ATOM 1286 CD PRO A 84 5.939 11.876 3.018 1.00 0.00 C ATOM 0 HA PRO A 84 6.865 9.991 0.494 1.00 0.00 H new ATOM 0 HB2 PRO A 84 5.855 8.941 3.065 1.00 0.00 H new ATOM 0 HB3 PRO A 84 7.531 9.039 2.563 1.00 0.00 H new ATOM 0 HG2 PRO A 84 6.540 10.556 4.594 1.00 0.00 H new ATOM 0 HG3 PRO A 84 7.858 11.107 3.579 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.909 11.788 3.364 1.00 0.00 H new ATOM 0 HD3 PRO A 84 6.286 12.870 3.299 1.00 0.00 H new ATOM 1311 N ARG A 86 1.983 6.962 -0.373 1.00 0.00 N ATOM 1312 CA ARG A 86 1.581 5.661 0.153 1.00 0.00 C ATOM 1313 C ARG A 86 0.245 5.237 -0.449 1.00 0.00 C ATOM 1314 O ARG A 86 -0.674 6.049 -0.568 1.00 0.00 O ATOM 1315 CB ARG A 86 1.469 5.710 1.679 1.00 0.00 C ATOM 1316 CG ARG A 86 2.587 6.490 2.352 1.00 0.00 C ATOM 1317 CD ARG A 86 2.466 6.443 3.866 1.00 0.00 C ATOM 1318 NE ARG A 86 3.755 6.645 4.525 1.00 0.00 N ATOM 1319 CZ ARG A 86 3.895 6.844 5.833 1.00 0.00 C ATOM 1320 NH1 ARG A 86 2.831 6.868 6.626 1.00 0.00 N ATOM 1321 NH2 ARG A 86 5.103 7.020 6.352 1.00 0.00 N ATOM 0 HA ARG A 86 2.343 4.931 -0.121 1.00 0.00 H new ATOM 0 HB2 ARG A 86 0.513 6.158 1.950 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.465 4.691 2.067 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.551 6.080 2.050 1.00 0.00 H new ATOM 0 HG3 ARG A 86 2.562 7.527 2.016 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.765 7.209 4.198 1.00 0.00 H new ATOM 0 HD3 ARG A 86 2.052 5.481 4.167 1.00 0.00 H new ATOM 0 HE ARG A 86 4.596 6.633 3.948 1.00 0.00 H new ATOM 0 HH11 ARG A 86 1.899 6.733 6.233 1.00 0.00 H new ATOM 0 HH12 ARG A 86 2.945 7.021 7.628 1.00 0.00 H new ATOM 0 HH21 ARG A 86 5.925 7.003 5.748 1.00 0.00 H new ATOM 0 HH22 ARG A 86 5.210 7.173 7.355 1.00 0.00 H new ATOM 1335 N HIS A 87 0.136 3.968 -0.828 1.00 0.00 N ATOM 1336 CA HIS A 87 -1.098 3.459 -1.415 1.00 0.00 C ATOM 1337 C HIS A 87 -1.940 2.753 -0.361 1.00 0.00 C ATOM 1338 O HIS A 87 -1.566 1.692 0.131 1.00 0.00 O ATOM 1339 CB HIS A 87 -0.784 2.501 -2.564 1.00 0.00 C ATOM 1340 CG HIS A 87 0.344 2.959 -3.435 1.00 0.00 C ATOM 1341 ND1 HIS A 87 0.161 3.703 -4.580 1.00 0.00 N ATOM 1342 CD2 HIS A 87 1.681 2.776 -3.317 1.00 0.00 C ATOM 1343 CE1 HIS A 87 1.334 3.958 -5.131 1.00 0.00 C ATOM 1344 NE2 HIS A 87 2.273 3.408 -4.382 1.00 0.00 N ATOM 0 H HIS A 87 0.882 3.277 -0.740 1.00 0.00 H new ATOM 0 HA HIS A 87 -1.666 4.303 -1.806 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -0.540 1.521 -2.153 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -1.677 2.376 -3.176 1.00 0.00 H new ATOM 0 HD2 HIS A 87 2.187 2.234 -2.532 1.00 0.00 H new ATOM 0 HE1 HIS A 87 1.498 4.520 -6.039 1.00 0.00 H new ATOM 0 HE2 HIS A 87 3.276 3.447 -4.565 1.00 0.00 H new ATOM 1353 N MET A 88 -3.077 3.349 -0.018 1.00 0.00 N ATOM 1354 CA MET A 88 -3.968 2.772 0.981 1.00 0.00 C ATOM 1355 C MET A 88 -5.127 2.039 0.317 1.00 0.00 C ATOM 1356 O MET A 88 -5.882 2.622 -0.461 1.00 0.00 O ATOM 1357 CB MET A 88 -4.497 3.862 1.917 1.00 0.00 C ATOM 1358 CG MET A 88 -4.037 3.700 3.357 1.00 0.00 C ATOM 1359 SD MET A 88 -5.075 4.601 4.524 1.00 0.00 S ATOM 1360 CE MET A 88 -5.412 3.324 5.732 1.00 0.00 C ATOM 0 H MET A 88 -3.403 4.230 -0.416 1.00 0.00 H new ATOM 0 HA MET A 88 -3.399 2.051 1.568 1.00 0.00 H new ATOM 0 HB2 MET A 88 -4.174 4.835 1.548 1.00 0.00 H new ATOM 0 HB3 MET A 88 -5.587 3.856 1.889 1.00 0.00 H new ATOM 0 HG2 MET A 88 -4.038 2.642 3.618 1.00 0.00 H new ATOM 0 HG3 MET A 88 -3.008 4.049 3.447 1.00 0.00 H new ATOM 0 HE1 MET A 88 -6.364 3.529 6.222 1.00 0.00 H new ATOM 0 HE2 MET A 88 -5.462 2.356 5.234 1.00 0.00 H new ATOM 0 HE3 MET A 88 -4.616 3.308 6.477 1.00 0.00 H new ATOM 1370 N PHE A 89 -5.262 0.755 0.632 1.00 0.00 N ATOM 1371 CA PHE A 89 -6.328 -0.064 0.069 1.00 0.00 C ATOM 1372 C PHE A 89 -7.139 -0.733 1.176 1.00 0.00 C ATOM 1373 O PHE A 89 -6.614 -1.540 1.941 1.00 0.00 O ATOM 1374 CB PHE A 89 -5.739 -1.122 -0.865 1.00 0.00 C ATOM 1375 CG PHE A 89 -4.889 -0.549 -1.966 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -5.470 -0.074 -3.132 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -3.511 -0.487 -1.834 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -4.689 0.452 -4.146 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -2.728 0.037 -2.846 1.00 0.00 C ATOM 1380 CZ PHE A 89 -3.316 0.508 -4.002 1.00 0.00 C ATOM 0 H PHE A 89 -4.645 0.259 1.275 1.00 0.00 H new ATOM 0 HA PHE A 89 -6.995 0.583 -0.501 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.139 -1.818 -0.279 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.552 -1.697 -1.307 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -6.543 -0.115 -3.250 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.044 -0.852 -0.931 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.153 0.819 -5.050 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -1.655 0.078 -2.732 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.705 0.919 -4.792 1.00 0.00 H new ATOM 1390 N SER A 90 -8.421 -0.390 1.259 1.00 0.00 N ATOM 1391 CA SER A 90 -9.303 -0.956 2.278 1.00 0.00 C ATOM 1392 C SER A 90 -10.083 -2.144 1.731 1.00 0.00 C ATOM 1393 O SER A 90 -10.917 -1.994 0.839 1.00 0.00 O ATOM 1394 CB SER A 90 -10.283 0.105 2.779 1.00 0.00 C ATOM 1395 OG SER A 90 -9.769 1.410 2.578 1.00 0.00 O ATOM 0 H SER A 90 -8.873 0.277 0.634 1.00 0.00 H new ATOM 0 HA SER A 90 -8.679 -1.297 3.104 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.234 0.001 2.257 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.482 -0.051 3.839 1.00 0.00 H new ATOM 0 HG SER A 90 -10.415 2.070 2.905 1.00 0.00 H new ATOM 1401 N PHE A 91 -9.812 -3.321 2.275 1.00 0.00 N ATOM 1402 CA PHE A 91 -10.498 -4.530 1.840 1.00 0.00 C ATOM 1403 C PHE A 91 -11.747 -4.786 2.677 1.00 0.00 C ATOM 1404 O PHE A 91 -11.873 -4.286 3.794 1.00 0.00 O ATOM 1405 CB PHE A 91 -9.552 -5.726 1.919 1.00 0.00 C ATOM 1406 CG PHE A 91 -8.509 -5.718 0.842 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -7.508 -4.762 0.837 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -8.538 -6.660 -0.171 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -6.551 -4.748 -0.160 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -7.585 -6.651 -1.170 1.00 0.00 C ATOM 1411 CZ PHE A 91 -6.590 -5.694 -1.164 1.00 0.00 C ATOM 0 H PHE A 91 -9.125 -3.465 3.015 1.00 0.00 H new ATOM 0 HA PHE A 91 -10.811 -4.391 0.805 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -9.062 -5.731 2.892 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -10.132 -6.646 1.849 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -7.474 -4.019 1.620 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -9.315 -7.411 -0.180 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -5.774 -3.998 -0.153 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -7.618 -7.392 -1.955 1.00 0.00 H new ATOM 0 HZ PHE A 91 -5.843 -5.686 -1.944 1.00 0.00 H new ATOM 1421 N ASN A 92 -12.670 -5.567 2.124 1.00 0.00 N ATOM 1422 CA ASN A 92 -13.914 -5.892 2.815 1.00 0.00 C ATOM 1423 C ASN A 92 -13.988 -7.387 3.110 1.00 0.00 C ATOM 1424 O ASN A 92 -15.073 -7.968 3.160 1.00 0.00 O ATOM 1425 CB ASN A 92 -15.117 -5.464 1.975 1.00 0.00 C ATOM 1426 CG ASN A 92 -15.579 -4.057 2.301 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -15.321 -3.544 3.390 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -16.267 -3.426 1.356 1.00 0.00 N ATOM 0 H ASN A 92 -12.580 -5.987 1.199 1.00 0.00 H new ATOM 0 HA ASN A 92 -13.933 -5.349 3.760 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -14.858 -5.522 0.918 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -15.939 -6.161 2.141 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -16.605 -2.477 1.518 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -16.458 -3.890 0.468 1.00 0.00 H new ATOM 1435 N ASN A 93 -12.826 -8.001 3.299 1.00 0.00 N ATOM 1436 CA ASN A 93 -12.747 -9.428 3.585 1.00 0.00 C ATOM 1437 C ASN A 93 -11.316 -9.828 3.914 1.00 0.00 C ATOM 1438 O ASN A 93 -10.424 -9.738 3.070 1.00 0.00 O ATOM 1439 CB ASN A 93 -13.259 -10.238 2.393 1.00 0.00 C ATOM 1440 CG ASN A 93 -14.671 -10.749 2.601 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -15.269 -10.543 3.657 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -15.210 -11.421 1.590 1.00 0.00 N ATOM 0 H ASN A 93 -11.922 -7.530 3.259 1.00 0.00 H new ATOM 0 HA ASN A 93 -13.375 -9.641 4.450 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -13.229 -9.618 1.497 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -12.592 -11.083 2.219 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -16.157 -11.790 1.671 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -14.677 -11.568 0.733 1.00 0.00 H new ATOM 1449 N ARG A 94 -11.104 -10.276 5.147 1.00 0.00 N ATOM 1450 CA ARG A 94 -9.781 -10.695 5.588 1.00 0.00 C ATOM 1451 C ARG A 94 -9.248 -11.829 4.718 1.00 0.00 C ATOM 1452 O ARG A 94 -8.054 -12.121 4.730 1.00 0.00 O ATOM 1453 CB ARG A 94 -9.823 -11.135 7.052 1.00 0.00 C ATOM 1454 CG ARG A 94 -8.453 -11.463 7.628 1.00 0.00 C ATOM 1455 CD ARG A 94 -8.259 -10.836 8.999 1.00 0.00 C ATOM 1456 NE ARG A 94 -9.332 -11.193 9.923 1.00 0.00 N ATOM 1457 CZ ARG A 94 -9.453 -12.390 10.491 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -8.571 -13.348 10.233 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -10.460 -12.632 11.321 1.00 0.00 N ATOM 0 H ARG A 94 -11.832 -10.358 5.857 1.00 0.00 H new ATOM 0 HA ARG A 94 -9.108 -9.843 5.492 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -10.279 -10.344 7.648 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -10.465 -12.011 7.141 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -8.338 -12.544 7.702 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -7.678 -11.106 6.951 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -7.303 -11.158 9.412 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -8.214 -9.752 8.898 1.00 0.00 H new ATOM 0 HE ARG A 94 -10.030 -10.483 10.146 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -7.795 -13.169 9.596 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -8.669 -14.264 10.672 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -11.141 -11.900 11.523 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -10.553 -13.550 11.756 1.00 0.00 H new ATOM 1473 N THR A 95 -10.137 -12.463 3.958 1.00 0.00 N ATOM 1474 CA THR A 95 -9.742 -13.554 3.082 1.00 0.00 C ATOM 1475 C THR A 95 -9.008 -13.010 1.864 1.00 0.00 C ATOM 1476 O THR A 95 -7.975 -13.540 1.457 1.00 0.00 O ATOM 1477 CB THR A 95 -10.974 -14.358 2.670 1.00 0.00 C ATOM 1478 OG1 THR A 95 -11.083 -15.539 3.443 1.00 0.00 O ATOM 1479 CG2 THR A 95 -10.988 -14.763 1.213 1.00 0.00 C ATOM 0 H THR A 95 -11.132 -12.239 3.933 1.00 0.00 H new ATOM 0 HA THR A 95 -9.062 -14.218 3.615 1.00 0.00 H new ATOM 0 HB THR A 95 -11.815 -13.686 2.842 1.00 0.00 H new ATOM 0 HG1 THR A 95 -11.879 -16.039 3.166 1.00 0.00 H new ATOM 0 HG21 THR A 95 -11.895 -15.330 1.002 1.00 0.00 H new ATOM 0 HG22 THR A 95 -10.963 -13.871 0.587 1.00 0.00 H new ATOM 0 HG23 THR A 95 -10.116 -15.381 0.999 1.00 0.00 H new ATOM 1487 N VAL A 96 -9.544 -11.936 1.300 1.00 0.00 N ATOM 1488 CA VAL A 96 -8.932 -11.303 0.140 1.00 0.00 C ATOM 1489 C VAL A 96 -7.610 -10.677 0.545 1.00 0.00 C ATOM 1490 O VAL A 96 -6.584 -10.879 -0.104 1.00 0.00 O ATOM 1491 CB VAL A 96 -9.832 -10.210 -0.482 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -9.774 -10.266 -2.000 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -11.266 -10.330 0.009 1.00 0.00 C ATOM 0 H VAL A 96 -10.399 -11.486 1.626 1.00 0.00 H new ATOM 0 HA VAL A 96 -8.783 -12.080 -0.610 1.00 0.00 H new ATOM 0 HB VAL A 96 -9.451 -9.241 -0.160 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -10.414 -9.489 -2.417 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -8.748 -10.107 -2.331 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -10.119 -11.242 -2.342 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -11.873 -9.548 -0.446 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -11.665 -11.306 -0.267 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -11.289 -10.222 1.093 1.00 0.00 H new ATOM 1503 N MET A 97 -7.646 -9.925 1.639 1.00 0.00 N ATOM 1504 CA MET A 97 -6.448 -9.279 2.152 1.00 0.00 C ATOM 1505 C MET A 97 -5.415 -10.330 2.541 1.00 0.00 C ATOM 1506 O MET A 97 -4.213 -10.133 2.358 1.00 0.00 O ATOM 1507 CB MET A 97 -6.793 -8.387 3.349 1.00 0.00 C ATOM 1508 CG MET A 97 -6.858 -9.118 4.680 1.00 0.00 C ATOM 1509 SD MET A 97 -5.301 -9.055 5.583 1.00 0.00 S ATOM 1510 CE MET A 97 -5.778 -8.053 6.987 1.00 0.00 C ATOM 0 H MET A 97 -8.489 -9.749 2.185 1.00 0.00 H new ATOM 0 HA MET A 97 -6.024 -8.649 1.370 1.00 0.00 H new ATOM 0 HB2 MET A 97 -6.050 -7.593 3.421 1.00 0.00 H new ATOM 0 HB3 MET A 97 -7.755 -7.908 3.164 1.00 0.00 H new ATOM 0 HG2 MET A 97 -7.647 -8.680 5.292 1.00 0.00 H new ATOM 0 HG3 MET A 97 -7.130 -10.159 4.506 1.00 0.00 H new ATOM 0 HE1 MET A 97 -5.232 -7.110 6.963 1.00 0.00 H new ATOM 0 HE2 MET A 97 -6.849 -7.853 6.945 1.00 0.00 H new ATOM 0 HE3 MET A 97 -5.544 -8.585 7.909 1.00 0.00 H new ATOM 1520 N ASP A 98 -5.895 -11.453 3.068 1.00 0.00 N ATOM 1521 CA ASP A 98 -5.012 -12.541 3.468 1.00 0.00 C ATOM 1522 C ASP A 98 -4.268 -13.086 2.260 1.00 0.00 C ATOM 1523 O ASP A 98 -3.114 -13.500 2.358 1.00 0.00 O ATOM 1524 CB ASP A 98 -5.806 -13.661 4.145 1.00 0.00 C ATOM 1525 CG ASP A 98 -5.879 -13.491 5.650 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -5.932 -12.333 6.115 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -5.883 -14.516 6.363 1.00 0.00 O ATOM 0 H ASP A 98 -6.887 -11.632 3.227 1.00 0.00 H new ATOM 0 HA ASP A 98 -4.288 -12.149 4.183 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -6.816 -13.685 3.736 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -5.345 -14.621 3.913 1.00 0.00 H new ATOM 1532 N ASN A 99 -4.941 -13.070 1.119 1.00 0.00 N ATOM 1533 CA ASN A 99 -4.353 -13.549 -0.126 1.00 0.00 C ATOM 1534 C ASN A 99 -3.478 -12.471 -0.756 1.00 0.00 C ATOM 1535 O ASN A 99 -2.495 -12.769 -1.434 1.00 0.00 O ATOM 1536 CB ASN A 99 -5.451 -13.969 -1.105 1.00 0.00 C ATOM 1537 CG ASN A 99 -6.502 -14.848 -0.455 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -6.211 -15.593 0.481 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -7.732 -14.765 -0.949 1.00 0.00 N ATOM 0 H ASN A 99 -5.898 -12.729 1.028 1.00 0.00 H new ATOM 0 HA ASN A 99 -3.731 -14.415 0.100 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -5.929 -13.079 -1.514 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -5.002 -14.503 -1.942 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -8.481 -15.333 -0.552 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -7.928 -14.134 -1.726 1.00 0.00 H new ATOM 1546 N ILE A 100 -3.844 -11.214 -0.523 1.00 0.00 N ATOM 1547 CA ILE A 100 -3.098 -10.082 -1.062 1.00 0.00 C ATOM 1548 C ILE A 100 -1.855 -9.802 -0.229 1.00 0.00 C ATOM 1549 O ILE A 100 -0.731 -9.856 -0.732 1.00 0.00 O ATOM 1550 CB ILE A 100 -3.970 -8.813 -1.095 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -5.148 -9.009 -2.052 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -3.141 -7.595 -1.488 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -4.834 -8.645 -3.485 1.00 0.00 C ATOM 0 H ILE A 100 -4.655 -10.953 0.037 1.00 0.00 H new ATOM 0 HA ILE A 100 -2.802 -10.345 -2.077 1.00 0.00 H new ATOM 0 HB ILE A 100 -4.365 -8.635 -0.095 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -5.467 -10.050 -2.013 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -5.988 -8.405 -1.709 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -3.778 -6.711 -1.505 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -2.340 -7.451 -0.763 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -2.711 -7.751 -2.478 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -5.716 -8.810 -4.104 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.544 -7.596 -3.539 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.015 -9.267 -3.847 1.00 0.00 H new ATOM 1565 N LYS A 101 -2.063 -9.499 1.048 1.00 0.00 N ATOM 1566 CA LYS A 101 -0.959 -9.208 1.951 1.00 0.00 C ATOM 1567 C LYS A 101 0.087 -10.318 1.893 1.00 0.00 C ATOM 1568 O LYS A 101 1.271 -10.086 2.134 1.00 0.00 O ATOM 1569 CB LYS A 101 -1.473 -9.060 3.385 1.00 0.00 C ATOM 1570 CG LYS A 101 -0.376 -8.791 4.404 1.00 0.00 C ATOM 1571 CD LYS A 101 -0.598 -9.579 5.686 1.00 0.00 C ATOM 1572 CE LYS A 101 -1.873 -9.148 6.391 1.00 0.00 C ATOM 1573 NZ LYS A 101 -1.851 -9.492 7.839 1.00 0.00 N ATOM 0 H LYS A 101 -2.986 -9.449 1.479 1.00 0.00 H new ATOM 0 HA LYS A 101 -0.498 -8.272 1.637 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -2.196 -8.245 3.420 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -2.003 -9.970 3.667 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.591 -9.055 3.977 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -0.343 -7.726 4.632 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -0.650 -10.643 5.456 1.00 0.00 H new ATOM 0 HD3 LYS A 101 0.253 -9.439 6.353 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -2.006 -8.072 6.276 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -2.730 -9.627 5.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -2.374 -8.770 8.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -2.297 -10.421 7.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -0.867 -9.526 8.173 1.00 0.00 H new ATOM 1587 N MET A 102 -0.366 -11.527 1.573 1.00 0.00 N ATOM 1588 CA MET A 102 0.521 -12.677 1.483 1.00 0.00 C ATOM 1589 C MET A 102 1.230 -12.713 0.137 1.00 0.00 C ATOM 1590 O MET A 102 2.348 -13.216 0.033 1.00 0.00 O ATOM 1591 CB MET A 102 -0.262 -13.973 1.695 1.00 0.00 C ATOM 1592 CG MET A 102 -0.429 -14.351 3.158 1.00 0.00 C ATOM 1593 SD MET A 102 -0.726 -16.114 3.391 1.00 0.00 S ATOM 1594 CE MET A 102 -1.930 -16.430 2.104 1.00 0.00 C ATOM 0 H MET A 102 -1.344 -11.733 1.372 1.00 0.00 H new ATOM 0 HA MET A 102 1.273 -12.584 2.267 1.00 0.00 H new ATOM 0 HB2 MET A 102 -1.247 -13.871 1.240 1.00 0.00 H new ATOM 0 HB3 MET A 102 0.247 -14.784 1.175 1.00 0.00 H new ATOM 0 HG2 MET A 102 0.466 -14.062 3.708 1.00 0.00 H new ATOM 0 HG3 MET A 102 -1.260 -13.787 3.582 1.00 0.00 H new ATOM 0 HE1 MET A 102 -2.213 -17.482 2.121 1.00 0.00 H new ATOM 0 HE2 MET A 102 -2.813 -15.814 2.273 1.00 0.00 H new ATOM 0 HE3 MET A 102 -1.498 -16.186 1.134 1.00 0.00 H new ATOM 1604 N THR A 103 0.582 -12.179 -0.895 1.00 0.00 N ATOM 1605 CA THR A 103 1.177 -12.164 -2.217 1.00 0.00 C ATOM 1606 C THR A 103 2.137 -10.986 -2.347 1.00 0.00 C ATOM 1607 O THR A 103 3.228 -11.122 -2.899 1.00 0.00 O ATOM 1608 CB THR A 103 0.081 -12.111 -3.287 1.00 0.00 C ATOM 1609 OG1 THR A 103 -0.181 -13.407 -3.795 1.00 0.00 O ATOM 1610 CG2 THR A 103 0.416 -11.221 -4.460 1.00 0.00 C ATOM 0 H THR A 103 -0.345 -11.757 -0.838 1.00 0.00 H new ATOM 0 HA THR A 103 1.748 -13.081 -2.365 1.00 0.00 H new ATOM 0 HB THR A 103 -0.790 -11.694 -2.781 1.00 0.00 H new ATOM 0 HG1 THR A 103 -0.884 -13.356 -4.476 1.00 0.00 H new ATOM 0 HG21 THR A 103 -0.407 -11.235 -5.174 1.00 0.00 H new ATOM 0 HG22 THR A 103 0.575 -10.201 -4.109 1.00 0.00 H new ATOM 0 HG23 THR A 103 1.323 -11.583 -4.944 1.00 0.00 H new ATOM 1618 N LEU A 104 1.734 -9.835 -1.819 1.00 0.00 N ATOM 1619 CA LEU A 104 2.575 -8.646 -1.866 1.00 0.00 C ATOM 1620 C LEU A 104 3.921 -8.938 -1.214 1.00 0.00 C ATOM 1621 O LEU A 104 4.975 -8.712 -1.807 1.00 0.00 O ATOM 1622 CB LEU A 104 1.896 -7.477 -1.149 1.00 0.00 C ATOM 1623 CG LEU A 104 0.554 -7.038 -1.735 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -0.215 -6.190 -0.732 1.00 0.00 C ATOM 1625 CD2 LEU A 104 0.762 -6.266 -3.029 1.00 0.00 C ATOM 0 H LEU A 104 0.835 -9.701 -1.356 1.00 0.00 H new ATOM 0 HA LEU A 104 2.730 -8.372 -2.910 1.00 0.00 H new ATOM 0 HB2 LEU A 104 1.745 -7.752 -0.105 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.574 -6.624 -1.159 1.00 0.00 H new ATOM 0 HG LEU A 104 -0.031 -7.931 -1.955 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.167 -5.887 -1.167 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -0.397 -6.771 0.172 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.368 -5.304 -0.482 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -0.205 -5.962 -3.431 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.367 -5.381 -2.832 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.273 -6.901 -3.753 1.00 0.00 H new ATOM 1637 N GLN A 105 3.866 -9.453 0.010 1.00 0.00 N ATOM 1638 CA GLN A 105 5.069 -9.790 0.762 1.00 0.00 C ATOM 1639 C GLN A 105 5.880 -10.867 0.044 1.00 0.00 C ATOM 1640 O GLN A 105 7.094 -10.741 -0.112 1.00 0.00 O ATOM 1641 CB GLN A 105 4.695 -10.287 2.162 1.00 0.00 C ATOM 1642 CG GLN A 105 4.759 -9.217 3.238 1.00 0.00 C ATOM 1643 CD GLN A 105 6.084 -8.484 3.258 1.00 0.00 C ATOM 1644 OE1 GLN A 105 7.040 -8.884 2.594 1.00 0.00 O ATOM 1645 NE2 GLN A 105 6.146 -7.404 4.026 1.00 0.00 N ATOM 0 H GLN A 105 2.995 -9.647 0.505 1.00 0.00 H new ATOM 0 HA GLN A 105 5.677 -8.889 0.843 1.00 0.00 H new ATOM 0 HB2 GLN A 105 3.686 -10.697 2.132 1.00 0.00 H new ATOM 0 HB3 GLN A 105 5.363 -11.103 2.436 1.00 0.00 H new ATOM 0 HG2 GLN A 105 3.954 -8.499 3.079 1.00 0.00 H new ATOM 0 HG3 GLN A 105 4.588 -9.676 4.212 1.00 0.00 H new ATOM 0 HE21 GLN A 105 5.328 -7.110 4.559 1.00 0.00 H new ATOM 0 HE22 GLN A 105 7.012 -6.868 4.083 1.00 0.00 H new ATOM 1654 N GLN A 106 5.200 -11.934 -0.383 1.00 0.00 N ATOM 1655 CA GLN A 106 5.861 -13.039 -1.076 1.00 0.00 C ATOM 1656 C GLN A 106 6.787 -12.522 -2.170 1.00 0.00 C ATOM 1657 O GLN A 106 7.830 -13.113 -2.449 1.00 0.00 O ATOM 1658 CB GLN A 106 4.821 -13.989 -1.674 1.00 0.00 C ATOM 1659 CG GLN A 106 4.542 -15.208 -0.810 1.00 0.00 C ATOM 1660 CD GLN A 106 4.314 -16.463 -1.629 1.00 0.00 C ATOM 1661 OE1 GLN A 106 5.253 -17.031 -2.187 1.00 0.00 O ATOM 1662 NE2 GLN A 106 3.064 -16.902 -1.704 1.00 0.00 N ATOM 0 H GLN A 106 4.195 -12.055 -0.261 1.00 0.00 H new ATOM 0 HA GLN A 106 6.462 -13.583 -0.348 1.00 0.00 H new ATOM 0 HB2 GLN A 106 3.890 -13.444 -1.830 1.00 0.00 H new ATOM 0 HB3 GLN A 106 5.164 -14.320 -2.654 1.00 0.00 H new ATOM 0 HG2 GLN A 106 5.381 -15.368 -0.132 1.00 0.00 H new ATOM 0 HG3 GLN A 106 3.665 -15.018 -0.192 1.00 0.00 H new ATOM 0 HE21 GLN A 106 2.317 -16.399 -1.225 1.00 0.00 H new ATOM 0 HE22 GLN A 106 2.850 -17.743 -2.241 1.00 0.00 H new ATOM 1671 N ILE A 107 6.396 -11.412 -2.779 1.00 0.00 N ATOM 1672 CA ILE A 107 7.182 -10.799 -3.839 1.00 0.00 C ATOM 1673 C ILE A 107 8.242 -9.873 -3.256 1.00 0.00 C ATOM 1674 O ILE A 107 9.424 -9.983 -3.579 1.00 0.00 O ATOM 1675 CB ILE A 107 6.289 -10.006 -4.807 1.00 0.00 C ATOM 1676 CG1 ILE A 107 5.027 -10.798 -5.158 1.00 0.00 C ATOM 1677 CG2 ILE A 107 7.071 -9.671 -6.057 1.00 0.00 C ATOM 1678 CD1 ILE A 107 3.794 -9.934 -5.307 1.00 0.00 C ATOM 0 H ILE A 107 5.534 -10.915 -2.555 1.00 0.00 H new ATOM 0 HA ILE A 107 7.669 -11.603 -4.390 1.00 0.00 H new ATOM 0 HB ILE A 107 5.977 -9.081 -4.321 1.00 0.00 H new ATOM 0 HG12 ILE A 107 5.195 -11.341 -6.088 1.00 0.00 H new ATOM 0 HG13 ILE A 107 4.848 -11.543 -4.383 1.00 0.00 H new ATOM 0 HG21 ILE A 107 6.437 -9.109 -6.743 1.00 0.00 H new ATOM 0 HG22 ILE A 107 7.941 -9.070 -5.792 1.00 0.00 H new ATOM 0 HG23 ILE A 107 7.399 -10.592 -6.539 1.00 0.00 H new ATOM 0 HD11 ILE A 107 2.938 -10.561 -5.556 1.00 0.00 H new ATOM 0 HD12 ILE A 107 3.601 -9.411 -4.370 1.00 0.00 H new ATOM 0 HD13 ILE A 107 3.954 -9.206 -6.102 1.00 0.00 H new ATOM 1690 N ILE A 108 7.804 -8.965 -2.394 1.00 0.00 N ATOM 1691 CA ILE A 108 8.702 -8.006 -1.744 1.00 0.00 C ATOM 1692 C ILE A 108 9.993 -8.664 -1.296 1.00 0.00 C ATOM 1693 O ILE A 108 11.080 -8.281 -1.719 1.00 0.00 O ATOM 1694 CB ILE A 108 8.043 -7.350 -0.514 1.00 0.00 C ATOM 1695 CG1 ILE A 108 6.672 -6.772 -0.891 1.00 0.00 C ATOM 1696 CG2 ILE A 108 8.963 -6.285 0.073 1.00 0.00 C ATOM 1697 CD1 ILE A 108 6.462 -5.326 -0.489 1.00 0.00 C ATOM 0 H ILE A 108 6.825 -8.868 -2.124 1.00 0.00 H new ATOM 0 HA ILE A 108 8.919 -7.243 -2.492 1.00 0.00 H new ATOM 0 HB ILE A 108 7.883 -8.107 0.253 1.00 0.00 H new ATOM 0 HG12 ILE A 108 6.541 -6.858 -1.970 1.00 0.00 H new ATOM 0 HG13 ILE A 108 5.896 -7.380 -0.426 1.00 0.00 H new ATOM 0 HG21 ILE A 108 8.486 -5.830 0.941 1.00 0.00 H new ATOM 0 HG22 ILE A 108 9.904 -6.744 0.376 1.00 0.00 H new ATOM 0 HG23 ILE A 108 9.158 -5.519 -0.677 1.00 0.00 H new ATOM 0 HD11 ILE A 108 5.467 -5.004 -0.796 1.00 0.00 H new ATOM 0 HD12 ILE A 108 6.557 -5.232 0.593 1.00 0.00 H new ATOM 0 HD13 ILE A 108 7.211 -4.701 -0.975 1.00 0.00 H new ATOM 1709 N SER A 109 9.857 -9.659 -0.440 1.00 0.00 N ATOM 1710 CA SER A 109 11.008 -10.391 0.080 1.00 0.00 C ATOM 1711 C SER A 109 11.968 -10.783 -1.043 1.00 0.00 C ATOM 1712 O SER A 109 13.162 -10.980 -0.813 1.00 0.00 O ATOM 1713 CB SER A 109 10.549 -11.639 0.837 1.00 0.00 C ATOM 1714 OG SER A 109 9.198 -11.950 0.538 1.00 0.00 O ATOM 0 H SER A 109 8.958 -9.984 -0.085 1.00 0.00 H new ATOM 0 HA SER A 109 11.539 -9.733 0.768 1.00 0.00 H new ATOM 0 HB2 SER A 109 11.187 -12.483 0.573 1.00 0.00 H new ATOM 0 HB3 SER A 109 10.660 -11.479 1.909 1.00 0.00 H new ATOM 0 HG SER A 109 8.930 -12.752 1.033 1.00 0.00 H new ATOM 1720 N ARG A 110 11.437 -10.891 -2.254 1.00 0.00 N ATOM 1721 CA ARG A 110 12.241 -11.256 -3.413 1.00 0.00 C ATOM 1722 C ARG A 110 13.116 -10.094 -3.871 1.00 0.00 C ATOM 1723 O ARG A 110 14.159 -10.303 -4.484 1.00 0.00 O ATOM 1724 CB ARG A 110 11.343 -11.721 -4.560 1.00 0.00 C ATOM 1725 CG ARG A 110 10.255 -12.689 -4.128 1.00 0.00 C ATOM 1726 CD ARG A 110 9.404 -13.134 -5.307 1.00 0.00 C ATOM 1727 NE ARG A 110 10.191 -13.852 -6.308 1.00 0.00 N ATOM 1728 CZ ARG A 110 10.566 -15.123 -6.185 1.00 0.00 C ATOM 1729 NH1 ARG A 110 10.229 -15.820 -5.107 1.00 0.00 N ATOM 1730 NH2 ARG A 110 11.279 -15.700 -7.143 1.00 0.00 N ATOM 0 H ARG A 110 10.451 -10.731 -2.459 1.00 0.00 H new ATOM 0 HA ARG A 110 12.895 -12.076 -3.118 1.00 0.00 H new ATOM 0 HB2 ARG A 110 10.879 -10.850 -5.023 1.00 0.00 H new ATOM 0 HB3 ARG A 110 11.959 -12.197 -5.322 1.00 0.00 H new ATOM 0 HG2 ARG A 110 10.709 -13.561 -3.656 1.00 0.00 H new ATOM 0 HG3 ARG A 110 9.621 -12.215 -3.379 1.00 0.00 H new ATOM 0 HD2 ARG A 110 8.598 -13.775 -4.951 1.00 0.00 H new ATOM 0 HD3 ARG A 110 8.939 -12.263 -5.768 1.00 0.00 H new ATOM 0 HE ARG A 110 10.469 -13.349 -7.151 1.00 0.00 H new ATOM 0 HH11 ARG A 110 9.680 -15.382 -4.368 1.00 0.00 H new ATOM 0 HH12 ARG A 110 10.519 -16.794 -5.018 1.00 0.00 H new ATOM 0 HH21 ARG A 110 11.540 -15.170 -7.974 1.00 0.00 H new ATOM 0 HH22 ARG A 110 11.566 -16.674 -7.049 1.00 0.00 H new ATOM 1744 N TYR A 111 12.692 -8.871 -3.567 1.00 0.00 N ATOM 1745 CA TYR A 111 13.457 -7.687 -3.951 1.00 0.00 C ATOM 1746 C TYR A 111 14.653 -7.532 -3.029 1.00 0.00 C ATOM 1747 O TYR A 111 15.726 -7.096 -3.445 1.00 0.00 O ATOM 1748 CB TYR A 111 12.607 -6.410 -3.895 1.00 0.00 C ATOM 1749 CG TYR A 111 11.139 -6.584 -4.230 1.00 0.00 C ATOM 1750 CD1 TYR A 111 10.675 -7.683 -4.947 1.00 0.00 C ATOM 1751 CD2 TYR A 111 10.211 -5.631 -3.821 1.00 0.00 C ATOM 1752 CE1 TYR A 111 9.336 -7.824 -5.242 1.00 0.00 C ATOM 1753 CE2 TYR A 111 8.868 -5.767 -4.114 1.00 0.00 C ATOM 1754 CZ TYR A 111 8.436 -6.865 -4.824 1.00 0.00 C ATOM 1755 OH TYR A 111 7.102 -7.007 -5.115 1.00 0.00 O ATOM 0 H TYR A 111 11.829 -8.673 -3.060 1.00 0.00 H new ATOM 0 HA TYR A 111 13.786 -7.827 -4.981 1.00 0.00 H new ATOM 0 HB2 TYR A 111 12.685 -5.987 -2.893 1.00 0.00 H new ATOM 0 HB3 TYR A 111 13.034 -5.680 -4.583 1.00 0.00 H new ATOM 0 HD1 TYR A 111 11.375 -8.437 -5.277 1.00 0.00 H new ATOM 0 HD2 TYR A 111 10.547 -4.769 -3.264 1.00 0.00 H new ATOM 0 HE1 TYR A 111 8.992 -8.683 -5.799 1.00 0.00 H new ATOM 0 HE2 TYR A 111 8.162 -5.018 -3.789 1.00 0.00 H new ATOM 0 HH TYR A 111 6.589 -7.059 -4.282 1.00 0.00 H new ATOM 1765 N LYS A 112 14.460 -7.915 -1.772 1.00 0.00 N ATOM 1766 CA LYS A 112 15.519 -7.846 -0.781 1.00 0.00 C ATOM 1767 C LYS A 112 16.394 -9.059 -0.957 1.00 0.00 C ATOM 1768 O LYS A 112 17.622 -8.983 -0.961 1.00 0.00 O ATOM 1769 CB LYS A 112 14.982 -7.801 0.655 1.00 0.00 C ATOM 1770 CG LYS A 112 13.505 -8.092 0.761 1.00 0.00 C ATOM 1771 CD LYS A 112 12.705 -6.988 0.118 1.00 0.00 C ATOM 1772 CE LYS A 112 12.793 -5.709 0.917 1.00 0.00 C ATOM 1773 NZ LYS A 112 11.600 -4.840 0.719 1.00 0.00 N ATOM 0 H LYS A 112 13.575 -8.277 -1.417 1.00 0.00 H new ATOM 0 HA LYS A 112 16.078 -6.923 -0.934 1.00 0.00 H new ATOM 0 HB2 LYS A 112 15.530 -8.523 1.261 1.00 0.00 H new ATOM 0 HB3 LYS A 112 15.180 -6.816 1.077 1.00 0.00 H new ATOM 0 HG2 LYS A 112 13.279 -9.042 0.277 1.00 0.00 H new ATOM 0 HG3 LYS A 112 13.222 -8.192 1.809 1.00 0.00 H new ATOM 0 HD2 LYS A 112 13.071 -6.813 -0.894 1.00 0.00 H new ATOM 0 HD3 LYS A 112 11.662 -7.294 0.032 1.00 0.00 H new ATOM 0 HE2 LYS A 112 12.894 -5.950 1.975 1.00 0.00 H new ATOM 0 HE3 LYS A 112 13.691 -5.163 0.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 11.872 -3.844 0.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 11.224 -4.979 -0.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 10.869 -5.089 1.416 1.00 0.00 H new ATOM 1787 N ASP A 113 15.718 -10.181 -1.141 1.00 0.00 N ATOM 1788 CA ASP A 113 16.389 -11.447 -1.366 1.00 0.00 C ATOM 1789 C ASP A 113 17.195 -11.360 -2.650 1.00 0.00 C ATOM 1790 O ASP A 113 18.256 -11.969 -2.781 1.00 0.00 O ATOM 1791 CB ASP A 113 15.374 -12.590 -1.452 1.00 0.00 C ATOM 1792 CG ASP A 113 16.039 -13.944 -1.606 1.00 0.00 C ATOM 1793 OD1 ASP A 113 16.535 -14.480 -0.593 1.00 0.00 O ATOM 1794 OD2 ASP A 113 16.063 -14.468 -2.739 1.00 0.00 O ATOM 0 H ASP A 113 14.700 -10.239 -1.139 1.00 0.00 H new ATOM 0 HA ASP A 113 17.056 -11.653 -0.529 1.00 0.00 H new ATOM 0 HB2 ASP A 113 14.756 -12.592 -0.554 1.00 0.00 H new ATOM 0 HB3 ASP A 113 14.708 -12.417 -2.297 1.00 0.00 H new ATOM 1799 N ALA A 114 16.684 -10.568 -3.589 1.00 0.00 N ATOM 1800 CA ALA A 114 17.353 -10.362 -4.858 1.00 0.00 C ATOM 1801 C ALA A 114 18.258 -9.135 -4.797 1.00 0.00 C ATOM 1802 O ALA A 114 19.156 -8.974 -5.623 1.00 0.00 O ATOM 1803 CB ALA A 114 16.341 -10.221 -5.986 1.00 0.00 C ATOM 0 H ALA A 114 15.806 -10.059 -3.489 1.00 0.00 H new ATOM 0 HA ALA A 114 17.971 -11.237 -5.060 1.00 0.00 H new ATOM 0 HB1 ALA A 114 16.866 -10.067 -6.929 1.00 0.00 H new ATOM 0 HB2 ALA A 114 15.739 -11.127 -6.050 1.00 0.00 H new ATOM 0 HB3 ALA A 114 15.693 -9.367 -5.788 1.00 0.00 H new