USER MOD reduce.3.24.130724 H: found=0, std=0, add=1112, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1105 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 112 MET CE :methyl -105:sc= -0.738 (180deg=-1.58!) USER MOD Set 1.2: A 134 HIS : no HD1:sc= -0.0167 X(o=-0.48,f=-0.73) USER MOD Set 1.3: A 138 TYR OH : rot -152:sc= 0.271 USER MOD Set 2.1: A 85 THR OG1 : rot -145:sc= 2.15 USER MOD Set 2.2: A 98 GLN : amide:sc= -1.86! C(o=0.29!,f=-5.4!) USER MOD Set 3.1: A 69 SER OG : rot -152:sc= -1.17! USER MOD Set 3.2: A 87 HIS : no HD1:sc= 0 X(o=-1.2,f=-1.4) USER MOD Set 4.1: A 29 LYS NZ :NH3+ 169:sc= 1.15 (180deg=0) USER MOD Set 4.2: A 43 TYR OH : rot -129:sc= 1.99 USER MOD Set 5.1: A 14 GLN : amide:sc= 0.983 K(o=1.3,f=-2.6) USER MOD Set 5.2: A 55 TYR OH : rot 11:sc= 0.332 USER MOD Single : A 1 ALA N :NH3+ -171:sc= 0.659 (180deg=0.635) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 12 HIS : no HE2:sc= -0.609 K(o=-0.61,f=-2.8!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= -0.0322 X(o=-0.032,f=0) USER MOD Single : A 30 HIS : no HD1:sc= -0.131 X(o=-0.13,f=-0.14) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= -0.0784 USER MOD Single : A 36 MET CE :methyl 177:sc= -1.6 (180deg=-1.64) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -1.35 K(o=-1.4,f=-0.4) USER MOD Single : A 52 LYS NZ :NH3+ -126:sc= 0.31 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -173:sc= 1.02 (180deg=0.756) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -1.49 K(o=-1.5,f=-0.11) USER MOD Single : A 62 MET CE :methyl 151:sc= -0.144 (180deg=-0.879) USER MOD Single : A 66 SER OG : rot -46:sc= 0.472 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -1.26 K(o=-1.3,f=-1.8) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 SER OG : rot 24:sc= 0.556 USER MOD Single : A 94 SER OG : rot 117:sc= 0.0128 USER MOD Single : A 99 SER OG : rot 180:sc= -0.0109 USER MOD Single : A 102 GLN : amide:sc= -0.334 X(o=-0.33,f=-0.028) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 HIS : no HD1:sc= -0.152 X(o=-0.15,f=-0.019) USER MOD Single : A 113 GLN : amide:sc= -1.28! X(o=-1.3!,f=-1.2) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN : amide:sc= -0.0305 K(o=-0.03,f=-2.4!) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 THR OG1 : rot 86:sc= 1.27 USER MOD Single : A 125 LYS NZ :NH3+ 173:sc= 1.26 (180deg=1.13) USER MOD Single : A 135 MET CE :methyl -108:sc= -0.333 (180deg=-2.87!) USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 THR OG1 : rot 180:sc= 0 USER MOD Single : A 139 SER OG : rot 180:sc= -2.25! USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 27.768 7.996 -6.216 1.00 0.00 N ATOM 2 CA ALA A 1 28.001 7.842 -4.766 1.00 0.00 C ATOM 3 C ALA A 1 29.388 7.275 -4.512 1.00 0.00 C ATOM 4 O ALA A 1 29.991 6.682 -5.409 1.00 0.00 O ATOM 5 CB ALA A 1 26.950 6.950 -4.139 1.00 0.00 C ATOM 0 H1 ALA A 1 26.885 8.522 -6.372 1.00 0.00 H new ATOM 0 H2 ALA A 1 28.561 8.517 -6.642 1.00 0.00 H new ATOM 0 H3 ALA A 1 27.694 7.057 -6.657 1.00 0.00 H new ATOM 0 HA ALA A 1 27.931 8.827 -4.306 1.00 0.00 H new ATOM 0 HB1 ALA A 1 27.145 6.853 -3.071 1.00 0.00 H new ATOM 0 HB2 ALA A 1 25.964 7.389 -4.290 1.00 0.00 H new ATOM 0 HB3 ALA A 1 26.984 5.965 -4.605 1.00 0.00 H new ATOM 13 N GLU A 2 29.895 7.443 -3.297 1.00 0.00 N ATOM 14 CA GLU A 2 31.218 6.949 -2.949 1.00 0.00 C ATOM 15 C GLU A 2 31.152 5.884 -1.863 1.00 0.00 C ATOM 16 O GLU A 2 30.064 5.562 -1.359 1.00 0.00 O ATOM 17 CB GLU A 2 32.131 8.094 -2.538 1.00 0.00 C ATOM 18 CG GLU A 2 31.634 8.917 -1.369 1.00 0.00 C ATOM 19 CD GLU A 2 32.549 10.065 -1.077 1.00 0.00 C ATOM 20 OE1 GLU A 2 32.671 10.966 -1.928 1.00 0.00 O ATOM 21 OE2 GLU A 2 33.155 10.104 0.011 1.00 0.00 O ATOM 0 H GLU A 2 29.408 7.918 -2.537 1.00 0.00 H new ATOM 0 HA GLU A 2 31.639 6.480 -3.838 1.00 0.00 H new ATOM 0 HB2 GLU A 2 33.110 7.686 -2.286 1.00 0.00 H new ATOM 0 HB3 GLU A 2 32.271 8.753 -3.395 1.00 0.00 H new ATOM 0 HG2 GLU A 2 30.635 9.293 -1.587 1.00 0.00 H new ATOM 0 HG3 GLU A 2 31.551 8.283 -0.486 1.00 0.00 H new ATOM 28 N VAL A 3 32.307 5.328 -1.516 1.00 0.00 N ATOM 29 CA VAL A 3 32.389 4.264 -0.524 1.00 0.00 C ATOM 30 C VAL A 3 33.568 4.565 0.396 1.00 0.00 C ATOM 31 O VAL A 3 34.403 5.420 0.079 1.00 0.00 O ATOM 32 CB VAL A 3 32.656 2.869 -1.177 1.00 0.00 C ATOM 33 CG1 VAL A 3 32.141 1.722 -0.309 1.00 0.00 C ATOM 34 CG2 VAL A 3 32.126 2.777 -2.591 1.00 0.00 C ATOM 0 H VAL A 3 33.207 5.600 -1.912 1.00 0.00 H new ATOM 0 HA VAL A 3 31.438 4.226 0.007 1.00 0.00 H new ATOM 0 HB VAL A 3 33.739 2.767 -1.242 1.00 0.00 H new ATOM 0 HG11 VAL A 3 32.348 0.772 -0.801 1.00 0.00 H new ATOM 0 HG12 VAL A 3 32.641 1.745 0.659 1.00 0.00 H new ATOM 0 HG13 VAL A 3 31.066 1.829 -0.165 1.00 0.00 H new ATOM 0 HG21 VAL A 3 32.339 1.788 -2.996 1.00 0.00 H new ATOM 0 HG22 VAL A 3 31.049 2.944 -2.587 1.00 0.00 H new ATOM 0 HG23 VAL A 3 32.608 3.534 -3.210 1.00 0.00 H new ATOM 44 N GLU A 4 33.643 3.854 1.490 1.00 0.00 N ATOM 45 CA GLU A 4 34.710 3.979 2.449 1.00 0.00 C ATOM 46 C GLU A 4 35.502 2.687 2.443 1.00 0.00 C ATOM 47 O GLU A 4 34.902 1.600 2.400 1.00 0.00 O ATOM 48 CB GLU A 4 34.120 4.168 3.839 1.00 0.00 C ATOM 49 CG GLU A 4 33.203 5.361 3.973 1.00 0.00 C ATOM 50 CD GLU A 4 32.502 5.370 5.294 1.00 0.00 C ATOM 51 OE1 GLU A 4 31.464 4.708 5.427 1.00 0.00 O ATOM 52 OE2 GLU A 4 32.965 6.037 6.234 1.00 0.00 O ATOM 0 H GLU A 4 32.946 3.154 1.746 1.00 0.00 H new ATOM 0 HA GLU A 4 35.342 4.830 2.195 1.00 0.00 H new ATOM 0 HB2 GLU A 4 33.567 3.269 4.111 1.00 0.00 H new ATOM 0 HB3 GLU A 4 34.935 4.270 4.555 1.00 0.00 H new ATOM 0 HG2 GLU A 4 33.780 6.279 3.860 1.00 0.00 H new ATOM 0 HG3 GLU A 4 32.467 5.347 3.170 1.00 0.00 H new ATOM 59 N HIS A 5 36.826 2.805 2.479 1.00 0.00 N ATOM 60 CA HIS A 5 37.758 1.661 2.534 1.00 0.00 C ATOM 61 C HIS A 5 37.608 0.739 1.315 1.00 0.00 C ATOM 62 O HIS A 5 36.988 1.094 0.315 1.00 0.00 O ATOM 63 CB HIS A 5 37.544 0.830 3.815 1.00 0.00 C ATOM 64 CG HIS A 5 37.681 1.572 5.110 1.00 0.00 C ATOM 65 ND1 HIS A 5 36.655 1.733 6.020 1.00 0.00 N ATOM 66 CD2 HIS A 5 38.762 2.156 5.663 1.00 0.00 C ATOM 67 CE1 HIS A 5 37.135 2.393 7.073 1.00 0.00 C ATOM 68 NE2 HIS A 5 38.419 2.676 6.908 1.00 0.00 N ATOM 0 H HIS A 5 37.299 3.709 2.471 1.00 0.00 H new ATOM 0 HA HIS A 5 38.763 2.083 2.534 1.00 0.00 H new ATOM 0 HB2 HIS A 5 36.548 0.388 3.776 1.00 0.00 H new ATOM 0 HB3 HIS A 5 38.258 0.007 3.814 1.00 0.00 H new ATOM 0 HD2 HIS A 5 39.741 2.212 5.211 1.00 0.00 H new ATOM 0 HE1 HIS A 5 36.556 2.661 7.944 1.00 0.00 H new ATOM 0 HE2 HIS A 5 39.029 3.172 7.558 1.00 0.00 H new ATOM 76 N TYR A 6 38.215 -0.428 1.399 1.00 0.00 N ATOM 77 CA TYR A 6 38.108 -1.445 0.369 1.00 0.00 C ATOM 78 C TYR A 6 36.949 -2.356 0.727 1.00 0.00 C ATOM 79 O TYR A 6 36.517 -3.210 -0.064 1.00 0.00 O ATOM 80 CB TYR A 6 39.392 -2.270 0.325 1.00 0.00 C ATOM 81 CG TYR A 6 40.648 -1.510 -0.072 1.00 0.00 C ATOM 82 CD1 TYR A 6 41.143 -0.462 0.702 1.00 0.00 C ATOM 83 CD2 TYR A 6 41.332 -1.846 -1.226 1.00 0.00 C ATOM 84 CE1 TYR A 6 42.287 0.223 0.329 1.00 0.00 C ATOM 85 CE2 TYR A 6 42.472 -1.172 -1.604 1.00 0.00 C ATOM 86 CZ TYR A 6 42.949 -0.140 -0.828 1.00 0.00 C ATOM 87 OH TYR A 6 44.084 0.536 -1.219 1.00 0.00 O ATOM 0 H TYR A 6 38.800 -0.700 2.189 1.00 0.00 H new ATOM 0 HA TYR A 6 37.948 -0.978 -0.603 1.00 0.00 H new ATOM 0 HB2 TYR A 6 39.552 -2.712 1.308 1.00 0.00 H new ATOM 0 HB3 TYR A 6 39.250 -3.093 -0.376 1.00 0.00 H new ATOM 0 HD1 TYR A 6 40.626 -0.180 1.607 1.00 0.00 H new ATOM 0 HD2 TYR A 6 40.965 -2.653 -1.843 1.00 0.00 H new ATOM 0 HE1 TYR A 6 42.659 1.034 0.937 1.00 0.00 H new ATOM 0 HE2 TYR A 6 42.991 -1.453 -2.508 1.00 0.00 H new ATOM 0 HH TYR A 6 44.423 0.151 -2.054 1.00 0.00 H new ATOM 97 N GLU A 7 36.475 -2.160 1.938 1.00 0.00 N ATOM 98 CA GLU A 7 35.378 -2.897 2.516 1.00 0.00 C ATOM 99 C GLU A 7 34.072 -2.567 1.768 1.00 0.00 C ATOM 100 O GLU A 7 33.964 -1.504 1.128 1.00 0.00 O ATOM 101 CB GLU A 7 35.200 -2.485 3.992 1.00 0.00 C ATOM 102 CG GLU A 7 36.440 -2.580 4.871 1.00 0.00 C ATOM 103 CD GLU A 7 37.035 -3.954 4.913 1.00 0.00 C ATOM 104 OE1 GLU A 7 36.343 -4.911 5.302 1.00 0.00 O ATOM 105 OE2 GLU A 7 38.235 -4.106 4.572 1.00 0.00 O ATOM 0 H GLU A 7 36.859 -1.456 2.569 1.00 0.00 H new ATOM 0 HA GLU A 7 35.595 -3.962 2.440 1.00 0.00 H new ATOM 0 HB2 GLU A 7 34.839 -1.457 4.020 1.00 0.00 H new ATOM 0 HB3 GLU A 7 34.421 -3.109 4.430 1.00 0.00 H new ATOM 0 HG2 GLU A 7 37.190 -1.878 4.506 1.00 0.00 H new ATOM 0 HG3 GLU A 7 36.182 -2.272 5.884 1.00 0.00 H new ATOM 112 N PRO A 8 33.075 -3.465 1.812 1.00 0.00 N ATOM 113 CA PRO A 8 31.760 -3.197 1.247 1.00 0.00 C ATOM 114 C PRO A 8 30.934 -2.271 2.166 1.00 0.00 C ATOM 115 O PRO A 8 31.442 -1.746 3.166 1.00 0.00 O ATOM 116 CB PRO A 8 31.102 -4.588 1.171 1.00 0.00 C ATOM 117 CG PRO A 8 32.191 -5.556 1.481 1.00 0.00 C ATOM 118 CD PRO A 8 33.146 -4.819 2.360 1.00 0.00 C ATOM 0 HA PRO A 8 31.821 -2.694 0.282 1.00 0.00 H new ATOM 0 HB2 PRO A 8 30.283 -4.675 1.885 1.00 0.00 H new ATOM 0 HB3 PRO A 8 30.683 -4.771 0.182 1.00 0.00 H new ATOM 0 HG2 PRO A 8 31.798 -6.440 1.984 1.00 0.00 H new ATOM 0 HG3 PRO A 8 32.682 -5.899 0.570 1.00 0.00 H new ATOM 0 HD2 PRO A 8 32.846 -4.852 3.407 1.00 0.00 H new ATOM 0 HD3 PRO A 8 34.154 -5.230 2.304 1.00 0.00 H new ATOM 126 N LEU A 9 29.686 -2.089 1.834 1.00 0.00 N ATOM 127 CA LEU A 9 28.805 -1.213 2.582 1.00 0.00 C ATOM 128 C LEU A 9 27.644 -2.028 3.109 1.00 0.00 C ATOM 129 O LEU A 9 26.954 -2.655 2.328 1.00 0.00 O ATOM 130 CB LEU A 9 28.248 -0.112 1.649 1.00 0.00 C ATOM 131 CG LEU A 9 28.120 1.316 2.244 1.00 0.00 C ATOM 132 CD1 LEU A 9 27.107 1.370 3.380 1.00 0.00 C ATOM 133 CD2 LEU A 9 29.475 1.825 2.722 1.00 0.00 C ATOM 0 H LEU A 9 29.242 -2.542 1.035 1.00 0.00 H new ATOM 0 HA LEU A 9 29.358 -0.755 3.402 1.00 0.00 H new ATOM 0 HB2 LEU A 9 28.889 -0.057 0.770 1.00 0.00 H new ATOM 0 HB3 LEU A 9 27.262 -0.426 1.305 1.00 0.00 H new ATOM 0 HG LEU A 9 27.759 1.965 1.447 1.00 0.00 H new ATOM 0 HD11 LEU A 9 27.049 2.387 3.767 1.00 0.00 H new ATOM 0 HD12 LEU A 9 26.128 1.066 3.009 1.00 0.00 H new ATOM 0 HD13 LEU A 9 27.418 0.695 4.177 1.00 0.00 H new ATOM 0 HD21 LEU A 9 29.362 2.827 3.135 1.00 0.00 H new ATOM 0 HD22 LEU A 9 29.864 1.157 3.491 1.00 0.00 H new ATOM 0 HD23 LEU A 9 30.169 1.855 1.882 1.00 0.00 H new ATOM 145 N GLN A 10 27.447 -2.032 4.401 1.00 0.00 N ATOM 146 CA GLN A 10 26.346 -2.742 5.005 1.00 0.00 C ATOM 147 C GLN A 10 25.130 -1.858 5.115 1.00 0.00 C ATOM 148 O GLN A 10 25.090 -0.908 5.913 1.00 0.00 O ATOM 149 CB GLN A 10 26.724 -3.297 6.356 1.00 0.00 C ATOM 150 CG GLN A 10 27.664 -4.458 6.281 1.00 0.00 C ATOM 151 CD GLN A 10 27.978 -5.049 7.621 1.00 0.00 C ATOM 152 OE1 GLN A 10 27.162 -5.006 8.543 1.00 0.00 O ATOM 153 NE2 GLN A 10 29.125 -5.633 7.728 1.00 0.00 N ATOM 0 H GLN A 10 28.045 -1.543 5.067 1.00 0.00 H new ATOM 0 HA GLN A 10 26.101 -3.582 4.355 1.00 0.00 H new ATOM 0 HB2 GLN A 10 27.182 -2.506 6.950 1.00 0.00 H new ATOM 0 HB3 GLN A 10 25.819 -3.605 6.880 1.00 0.00 H new ATOM 0 HG2 GLN A 10 27.230 -5.228 5.644 1.00 0.00 H new ATOM 0 HG3 GLN A 10 28.591 -4.137 5.806 1.00 0.00 H new ATOM 0 HE21 GLN A 10 29.768 -5.643 6.936 1.00 0.00 H new ATOM 0 HE22 GLN A 10 29.388 -6.085 8.604 1.00 0.00 H new ATOM 162 N VAL A 11 24.162 -2.155 4.308 1.00 0.00 N ATOM 163 CA VAL A 11 22.957 -1.377 4.228 1.00 0.00 C ATOM 164 C VAL A 11 21.787 -2.187 4.764 1.00 0.00 C ATOM 165 O VAL A 11 21.616 -3.346 4.391 1.00 0.00 O ATOM 166 CB VAL A 11 22.614 -1.043 2.756 1.00 0.00 C ATOM 167 CG1 VAL A 11 21.628 0.102 2.660 1.00 0.00 C ATOM 168 CG2 VAL A 11 23.853 -0.815 1.900 1.00 0.00 C ATOM 0 H VAL A 11 24.182 -2.955 3.675 1.00 0.00 H new ATOM 0 HA VAL A 11 23.119 -0.466 4.804 1.00 0.00 H new ATOM 0 HB VAL A 11 22.124 -1.924 2.341 1.00 0.00 H new ATOM 0 HG11 VAL A 11 21.411 0.308 1.612 1.00 0.00 H new ATOM 0 HG12 VAL A 11 20.706 -0.168 3.175 1.00 0.00 H new ATOM 0 HG13 VAL A 11 22.056 0.991 3.124 1.00 0.00 H new ATOM 0 HG21 VAL A 11 23.552 -0.585 0.878 1.00 0.00 H new ATOM 0 HG22 VAL A 11 24.427 0.018 2.306 1.00 0.00 H new ATOM 0 HG23 VAL A 11 24.468 -1.715 1.903 1.00 0.00 H new ATOM 178 N HIS A 12 20.998 -1.590 5.611 1.00 0.00 N ATOM 179 CA HIS A 12 19.775 -2.194 6.061 1.00 0.00 C ATOM 180 C HIS A 12 18.670 -1.599 5.208 1.00 0.00 C ATOM 181 O HIS A 12 18.252 -0.467 5.394 1.00 0.00 O ATOM 182 CB HIS A 12 19.537 -1.937 7.566 1.00 0.00 C ATOM 183 CG HIS A 12 18.283 -2.566 8.118 1.00 0.00 C ATOM 184 ND1 HIS A 12 17.323 -1.878 8.829 1.00 0.00 N ATOM 185 CD2 HIS A 12 17.852 -3.851 8.066 1.00 0.00 C ATOM 186 CE1 HIS A 12 16.367 -2.737 9.178 1.00 0.00 C ATOM 187 NE2 HIS A 12 16.635 -3.953 8.740 1.00 0.00 N ATOM 0 H HIS A 12 21.184 -0.670 6.010 1.00 0.00 H new ATOM 0 HA HIS A 12 19.809 -3.278 5.952 1.00 0.00 H new ATOM 0 HB2 HIS A 12 20.393 -2.313 8.126 1.00 0.00 H new ATOM 0 HB3 HIS A 12 19.493 -0.861 7.735 1.00 0.00 H new ATOM 0 HD1 HIS A 12 17.342 -0.882 9.050 1.00 0.00 H new ATOM 0 HD2 HIS A 12 18.369 -4.665 7.580 1.00 0.00 H new ATOM 0 HE1 HIS A 12 15.487 -2.473 9.746 1.00 0.00 H new ATOM 195 N VAL A 13 18.276 -2.355 4.249 1.00 0.00 N ATOM 196 CA VAL A 13 17.367 -1.948 3.217 1.00 0.00 C ATOM 197 C VAL A 13 15.976 -2.405 3.556 1.00 0.00 C ATOM 198 O VAL A 13 15.716 -3.601 3.663 1.00 0.00 O ATOM 199 CB VAL A 13 17.762 -2.620 1.884 1.00 0.00 C ATOM 200 CG1 VAL A 13 17.073 -1.971 0.708 1.00 0.00 C ATOM 201 CG2 VAL A 13 19.264 -2.661 1.698 1.00 0.00 C ATOM 0 H VAL A 13 18.588 -3.321 4.149 1.00 0.00 H new ATOM 0 HA VAL A 13 17.405 -0.862 3.130 1.00 0.00 H new ATOM 0 HB VAL A 13 17.417 -3.653 1.932 1.00 0.00 H new ATOM 0 HG11 VAL A 13 17.376 -2.471 -0.212 1.00 0.00 H new ATOM 0 HG12 VAL A 13 15.993 -2.054 0.828 1.00 0.00 H new ATOM 0 HG13 VAL A 13 17.352 -0.919 0.658 1.00 0.00 H new ATOM 0 HG21 VAL A 13 19.500 -3.141 0.748 1.00 0.00 H new ATOM 0 HG22 VAL A 13 19.659 -1.645 1.699 1.00 0.00 H new ATOM 0 HG23 VAL A 13 19.716 -3.226 2.513 1.00 0.00 H new ATOM 211 N GLN A 14 15.107 -1.481 3.740 1.00 0.00 N ATOM 212 CA GLN A 14 13.742 -1.795 3.946 1.00 0.00 C ATOM 213 C GLN A 14 13.055 -1.726 2.611 1.00 0.00 C ATOM 214 O GLN A 14 13.027 -0.674 1.966 1.00 0.00 O ATOM 215 CB GLN A 14 13.105 -0.860 4.969 1.00 0.00 C ATOM 216 CG GLN A 14 11.618 -1.089 5.187 1.00 0.00 C ATOM 217 CD GLN A 14 11.048 -0.223 6.289 1.00 0.00 C ATOM 218 OE1 GLN A 14 11.733 0.118 7.265 1.00 0.00 O ATOM 219 NE2 GLN A 14 9.816 0.162 6.140 1.00 0.00 N ATOM 0 H GLN A 14 15.322 -0.484 3.752 1.00 0.00 H new ATOM 0 HA GLN A 14 13.640 -2.798 4.360 1.00 0.00 H new ATOM 0 HB2 GLN A 14 13.622 -0.977 5.922 1.00 0.00 H new ATOM 0 HB3 GLN A 14 13.258 0.170 4.647 1.00 0.00 H new ATOM 0 HG2 GLN A 14 11.084 -0.887 4.259 1.00 0.00 H new ATOM 0 HG3 GLN A 14 11.448 -2.138 5.430 1.00 0.00 H new ATOM 0 HE21 GLN A 14 9.283 -0.138 5.324 1.00 0.00 H new ATOM 0 HE22 GLN A 14 9.382 0.765 6.839 1.00 0.00 H new ATOM 228 N LEU A 15 12.586 -2.846 2.169 1.00 0.00 N ATOM 229 CA LEU A 15 11.923 -2.947 0.918 1.00 0.00 C ATOM 230 C LEU A 15 10.440 -3.022 1.166 1.00 0.00 C ATOM 231 O LEU A 15 9.933 -4.028 1.670 1.00 0.00 O ATOM 232 CB LEU A 15 12.402 -4.190 0.157 1.00 0.00 C ATOM 233 CG LEU A 15 13.891 -4.252 -0.197 1.00 0.00 C ATOM 234 CD1 LEU A 15 14.212 -5.554 -0.901 1.00 0.00 C ATOM 235 CD2 LEU A 15 14.300 -3.068 -1.058 1.00 0.00 C ATOM 0 H LEU A 15 12.655 -3.728 2.677 1.00 0.00 H new ATOM 0 HA LEU A 15 12.151 -2.073 0.308 1.00 0.00 H new ATOM 0 HB2 LEU A 15 12.158 -5.069 0.754 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.830 -4.264 -0.768 1.00 0.00 H new ATOM 0 HG LEU A 15 14.461 -4.205 0.731 1.00 0.00 H new ATOM 0 HD11 LEU A 15 15.274 -5.583 -1.146 1.00 0.00 H new ATOM 0 HD12 LEU A 15 13.968 -6.391 -0.247 1.00 0.00 H new ATOM 0 HD13 LEU A 15 13.626 -5.626 -1.817 1.00 0.00 H new ATOM 0 HD21 LEU A 15 15.362 -3.139 -1.293 1.00 0.00 H new ATOM 0 HD22 LEU A 15 13.722 -3.073 -1.982 1.00 0.00 H new ATOM 0 HD23 LEU A 15 14.110 -2.141 -0.517 1.00 0.00 H new ATOM 247 N GLU A 16 9.758 -1.957 0.887 1.00 0.00 N ATOM 248 CA GLU A 16 8.336 -1.934 1.044 1.00 0.00 C ATOM 249 C GLU A 16 7.720 -2.303 -0.269 1.00 0.00 C ATOM 250 O GLU A 16 8.233 -1.940 -1.317 1.00 0.00 O ATOM 251 CB GLU A 16 7.826 -0.554 1.448 1.00 0.00 C ATOM 252 CG GLU A 16 8.382 -0.007 2.741 1.00 0.00 C ATOM 253 CD GLU A 16 7.780 1.339 3.092 1.00 0.00 C ATOM 254 OE1 GLU A 16 7.621 2.196 2.191 1.00 0.00 O ATOM 255 OE2 GLU A 16 7.464 1.569 4.277 1.00 0.00 O ATOM 0 H GLU A 16 10.165 -1.086 0.547 1.00 0.00 H new ATOM 0 HA GLU A 16 8.065 -2.635 1.833 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.058 0.148 0.647 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.740 -0.597 1.529 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.186 -0.713 3.548 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.464 0.090 2.658 1.00 0.00 H new ATOM 262 N LYS A 17 6.665 -3.024 -0.228 1.00 0.00 N ATOM 263 CA LYS A 17 5.955 -3.373 -1.416 1.00 0.00 C ATOM 264 C LYS A 17 4.588 -2.810 -1.282 1.00 0.00 C ATOM 265 O LYS A 17 3.802 -3.340 -0.530 1.00 0.00 O ATOM 266 CB LYS A 17 5.878 -4.894 -1.592 1.00 0.00 C ATOM 267 CG LYS A 17 7.220 -5.579 -1.747 1.00 0.00 C ATOM 268 CD LYS A 17 7.059 -7.081 -1.901 1.00 0.00 C ATOM 269 CE LYS A 17 8.389 -7.760 -2.184 1.00 0.00 C ATOM 270 NZ LYS A 17 8.245 -9.227 -2.292 1.00 0.00 N ATOM 0 H LYS A 17 6.260 -3.395 0.631 1.00 0.00 H new ATOM 0 HA LYS A 17 6.468 -2.974 -2.291 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.364 -5.321 -0.731 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.269 -5.115 -2.468 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.738 -5.176 -2.617 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.842 -5.365 -0.878 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.624 -7.496 -0.992 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.362 -7.292 -2.712 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.808 -7.367 -3.110 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.095 -7.522 -1.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.174 -9.654 -2.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.869 -9.606 -1.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.591 -9.455 -3.068 1.00 0.00 H new ATOM 284 N VAL A 18 4.309 -1.716 -1.950 1.00 0.00 N ATOM 285 CA VAL A 18 3.015 -1.103 -1.813 1.00 0.00 C ATOM 286 C VAL A 18 2.108 -1.678 -2.857 1.00 0.00 C ATOM 287 O VAL A 18 2.368 -1.553 -4.052 1.00 0.00 O ATOM 288 CB VAL A 18 3.077 0.440 -1.932 1.00 0.00 C ATOM 289 CG1 VAL A 18 1.695 1.060 -1.730 1.00 0.00 C ATOM 290 CG2 VAL A 18 4.068 1.014 -0.926 1.00 0.00 C ATOM 0 H VAL A 18 4.951 -1.240 -2.584 1.00 0.00 H new ATOM 0 HA VAL A 18 2.632 -1.317 -0.815 1.00 0.00 H new ATOM 0 HB VAL A 18 3.418 0.688 -2.937 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.766 2.144 -1.818 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.011 0.678 -2.488 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.321 0.801 -0.740 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.099 2.099 -1.024 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.755 0.749 0.084 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.060 0.604 -1.118 1.00 0.00 H new ATOM 300 N TYR A 19 1.092 -2.334 -2.418 1.00 0.00 N ATOM 301 CA TYR A 19 0.183 -2.988 -3.296 1.00 0.00 C ATOM 302 C TYR A 19 -0.955 -2.071 -3.651 1.00 0.00 C ATOM 303 O TYR A 19 -1.158 -1.037 -3.006 1.00 0.00 O ATOM 304 CB TYR A 19 -0.334 -4.255 -2.650 1.00 0.00 C ATOM 305 CG TYR A 19 0.731 -5.296 -2.399 1.00 0.00 C ATOM 306 CD1 TYR A 19 1.579 -5.229 -1.293 1.00 0.00 C ATOM 307 CD2 TYR A 19 0.880 -6.349 -3.267 1.00 0.00 C ATOM 308 CE1 TYR A 19 2.544 -6.201 -1.084 1.00 0.00 C ATOM 309 CE2 TYR A 19 1.834 -7.316 -3.064 1.00 0.00 C ATOM 310 CZ TYR A 19 2.662 -7.242 -1.975 1.00 0.00 C ATOM 311 OH TYR A 19 3.631 -8.212 -1.781 1.00 0.00 O ATOM 0 H TYR A 19 0.865 -2.434 -1.429 1.00 0.00 H new ATOM 0 HA TYR A 19 0.706 -3.252 -4.215 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.808 -4.000 -1.702 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.106 -4.686 -3.287 1.00 0.00 H new ATOM 0 HD1 TYR A 19 1.482 -4.412 -0.593 1.00 0.00 H new ATOM 0 HD2 TYR A 19 0.233 -6.419 -4.129 1.00 0.00 H new ATOM 0 HE1 TYR A 19 3.199 -6.142 -0.227 1.00 0.00 H new ATOM 0 HE2 TYR A 19 1.931 -8.134 -3.762 1.00 0.00 H new ATOM 0 HH TYR A 19 3.578 -8.876 -2.500 1.00 0.00 H new ATOM 321 N LEU A 20 -1.708 -2.465 -4.658 1.00 0.00 N ATOM 322 CA LEU A 20 -2.830 -1.678 -5.163 1.00 0.00 C ATOM 323 C LEU A 20 -3.889 -1.504 -4.103 1.00 0.00 C ATOM 324 O LEU A 20 -4.512 -0.451 -3.995 1.00 0.00 O ATOM 325 CB LEU A 20 -3.480 -2.398 -6.330 1.00 0.00 C ATOM 326 CG LEU A 20 -2.601 -2.732 -7.516 1.00 0.00 C ATOM 327 CD1 LEU A 20 -3.404 -3.539 -8.498 1.00 0.00 C ATOM 328 CD2 LEU A 20 -2.072 -1.468 -8.169 1.00 0.00 C ATOM 0 H LEU A 20 -1.563 -3.343 -5.156 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.438 -0.707 -5.465 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.909 -3.327 -5.956 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.308 -1.785 -6.686 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.741 -3.312 -7.180 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.783 -3.787 -9.359 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.746 -4.457 -8.021 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.266 -2.958 -8.828 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.443 -1.733 -9.019 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.908 -0.859 -8.513 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.485 -0.903 -7.445 1.00 0.00 H new ATOM 340 N ASP A 21 -4.076 -2.548 -3.328 1.00 0.00 N ATOM 341 CA ASP A 21 -5.138 -2.596 -2.330 1.00 0.00 C ATOM 342 C ASP A 21 -4.865 -1.752 -1.092 1.00 0.00 C ATOM 343 O ASP A 21 -5.761 -1.556 -0.271 1.00 0.00 O ATOM 344 CB ASP A 21 -5.459 -4.024 -1.929 1.00 0.00 C ATOM 345 CG ASP A 21 -4.318 -4.719 -1.258 1.00 0.00 C ATOM 346 OD1 ASP A 21 -3.419 -5.209 -1.962 1.00 0.00 O ATOM 347 OD2 ASP A 21 -4.310 -4.802 -0.028 1.00 0.00 O ATOM 0 H ASP A 21 -3.501 -3.390 -3.366 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.006 -2.155 -2.820 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.319 -4.022 -1.259 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.748 -4.587 -2.816 1.00 0.00 H new ATOM 352 N GLY A 22 -3.653 -1.270 -0.931 1.00 0.00 N ATOM 353 CA GLY A 22 -3.392 -0.404 0.179 1.00 0.00 C ATOM 354 C GLY A 22 -2.523 -1.028 1.217 1.00 0.00 C ATOM 355 O GLY A 22 -2.042 -0.329 2.131 1.00 0.00 O ATOM 0 H GLY A 22 -2.857 -1.460 -1.540 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.917 0.508 -0.183 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.338 -0.112 0.634 1.00 0.00 H new ATOM 359 N ASP A 23 -2.341 -2.328 1.133 1.00 0.00 N ATOM 360 CA ASP A 23 -1.438 -2.993 2.034 1.00 0.00 C ATOM 361 C ASP A 23 -0.041 -2.937 1.460 1.00 0.00 C ATOM 362 O ASP A 23 0.150 -2.709 0.254 1.00 0.00 O ATOM 363 CB ASP A 23 -1.868 -4.445 2.362 1.00 0.00 C ATOM 364 CG ASP A 23 -0.950 -5.114 3.387 1.00 0.00 C ATOM 365 OD1 ASP A 23 -0.680 -4.507 4.465 1.00 0.00 O ATOM 366 OD2 ASP A 23 -0.435 -6.220 3.135 1.00 0.00 O ATOM 0 H ASP A 23 -2.803 -2.936 0.457 1.00 0.00 H new ATOM 0 HA ASP A 23 -1.461 -2.467 2.988 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -2.889 -4.440 2.743 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -1.873 -5.034 1.445 1.00 0.00 H new ATOM 371 N VAL A 24 0.913 -3.078 2.306 1.00 0.00 N ATOM 372 CA VAL A 24 2.285 -3.001 1.947 1.00 0.00 C ATOM 373 C VAL A 24 3.086 -3.987 2.760 1.00 0.00 C ATOM 374 O VAL A 24 2.981 -4.035 3.992 1.00 0.00 O ATOM 375 CB VAL A 24 2.826 -1.534 2.056 1.00 0.00 C ATOM 376 CG1 VAL A 24 2.218 -0.838 3.239 1.00 0.00 C ATOM 377 CG2 VAL A 24 4.346 -1.484 2.146 1.00 0.00 C ATOM 0 H VAL A 24 0.758 -3.256 3.298 1.00 0.00 H new ATOM 0 HA VAL A 24 2.394 -3.279 0.899 1.00 0.00 H new ATOM 0 HB VAL A 24 2.535 -1.017 1.142 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.604 0.179 3.300 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.134 -0.809 3.126 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.474 -1.379 4.150 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.672 -0.447 2.220 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.676 -2.032 3.028 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.778 -1.938 1.254 1.00 0.00 H new ATOM 387 N SER A 25 3.815 -4.812 2.076 1.00 0.00 N ATOM 388 CA SER A 25 4.625 -5.805 2.708 1.00 0.00 C ATOM 389 C SER A 25 5.952 -5.165 3.065 1.00 0.00 C ATOM 390 O SER A 25 6.529 -4.428 2.257 1.00 0.00 O ATOM 391 CB SER A 25 4.807 -7.006 1.773 1.00 0.00 C ATOM 392 OG SER A 25 5.382 -8.108 2.443 1.00 0.00 O ATOM 0 H SER A 25 3.865 -4.815 1.057 1.00 0.00 H new ATOM 0 HA SER A 25 4.150 -6.176 3.616 1.00 0.00 H new ATOM 0 HB2 SER A 25 3.841 -7.295 1.360 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.440 -6.720 0.933 1.00 0.00 H new ATOM 0 HG SER A 25 5.482 -8.856 1.817 1.00 0.00 H new ATOM 398 N ILE A 26 6.388 -5.385 4.276 1.00 0.00 N ATOM 399 CA ILE A 26 7.604 -4.798 4.765 1.00 0.00 C ATOM 400 C ILE A 26 8.706 -5.846 4.812 1.00 0.00 C ATOM 401 O ILE A 26 8.615 -6.840 5.551 1.00 0.00 O ATOM 402 CB ILE A 26 7.392 -4.188 6.180 1.00 0.00 C ATOM 403 CG1 ILE A 26 6.279 -3.125 6.166 1.00 0.00 C ATOM 404 CG2 ILE A 26 8.682 -3.600 6.728 1.00 0.00 C ATOM 405 CD1 ILE A 26 6.537 -1.947 5.253 1.00 0.00 C ATOM 0 H ILE A 26 5.908 -5.978 4.953 1.00 0.00 H new ATOM 0 HA ILE A 26 7.897 -3.998 4.085 1.00 0.00 H new ATOM 0 HB ILE A 26 7.082 -4.998 6.840 1.00 0.00 H new ATOM 0 HG12 ILE A 26 5.345 -3.601 5.866 1.00 0.00 H new ATOM 0 HG13 ILE A 26 6.137 -2.755 7.181 1.00 0.00 H new ATOM 0 HG21 ILE A 26 8.500 -3.182 7.718 1.00 0.00 H new ATOM 0 HG22 ILE A 26 9.438 -4.382 6.798 1.00 0.00 H new ATOM 0 HG23 ILE A 26 9.035 -2.813 6.061 1.00 0.00 H new ATOM 0 HD11 ILE A 26 5.699 -1.252 5.310 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.451 -1.440 5.563 1.00 0.00 H new ATOM 0 HD13 ILE A 26 6.647 -2.299 4.227 1.00 0.00 H new ATOM 417 N GLU A 27 9.709 -5.644 4.024 1.00 0.00 N ATOM 418 CA GLU A 27 10.835 -6.520 3.988 1.00 0.00 C ATOM 419 C GLU A 27 12.060 -5.776 4.503 1.00 0.00 C ATOM 420 O GLU A 27 12.182 -4.570 4.314 1.00 0.00 O ATOM 421 CB GLU A 27 11.049 -7.019 2.557 1.00 0.00 C ATOM 422 CG GLU A 27 12.239 -7.933 2.385 1.00 0.00 C ATOM 423 CD GLU A 27 12.122 -9.168 3.227 1.00 0.00 C ATOM 424 OE1 GLU A 27 11.506 -10.153 2.790 1.00 0.00 O ATOM 425 OE2 GLU A 27 12.643 -9.167 4.360 1.00 0.00 O ATOM 0 H GLU A 27 9.772 -4.857 3.379 1.00 0.00 H new ATOM 0 HA GLU A 27 10.662 -7.387 4.626 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.152 -7.546 2.231 1.00 0.00 H new ATOM 0 HB3 GLU A 27 11.170 -6.158 1.899 1.00 0.00 H new ATOM 0 HG2 GLU A 27 12.331 -8.216 1.336 1.00 0.00 H new ATOM 0 HG3 GLU A 27 13.150 -7.397 2.651 1.00 0.00 H new ATOM 432 N HIS A 28 12.943 -6.489 5.150 1.00 0.00 N ATOM 433 CA HIS A 28 14.145 -5.928 5.732 1.00 0.00 C ATOM 434 C HIS A 28 15.335 -6.752 5.324 1.00 0.00 C ATOM 435 O HIS A 28 15.467 -7.917 5.717 1.00 0.00 O ATOM 436 CB HIS A 28 14.082 -5.885 7.265 1.00 0.00 C ATOM 437 CG HIS A 28 13.045 -4.972 7.836 1.00 0.00 C ATOM 438 ND1 HIS A 28 12.383 -5.198 9.019 1.00 0.00 N ATOM 439 CD2 HIS A 28 12.610 -3.789 7.389 1.00 0.00 C ATOM 440 CE1 HIS A 28 11.586 -4.159 9.253 1.00 0.00 C ATOM 441 NE2 HIS A 28 11.686 -3.263 8.289 1.00 0.00 N ATOM 0 H HIS A 28 12.850 -7.495 5.293 1.00 0.00 H new ATOM 0 HA HIS A 28 14.235 -4.906 5.365 1.00 0.00 H new ATOM 0 HB2 HIS A 28 13.897 -6.894 7.633 1.00 0.00 H new ATOM 0 HB3 HIS A 28 15.058 -5.582 7.644 1.00 0.00 H new ATOM 0 HD2 HIS A 28 12.926 -3.315 6.472 1.00 0.00 H new ATOM 0 HE1 HIS A 28 10.944 -4.062 10.116 1.00 0.00 H new ATOM 0 HE2 HIS A 28 11.191 -2.374 8.218 1.00 0.00 H new ATOM 449 N LYS A 29 16.178 -6.177 4.556 1.00 0.00 N ATOM 450 CA LYS A 29 17.359 -6.825 4.107 1.00 0.00 C ATOM 451 C LYS A 29 18.552 -6.145 4.653 1.00 0.00 C ATOM 452 O LYS A 29 18.516 -4.974 4.950 1.00 0.00 O ATOM 453 CB LYS A 29 17.494 -6.797 2.601 1.00 0.00 C ATOM 454 CG LYS A 29 16.500 -7.614 1.829 1.00 0.00 C ATOM 455 CD LYS A 29 17.176 -8.157 0.591 1.00 0.00 C ATOM 456 CE LYS A 29 17.698 -7.056 -0.324 1.00 0.00 C ATOM 457 NZ LYS A 29 18.393 -7.595 -1.516 1.00 0.00 N ATOM 0 H LYS A 29 16.069 -5.223 4.212 1.00 0.00 H new ATOM 0 HA LYS A 29 17.287 -7.857 4.449 1.00 0.00 H new ATOM 0 HB2 LYS A 29 17.416 -5.761 2.270 1.00 0.00 H new ATOM 0 HB3 LYS A 29 18.495 -7.141 2.341 1.00 0.00 H new ATOM 0 HG2 LYS A 29 16.124 -8.432 2.444 1.00 0.00 H new ATOM 0 HG3 LYS A 29 15.641 -7.002 1.553 1.00 0.00 H new ATOM 0 HD2 LYS A 29 18.004 -8.801 0.887 1.00 0.00 H new ATOM 0 HD3 LYS A 29 16.470 -8.778 0.039 1.00 0.00 H new ATOM 0 HE2 LYS A 29 16.866 -6.429 -0.644 1.00 0.00 H new ATOM 0 HE3 LYS A 29 18.382 -6.417 0.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 18.565 -6.826 -2.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 19.301 -8.013 -1.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 17.802 -8.325 -1.962 1.00 0.00 H new ATOM 471 N HIS A 30 19.581 -6.872 4.815 1.00 0.00 N ATOM 472 CA HIS A 30 20.840 -6.292 5.158 1.00 0.00 C ATOM 473 C HIS A 30 21.831 -6.715 4.096 1.00 0.00 C ATOM 474 O HIS A 30 22.157 -7.898 3.979 1.00 0.00 O ATOM 475 CB HIS A 30 21.306 -6.631 6.603 1.00 0.00 C ATOM 476 CG HIS A 30 21.720 -8.059 6.871 1.00 0.00 C ATOM 477 ND1 HIS A 30 23.008 -8.420 7.188 1.00 0.00 N ATOM 478 CD2 HIS A 30 21.006 -9.210 6.851 1.00 0.00 C ATOM 479 CE1 HIS A 30 23.049 -9.733 7.339 1.00 0.00 C ATOM 480 NE2 HIS A 30 21.859 -10.273 7.147 1.00 0.00 N ATOM 0 H HIS A 30 19.590 -7.887 4.717 1.00 0.00 H new ATOM 0 HA HIS A 30 20.752 -5.206 5.174 1.00 0.00 H new ATOM 0 HB2 HIS A 30 22.147 -5.982 6.849 1.00 0.00 H new ATOM 0 HB3 HIS A 30 20.497 -6.378 7.288 1.00 0.00 H new ATOM 0 HD2 HIS A 30 19.950 -9.291 6.640 1.00 0.00 H new ATOM 0 HE1 HIS A 30 23.940 -10.291 7.587 1.00 0.00 H new ATOM 0 HE2 HIS A 30 21.615 -11.262 7.203 1.00 0.00 H new ATOM 488 N GLU A 31 22.265 -5.824 3.279 1.00 0.00 N ATOM 489 CA GLU A 31 23.139 -6.240 2.231 1.00 0.00 C ATOM 490 C GLU A 31 24.400 -5.449 2.182 1.00 0.00 C ATOM 491 O GLU A 31 24.425 -4.273 2.531 1.00 0.00 O ATOM 492 CB GLU A 31 22.430 -6.219 0.893 1.00 0.00 C ATOM 493 CG GLU A 31 22.007 -4.861 0.392 1.00 0.00 C ATOM 494 CD GLU A 31 21.217 -5.001 -0.863 1.00 0.00 C ATOM 495 OE1 GLU A 31 21.815 -5.249 -1.935 1.00 0.00 O ATOM 496 OE2 GLU A 31 19.993 -4.959 -0.802 1.00 0.00 O ATOM 0 H GLU A 31 22.041 -4.829 3.308 1.00 0.00 H new ATOM 0 HA GLU A 31 23.427 -7.267 2.454 1.00 0.00 H new ATOM 0 HB2 GLU A 31 23.086 -6.671 0.149 1.00 0.00 H new ATOM 0 HB3 GLU A 31 21.545 -6.851 0.963 1.00 0.00 H new ATOM 0 HG2 GLU A 31 21.411 -4.354 1.151 1.00 0.00 H new ATOM 0 HG3 GLU A 31 22.886 -4.242 0.211 1.00 0.00 H new ATOM 503 N LYS A 32 25.452 -6.112 1.806 1.00 0.00 N ATOM 504 CA LYS A 32 26.680 -5.463 1.572 1.00 0.00 C ATOM 505 C LYS A 32 26.795 -5.130 0.123 1.00 0.00 C ATOM 506 O LYS A 32 26.538 -5.969 -0.748 1.00 0.00 O ATOM 507 CB LYS A 32 27.869 -6.280 2.007 1.00 0.00 C ATOM 508 CG LYS A 32 28.068 -6.374 3.512 1.00 0.00 C ATOM 509 CD LYS A 32 29.380 -7.082 3.855 1.00 0.00 C ATOM 510 CE LYS A 32 29.514 -8.401 3.113 1.00 0.00 C ATOM 511 NZ LYS A 32 30.765 -9.104 3.441 1.00 0.00 N ATOM 0 H LYS A 32 25.470 -7.121 1.656 1.00 0.00 H new ATOM 0 HA LYS A 32 26.687 -4.555 2.174 1.00 0.00 H new ATOM 0 HB2 LYS A 32 27.765 -7.288 1.606 1.00 0.00 H new ATOM 0 HB3 LYS A 32 28.767 -5.852 1.563 1.00 0.00 H new ATOM 0 HG2 LYS A 32 28.068 -5.373 3.944 1.00 0.00 H new ATOM 0 HG3 LYS A 32 27.233 -6.914 3.959 1.00 0.00 H new ATOM 0 HD2 LYS A 32 30.220 -6.435 3.603 1.00 0.00 H new ATOM 0 HD3 LYS A 32 29.427 -7.262 4.929 1.00 0.00 H new ATOM 0 HE2 LYS A 32 28.666 -9.040 3.358 1.00 0.00 H new ATOM 0 HE3 LYS A 32 29.475 -8.217 2.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 30.810 -9.997 2.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 31.577 -8.507 3.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 30.793 -9.305 4.461 1.00 0.00 H new ATOM 525 N VAL A 33 27.119 -3.921 -0.135 1.00 0.00 N ATOM 526 CA VAL A 33 27.293 -3.446 -1.479 1.00 0.00 C ATOM 527 C VAL A 33 28.722 -2.990 -1.610 1.00 0.00 C ATOM 528 O VAL A 33 29.233 -2.415 -0.694 1.00 0.00 O ATOM 529 CB VAL A 33 26.378 -2.244 -1.744 1.00 0.00 C ATOM 530 CG1 VAL A 33 26.349 -1.938 -3.178 1.00 0.00 C ATOM 531 CG2 VAL A 33 25.006 -2.456 -1.181 1.00 0.00 C ATOM 0 H VAL A 33 27.276 -3.212 0.582 1.00 0.00 H new ATOM 0 HA VAL A 33 27.051 -4.238 -2.188 1.00 0.00 H new ATOM 0 HB VAL A 33 26.788 -1.378 -1.225 1.00 0.00 H new ATOM 0 HG11 VAL A 33 25.696 -1.083 -3.354 1.00 0.00 H new ATOM 0 HG12 VAL A 33 27.357 -1.702 -3.520 1.00 0.00 H new ATOM 0 HG13 VAL A 33 25.972 -2.801 -3.727 1.00 0.00 H new ATOM 0 HG21 VAL A 33 24.388 -1.582 -1.389 1.00 0.00 H new ATOM 0 HG22 VAL A 33 24.556 -3.336 -1.640 1.00 0.00 H new ATOM 0 HG23 VAL A 33 25.074 -2.604 -0.103 1.00 0.00 H new ATOM 541 N PHE A 34 29.371 -3.230 -2.718 1.00 0.00 N ATOM 542 CA PHE A 34 30.748 -2.806 -2.851 1.00 0.00 C ATOM 543 C PHE A 34 30.832 -1.303 -3.050 1.00 0.00 C ATOM 544 O PHE A 34 31.801 -0.664 -2.637 1.00 0.00 O ATOM 545 CB PHE A 34 31.465 -3.561 -3.958 1.00 0.00 C ATOM 546 CG PHE A 34 31.526 -5.042 -3.723 1.00 0.00 C ATOM 547 CD1 PHE A 34 32.016 -5.545 -2.524 1.00 0.00 C ATOM 548 CD2 PHE A 34 31.084 -5.929 -4.685 1.00 0.00 C ATOM 549 CE1 PHE A 34 32.067 -6.905 -2.300 1.00 0.00 C ATOM 550 CE2 PHE A 34 31.134 -7.289 -4.466 1.00 0.00 C ATOM 551 CZ PHE A 34 31.627 -7.780 -3.272 1.00 0.00 C ATOM 0 H PHE A 34 28.982 -3.708 -3.531 1.00 0.00 H new ATOM 0 HA PHE A 34 31.262 -3.048 -1.921 1.00 0.00 H new ATOM 0 HB2 PHE A 34 30.959 -3.371 -4.905 1.00 0.00 H new ATOM 0 HB3 PHE A 34 32.479 -3.173 -4.055 1.00 0.00 H new ATOM 0 HD1 PHE A 34 32.360 -4.864 -1.760 1.00 0.00 H new ATOM 0 HD2 PHE A 34 30.695 -5.553 -5.620 1.00 0.00 H new ATOM 0 HE1 PHE A 34 32.451 -7.285 -1.365 1.00 0.00 H new ATOM 0 HE2 PHE A 34 30.788 -7.971 -5.228 1.00 0.00 H new ATOM 0 HZ PHE A 34 31.668 -8.845 -3.100 1.00 0.00 H new ATOM 561 N SER A 35 29.812 -0.746 -3.662 1.00 0.00 N ATOM 562 CA SER A 35 29.715 0.670 -3.827 1.00 0.00 C ATOM 563 C SER A 35 28.271 1.105 -3.692 1.00 0.00 C ATOM 564 O SER A 35 27.404 0.554 -4.349 1.00 0.00 O ATOM 565 CB SER A 35 30.265 1.102 -5.191 1.00 0.00 C ATOM 566 OG SER A 35 30.156 2.511 -5.345 1.00 0.00 O ATOM 0 H SER A 35 29.031 -1.270 -4.056 1.00 0.00 H new ATOM 0 HA SER A 35 30.312 1.148 -3.051 1.00 0.00 H new ATOM 0 HB2 SER A 35 31.308 0.799 -5.282 1.00 0.00 H new ATOM 0 HB3 SER A 35 29.716 0.599 -5.987 1.00 0.00 H new ATOM 0 HG SER A 35 30.512 2.773 -6.219 1.00 0.00 H new ATOM 572 N MET A 36 28.007 2.120 -2.857 1.00 0.00 N ATOM 573 CA MET A 36 26.632 2.653 -2.694 1.00 0.00 C ATOM 574 C MET A 36 26.068 3.101 -4.002 1.00 0.00 C ATOM 575 O MET A 36 24.888 2.998 -4.238 1.00 0.00 O ATOM 576 CB MET A 36 26.570 3.815 -1.721 1.00 0.00 C ATOM 577 CG MET A 36 26.591 3.412 -0.281 1.00 0.00 C ATOM 578 SD MET A 36 25.140 4.004 0.602 1.00 0.00 S ATOM 579 CE MET A 36 23.848 3.171 -0.302 1.00 0.00 C ATOM 0 H MET A 36 28.712 2.588 -2.288 1.00 0.00 H new ATOM 0 HA MET A 36 26.040 1.830 -2.293 1.00 0.00 H new ATOM 0 HB2 MET A 36 27.412 4.480 -1.913 1.00 0.00 H new ATOM 0 HB3 MET A 36 25.662 4.387 -1.913 1.00 0.00 H new ATOM 0 HG2 MET A 36 26.642 2.326 -0.209 1.00 0.00 H new ATOM 0 HG3 MET A 36 27.490 3.805 0.193 1.00 0.00 H new ATOM 0 HE1 MET A 36 22.884 3.391 0.156 1.00 0.00 H new ATOM 0 HE2 MET A 36 23.846 3.516 -1.336 1.00 0.00 H new ATOM 0 HE3 MET A 36 24.023 2.095 -0.279 1.00 0.00 H new ATOM 589 N ASP A 37 26.944 3.545 -4.848 1.00 0.00 N ATOM 590 CA ASP A 37 26.622 4.024 -6.194 1.00 0.00 C ATOM 591 C ASP A 37 25.902 2.929 -6.971 1.00 0.00 C ATOM 592 O ASP A 37 24.900 3.167 -7.651 1.00 0.00 O ATOM 593 CB ASP A 37 27.926 4.385 -6.895 1.00 0.00 C ATOM 594 CG ASP A 37 27.739 4.946 -8.269 1.00 0.00 C ATOM 595 OD1 ASP A 37 27.583 6.176 -8.386 1.00 0.00 O ATOM 596 OD2 ASP A 37 27.779 4.176 -9.257 1.00 0.00 O ATOM 0 H ASP A 37 27.940 3.594 -4.633 1.00 0.00 H new ATOM 0 HA ASP A 37 25.971 4.897 -6.139 1.00 0.00 H new ATOM 0 HB2 ASP A 37 28.465 5.111 -6.287 1.00 0.00 H new ATOM 0 HB3 ASP A 37 28.552 3.495 -6.958 1.00 0.00 H new ATOM 601 N ASP A 38 26.381 1.721 -6.767 1.00 0.00 N ATOM 602 CA ASP A 38 25.863 0.527 -7.404 1.00 0.00 C ATOM 603 C ASP A 38 24.573 0.110 -6.733 1.00 0.00 C ATOM 604 O ASP A 38 23.658 -0.366 -7.386 1.00 0.00 O ATOM 605 CB ASP A 38 26.889 -0.584 -7.288 1.00 0.00 C ATOM 606 CG ASP A 38 26.463 -1.875 -7.934 1.00 0.00 C ATOM 607 OD1 ASP A 38 26.515 -1.965 -9.176 1.00 0.00 O ATOM 608 OD2 ASP A 38 26.144 -2.839 -7.212 1.00 0.00 O ATOM 0 H ASP A 38 27.162 1.536 -6.137 1.00 0.00 H new ATOM 0 HA ASP A 38 25.664 0.729 -8.457 1.00 0.00 H new ATOM 0 HB2 ASP A 38 27.823 -0.252 -7.742 1.00 0.00 H new ATOM 0 HB3 ASP A 38 27.095 -0.767 -6.233 1.00 0.00 H new ATOM 613 N PHE A 39 24.504 0.313 -5.409 1.00 0.00 N ATOM 614 CA PHE A 39 23.316 0.037 -4.638 1.00 0.00 C ATOM 615 C PHE A 39 22.150 0.860 -5.193 1.00 0.00 C ATOM 616 O PHE A 39 21.046 0.349 -5.419 1.00 0.00 O ATOM 617 CB PHE A 39 23.532 0.436 -3.179 1.00 0.00 C ATOM 618 CG PHE A 39 22.330 0.230 -2.311 1.00 0.00 C ATOM 619 CD1 PHE A 39 22.080 -0.994 -1.732 1.00 0.00 C ATOM 620 CD2 PHE A 39 21.460 1.262 -2.077 1.00 0.00 C ATOM 621 CE1 PHE A 39 20.986 -1.186 -0.930 1.00 0.00 C ATOM 622 CE2 PHE A 39 20.362 1.086 -1.283 1.00 0.00 C ATOM 623 CZ PHE A 39 20.120 -0.138 -0.702 1.00 0.00 C ATOM 0 H PHE A 39 25.281 0.675 -4.856 1.00 0.00 H new ATOM 0 HA PHE A 39 23.097 -1.029 -4.701 1.00 0.00 H new ATOM 0 HB2 PHE A 39 24.364 -0.140 -2.774 1.00 0.00 H new ATOM 0 HB3 PHE A 39 23.822 1.486 -3.138 1.00 0.00 H new ATOM 0 HD1 PHE A 39 22.757 -1.816 -1.913 1.00 0.00 H new ATOM 0 HD2 PHE A 39 21.644 2.227 -2.526 1.00 0.00 H new ATOM 0 HE1 PHE A 39 20.804 -2.151 -0.480 1.00 0.00 H new ATOM 0 HE2 PHE A 39 19.683 1.908 -1.111 1.00 0.00 H new ATOM 0 HZ PHE A 39 19.255 -0.277 -0.070 1.00 0.00 H new ATOM 633 N TRP A 40 22.424 2.152 -5.420 1.00 0.00 N ATOM 634 CA TRP A 40 21.432 3.081 -5.930 1.00 0.00 C ATOM 635 C TRP A 40 20.987 2.664 -7.304 1.00 0.00 C ATOM 636 O TRP A 40 19.819 2.693 -7.615 1.00 0.00 O ATOM 637 CB TRP A 40 21.958 4.536 -5.952 1.00 0.00 C ATOM 638 CG TRP A 40 22.380 5.050 -4.604 1.00 0.00 C ATOM 639 CD1 TRP A 40 23.579 5.609 -4.269 1.00 0.00 C ATOM 640 CD2 TRP A 40 21.611 5.023 -3.408 1.00 0.00 C ATOM 641 NE1 TRP A 40 23.611 5.901 -2.927 1.00 0.00 N ATOM 642 CE2 TRP A 40 22.405 5.564 -2.384 1.00 0.00 C ATOM 643 CE3 TRP A 40 20.326 4.592 -3.102 1.00 0.00 C ATOM 644 CZ2 TRP A 40 21.952 5.675 -1.086 1.00 0.00 C ATOM 645 CZ3 TRP A 40 19.884 4.704 -1.815 1.00 0.00 C ATOM 646 CH2 TRP A 40 20.692 5.237 -0.823 1.00 0.00 C ATOM 0 H TRP A 40 23.339 2.572 -5.253 1.00 0.00 H new ATOM 0 HA TRP A 40 20.578 3.054 -5.253 1.00 0.00 H new ATOM 0 HB2 TRP A 40 22.806 4.596 -6.635 1.00 0.00 H new ATOM 0 HB3 TRP A 40 21.181 5.187 -6.352 1.00 0.00 H new ATOM 0 HD1 TRP A 40 24.388 5.795 -4.960 1.00 0.00 H new ATOM 0 HE1 TRP A 40 24.402 6.302 -2.422 1.00 0.00 H new ATOM 0 HE3 TRP A 40 19.688 4.176 -3.868 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 22.574 6.094 -0.309 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 18.887 4.371 -1.566 1.00 0.00 H new ATOM 0 HH2 TRP A 40 20.311 5.306 0.185 1.00 0.00 H new ATOM 657 N ALA A 41 21.919 2.212 -8.095 1.00 0.00 N ATOM 658 CA ALA A 41 21.620 1.777 -9.446 1.00 0.00 C ATOM 659 C ALA A 41 20.832 0.471 -9.434 1.00 0.00 C ATOM 660 O ALA A 41 20.013 0.225 -10.323 1.00 0.00 O ATOM 661 CB ALA A 41 22.894 1.638 -10.260 1.00 0.00 C ATOM 0 H ALA A 41 22.901 2.132 -7.833 1.00 0.00 H new ATOM 0 HA ALA A 41 20.999 2.538 -9.919 1.00 0.00 H new ATOM 0 HB1 ALA A 41 22.647 1.311 -11.270 1.00 0.00 H new ATOM 0 HB2 ALA A 41 23.404 2.600 -10.305 1.00 0.00 H new ATOM 0 HB3 ALA A 41 23.547 0.903 -9.790 1.00 0.00 H new ATOM 667 N ALA A 42 21.062 -0.340 -8.418 1.00 0.00 N ATOM 668 CA ALA A 42 20.385 -1.607 -8.268 1.00 0.00 C ATOM 669 C ALA A 42 18.895 -1.407 -7.978 1.00 0.00 C ATOM 670 O ALA A 42 18.039 -2.043 -8.600 1.00 0.00 O ATOM 671 CB ALA A 42 21.047 -2.426 -7.167 1.00 0.00 C ATOM 0 H ALA A 42 21.727 -0.134 -7.673 1.00 0.00 H new ATOM 0 HA ALA A 42 20.466 -2.154 -9.207 1.00 0.00 H new ATOM 0 HB1 ALA A 42 20.529 -3.379 -7.062 1.00 0.00 H new ATOM 0 HB2 ALA A 42 22.091 -2.606 -7.425 1.00 0.00 H new ATOM 0 HB3 ALA A 42 20.995 -1.879 -6.226 1.00 0.00 H new ATOM 677 N TYR A 43 18.584 -0.489 -7.075 1.00 0.00 N ATOM 678 CA TYR A 43 17.200 -0.240 -6.674 1.00 0.00 C ATOM 679 C TYR A 43 16.693 1.067 -7.239 1.00 0.00 C ATOM 680 O TYR A 43 15.706 1.604 -6.763 1.00 0.00 O ATOM 681 CB TYR A 43 17.094 -0.230 -5.148 1.00 0.00 C ATOM 682 CG TYR A 43 17.509 -1.537 -4.527 1.00 0.00 C ATOM 683 CD1 TYR A 43 16.592 -2.560 -4.360 1.00 0.00 C ATOM 684 CD2 TYR A 43 18.819 -1.760 -4.139 1.00 0.00 C ATOM 685 CE1 TYR A 43 16.963 -3.768 -3.822 1.00 0.00 C ATOM 686 CE2 TYR A 43 19.201 -2.967 -3.608 1.00 0.00 C ATOM 687 CZ TYR A 43 18.267 -3.967 -3.450 1.00 0.00 C ATOM 688 OH TYR A 43 18.652 -5.183 -2.935 1.00 0.00 O ATOM 0 H TYR A 43 19.271 0.099 -6.603 1.00 0.00 H new ATOM 0 HA TYR A 43 16.580 -1.042 -7.074 1.00 0.00 H new ATOM 0 HB2 TYR A 43 17.718 0.571 -4.750 1.00 0.00 H new ATOM 0 HB3 TYR A 43 16.067 -0.006 -4.861 1.00 0.00 H new ATOM 0 HD1 TYR A 43 15.566 -2.406 -4.658 1.00 0.00 H new ATOM 0 HD2 TYR A 43 19.550 -0.974 -4.256 1.00 0.00 H new ATOM 0 HE1 TYR A 43 16.234 -4.554 -3.693 1.00 0.00 H new ATOM 0 HE2 TYR A 43 20.228 -3.131 -3.316 1.00 0.00 H new ATOM 0 HH TYR A 43 19.139 -5.044 -2.096 1.00 0.00 H new ATOM 698 N ALA A 44 17.374 1.559 -8.270 1.00 0.00 N ATOM 699 CA ALA A 44 17.013 2.787 -8.990 1.00 0.00 C ATOM 700 C ALA A 44 15.526 2.867 -9.380 1.00 0.00 C ATOM 701 O ALA A 44 14.972 3.968 -9.497 1.00 0.00 O ATOM 702 CB ALA A 44 17.876 2.927 -10.229 1.00 0.00 C ATOM 0 H ALA A 44 18.211 1.109 -8.640 1.00 0.00 H new ATOM 0 HA ALA A 44 17.193 3.611 -8.299 1.00 0.00 H new ATOM 0 HB1 ALA A 44 17.605 3.839 -10.760 1.00 0.00 H new ATOM 0 HB2 ALA A 44 18.925 2.975 -9.938 1.00 0.00 H new ATOM 0 HB3 ALA A 44 17.719 2.068 -10.881 1.00 0.00 H new ATOM 708 N GLY A 45 14.907 1.727 -9.613 1.00 0.00 N ATOM 709 CA GLY A 45 13.504 1.697 -9.944 1.00 0.00 C ATOM 710 C GLY A 45 12.620 2.009 -8.744 1.00 0.00 C ATOM 711 O GLY A 45 11.671 2.784 -8.863 1.00 0.00 O ATOM 0 H GLY A 45 15.356 0.812 -9.578 1.00 0.00 H new ATOM 0 HA2 GLY A 45 13.305 2.418 -10.737 1.00 0.00 H new ATOM 0 HA3 GLY A 45 13.246 0.713 -10.336 1.00 0.00 H new ATOM 715 N TRP A 46 12.931 1.381 -7.600 1.00 0.00 N ATOM 716 CA TRP A 46 12.223 1.558 -6.323 1.00 0.00 C ATOM 717 C TRP A 46 12.186 3.042 -5.927 1.00 0.00 C ATOM 718 O TRP A 46 13.093 3.811 -6.273 1.00 0.00 O ATOM 719 CB TRP A 46 12.973 0.800 -5.211 1.00 0.00 C ATOM 720 CG TRP A 46 13.153 -0.670 -5.413 1.00 0.00 C ATOM 721 CD1 TRP A 46 13.902 -1.281 -6.365 1.00 0.00 C ATOM 722 CD2 TRP A 46 12.616 -1.713 -4.605 1.00 0.00 C ATOM 723 NE1 TRP A 46 13.812 -2.629 -6.244 1.00 0.00 N ATOM 724 CE2 TRP A 46 13.039 -2.930 -5.167 1.00 0.00 C ATOM 725 CE3 TRP A 46 11.803 -1.739 -3.477 1.00 0.00 C ATOM 726 CZ2 TRP A 46 12.676 -4.159 -4.643 1.00 0.00 C ATOM 727 CZ3 TRP A 46 11.443 -2.961 -2.954 1.00 0.00 C ATOM 728 CH2 TRP A 46 11.880 -4.154 -3.540 1.00 0.00 C ATOM 0 H TRP A 46 13.703 0.718 -7.536 1.00 0.00 H new ATOM 0 HA TRP A 46 11.208 1.178 -6.443 1.00 0.00 H new ATOM 0 HB2 TRP A 46 13.958 1.252 -5.094 1.00 0.00 H new ATOM 0 HB3 TRP A 46 12.439 0.953 -4.273 1.00 0.00 H new ATOM 0 HD1 TRP A 46 14.487 -0.767 -7.113 1.00 0.00 H new ATOM 0 HE1 TRP A 46 14.254 -3.309 -6.863 1.00 0.00 H new ATOM 0 HE3 TRP A 46 11.462 -0.821 -3.021 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 13.011 -5.083 -5.091 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 10.813 -2.999 -2.077 1.00 0.00 H new ATOM 0 HH2 TRP A 46 11.577 -5.095 -3.105 1.00 0.00 H new ATOM 739 N THR A 47 11.167 3.435 -5.207 1.00 0.00 N ATOM 740 CA THR A 47 11.031 4.774 -4.757 1.00 0.00 C ATOM 741 C THR A 47 11.816 4.949 -3.448 1.00 0.00 C ATOM 742 O THR A 47 11.513 4.278 -2.446 1.00 0.00 O ATOM 743 CB THR A 47 9.539 5.058 -4.513 1.00 0.00 C ATOM 744 OG1 THR A 47 8.784 4.807 -5.724 1.00 0.00 O ATOM 745 CG2 THR A 47 9.318 6.481 -4.042 1.00 0.00 C ATOM 0 H THR A 47 10.406 2.819 -4.920 1.00 0.00 H new ATOM 0 HA THR A 47 11.421 5.467 -5.502 1.00 0.00 H new ATOM 0 HB THR A 47 9.190 4.389 -3.726 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.835 4.988 -5.561 1.00 0.00 H new ATOM 0 HG21 THR A 47 8.253 6.649 -3.879 1.00 0.00 H new ATOM 0 HG22 THR A 47 9.858 6.644 -3.109 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.683 7.176 -4.799 1.00 0.00 H new ATOM 753 N LEU A 48 12.839 5.791 -3.474 1.00 0.00 N ATOM 754 CA LEU A 48 13.631 6.080 -2.297 1.00 0.00 C ATOM 755 C LEU A 48 12.806 6.957 -1.390 1.00 0.00 C ATOM 756 O LEU A 48 12.421 8.070 -1.758 1.00 0.00 O ATOM 757 CB LEU A 48 14.983 6.744 -2.701 1.00 0.00 C ATOM 758 CG LEU A 48 16.069 7.013 -1.604 1.00 0.00 C ATOM 759 CD1 LEU A 48 15.756 8.204 -0.717 1.00 0.00 C ATOM 760 CD2 LEU A 48 16.300 5.790 -0.741 1.00 0.00 C ATOM 0 H LEU A 48 13.139 6.290 -4.312 1.00 0.00 H new ATOM 0 HA LEU A 48 13.889 5.165 -1.764 1.00 0.00 H new ATOM 0 HB2 LEU A 48 15.440 6.116 -3.466 1.00 0.00 H new ATOM 0 HB3 LEU A 48 14.750 7.699 -3.171 1.00 0.00 H new ATOM 0 HG LEU A 48 16.978 7.250 -2.157 1.00 0.00 H new ATOM 0 HD11 LEU A 48 16.551 8.329 0.018 1.00 0.00 H new ATOM 0 HD12 LEU A 48 15.682 9.103 -1.328 1.00 0.00 H new ATOM 0 HD13 LEU A 48 14.810 8.036 -0.203 1.00 0.00 H new ATOM 0 HD21 LEU A 48 17.059 6.012 0.009 1.00 0.00 H new ATOM 0 HD22 LEU A 48 15.370 5.514 -0.245 1.00 0.00 H new ATOM 0 HD23 LEU A 48 16.638 4.963 -1.365 1.00 0.00 H new ATOM 772 N VAL A 49 12.491 6.438 -0.247 1.00 0.00 N ATOM 773 CA VAL A 49 11.678 7.142 0.695 1.00 0.00 C ATOM 774 C VAL A 49 12.560 7.868 1.698 1.00 0.00 C ATOM 775 O VAL A 49 12.430 9.079 1.892 1.00 0.00 O ATOM 776 CB VAL A 49 10.685 6.180 1.394 1.00 0.00 C ATOM 777 CG1 VAL A 49 9.805 6.907 2.393 1.00 0.00 C ATOM 778 CG2 VAL A 49 9.834 5.500 0.349 1.00 0.00 C ATOM 0 H VAL A 49 12.790 5.513 0.061 1.00 0.00 H new ATOM 0 HA VAL A 49 11.083 7.886 0.166 1.00 0.00 H new ATOM 0 HB VAL A 49 11.260 5.438 1.948 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.123 6.197 2.861 1.00 0.00 H new ATOM 0 HG12 VAL A 49 10.429 7.370 3.158 1.00 0.00 H new ATOM 0 HG13 VAL A 49 9.230 7.677 1.879 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.133 4.822 0.836 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.280 6.251 -0.214 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.473 4.936 -0.330 1.00 0.00 H new ATOM 788 N GLU A 50 13.483 7.157 2.294 1.00 0.00 N ATOM 789 CA GLU A 50 14.397 7.763 3.240 1.00 0.00 C ATOM 790 C GLU A 50 15.660 6.973 3.273 1.00 0.00 C ATOM 791 O GLU A 50 15.660 5.797 2.945 1.00 0.00 O ATOM 792 CB GLU A 50 13.789 7.853 4.657 1.00 0.00 C ATOM 793 CG GLU A 50 13.369 6.536 5.243 1.00 0.00 C ATOM 794 CD GLU A 50 12.744 6.669 6.611 1.00 0.00 C ATOM 795 OE1 GLU A 50 11.502 6.852 6.700 1.00 0.00 O ATOM 796 OE2 GLU A 50 13.463 6.567 7.624 1.00 0.00 O ATOM 0 H GLU A 50 13.625 6.158 2.144 1.00 0.00 H new ATOM 0 HA GLU A 50 14.600 8.783 2.912 1.00 0.00 H new ATOM 0 HB2 GLU A 50 14.518 8.315 5.322 1.00 0.00 H new ATOM 0 HB3 GLU A 50 12.923 8.514 4.625 1.00 0.00 H new ATOM 0 HG2 GLU A 50 12.658 6.056 4.570 1.00 0.00 H new ATOM 0 HG3 GLU A 50 14.238 5.881 5.309 1.00 0.00 H new ATOM 803 N GLN A 51 16.728 7.614 3.581 1.00 0.00 N ATOM 804 CA GLN A 51 17.972 6.953 3.750 1.00 0.00 C ATOM 805 C GLN A 51 18.792 7.587 4.836 1.00 0.00 C ATOM 806 O GLN A 51 18.717 8.791 5.084 1.00 0.00 O ATOM 807 CB GLN A 51 18.767 6.931 2.472 1.00 0.00 C ATOM 808 CG GLN A 51 19.101 8.291 1.902 1.00 0.00 C ATOM 809 CD GLN A 51 20.043 8.151 0.764 1.00 0.00 C ATOM 810 OE1 GLN A 51 21.256 8.191 0.929 1.00 0.00 O ATOM 811 NE2 GLN A 51 19.512 7.925 -0.382 1.00 0.00 N ATOM 0 H GLN A 51 16.765 8.623 3.725 1.00 0.00 H new ATOM 0 HA GLN A 51 17.740 5.927 4.037 1.00 0.00 H new ATOM 0 HB2 GLN A 51 19.697 6.390 2.650 1.00 0.00 H new ATOM 0 HB3 GLN A 51 18.209 6.368 1.724 1.00 0.00 H new ATOM 0 HG2 GLN A 51 18.190 8.788 1.570 1.00 0.00 H new ATOM 0 HG3 GLN A 51 19.544 8.919 2.675 1.00 0.00 H new ATOM 0 HE21 GLN A 51 18.497 7.900 -0.478 1.00 0.00 H new ATOM 0 HE22 GLN A 51 20.105 7.771 -1.197 1.00 0.00 H new ATOM 820 N LYS A 52 19.523 6.766 5.488 1.00 0.00 N ATOM 821 CA LYS A 52 20.475 7.128 6.474 1.00 0.00 C ATOM 822 C LYS A 52 21.644 6.162 6.326 1.00 0.00 C ATOM 823 O LYS A 52 21.503 5.167 5.626 1.00 0.00 O ATOM 824 CB LYS A 52 19.805 7.165 7.861 1.00 0.00 C ATOM 825 CG LYS A 52 18.898 5.976 8.161 1.00 0.00 C ATOM 826 CD LYS A 52 17.834 6.317 9.188 1.00 0.00 C ATOM 827 CE LYS A 52 16.771 7.190 8.548 1.00 0.00 C ATOM 828 NZ LYS A 52 15.698 7.574 9.479 1.00 0.00 N ATOM 0 H LYS A 52 19.472 5.758 5.340 1.00 0.00 H new ATOM 0 HA LYS A 52 20.870 8.136 6.349 1.00 0.00 H new ATOM 0 HB2 LYS A 52 20.582 7.214 8.624 1.00 0.00 H new ATOM 0 HB3 LYS A 52 19.220 8.081 7.943 1.00 0.00 H new ATOM 0 HG2 LYS A 52 18.419 5.644 7.240 1.00 0.00 H new ATOM 0 HG3 LYS A 52 19.500 5.144 8.526 1.00 0.00 H new ATOM 0 HD2 LYS A 52 17.383 5.404 9.577 1.00 0.00 H new ATOM 0 HD3 LYS A 52 18.284 6.836 10.034 1.00 0.00 H new ATOM 0 HE2 LYS A 52 17.240 8.091 8.153 1.00 0.00 H new ATOM 0 HE3 LYS A 52 16.336 6.659 7.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 14.777 7.313 9.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 15.831 7.080 10.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 15.728 8.601 9.638 1.00 0.00 H new ATOM 842 N LYS A 53 22.763 6.427 6.963 1.00 0.00 N ATOM 843 CA LYS A 53 24.016 5.703 6.658 1.00 0.00 C ATOM 844 C LYS A 53 23.962 4.185 6.886 1.00 0.00 C ATOM 845 O LYS A 53 24.695 3.407 6.249 1.00 0.00 O ATOM 846 CB LYS A 53 25.217 6.360 7.358 1.00 0.00 C ATOM 847 CG LYS A 53 26.567 5.772 6.979 1.00 0.00 C ATOM 848 CD LYS A 53 26.776 5.818 5.469 1.00 0.00 C ATOM 849 CE LYS A 53 28.110 5.233 5.072 1.00 0.00 C ATOM 850 NZ LYS A 53 29.225 6.001 5.637 1.00 0.00 N ATOM 0 H LYS A 53 22.850 7.132 7.695 1.00 0.00 H new ATOM 0 HA LYS A 53 24.151 5.798 5.581 1.00 0.00 H new ATOM 0 HB2 LYS A 53 25.220 7.425 7.124 1.00 0.00 H new ATOM 0 HB3 LYS A 53 25.086 6.271 8.436 1.00 0.00 H new ATOM 0 HG2 LYS A 53 27.362 6.326 7.477 1.00 0.00 H new ATOM 0 HG3 LYS A 53 26.630 4.741 7.328 1.00 0.00 H new ATOM 0 HD2 LYS A 53 25.976 5.268 4.974 1.00 0.00 H new ATOM 0 HD3 LYS A 53 26.714 6.850 5.124 1.00 0.00 H new ATOM 0 HE2 LYS A 53 28.170 4.199 5.412 1.00 0.00 H new ATOM 0 HE3 LYS A 53 28.192 5.217 3.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 30.123 5.646 5.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 29.115 7.005 5.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 29.229 5.897 6.672 1.00 0.00 H new ATOM 864 N GLY A 54 23.125 3.778 7.744 1.00 0.00 N ATOM 865 CA GLY A 54 23.009 2.379 8.020 1.00 0.00 C ATOM 866 C GLY A 54 21.786 1.752 7.411 1.00 0.00 C ATOM 867 O GLY A 54 21.761 0.557 7.172 1.00 0.00 O ATOM 0 H GLY A 54 22.499 4.380 8.279 1.00 0.00 H new ATOM 0 HA2 GLY A 54 23.896 1.867 7.646 1.00 0.00 H new ATOM 0 HA3 GLY A 54 22.986 2.229 9.099 1.00 0.00 H new ATOM 871 N TYR A 55 20.798 2.547 7.111 1.00 0.00 N ATOM 872 CA TYR A 55 19.534 2.041 6.690 1.00 0.00 C ATOM 873 C TYR A 55 18.957 2.850 5.535 1.00 0.00 C ATOM 874 O TYR A 55 18.951 4.065 5.563 1.00 0.00 O ATOM 875 CB TYR A 55 18.626 2.056 7.920 1.00 0.00 C ATOM 876 CG TYR A 55 17.151 2.136 7.660 1.00 0.00 C ATOM 877 CD1 TYR A 55 16.369 1.016 7.482 1.00 0.00 C ATOM 878 CD2 TYR A 55 16.553 3.365 7.623 1.00 0.00 C ATOM 879 CE1 TYR A 55 15.014 1.137 7.271 1.00 0.00 C ATOM 880 CE2 TYR A 55 15.219 3.508 7.410 1.00 0.00 C ATOM 881 CZ TYR A 55 14.442 2.389 7.234 1.00 0.00 C ATOM 882 OH TYR A 55 13.084 2.522 7.046 1.00 0.00 O ATOM 0 H TYR A 55 20.852 3.565 7.153 1.00 0.00 H new ATOM 0 HA TYR A 55 19.631 1.027 6.303 1.00 0.00 H new ATOM 0 HB2 TYR A 55 18.822 1.154 8.500 1.00 0.00 H new ATOM 0 HB3 TYR A 55 18.909 2.904 8.543 1.00 0.00 H new ATOM 0 HD1 TYR A 55 16.822 0.036 7.508 1.00 0.00 H new ATOM 0 HD2 TYR A 55 17.159 4.247 7.767 1.00 0.00 H new ATOM 0 HE1 TYR A 55 14.404 0.256 7.135 1.00 0.00 H new ATOM 0 HE2 TYR A 55 14.774 4.492 7.379 1.00 0.00 H new ATOM 0 HH TYR A 55 12.655 1.645 7.131 1.00 0.00 H new ATOM 892 N VAL A 56 18.452 2.170 4.557 1.00 0.00 N ATOM 893 CA VAL A 56 17.848 2.797 3.416 1.00 0.00 C ATOM 894 C VAL A 56 16.462 2.207 3.207 1.00 0.00 C ATOM 895 O VAL A 56 16.285 0.998 3.254 1.00 0.00 O ATOM 896 CB VAL A 56 18.711 2.635 2.124 1.00 0.00 C ATOM 897 CG1 VAL A 56 17.970 3.172 0.925 1.00 0.00 C ATOM 898 CG2 VAL A 56 20.033 3.375 2.260 1.00 0.00 C ATOM 0 H VAL A 56 18.445 1.151 4.523 1.00 0.00 H new ATOM 0 HA VAL A 56 17.777 3.867 3.611 1.00 0.00 H new ATOM 0 HB VAL A 56 18.907 1.572 1.987 1.00 0.00 H new ATOM 0 HG11 VAL A 56 18.585 3.052 0.033 1.00 0.00 H new ATOM 0 HG12 VAL A 56 17.036 2.624 0.799 1.00 0.00 H new ATOM 0 HG13 VAL A 56 17.752 4.229 1.075 1.00 0.00 H new ATOM 0 HG21 VAL A 56 20.617 3.248 1.348 1.00 0.00 H new ATOM 0 HG22 VAL A 56 19.841 4.436 2.423 1.00 0.00 H new ATOM 0 HG23 VAL A 56 20.590 2.973 3.106 1.00 0.00 H new ATOM 908 N LEU A 57 15.503 3.054 3.015 1.00 0.00 N ATOM 909 CA LEU A 57 14.149 2.650 2.813 1.00 0.00 C ATOM 910 C LEU A 57 13.678 2.951 1.389 1.00 0.00 C ATOM 911 O LEU A 57 13.596 4.132 0.960 1.00 0.00 O ATOM 912 CB LEU A 57 13.250 3.278 3.899 1.00 0.00 C ATOM 913 CG LEU A 57 11.738 3.351 3.644 1.00 0.00 C ATOM 914 CD1 LEU A 57 11.157 2.070 3.197 1.00 0.00 C ATOM 915 CD2 LEU A 57 10.987 3.877 4.843 1.00 0.00 C ATOM 0 H LEU A 57 15.641 4.064 2.994 1.00 0.00 H new ATOM 0 HA LEU A 57 14.078 1.567 2.918 1.00 0.00 H new ATOM 0 HB2 LEU A 57 13.404 2.719 4.822 1.00 0.00 H new ATOM 0 HB3 LEU A 57 13.606 4.293 4.078 1.00 0.00 H new ATOM 0 HG LEU A 57 11.621 4.059 2.823 1.00 0.00 H new ATOM 0 HD11 LEU A 57 10.086 2.193 3.035 1.00 0.00 H new ATOM 0 HD12 LEU A 57 11.631 1.761 2.266 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.324 1.309 3.959 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.921 3.912 4.618 1.00 0.00 H new ATOM 0 HD22 LEU A 57 11.157 3.220 5.696 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.340 4.880 5.082 1.00 0.00 H new ATOM 927 N PHE A 58 13.396 1.873 0.678 1.00 0.00 N ATOM 928 CA PHE A 58 12.866 1.886 -0.678 1.00 0.00 C ATOM 929 C PHE A 58 11.509 1.215 -0.727 1.00 0.00 C ATOM 930 O PHE A 58 11.242 0.271 0.007 1.00 0.00 O ATOM 931 CB PHE A 58 13.785 1.127 -1.642 1.00 0.00 C ATOM 932 CG PHE A 58 14.889 1.912 -2.272 1.00 0.00 C ATOM 933 CD1 PHE A 58 14.610 2.762 -3.316 1.00 0.00 C ATOM 934 CD2 PHE A 58 16.192 1.777 -1.863 1.00 0.00 C ATOM 935 CE1 PHE A 58 15.600 3.475 -3.941 1.00 0.00 C ATOM 936 CE2 PHE A 58 17.195 2.488 -2.491 1.00 0.00 C ATOM 937 CZ PHE A 58 16.895 3.340 -3.530 1.00 0.00 C ATOM 0 H PHE A 58 13.534 0.930 1.041 1.00 0.00 H new ATOM 0 HA PHE A 58 12.791 2.932 -0.976 1.00 0.00 H new ATOM 0 HB2 PHE A 58 14.227 0.290 -1.102 1.00 0.00 H new ATOM 0 HB3 PHE A 58 13.170 0.705 -2.437 1.00 0.00 H new ATOM 0 HD1 PHE A 58 13.589 2.870 -3.651 1.00 0.00 H new ATOM 0 HD2 PHE A 58 16.434 1.112 -1.047 1.00 0.00 H new ATOM 0 HE1 PHE A 58 15.357 4.141 -4.756 1.00 0.00 H new ATOM 0 HE2 PHE A 58 18.219 2.375 -2.166 1.00 0.00 H new ATOM 0 HZ PHE A 58 17.680 3.899 -4.018 1.00 0.00 H new ATOM 947 N ARG A 59 10.661 1.689 -1.584 1.00 0.00 N ATOM 948 CA ARG A 59 9.401 1.044 -1.788 1.00 0.00 C ATOM 949 C ARG A 59 9.186 0.761 -3.243 1.00 0.00 C ATOM 950 O ARG A 59 9.529 1.563 -4.109 1.00 0.00 O ATOM 951 CB ARG A 59 8.230 1.841 -1.226 1.00 0.00 C ATOM 952 CG ARG A 59 8.009 3.186 -1.867 1.00 0.00 C ATOM 953 CD ARG A 59 6.841 3.900 -1.243 1.00 0.00 C ATOM 954 NE ARG A 59 6.961 3.951 0.223 1.00 0.00 N ATOM 955 CZ ARG A 59 6.459 4.892 1.027 1.00 0.00 C ATOM 956 NH1 ARG A 59 5.752 5.900 0.534 1.00 0.00 N ATOM 957 NH2 ARG A 59 6.657 4.790 2.330 1.00 0.00 N ATOM 0 H ARG A 59 10.817 2.520 -2.154 1.00 0.00 H new ATOM 0 HA ARG A 59 9.438 0.104 -1.237 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.321 1.249 -1.336 1.00 0.00 H new ATOM 0 HB3 ARG A 59 8.388 1.986 -0.157 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.908 3.794 -1.763 1.00 0.00 H new ATOM 0 HG3 ARG A 59 7.832 3.058 -2.935 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.779 4.913 -1.640 1.00 0.00 H new ATOM 0 HD3 ARG A 59 5.915 3.393 -1.516 1.00 0.00 H new ATOM 0 HE ARG A 59 7.478 3.193 0.669 1.00 0.00 H new ATOM 0 HH11 ARG A 59 5.586 5.963 -0.470 1.00 0.00 H new ATOM 0 HH12 ARG A 59 5.374 6.612 1.159 1.00 0.00 H new ATOM 0 HH21 ARG A 59 7.185 4.002 2.705 1.00 0.00 H new ATOM 0 HH22 ARG A 59 6.281 5.499 2.960 1.00 0.00 H new ATOM 971 N LYS A 60 8.649 -0.358 -3.499 1.00 0.00 N ATOM 972 CA LYS A 60 8.308 -0.782 -4.815 1.00 0.00 C ATOM 973 C LYS A 60 6.842 -1.030 -4.808 1.00 0.00 C ATOM 974 O LYS A 60 6.310 -1.600 -3.867 1.00 0.00 O ATOM 975 CB LYS A 60 9.096 -2.043 -5.178 1.00 0.00 C ATOM 976 CG LYS A 60 8.781 -2.700 -6.504 1.00 0.00 C ATOM 977 CD LYS A 60 9.269 -1.885 -7.675 1.00 0.00 C ATOM 978 CE LYS A 60 10.780 -1.742 -7.693 1.00 0.00 C ATOM 979 NZ LYS A 60 11.225 -1.110 -8.937 1.00 0.00 N ATOM 0 H LYS A 60 8.420 -1.042 -2.778 1.00 0.00 H new ATOM 0 HA LYS A 60 8.559 -0.031 -5.564 1.00 0.00 H new ATOM 0 HB2 LYS A 60 10.157 -1.792 -5.169 1.00 0.00 H new ATOM 0 HB3 LYS A 60 8.936 -2.779 -4.390 1.00 0.00 H new ATOM 0 HG2 LYS A 60 9.239 -3.688 -6.536 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.704 -2.845 -6.589 1.00 0.00 H new ATOM 0 HD2 LYS A 60 8.940 -2.354 -8.602 1.00 0.00 H new ATOM 0 HD3 LYS A 60 8.814 -0.895 -7.640 1.00 0.00 H new ATOM 0 HE2 LYS A 60 11.104 -1.146 -6.840 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.244 -2.723 -7.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 12.261 -1.021 -8.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.933 -1.694 -9.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 10.797 -0.166 -9.019 1.00 0.00 H new ATOM 993 N GLN A 61 6.188 -0.556 -5.794 1.00 0.00 N ATOM 994 CA GLN A 61 4.773 -0.648 -5.836 1.00 0.00 C ATOM 995 C GLN A 61 4.410 -1.780 -6.755 1.00 0.00 C ATOM 996 O GLN A 61 4.963 -1.904 -7.852 1.00 0.00 O ATOM 997 CB GLN A 61 4.206 0.698 -6.249 1.00 0.00 C ATOM 998 CG GLN A 61 5.056 1.825 -5.659 1.00 0.00 C ATOM 999 CD GLN A 61 4.305 2.942 -5.043 1.00 0.00 C ATOM 1000 OE1 GLN A 61 3.919 3.901 -5.692 1.00 0.00 O ATOM 1001 NE2 GLN A 61 4.187 2.870 -3.766 1.00 0.00 N ATOM 0 H GLN A 61 6.612 -0.092 -6.598 1.00 0.00 H new ATOM 0 HA GLN A 61 4.337 -0.874 -4.863 1.00 0.00 H new ATOM 0 HB2 GLN A 61 4.187 0.776 -7.336 1.00 0.00 H new ATOM 0 HB3 GLN A 61 3.176 0.789 -5.905 1.00 0.00 H new ATOM 0 HG2 GLN A 61 5.719 1.399 -4.906 1.00 0.00 H new ATOM 0 HG3 GLN A 61 5.689 2.229 -6.449 1.00 0.00 H new ATOM 0 HE21 GLN A 61 4.526 2.047 -3.268 1.00 0.00 H new ATOM 0 HE22 GLN A 61 3.755 3.636 -3.250 1.00 0.00 H new ATOM 1010 N MET A 62 3.539 -2.616 -6.295 1.00 0.00 N ATOM 1011 CA MET A 62 3.258 -3.854 -6.961 1.00 0.00 C ATOM 1012 C MET A 62 2.122 -3.680 -7.951 1.00 0.00 C ATOM 1013 O MET A 62 1.227 -2.861 -7.740 1.00 0.00 O ATOM 1014 CB MET A 62 2.916 -4.920 -5.923 1.00 0.00 C ATOM 1015 CG MET A 62 3.063 -6.347 -6.416 1.00 0.00 C ATOM 1016 SD MET A 62 4.772 -6.747 -6.883 1.00 0.00 S ATOM 1017 CE MET A 62 5.647 -6.456 -5.344 1.00 0.00 C ATOM 0 H MET A 62 2.998 -2.463 -5.444 1.00 0.00 H new ATOM 0 HA MET A 62 4.139 -4.172 -7.519 1.00 0.00 H new ATOM 0 HB2 MET A 62 3.558 -4.781 -5.053 1.00 0.00 H new ATOM 0 HB3 MET A 62 1.890 -4.768 -5.589 1.00 0.00 H new ATOM 0 HG2 MET A 62 2.732 -7.033 -5.637 1.00 0.00 H new ATOM 0 HG3 MET A 62 2.409 -6.501 -7.275 1.00 0.00 H new ATOM 0 HE1 MET A 62 6.522 -7.104 -5.295 1.00 0.00 H new ATOM 0 HE2 MET A 62 5.963 -5.414 -5.297 1.00 0.00 H new ATOM 0 HE3 MET A 62 4.988 -6.673 -4.504 1.00 0.00 H new ATOM 1027 N ASP A 63 2.157 -4.459 -9.011 1.00 0.00 N ATOM 1028 CA ASP A 63 1.157 -4.374 -10.078 1.00 0.00 C ATOM 1029 C ASP A 63 -0.087 -5.152 -9.728 1.00 0.00 C ATOM 1030 O ASP A 63 -1.093 -5.088 -10.436 1.00 0.00 O ATOM 1031 CB ASP A 63 1.716 -4.887 -11.413 1.00 0.00 C ATOM 1032 CG ASP A 63 2.799 -4.009 -11.994 1.00 0.00 C ATOM 1033 OD1 ASP A 63 3.964 -4.081 -11.530 1.00 0.00 O ATOM 1034 OD2 ASP A 63 2.516 -3.240 -12.936 1.00 0.00 O ATOM 0 H ASP A 63 2.872 -5.169 -9.166 1.00 0.00 H new ATOM 0 HA ASP A 63 0.899 -3.320 -10.184 1.00 0.00 H new ATOM 0 HB2 ASP A 63 2.113 -5.892 -11.269 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.900 -4.967 -12.132 1.00 0.00 H new ATOM 1039 N ASP A 64 -0.026 -5.893 -8.656 1.00 0.00 N ATOM 1040 CA ASP A 64 -1.151 -6.682 -8.214 1.00 0.00 C ATOM 1041 C ASP A 64 -1.411 -6.456 -6.729 1.00 0.00 C ATOM 1042 O ASP A 64 -0.741 -5.628 -6.101 1.00 0.00 O ATOM 1043 CB ASP A 64 -0.993 -8.181 -8.578 1.00 0.00 C ATOM 1044 CG ASP A 64 0.148 -8.919 -7.887 1.00 0.00 C ATOM 1045 OD1 ASP A 64 1.325 -8.703 -8.227 1.00 0.00 O ATOM 1046 OD2 ASP A 64 -0.121 -9.787 -7.033 1.00 0.00 O ATOM 0 H ASP A 64 0.801 -5.969 -8.063 1.00 0.00 H new ATOM 0 HA ASP A 64 -2.036 -6.344 -8.753 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.926 -8.692 -8.342 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.851 -8.260 -9.656 1.00 0.00 H new ATOM 1051 N ILE A 65 -2.391 -7.151 -6.186 1.00 0.00 N ATOM 1052 CA ILE A 65 -2.830 -6.938 -4.801 1.00 0.00 C ATOM 1053 C ILE A 65 -2.126 -7.878 -3.819 1.00 0.00 C ATOM 1054 O ILE A 65 -1.486 -8.854 -4.215 1.00 0.00 O ATOM 1055 CB ILE A 65 -4.370 -7.111 -4.662 1.00 0.00 C ATOM 1056 CG1 ILE A 65 -4.763 -8.526 -5.101 1.00 0.00 C ATOM 1057 CG2 ILE A 65 -5.106 -6.043 -5.472 1.00 0.00 C ATOM 1058 CD1 ILE A 65 -6.255 -8.834 -5.108 1.00 0.00 C ATOM 0 H ILE A 65 -2.909 -7.877 -6.680 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.558 -5.913 -4.551 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.660 -6.980 -3.620 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.373 -8.695 -6.105 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.268 -9.240 -4.442 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.182 -6.180 -5.362 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.827 -5.054 -5.108 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.834 -6.132 -6.524 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.413 -9.862 -5.435 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.657 -8.707 -4.103 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -6.764 -8.154 -5.791 1.00 0.00 H new ATOM 1070 N SER A 66 -2.271 -7.576 -2.563 1.00 0.00 N ATOM 1071 CA SER A 66 -1.647 -8.310 -1.473 1.00 0.00 C ATOM 1072 C SER A 66 -2.301 -9.691 -1.277 1.00 0.00 C ATOM 1073 O SER A 66 -3.508 -9.857 -1.500 1.00 0.00 O ATOM 1074 CB SER A 66 -1.776 -7.501 -0.192 1.00 0.00 C ATOM 1075 OG SER A 66 -1.391 -6.167 -0.400 1.00 0.00 O ATOM 0 H SER A 66 -2.841 -6.791 -2.247 1.00 0.00 H new ATOM 0 HA SER A 66 -0.597 -8.467 -1.720 1.00 0.00 H new ATOM 0 HB2 SER A 66 -2.806 -7.535 0.162 1.00 0.00 H new ATOM 0 HB3 SER A 66 -1.156 -7.945 0.587 1.00 0.00 H new ATOM 0 HG SER A 66 -0.547 -6.144 -0.897 1.00 0.00 H new ATOM 1081 N PRO A 67 -1.516 -10.698 -0.846 1.00 0.00 N ATOM 1082 CA PRO A 67 -2.017 -12.053 -0.635 1.00 0.00 C ATOM 1083 C PRO A 67 -2.971 -12.142 0.560 1.00 0.00 C ATOM 1084 O PRO A 67 -4.010 -12.792 0.490 1.00 0.00 O ATOM 1085 CB PRO A 67 -0.751 -12.888 -0.392 1.00 0.00 C ATOM 1086 CG PRO A 67 0.289 -11.914 0.048 1.00 0.00 C ATOM 1087 CD PRO A 67 -0.072 -10.583 -0.556 1.00 0.00 C ATOM 0 HA PRO A 67 -2.601 -12.403 -1.486 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -0.923 -13.649 0.369 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -0.443 -13.408 -1.299 1.00 0.00 H new ATOM 0 HG2 PRO A 67 0.321 -11.848 1.136 1.00 0.00 H new ATOM 0 HG3 PRO A 67 1.279 -12.231 -0.281 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.132 -9.764 0.134 1.00 0.00 H new ATOM 0 HD3 PRO A 67 0.502 -10.388 -1.462 1.00 0.00 H new ATOM 1095 N LEU A 68 -2.657 -11.422 1.630 1.00 0.00 N ATOM 1096 CA LEU A 68 -3.466 -11.455 2.840 1.00 0.00 C ATOM 1097 C LEU A 68 -4.808 -10.747 2.558 1.00 0.00 C ATOM 1098 O LEU A 68 -5.848 -11.077 3.132 1.00 0.00 O ATOM 1099 CB LEU A 68 -2.694 -10.787 4.007 1.00 0.00 C ATOM 1100 CG LEU A 68 -2.975 -11.284 5.456 1.00 0.00 C ATOM 1101 CD1 LEU A 68 -4.414 -11.069 5.886 1.00 0.00 C ATOM 1102 CD2 LEU A 68 -2.594 -12.754 5.599 1.00 0.00 C ATOM 0 H LEU A 68 -1.845 -10.807 1.683 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.673 -12.484 3.135 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.628 -10.909 3.814 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.903 -9.718 3.975 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.354 -10.681 6.119 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.548 -11.435 6.904 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.650 -10.005 5.849 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.079 -11.612 5.215 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.797 -13.085 6.618 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.179 -13.351 4.900 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.533 -12.878 5.382 1.00 0.00 H new ATOM 1114 N SER A 69 -4.787 -9.826 1.632 1.00 0.00 N ATOM 1115 CA SER A 69 -5.974 -9.126 1.225 1.00 0.00 C ATOM 1116 C SER A 69 -6.935 -10.070 0.478 1.00 0.00 C ATOM 1117 O SER A 69 -8.122 -9.862 0.459 1.00 0.00 O ATOM 1118 CB SER A 69 -5.566 -7.946 0.375 1.00 0.00 C ATOM 1119 OG SER A 69 -4.586 -7.199 1.077 1.00 0.00 O ATOM 0 H SER A 69 -3.942 -9.540 1.137 1.00 0.00 H new ATOM 0 HA SER A 69 -6.514 -8.762 2.099 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.168 -8.288 -0.581 1.00 0.00 H new ATOM 0 HB3 SER A 69 -6.432 -7.321 0.155 1.00 0.00 H new ATOM 0 HG SER A 69 -4.633 -6.259 0.803 1.00 0.00 H new ATOM 1125 N LYS A 70 -6.414 -11.127 -0.100 1.00 0.00 N ATOM 1126 CA LYS A 70 -7.262 -12.104 -0.759 1.00 0.00 C ATOM 1127 C LYS A 70 -7.908 -13.018 0.277 1.00 0.00 C ATOM 1128 O LYS A 70 -8.998 -13.542 0.067 1.00 0.00 O ATOM 1129 CB LYS A 70 -6.436 -12.937 -1.716 1.00 0.00 C ATOM 1130 CG LYS A 70 -5.589 -12.098 -2.628 1.00 0.00 C ATOM 1131 CD LYS A 70 -4.756 -12.937 -3.539 1.00 0.00 C ATOM 1132 CE LYS A 70 -3.774 -12.072 -4.269 1.00 0.00 C ATOM 1133 NZ LYS A 70 -3.050 -12.821 -5.302 1.00 0.00 N ATOM 0 H LYS A 70 -5.416 -11.335 -0.130 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.041 -11.578 -1.312 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.794 -13.609 -1.146 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -7.100 -13.561 -2.314 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.230 -11.445 -3.220 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.941 -11.455 -2.033 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.228 -13.699 -2.965 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.394 -13.460 -4.251 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.299 -11.234 -4.728 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.062 -11.651 -3.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.380 -12.188 -5.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -2.529 -13.605 -4.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.727 -13.201 -5.994 1.00 0.00 H new ATOM 1147 N VAL A 71 -7.247 -13.180 1.416 1.00 0.00 N ATOM 1148 CA VAL A 71 -7.737 -14.099 2.432 1.00 0.00 C ATOM 1149 C VAL A 71 -8.722 -13.400 3.370 1.00 0.00 C ATOM 1150 O VAL A 71 -9.770 -13.946 3.709 1.00 0.00 O ATOM 1151 CB VAL A 71 -6.568 -14.777 3.261 1.00 0.00 C ATOM 1152 CG1 VAL A 71 -5.445 -15.195 2.351 1.00 0.00 C ATOM 1153 CG2 VAL A 71 -6.022 -13.907 4.385 1.00 0.00 C ATOM 0 H VAL A 71 -6.383 -12.694 1.657 1.00 0.00 H new ATOM 0 HA VAL A 71 -8.257 -14.898 1.903 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.014 -15.652 3.734 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.653 -15.658 2.940 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -5.818 -15.910 1.618 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -5.050 -14.320 1.835 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.226 -14.441 4.904 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.626 -12.981 3.969 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.823 -13.676 5.088 1.00 0.00 H new ATOM 1163 N ASN A 72 -8.395 -12.182 3.750 1.00 0.00 N ATOM 1164 CA ASN A 72 -9.182 -11.443 4.741 1.00 0.00 C ATOM 1165 C ASN A 72 -9.422 -10.018 4.308 1.00 0.00 C ATOM 1166 O ASN A 72 -9.641 -9.152 5.137 1.00 0.00 O ATOM 1167 CB ASN A 72 -8.457 -11.418 6.113 1.00 0.00 C ATOM 1168 CG ASN A 72 -8.378 -12.756 6.816 1.00 0.00 C ATOM 1169 OD1 ASN A 72 -9.218 -13.634 6.618 1.00 0.00 O ATOM 1170 ND2 ASN A 72 -7.411 -12.904 7.687 1.00 0.00 N ATOM 0 H ASN A 72 -7.587 -11.673 3.391 1.00 0.00 H new ATOM 0 HA ASN A 72 -10.138 -11.959 4.831 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -7.445 -11.041 5.966 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -8.969 -10.711 6.765 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -7.338 -13.767 8.226 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -6.731 -12.156 7.826 1.00 0.00 H new ATOM 1177 N GLY A 73 -9.400 -9.774 3.032 1.00 0.00 N ATOM 1178 CA GLY A 73 -9.599 -8.427 2.546 1.00 0.00 C ATOM 1179 C GLY A 73 -11.050 -8.032 2.540 1.00 0.00 C ATOM 1180 O GLY A 73 -11.919 -8.836 2.212 1.00 0.00 O ATOM 0 H GLY A 73 -9.248 -10.477 2.309 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -9.038 -7.731 3.170 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -9.198 -8.344 1.536 1.00 0.00 H new ATOM 1184 N TYR A 74 -11.291 -6.796 2.882 1.00 0.00 N ATOM 1185 CA TYR A 74 -12.581 -6.210 3.003 1.00 0.00 C ATOM 1186 C TYR A 74 -12.411 -4.768 2.776 1.00 0.00 C ATOM 1187 O TYR A 74 -11.668 -4.102 3.485 1.00 0.00 O ATOM 1188 CB TYR A 74 -13.170 -6.416 4.410 1.00 0.00 C ATOM 1189 CG TYR A 74 -13.727 -7.789 4.700 1.00 0.00 C ATOM 1190 CD1 TYR A 74 -12.950 -8.798 5.238 1.00 0.00 C ATOM 1191 CD2 TYR A 74 -15.046 -8.055 4.458 1.00 0.00 C ATOM 1192 CE1 TYR A 74 -13.487 -10.034 5.523 1.00 0.00 C ATOM 1193 CE2 TYR A 74 -15.596 -9.267 4.728 1.00 0.00 C ATOM 1194 CZ TYR A 74 -14.814 -10.264 5.266 1.00 0.00 C ATOM 1195 OH TYR A 74 -15.362 -11.494 5.542 1.00 0.00 O ATOM 0 H TYR A 74 -10.541 -6.139 3.095 1.00 0.00 H new ATOM 0 HA TYR A 74 -13.261 -6.672 2.287 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -12.393 -6.199 5.143 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -13.964 -5.684 4.561 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -11.905 -8.614 5.438 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -15.669 -7.278 4.040 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -12.869 -10.813 5.944 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -16.641 -9.448 4.522 1.00 0.00 H new ATOM 0 HH TYR A 74 -16.312 -11.490 5.302 1.00 0.00 H new ATOM 1205 N ILE A 75 -13.005 -4.301 1.757 1.00 0.00 N ATOM 1206 CA ILE A 75 -13.030 -2.908 1.507 1.00 0.00 C ATOM 1207 C ILE A 75 -14.047 -2.346 2.444 1.00 0.00 C ATOM 1208 O ILE A 75 -15.221 -2.746 2.408 1.00 0.00 O ATOM 1209 CB ILE A 75 -13.396 -2.650 0.052 1.00 0.00 C ATOM 1210 CG1 ILE A 75 -12.249 -3.102 -0.830 1.00 0.00 C ATOM 1211 CG2 ILE A 75 -13.742 -1.175 -0.203 1.00 0.00 C ATOM 1212 CD1 ILE A 75 -12.570 -3.138 -2.312 1.00 0.00 C ATOM 0 H ILE A 75 -13.493 -4.869 1.064 1.00 0.00 H new ATOM 0 HA ILE A 75 -12.060 -2.438 1.669 1.00 0.00 H new ATOM 0 HB ILE A 75 -14.292 -3.222 -0.189 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -11.401 -2.436 -0.671 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -11.936 -4.097 -0.515 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -13.997 -1.037 -1.254 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -14.591 -0.888 0.417 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -12.884 -0.551 0.047 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -11.693 -3.472 -2.866 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -13.396 -3.827 -2.489 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -12.853 -2.140 -2.647 1.00 0.00 H new ATOM 1224 N GLY A 76 -13.592 -1.521 3.321 1.00 0.00 N ATOM 1225 CA GLY A 76 -14.445 -1.019 4.330 1.00 0.00 C ATOM 1226 C GLY A 76 -14.506 0.467 4.377 1.00 0.00 C ATOM 1227 O GLY A 76 -13.480 1.182 4.333 1.00 0.00 O ATOM 0 H GLY A 76 -12.631 -1.181 3.357 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -15.450 -1.410 4.172 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -14.107 -1.391 5.297 1.00 0.00 H new ATOM 1231 N VAL A 77 -15.667 0.964 4.465 1.00 0.00 N ATOM 1232 CA VAL A 77 -15.785 2.347 4.583 1.00 0.00 C ATOM 1233 C VAL A 77 -16.222 2.723 5.939 1.00 0.00 C ATOM 1234 O VAL A 77 -16.950 1.993 6.612 1.00 0.00 O ATOM 1235 CB VAL A 77 -16.672 3.042 3.526 1.00 0.00 C ATOM 1236 CG1 VAL A 77 -16.216 2.745 2.117 1.00 0.00 C ATOM 1237 CG2 VAL A 77 -18.124 2.747 3.735 1.00 0.00 C ATOM 0 H VAL A 77 -16.541 0.439 4.458 1.00 0.00 H new ATOM 0 HA VAL A 77 -14.778 2.716 4.389 1.00 0.00 H new ATOM 0 HB VAL A 77 -16.552 4.116 3.665 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -16.869 3.254 1.408 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -15.193 3.096 1.984 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -16.257 1.670 1.940 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -18.712 3.255 2.971 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -18.290 1.672 3.666 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -18.429 3.099 4.721 1.00 0.00 H new ATOM 1247 N SER A 78 -15.754 3.829 6.357 1.00 0.00 N ATOM 1248 CA SER A 78 -16.212 4.380 7.573 1.00 0.00 C ATOM 1249 C SER A 78 -17.413 5.243 7.198 1.00 0.00 C ATOM 1250 O SER A 78 -17.596 5.505 6.000 1.00 0.00 O ATOM 1251 CB SER A 78 -15.099 5.173 8.218 1.00 0.00 C ATOM 1252 OG SER A 78 -13.929 4.368 8.337 1.00 0.00 O ATOM 0 H SER A 78 -15.046 4.380 5.872 1.00 0.00 H new ATOM 0 HA SER A 78 -16.506 3.628 8.305 1.00 0.00 H new ATOM 0 HB2 SER A 78 -14.881 6.059 7.622 1.00 0.00 H new ATOM 0 HB3 SER A 78 -15.413 5.520 9.202 1.00 0.00 H new ATOM 0 HG SER A 78 -13.213 4.891 8.754 1.00 0.00 H new ATOM 1258 N ASP A 79 -18.179 5.712 8.176 1.00 0.00 N ATOM 1259 CA ASP A 79 -19.459 6.417 7.960 1.00 0.00 C ATOM 1260 C ASP A 79 -19.331 7.611 6.995 1.00 0.00 C ATOM 1261 O ASP A 79 -20.284 7.987 6.321 1.00 0.00 O ATOM 1262 CB ASP A 79 -20.010 6.921 9.290 1.00 0.00 C ATOM 1263 CG ASP A 79 -20.013 5.890 10.405 1.00 0.00 C ATOM 1264 OD1 ASP A 79 -20.925 5.031 10.464 1.00 0.00 O ATOM 1265 OD2 ASP A 79 -19.088 5.926 11.251 1.00 0.00 O ATOM 0 H ASP A 79 -17.933 5.617 9.161 1.00 0.00 H new ATOM 0 HA ASP A 79 -20.137 5.693 7.508 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -19.421 7.781 9.610 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -21.030 7.273 9.136 1.00 0.00 H new ATOM 1270 N ASN A 80 -18.143 8.183 6.922 1.00 0.00 N ATOM 1271 CA ASN A 80 -17.872 9.314 6.033 1.00 0.00 C ATOM 1272 C ASN A 80 -17.375 8.865 4.676 1.00 0.00 C ATOM 1273 O ASN A 80 -16.761 9.638 3.948 1.00 0.00 O ATOM 1274 CB ASN A 80 -16.861 10.283 6.636 1.00 0.00 C ATOM 1275 CG ASN A 80 -17.425 11.109 7.759 1.00 0.00 C ATOM 1276 OD1 ASN A 80 -18.028 12.158 7.528 1.00 0.00 O ATOM 1277 ND2 ASN A 80 -17.210 10.684 8.956 1.00 0.00 N ATOM 0 H ASN A 80 -17.338 7.883 7.472 1.00 0.00 H new ATOM 0 HA ASN A 80 -18.826 9.827 5.908 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -16.003 9.720 7.004 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -16.494 10.948 5.854 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -17.544 11.222 9.756 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -16.706 9.810 9.104 1.00 0.00 H new ATOM 1284 N GLY A 81 -17.623 7.624 4.354 1.00 0.00 N ATOM 1285 CA GLY A 81 -17.254 7.084 3.075 1.00 0.00 C ATOM 1286 C GLY A 81 -15.781 6.945 2.954 1.00 0.00 C ATOM 1287 O GLY A 81 -15.215 7.243 1.927 1.00 0.00 O ATOM 0 H GLY A 81 -18.087 6.959 4.972 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -17.726 6.111 2.939 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -17.627 7.733 2.282 1.00 0.00 H new ATOM 1291 N VAL A 82 -15.160 6.540 4.027 1.00 0.00 N ATOM 1292 CA VAL A 82 -13.728 6.361 4.039 1.00 0.00 C ATOM 1293 C VAL A 82 -13.405 5.060 3.325 1.00 0.00 C ATOM 1294 O VAL A 82 -13.720 4.021 3.808 1.00 0.00 O ATOM 1295 CB VAL A 82 -13.166 6.358 5.482 1.00 0.00 C ATOM 1296 CG1 VAL A 82 -11.646 6.268 5.473 1.00 0.00 C ATOM 1297 CG2 VAL A 82 -13.621 7.610 6.226 1.00 0.00 C ATOM 0 H VAL A 82 -15.623 6.326 4.910 1.00 0.00 H new ATOM 0 HA VAL A 82 -13.254 7.196 3.523 1.00 0.00 H new ATOM 0 HB VAL A 82 -13.554 5.480 5.999 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -11.275 6.268 6.498 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -11.339 5.348 4.976 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -11.234 7.124 4.939 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -13.220 7.597 7.239 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -13.259 8.495 5.704 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -14.710 7.633 6.267 1.00 0.00 H new ATOM 1307 N ILE A 83 -12.695 5.182 2.243 1.00 0.00 N ATOM 1308 CA ILE A 83 -12.402 4.143 1.210 1.00 0.00 C ATOM 1309 C ILE A 83 -11.264 3.196 1.627 1.00 0.00 C ATOM 1310 O ILE A 83 -10.380 2.852 0.852 1.00 0.00 O ATOM 1311 CB ILE A 83 -12.188 4.794 -0.212 1.00 0.00 C ATOM 1312 CG1 ILE A 83 -13.377 5.706 -0.521 1.00 0.00 C ATOM 1313 CG2 ILE A 83 -12.072 3.736 -1.329 1.00 0.00 C ATOM 1314 CD1 ILE A 83 -14.719 5.011 -0.405 1.00 0.00 C ATOM 0 H ILE A 83 -12.254 6.072 2.009 1.00 0.00 H new ATOM 0 HA ILE A 83 -13.282 3.505 1.130 1.00 0.00 H new ATOM 0 HB ILE A 83 -11.253 5.354 -0.184 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -13.358 6.557 0.159 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -13.268 6.102 -1.531 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -11.926 4.234 -2.288 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -11.223 3.084 -1.126 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -12.985 3.142 -1.364 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -15.516 5.717 -0.638 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -14.758 4.176 -1.105 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -14.849 4.639 0.611 1.00 0.00 H new ATOM 1326 N SER A 84 -11.238 2.867 2.861 1.00 0.00 N ATOM 1327 CA SER A 84 -10.101 2.196 3.424 1.00 0.00 C ATOM 1328 C SER A 84 -10.250 0.666 3.360 1.00 0.00 C ATOM 1329 O SER A 84 -11.326 0.132 3.487 1.00 0.00 O ATOM 1330 CB SER A 84 -10.012 2.650 4.870 1.00 0.00 C ATOM 1331 OG SER A 84 -11.302 2.618 5.486 1.00 0.00 O ATOM 0 H SER A 84 -11.995 3.048 3.520 1.00 0.00 H new ATOM 0 HA SER A 84 -9.201 2.443 2.862 1.00 0.00 H new ATOM 0 HB2 SER A 84 -9.325 2.005 5.418 1.00 0.00 H new ATOM 0 HB3 SER A 84 -9.606 3.660 4.916 1.00 0.00 H new ATOM 0 HG SER A 84 -11.874 1.978 5.014 1.00 0.00 H new ATOM 1337 N THR A 85 -9.194 -0.033 3.100 1.00 0.00 N ATOM 1338 CA THR A 85 -9.295 -1.452 3.141 1.00 0.00 C ATOM 1339 C THR A 85 -8.975 -1.942 4.534 1.00 0.00 C ATOM 1340 O THR A 85 -8.231 -1.274 5.300 1.00 0.00 O ATOM 1341 CB THR A 85 -8.422 -2.156 2.077 1.00 0.00 C ATOM 1342 OG1 THR A 85 -7.070 -1.723 2.171 1.00 0.00 O ATOM 1343 CG2 THR A 85 -8.945 -1.877 0.685 1.00 0.00 C ATOM 0 H THR A 85 -8.276 0.343 2.863 1.00 0.00 H new ATOM 0 HA THR A 85 -10.323 -1.716 2.892 1.00 0.00 H new ATOM 0 HB THR A 85 -8.467 -3.229 2.265 1.00 0.00 H new ATOM 0 HG1 THR A 85 -6.674 -1.689 1.275 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.316 -2.382 -0.048 1.00 0.00 H new ATOM 0 HG22 THR A 85 -9.968 -2.245 0.600 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.929 -0.803 0.499 1.00 0.00 H new ATOM 1351 N PHE A 86 -9.580 -3.032 4.898 1.00 0.00 N ATOM 1352 CA PHE A 86 -9.398 -3.627 6.181 1.00 0.00 C ATOM 1353 C PHE A 86 -9.134 -5.106 6.017 1.00 0.00 C ATOM 1354 O PHE A 86 -9.349 -5.665 4.932 1.00 0.00 O ATOM 1355 CB PHE A 86 -10.666 -3.508 7.039 1.00 0.00 C ATOM 1356 CG PHE A 86 -11.056 -2.144 7.510 1.00 0.00 C ATOM 1357 CD1 PHE A 86 -11.533 -1.194 6.637 1.00 0.00 C ATOM 1358 CD2 PHE A 86 -11.003 -1.845 8.852 1.00 0.00 C ATOM 1359 CE1 PHE A 86 -11.948 0.039 7.093 1.00 0.00 C ATOM 1360 CE2 PHE A 86 -11.406 -0.612 9.321 1.00 0.00 C ATOM 1361 CZ PHE A 86 -11.884 0.332 8.439 1.00 0.00 C ATOM 0 H PHE A 86 -10.227 -3.541 4.296 1.00 0.00 H new ATOM 0 HA PHE A 86 -8.567 -3.110 6.661 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -11.499 -3.917 6.467 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -10.539 -4.143 7.916 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -11.583 -1.417 5.581 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -10.641 -2.587 9.548 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -12.323 0.775 6.397 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -11.347 -0.388 10.376 1.00 0.00 H new ATOM 0 HZ PHE A 86 -12.207 1.297 8.800 1.00 0.00 H new ATOM 1371 N HIS A 87 -8.664 -5.724 7.067 1.00 0.00 N ATOM 1372 CA HIS A 87 -8.607 -7.153 7.123 1.00 0.00 C ATOM 1373 C HIS A 87 -9.654 -7.596 8.109 1.00 0.00 C ATOM 1374 O HIS A 87 -9.606 -7.235 9.292 1.00 0.00 O ATOM 1375 CB HIS A 87 -7.227 -7.708 7.505 1.00 0.00 C ATOM 1376 CG HIS A 87 -6.142 -7.444 6.503 1.00 0.00 C ATOM 1377 ND1 HIS A 87 -6.200 -7.822 5.172 1.00 0.00 N ATOM 1378 CD2 HIS A 87 -4.948 -6.837 6.666 1.00 0.00 C ATOM 1379 CE1 HIS A 87 -5.055 -7.442 4.587 1.00 0.00 C ATOM 1380 NE2 HIS A 87 -4.260 -6.839 5.455 1.00 0.00 N ATOM 0 H HIS A 87 -8.313 -5.252 7.900 1.00 0.00 H new ATOM 0 HA HIS A 87 -8.795 -7.548 6.125 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -6.931 -7.278 8.462 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -7.312 -8.785 7.652 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -4.583 -6.416 7.591 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -4.814 -7.606 3.547 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -3.333 -6.454 5.275 1.00 0.00 H new ATOM 1388 N GLY A 88 -10.610 -8.312 7.631 1.00 0.00 N ATOM 1389 CA GLY A 88 -11.711 -8.699 8.456 1.00 0.00 C ATOM 1390 C GLY A 88 -12.825 -7.682 8.345 1.00 0.00 C ATOM 1391 O GLY A 88 -12.634 -6.635 7.718 1.00 0.00 O ATOM 0 H GLY A 88 -10.656 -8.646 6.668 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -12.074 -9.682 8.155 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -11.387 -8.783 9.493 1.00 0.00 H new ATOM 1395 N ARG A 89 -13.986 -7.997 8.907 1.00 0.00 N ATOM 1396 CA ARG A 89 -15.147 -7.095 8.885 1.00 0.00 C ATOM 1397 C ARG A 89 -14.762 -5.696 9.406 1.00 0.00 C ATOM 1398 O ARG A 89 -14.229 -5.564 10.517 1.00 0.00 O ATOM 1399 CB ARG A 89 -16.320 -7.677 9.703 1.00 0.00 C ATOM 1400 CG ARG A 89 -16.923 -8.961 9.135 1.00 0.00 C ATOM 1401 CD ARG A 89 -17.719 -8.699 7.861 1.00 0.00 C ATOM 1402 NE ARG A 89 -18.199 -9.926 7.235 1.00 0.00 N ATOM 1403 CZ ARG A 89 -18.696 -10.017 5.990 1.00 0.00 C ATOM 1404 NH1 ARG A 89 -18.845 -8.916 5.240 1.00 0.00 N ATOM 1405 NH2 ARG A 89 -19.036 -11.205 5.505 1.00 0.00 N ATOM 0 H ARG A 89 -14.156 -8.879 9.390 1.00 0.00 H new ATOM 0 HA ARG A 89 -15.475 -6.998 7.850 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -15.975 -7.873 10.718 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -17.105 -6.924 9.773 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -16.126 -9.675 8.925 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -17.572 -9.419 9.881 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -18.569 -8.058 8.094 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -17.094 -8.155 7.153 1.00 0.00 H new ATOM 0 HE ARG A 89 -18.154 -10.783 7.786 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -18.581 -8.005 5.614 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -19.223 -8.990 4.295 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -18.919 -12.042 6.077 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -19.414 -11.281 4.561 1.00 0.00 H new ATOM 1419 N PRO A 90 -14.988 -4.660 8.584 1.00 0.00 N ATOM 1420 CA PRO A 90 -14.616 -3.284 8.898 1.00 0.00 C ATOM 1421 C PRO A 90 -15.491 -2.665 9.978 1.00 0.00 C ATOM 1422 O PRO A 90 -16.595 -2.184 9.733 1.00 0.00 O ATOM 1423 CB PRO A 90 -14.760 -2.541 7.572 1.00 0.00 C ATOM 1424 CG PRO A 90 -15.715 -3.354 6.770 1.00 0.00 C ATOM 1425 CD PRO A 90 -15.615 -4.771 7.264 1.00 0.00 C ATOM 0 HA PRO A 90 -13.607 -3.230 9.306 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -15.137 -1.530 7.726 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -13.799 -2.449 7.066 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -16.731 -2.977 6.884 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -15.472 -3.298 5.709 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -16.598 -5.238 7.330 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -15.016 -5.384 6.591 1.00 0.00 H new ATOM 1433 N GLU A 91 -15.019 -2.758 11.168 1.00 0.00 N ATOM 1434 CA GLU A 91 -15.697 -2.261 12.320 1.00 0.00 C ATOM 1435 C GLU A 91 -14.630 -1.643 13.239 1.00 0.00 C ATOM 1436 O GLU A 91 -13.456 -1.740 12.903 1.00 0.00 O ATOM 1437 CB GLU A 91 -16.448 -3.446 12.950 1.00 0.00 C ATOM 1438 CG GLU A 91 -15.571 -4.608 13.363 1.00 0.00 C ATOM 1439 CD GLU A 91 -16.387 -5.791 13.776 1.00 0.00 C ATOM 1440 OE1 GLU A 91 -16.967 -5.771 14.870 1.00 0.00 O ATOM 1441 OE2 GLU A 91 -16.480 -6.763 13.005 1.00 0.00 O ATOM 0 H GLU A 91 -14.122 -3.195 11.379 1.00 0.00 H new ATOM 0 HA GLU A 91 -16.433 -1.486 12.105 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -16.990 -3.090 13.826 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -17.192 -3.806 12.239 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -14.919 -4.886 12.535 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -14.926 -4.304 14.188 1.00 0.00 H new ATOM 1448 N PRO A 92 -14.975 -0.997 14.392 1.00 0.00 N ATOM 1449 CA PRO A 92 -13.959 -0.393 15.286 1.00 0.00 C ATOM 1450 C PRO A 92 -13.060 -1.447 15.935 1.00 0.00 C ATOM 1451 O PRO A 92 -11.976 -1.145 16.462 1.00 0.00 O ATOM 1452 CB PRO A 92 -14.768 0.341 16.349 1.00 0.00 C ATOM 1453 CG PRO A 92 -16.149 -0.201 16.271 1.00 0.00 C ATOM 1454 CD PRO A 92 -16.337 -0.774 14.896 1.00 0.00 C ATOM 0 HA PRO A 92 -13.288 0.264 14.732 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -14.343 0.181 17.340 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -14.762 1.416 16.169 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -16.302 -0.969 17.030 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -16.880 0.585 16.461 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -16.904 -1.705 14.929 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -16.889 -0.088 14.254 1.00 0.00 H new ATOM 1462 N ALA A 93 -13.513 -2.680 15.873 1.00 0.00 N ATOM 1463 CA ALA A 93 -12.763 -3.805 16.364 1.00 0.00 C ATOM 1464 C ALA A 93 -11.784 -4.281 15.290 1.00 0.00 C ATOM 1465 O ALA A 93 -11.078 -5.273 15.457 1.00 0.00 O ATOM 1466 CB ALA A 93 -13.704 -4.906 16.797 1.00 0.00 C ATOM 0 H ALA A 93 -14.420 -2.927 15.477 1.00 0.00 H new ATOM 0 HA ALA A 93 -12.182 -3.508 17.237 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -13.127 -5.753 17.167 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -14.356 -4.537 17.589 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -14.309 -5.223 15.947 1.00 0.00 H new ATOM 1472 N SER A 94 -11.775 -3.576 14.183 1.00 0.00 N ATOM 1473 CA SER A 94 -10.821 -3.785 13.135 1.00 0.00 C ATOM 1474 C SER A 94 -10.131 -2.437 12.879 1.00 0.00 C ATOM 1475 O SER A 94 -10.596 -1.387 13.377 1.00 0.00 O ATOM 1476 CB SER A 94 -11.501 -4.330 11.865 1.00 0.00 C ATOM 1477 OG SER A 94 -10.545 -4.656 10.864 1.00 0.00 O ATOM 0 H SER A 94 -12.444 -2.831 13.988 1.00 0.00 H new ATOM 0 HA SER A 94 -10.085 -4.534 13.425 1.00 0.00 H new ATOM 0 HB2 SER A 94 -12.085 -5.216 12.115 1.00 0.00 H new ATOM 0 HB3 SER A 94 -12.198 -3.588 11.477 1.00 0.00 H new ATOM 0 HG SER A 94 -10.584 -5.617 10.675 1.00 0.00 H new ATOM 1483 N GLU A 95 -9.050 -2.444 12.140 1.00 0.00 N ATOM 1484 CA GLU A 95 -8.273 -1.257 11.923 1.00 0.00 C ATOM 1485 C GLU A 95 -7.901 -1.128 10.460 1.00 0.00 C ATOM 1486 O GLU A 95 -7.446 -2.102 9.840 1.00 0.00 O ATOM 1487 CB GLU A 95 -7.028 -1.259 12.806 1.00 0.00 C ATOM 1488 CG GLU A 95 -7.357 -1.358 14.279 1.00 0.00 C ATOM 1489 CD GLU A 95 -6.171 -1.221 15.161 1.00 0.00 C ATOM 1490 OE1 GLU A 95 -5.797 -0.072 15.489 1.00 0.00 O ATOM 1491 OE2 GLU A 95 -5.606 -2.242 15.578 1.00 0.00 O ATOM 0 H GLU A 95 -8.687 -3.275 11.673 1.00 0.00 H new ATOM 0 HA GLU A 95 -8.878 -0.393 12.197 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.389 -2.096 12.524 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -6.458 -0.347 12.626 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -8.081 -0.584 14.534 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -7.835 -2.318 14.473 1.00 0.00 H new ATOM 1498 N PRO A 96 -8.109 0.063 9.881 1.00 0.00 N ATOM 1499 CA PRO A 96 -7.832 0.321 8.476 1.00 0.00 C ATOM 1500 C PRO A 96 -6.357 0.160 8.136 1.00 0.00 C ATOM 1501 O PRO A 96 -5.466 0.526 8.915 1.00 0.00 O ATOM 1502 CB PRO A 96 -8.291 1.769 8.252 1.00 0.00 C ATOM 1503 CG PRO A 96 -8.338 2.378 9.608 1.00 0.00 C ATOM 1504 CD PRO A 96 -8.632 1.256 10.564 1.00 0.00 C ATOM 0 HA PRO A 96 -8.349 -0.391 7.833 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -7.599 2.306 7.603 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -9.269 1.802 7.771 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -7.390 2.858 9.852 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -9.108 3.147 9.662 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -8.143 1.412 11.526 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -9.701 1.168 10.760 1.00 0.00 H new ATOM 1512 N ILE A 97 -6.115 -0.414 6.994 1.00 0.00 N ATOM 1513 CA ILE A 97 -4.779 -0.668 6.498 1.00 0.00 C ATOM 1514 C ILE A 97 -4.168 0.647 5.999 1.00 0.00 C ATOM 1515 O ILE A 97 -2.979 0.920 6.176 1.00 0.00 O ATOM 1516 CB ILE A 97 -4.872 -1.693 5.346 1.00 0.00 C ATOM 1517 CG1 ILE A 97 -5.576 -2.961 5.846 1.00 0.00 C ATOM 1518 CG2 ILE A 97 -3.492 -2.025 4.794 1.00 0.00 C ATOM 1519 CD1 ILE A 97 -6.013 -3.891 4.743 1.00 0.00 C ATOM 0 H ILE A 97 -6.851 -0.728 6.362 1.00 0.00 H new ATOM 0 HA ILE A 97 -4.145 -1.069 7.288 1.00 0.00 H new ATOM 0 HB ILE A 97 -5.453 -1.257 4.534 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -4.904 -3.498 6.516 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -6.448 -2.673 6.433 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -3.588 -2.749 3.985 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -3.024 -1.117 4.415 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -2.875 -2.448 5.587 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.502 -4.764 5.175 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -6.711 -3.373 4.085 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -5.142 -4.210 4.170 1.00 0.00 H new ATOM 1531 N GLN A 98 -5.005 1.450 5.418 1.00 0.00 N ATOM 1532 CA GLN A 98 -4.667 2.751 4.894 1.00 0.00 C ATOM 1533 C GLN A 98 -6.002 3.442 4.751 1.00 0.00 C ATOM 1534 O GLN A 98 -7.012 2.856 5.134 1.00 0.00 O ATOM 1535 CB GLN A 98 -3.972 2.637 3.486 1.00 0.00 C ATOM 1536 CG GLN A 98 -4.937 2.513 2.281 1.00 0.00 C ATOM 1537 CD GLN A 98 -5.870 1.319 2.342 1.00 0.00 C ATOM 1538 OE1 GLN A 98 -7.002 1.392 1.918 1.00 0.00 O ATOM 1539 NE2 GLN A 98 -5.396 0.227 2.814 1.00 0.00 N ATOM 0 H GLN A 98 -5.988 1.212 5.287 1.00 0.00 H new ATOM 0 HA GLN A 98 -3.969 3.284 5.540 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -3.342 3.514 3.338 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -3.313 1.769 3.494 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -5.535 3.422 2.216 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -4.349 2.452 1.365 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -4.438 0.196 3.164 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -5.976 -0.612 2.840 1.00 0.00 H new ATOM 1548 N SER A 99 -6.037 4.632 4.246 1.00 0.00 N ATOM 1549 CA SER A 99 -7.273 5.263 3.915 1.00 0.00 C ATOM 1550 C SER A 99 -7.047 6.126 2.683 1.00 0.00 C ATOM 1551 O SER A 99 -6.181 7.006 2.695 1.00 0.00 O ATOM 1552 CB SER A 99 -7.786 6.093 5.087 1.00 0.00 C ATOM 1553 OG SER A 99 -7.944 5.284 6.249 1.00 0.00 O ATOM 0 H SER A 99 -5.209 5.195 4.051 1.00 0.00 H new ATOM 0 HA SER A 99 -8.034 4.512 3.701 1.00 0.00 H new ATOM 0 HB2 SER A 99 -7.090 6.905 5.296 1.00 0.00 H new ATOM 0 HB3 SER A 99 -8.740 6.551 4.824 1.00 0.00 H new ATOM 0 HG SER A 99 -8.272 5.836 6.990 1.00 0.00 H new ATOM 1559 N PHE A 100 -7.773 5.847 1.613 1.00 0.00 N ATOM 1560 CA PHE A 100 -7.607 6.584 0.389 1.00 0.00 C ATOM 1561 C PHE A 100 -8.313 7.929 0.458 1.00 0.00 C ATOM 1562 O PHE A 100 -7.662 8.963 0.620 1.00 0.00 O ATOM 1563 CB PHE A 100 -8.076 5.777 -0.835 1.00 0.00 C ATOM 1564 CG PHE A 100 -7.222 4.579 -1.172 1.00 0.00 C ATOM 1565 CD1 PHE A 100 -6.097 4.726 -1.964 1.00 0.00 C ATOM 1566 CD2 PHE A 100 -7.549 3.312 -0.716 1.00 0.00 C ATOM 1567 CE1 PHE A 100 -5.311 3.637 -2.294 1.00 0.00 C ATOM 1568 CE2 PHE A 100 -6.767 2.217 -1.046 1.00 0.00 C ATOM 1569 CZ PHE A 100 -5.647 2.382 -1.835 1.00 0.00 C ATOM 0 H PHE A 100 -8.481 5.114 1.576 1.00 0.00 H new ATOM 0 HA PHE A 100 -6.540 6.768 0.267 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -9.097 5.439 -0.659 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -8.104 6.440 -1.700 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -5.829 5.706 -2.330 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -8.423 3.177 -0.096 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -4.435 3.770 -2.911 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -7.034 1.234 -0.686 1.00 0.00 H new ATOM 0 HZ PHE A 100 -5.035 1.530 -2.092 1.00 0.00 H new ATOM 1579 N PHE A 101 -9.631 7.913 0.399 1.00 0.00 N ATOM 1580 CA PHE A 101 -10.399 9.139 0.374 1.00 0.00 C ATOM 1581 C PHE A 101 -11.770 8.945 1.011 1.00 0.00 C ATOM 1582 O PHE A 101 -12.054 7.860 1.544 1.00 0.00 O ATOM 1583 CB PHE A 101 -10.495 9.679 -1.069 1.00 0.00 C ATOM 1584 CG PHE A 101 -11.068 8.733 -2.101 1.00 0.00 C ATOM 1585 CD1 PHE A 101 -10.235 7.885 -2.815 1.00 0.00 C ATOM 1586 CD2 PHE A 101 -12.424 8.705 -2.369 1.00 0.00 C ATOM 1587 CE1 PHE A 101 -10.740 7.026 -3.765 1.00 0.00 C ATOM 1588 CE2 PHE A 101 -12.935 7.848 -3.322 1.00 0.00 C ATOM 1589 CZ PHE A 101 -12.090 7.007 -4.018 1.00 0.00 C ATOM 0 H PHE A 101 -10.191 7.061 0.367 1.00 0.00 H new ATOM 0 HA PHE A 101 -9.882 9.889 0.973 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -11.105 10.582 -1.057 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -9.496 9.973 -1.392 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -9.172 7.899 -2.623 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -13.090 9.360 -1.827 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -10.077 6.370 -4.309 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -13.996 7.835 -3.523 1.00 0.00 H new ATOM 0 HZ PHE A 101 -12.490 6.334 -4.762 1.00 0.00 H new ATOM 1599 N GLN A 102 -12.593 9.988 0.979 1.00 0.00 N ATOM 1600 CA GLN A 102 -13.920 9.981 1.578 1.00 0.00 C ATOM 1601 C GLN A 102 -15.004 10.376 0.583 1.00 0.00 C ATOM 1602 O GLN A 102 -14.776 11.205 -0.315 1.00 0.00 O ATOM 1603 CB GLN A 102 -13.946 10.883 2.802 1.00 0.00 C ATOM 1604 CG GLN A 102 -13.292 10.249 4.009 1.00 0.00 C ATOM 1605 CD GLN A 102 -13.016 11.205 5.156 1.00 0.00 C ATOM 1606 OE1 GLN A 102 -12.057 11.022 5.904 1.00 0.00 O ATOM 1607 NE2 GLN A 102 -13.835 12.212 5.315 1.00 0.00 N ATOM 0 H GLN A 102 -12.353 10.872 0.530 1.00 0.00 H new ATOM 0 HA GLN A 102 -14.138 8.959 1.888 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -13.439 11.819 2.569 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -14.980 11.132 3.043 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -13.931 9.444 4.371 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -12.351 9.794 3.699 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -14.621 12.336 4.677 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -13.688 12.874 6.077 1.00 0.00 H new ATOM 1616 N ILE A 103 -16.174 9.772 0.744 1.00 0.00 N ATOM 1617 CA ILE A 103 -17.332 9.994 -0.138 1.00 0.00 C ATOM 1618 C ILE A 103 -18.610 10.040 0.722 1.00 0.00 C ATOM 1619 O ILE A 103 -18.600 9.565 1.863 1.00 0.00 O ATOM 1620 CB ILE A 103 -17.488 8.835 -1.203 1.00 0.00 C ATOM 1621 CG1 ILE A 103 -17.873 7.515 -0.528 1.00 0.00 C ATOM 1622 CG2 ILE A 103 -16.206 8.643 -1.998 1.00 0.00 C ATOM 1623 CD1 ILE A 103 -18.095 6.391 -1.498 1.00 0.00 C ATOM 0 H ILE A 103 -16.356 9.106 1.495 1.00 0.00 H new ATOM 0 HA ILE A 103 -17.176 10.933 -0.670 1.00 0.00 H new ATOM 0 HB ILE A 103 -18.285 9.130 -1.886 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -17.087 7.231 0.172 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -18.781 7.666 0.056 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -16.344 7.840 -2.722 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -15.961 9.567 -2.523 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -15.393 8.385 -1.320 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -18.364 5.487 -0.952 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -18.901 6.655 -2.183 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -17.181 6.214 -2.065 1.00 0.00 H new ATOM 1635 N ASP A 104 -19.690 10.605 0.210 1.00 0.00 N ATOM 1636 CA ASP A 104 -20.942 10.629 0.965 1.00 0.00 C ATOM 1637 C ASP A 104 -21.648 9.323 0.878 1.00 0.00 C ATOM 1638 O ASP A 104 -22.146 8.944 -0.186 1.00 0.00 O ATOM 1639 CB ASP A 104 -21.912 11.727 0.500 1.00 0.00 C ATOM 1640 CG ASP A 104 -21.731 13.054 1.182 1.00 0.00 C ATOM 1641 OD1 ASP A 104 -20.824 13.196 2.034 1.00 0.00 O ATOM 1642 OD2 ASP A 104 -22.524 13.981 0.892 1.00 0.00 O ATOM 0 H ASP A 104 -19.732 11.047 -0.708 1.00 0.00 H new ATOM 0 HA ASP A 104 -20.649 10.840 1.994 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -21.793 11.867 -0.574 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -22.933 11.385 0.666 1.00 0.00 H new ATOM 1647 N LEU A 105 -21.738 8.633 1.974 1.00 0.00 N ATOM 1648 CA LEU A 105 -22.482 7.411 1.996 1.00 0.00 C ATOM 1649 C LEU A 105 -23.936 7.708 1.896 1.00 0.00 C ATOM 1650 O LEU A 105 -24.697 6.938 1.337 1.00 0.00 O ATOM 1651 CB LEU A 105 -22.229 6.569 3.216 1.00 0.00 C ATOM 1652 CG LEU A 105 -20.869 5.935 3.366 1.00 0.00 C ATOM 1653 CD1 LEU A 105 -21.001 4.798 4.334 1.00 0.00 C ATOM 1654 CD2 LEU A 105 -20.309 5.452 2.026 1.00 0.00 C ATOM 0 H LEU A 105 -21.308 8.894 2.861 1.00 0.00 H new ATOM 0 HA LEU A 105 -22.142 6.830 1.139 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -22.407 7.190 4.094 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -22.973 5.773 3.233 1.00 0.00 H new ATOM 0 HG LEU A 105 -20.162 6.676 3.739 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -20.032 4.317 4.465 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -21.351 5.177 5.294 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -21.717 4.072 3.948 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -19.328 5.003 2.182 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -20.983 4.712 1.596 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -20.216 6.298 1.344 1.00 0.00 H new ATOM 1666 N GLU A 106 -24.311 8.840 2.416 1.00 0.00 N ATOM 1667 CA GLU A 106 -25.667 9.300 2.350 1.00 0.00 C ATOM 1668 C GLU A 106 -26.078 9.634 0.904 1.00 0.00 C ATOM 1669 O GLU A 106 -27.264 9.746 0.600 1.00 0.00 O ATOM 1670 CB GLU A 106 -25.867 10.471 3.308 1.00 0.00 C ATOM 1671 CG GLU A 106 -24.846 11.583 3.155 1.00 0.00 C ATOM 1672 CD GLU A 106 -25.052 12.681 4.156 1.00 0.00 C ATOM 1673 OE1 GLU A 106 -25.871 13.579 3.910 1.00 0.00 O ATOM 1674 OE2 GLU A 106 -24.406 12.662 5.223 1.00 0.00 O ATOM 0 H GLU A 106 -23.678 9.476 2.902 1.00 0.00 H new ATOM 0 HA GLU A 106 -26.330 8.497 2.671 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -26.864 10.885 3.155 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -25.831 10.098 4.332 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -23.843 11.172 3.270 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -24.908 11.995 2.148 1.00 0.00 H new ATOM 1681 N ARG A 107 -25.089 9.777 0.009 1.00 0.00 N ATOM 1682 CA ARG A 107 -25.397 9.992 -1.374 1.00 0.00 C ATOM 1683 C ARG A 107 -25.454 8.641 -2.105 1.00 0.00 C ATOM 1684 O ARG A 107 -26.160 8.495 -3.104 1.00 0.00 O ATOM 1685 CB ARG A 107 -24.421 10.971 -2.042 1.00 0.00 C ATOM 1686 CG ARG A 107 -23.180 10.366 -2.640 1.00 0.00 C ATOM 1687 CD ARG A 107 -22.342 11.420 -3.355 1.00 0.00 C ATOM 1688 NE ARG A 107 -23.121 12.087 -4.398 1.00 0.00 N ATOM 1689 CZ ARG A 107 -22.661 12.540 -5.567 1.00 0.00 C ATOM 1690 NH1 ARG A 107 -21.351 12.588 -5.799 1.00 0.00 N ATOM 1691 NH2 ARG A 107 -23.514 12.998 -6.471 1.00 0.00 N ATOM 0 H ARG A 107 -24.094 9.745 0.232 1.00 0.00 H new ATOM 0 HA ARG A 107 -26.378 10.464 -1.440 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -24.955 11.505 -2.828 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -24.119 11.712 -1.302 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -22.587 9.897 -1.855 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -23.458 9.580 -3.343 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -21.985 12.156 -2.635 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -21.462 10.953 -3.796 1.00 0.00 H new ATOM 0 HE ARG A 107 -24.115 12.219 -4.214 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -20.694 12.278 -5.083 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -21.004 12.935 -6.693 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -24.514 13.003 -6.272 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -23.170 13.346 -7.366 1.00 0.00 H new ATOM 1705 N LEU A 108 -24.701 7.652 -1.581 1.00 0.00 N ATOM 1706 CA LEU A 108 -24.719 6.263 -2.095 1.00 0.00 C ATOM 1707 C LEU A 108 -26.089 5.676 -2.039 1.00 0.00 C ATOM 1708 O LEU A 108 -26.875 6.012 -1.155 1.00 0.00 O ATOM 1709 CB LEU A 108 -23.851 5.304 -1.238 1.00 0.00 C ATOM 1710 CG LEU A 108 -22.446 4.993 -1.688 1.00 0.00 C ATOM 1711 CD1 LEU A 108 -22.422 4.406 -3.030 1.00 0.00 C ATOM 1712 CD2 LEU A 108 -21.588 6.164 -1.556 1.00 0.00 C ATOM 0 H LEU A 108 -24.066 7.790 -0.794 1.00 0.00 H new ATOM 0 HA LEU A 108 -24.341 6.343 -3.114 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -23.790 5.724 -0.234 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -24.387 4.359 -1.156 1.00 0.00 H new ATOM 0 HG LEU A 108 -22.036 4.229 -1.027 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -21.392 4.197 -3.317 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -22.995 3.479 -3.032 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -22.862 5.105 -3.741 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -20.580 5.915 -1.887 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -21.982 6.974 -2.170 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -21.560 6.479 -0.513 1.00 0.00 H new ATOM 1724 N GLU A 109 -26.375 4.799 -2.964 1.00 0.00 N ATOM 1725 CA GLU A 109 -27.532 3.986 -2.831 1.00 0.00 C ATOM 1726 C GLU A 109 -27.254 3.036 -1.664 1.00 0.00 C ATOM 1727 O GLU A 109 -26.112 2.534 -1.522 1.00 0.00 O ATOM 1728 CB GLU A 109 -27.855 3.239 -4.125 1.00 0.00 C ATOM 1729 CG GLU A 109 -26.724 2.396 -4.671 1.00 0.00 C ATOM 1730 CD GLU A 109 -27.136 1.618 -5.881 1.00 0.00 C ATOM 1731 OE1 GLU A 109 -27.657 0.506 -5.728 1.00 0.00 O ATOM 1732 OE2 GLU A 109 -26.972 2.100 -7.005 1.00 0.00 O ATOM 0 H GLU A 109 -25.823 4.637 -3.806 1.00 0.00 H new ATOM 0 HA GLU A 109 -28.416 4.591 -2.631 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -28.717 2.596 -3.951 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -28.147 3.965 -4.884 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -25.882 3.040 -4.924 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -26.379 1.709 -3.899 1.00 0.00 H new ATOM 1739 N SER A 110 -28.259 2.839 -0.849 1.00 0.00 N ATOM 1740 CA SER A 110 -28.182 2.144 0.426 1.00 0.00 C ATOM 1741 C SER A 110 -27.278 0.896 0.429 1.00 0.00 C ATOM 1742 O SER A 110 -26.239 0.894 1.087 1.00 0.00 O ATOM 1743 CB SER A 110 -29.602 1.823 0.921 1.00 0.00 C ATOM 1744 OG SER A 110 -29.609 1.207 2.203 1.00 0.00 O ATOM 0 H SER A 110 -29.200 3.171 -1.059 1.00 0.00 H new ATOM 0 HA SER A 110 -27.691 2.825 1.122 1.00 0.00 H new ATOM 0 HB2 SER A 110 -30.185 2.743 0.961 1.00 0.00 H new ATOM 0 HB3 SER A 110 -30.093 1.165 0.203 1.00 0.00 H new ATOM 0 HG SER A 110 -30.533 1.025 2.473 1.00 0.00 H new ATOM 1750 N HIS A 111 -27.602 -0.114 -0.345 1.00 0.00 N ATOM 1751 CA HIS A 111 -26.860 -1.364 -0.240 1.00 0.00 C ATOM 1752 C HIS A 111 -25.438 -1.330 -0.767 1.00 0.00 C ATOM 1753 O HIS A 111 -24.661 -2.238 -0.474 1.00 0.00 O ATOM 1754 CB HIS A 111 -27.643 -2.599 -0.694 1.00 0.00 C ATOM 1755 CG HIS A 111 -28.795 -2.918 0.203 1.00 0.00 C ATOM 1756 ND1 HIS A 111 -30.030 -3.313 -0.239 1.00 0.00 N ATOM 1757 CD2 HIS A 111 -28.865 -2.918 1.554 1.00 0.00 C ATOM 1758 CE1 HIS A 111 -30.796 -3.534 0.825 1.00 0.00 C ATOM 1759 NE2 HIS A 111 -30.135 -3.311 1.945 1.00 0.00 N ATOM 0 H HIS A 111 -28.351 -0.105 -1.037 1.00 0.00 H new ATOM 0 HA HIS A 111 -26.735 -1.475 0.837 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -28.011 -2.437 -1.707 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -26.970 -3.456 -0.732 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -28.059 -2.654 2.222 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -31.826 -3.855 0.779 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -30.485 -3.408 2.898 1.00 0.00 H new ATOM 1767 N MET A 112 -25.074 -0.295 -1.506 1.00 0.00 N ATOM 1768 CA MET A 112 -23.682 -0.148 -1.897 1.00 0.00 C ATOM 1769 C MET A 112 -22.867 0.240 -0.705 1.00 0.00 C ATOM 1770 O MET A 112 -21.904 -0.427 -0.361 1.00 0.00 O ATOM 1771 CB MET A 112 -23.447 0.889 -2.975 1.00 0.00 C ATOM 1772 CG MET A 112 -23.720 0.453 -4.384 1.00 0.00 C ATOM 1773 SD MET A 112 -23.090 1.662 -5.578 1.00 0.00 S ATOM 1774 CE MET A 112 -21.325 1.621 -5.191 1.00 0.00 C ATOM 0 H MET A 112 -25.702 0.436 -1.839 1.00 0.00 H new ATOM 0 HA MET A 112 -23.387 -1.115 -2.303 1.00 0.00 H new ATOM 0 HB2 MET A 112 -24.071 1.756 -2.758 1.00 0.00 H new ATOM 0 HB3 MET A 112 -22.410 1.219 -2.913 1.00 0.00 H new ATOM 0 HG2 MET A 112 -23.255 -0.516 -4.564 1.00 0.00 H new ATOM 0 HG3 MET A 112 -24.793 0.323 -4.526 1.00 0.00 H new ATOM 0 HE1 MET A 112 -21.053 2.519 -4.636 1.00 0.00 H new ATOM 0 HE2 MET A 112 -21.105 0.741 -4.587 1.00 0.00 H new ATOM 0 HE3 MET A 112 -20.751 1.578 -6.116 1.00 0.00 H new ATOM 1784 N GLN A 113 -23.282 1.309 -0.043 1.00 0.00 N ATOM 1785 CA GLN A 113 -22.559 1.801 1.101 1.00 0.00 C ATOM 1786 C GLN A 113 -22.622 0.807 2.250 1.00 0.00 C ATOM 1787 O GLN A 113 -21.648 0.617 2.946 1.00 0.00 O ATOM 1788 CB GLN A 113 -23.027 3.189 1.527 1.00 0.00 C ATOM 1789 CG GLN A 113 -24.484 3.274 1.782 1.00 0.00 C ATOM 1790 CD GLN A 113 -24.841 3.786 3.150 1.00 0.00 C ATOM 1791 OE1 GLN A 113 -24.953 3.021 4.104 1.00 0.00 O ATOM 1792 NE2 GLN A 113 -25.081 5.045 3.250 1.00 0.00 N ATOM 0 H GLN A 113 -24.115 1.846 -0.284 1.00 0.00 H new ATOM 0 HA GLN A 113 -21.515 1.906 0.806 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -22.491 3.482 2.430 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -22.760 3.907 0.751 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -24.935 3.925 1.033 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -24.923 2.285 1.650 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -24.977 5.650 2.436 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -25.375 5.439 4.144 1.00 0.00 H new ATOM 1801 N LYS A 114 -23.767 0.144 2.404 1.00 0.00 N ATOM 1802 CA LYS A 114 -23.947 -0.891 3.422 1.00 0.00 C ATOM 1803 C LYS A 114 -22.999 -2.059 3.169 1.00 0.00 C ATOM 1804 O LYS A 114 -22.511 -2.680 4.107 1.00 0.00 O ATOM 1805 CB LYS A 114 -25.380 -1.415 3.395 1.00 0.00 C ATOM 1806 CG LYS A 114 -26.451 -0.407 3.795 1.00 0.00 C ATOM 1807 CD LYS A 114 -26.556 -0.220 5.298 1.00 0.00 C ATOM 1808 CE LYS A 114 -27.033 -1.494 5.980 1.00 0.00 C ATOM 1809 NZ LYS A 114 -27.137 -1.342 7.448 1.00 0.00 N ATOM 0 H LYS A 114 -24.594 0.308 1.829 1.00 0.00 H new ATOM 0 HA LYS A 114 -23.732 -0.447 4.394 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -25.599 -1.773 2.389 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -25.447 -2.275 4.061 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -26.231 0.553 3.329 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -27.415 -0.736 3.407 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -25.585 0.069 5.700 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -27.247 0.594 5.518 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -28.005 -1.777 5.577 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -26.344 -2.306 5.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -27.465 -2.235 7.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -26.204 -1.098 7.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -27.814 -0.585 7.672 1.00 0.00 H new ATOM 1823 N ASN A 115 -22.724 -2.334 1.899 1.00 0.00 N ATOM 1824 CA ASN A 115 -21.841 -3.437 1.518 1.00 0.00 C ATOM 1825 C ASN A 115 -20.427 -3.075 1.920 1.00 0.00 C ATOM 1826 O ASN A 115 -19.654 -3.904 2.368 1.00 0.00 O ATOM 1827 CB ASN A 115 -21.919 -3.673 0.005 1.00 0.00 C ATOM 1828 CG ASN A 115 -21.355 -4.995 -0.452 1.00 0.00 C ATOM 1829 OD1 ASN A 115 -21.305 -5.962 0.297 1.00 0.00 O ATOM 1830 ND2 ASN A 115 -21.004 -5.071 -1.706 1.00 0.00 N ATOM 0 H ASN A 115 -23.100 -1.807 1.111 1.00 0.00 H new ATOM 0 HA ASN A 115 -22.147 -4.354 2.022 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -22.962 -3.610 -0.306 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -21.386 -2.870 -0.503 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -20.675 -5.957 -2.091 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -21.058 -4.245 -2.302 1.00 0.00 H new ATOM 1837 N LEU A 116 -20.131 -1.805 1.811 1.00 0.00 N ATOM 1838 CA LEU A 116 -18.845 -1.266 2.185 1.00 0.00 C ATOM 1839 C LEU A 116 -18.725 -1.202 3.724 1.00 0.00 C ATOM 1840 O LEU A 116 -17.627 -1.223 4.271 1.00 0.00 O ATOM 1841 CB LEU A 116 -18.701 0.129 1.588 1.00 0.00 C ATOM 1842 CG LEU A 116 -18.892 0.254 0.069 1.00 0.00 C ATOM 1843 CD1 LEU A 116 -18.989 1.712 -0.334 1.00 0.00 C ATOM 1844 CD2 LEU A 116 -17.742 -0.401 -0.672 1.00 0.00 C ATOM 0 H LEU A 116 -20.783 -1.106 1.456 1.00 0.00 H new ATOM 0 HA LEU A 116 -18.052 -1.910 1.804 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -19.423 0.784 2.076 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -17.709 0.505 1.838 1.00 0.00 H new ATOM 0 HG LEU A 116 -19.819 -0.254 -0.197 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -19.124 1.783 -1.413 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -19.839 2.173 0.169 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -18.074 2.230 -0.048 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -17.897 -0.301 -1.746 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -16.806 0.084 -0.394 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -17.695 -1.458 -0.409 1.00 0.00 H new ATOM 1856 N LEU A 117 -19.870 -1.097 4.406 1.00 0.00 N ATOM 1857 CA LEU A 117 -19.914 -1.094 5.869 1.00 0.00 C ATOM 1858 C LEU A 117 -19.661 -2.486 6.400 1.00 0.00 C ATOM 1859 O LEU A 117 -18.908 -2.677 7.347 1.00 0.00 O ATOM 1860 CB LEU A 117 -21.288 -0.649 6.406 1.00 0.00 C ATOM 1861 CG LEU A 117 -21.831 0.695 5.953 1.00 0.00 C ATOM 1862 CD1 LEU A 117 -23.122 1.021 6.671 1.00 0.00 C ATOM 1863 CD2 LEU A 117 -20.826 1.776 6.165 1.00 0.00 C ATOM 0 H LEU A 117 -20.785 -1.012 3.963 1.00 0.00 H new ATOM 0 HA LEU A 117 -19.147 -0.393 6.200 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -22.016 -1.412 6.132 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -21.233 -0.637 7.495 1.00 0.00 H new ATOM 0 HG LEU A 117 -22.039 0.630 4.885 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -23.493 1.988 6.331 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -23.863 0.251 6.455 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -22.941 1.059 7.745 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -21.240 2.728 5.832 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -20.577 1.839 7.224 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -19.925 1.553 5.593 1.00 0.00 H new ATOM 1875 N LYS A 118 -20.324 -3.457 5.807 1.00 0.00 N ATOM 1876 CA LYS A 118 -20.211 -4.826 6.253 1.00 0.00 C ATOM 1877 C LYS A 118 -18.892 -5.402 5.772 1.00 0.00 C ATOM 1878 O LYS A 118 -18.345 -6.302 6.374 1.00 0.00 O ATOM 1879 CB LYS A 118 -21.410 -5.657 5.753 1.00 0.00 C ATOM 1880 CG LYS A 118 -21.342 -6.053 4.284 1.00 0.00 C ATOM 1881 CD LYS A 118 -22.724 -6.082 3.626 1.00 0.00 C ATOM 1882 CE LYS A 118 -23.662 -7.025 4.331 1.00 0.00 C ATOM 1883 NZ LYS A 118 -24.995 -7.073 3.702 1.00 0.00 N ATOM 0 H LYS A 118 -20.949 -3.321 5.012 1.00 0.00 H new ATOM 0 HA LYS A 118 -20.226 -4.860 7.342 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -21.484 -6.562 6.356 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -22.324 -5.087 5.920 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -20.702 -5.351 3.750 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -20.879 -7.036 4.196 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -23.149 -5.078 3.629 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -22.623 -6.382 2.583 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -23.230 -8.026 4.336 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -23.766 -6.718 5.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -25.602 -7.736 4.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -25.422 -6.125 3.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -24.903 -7.392 2.716 1.00 0.00 H new ATOM 1897 N GLY A 119 -18.400 -4.883 4.685 1.00 0.00 N ATOM 1898 CA GLY A 119 -17.148 -5.278 4.185 1.00 0.00 C ATOM 1899 C GLY A 119 -17.288 -6.102 2.958 1.00 0.00 C ATOM 1900 O GLY A 119 -18.032 -7.084 2.943 1.00 0.00 O ATOM 0 H GLY A 119 -18.872 -4.170 4.128 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -16.548 -4.395 3.965 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -16.613 -5.845 4.947 1.00 0.00 H new ATOM 1904 N ILE A 120 -16.601 -5.694 1.936 1.00 0.00 N ATOM 1905 CA ILE A 120 -16.587 -6.410 0.676 1.00 0.00 C ATOM 1906 C ILE A 120 -15.744 -7.654 0.853 1.00 0.00 C ATOM 1907 O ILE A 120 -14.651 -7.547 1.362 1.00 0.00 O ATOM 1908 CB ILE A 120 -15.931 -5.531 -0.447 1.00 0.00 C ATOM 1909 CG1 ILE A 120 -16.574 -4.146 -0.496 1.00 0.00 C ATOM 1910 CG2 ILE A 120 -16.014 -6.206 -1.821 1.00 0.00 C ATOM 1911 CD1 ILE A 120 -18.061 -4.196 -0.594 1.00 0.00 C ATOM 0 H ILE A 120 -16.027 -4.851 1.942 1.00 0.00 H new ATOM 0 HA ILE A 120 -17.609 -6.656 0.389 1.00 0.00 H new ATOM 0 HB ILE A 120 -14.876 -5.420 -0.196 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -16.293 -3.589 0.398 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -16.178 -3.598 -1.351 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -15.549 -5.565 -2.570 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -15.493 -7.163 -1.788 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -17.059 -6.371 -2.083 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -18.458 -3.181 -0.625 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -18.348 -4.726 -1.502 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -18.465 -4.717 0.274 1.00 0.00 H new ATOM 1923 N PRO A 121 -16.212 -8.841 0.398 1.00 0.00 N ATOM 1924 CA PRO A 121 -15.446 -10.133 0.477 1.00 0.00 C ATOM 1925 C PRO A 121 -14.186 -10.151 -0.442 1.00 0.00 C ATOM 1926 O PRO A 121 -13.665 -11.218 -0.811 1.00 0.00 O ATOM 1927 CB PRO A 121 -16.472 -11.165 -0.019 1.00 0.00 C ATOM 1928 CG PRO A 121 -17.436 -10.386 -0.841 1.00 0.00 C ATOM 1929 CD PRO A 121 -17.548 -9.046 -0.191 1.00 0.00 C ATOM 0 HA PRO A 121 -15.062 -10.316 1.481 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -15.992 -11.946 -0.608 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -16.972 -11.657 0.815 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -17.085 -10.292 -1.869 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -18.406 -10.883 -0.879 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -17.792 -8.268 -0.914 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -18.329 -9.032 0.569 1.00 0.00 H new ATOM 1937 N PHE A 122 -13.720 -8.960 -0.727 1.00 0.00 N ATOM 1938 CA PHE A 122 -12.614 -8.615 -1.575 1.00 0.00 C ATOM 1939 C PHE A 122 -12.833 -8.998 -3.032 1.00 0.00 C ATOM 1940 O PHE A 122 -13.812 -9.653 -3.386 1.00 0.00 O ATOM 1941 CB PHE A 122 -11.264 -9.071 -1.022 1.00 0.00 C ATOM 1942 CG PHE A 122 -10.199 -8.034 -1.244 1.00 0.00 C ATOM 1943 CD1 PHE A 122 -10.304 -6.795 -0.628 1.00 0.00 C ATOM 1944 CD2 PHE A 122 -9.126 -8.267 -2.078 1.00 0.00 C ATOM 1945 CE1 PHE A 122 -9.362 -5.821 -0.835 1.00 0.00 C ATOM 1946 CE2 PHE A 122 -8.182 -7.287 -2.292 1.00 0.00 C ATOM 1947 CZ PHE A 122 -8.302 -6.069 -1.670 1.00 0.00 C ATOM 0 H PHE A 122 -14.153 -8.127 -0.328 1.00 0.00 H new ATOM 0 HA PHE A 122 -12.571 -7.526 -1.569 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -11.357 -9.276 0.045 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -10.970 -10.005 -1.502 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -11.141 -6.595 0.025 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -9.025 -9.225 -2.567 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -9.454 -4.864 -0.344 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -7.347 -7.477 -2.950 1.00 0.00 H new ATOM 0 HZ PHE A 122 -7.559 -5.303 -1.839 1.00 0.00 H new ATOM 1957 N ARG A 123 -11.939 -8.549 -3.865 1.00 0.00 N ATOM 1958 CA ARG A 123 -12.023 -8.702 -5.289 1.00 0.00 C ATOM 1959 C ARG A 123 -10.614 -8.871 -5.835 1.00 0.00 C ATOM 1960 O ARG A 123 -9.656 -8.807 -5.079 1.00 0.00 O ATOM 1961 CB ARG A 123 -12.655 -7.464 -5.934 1.00 0.00 C ATOM 1962 CG ARG A 123 -14.125 -7.184 -5.636 1.00 0.00 C ATOM 1963 CD ARG A 123 -14.538 -5.919 -6.371 1.00 0.00 C ATOM 1964 NE ARG A 123 -15.968 -5.617 -6.309 1.00 0.00 N ATOM 1965 CZ ARG A 123 -16.589 -4.734 -7.127 1.00 0.00 C ATOM 1966 NH1 ARG A 123 -15.892 -4.101 -8.076 1.00 0.00 N ATOM 1967 NH2 ARG A 123 -17.888 -4.499 -6.991 1.00 0.00 N ATOM 0 H ARG A 123 -11.103 -8.049 -3.561 1.00 0.00 H new ATOM 0 HA ARG A 123 -12.642 -9.570 -5.519 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -12.078 -6.593 -5.625 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -12.543 -7.554 -7.014 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -14.742 -8.024 -5.954 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -14.277 -7.065 -4.563 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -13.984 -5.077 -5.957 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -14.244 -6.010 -7.417 1.00 0.00 H new ATOM 0 HE ARG A 123 -16.531 -6.100 -5.608 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -14.894 -4.283 -8.183 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -16.358 -3.436 -8.693 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -18.421 -4.984 -6.269 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -18.353 -3.834 -7.608 1.00 0.00 H new ATOM 1981 N THR A 124 -10.496 -9.092 -7.118 1.00 0.00 N ATOM 1982 CA THR A 124 -9.209 -9.222 -7.772 1.00 0.00 C ATOM 1983 C THR A 124 -8.713 -7.785 -8.115 1.00 0.00 C ATOM 1984 O THR A 124 -9.458 -6.837 -7.889 1.00 0.00 O ATOM 1985 CB THR A 124 -9.383 -10.095 -9.033 1.00 0.00 C ATOM 1986 OG1 THR A 124 -10.148 -11.272 -8.679 1.00 0.00 O ATOM 1987 CG2 THR A 124 -8.047 -10.527 -9.604 1.00 0.00 C ATOM 0 H THR A 124 -11.293 -9.188 -7.748 1.00 0.00 H new ATOM 0 HA THR A 124 -8.468 -9.706 -7.136 1.00 0.00 H new ATOM 0 HB THR A 124 -9.899 -9.506 -9.791 1.00 0.00 H new ATOM 0 HG1 THR A 124 -11.105 -11.068 -8.731 1.00 0.00 H new ATOM 0 HG21 THR A 124 -8.211 -11.140 -10.490 1.00 0.00 H new ATOM 0 HG22 THR A 124 -7.465 -9.646 -9.874 1.00 0.00 H new ATOM 0 HG23 THR A 124 -7.503 -11.106 -8.858 1.00 0.00 H new ATOM 1995 N LYS A 125 -7.505 -7.617 -8.674 1.00 0.00 N ATOM 1996 CA LYS A 125 -6.924 -6.289 -8.862 1.00 0.00 C ATOM 1997 C LYS A 125 -7.774 -5.365 -9.722 1.00 0.00 C ATOM 1998 O LYS A 125 -8.051 -4.237 -9.324 1.00 0.00 O ATOM 1999 CB LYS A 125 -5.495 -6.332 -9.415 1.00 0.00 C ATOM 2000 CG LYS A 125 -5.342 -6.975 -10.801 1.00 0.00 C ATOM 2001 CD LYS A 125 -4.056 -6.526 -11.481 1.00 0.00 C ATOM 2002 CE LYS A 125 -4.120 -5.033 -11.825 1.00 0.00 C ATOM 2003 NZ LYS A 125 -2.867 -4.529 -12.404 1.00 0.00 N ATOM 0 H LYS A 125 -6.917 -8.384 -9.001 1.00 0.00 H new ATOM 0 HA LYS A 125 -6.894 -5.873 -7.855 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -5.111 -5.313 -9.462 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -4.867 -6.877 -8.710 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -5.344 -8.061 -10.703 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -6.197 -6.710 -11.423 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -3.206 -6.718 -10.826 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -3.896 -7.107 -12.389 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -4.935 -4.861 -12.528 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -4.352 -4.466 -10.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -3.003 -3.549 -12.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -2.117 -4.556 -11.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -2.594 -5.124 -13.212 1.00 0.00 H new ATOM 2017 N ALA A 126 -8.259 -5.867 -10.855 1.00 0.00 N ATOM 2018 CA ALA A 126 -8.985 -5.039 -11.791 1.00 0.00 C ATOM 2019 C ALA A 126 -10.351 -4.758 -11.246 1.00 0.00 C ATOM 2020 O ALA A 126 -10.947 -3.718 -11.495 1.00 0.00 O ATOM 2021 CB ALA A 126 -9.075 -5.739 -13.125 1.00 0.00 C ATOM 0 H ALA A 126 -8.158 -6.841 -11.139 1.00 0.00 H new ATOM 0 HA ALA A 126 -8.462 -4.093 -11.933 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -9.623 -5.112 -13.829 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -8.071 -5.922 -13.508 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -9.596 -6.689 -13.003 1.00 0.00 H new ATOM 2027 N GLU A 127 -10.798 -5.672 -10.438 1.00 0.00 N ATOM 2028 CA GLU A 127 -12.089 -5.609 -9.837 1.00 0.00 C ATOM 2029 C GLU A 127 -12.058 -4.630 -8.657 1.00 0.00 C ATOM 2030 O GLU A 127 -13.053 -3.965 -8.340 1.00 0.00 O ATOM 2031 CB GLU A 127 -12.448 -6.984 -9.359 1.00 0.00 C ATOM 2032 CG GLU A 127 -12.208 -8.070 -10.372 1.00 0.00 C ATOM 2033 CD GLU A 127 -12.840 -9.367 -9.962 1.00 0.00 C ATOM 2034 OE1 GLU A 127 -12.450 -9.925 -8.915 1.00 0.00 O ATOM 2035 OE2 GLU A 127 -13.763 -9.835 -10.668 1.00 0.00 O ATOM 0 H GLU A 127 -10.261 -6.498 -10.175 1.00 0.00 H new ATOM 0 HA GLU A 127 -12.830 -5.261 -10.557 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -11.872 -7.206 -8.461 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -13.500 -6.994 -9.074 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -12.608 -7.761 -11.338 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -11.135 -8.214 -10.503 1.00 0.00 H new ATOM 2042 N PHE A 128 -10.916 -4.577 -8.008 1.00 0.00 N ATOM 2043 CA PHE A 128 -10.652 -3.674 -6.915 1.00 0.00 C ATOM 2044 C PHE A 128 -10.619 -2.250 -7.427 1.00 0.00 C ATOM 2045 O PHE A 128 -11.297 -1.375 -6.907 1.00 0.00 O ATOM 2046 CB PHE A 128 -9.312 -4.048 -6.252 1.00 0.00 C ATOM 2047 CG PHE A 128 -8.795 -3.014 -5.290 1.00 0.00 C ATOM 2048 CD1 PHE A 128 -7.992 -1.972 -5.749 1.00 0.00 C ATOM 2049 CD2 PHE A 128 -9.121 -3.065 -3.952 1.00 0.00 C ATOM 2050 CE1 PHE A 128 -7.531 -1.008 -4.885 1.00 0.00 C ATOM 2051 CE2 PHE A 128 -8.662 -2.100 -3.081 1.00 0.00 C ATOM 2052 CZ PHE A 128 -7.865 -1.070 -3.547 1.00 0.00 C ATOM 0 H PHE A 128 -10.124 -5.179 -8.234 1.00 0.00 H new ATOM 0 HA PHE A 128 -11.444 -3.754 -6.170 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -9.432 -4.994 -5.723 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -8.566 -4.210 -7.030 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -7.729 -1.921 -6.795 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -9.742 -3.868 -3.583 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -6.909 -0.204 -5.252 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -8.925 -2.148 -2.035 1.00 0.00 H new ATOM 0 HZ PHE A 128 -7.504 -0.315 -2.864 1.00 0.00 H new ATOM 2062 N GLU A 129 -9.840 -2.018 -8.450 1.00 0.00 N ATOM 2063 CA GLU A 129 -9.759 -0.702 -9.024 1.00 0.00 C ATOM 2064 C GLU A 129 -11.095 -0.293 -9.668 1.00 0.00 C ATOM 2065 O GLU A 129 -11.367 0.884 -9.869 1.00 0.00 O ATOM 2066 CB GLU A 129 -8.530 -0.539 -9.926 1.00 0.00 C ATOM 2067 CG GLU A 129 -8.369 -1.607 -10.974 1.00 0.00 C ATOM 2068 CD GLU A 129 -7.128 -1.430 -11.820 1.00 0.00 C ATOM 2069 OE1 GLU A 129 -6.986 -0.382 -12.487 1.00 0.00 O ATOM 2070 OE2 GLU A 129 -6.261 -2.334 -11.835 1.00 0.00 O ATOM 0 H GLU A 129 -9.254 -2.721 -8.901 1.00 0.00 H new ATOM 0 HA GLU A 129 -9.596 0.016 -8.220 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -8.586 0.430 -10.421 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -7.637 -0.526 -9.301 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -8.333 -2.582 -10.487 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -9.246 -1.606 -11.622 1.00 0.00 H new ATOM 2077 N ASP A 130 -11.921 -1.291 -9.979 1.00 0.00 N ATOM 2078 CA ASP A 130 -13.298 -1.071 -10.466 1.00 0.00 C ATOM 2079 C ASP A 130 -14.149 -0.461 -9.371 1.00 0.00 C ATOM 2080 O ASP A 130 -14.778 0.569 -9.547 1.00 0.00 O ATOM 2081 CB ASP A 130 -13.951 -2.384 -10.894 1.00 0.00 C ATOM 2082 CG ASP A 130 -15.446 -2.237 -11.162 1.00 0.00 C ATOM 2083 OD1 ASP A 130 -15.835 -1.716 -12.229 1.00 0.00 O ATOM 2084 OD2 ASP A 130 -16.268 -2.622 -10.280 1.00 0.00 O ATOM 0 H ASP A 130 -11.663 -2.275 -9.904 1.00 0.00 H new ATOM 0 HA ASP A 130 -13.235 -0.399 -11.322 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -13.459 -2.753 -11.794 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -13.797 -3.132 -10.116 1.00 0.00 H new ATOM 2089 N VAL A 131 -14.169 -1.108 -8.233 1.00 0.00 N ATOM 2090 CA VAL A 131 -14.947 -0.612 -7.117 1.00 0.00 C ATOM 2091 C VAL A 131 -14.386 0.736 -6.632 1.00 0.00 C ATOM 2092 O VAL A 131 -15.138 1.635 -6.267 1.00 0.00 O ATOM 2093 CB VAL A 131 -15.093 -1.669 -5.963 1.00 0.00 C ATOM 2094 CG1 VAL A 131 -13.765 -2.154 -5.464 1.00 0.00 C ATOM 2095 CG2 VAL A 131 -15.931 -1.139 -4.816 1.00 0.00 C ATOM 0 H VAL A 131 -13.661 -1.974 -8.052 1.00 0.00 H new ATOM 0 HA VAL A 131 -15.964 -0.437 -7.467 1.00 0.00 H new ATOM 0 HB VAL A 131 -15.614 -2.523 -6.397 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -13.919 -2.882 -4.668 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -13.218 -2.622 -6.282 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -13.191 -1.311 -5.079 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -16.008 -1.900 -4.039 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -15.461 -0.246 -4.404 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -16.928 -0.889 -5.179 1.00 0.00 H new ATOM 2105 N ILE A 132 -13.076 0.891 -6.721 1.00 0.00 N ATOM 2106 CA ILE A 132 -12.419 2.134 -6.372 1.00 0.00 C ATOM 2107 C ILE A 132 -12.804 3.276 -7.325 1.00 0.00 C ATOM 2108 O ILE A 132 -13.052 4.402 -6.870 1.00 0.00 O ATOM 2109 CB ILE A 132 -10.867 1.955 -6.211 1.00 0.00 C ATOM 2110 CG1 ILE A 132 -10.497 1.696 -4.735 1.00 0.00 C ATOM 2111 CG2 ILE A 132 -10.068 3.126 -6.775 1.00 0.00 C ATOM 2112 CD1 ILE A 132 -11.183 0.503 -4.104 1.00 0.00 C ATOM 0 H ILE A 132 -12.441 0.158 -7.037 1.00 0.00 H new ATOM 0 HA ILE A 132 -12.787 2.430 -5.390 1.00 0.00 H new ATOM 0 HB ILE A 132 -10.592 1.082 -6.803 1.00 0.00 H new ATOM 0 HG12 ILE A 132 -9.418 1.555 -4.666 1.00 0.00 H new ATOM 0 HG13 ILE A 132 -10.740 2.585 -4.154 1.00 0.00 H new ATOM 0 HG21 ILE A 132 -9.003 2.942 -6.633 1.00 0.00 H new ATOM 0 HG22 ILE A 132 -10.279 3.232 -7.839 1.00 0.00 H new ATOM 0 HG23 ILE A 132 -10.350 4.042 -6.256 1.00 0.00 H new ATOM 0 HD11 ILE A 132 -10.859 0.403 -3.068 1.00 0.00 H new ATOM 0 HD12 ILE A 132 -12.263 0.646 -4.135 1.00 0.00 H new ATOM 0 HD13 ILE A 132 -10.921 -0.401 -4.655 1.00 0.00 H new ATOM 2124 N GLU A 133 -12.904 2.991 -8.630 1.00 0.00 N ATOM 2125 CA GLU A 133 -13.315 4.022 -9.572 1.00 0.00 C ATOM 2126 C GLU A 133 -14.779 4.402 -9.331 1.00 0.00 C ATOM 2127 O GLU A 133 -15.173 5.544 -9.513 1.00 0.00 O ATOM 2128 CB GLU A 133 -13.076 3.653 -11.051 1.00 0.00 C ATOM 2129 CG GLU A 133 -13.899 2.508 -11.571 1.00 0.00 C ATOM 2130 CD GLU A 133 -13.793 2.335 -13.057 1.00 0.00 C ATOM 2131 OE1 GLU A 133 -14.527 3.009 -13.794 1.00 0.00 O ATOM 2132 OE2 GLU A 133 -12.970 1.523 -13.532 1.00 0.00 O ATOM 0 H GLU A 133 -12.710 2.079 -9.043 1.00 0.00 H new ATOM 0 HA GLU A 133 -12.676 4.884 -9.382 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -13.278 4.531 -11.664 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -12.022 3.409 -11.181 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -13.582 1.588 -11.080 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -14.943 2.668 -11.303 1.00 0.00 H new ATOM 2139 N HIS A 134 -15.555 3.441 -8.865 1.00 0.00 N ATOM 2140 CA HIS A 134 -16.954 3.660 -8.563 1.00 0.00 C ATOM 2141 C HIS A 134 -17.061 4.564 -7.315 1.00 0.00 C ATOM 2142 O HIS A 134 -17.906 5.427 -7.235 1.00 0.00 O ATOM 2143 CB HIS A 134 -17.639 2.308 -8.329 1.00 0.00 C ATOM 2144 CG HIS A 134 -19.135 2.306 -8.502 1.00 0.00 C ATOM 2145 ND1 HIS A 134 -19.842 1.211 -8.943 1.00 0.00 N ATOM 2146 CD2 HIS A 134 -20.055 3.279 -8.293 1.00 0.00 C ATOM 2147 CE1 HIS A 134 -21.129 1.533 -8.988 1.00 0.00 C ATOM 2148 NE2 HIS A 134 -21.318 2.786 -8.604 1.00 0.00 N ATOM 0 H HIS A 134 -15.233 2.490 -8.686 1.00 0.00 H new ATOM 0 HA HIS A 134 -17.453 4.156 -9.396 1.00 0.00 H new ATOM 0 HB2 HIS A 134 -17.209 1.578 -9.015 1.00 0.00 H new ATOM 0 HB3 HIS A 134 -17.406 1.971 -7.319 1.00 0.00 H new ATOM 0 HD2 HIS A 134 -19.842 4.278 -7.941 1.00 0.00 H new ATOM 0 HE1 HIS A 134 -21.917 0.862 -9.297 1.00 0.00 H new ATOM 0 HE2 HIS A 134 -22.205 3.286 -8.548 1.00 0.00 H new ATOM 2156 N MET A 135 -16.180 4.348 -6.365 1.00 0.00 N ATOM 2157 CA MET A 135 -16.093 5.174 -5.147 1.00 0.00 C ATOM 2158 C MET A 135 -15.756 6.618 -5.508 1.00 0.00 C ATOM 2159 O MET A 135 -16.425 7.556 -5.069 1.00 0.00 O ATOM 2160 CB MET A 135 -15.022 4.641 -4.178 1.00 0.00 C ATOM 2161 CG MET A 135 -15.188 3.206 -3.652 1.00 0.00 C ATOM 2162 SD MET A 135 -16.660 2.912 -2.636 1.00 0.00 S ATOM 2163 CE MET A 135 -17.953 2.703 -3.855 1.00 0.00 C ATOM 0 H MET A 135 -15.493 3.595 -6.400 1.00 0.00 H new ATOM 0 HA MET A 135 -17.065 5.129 -4.656 1.00 0.00 H new ATOM 0 HB2 MET A 135 -14.055 4.706 -4.677 1.00 0.00 H new ATOM 0 HB3 MET A 135 -14.983 5.311 -3.319 1.00 0.00 H new ATOM 0 HG2 MET A 135 -15.214 2.526 -4.504 1.00 0.00 H new ATOM 0 HG3 MET A 135 -14.306 2.948 -3.066 1.00 0.00 H new ATOM 0 HE1 MET A 135 -18.604 3.577 -3.848 1.00 0.00 H new ATOM 0 HE2 MET A 135 -17.507 2.591 -4.843 1.00 0.00 H new ATOM 0 HE3 MET A 135 -18.537 1.814 -3.617 1.00 0.00 H new ATOM 2173 N LYS A 136 -14.746 6.790 -6.350 1.00 0.00 N ATOM 2174 CA LYS A 136 -14.299 8.121 -6.777 1.00 0.00 C ATOM 2175 C LYS A 136 -15.287 8.779 -7.714 1.00 0.00 C ATOM 2176 O LYS A 136 -15.221 9.983 -7.984 1.00 0.00 O ATOM 2177 CB LYS A 136 -12.871 8.148 -7.317 1.00 0.00 C ATOM 2178 CG LYS A 136 -12.612 7.199 -8.442 1.00 0.00 C ATOM 2179 CD LYS A 136 -11.171 7.254 -8.914 1.00 0.00 C ATOM 2180 CE LYS A 136 -10.189 6.919 -7.796 1.00 0.00 C ATOM 2181 NZ LYS A 136 -8.805 6.855 -8.283 1.00 0.00 N ATOM 0 H LYS A 136 -14.213 6.021 -6.757 1.00 0.00 H new ATOM 0 HA LYS A 136 -14.269 8.725 -5.870 1.00 0.00 H new ATOM 0 HB2 LYS A 136 -12.643 9.160 -7.653 1.00 0.00 H new ATOM 0 HB3 LYS A 136 -12.184 7.920 -6.502 1.00 0.00 H new ATOM 0 HG2 LYS A 136 -12.850 6.185 -8.122 1.00 0.00 H new ATOM 0 HG3 LYS A 136 -13.275 7.434 -9.274 1.00 0.00 H new ATOM 0 HD2 LYS A 136 -11.033 6.555 -9.739 1.00 0.00 H new ATOM 0 HD3 LYS A 136 -10.954 8.250 -9.300 1.00 0.00 H new ATOM 0 HE2 LYS A 136 -10.263 7.671 -7.011 1.00 0.00 H new ATOM 0 HE3 LYS A 136 -10.461 5.963 -7.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 -8.169 6.625 -7.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 -8.728 6.120 -9.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 -8.536 7.775 -8.687 1.00 0.00 H new ATOM 2195 N THR A 137 -16.160 7.975 -8.264 1.00 0.00 N ATOM 2196 CA THR A 137 -17.228 8.455 -9.064 1.00 0.00 C ATOM 2197 C THR A 137 -18.206 9.274 -8.157 1.00 0.00 C ATOM 2198 O THR A 137 -18.973 10.117 -8.635 1.00 0.00 O ATOM 2199 CB THR A 137 -17.899 7.258 -9.824 1.00 0.00 C ATOM 2200 OG1 THR A 137 -17.787 7.423 -11.240 1.00 0.00 O ATOM 2201 CG2 THR A 137 -19.342 7.013 -9.420 1.00 0.00 C ATOM 0 H THR A 137 -16.139 6.960 -8.161 1.00 0.00 H new ATOM 0 HA THR A 137 -16.876 9.135 -9.839 1.00 0.00 H new ATOM 0 HB THR A 137 -17.347 6.367 -9.526 1.00 0.00 H new ATOM 0 HG1 THR A 137 -18.211 6.664 -11.692 1.00 0.00 H new ATOM 0 HG21 THR A 137 -19.740 6.171 -9.986 1.00 0.00 H new ATOM 0 HG22 THR A 137 -19.388 6.788 -8.354 1.00 0.00 H new ATOM 0 HG23 THR A 137 -19.935 7.904 -9.629 1.00 0.00 H new ATOM 2209 N TYR A 138 -18.127 9.044 -6.829 1.00 0.00 N ATOM 2210 CA TYR A 138 -18.836 9.838 -5.900 1.00 0.00 C ATOM 2211 C TYR A 138 -17.931 10.980 -5.493 1.00 0.00 C ATOM 2212 O TYR A 138 -18.109 12.096 -5.975 1.00 0.00 O ATOM 2213 CB TYR A 138 -19.317 9.010 -4.677 1.00 0.00 C ATOM 2214 CG TYR A 138 -20.280 7.925 -5.077 1.00 0.00 C ATOM 2215 CD1 TYR A 138 -21.560 8.248 -5.475 1.00 0.00 C ATOM 2216 CD2 TYR A 138 -19.900 6.590 -5.116 1.00 0.00 C ATOM 2217 CE1 TYR A 138 -22.438 7.281 -5.912 1.00 0.00 C ATOM 2218 CE2 TYR A 138 -20.767 5.620 -5.541 1.00 0.00 C ATOM 2219 CZ TYR A 138 -22.032 5.966 -5.948 1.00 0.00 C ATOM 2220 OH TYR A 138 -22.903 4.982 -6.390 1.00 0.00 O ATOM 0 H TYR A 138 -17.566 8.302 -6.410 1.00 0.00 H new ATOM 0 HA TYR A 138 -19.744 10.229 -6.358 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -18.456 8.565 -4.178 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -19.796 9.672 -3.956 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -21.880 9.279 -5.443 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -18.903 6.312 -4.806 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -23.436 7.552 -6.224 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -20.457 4.586 -5.556 1.00 0.00 H new ATOM 0 HH TYR A 138 -22.680 4.130 -5.960 1.00 0.00 H new ATOM 2230 N SER A 139 -16.916 10.675 -4.651 1.00 0.00 N ATOM 2231 CA SER A 139 -15.934 11.658 -4.118 1.00 0.00 C ATOM 2232 C SER A 139 -16.552 12.984 -3.679 1.00 0.00 C ATOM 2233 O SER A 139 -15.866 14.014 -3.585 1.00 0.00 O ATOM 2234 CB SER A 139 -14.805 11.863 -5.108 1.00 0.00 C ATOM 2235 OG SER A 139 -14.071 10.667 -5.251 1.00 0.00 O ATOM 0 H SER A 139 -16.751 9.726 -4.316 1.00 0.00 H new ATOM 0 HA SER A 139 -15.530 11.225 -3.203 1.00 0.00 H new ATOM 0 HB2 SER A 139 -15.207 12.171 -6.073 1.00 0.00 H new ATOM 0 HB3 SER A 139 -14.150 12.664 -4.765 1.00 0.00 H new ATOM 0 HG SER A 139 -13.343 10.804 -5.893 1.00 0.00 H new ATOM 2241 N GLY A 140 -17.794 12.939 -3.337 1.00 0.00 N ATOM 2242 CA GLY A 140 -18.477 14.086 -2.938 1.00 0.00 C ATOM 2243 C GLY A 140 -19.259 13.746 -1.765 1.00 0.00 C ATOM 2244 O GLY A 140 -19.682 12.569 -1.687 1.00 0.00 O ATOM 2245 OXT GLY A 140 -19.395 14.603 -0.871 1.00 0.00 O ATOM 0 H GLY A 140 -18.356 12.088 -3.332 1.00 0.00 H new ATOM 0 HA2 GLY A 140 -17.776 14.889 -2.711 1.00 0.00 H new ATOM 0 HA3 GLY A 140 -19.124 14.444 -3.739 1.00 0.00 H new TER 2249 GLY A 140