USER MOD reduce.3.24.130724 H: found=0, std=0, add=1112, rem=0, adj=32 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 -153:sc= -0.26 (180deg=-1.14) USER MOD Set 1.2: A 134 HIS : no HE2:sc= -0.132 X(o=-0.4,f=-0.26) USER MOD Set 1.3: A 138 TYR OH : rot 142:sc=-0.00947 USER MOD Set 2.1: A 115 ASN : amide:sc= 0.535 K(o=1.1,f=-7.1!) USER MOD Set 2.2: A 118 LYS NZ :NH3+ 158:sc= 0.574 (180deg=-0.268) USER MOD Set 3.1: A 110 SER OG : rot 180:sc= 0.0882 USER MOD Set 3.2: A 111 HIS : no HD1:sc= 0 X(o=0.088,f=0.088) USER MOD Set 4.1: A 84 SER OG : rot 82:sc= 1.04 USER MOD Set 4.2: A 85 THR OG1 : rot 162:sc= 0.779 USER MOD Set 4.3: A 98 GLN : amide:sc= -3.19 K(o=-1.4,f=-5.9!) USER MOD Set 5.1: A 19 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: A 62 MET CE :methyl -174:sc= -1.68 (180deg=-2) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 HIS : no HE2:sc= 0.758 K(o=0.76,f=-4.6!) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 12 HIS : no HE2:sc= -0.902 K(o=-0.9,f=-3.1!) USER MOD Single : A 14 GLN : amide:sc= -3.4 K(o=-3.4,f=-2.9!) USER MOD Single : A 17 LYS NZ :NH3+ 168:sc= -0.0174 (180deg=-0.185) USER MOD Single : A 25 SER OG : rot -25:sc= 0.299 USER MOD Single : A 28 HIS : no HD1:sc= -1.04 K(o=-1,f=-0.23) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0243) USER MOD Single : A 35 SER OG : rot 62:sc= 1.21 USER MOD Single : A 36 MET CE :methyl 176:sc= -0.337 (180deg=-0.376) USER MOD Single : A 43 TYR OH : rot 30:sc= 1.28 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -1.28 K(o=-1.3,f=-0.47) USER MOD Single : A 52 LYS NZ :NH3+ 158:sc= 1.22 (180deg=0.385) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 SER OG : rot 112:sc= 1.21 USER MOD Single : A 69 SER OG : rot 111:sc= 0.168 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= 0.0835 K(o=0.084,f=-6.7!) 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 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 94 SER OG : rot 154:sc= 1.28 USER MOD Single : A 99 SER OG : rot 3:sc= 0.838 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 GLN : amide:sc= -0.98! K(o=-0.98!,f=-1.7) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 THR OG1 : rot 87:sc= 1.16 USER MOD Single : A 125 LYS NZ :NH3+ 174:sc= 2.4 (180deg=2.24) USER MOD Single : A 135 MET CE :methyl -119:sc= -0.677 (180deg=-1.73) 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 1:sc= 0.952 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 29.585 10.880 5.504 1.00 0.00 N ATOM 2 CA ALA A 1 30.104 9.627 4.959 1.00 0.00 C ATOM 3 C ALA A 1 29.484 9.397 3.601 1.00 0.00 C ATOM 4 O ALA A 1 28.272 9.208 3.493 1.00 0.00 O ATOM 5 CB ALA A 1 29.793 8.468 5.896 1.00 0.00 C ATOM 0 H1 ALA A 1 30.004 11.051 6.440 1.00 0.00 H new ATOM 0 H2 ALA A 1 29.830 11.664 4.866 1.00 0.00 H new ATOM 0 H3 ALA A 1 28.551 10.818 5.594 1.00 0.00 H new ATOM 0 HA ALA A 1 31.188 9.690 4.859 1.00 0.00 H new ATOM 0 HB1 ALA A 1 30.187 7.543 5.474 1.00 0.00 H new ATOM 0 HB2 ALA A 1 30.256 8.650 6.866 1.00 0.00 H new ATOM 0 HB3 ALA A 1 28.714 8.380 6.020 1.00 0.00 H new ATOM 13 N GLU A 2 30.295 9.426 2.574 1.00 0.00 N ATOM 14 CA GLU A 2 29.812 9.321 1.214 1.00 0.00 C ATOM 15 C GLU A 2 30.838 8.602 0.347 1.00 0.00 C ATOM 16 O GLU A 2 31.900 8.205 0.845 1.00 0.00 O ATOM 17 CB GLU A 2 29.574 10.733 0.664 1.00 0.00 C ATOM 18 CG GLU A 2 30.828 11.600 0.700 1.00 0.00 C ATOM 19 CD GLU A 2 30.585 13.008 0.267 1.00 0.00 C ATOM 20 OE1 GLU A 2 30.217 13.835 1.123 1.00 0.00 O ATOM 21 OE2 GLU A 2 30.784 13.333 -0.925 1.00 0.00 O ATOM 0 H GLU A 2 31.307 9.523 2.653 1.00 0.00 H new ATOM 0 HA GLU A 2 28.882 8.752 1.201 1.00 0.00 H new ATOM 0 HB2 GLU A 2 29.216 10.662 -0.363 1.00 0.00 H new ATOM 0 HB3 GLU A 2 28.787 11.216 1.243 1.00 0.00 H new ATOM 0 HG2 GLU A 2 31.230 11.603 1.713 1.00 0.00 H new ATOM 0 HG3 GLU A 2 31.587 11.155 0.057 1.00 0.00 H new ATOM 28 N VAL A 3 30.493 8.448 -0.927 1.00 0.00 N ATOM 29 CA VAL A 3 31.292 7.883 -1.999 1.00 0.00 C ATOM 30 C VAL A 3 31.755 6.440 -1.821 1.00 0.00 C ATOM 31 O VAL A 3 31.775 5.882 -0.715 1.00 0.00 O ATOM 32 CB VAL A 3 32.401 8.816 -2.568 1.00 0.00 C ATOM 33 CG1 VAL A 3 31.814 10.148 -3.004 1.00 0.00 C ATOM 34 CG2 VAL A 3 33.587 9.009 -1.632 1.00 0.00 C ATOM 0 H VAL A 3 29.574 8.740 -1.259 1.00 0.00 H new ATOM 0 HA VAL A 3 30.543 7.814 -2.788 1.00 0.00 H new ATOM 0 HB VAL A 3 32.805 8.306 -3.443 1.00 0.00 H new ATOM 0 HG11 VAL A 3 32.607 10.784 -3.398 1.00 0.00 H new ATOM 0 HG12 VAL A 3 31.065 9.980 -3.778 1.00 0.00 H new ATOM 0 HG13 VAL A 3 31.348 10.638 -2.149 1.00 0.00 H new ATOM 0 HG21 VAL A 3 34.316 9.671 -2.100 1.00 0.00 H new ATOM 0 HG22 VAL A 3 33.244 9.450 -0.696 1.00 0.00 H new ATOM 0 HG23 VAL A 3 34.051 8.044 -1.429 1.00 0.00 H new ATOM 44 N GLU A 4 32.080 5.830 -2.928 1.00 0.00 N ATOM 45 CA GLU A 4 32.480 4.461 -2.941 1.00 0.00 C ATOM 46 C GLU A 4 33.988 4.317 -2.705 1.00 0.00 C ATOM 47 O GLU A 4 34.815 4.743 -3.521 1.00 0.00 O ATOM 48 CB GLU A 4 32.012 3.787 -4.240 1.00 0.00 C ATOM 49 CG GLU A 4 32.467 4.451 -5.529 1.00 0.00 C ATOM 50 CD GLU A 4 31.893 3.780 -6.751 1.00 0.00 C ATOM 51 OE1 GLU A 4 32.494 2.808 -7.258 1.00 0.00 O ATOM 52 OE2 GLU A 4 30.816 4.208 -7.230 1.00 0.00 O ATOM 0 H GLU A 4 32.073 6.275 -3.846 1.00 0.00 H new ATOM 0 HA GLU A 4 31.996 3.943 -2.113 1.00 0.00 H new ATOM 0 HB2 GLU A 4 32.365 2.756 -4.240 1.00 0.00 H new ATOM 0 HB3 GLU A 4 30.923 3.751 -4.237 1.00 0.00 H new ATOM 0 HG2 GLU A 4 32.170 5.500 -5.520 1.00 0.00 H new ATOM 0 HG3 GLU A 4 33.555 4.429 -5.582 1.00 0.00 H new ATOM 59 N HIS A 5 34.336 3.771 -1.570 1.00 0.00 N ATOM 60 CA HIS A 5 35.728 3.560 -1.208 1.00 0.00 C ATOM 61 C HIS A 5 36.079 2.114 -1.466 1.00 0.00 C ATOM 62 O HIS A 5 35.435 1.439 -2.275 1.00 0.00 O ATOM 63 CB HIS A 5 35.969 3.847 0.289 1.00 0.00 C ATOM 64 CG HIS A 5 35.660 5.230 0.771 1.00 0.00 C ATOM 65 ND1 HIS A 5 35.578 5.553 2.102 1.00 0.00 N ATOM 66 CD2 HIS A 5 35.466 6.382 0.094 1.00 0.00 C ATOM 67 CE1 HIS A 5 35.342 6.853 2.204 1.00 0.00 C ATOM 68 NE2 HIS A 5 35.264 7.416 1.009 1.00 0.00 N ATOM 0 H HIS A 5 33.669 3.457 -0.865 1.00 0.00 H new ATOM 0 HA HIS A 5 36.342 4.236 -1.802 1.00 0.00 H new ATOM 0 HB2 HIS A 5 35.372 3.144 0.870 1.00 0.00 H new ATOM 0 HB3 HIS A 5 37.015 3.636 0.511 1.00 0.00 H new ATOM 0 HD1 HIS A 5 35.681 4.903 2.881 1.00 0.00 H new ATOM 0 HD2 HIS A 5 35.467 6.486 -0.981 1.00 0.00 H new ATOM 0 HE1 HIS A 5 35.228 7.383 3.138 1.00 0.00 H new ATOM 76 N TYR A 6 37.136 1.660 -0.831 1.00 0.00 N ATOM 77 CA TYR A 6 37.512 0.264 -0.857 1.00 0.00 C ATOM 78 C TYR A 6 36.687 -0.447 0.215 1.00 0.00 C ATOM 79 O TYR A 6 36.648 -1.682 0.304 1.00 0.00 O ATOM 80 CB TYR A 6 39.001 0.123 -0.567 1.00 0.00 C ATOM 81 CG TYR A 6 39.899 0.871 -1.539 1.00 0.00 C ATOM 82 CD1 TYR A 6 40.233 2.201 -1.326 1.00 0.00 C ATOM 83 CD2 TYR A 6 40.414 0.246 -2.659 1.00 0.00 C ATOM 84 CE1 TYR A 6 41.048 2.885 -2.195 1.00 0.00 C ATOM 85 CE2 TYR A 6 41.234 0.925 -3.537 1.00 0.00 C ATOM 86 CZ TYR A 6 41.547 2.246 -3.297 1.00 0.00 C ATOM 87 OH TYR A 6 42.361 2.930 -4.171 1.00 0.00 O ATOM 0 H TYR A 6 37.761 2.249 -0.281 1.00 0.00 H new ATOM 0 HA TYR A 6 37.321 -0.175 -1.836 1.00 0.00 H new ATOM 0 HB2 TYR A 6 39.199 0.483 0.443 1.00 0.00 H new ATOM 0 HB3 TYR A 6 39.265 -0.934 -0.586 1.00 0.00 H new ATOM 0 HD1 TYR A 6 39.843 2.710 -0.457 1.00 0.00 H new ATOM 0 HD2 TYR A 6 40.171 -0.789 -2.850 1.00 0.00 H new ATOM 0 HE1 TYR A 6 41.293 3.920 -2.009 1.00 0.00 H new ATOM 0 HE2 TYR A 6 41.629 0.424 -4.408 1.00 0.00 H new ATOM 0 HH TYR A 6 42.632 2.334 -4.900 1.00 0.00 H new ATOM 97 N GLU A 7 36.072 0.382 1.038 1.00 0.00 N ATOM 98 CA GLU A 7 35.129 -0.009 2.052 1.00 0.00 C ATOM 99 C GLU A 7 33.757 -0.089 1.383 1.00 0.00 C ATOM 100 O GLU A 7 33.508 0.641 0.413 1.00 0.00 O ATOM 101 CB GLU A 7 35.049 1.093 3.116 1.00 0.00 C ATOM 102 CG GLU A 7 36.365 1.472 3.754 1.00 0.00 C ATOM 103 CD GLU A 7 36.237 2.712 4.597 1.00 0.00 C ATOM 104 OE1 GLU A 7 36.303 3.829 4.046 1.00 0.00 O ATOM 105 OE2 GLU A 7 36.067 2.606 5.829 1.00 0.00 O ATOM 0 H GLU A 7 36.228 1.390 1.011 1.00 0.00 H new ATOM 0 HA GLU A 7 35.426 -0.955 2.505 1.00 0.00 H new ATOM 0 HB2 GLU A 7 34.615 1.983 2.661 1.00 0.00 H new ATOM 0 HB3 GLU A 7 34.364 0.769 3.900 1.00 0.00 H new ATOM 0 HG2 GLU A 7 36.721 0.647 4.371 1.00 0.00 H new ATOM 0 HG3 GLU A 7 37.112 1.635 2.978 1.00 0.00 H new ATOM 112 N PRO A 8 32.855 -0.945 1.861 1.00 0.00 N ATOM 113 CA PRO A 8 31.510 -1.006 1.336 1.00 0.00 C ATOM 114 C PRO A 8 30.620 0.054 1.988 1.00 0.00 C ATOM 115 O PRO A 8 31.100 0.924 2.731 1.00 0.00 O ATOM 116 CB PRO A 8 31.019 -2.404 1.721 1.00 0.00 C ATOM 117 CG PRO A 8 32.101 -3.019 2.560 1.00 0.00 C ATOM 118 CD PRO A 8 33.057 -1.923 2.926 1.00 0.00 C ATOM 0 HA PRO A 8 31.481 -0.822 0.262 1.00 0.00 H new ATOM 0 HB2 PRO A 8 30.083 -2.347 2.276 1.00 0.00 H new ATOM 0 HB3 PRO A 8 30.827 -3.006 0.833 1.00 0.00 H new ATOM 0 HG2 PRO A 8 31.680 -3.477 3.455 1.00 0.00 H new ATOM 0 HG3 PRO A 8 32.613 -3.808 2.009 1.00 0.00 H new ATOM 0 HD2 PRO A 8 32.834 -1.504 3.907 1.00 0.00 H new ATOM 0 HD3 PRO A 8 34.087 -2.279 2.958 1.00 0.00 H new ATOM 126 N LEU A 9 29.340 -0.032 1.750 1.00 0.00 N ATOM 127 CA LEU A 9 28.409 0.929 2.301 1.00 0.00 C ATOM 128 C LEU A 9 27.283 0.152 2.937 1.00 0.00 C ATOM 129 O LEU A 9 26.605 -0.600 2.256 1.00 0.00 O ATOM 130 CB LEU A 9 27.850 1.850 1.171 1.00 0.00 C ATOM 131 CG LEU A 9 27.364 3.283 1.560 1.00 0.00 C ATOM 132 CD1 LEU A 9 26.195 3.271 2.533 1.00 0.00 C ATOM 133 CD2 LEU A 9 28.509 4.114 2.116 1.00 0.00 C ATOM 0 H LEU A 9 28.911 -0.759 1.177 1.00 0.00 H new ATOM 0 HA LEU A 9 28.905 1.563 3.036 1.00 0.00 H new ATOM 0 HB2 LEU A 9 28.626 1.956 0.413 1.00 0.00 H new ATOM 0 HB3 LEU A 9 27.015 1.331 0.701 1.00 0.00 H new ATOM 0 HG LEU A 9 27.004 3.743 0.640 1.00 0.00 H new ATOM 0 HD11 LEU A 9 25.904 4.296 2.764 1.00 0.00 H new ATOM 0 HD12 LEU A 9 25.352 2.747 2.083 1.00 0.00 H new ATOM 0 HD13 LEU A 9 26.490 2.762 3.450 1.00 0.00 H new ATOM 0 HD21 LEU A 9 28.144 5.107 2.379 1.00 0.00 H new ATOM 0 HD22 LEU A 9 28.913 3.629 3.005 1.00 0.00 H new ATOM 0 HD23 LEU A 9 29.293 4.203 1.364 1.00 0.00 H new ATOM 145 N GLN A 10 27.134 0.277 4.236 1.00 0.00 N ATOM 146 CA GLN A 10 26.059 -0.371 4.946 1.00 0.00 C ATOM 147 C GLN A 10 24.784 0.388 4.791 1.00 0.00 C ATOM 148 O GLN A 10 24.644 1.514 5.287 1.00 0.00 O ATOM 149 CB GLN A 10 26.381 -0.547 6.411 1.00 0.00 C ATOM 150 CG GLN A 10 27.401 -1.605 6.662 1.00 0.00 C ATOM 151 CD GLN A 10 27.709 -1.814 8.103 1.00 0.00 C ATOM 152 OE1 GLN A 10 26.866 -1.599 8.978 1.00 0.00 O ATOM 153 NE2 GLN A 10 28.886 -2.288 8.360 1.00 0.00 N ATOM 0 H GLN A 10 27.754 0.830 4.828 1.00 0.00 H new ATOM 0 HA GLN A 10 25.937 -1.361 4.506 1.00 0.00 H new ATOM 0 HB2 GLN A 10 26.741 0.400 6.814 1.00 0.00 H new ATOM 0 HB3 GLN A 10 25.467 -0.796 6.950 1.00 0.00 H new ATOM 0 HG2 GLN A 10 27.049 -2.544 6.236 1.00 0.00 H new ATOM 0 HG3 GLN A 10 28.320 -1.342 6.138 1.00 0.00 H new ATOM 0 HE21 GLN A 10 29.548 -2.448 7.601 1.00 0.00 H new ATOM 0 HE22 GLN A 10 29.151 -2.501 9.322 1.00 0.00 H new ATOM 162 N VAL A 11 23.880 -0.202 4.090 1.00 0.00 N ATOM 163 CA VAL A 11 22.615 0.384 3.846 1.00 0.00 C ATOM 164 C VAL A 11 21.558 -0.413 4.563 1.00 0.00 C ATOM 165 O VAL A 11 21.519 -1.640 4.449 1.00 0.00 O ATOM 166 CB VAL A 11 22.250 0.360 2.351 1.00 0.00 C ATOM 167 CG1 VAL A 11 21.128 1.329 2.046 1.00 0.00 C ATOM 168 CG2 VAL A 11 23.446 0.583 1.456 1.00 0.00 C ATOM 0 H VAL A 11 24.004 -1.121 3.664 1.00 0.00 H new ATOM 0 HA VAL A 11 22.664 1.416 4.193 1.00 0.00 H new ATOM 0 HB VAL A 11 21.890 -0.645 2.129 1.00 0.00 H new ATOM 0 HG11 VAL A 11 20.892 1.290 0.983 1.00 0.00 H new ATOM 0 HG12 VAL A 11 20.245 1.056 2.624 1.00 0.00 H new ATOM 0 HG13 VAL A 11 21.438 2.340 2.312 1.00 0.00 H new ATOM 0 HG21 VAL A 11 23.130 0.556 0.413 1.00 0.00 H new ATOM 0 HG22 VAL A 11 23.889 1.554 1.676 1.00 0.00 H new ATOM 0 HG23 VAL A 11 24.183 -0.200 1.632 1.00 0.00 H new ATOM 178 N HIS A 12 20.746 0.262 5.308 1.00 0.00 N ATOM 179 CA HIS A 12 19.610 -0.332 5.904 1.00 0.00 C ATOM 180 C HIS A 12 18.420 0.146 5.106 1.00 0.00 C ATOM 181 O HIS A 12 17.991 1.299 5.215 1.00 0.00 O ATOM 182 CB HIS A 12 19.472 0.019 7.390 1.00 0.00 C ATOM 183 CG HIS A 12 18.366 -0.741 8.067 1.00 0.00 C ATOM 184 ND1 HIS A 12 17.320 -0.159 8.742 1.00 0.00 N ATOM 185 CD2 HIS A 12 18.169 -2.074 8.153 1.00 0.00 C ATOM 186 CE1 HIS A 12 16.530 -1.131 9.202 1.00 0.00 C ATOM 187 NE2 HIS A 12 17.006 -2.324 8.874 1.00 0.00 N ATOM 0 H HIS A 12 20.860 1.254 5.519 1.00 0.00 H new ATOM 0 HA HIS A 12 19.694 -1.419 5.882 1.00 0.00 H new ATOM 0 HB2 HIS A 12 20.414 -0.190 7.897 1.00 0.00 H new ATOM 0 HB3 HIS A 12 19.286 1.088 7.490 1.00 0.00 H new ATOM 0 HD1 HIS A 12 17.173 0.842 8.869 1.00 0.00 H new ATOM 0 HD2 HIS A 12 18.814 -2.829 7.728 1.00 0.00 H new ATOM 0 HE1 HIS A 12 15.624 -0.968 9.766 1.00 0.00 H new ATOM 195 N VAL A 13 17.966 -0.703 4.265 1.00 0.00 N ATOM 196 CA VAL A 13 16.915 -0.423 3.358 1.00 0.00 C ATOM 197 C VAL A 13 15.621 -0.885 3.976 1.00 0.00 C ATOM 198 O VAL A 13 15.492 -2.046 4.377 1.00 0.00 O ATOM 199 CB VAL A 13 17.113 -1.174 2.015 1.00 0.00 C ATOM 200 CG1 VAL A 13 16.405 -0.454 0.888 1.00 0.00 C ATOM 201 CG2 VAL A 13 18.584 -1.403 1.691 1.00 0.00 C ATOM 0 H VAL A 13 18.330 -1.652 4.184 1.00 0.00 H new ATOM 0 HA VAL A 13 16.903 0.648 3.158 1.00 0.00 H new ATOM 0 HB VAL A 13 16.662 -2.160 2.127 1.00 0.00 H new ATOM 0 HG11 VAL A 13 16.557 -0.998 -0.044 1.00 0.00 H new ATOM 0 HG12 VAL A 13 15.338 -0.398 1.105 1.00 0.00 H new ATOM 0 HG13 VAL A 13 16.809 0.554 0.790 1.00 0.00 H new ATOM 0 HG21 VAL A 13 18.669 -1.932 0.742 1.00 0.00 H new ATOM 0 HG22 VAL A 13 19.094 -0.443 1.618 1.00 0.00 H new ATOM 0 HG23 VAL A 13 19.042 -1.999 2.481 1.00 0.00 H new ATOM 211 N GLN A 14 14.705 0.009 4.098 1.00 0.00 N ATOM 212 CA GLN A 14 13.408 -0.309 4.602 1.00 0.00 C ATOM 213 C GLN A 14 12.534 -0.469 3.375 1.00 0.00 C ATOM 214 O GLN A 14 12.421 0.462 2.563 1.00 0.00 O ATOM 215 CB GLN A 14 12.924 0.828 5.534 1.00 0.00 C ATOM 216 CG GLN A 14 11.772 0.470 6.487 1.00 0.00 C ATOM 217 CD GLN A 14 10.436 0.263 5.819 1.00 0.00 C ATOM 218 OE1 GLN A 14 10.099 -0.829 5.394 1.00 0.00 O ATOM 219 NE2 GLN A 14 9.647 1.292 5.779 1.00 0.00 N ATOM 0 H GLN A 14 14.831 0.990 3.850 1.00 0.00 H new ATOM 0 HA GLN A 14 13.388 -1.219 5.201 1.00 0.00 H new ATOM 0 HB2 GLN A 14 13.771 1.168 6.130 1.00 0.00 H new ATOM 0 HB3 GLN A 14 12.611 1.670 4.916 1.00 0.00 H new ATOM 0 HG2 GLN A 14 12.036 -0.439 7.028 1.00 0.00 H new ATOM 0 HG3 GLN A 14 11.672 1.264 7.227 1.00 0.00 H new ATOM 0 HE21 GLN A 14 9.962 2.191 6.144 1.00 0.00 H new ATOM 0 HE22 GLN A 14 8.711 1.202 5.383 1.00 0.00 H new ATOM 228 N LEU A 15 11.998 -1.640 3.189 1.00 0.00 N ATOM 229 CA LEU A 15 11.227 -1.923 2.018 1.00 0.00 C ATOM 230 C LEU A 15 9.755 -2.046 2.358 1.00 0.00 C ATOM 231 O LEU A 15 9.345 -2.972 3.056 1.00 0.00 O ATOM 232 CB LEU A 15 11.733 -3.209 1.352 1.00 0.00 C ATOM 233 CG LEU A 15 13.206 -3.236 0.938 1.00 0.00 C ATOM 234 CD1 LEU A 15 13.562 -4.565 0.307 1.00 0.00 C ATOM 235 CD2 LEU A 15 13.532 -2.092 -0.002 1.00 0.00 C ATOM 0 H LEU A 15 12.083 -2.420 3.841 1.00 0.00 H new ATOM 0 HA LEU A 15 11.344 -1.095 1.319 1.00 0.00 H new ATOM 0 HB2 LEU A 15 11.557 -4.039 2.037 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.127 -3.394 0.465 1.00 0.00 H new ATOM 0 HG LEU A 15 13.808 -3.112 1.838 1.00 0.00 H new ATOM 0 HD11 LEU A 15 14.614 -4.562 0.020 1.00 0.00 H new ATOM 0 HD12 LEU A 15 13.384 -5.367 1.023 1.00 0.00 H new ATOM 0 HD13 LEU A 15 12.945 -4.725 -0.578 1.00 0.00 H new ATOM 0 HD21 LEU A 15 14.585 -2.137 -0.279 1.00 0.00 H new ATOM 0 HD22 LEU A 15 12.917 -2.171 -0.899 1.00 0.00 H new ATOM 0 HD23 LEU A 15 13.328 -1.143 0.495 1.00 0.00 H new ATOM 247 N GLU A 16 8.980 -1.112 1.874 1.00 0.00 N ATOM 248 CA GLU A 16 7.547 -1.115 2.076 1.00 0.00 C ATOM 249 C GLU A 16 6.934 -1.846 0.919 1.00 0.00 C ATOM 250 O GLU A 16 7.330 -1.642 -0.232 1.00 0.00 O ATOM 251 CB GLU A 16 6.993 0.315 2.117 1.00 0.00 C ATOM 252 CG GLU A 16 7.562 1.190 3.216 1.00 0.00 C ATOM 253 CD GLU A 16 7.086 2.632 3.122 1.00 0.00 C ATOM 254 OE1 GLU A 16 7.267 3.272 2.070 1.00 0.00 O ATOM 255 OE2 GLU A 16 6.500 3.148 4.104 1.00 0.00 O ATOM 0 H GLU A 16 9.322 -0.323 1.326 1.00 0.00 H new ATOM 0 HA GLU A 16 7.310 -1.595 3.026 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.187 0.792 1.156 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.911 0.266 2.236 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.278 0.780 4.185 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.651 1.167 3.167 1.00 0.00 H new ATOM 262 N LYS A 17 5.996 -2.682 1.194 1.00 0.00 N ATOM 263 CA LYS A 17 5.371 -3.460 0.165 1.00 0.00 C ATOM 264 C LYS A 17 3.910 -3.141 0.190 1.00 0.00 C ATOM 265 O LYS A 17 3.200 -3.642 1.050 1.00 0.00 O ATOM 266 CB LYS A 17 5.566 -4.957 0.446 1.00 0.00 C ATOM 267 CG LYS A 17 7.014 -5.442 0.527 1.00 0.00 C ATOM 268 CD LYS A 17 7.697 -5.388 -0.824 1.00 0.00 C ATOM 269 CE LYS A 17 9.121 -5.923 -0.766 1.00 0.00 C ATOM 270 NZ LYS A 17 9.189 -7.338 -0.334 1.00 0.00 N ATOM 0 H LYS A 17 5.636 -2.851 2.133 1.00 0.00 H new ATOM 0 HA LYS A 17 5.809 -3.228 -0.806 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.070 -5.197 1.387 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.058 -5.522 -0.335 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.565 -4.827 1.239 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.035 -6.464 0.905 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.121 -5.968 -1.545 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.711 -4.359 -1.182 1.00 0.00 H new ATOM 0 HE2 LYS A 17 9.580 -5.827 -1.750 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.706 -5.311 -0.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 10.146 -7.708 -0.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.970 -7.402 0.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.499 -7.899 -0.873 1.00 0.00 H new ATOM 284 N VAL A 18 3.444 -2.281 -0.693 1.00 0.00 N ATOM 285 CA VAL A 18 2.051 -1.904 -0.624 1.00 0.00 C ATOM 286 C VAL A 18 1.244 -2.905 -1.414 1.00 0.00 C ATOM 287 O VAL A 18 1.348 -2.974 -2.636 1.00 0.00 O ATOM 288 CB VAL A 18 1.769 -0.447 -1.130 1.00 0.00 C ATOM 289 CG1 VAL A 18 0.359 0.006 -0.779 1.00 0.00 C ATOM 290 CG2 VAL A 18 2.821 0.547 -0.628 1.00 0.00 C ATOM 0 H VAL A 18 3.986 -1.845 -1.439 1.00 0.00 H new ATOM 0 HA VAL A 18 1.758 -1.910 0.426 1.00 0.00 H new ATOM 0 HB VAL A 18 1.843 -0.468 -2.217 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.201 1.020 -1.146 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.365 -0.665 -1.243 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.230 -0.013 0.303 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.587 1.544 -1.002 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.820 0.559 0.462 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.806 0.247 -0.986 1.00 0.00 H new ATOM 300 N TYR A 19 0.535 -3.738 -0.717 1.00 0.00 N ATOM 301 CA TYR A 19 -0.300 -4.712 -1.346 1.00 0.00 C ATOM 302 C TYR A 19 -1.690 -4.188 -1.477 1.00 0.00 C ATOM 303 O TYR A 19 -2.124 -3.341 -0.693 1.00 0.00 O ATOM 304 CB TYR A 19 -0.315 -6.014 -0.578 1.00 0.00 C ATOM 305 CG TYR A 19 0.956 -6.806 -0.655 1.00 0.00 C ATOM 306 CD1 TYR A 19 2.009 -6.569 0.217 1.00 0.00 C ATOM 307 CD2 TYR A 19 1.092 -7.819 -1.593 1.00 0.00 C ATOM 308 CE1 TYR A 19 3.163 -7.322 0.150 1.00 0.00 C ATOM 309 CE2 TYR A 19 2.236 -8.578 -1.665 1.00 0.00 C ATOM 310 CZ TYR A 19 3.270 -8.328 -0.791 1.00 0.00 C ATOM 311 OH TYR A 19 4.419 -9.083 -0.856 1.00 0.00 O ATOM 0 H TYR A 19 0.519 -3.761 0.303 1.00 0.00 H new ATOM 0 HA TYR A 19 0.111 -4.910 -2.336 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.530 -5.799 0.469 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.133 -6.630 -0.951 1.00 0.00 H new ATOM 0 HD1 TYR A 19 1.924 -5.786 0.956 1.00 0.00 H new ATOM 0 HD2 TYR A 19 0.283 -8.015 -2.281 1.00 0.00 H new ATOM 0 HE1 TYR A 19 3.979 -7.126 0.830 1.00 0.00 H new ATOM 0 HE2 TYR A 19 2.323 -9.364 -2.401 1.00 0.00 H new ATOM 0 HH TYR A 19 4.333 -9.748 -1.570 1.00 0.00 H new ATOM 321 N LEU A 20 -2.408 -4.725 -2.427 1.00 0.00 N ATOM 322 CA LEU A 20 -3.751 -4.284 -2.730 1.00 0.00 C ATOM 323 C LEU A 20 -4.755 -4.853 -1.740 1.00 0.00 C ATOM 324 O LEU A 20 -5.947 -4.587 -1.792 1.00 0.00 O ATOM 325 CB LEU A 20 -4.104 -4.605 -4.169 1.00 0.00 C ATOM 326 CG LEU A 20 -3.132 -4.073 -5.214 1.00 0.00 C ATOM 327 CD1 LEU A 20 -3.663 -4.305 -6.604 1.00 0.00 C ATOM 328 CD2 LEU A 20 -2.834 -2.610 -4.965 1.00 0.00 C ATOM 0 H LEU A 20 -2.078 -5.487 -3.019 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.795 -3.200 -2.622 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.170 -5.688 -4.276 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.095 -4.203 -4.381 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.193 -4.621 -5.128 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.953 -3.917 -7.334 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.803 -5.374 -6.766 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.618 -3.792 -6.719 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.138 -2.247 -5.721 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.759 -2.036 -5.018 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.390 -2.492 -3.977 1.00 0.00 H new ATOM 340 N ASP A 21 -4.283 -5.714 -0.907 1.00 0.00 N ATOM 341 CA ASP A 21 -5.101 -6.213 0.193 1.00 0.00 C ATOM 342 C ASP A 21 -5.223 -5.167 1.291 1.00 0.00 C ATOM 343 O ASP A 21 -6.244 -5.122 2.009 1.00 0.00 O ATOM 344 CB ASP A 21 -4.605 -7.534 0.774 1.00 0.00 C ATOM 345 CG ASP A 21 -3.318 -7.444 1.529 1.00 0.00 C ATOM 346 OD1 ASP A 21 -3.329 -7.006 2.684 1.00 0.00 O ATOM 347 OD2 ASP A 21 -2.289 -7.851 0.996 1.00 0.00 O ATOM 0 H ASP A 21 -3.339 -6.099 -0.948 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.084 -6.413 -0.232 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.372 -7.933 1.438 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -4.483 -8.249 -0.039 1.00 0.00 H new ATOM 352 N GLY A 22 -4.229 -4.312 1.401 1.00 0.00 N ATOM 353 CA GLY A 22 -4.264 -3.278 2.388 1.00 0.00 C ATOM 354 C GLY A 22 -3.115 -3.350 3.361 1.00 0.00 C ATOM 355 O GLY A 22 -2.793 -2.355 4.004 1.00 0.00 O ATOM 0 H GLY A 22 -3.393 -4.320 0.817 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -4.251 -2.308 1.890 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -5.203 -3.341 2.938 1.00 0.00 H new ATOM 359 N ASP A 23 -2.527 -4.511 3.511 1.00 0.00 N ATOM 360 CA ASP A 23 -1.390 -4.653 4.403 1.00 0.00 C ATOM 361 C ASP A 23 -0.108 -4.348 3.687 1.00 0.00 C ATOM 362 O ASP A 23 0.233 -4.986 2.682 1.00 0.00 O ATOM 363 CB ASP A 23 -1.310 -6.049 5.042 1.00 0.00 C ATOM 364 CG ASP A 23 -0.043 -6.244 5.882 1.00 0.00 C ATOM 365 OD1 ASP A 23 -0.020 -5.788 7.053 1.00 0.00 O ATOM 366 OD2 ASP A 23 0.927 -6.884 5.407 1.00 0.00 O ATOM 0 H ASP A 23 -2.809 -5.368 3.034 1.00 0.00 H new ATOM 0 HA ASP A 23 -1.537 -3.932 5.207 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -2.186 -6.207 5.671 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -1.341 -6.805 4.258 1.00 0.00 H new ATOM 371 N VAL A 24 0.577 -3.358 4.171 1.00 0.00 N ATOM 372 CA VAL A 24 1.864 -3.021 3.664 1.00 0.00 C ATOM 373 C VAL A 24 2.857 -3.718 4.526 1.00 0.00 C ATOM 374 O VAL A 24 2.932 -3.462 5.737 1.00 0.00 O ATOM 375 CB VAL A 24 2.143 -1.500 3.679 1.00 0.00 C ATOM 376 CG1 VAL A 24 3.483 -1.172 3.037 1.00 0.00 C ATOM 377 CG2 VAL A 24 1.010 -0.746 3.021 1.00 0.00 C ATOM 0 H VAL A 24 0.254 -2.761 4.932 1.00 0.00 H new ATOM 0 HA VAL A 24 1.926 -3.329 2.620 1.00 0.00 H new ATOM 0 HB VAL A 24 2.202 -1.177 4.718 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.646 -0.095 3.065 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.281 -1.674 3.584 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.483 -1.512 2.001 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.224 0.323 3.041 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.905 -1.076 1.987 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.082 -0.940 3.560 1.00 0.00 H new ATOM 387 N SER A 25 3.568 -4.602 3.941 1.00 0.00 N ATOM 388 CA SER A 25 4.512 -5.379 4.644 1.00 0.00 C ATOM 389 C SER A 25 5.809 -4.603 4.742 1.00 0.00 C ATOM 390 O SER A 25 6.376 -4.192 3.728 1.00 0.00 O ATOM 391 CB SER A 25 4.680 -6.697 3.918 1.00 0.00 C ATOM 392 OG SER A 25 3.399 -7.319 3.732 1.00 0.00 O ATOM 0 H SER A 25 3.510 -4.810 2.944 1.00 0.00 H new ATOM 0 HA SER A 25 4.181 -5.593 5.660 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.158 -6.532 2.952 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.334 -7.356 4.489 1.00 0.00 H new ATOM 0 HG SER A 25 2.777 -6.999 4.418 1.00 0.00 H new ATOM 398 N ILE A 26 6.215 -4.341 5.951 1.00 0.00 N ATOM 399 CA ILE A 26 7.412 -3.592 6.214 1.00 0.00 C ATOM 400 C ILE A 26 8.576 -4.553 6.330 1.00 0.00 C ATOM 401 O ILE A 26 8.527 -5.530 7.102 1.00 0.00 O ATOM 402 CB ILE A 26 7.256 -2.726 7.503 1.00 0.00 C ATOM 403 CG1 ILE A 26 6.103 -1.717 7.336 1.00 0.00 C ATOM 404 CG2 ILE A 26 8.546 -2.013 7.883 1.00 0.00 C ATOM 405 CD1 ILE A 26 6.201 -0.847 6.096 1.00 0.00 C ATOM 0 H ILE A 26 5.721 -4.644 6.790 1.00 0.00 H new ATOM 0 HA ILE A 26 7.600 -2.903 5.390 1.00 0.00 H new ATOM 0 HB ILE A 26 7.018 -3.405 8.321 1.00 0.00 H new ATOM 0 HG12 ILE A 26 5.160 -2.264 7.307 1.00 0.00 H new ATOM 0 HG13 ILE A 26 6.071 -1.073 8.215 1.00 0.00 H new ATOM 0 HG21 ILE A 26 8.384 -1.424 8.786 1.00 0.00 H new ATOM 0 HG22 ILE A 26 9.329 -2.749 8.065 1.00 0.00 H new ATOM 0 HG23 ILE A 26 8.850 -1.354 7.070 1.00 0.00 H new ATOM 0 HD11 ILE A 26 5.349 -0.168 6.060 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.125 -0.269 6.129 1.00 0.00 H new ATOM 0 HD13 ILE A 26 6.200 -1.478 5.208 1.00 0.00 H new ATOM 417 N GLU A 27 9.585 -4.315 5.560 1.00 0.00 N ATOM 418 CA GLU A 27 10.712 -5.187 5.507 1.00 0.00 C ATOM 419 C GLU A 27 11.987 -4.418 5.805 1.00 0.00 C ATOM 420 O GLU A 27 12.111 -3.251 5.460 1.00 0.00 O ATOM 421 CB GLU A 27 10.787 -5.796 4.124 1.00 0.00 C ATOM 422 CG GLU A 27 11.868 -6.823 3.960 1.00 0.00 C ATOM 423 CD GLU A 27 11.563 -8.062 4.743 1.00 0.00 C ATOM 424 OE1 GLU A 27 11.895 -8.112 5.948 1.00 0.00 O ATOM 425 OE2 GLU A 27 10.967 -8.999 4.179 1.00 0.00 O ATOM 0 H GLU A 27 9.652 -3.504 4.945 1.00 0.00 H new ATOM 0 HA GLU A 27 10.603 -5.973 6.255 1.00 0.00 H new ATOM 0 HB2 GLU A 27 9.827 -6.255 3.889 1.00 0.00 H new ATOM 0 HB3 GLU A 27 10.945 -4.999 3.397 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.977 -7.074 2.905 1.00 0.00 H new ATOM 0 HG3 GLU A 27 12.821 -6.407 4.289 1.00 0.00 H new ATOM 432 N HIS A 28 12.921 -5.081 6.427 1.00 0.00 N ATOM 433 CA HIS A 28 14.187 -4.497 6.776 1.00 0.00 C ATOM 434 C HIS A 28 15.309 -5.277 6.124 1.00 0.00 C ATOM 435 O HIS A 28 15.393 -6.502 6.250 1.00 0.00 O ATOM 436 CB HIS A 28 14.362 -4.423 8.302 1.00 0.00 C ATOM 437 CG HIS A 28 13.372 -3.506 8.958 1.00 0.00 C ATOM 438 ND1 HIS A 28 12.743 -3.757 10.150 1.00 0.00 N ATOM 439 CD2 HIS A 28 12.931 -2.309 8.553 1.00 0.00 C ATOM 440 CE1 HIS A 28 11.954 -2.722 10.432 1.00 0.00 C ATOM 441 NE2 HIS A 28 12.031 -1.800 9.488 1.00 0.00 N ATOM 0 H HIS A 28 12.824 -6.056 6.710 1.00 0.00 H new ATOM 0 HA HIS A 28 14.217 -3.474 6.402 1.00 0.00 H new ATOM 0 HB2 HIS A 28 14.259 -5.423 8.724 1.00 0.00 H new ATOM 0 HB3 HIS A 28 15.372 -4.083 8.531 1.00 0.00 H new ATOM 0 HD2 HIS A 28 13.227 -1.813 7.641 1.00 0.00 H new ATOM 0 HE1 HIS A 28 11.335 -2.646 11.313 1.00 0.00 H new ATOM 0 HE2 HIS A 28 11.538 -0.908 9.452 1.00 0.00 H new ATOM 449 N LYS A 29 16.120 -4.579 5.392 1.00 0.00 N ATOM 450 CA LYS A 29 17.218 -5.151 4.651 1.00 0.00 C ATOM 451 C LYS A 29 18.501 -4.427 4.976 1.00 0.00 C ATOM 452 O LYS A 29 18.522 -3.233 5.018 1.00 0.00 O ATOM 453 CB LYS A 29 16.927 -4.990 3.158 1.00 0.00 C ATOM 454 CG LYS A 29 15.897 -5.958 2.592 1.00 0.00 C ATOM 455 CD LYS A 29 16.509 -7.315 2.303 1.00 0.00 C ATOM 456 CE LYS A 29 17.512 -7.219 1.150 1.00 0.00 C ATOM 457 NZ LYS A 29 18.226 -8.482 0.916 1.00 0.00 N ATOM 0 H LYS A 29 16.041 -3.568 5.286 1.00 0.00 H new ATOM 0 HA LYS A 29 17.326 -6.203 4.916 1.00 0.00 H new ATOM 0 HB2 LYS A 29 16.582 -3.972 2.979 1.00 0.00 H new ATOM 0 HB3 LYS A 29 17.859 -5.113 2.607 1.00 0.00 H new ATOM 0 HG2 LYS A 29 15.076 -6.071 3.299 1.00 0.00 H new ATOM 0 HG3 LYS A 29 15.474 -5.546 1.676 1.00 0.00 H new ATOM 0 HD2 LYS A 29 17.008 -7.693 3.196 1.00 0.00 H new ATOM 0 HD3 LYS A 29 15.724 -8.028 2.051 1.00 0.00 H new ATOM 0 HE2 LYS A 29 16.987 -6.929 0.240 1.00 0.00 H new ATOM 0 HE3 LYS A 29 18.235 -6.432 1.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 18.892 -8.363 0.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 18.750 -8.748 1.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 17.542 -9.229 0.682 1.00 0.00 H new ATOM 471 N HIS A 30 19.544 -5.141 5.241 1.00 0.00 N ATOM 472 CA HIS A 30 20.835 -4.516 5.437 1.00 0.00 C ATOM 473 C HIS A 30 21.823 -5.074 4.434 1.00 0.00 C ATOM 474 O HIS A 30 22.010 -6.296 4.359 1.00 0.00 O ATOM 475 CB HIS A 30 21.345 -4.633 6.904 1.00 0.00 C ATOM 476 CG HIS A 30 21.490 -6.033 7.455 1.00 0.00 C ATOM 477 ND1 HIS A 30 20.480 -6.709 8.099 1.00 0.00 N ATOM 478 CD2 HIS A 30 22.562 -6.865 7.475 1.00 0.00 C ATOM 479 CE1 HIS A 30 20.946 -7.891 8.486 1.00 0.00 C ATOM 480 NE2 HIS A 30 22.213 -8.043 8.132 1.00 0.00 N ATOM 0 H HIS A 30 19.541 -6.157 5.329 1.00 0.00 H new ATOM 0 HA HIS A 30 20.727 -3.446 5.261 1.00 0.00 H new ATOM 0 HB2 HIS A 30 22.314 -4.138 6.969 1.00 0.00 H new ATOM 0 HB3 HIS A 30 20.661 -4.081 7.549 1.00 0.00 H new ATOM 0 HD2 HIS A 30 23.531 -6.649 7.050 1.00 0.00 H new ATOM 0 HE1 HIS A 30 20.368 -8.631 9.019 1.00 0.00 H new ATOM 0 HE2 HIS A 30 22.809 -8.853 8.304 1.00 0.00 H new ATOM 488 N GLU A 31 22.395 -4.228 3.621 1.00 0.00 N ATOM 489 CA GLU A 31 23.344 -4.686 2.645 1.00 0.00 C ATOM 490 C GLU A 31 24.540 -3.783 2.591 1.00 0.00 C ATOM 491 O GLU A 31 24.432 -2.589 2.811 1.00 0.00 O ATOM 492 CB GLU A 31 22.687 -4.851 1.263 1.00 0.00 C ATOM 493 CG GLU A 31 22.034 -3.608 0.679 1.00 0.00 C ATOM 494 CD GLU A 31 21.207 -3.951 -0.539 1.00 0.00 C ATOM 495 OE1 GLU A 31 20.009 -4.263 -0.383 1.00 0.00 O ATOM 496 OE2 GLU A 31 21.742 -3.984 -1.657 1.00 0.00 O ATOM 0 H GLU A 31 22.221 -3.223 3.615 1.00 0.00 H new ATOM 0 HA GLU A 31 23.695 -5.671 2.953 1.00 0.00 H new ATOM 0 HB2 GLU A 31 23.445 -5.201 0.563 1.00 0.00 H new ATOM 0 HB3 GLU A 31 21.932 -5.634 1.334 1.00 0.00 H new ATOM 0 HG2 GLU A 31 21.401 -3.138 1.432 1.00 0.00 H new ATOM 0 HG3 GLU A 31 22.801 -2.883 0.409 1.00 0.00 H new ATOM 503 N LYS A 32 25.683 -4.367 2.374 1.00 0.00 N ATOM 504 CA LYS A 32 26.880 -3.627 2.200 1.00 0.00 C ATOM 505 C LYS A 32 27.214 -3.584 0.753 1.00 0.00 C ATOM 506 O LYS A 32 27.600 -4.597 0.154 1.00 0.00 O ATOM 507 CB LYS A 32 28.038 -4.200 2.972 1.00 0.00 C ATOM 508 CG LYS A 32 27.991 -3.976 4.469 1.00 0.00 C ATOM 509 CD LYS A 32 29.274 -4.436 5.155 1.00 0.00 C ATOM 510 CE LYS A 32 29.630 -5.859 4.788 1.00 0.00 C ATOM 511 NZ LYS A 32 28.577 -6.832 5.185 1.00 0.00 N ATOM 0 H LYS A 32 25.802 -5.378 2.314 1.00 0.00 H new ATOM 0 HA LYS A 32 26.708 -2.623 2.589 1.00 0.00 H new ATOM 0 HB2 LYS A 32 28.085 -5.272 2.783 1.00 0.00 H new ATOM 0 HB3 LYS A 32 28.961 -3.768 2.585 1.00 0.00 H new ATOM 0 HG2 LYS A 32 27.830 -2.917 4.673 1.00 0.00 H new ATOM 0 HG3 LYS A 32 27.142 -4.514 4.890 1.00 0.00 H new ATOM 0 HD2 LYS A 32 30.093 -3.773 4.876 1.00 0.00 H new ATOM 0 HD3 LYS A 32 29.156 -4.358 6.236 1.00 0.00 H new ATOM 0 HE2 LYS A 32 29.792 -5.923 3.712 1.00 0.00 H new ATOM 0 HE3 LYS A 32 30.570 -6.130 5.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 28.899 -7.798 4.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 28.391 -6.745 6.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 27.704 -6.634 4.656 1.00 0.00 H new ATOM 525 N VAL A 33 27.066 -2.454 0.199 1.00 0.00 N ATOM 526 CA VAL A 33 27.271 -2.275 -1.197 1.00 0.00 C ATOM 527 C VAL A 33 28.482 -1.407 -1.469 1.00 0.00 C ATOM 528 O VAL A 33 28.646 -0.380 -0.860 1.00 0.00 O ATOM 529 CB VAL A 33 25.985 -1.753 -1.890 1.00 0.00 C ATOM 530 CG1 VAL A 33 25.289 -0.703 -1.066 1.00 0.00 C ATOM 531 CG2 VAL A 33 26.282 -1.221 -3.245 1.00 0.00 C ATOM 0 H VAL A 33 26.795 -1.606 0.697 1.00 0.00 H new ATOM 0 HA VAL A 33 27.487 -3.248 -1.638 1.00 0.00 H new ATOM 0 HB VAL A 33 25.313 -2.606 -1.987 1.00 0.00 H new ATOM 0 HG11 VAL A 33 24.394 -0.365 -1.588 1.00 0.00 H new ATOM 0 HG12 VAL A 33 25.009 -1.125 -0.101 1.00 0.00 H new ATOM 0 HG13 VAL A 33 25.960 0.142 -0.912 1.00 0.00 H new ATOM 0 HG21 VAL A 33 25.361 -0.863 -3.705 1.00 0.00 H new ATOM 0 HG22 VAL A 33 26.992 -0.398 -3.165 1.00 0.00 H new ATOM 0 HG23 VAL A 33 26.711 -2.012 -3.860 1.00 0.00 H new ATOM 541 N PHE A 34 29.334 -1.854 -2.357 1.00 0.00 N ATOM 542 CA PHE A 34 30.548 -1.139 -2.671 1.00 0.00 C ATOM 543 C PHE A 34 30.280 0.143 -3.447 1.00 0.00 C ATOM 544 O PHE A 34 30.953 1.130 -3.243 1.00 0.00 O ATOM 545 CB PHE A 34 31.533 -2.027 -3.425 1.00 0.00 C ATOM 546 CG PHE A 34 31.970 -3.241 -2.662 1.00 0.00 C ATOM 547 CD1 PHE A 34 32.698 -3.111 -1.493 1.00 0.00 C ATOM 548 CD2 PHE A 34 31.672 -4.512 -3.123 1.00 0.00 C ATOM 549 CE1 PHE A 34 33.115 -4.225 -0.797 1.00 0.00 C ATOM 550 CE2 PHE A 34 32.085 -5.631 -2.428 1.00 0.00 C ATOM 551 CZ PHE A 34 32.808 -5.487 -1.264 1.00 0.00 C ATOM 0 H PHE A 34 29.208 -2.720 -2.881 1.00 0.00 H new ATOM 0 HA PHE A 34 30.997 -0.854 -1.720 1.00 0.00 H new ATOM 0 HB2 PHE A 34 31.075 -2.345 -4.362 1.00 0.00 H new ATOM 0 HB3 PHE A 34 32.413 -1.438 -3.684 1.00 0.00 H new ATOM 0 HD1 PHE A 34 32.942 -2.127 -1.122 1.00 0.00 H new ATOM 0 HD2 PHE A 34 31.110 -4.629 -4.037 1.00 0.00 H new ATOM 0 HE1 PHE A 34 33.683 -4.110 0.115 1.00 0.00 H new ATOM 0 HE2 PHE A 34 31.842 -6.617 -2.796 1.00 0.00 H new ATOM 0 HZ PHE A 34 33.134 -6.360 -0.718 1.00 0.00 H new ATOM 561 N SER A 35 29.277 0.137 -4.303 1.00 0.00 N ATOM 562 CA SER A 35 28.982 1.294 -5.093 1.00 0.00 C ATOM 563 C SER A 35 27.529 1.630 -4.971 1.00 0.00 C ATOM 564 O SER A 35 26.673 0.835 -5.343 1.00 0.00 O ATOM 565 CB SER A 35 29.353 1.056 -6.561 1.00 0.00 C ATOM 566 OG SER A 35 29.042 2.179 -7.368 1.00 0.00 O ATOM 0 H SER A 35 28.660 -0.659 -4.462 1.00 0.00 H new ATOM 0 HA SER A 35 29.575 2.132 -4.725 1.00 0.00 H new ATOM 0 HB2 SER A 35 30.418 0.837 -6.636 1.00 0.00 H new ATOM 0 HB3 SER A 35 28.821 0.181 -6.934 1.00 0.00 H new ATOM 0 HG SER A 35 29.560 2.953 -7.065 1.00 0.00 H new ATOM 572 N MET A 36 27.241 2.817 -4.478 1.00 0.00 N ATOM 573 CA MET A 36 25.867 3.277 -4.302 1.00 0.00 C ATOM 574 C MET A 36 25.113 3.266 -5.605 1.00 0.00 C ATOM 575 O MET A 36 23.919 3.029 -5.629 1.00 0.00 O ATOM 576 CB MET A 36 25.826 4.667 -3.679 1.00 0.00 C ATOM 577 CG MET A 36 26.108 4.673 -2.194 1.00 0.00 C ATOM 578 SD MET A 36 24.656 5.128 -1.212 1.00 0.00 S ATOM 579 CE MET A 36 23.462 3.898 -1.751 1.00 0.00 C ATOM 0 H MET A 36 27.947 3.493 -4.187 1.00 0.00 H new ATOM 0 HA MET A 36 25.379 2.581 -3.620 1.00 0.00 H new ATOM 0 HB2 MET A 36 26.555 5.303 -4.181 1.00 0.00 H new ATOM 0 HB3 MET A 36 24.844 5.106 -3.856 1.00 0.00 H new ATOM 0 HG2 MET A 36 26.453 3.685 -1.889 1.00 0.00 H new ATOM 0 HG3 MET A 36 26.918 5.372 -1.984 1.00 0.00 H new ATOM 0 HE1 MET A 36 22.541 4.010 -1.179 1.00 0.00 H new ATOM 0 HE2 MET A 36 23.250 4.037 -2.811 1.00 0.00 H new ATOM 0 HE3 MET A 36 23.870 2.900 -1.591 1.00 0.00 H new ATOM 589 N ASP A 37 25.837 3.442 -6.679 1.00 0.00 N ATOM 590 CA ASP A 37 25.260 3.458 -8.022 1.00 0.00 C ATOM 591 C ASP A 37 24.653 2.106 -8.360 1.00 0.00 C ATOM 592 O ASP A 37 23.577 2.034 -8.969 1.00 0.00 O ATOM 593 CB ASP A 37 26.300 3.843 -9.074 1.00 0.00 C ATOM 594 CG ASP A 37 25.724 3.863 -10.476 1.00 0.00 C ATOM 595 OD1 ASP A 37 24.986 4.817 -10.818 1.00 0.00 O ATOM 596 OD2 ASP A 37 25.983 2.923 -11.254 1.00 0.00 O ATOM 0 H ASP A 37 26.847 3.580 -6.660 1.00 0.00 H new ATOM 0 HA ASP A 37 24.474 4.213 -8.031 1.00 0.00 H new ATOM 0 HB2 ASP A 37 26.706 4.826 -8.837 1.00 0.00 H new ATOM 0 HB3 ASP A 37 27.130 3.138 -9.035 1.00 0.00 H new ATOM 601 N ASP A 38 25.311 1.041 -7.896 1.00 0.00 N ATOM 602 CA ASP A 38 24.849 -0.339 -8.117 1.00 0.00 C ATOM 603 C ASP A 38 23.567 -0.543 -7.357 1.00 0.00 C ATOM 604 O ASP A 38 22.619 -1.151 -7.841 1.00 0.00 O ATOM 605 CB ASP A 38 25.886 -1.332 -7.591 1.00 0.00 C ATOM 606 CG ASP A 38 25.541 -2.780 -7.885 1.00 0.00 C ATOM 607 OD1 ASP A 38 24.803 -3.412 -7.104 1.00 0.00 O ATOM 608 OD2 ASP A 38 26.043 -3.319 -8.895 1.00 0.00 O ATOM 0 H ASP A 38 26.175 1.106 -7.359 1.00 0.00 H new ATOM 0 HA ASP A 38 24.700 -0.502 -9.184 1.00 0.00 H new ATOM 0 HB2 ASP A 38 26.855 -1.101 -8.033 1.00 0.00 H new ATOM 0 HB3 ASP A 38 25.988 -1.203 -6.513 1.00 0.00 H new ATOM 613 N PHE A 39 23.546 0.021 -6.169 1.00 0.00 N ATOM 614 CA PHE A 39 22.421 -0.038 -5.286 1.00 0.00 C ATOM 615 C PHE A 39 21.214 0.683 -5.911 1.00 0.00 C ATOM 616 O PHE A 39 20.101 0.162 -5.920 1.00 0.00 O ATOM 617 CB PHE A 39 22.808 0.607 -3.955 1.00 0.00 C ATOM 618 CG PHE A 39 21.722 0.597 -2.935 1.00 0.00 C ATOM 619 CD1 PHE A 39 20.799 1.614 -2.892 1.00 0.00 C ATOM 620 CD2 PHE A 39 21.622 -0.433 -2.027 1.00 0.00 C ATOM 621 CE1 PHE A 39 19.794 1.611 -1.969 1.00 0.00 C ATOM 622 CE2 PHE A 39 20.615 -0.446 -1.091 1.00 0.00 C ATOM 623 CZ PHE A 39 19.694 0.583 -1.064 1.00 0.00 C ATOM 0 H PHE A 39 24.335 0.544 -5.789 1.00 0.00 H new ATOM 0 HA PHE A 39 22.137 -1.077 -5.116 1.00 0.00 H new ATOM 0 HB2 PHE A 39 23.676 0.087 -3.551 1.00 0.00 H new ATOM 0 HB3 PHE A 39 23.111 1.638 -4.138 1.00 0.00 H new ATOM 0 HD1 PHE A 39 20.870 2.427 -3.599 1.00 0.00 H new ATOM 0 HD2 PHE A 39 22.341 -1.238 -2.050 1.00 0.00 H new ATOM 0 HE1 PHE A 39 19.076 2.418 -1.950 1.00 0.00 H new ATOM 0 HE2 PHE A 39 20.544 -1.256 -0.381 1.00 0.00 H new ATOM 0 HZ PHE A 39 18.898 0.579 -0.334 1.00 0.00 H new ATOM 633 N TRP A 40 21.448 1.879 -6.441 1.00 0.00 N ATOM 634 CA TRP A 40 20.381 2.651 -7.073 1.00 0.00 C ATOM 635 C TRP A 40 19.853 1.918 -8.287 1.00 0.00 C ATOM 636 O TRP A 40 18.665 1.883 -8.524 1.00 0.00 O ATOM 637 CB TRP A 40 20.840 4.066 -7.461 1.00 0.00 C ATOM 638 CG TRP A 40 21.362 4.883 -6.312 1.00 0.00 C ATOM 639 CD1 TRP A 40 22.530 5.592 -6.276 1.00 0.00 C ATOM 640 CD2 TRP A 40 20.755 5.054 -5.025 1.00 0.00 C ATOM 641 NE1 TRP A 40 22.697 6.167 -5.044 1.00 0.00 N ATOM 642 CE2 TRP A 40 21.616 5.859 -4.262 1.00 0.00 C ATOM 643 CE3 TRP A 40 19.566 4.601 -4.443 1.00 0.00 C ATOM 644 CZ2 TRP A 40 21.328 6.210 -2.956 1.00 0.00 C ATOM 645 CZ3 TRP A 40 19.287 4.955 -3.153 1.00 0.00 C ATOM 646 CH2 TRP A 40 20.160 5.743 -2.422 1.00 0.00 C ATOM 0 H TRP A 40 22.361 2.334 -6.446 1.00 0.00 H new ATOM 0 HA TRP A 40 19.581 2.760 -6.341 1.00 0.00 H new ATOM 0 HB2 TRP A 40 21.619 3.988 -8.219 1.00 0.00 H new ATOM 0 HB3 TRP A 40 20.003 4.595 -7.917 1.00 0.00 H new ATOM 0 HD1 TRP A 40 23.222 5.685 -7.100 1.00 0.00 H new ATOM 0 HE1 TRP A 40 23.496 6.732 -4.756 1.00 0.00 H new ATOM 0 HE3 TRP A 40 18.881 3.982 -5.003 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 22.000 6.829 -2.380 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 18.370 4.614 -2.696 1.00 0.00 H new ATOM 0 HH2 TRP A 40 19.911 5.995 -1.402 1.00 0.00 H new ATOM 657 N ALA A 41 20.749 1.287 -9.009 1.00 0.00 N ATOM 658 CA ALA A 41 20.387 0.513 -10.182 1.00 0.00 C ATOM 659 C ALA A 41 19.583 -0.715 -9.773 1.00 0.00 C ATOM 660 O ALA A 41 18.673 -1.147 -10.491 1.00 0.00 O ATOM 661 CB ALA A 41 21.630 0.120 -10.968 1.00 0.00 C ATOM 0 H ALA A 41 21.748 1.293 -8.804 1.00 0.00 H new ATOM 0 HA ALA A 41 19.763 1.128 -10.831 1.00 0.00 H new ATOM 0 HB1 ALA A 41 21.338 -0.460 -11.844 1.00 0.00 H new ATOM 0 HB2 ALA A 41 22.158 1.019 -11.287 1.00 0.00 H new ATOM 0 HB3 ALA A 41 22.285 -0.481 -10.337 1.00 0.00 H new ATOM 667 N ALA A 42 19.897 -1.246 -8.606 1.00 0.00 N ATOM 668 CA ALA A 42 19.209 -2.393 -8.057 1.00 0.00 C ATOM 669 C ALA A 42 17.766 -2.056 -7.701 1.00 0.00 C ATOM 670 O ALA A 42 16.860 -2.847 -7.942 1.00 0.00 O ATOM 671 CB ALA A 42 19.948 -2.926 -6.832 1.00 0.00 C ATOM 0 H ALA A 42 20.643 -0.888 -8.010 1.00 0.00 H new ATOM 0 HA ALA A 42 19.194 -3.169 -8.822 1.00 0.00 H new ATOM 0 HB1 ALA A 42 19.415 -3.789 -6.433 1.00 0.00 H new ATOM 0 HB2 ALA A 42 20.958 -3.223 -7.117 1.00 0.00 H new ATOM 0 HB3 ALA A 42 20.000 -2.147 -6.071 1.00 0.00 H new ATOM 677 N TYR A 43 17.550 -0.874 -7.155 1.00 0.00 N ATOM 678 CA TYR A 43 16.236 -0.483 -6.728 1.00 0.00 C ATOM 679 C TYR A 43 15.653 0.560 -7.653 1.00 0.00 C ATOM 680 O TYR A 43 14.715 1.280 -7.280 1.00 0.00 O ATOM 681 CB TYR A 43 16.276 0.014 -5.283 1.00 0.00 C ATOM 682 CG TYR A 43 16.682 -1.060 -4.282 1.00 0.00 C ATOM 683 CD1 TYR A 43 18.018 -1.330 -3.997 1.00 0.00 C ATOM 684 CD2 TYR A 43 15.721 -1.816 -3.647 1.00 0.00 C ATOM 685 CE1 TYR A 43 18.369 -2.327 -3.102 1.00 0.00 C ATOM 686 CE2 TYR A 43 16.056 -2.810 -2.762 1.00 0.00 C ATOM 687 CZ TYR A 43 17.380 -3.064 -2.487 1.00 0.00 C ATOM 688 OH TYR A 43 17.707 -4.086 -1.620 1.00 0.00 O ATOM 0 H TYR A 43 18.274 -0.173 -7.000 1.00 0.00 H new ATOM 0 HA TYR A 43 15.584 -1.355 -6.770 1.00 0.00 H new ATOM 0 HB2 TYR A 43 16.975 0.847 -5.213 1.00 0.00 H new ATOM 0 HB3 TYR A 43 15.293 0.399 -5.012 1.00 0.00 H new ATOM 0 HD1 TYR A 43 18.792 -0.753 -4.481 1.00 0.00 H new ATOM 0 HD2 TYR A 43 14.678 -1.622 -3.851 1.00 0.00 H new ATOM 0 HE1 TYR A 43 19.409 -2.525 -2.888 1.00 0.00 H new ATOM 0 HE2 TYR A 43 15.282 -3.391 -2.283 1.00 0.00 H new ATOM 0 HH TYR A 43 18.559 -3.883 -1.181 1.00 0.00 H new ATOM 698 N ALA A 44 16.209 0.651 -8.858 1.00 0.00 N ATOM 699 CA ALA A 44 15.692 1.513 -9.898 1.00 0.00 C ATOM 700 C ALA A 44 14.346 1.018 -10.403 1.00 0.00 C ATOM 701 O ALA A 44 14.234 0.370 -11.456 1.00 0.00 O ATOM 702 CB ALA A 44 16.653 1.659 -11.049 1.00 0.00 C ATOM 0 H ALA A 44 17.036 0.122 -9.135 1.00 0.00 H new ATOM 0 HA ALA A 44 15.561 2.497 -9.448 1.00 0.00 H new ATOM 0 HB1 ALA A 44 16.220 2.315 -11.804 1.00 0.00 H new ATOM 0 HB2 ALA A 44 17.589 2.087 -10.690 1.00 0.00 H new ATOM 0 HB3 ALA A 44 16.847 0.680 -11.487 1.00 0.00 H new ATOM 708 N GLY A 45 13.375 1.258 -9.615 1.00 0.00 N ATOM 709 CA GLY A 45 12.040 0.878 -9.903 1.00 0.00 C ATOM 710 C GLY A 45 11.189 1.079 -8.685 1.00 0.00 C ATOM 711 O GLY A 45 10.053 1.515 -8.776 1.00 0.00 O ATOM 0 H GLY A 45 13.483 1.739 -8.722 1.00 0.00 H new ATOM 0 HA2 GLY A 45 11.653 1.470 -10.732 1.00 0.00 H new ATOM 0 HA3 GLY A 45 12.007 -0.166 -10.215 1.00 0.00 H new ATOM 715 N TRP A 46 11.754 0.738 -7.524 1.00 0.00 N ATOM 716 CA TRP A 46 11.131 0.993 -6.241 1.00 0.00 C ATOM 717 C TRP A 46 11.032 2.513 -6.071 1.00 0.00 C ATOM 718 O TRP A 46 11.853 3.248 -6.629 1.00 0.00 O ATOM 719 CB TRP A 46 12.031 0.467 -5.113 1.00 0.00 C ATOM 720 CG TRP A 46 12.410 -0.982 -5.154 1.00 0.00 C ATOM 721 CD1 TRP A 46 13.161 -1.616 -6.094 1.00 0.00 C ATOM 722 CD2 TRP A 46 12.108 -1.963 -4.171 1.00 0.00 C ATOM 723 NE1 TRP A 46 13.304 -2.934 -5.775 1.00 0.00 N ATOM 724 CE2 TRP A 46 12.670 -3.177 -4.600 1.00 0.00 C ATOM 725 CE3 TRP A 46 11.405 -1.937 -2.981 1.00 0.00 C ATOM 726 CZ2 TRP A 46 12.546 -4.352 -3.877 1.00 0.00 C ATOM 727 CZ3 TRP A 46 11.280 -3.101 -2.267 1.00 0.00 C ATOM 728 CH2 TRP A 46 11.847 -4.292 -2.713 1.00 0.00 C ATOM 0 H TRP A 46 12.661 0.276 -7.457 1.00 0.00 H new ATOM 0 HA TRP A 46 10.156 0.508 -6.200 1.00 0.00 H new ATOM 0 HB2 TRP A 46 12.948 1.055 -5.112 1.00 0.00 H new ATOM 0 HB3 TRP A 46 11.529 0.657 -4.165 1.00 0.00 H new ATOM 0 HD1 TRP A 46 13.584 -1.143 -6.968 1.00 0.00 H new ATOM 0 HE1 TRP A 46 13.807 -3.626 -6.330 1.00 0.00 H new ATOM 0 HE3 TRP A 46 10.964 -1.019 -2.621 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 12.986 -5.276 -4.223 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 10.729 -3.094 -1.338 1.00 0.00 H new ATOM 0 HH2 TRP A 46 11.729 -5.188 -2.121 1.00 0.00 H new ATOM 739 N THR A 47 10.068 2.982 -5.337 1.00 0.00 N ATOM 740 CA THR A 47 9.927 4.378 -5.105 1.00 0.00 C ATOM 741 C THR A 47 10.837 4.789 -3.936 1.00 0.00 C ATOM 742 O THR A 47 10.673 4.284 -2.815 1.00 0.00 O ATOM 743 CB THR A 47 8.469 4.666 -4.750 1.00 0.00 C ATOM 744 OG1 THR A 47 7.611 4.098 -5.747 1.00 0.00 O ATOM 745 CG2 THR A 47 8.208 6.151 -4.635 1.00 0.00 C ATOM 0 H THR A 47 9.360 2.403 -4.885 1.00 0.00 H new ATOM 0 HA THR A 47 10.209 4.942 -5.994 1.00 0.00 H new ATOM 0 HB THR A 47 8.261 4.214 -3.780 1.00 0.00 H new ATOM 0 HG1 THR A 47 6.676 4.282 -5.517 1.00 0.00 H new ATOM 0 HG21 THR A 47 7.161 6.318 -4.382 1.00 0.00 H new ATOM 0 HG22 THR A 47 8.842 6.572 -3.855 1.00 0.00 H new ATOM 0 HG23 THR A 47 8.433 6.635 -5.586 1.00 0.00 H new ATOM 753 N LEU A 48 11.827 5.635 -4.215 1.00 0.00 N ATOM 754 CA LEU A 48 12.726 6.145 -3.192 1.00 0.00 C ATOM 755 C LEU A 48 11.952 7.146 -2.372 1.00 0.00 C ATOM 756 O LEU A 48 11.597 8.220 -2.858 1.00 0.00 O ATOM 757 CB LEU A 48 13.996 6.769 -3.863 1.00 0.00 C ATOM 758 CG LEU A 48 15.209 7.219 -2.978 1.00 0.00 C ATOM 759 CD1 LEU A 48 15.003 8.551 -2.289 1.00 0.00 C ATOM 760 CD2 LEU A 48 15.548 6.178 -1.945 1.00 0.00 C ATOM 0 H LEU A 48 12.025 5.982 -5.153 1.00 0.00 H new ATOM 0 HA LEU A 48 13.084 5.351 -2.536 1.00 0.00 H new ATOM 0 HB2 LEU A 48 14.372 6.042 -4.583 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.668 7.640 -4.430 1.00 0.00 H new ATOM 0 HG LEU A 48 16.038 7.338 -3.676 1.00 0.00 H new ATOM 0 HD11 LEU A 48 15.885 8.794 -1.696 1.00 0.00 H new ATOM 0 HD12 LEU A 48 14.844 9.327 -3.038 1.00 0.00 H new ATOM 0 HD13 LEU A 48 14.132 8.492 -1.637 1.00 0.00 H new ATOM 0 HD21 LEU A 48 16.393 6.520 -1.348 1.00 0.00 H new ATOM 0 HD22 LEU A 48 14.687 6.015 -1.296 1.00 0.00 H new ATOM 0 HD23 LEU A 48 15.809 5.244 -2.442 1.00 0.00 H new ATOM 772 N VAL A 49 11.639 6.767 -1.166 1.00 0.00 N ATOM 773 CA VAL A 49 10.848 7.593 -0.304 1.00 0.00 C ATOM 774 C VAL A 49 11.750 8.526 0.488 1.00 0.00 C ATOM 775 O VAL A 49 11.478 9.719 0.587 1.00 0.00 O ATOM 776 CB VAL A 49 9.932 6.734 0.617 1.00 0.00 C ATOM 777 CG1 VAL A 49 9.134 7.589 1.574 1.00 0.00 C ATOM 778 CG2 VAL A 49 8.993 5.903 -0.233 1.00 0.00 C ATOM 0 H VAL A 49 11.925 5.878 -0.755 1.00 0.00 H new ATOM 0 HA VAL A 49 10.184 8.206 -0.912 1.00 0.00 H new ATOM 0 HB VAL A 49 10.573 6.083 1.211 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.509 6.950 2.198 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.814 8.159 2.206 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.503 8.275 1.009 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.353 5.302 0.413 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.376 6.562 -0.844 1.00 0.00 H new ATOM 0 HG23 VAL A 49 9.574 5.246 -0.880 1.00 0.00 H new ATOM 788 N GLU A 50 12.828 7.991 1.034 1.00 0.00 N ATOM 789 CA GLU A 50 13.807 8.812 1.721 1.00 0.00 C ATOM 790 C GLU A 50 15.118 8.078 1.794 1.00 0.00 C ATOM 791 O GLU A 50 15.152 6.860 1.687 1.00 0.00 O ATOM 792 CB GLU A 50 13.349 9.187 3.148 1.00 0.00 C ATOM 793 CG GLU A 50 13.160 8.007 4.068 1.00 0.00 C ATOM 794 CD GLU A 50 12.764 8.403 5.466 1.00 0.00 C ATOM 795 OE1 GLU A 50 11.595 8.757 5.690 1.00 0.00 O ATOM 796 OE2 GLU A 50 13.604 8.366 6.375 1.00 0.00 O ATOM 0 H GLU A 50 13.046 6.995 1.015 1.00 0.00 H new ATOM 0 HA GLU A 50 13.921 9.736 1.153 1.00 0.00 H new ATOM 0 HB2 GLU A 50 14.084 9.862 3.587 1.00 0.00 H new ATOM 0 HB3 GLU A 50 12.410 9.737 3.083 1.00 0.00 H new ATOM 0 HG2 GLU A 50 12.396 7.350 3.653 1.00 0.00 H new ATOM 0 HG3 GLU A 50 14.086 7.434 4.108 1.00 0.00 H new ATOM 803 N GLN A 51 16.178 8.804 1.902 1.00 0.00 N ATOM 804 CA GLN A 51 17.465 8.247 2.154 1.00 0.00 C ATOM 805 C GLN A 51 18.275 9.167 3.043 1.00 0.00 C ATOM 806 O GLN A 51 18.227 10.390 2.911 1.00 0.00 O ATOM 807 CB GLN A 51 18.218 7.958 0.882 1.00 0.00 C ATOM 808 CG GLN A 51 18.504 9.159 0.022 1.00 0.00 C ATOM 809 CD GLN A 51 19.401 8.785 -1.093 1.00 0.00 C ATOM 810 OE1 GLN A 51 20.628 8.857 -0.981 1.00 0.00 O ATOM 811 NE2 GLN A 51 18.824 8.351 -2.163 1.00 0.00 N ATOM 0 H GLN A 51 16.175 9.820 1.816 1.00 0.00 H new ATOM 0 HA GLN A 51 17.310 7.297 2.665 1.00 0.00 H new ATOM 0 HB2 GLN A 51 19.164 7.481 1.139 1.00 0.00 H new ATOM 0 HB3 GLN A 51 17.647 7.238 0.296 1.00 0.00 H new ATOM 0 HG2 GLN A 51 17.572 9.564 -0.371 1.00 0.00 H new ATOM 0 HG3 GLN A 51 18.965 9.944 0.622 1.00 0.00 H new ATOM 0 HE21 GLN A 51 17.806 8.308 -2.212 1.00 0.00 H new ATOM 0 HE22 GLN A 51 19.386 8.051 -2.959 1.00 0.00 H new ATOM 820 N LYS A 52 18.969 8.579 3.954 1.00 0.00 N ATOM 821 CA LYS A 52 19.816 9.296 4.891 1.00 0.00 C ATOM 822 C LYS A 52 21.047 8.483 5.235 1.00 0.00 C ATOM 823 O LYS A 52 20.953 7.486 5.952 1.00 0.00 O ATOM 824 CB LYS A 52 19.005 9.651 6.135 1.00 0.00 C ATOM 825 CG LYS A 52 18.108 8.516 6.600 1.00 0.00 C ATOM 826 CD LYS A 52 17.097 8.933 7.626 1.00 0.00 C ATOM 827 CE LYS A 52 16.190 9.988 7.066 1.00 0.00 C ATOM 828 NZ LYS A 52 14.971 10.161 7.865 1.00 0.00 N ATOM 0 H LYS A 52 18.976 7.568 4.086 1.00 0.00 H new ATOM 0 HA LYS A 52 20.166 10.220 4.431 1.00 0.00 H new ATOM 0 HB2 LYS A 52 19.686 9.923 6.941 1.00 0.00 H new ATOM 0 HB3 LYS A 52 18.393 10.528 5.925 1.00 0.00 H new ATOM 0 HG2 LYS A 52 17.588 8.098 5.738 1.00 0.00 H new ATOM 0 HG3 LYS A 52 18.727 7.721 7.014 1.00 0.00 H new ATOM 0 HD2 LYS A 52 16.511 8.070 7.940 1.00 0.00 H new ATOM 0 HD3 LYS A 52 17.604 9.313 8.512 1.00 0.00 H new ATOM 0 HE2 LYS A 52 16.726 10.936 7.017 1.00 0.00 H new ATOM 0 HE3 LYS A 52 15.917 9.723 6.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 14.570 11.104 7.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 14.277 9.433 7.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 15.202 10.069 8.875 1.00 0.00 H new ATOM 842 N LYS A 53 22.200 8.931 4.727 1.00 0.00 N ATOM 843 CA LYS A 53 23.472 8.286 4.841 1.00 0.00 C ATOM 844 C LYS A 53 23.436 6.868 4.303 1.00 0.00 C ATOM 845 O LYS A 53 23.721 6.624 3.126 1.00 0.00 O ATOM 846 CB LYS A 53 24.006 8.395 6.275 1.00 0.00 C ATOM 847 CG LYS A 53 25.520 8.300 6.411 1.00 0.00 C ATOM 848 CD LYS A 53 26.104 6.921 6.105 1.00 0.00 C ATOM 849 CE LYS A 53 25.613 5.870 7.086 1.00 0.00 C ATOM 850 NZ LYS A 53 26.218 4.540 6.864 1.00 0.00 N ATOM 0 H LYS A 53 22.252 9.803 4.200 1.00 0.00 H new ATOM 0 HA LYS A 53 24.188 8.809 4.207 1.00 0.00 H new ATOM 0 HB2 LYS A 53 23.678 9.345 6.697 1.00 0.00 H new ATOM 0 HB3 LYS A 53 23.553 7.606 6.876 1.00 0.00 H new ATOM 0 HG2 LYS A 53 25.978 9.030 5.743 1.00 0.00 H new ATOM 0 HG3 LYS A 53 25.798 8.580 7.427 1.00 0.00 H new ATOM 0 HD2 LYS A 53 25.831 6.628 5.091 1.00 0.00 H new ATOM 0 HD3 LYS A 53 27.192 6.971 6.140 1.00 0.00 H new ATOM 0 HE2 LYS A 53 25.835 6.198 8.102 1.00 0.00 H new ATOM 0 HE3 LYS A 53 24.529 5.787 7.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 25.844 3.867 7.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 25.986 4.208 5.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 27.251 4.607 6.966 1.00 0.00 H new ATOM 864 N GLY A 54 23.036 5.987 5.134 1.00 0.00 N ATOM 865 CA GLY A 54 23.001 4.619 4.804 1.00 0.00 C ATOM 866 C GLY A 54 21.663 4.006 5.046 1.00 0.00 C ATOM 867 O GLY A 54 21.498 2.853 4.835 1.00 0.00 O ATOM 0 H GLY A 54 22.718 6.200 6.080 1.00 0.00 H new ATOM 0 HA2 GLY A 54 23.269 4.495 3.755 1.00 0.00 H new ATOM 0 HA3 GLY A 54 23.751 4.088 5.390 1.00 0.00 H new ATOM 871 N TYR A 55 20.702 4.749 5.512 1.00 0.00 N ATOM 872 CA TYR A 55 19.412 4.195 5.654 1.00 0.00 C ATOM 873 C TYR A 55 18.604 4.666 4.478 1.00 0.00 C ATOM 874 O TYR A 55 18.493 5.865 4.238 1.00 0.00 O ATOM 875 CB TYR A 55 18.791 4.597 7.000 1.00 0.00 C ATOM 876 CG TYR A 55 17.302 4.396 7.081 1.00 0.00 C ATOM 877 CD1 TYR A 55 16.467 5.407 6.687 1.00 0.00 C ATOM 878 CD2 TYR A 55 16.744 3.218 7.534 1.00 0.00 C ATOM 879 CE1 TYR A 55 15.105 5.277 6.729 1.00 0.00 C ATOM 880 CE2 TYR A 55 15.373 3.062 7.586 1.00 0.00 C ATOM 881 CZ TYR A 55 14.555 4.099 7.179 1.00 0.00 C ATOM 882 OH TYR A 55 13.181 3.958 7.234 1.00 0.00 O ATOM 0 H TYR A 55 20.796 5.725 5.793 1.00 0.00 H new ATOM 0 HA TYR A 55 19.443 3.105 5.662 1.00 0.00 H new ATOM 0 HB2 TYR A 55 19.267 4.020 7.793 1.00 0.00 H new ATOM 0 HB3 TYR A 55 19.015 5.647 7.191 1.00 0.00 H new ATOM 0 HD1 TYR A 55 16.895 6.333 6.333 1.00 0.00 H new ATOM 0 HD2 TYR A 55 17.386 2.410 7.851 1.00 0.00 H new ATOM 0 HE1 TYR A 55 14.469 6.090 6.412 1.00 0.00 H new ATOM 0 HE2 TYR A 55 14.943 2.137 7.942 1.00 0.00 H new ATOM 0 HH TYR A 55 12.957 3.066 7.573 1.00 0.00 H new ATOM 892 N VAL A 56 18.087 3.756 3.733 1.00 0.00 N ATOM 893 CA VAL A 56 17.348 4.093 2.570 1.00 0.00 C ATOM 894 C VAL A 56 15.977 3.449 2.637 1.00 0.00 C ATOM 895 O VAL A 56 15.849 2.281 2.930 1.00 0.00 O ATOM 896 CB VAL A 56 18.097 3.673 1.272 1.00 0.00 C ATOM 897 CG1 VAL A 56 17.279 4.014 0.071 1.00 0.00 C ATOM 898 CG2 VAL A 56 19.447 4.372 1.163 1.00 0.00 C ATOM 0 H VAL A 56 18.164 2.755 3.913 1.00 0.00 H new ATOM 0 HA VAL A 56 17.234 5.176 2.535 1.00 0.00 H new ATOM 0 HB VAL A 56 18.259 2.596 1.319 1.00 0.00 H new ATOM 0 HG11 VAL A 56 17.814 3.715 -0.830 1.00 0.00 H new ATOM 0 HG12 VAL A 56 16.326 3.487 0.119 1.00 0.00 H new ATOM 0 HG13 VAL A 56 17.099 5.089 0.047 1.00 0.00 H new ATOM 0 HG21 VAL A 56 19.946 4.058 0.246 1.00 0.00 H new ATOM 0 HG22 VAL A 56 19.297 5.451 1.144 1.00 0.00 H new ATOM 0 HG23 VAL A 56 20.064 4.107 2.021 1.00 0.00 H new ATOM 908 N LEU A 57 14.975 4.221 2.418 1.00 0.00 N ATOM 909 CA LEU A 57 13.626 3.747 2.448 1.00 0.00 C ATOM 910 C LEU A 57 13.015 3.734 1.042 1.00 0.00 C ATOM 911 O LEU A 57 12.915 4.783 0.370 1.00 0.00 O ATOM 912 CB LEU A 57 12.817 4.578 3.466 1.00 0.00 C ATOM 913 CG LEU A 57 11.288 4.575 3.364 1.00 0.00 C ATOM 914 CD1 LEU A 57 10.689 3.217 3.321 1.00 0.00 C ATOM 915 CD2 LEU A 57 10.651 5.407 4.451 1.00 0.00 C ATOM 0 H LEU A 57 15.063 5.216 2.209 1.00 0.00 H new ATOM 0 HA LEU A 57 13.601 2.710 2.783 1.00 0.00 H new ATOM 0 HB2 LEU A 57 13.083 4.229 4.464 1.00 0.00 H new ATOM 0 HB3 LEU A 57 13.152 5.612 3.390 1.00 0.00 H new ATOM 0 HG LEU A 57 11.069 5.035 2.400 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.605 3.300 3.249 1.00 0.00 H new ATOM 0 HD12 LEU A 57 11.070 2.678 2.453 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.952 2.674 4.229 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.567 5.378 4.343 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.929 5.007 5.426 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.997 6.438 4.370 1.00 0.00 H new ATOM 927 N PHE A 58 12.637 2.543 0.613 1.00 0.00 N ATOM 928 CA PHE A 58 12.008 2.298 -0.678 1.00 0.00 C ATOM 929 C PHE A 58 10.677 1.609 -0.510 1.00 0.00 C ATOM 930 O PHE A 58 10.486 0.809 0.399 1.00 0.00 O ATOM 931 CB PHE A 58 12.867 1.387 -1.567 1.00 0.00 C ATOM 932 CG PHE A 58 13.951 2.039 -2.359 1.00 0.00 C ATOM 933 CD1 PHE A 58 13.645 2.701 -3.524 1.00 0.00 C ATOM 934 CD2 PHE A 58 15.261 1.958 -1.976 1.00 0.00 C ATOM 935 CE1 PHE A 58 14.621 3.283 -4.291 1.00 0.00 C ATOM 936 CE2 PHE A 58 16.250 2.536 -2.743 1.00 0.00 C ATOM 937 CZ PHE A 58 15.930 3.203 -3.900 1.00 0.00 C ATOM 0 H PHE A 58 12.761 1.695 1.166 1.00 0.00 H new ATOM 0 HA PHE A 58 11.887 3.277 -1.143 1.00 0.00 H new ATOM 0 HB2 PHE A 58 13.322 0.626 -0.933 1.00 0.00 H new ATOM 0 HB3 PHE A 58 12.205 0.869 -2.261 1.00 0.00 H new ATOM 0 HD1 PHE A 58 12.615 2.764 -3.842 1.00 0.00 H new ATOM 0 HD2 PHE A 58 15.523 1.438 -1.066 1.00 0.00 H new ATOM 0 HE1 PHE A 58 14.358 3.803 -5.200 1.00 0.00 H new ATOM 0 HE2 PHE A 58 17.282 2.464 -2.432 1.00 0.00 H new ATOM 0 HZ PHE A 58 16.705 3.661 -4.497 1.00 0.00 H new ATOM 947 N ARG A 59 9.767 1.907 -1.383 1.00 0.00 N ATOM 948 CA ARG A 59 8.528 1.194 -1.410 1.00 0.00 C ATOM 949 C ARG A 59 8.335 0.561 -2.755 1.00 0.00 C ATOM 950 O ARG A 59 8.643 1.157 -3.791 1.00 0.00 O ATOM 951 CB ARG A 59 7.314 2.053 -1.034 1.00 0.00 C ATOM 952 CG ARG A 59 7.031 3.229 -1.937 1.00 0.00 C ATOM 953 CD ARG A 59 5.796 3.970 -1.487 1.00 0.00 C ATOM 954 NE ARG A 59 5.864 4.306 -0.060 1.00 0.00 N ATOM 955 CZ ARG A 59 5.032 5.107 0.606 1.00 0.00 C ATOM 956 NH1 ARG A 59 4.020 5.723 -0.011 1.00 0.00 N ATOM 957 NH2 ARG A 59 5.212 5.264 1.901 1.00 0.00 N ATOM 0 H ARG A 59 9.858 2.639 -2.087 1.00 0.00 H new ATOM 0 HA ARG A 59 8.593 0.423 -0.643 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.432 1.413 -1.017 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.457 2.425 -0.020 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.886 3.906 -1.938 1.00 0.00 H new ATOM 0 HG3 ARG A 59 6.898 2.882 -2.962 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.684 4.883 -2.072 1.00 0.00 H new ATOM 0 HD3 ARG A 59 4.914 3.359 -1.677 1.00 0.00 H new ATOM 0 HE ARG A 59 6.623 3.885 0.475 1.00 0.00 H new ATOM 0 HH11 ARG A 59 3.872 5.585 -1.011 1.00 0.00 H new ATOM 0 HH12 ARG A 59 3.395 6.332 0.518 1.00 0.00 H new ATOM 0 HH21 ARG A 59 5.975 4.778 2.372 1.00 0.00 H new ATOM 0 HH22 ARG A 59 4.589 5.872 2.433 1.00 0.00 H new ATOM 971 N LYS A 60 7.889 -0.639 -2.733 1.00 0.00 N ATOM 972 CA LYS A 60 7.559 -1.371 -3.913 1.00 0.00 C ATOM 973 C LYS A 60 6.179 -1.921 -3.727 1.00 0.00 C ATOM 974 O LYS A 60 5.927 -2.738 -2.835 1.00 0.00 O ATOM 975 CB LYS A 60 8.552 -2.505 -4.151 1.00 0.00 C ATOM 976 CG LYS A 60 8.222 -3.445 -5.301 1.00 0.00 C ATOM 977 CD LYS A 60 8.501 -2.835 -6.666 1.00 0.00 C ATOM 978 CE LYS A 60 9.986 -2.687 -6.925 1.00 0.00 C ATOM 979 NZ LYS A 60 10.253 -2.371 -8.336 1.00 0.00 N ATOM 0 H LYS A 60 7.736 -1.162 -1.871 1.00 0.00 H new ATOM 0 HA LYS A 60 7.603 -0.717 -4.784 1.00 0.00 H new ATOM 0 HB2 LYS A 60 9.535 -2.070 -4.333 1.00 0.00 H new ATOM 0 HB3 LYS A 60 8.629 -3.093 -3.237 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.803 -4.361 -5.193 1.00 0.00 H new ATOM 0 HG3 LYS A 60 7.170 -3.726 -5.243 1.00 0.00 H new ATOM 0 HD2 LYS A 60 8.058 -3.461 -7.441 1.00 0.00 H new ATOM 0 HD3 LYS A 60 8.022 -1.858 -6.732 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.391 -1.899 -6.291 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.499 -3.610 -6.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 11.278 -2.276 -8.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 9.887 -3.136 -8.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 9.783 -1.478 -8.587 1.00 0.00 H new ATOM 993 N GLN A 61 5.293 -1.450 -4.501 1.00 0.00 N ATOM 994 CA GLN A 61 3.961 -1.883 -4.436 1.00 0.00 C ATOM 995 C GLN A 61 3.638 -2.678 -5.658 1.00 0.00 C ATOM 996 O GLN A 61 3.800 -2.221 -6.793 1.00 0.00 O ATOM 997 CB GLN A 61 3.037 -0.724 -4.157 1.00 0.00 C ATOM 998 CG GLN A 61 3.135 0.432 -5.090 1.00 0.00 C ATOM 999 CD GLN A 61 2.400 1.625 -4.558 1.00 0.00 C ATOM 1000 OE1 GLN A 61 1.214 1.827 -4.810 1.00 0.00 O ATOM 1001 NE2 GLN A 61 3.106 2.423 -3.799 1.00 0.00 N ATOM 0 H GLN A 61 5.473 -0.740 -5.211 1.00 0.00 H new ATOM 0 HA GLN A 61 3.811 -2.558 -3.594 1.00 0.00 H new ATOM 0 HB2 GLN A 61 2.011 -1.092 -4.173 1.00 0.00 H new ATOM 0 HB3 GLN A 61 3.231 -0.366 -3.146 1.00 0.00 H new ATOM 0 HG2 GLN A 61 4.183 0.688 -5.247 1.00 0.00 H new ATOM 0 HG3 GLN A 61 2.726 0.154 -6.061 1.00 0.00 H new ATOM 0 HE21 GLN A 61 4.088 2.216 -3.616 1.00 0.00 H new ATOM 0 HE22 GLN A 61 2.674 3.252 -3.390 1.00 0.00 H new ATOM 1010 N MET A 62 3.242 -3.878 -5.420 1.00 0.00 N ATOM 1011 CA MET A 62 3.095 -4.852 -6.452 1.00 0.00 C ATOM 1012 C MET A 62 1.667 -5.057 -6.840 1.00 0.00 C ATOM 1013 O MET A 62 0.744 -4.733 -6.089 1.00 0.00 O ATOM 1014 CB MET A 62 3.768 -6.149 -6.021 1.00 0.00 C ATOM 1015 CG MET A 62 5.287 -6.055 -6.040 1.00 0.00 C ATOM 1016 SD MET A 62 6.105 -7.347 -5.093 1.00 0.00 S ATOM 1017 CE MET A 62 5.678 -6.838 -3.422 1.00 0.00 C ATOM 0 H MET A 62 3.006 -4.220 -4.488 1.00 0.00 H new ATOM 0 HA MET A 62 3.590 -4.484 -7.351 1.00 0.00 H new ATOM 0 HB2 MET A 62 3.436 -6.409 -5.016 1.00 0.00 H new ATOM 0 HB3 MET A 62 3.449 -6.956 -6.681 1.00 0.00 H new ATOM 0 HG2 MET A 62 5.632 -6.101 -7.073 1.00 0.00 H new ATOM 0 HG3 MET A 62 5.587 -5.084 -5.647 1.00 0.00 H new ATOM 0 HE1 MET A 62 6.197 -7.473 -2.704 1.00 0.00 H new ATOM 0 HE2 MET A 62 5.976 -5.801 -3.270 1.00 0.00 H new ATOM 0 HE3 MET A 62 4.602 -6.931 -3.277 1.00 0.00 H new ATOM 1027 N ASP A 63 1.502 -5.651 -7.985 1.00 0.00 N ATOM 1028 CA ASP A 63 0.215 -5.864 -8.629 1.00 0.00 C ATOM 1029 C ASP A 63 -0.438 -7.144 -8.065 1.00 0.00 C ATOM 1030 O ASP A 63 -0.913 -8.024 -8.796 1.00 0.00 O ATOM 1031 CB ASP A 63 0.485 -5.968 -10.150 1.00 0.00 C ATOM 1032 CG ASP A 63 -0.752 -6.001 -11.014 1.00 0.00 C ATOM 1033 OD1 ASP A 63 -1.423 -4.952 -11.158 1.00 0.00 O ATOM 1034 OD2 ASP A 63 -1.067 -7.069 -11.593 1.00 0.00 O ATOM 0 H ASP A 63 2.284 -6.019 -8.527 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.479 -5.045 -8.439 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.100 -5.121 -10.454 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.067 -6.870 -10.340 1.00 0.00 H new ATOM 1039 N ASP A 64 -0.470 -7.226 -6.748 1.00 0.00 N ATOM 1040 CA ASP A 64 -1.002 -8.385 -6.036 1.00 0.00 C ATOM 1041 C ASP A 64 -1.914 -7.967 -4.910 1.00 0.00 C ATOM 1042 O ASP A 64 -1.611 -7.023 -4.165 1.00 0.00 O ATOM 1043 CB ASP A 64 0.119 -9.271 -5.438 1.00 0.00 C ATOM 1044 CG ASP A 64 0.901 -10.073 -6.453 1.00 0.00 C ATOM 1045 OD1 ASP A 64 0.308 -10.956 -7.116 1.00 0.00 O ATOM 1046 OD2 ASP A 64 2.137 -9.879 -6.575 1.00 0.00 O ATOM 0 H ASP A 64 -0.127 -6.488 -6.133 1.00 0.00 H new ATOM 0 HA ASP A 64 -1.558 -8.958 -6.778 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.811 -8.634 -4.887 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.325 -9.957 -4.717 1.00 0.00 H new ATOM 1051 N ILE A 65 -3.041 -8.644 -4.790 1.00 0.00 N ATOM 1052 CA ILE A 65 -3.937 -8.434 -3.647 1.00 0.00 C ATOM 1053 C ILE A 65 -3.675 -9.438 -2.551 1.00 0.00 C ATOM 1054 O ILE A 65 -4.377 -9.433 -1.548 1.00 0.00 O ATOM 1055 CB ILE A 65 -5.424 -8.567 -4.006 1.00 0.00 C ATOM 1056 CG1 ILE A 65 -5.685 -9.862 -4.783 1.00 0.00 C ATOM 1057 CG2 ILE A 65 -5.950 -7.342 -4.685 1.00 0.00 C ATOM 1058 CD1 ILE A 65 -7.138 -10.159 -5.076 1.00 0.00 C ATOM 0 H ILE A 65 -3.364 -9.342 -5.460 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.727 -7.415 -3.321 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.993 -8.644 -3.080 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.143 -9.815 -5.728 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -5.268 -10.696 -4.218 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -7.005 -7.481 -4.920 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.836 -6.482 -4.024 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.393 -7.169 -5.606 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -7.214 -11.095 -5.629 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -7.688 -10.245 -4.139 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.562 -9.351 -5.672 1.00 0.00 H new ATOM 1070 N SER A 66 -2.703 -10.319 -2.766 1.00 0.00 N ATOM 1071 CA SER A 66 -2.370 -11.397 -1.823 1.00 0.00 C ATOM 1072 C SER A 66 -3.527 -12.457 -1.790 1.00 0.00 C ATOM 1073 O SER A 66 -4.667 -12.176 -2.211 1.00 0.00 O ATOM 1074 CB SER A 66 -2.107 -10.819 -0.400 1.00 0.00 C ATOM 1075 OG SER A 66 -1.146 -9.769 -0.434 1.00 0.00 O ATOM 0 H SER A 66 -2.118 -10.311 -3.601 1.00 0.00 H new ATOM 0 HA SER A 66 -1.457 -11.889 -2.159 1.00 0.00 H new ATOM 0 HB2 SER A 66 -3.041 -10.446 0.021 1.00 0.00 H new ATOM 0 HB3 SER A 66 -1.756 -11.614 0.258 1.00 0.00 H new ATOM 0 HG SER A 66 -1.583 -8.919 -0.219 1.00 0.00 H new ATOM 1081 N PRO A 67 -3.264 -13.685 -1.313 1.00 0.00 N ATOM 1082 CA PRO A 67 -4.292 -14.736 -1.229 1.00 0.00 C ATOM 1083 C PRO A 67 -5.421 -14.358 -0.269 1.00 0.00 C ATOM 1084 O PRO A 67 -6.562 -14.780 -0.429 1.00 0.00 O ATOM 1085 CB PRO A 67 -3.531 -15.954 -0.688 1.00 0.00 C ATOM 1086 CG PRO A 67 -2.283 -15.402 -0.085 1.00 0.00 C ATOM 1087 CD PRO A 67 -1.947 -14.172 -0.862 1.00 0.00 C ATOM 0 HA PRO A 67 -4.768 -14.911 -2.194 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -4.123 -16.490 0.054 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -3.303 -16.661 -1.485 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -2.432 -15.167 0.969 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.472 -16.128 -0.138 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -1.435 -13.434 -0.245 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -1.291 -14.394 -1.703 1.00 0.00 H new ATOM 1095 N LEU A 68 -5.103 -13.504 0.685 1.00 0.00 N ATOM 1096 CA LEU A 68 -6.039 -13.117 1.712 1.00 0.00 C ATOM 1097 C LEU A 68 -7.209 -12.300 1.116 1.00 0.00 C ATOM 1098 O LEU A 68 -8.320 -12.401 1.575 1.00 0.00 O ATOM 1099 CB LEU A 68 -5.307 -12.356 2.843 1.00 0.00 C ATOM 1100 CG LEU A 68 -5.805 -12.593 4.302 1.00 0.00 C ATOM 1101 CD1 LEU A 68 -7.240 -12.150 4.500 1.00 0.00 C ATOM 1102 CD2 LEU A 68 -5.661 -14.062 4.690 1.00 0.00 C ATOM 0 H LEU A 68 -4.188 -13.061 0.766 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.475 -14.015 2.150 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.251 -12.621 2.800 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.377 -11.289 2.632 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.176 -11.983 4.950 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -7.539 -12.336 5.532 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.325 -11.085 4.284 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.890 -12.710 3.827 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.014 -14.205 5.711 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.253 -14.677 4.012 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.613 -14.355 4.624 1.00 0.00 H new ATOM 1114 N SER A 69 -6.979 -11.545 0.057 1.00 0.00 N ATOM 1115 CA SER A 69 -8.082 -10.801 -0.569 1.00 0.00 C ATOM 1116 C SER A 69 -9.080 -11.736 -1.243 1.00 0.00 C ATOM 1117 O SER A 69 -10.232 -11.385 -1.449 1.00 0.00 O ATOM 1118 CB SER A 69 -7.588 -9.769 -1.549 1.00 0.00 C ATOM 1119 OG SER A 69 -6.853 -8.770 -0.896 1.00 0.00 O ATOM 0 H SER A 69 -6.068 -11.425 -0.386 1.00 0.00 H new ATOM 0 HA SER A 69 -8.594 -10.276 0.237 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.966 -10.248 -2.305 1.00 0.00 H new ATOM 0 HB3 SER A 69 -8.435 -9.322 -2.070 1.00 0.00 H new ATOM 0 HG SER A 69 -5.909 -8.839 -1.150 1.00 0.00 H new ATOM 1125 N LYS A 70 -8.632 -12.908 -1.575 1.00 0.00 N ATOM 1126 CA LYS A 70 -9.472 -13.878 -2.223 1.00 0.00 C ATOM 1127 C LYS A 70 -10.346 -14.577 -1.183 1.00 0.00 C ATOM 1128 O LYS A 70 -11.422 -15.079 -1.492 1.00 0.00 O ATOM 1129 CB LYS A 70 -8.591 -14.868 -2.968 1.00 0.00 C ATOM 1130 CG LYS A 70 -7.544 -14.156 -3.801 1.00 0.00 C ATOM 1131 CD LYS A 70 -6.636 -15.090 -4.548 1.00 0.00 C ATOM 1132 CE LYS A 70 -5.532 -14.288 -5.196 1.00 0.00 C ATOM 1133 NZ LYS A 70 -4.744 -15.084 -6.143 1.00 0.00 N ATOM 0 H LYS A 70 -7.676 -13.222 -1.406 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.134 -13.393 -2.940 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -8.102 -15.531 -2.255 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.208 -15.493 -3.613 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -8.043 -13.500 -4.514 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.943 -13.521 -3.150 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -6.214 -15.830 -3.868 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -7.198 -15.637 -5.305 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.965 -13.433 -5.716 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.874 -13.891 -4.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -4.000 -14.490 -6.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -4.308 -15.885 -5.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.365 -15.442 -6.897 1.00 0.00 H new ATOM 1147 N VAL A 71 -9.888 -14.584 0.060 1.00 0.00 N ATOM 1148 CA VAL A 71 -10.642 -15.216 1.141 1.00 0.00 C ATOM 1149 C VAL A 71 -11.511 -14.169 1.834 1.00 0.00 C ATOM 1150 O VAL A 71 -12.623 -14.443 2.278 1.00 0.00 O ATOM 1151 CB VAL A 71 -9.695 -15.928 2.189 1.00 0.00 C ATOM 1152 CG1 VAL A 71 -8.617 -16.685 1.491 1.00 0.00 C ATOM 1153 CG2 VAL A 71 -9.075 -14.977 3.195 1.00 0.00 C ATOM 0 H VAL A 71 -9.004 -14.163 0.348 1.00 0.00 H new ATOM 0 HA VAL A 71 -11.274 -15.990 0.705 1.00 0.00 H new ATOM 0 HB VAL A 71 -10.334 -16.610 2.749 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -7.976 -17.168 2.228 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -9.063 -17.442 0.846 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -8.023 -15.999 0.887 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -8.439 -15.537 3.881 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -8.476 -14.232 2.671 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -9.864 -14.478 3.758 1.00 0.00 H new ATOM 1163 N ASN A 72 -10.992 -12.967 1.876 1.00 0.00 N ATOM 1164 CA ASN A 72 -11.614 -11.851 2.550 1.00 0.00 C ATOM 1165 C ASN A 72 -12.316 -10.948 1.545 1.00 0.00 C ATOM 1166 O ASN A 72 -13.532 -11.010 1.400 1.00 0.00 O ATOM 1167 CB ASN A 72 -10.526 -11.117 3.379 1.00 0.00 C ATOM 1168 CG ASN A 72 -10.985 -9.891 4.126 1.00 0.00 C ATOM 1169 OD1 ASN A 72 -11.585 -10.003 5.161 1.00 0.00 O ATOM 1170 ND2 ASN A 72 -10.573 -8.720 3.687 1.00 0.00 N ATOM 0 H ASN A 72 -10.104 -12.730 1.432 1.00 0.00 H new ATOM 0 HA ASN A 72 -12.390 -12.191 3.236 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -10.107 -11.821 4.098 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -9.718 -10.828 2.707 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -10.761 -7.877 4.230 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -10.066 -8.656 2.804 1.00 0.00 H new ATOM 1177 N GLY A 73 -11.538 -10.150 0.822 1.00 0.00 N ATOM 1178 CA GLY A 73 -12.080 -9.280 -0.220 1.00 0.00 C ATOM 1179 C GLY A 73 -12.858 -8.097 0.306 1.00 0.00 C ATOM 1180 O GLY A 73 -13.329 -7.267 -0.463 1.00 0.00 O ATOM 0 H GLY A 73 -10.527 -10.086 0.938 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -11.259 -8.916 -0.837 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -12.729 -9.869 -0.868 1.00 0.00 H new ATOM 1184 N TYR A 74 -12.830 -7.934 1.592 1.00 0.00 N ATOM 1185 CA TYR A 74 -13.611 -7.000 2.274 1.00 0.00 C ATOM 1186 C TYR A 74 -12.936 -5.717 2.280 1.00 0.00 C ATOM 1187 O TYR A 74 -11.791 -5.561 2.744 1.00 0.00 O ATOM 1188 CB TYR A 74 -13.920 -7.414 3.708 1.00 0.00 C ATOM 1189 CG TYR A 74 -14.935 -8.516 3.864 1.00 0.00 C ATOM 1190 CD1 TYR A 74 -16.260 -8.301 3.538 1.00 0.00 C ATOM 1191 CD2 TYR A 74 -14.583 -9.749 4.371 1.00 0.00 C ATOM 1192 CE1 TYR A 74 -17.206 -9.282 3.708 1.00 0.00 C ATOM 1193 CE2 TYR A 74 -15.522 -10.734 4.556 1.00 0.00 C ATOM 1194 CZ TYR A 74 -16.832 -10.497 4.222 1.00 0.00 C ATOM 1195 OH TYR A 74 -17.772 -11.478 4.421 1.00 0.00 O ATOM 0 H TYR A 74 -12.228 -8.483 2.206 1.00 0.00 H new ATOM 0 HA TYR A 74 -14.563 -6.935 1.746 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -12.992 -7.730 4.184 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -14.275 -6.538 4.251 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -16.558 -7.342 3.141 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -13.552 -9.943 4.627 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -18.236 -9.098 3.439 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -15.231 -11.691 4.963 1.00 0.00 H new ATOM 0 HH TYR A 74 -17.339 -12.276 4.790 1.00 0.00 H new ATOM 1205 N ILE A 75 -13.569 -4.859 1.682 1.00 0.00 N ATOM 1206 CA ILE A 75 -13.224 -3.531 1.646 1.00 0.00 C ATOM 1207 C ILE A 75 -14.099 -2.904 2.668 1.00 0.00 C ATOM 1208 O ILE A 75 -15.312 -3.110 2.659 1.00 0.00 O ATOM 1209 CB ILE A 75 -13.491 -3.050 0.255 1.00 0.00 C ATOM 1210 CG1 ILE A 75 -12.459 -3.676 -0.667 1.00 0.00 C ATOM 1211 CG2 ILE A 75 -13.506 -1.517 0.141 1.00 0.00 C ATOM 1212 CD1 ILE A 75 -12.756 -3.500 -2.137 1.00 0.00 C ATOM 0 H ILE A 75 -14.417 -5.068 1.155 1.00 0.00 H new ATOM 0 HA ILE A 75 -12.181 -3.302 1.866 1.00 0.00 H new ATOM 0 HB ILE A 75 -14.493 -3.361 -0.039 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -11.483 -3.241 -0.450 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -12.390 -4.741 -0.447 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -13.705 -1.231 -0.892 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -14.286 -1.112 0.786 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -12.538 -1.120 0.448 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -11.972 -3.975 -2.726 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -13.716 -3.960 -2.372 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -12.795 -2.437 -2.376 1.00 0.00 H new ATOM 1224 N GLY A 76 -13.497 -2.223 3.554 1.00 0.00 N ATOM 1225 CA GLY A 76 -14.159 -1.770 4.691 1.00 0.00 C ATOM 1226 C GLY A 76 -14.319 -0.326 4.710 1.00 0.00 C ATOM 1227 O GLY A 76 -13.385 0.421 5.039 1.00 0.00 O ATOM 0 H GLY A 76 -12.512 -1.962 3.504 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -15.141 -2.241 4.746 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -13.606 -2.082 5.577 1.00 0.00 H new ATOM 1231 N VAL A 77 -15.470 0.089 4.363 1.00 0.00 N ATOM 1232 CA VAL A 77 -15.747 1.452 4.366 1.00 0.00 C ATOM 1233 C VAL A 77 -16.647 1.781 5.507 1.00 0.00 C ATOM 1234 O VAL A 77 -17.668 1.125 5.743 1.00 0.00 O ATOM 1235 CB VAL A 77 -16.276 1.946 3.015 1.00 0.00 C ATOM 1236 CG1 VAL A 77 -16.607 3.427 3.037 1.00 0.00 C ATOM 1237 CG2 VAL A 77 -15.266 1.645 1.917 1.00 0.00 C ATOM 0 H VAL A 77 -16.242 -0.511 4.070 1.00 0.00 H new ATOM 0 HA VAL A 77 -14.814 1.996 4.513 1.00 0.00 H new ATOM 0 HB VAL A 77 -17.204 1.411 2.810 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -16.978 3.731 2.058 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -17.371 3.618 3.790 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -15.710 3.997 3.278 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -15.651 2.000 0.961 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -14.326 2.150 2.139 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -15.097 0.570 1.863 1.00 0.00 H new ATOM 1247 N SER A 78 -16.231 2.737 6.255 1.00 0.00 N ATOM 1248 CA SER A 78 -16.964 3.160 7.388 1.00 0.00 C ATOM 1249 C SER A 78 -17.812 4.364 6.991 1.00 0.00 C ATOM 1250 O SER A 78 -17.561 4.955 5.938 1.00 0.00 O ATOM 1251 CB SER A 78 -15.992 3.488 8.494 1.00 0.00 C ATOM 1252 OG SER A 78 -15.082 2.418 8.683 1.00 0.00 O ATOM 0 H SER A 78 -15.365 3.251 6.095 1.00 0.00 H new ATOM 0 HA SER A 78 -17.633 2.379 7.750 1.00 0.00 H new ATOM 0 HB2 SER A 78 -15.446 4.399 8.249 1.00 0.00 H new ATOM 0 HB3 SER A 78 -16.535 3.680 9.419 1.00 0.00 H new ATOM 0 HG SER A 78 -14.456 2.644 9.402 1.00 0.00 H new ATOM 1258 N ASP A 79 -18.772 4.733 7.834 1.00 0.00 N ATOM 1259 CA ASP A 79 -19.776 5.804 7.563 1.00 0.00 C ATOM 1260 C ASP A 79 -19.139 7.153 7.129 1.00 0.00 C ATOM 1261 O ASP A 79 -19.727 7.912 6.347 1.00 0.00 O ATOM 1262 CB ASP A 79 -20.678 5.984 8.792 1.00 0.00 C ATOM 1263 CG ASP A 79 -21.878 6.883 8.545 1.00 0.00 C ATOM 1264 OD1 ASP A 79 -22.919 6.386 8.058 1.00 0.00 O ATOM 1265 OD2 ASP A 79 -21.820 8.076 8.880 1.00 0.00 O ATOM 0 H ASP A 79 -18.892 4.298 8.749 1.00 0.00 H new ATOM 0 HA ASP A 79 -20.375 5.479 6.712 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -21.030 5.006 9.119 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -20.086 6.399 9.608 1.00 0.00 H new ATOM 1270 N ASN A 80 -17.919 7.416 7.595 1.00 0.00 N ATOM 1271 CA ASN A 80 -17.166 8.634 7.205 1.00 0.00 C ATOM 1272 C ASN A 80 -16.487 8.477 5.844 1.00 0.00 C ATOM 1273 O ASN A 80 -15.678 9.313 5.449 1.00 0.00 O ATOM 1274 CB ASN A 80 -16.107 9.010 8.254 1.00 0.00 C ATOM 1275 CG ASN A 80 -16.675 9.712 9.468 1.00 0.00 C ATOM 1276 OD1 ASN A 80 -16.767 10.936 9.499 1.00 0.00 O ATOM 1277 ND2 ASN A 80 -17.023 8.963 10.476 1.00 0.00 N ATOM 0 H ASN A 80 -17.420 6.808 8.245 1.00 0.00 H new ATOM 0 HA ASN A 80 -17.903 9.434 7.140 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -15.591 8.106 8.577 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -15.361 9.654 7.789 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -17.386 9.391 11.328 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -16.932 7.949 10.413 1.00 0.00 H new ATOM 1284 N GLY A 81 -16.802 7.396 5.151 1.00 0.00 N ATOM 1285 CA GLY A 81 -16.252 7.122 3.857 1.00 0.00 C ATOM 1286 C GLY A 81 -14.858 6.630 3.960 1.00 0.00 C ATOM 1287 O GLY A 81 -14.029 6.922 3.128 1.00 0.00 O ATOM 0 H GLY A 81 -17.453 6.685 5.483 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -16.866 6.379 3.348 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -16.277 8.027 3.249 1.00 0.00 H new ATOM 1291 N VAL A 82 -14.598 5.897 4.995 1.00 0.00 N ATOM 1292 CA VAL A 82 -13.273 5.389 5.241 1.00 0.00 C ATOM 1293 C VAL A 82 -12.999 4.221 4.309 1.00 0.00 C ATOM 1294 O VAL A 82 -13.574 3.195 4.453 1.00 0.00 O ATOM 1295 CB VAL A 82 -13.108 4.966 6.713 1.00 0.00 C ATOM 1296 CG1 VAL A 82 -11.668 4.575 7.010 1.00 0.00 C ATOM 1297 CG2 VAL A 82 -13.567 6.093 7.627 1.00 0.00 C ATOM 0 H VAL A 82 -15.290 5.631 5.695 1.00 0.00 H new ATOM 0 HA VAL A 82 -12.549 6.180 5.045 1.00 0.00 H new ATOM 0 HB VAL A 82 -13.730 4.090 6.898 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -11.579 4.281 8.056 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -11.379 3.740 6.372 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -11.013 5.424 6.815 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -13.448 5.789 8.667 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -12.966 6.982 7.438 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -14.616 6.316 7.431 1.00 0.00 H new ATOM 1307 N ILE A 83 -12.085 4.431 3.409 1.00 0.00 N ATOM 1308 CA ILE A 83 -11.692 3.544 2.291 1.00 0.00 C ATOM 1309 C ILE A 83 -10.718 2.453 2.719 1.00 0.00 C ATOM 1310 O ILE A 83 -9.704 2.200 2.078 1.00 0.00 O ATOM 1311 CB ILE A 83 -11.231 4.311 1.002 1.00 0.00 C ATOM 1312 CG1 ILE A 83 -12.270 5.383 0.656 1.00 0.00 C ATOM 1313 CG2 ILE A 83 -11.084 3.346 -0.196 1.00 0.00 C ATOM 1314 CD1 ILE A 83 -13.681 4.840 0.535 1.00 0.00 C ATOM 0 H ILE A 83 -11.535 5.290 3.415 1.00 0.00 H new ATOM 0 HA ILE A 83 -12.609 3.033 1.996 1.00 0.00 H new ATOM 0 HB ILE A 83 -10.262 4.768 1.201 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -12.251 6.157 1.423 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -11.990 5.859 -0.284 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -10.764 3.904 -1.076 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -10.342 2.583 0.040 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -12.043 2.869 -0.399 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -14.364 5.653 0.289 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -13.715 4.087 -0.252 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -13.980 4.389 1.481 1.00 0.00 H new ATOM 1326 N SER A 84 -10.926 1.942 3.867 1.00 0.00 N ATOM 1327 CA SER A 84 -9.972 1.047 4.438 1.00 0.00 C ATOM 1328 C SER A 84 -10.345 -0.381 4.039 1.00 0.00 C ATOM 1329 O SER A 84 -11.321 -0.602 3.330 1.00 0.00 O ATOM 1330 CB SER A 84 -10.028 1.210 5.971 1.00 0.00 C ATOM 1331 OG SER A 84 -9.119 0.360 6.649 1.00 0.00 O ATOM 0 H SER A 84 -11.749 2.122 4.442 1.00 0.00 H new ATOM 0 HA SER A 84 -8.963 1.261 4.084 1.00 0.00 H new ATOM 0 HB2 SER A 84 -9.810 2.246 6.229 1.00 0.00 H new ATOM 0 HB3 SER A 84 -11.040 1.001 6.317 1.00 0.00 H new ATOM 0 HG SER A 84 -8.226 0.764 6.643 1.00 0.00 H new ATOM 1337 N THR A 85 -9.527 -1.310 4.377 1.00 0.00 N ATOM 1338 CA THR A 85 -9.850 -2.671 4.193 1.00 0.00 C ATOM 1339 C THR A 85 -9.880 -3.300 5.554 1.00 0.00 C ATOM 1340 O THR A 85 -9.116 -2.892 6.451 1.00 0.00 O ATOM 1341 CB THR A 85 -8.867 -3.421 3.242 1.00 0.00 C ATOM 1342 OG1 THR A 85 -7.522 -3.334 3.712 1.00 0.00 O ATOM 1343 CG2 THR A 85 -8.942 -2.875 1.815 1.00 0.00 C ATOM 0 H THR A 85 -8.610 -1.143 4.791 1.00 0.00 H new ATOM 0 HA THR A 85 -10.819 -2.745 3.699 1.00 0.00 H new ATOM 0 HB THR A 85 -9.173 -4.467 3.235 1.00 0.00 H new ATOM 0 HG1 THR A 85 -6.981 -4.031 3.286 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.244 -3.420 1.180 1.00 0.00 H new ATOM 0 HG22 THR A 85 -9.955 -2.998 1.431 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.681 -1.817 1.816 1.00 0.00 H new ATOM 1351 N PHE A 86 -10.775 -4.213 5.756 1.00 0.00 N ATOM 1352 CA PHE A 86 -10.898 -4.848 7.041 1.00 0.00 C ATOM 1353 C PHE A 86 -10.713 -6.319 6.886 1.00 0.00 C ATOM 1354 O PHE A 86 -10.897 -6.862 5.786 1.00 0.00 O ATOM 1355 CB PHE A 86 -12.274 -4.594 7.688 1.00 0.00 C ATOM 1356 CG PHE A 86 -12.532 -3.215 8.256 1.00 0.00 C ATOM 1357 CD1 PHE A 86 -12.252 -2.072 7.540 1.00 0.00 C ATOM 1358 CD2 PHE A 86 -13.092 -3.085 9.515 1.00 0.00 C ATOM 1359 CE1 PHE A 86 -12.522 -0.823 8.067 1.00 0.00 C ATOM 1360 CE2 PHE A 86 -13.370 -1.844 10.046 1.00 0.00 C ATOM 1361 CZ PHE A 86 -13.088 -0.711 9.319 1.00 0.00 C ATOM 0 H PHE A 86 -11.435 -4.540 5.051 1.00 0.00 H new ATOM 0 HA PHE A 86 -10.132 -4.421 7.689 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -13.041 -4.800 6.941 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -12.408 -5.319 8.490 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -11.816 -2.153 6.555 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -13.315 -3.971 10.091 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -12.290 0.065 7.498 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -13.808 -1.761 11.030 1.00 0.00 H new ATOM 0 HZ PHE A 86 -13.309 0.264 9.728 1.00 0.00 H new ATOM 1371 N HIS A 87 -10.334 -6.954 7.956 1.00 0.00 N ATOM 1372 CA HIS A 87 -10.237 -8.381 7.989 1.00 0.00 C ATOM 1373 C HIS A 87 -11.572 -8.878 8.520 1.00 0.00 C ATOM 1374 O HIS A 87 -11.862 -8.767 9.723 1.00 0.00 O ATOM 1375 CB HIS A 87 -9.070 -8.818 8.897 1.00 0.00 C ATOM 1376 CG HIS A 87 -8.757 -10.294 8.868 1.00 0.00 C ATOM 1377 ND1 HIS A 87 -7.649 -10.835 8.245 1.00 0.00 N ATOM 1378 CD2 HIS A 87 -9.408 -11.339 9.437 1.00 0.00 C ATOM 1379 CE1 HIS A 87 -7.659 -12.155 8.447 1.00 0.00 C ATOM 1380 NE2 HIS A 87 -8.710 -12.516 9.170 1.00 0.00 N ATOM 0 H HIS A 87 -10.083 -6.495 8.832 1.00 0.00 H new ATOM 0 HA HIS A 87 -10.033 -8.798 7.003 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -8.176 -8.267 8.605 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -9.301 -8.531 9.923 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -10.323 -11.270 10.007 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -6.911 -12.837 8.072 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -8.957 -13.459 9.469 1.00 0.00 H new ATOM 1388 N GLY A 88 -12.381 -9.353 7.628 1.00 0.00 N ATOM 1389 CA GLY A 88 -13.708 -9.764 7.949 1.00 0.00 C ATOM 1390 C GLY A 88 -14.678 -8.629 7.698 1.00 0.00 C ATOM 1391 O GLY A 88 -14.296 -7.608 7.105 1.00 0.00 O ATOM 0 H GLY A 88 -12.135 -9.467 6.645 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -13.985 -10.629 7.347 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -13.759 -10.073 8.993 1.00 0.00 H new ATOM 1395 N ARG A 89 -15.922 -8.833 8.093 1.00 0.00 N ATOM 1396 CA ARG A 89 -16.987 -7.815 8.031 1.00 0.00 C ATOM 1397 C ARG A 89 -16.500 -6.445 8.517 1.00 0.00 C ATOM 1398 O ARG A 89 -16.053 -6.318 9.645 1.00 0.00 O ATOM 1399 CB ARG A 89 -18.112 -8.239 8.939 1.00 0.00 C ATOM 1400 CG ARG A 89 -19.014 -9.316 8.418 1.00 0.00 C ATOM 1401 CD ARG A 89 -20.102 -8.698 7.587 1.00 0.00 C ATOM 1402 NE ARG A 89 -20.922 -7.762 8.387 1.00 0.00 N ATOM 1403 CZ ARG A 89 -22.127 -7.324 8.038 1.00 0.00 C ATOM 1404 NH1 ARG A 89 -22.654 -7.686 6.870 1.00 0.00 N ATOM 1405 NH2 ARG A 89 -22.797 -6.504 8.849 1.00 0.00 N ATOM 0 H ARG A 89 -16.239 -9.724 8.475 1.00 0.00 H new ATOM 0 HA ARG A 89 -17.304 -7.731 6.992 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -17.682 -8.579 9.881 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -18.720 -7.362 9.164 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -18.443 -10.026 7.819 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -19.448 -9.875 9.247 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -19.661 -8.168 6.742 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -20.738 -9.482 7.175 1.00 0.00 H new ATOM 0 HE ARG A 89 -20.535 -7.429 9.270 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -22.133 -8.299 6.244 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -23.579 -7.350 6.602 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -22.384 -6.214 9.736 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -23.722 -6.167 8.583 1.00 0.00 H new ATOM 1419 N PRO A 90 -16.573 -5.416 7.680 1.00 0.00 N ATOM 1420 CA PRO A 90 -16.150 -4.085 8.051 1.00 0.00 C ATOM 1421 C PRO A 90 -17.168 -3.352 8.905 1.00 0.00 C ATOM 1422 O PRO A 90 -18.017 -2.592 8.419 1.00 0.00 O ATOM 1423 CB PRO A 90 -15.938 -3.386 6.742 1.00 0.00 C ATOM 1424 CG PRO A 90 -16.829 -4.076 5.781 1.00 0.00 C ATOM 1425 CD PRO A 90 -17.035 -5.476 6.297 1.00 0.00 C ATOM 0 HA PRO A 90 -15.253 -4.116 8.670 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -16.185 -2.327 6.817 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -14.896 -3.448 6.427 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -17.781 -3.553 5.695 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -16.383 -4.093 4.786 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -18.082 -5.772 6.239 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -16.465 -6.203 5.717 1.00 0.00 H new ATOM 1433 N GLU A 91 -17.094 -3.620 10.145 1.00 0.00 N ATOM 1434 CA GLU A 91 -17.948 -3.075 11.130 1.00 0.00 C ATOM 1435 C GLU A 91 -17.055 -2.736 12.323 1.00 0.00 C ATOM 1436 O GLU A 91 -15.907 -3.159 12.324 1.00 0.00 O ATOM 1437 CB GLU A 91 -19.032 -4.131 11.448 1.00 0.00 C ATOM 1438 CG GLU A 91 -18.491 -5.488 11.841 1.00 0.00 C ATOM 1439 CD GLU A 91 -19.589 -6.502 11.986 1.00 0.00 C ATOM 1440 OE1 GLU A 91 -20.151 -6.955 10.971 1.00 0.00 O ATOM 1441 OE2 GLU A 91 -19.903 -6.887 13.127 1.00 0.00 O ATOM 0 H GLU A 91 -16.399 -4.261 10.528 1.00 0.00 H new ATOM 0 HA GLU A 91 -18.470 -2.169 10.821 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -19.660 -3.756 12.256 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -19.673 -4.249 10.575 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -17.779 -5.828 11.089 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -17.946 -5.404 12.781 1.00 0.00 H new ATOM 1448 N PRO A 92 -17.534 -1.985 13.346 1.00 0.00 N ATOM 1449 CA PRO A 92 -16.706 -1.584 14.506 1.00 0.00 C ATOM 1450 C PRO A 92 -16.216 -2.773 15.314 1.00 0.00 C ATOM 1451 O PRO A 92 -15.299 -2.659 16.116 1.00 0.00 O ATOM 1452 CB PRO A 92 -17.638 -0.746 15.367 1.00 0.00 C ATOM 1453 CG PRO A 92 -19.009 -1.025 14.876 1.00 0.00 C ATOM 1454 CD PRO A 92 -18.890 -1.475 13.455 1.00 0.00 C ATOM 0 HA PRO A 92 -15.812 -1.055 14.175 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -17.539 -1.010 16.420 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -17.401 0.314 15.281 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -19.486 -1.794 15.484 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -19.631 -0.133 14.946 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -19.624 -2.246 13.220 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -19.061 -0.651 12.762 1.00 0.00 H new ATOM 1462 N ALA A 93 -16.838 -3.911 15.094 1.00 0.00 N ATOM 1463 CA ALA A 93 -16.452 -5.130 15.745 1.00 0.00 C ATOM 1464 C ALA A 93 -15.185 -5.687 15.104 1.00 0.00 C ATOM 1465 O ALA A 93 -14.562 -6.633 15.603 1.00 0.00 O ATOM 1466 CB ALA A 93 -17.584 -6.116 15.672 1.00 0.00 C ATOM 0 H ALA A 93 -17.627 -4.010 14.456 1.00 0.00 H new ATOM 0 HA ALA A 93 -16.234 -4.935 16.795 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -17.292 -7.043 16.166 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -18.461 -5.701 16.169 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -17.821 -6.321 14.628 1.00 0.00 H new ATOM 1472 N SER A 94 -14.821 -5.105 13.999 1.00 0.00 N ATOM 1473 CA SER A 94 -13.638 -5.455 13.298 1.00 0.00 C ATOM 1474 C SER A 94 -12.679 -4.257 13.276 1.00 0.00 C ATOM 1475 O SER A 94 -13.088 -3.125 13.557 1.00 0.00 O ATOM 1476 CB SER A 94 -14.025 -5.859 11.904 1.00 0.00 C ATOM 1477 OG SER A 94 -14.945 -6.947 11.931 1.00 0.00 O ATOM 0 H SER A 94 -15.356 -4.358 13.557 1.00 0.00 H new ATOM 0 HA SER A 94 -13.128 -6.284 13.788 1.00 0.00 H new ATOM 0 HB2 SER A 94 -14.472 -5.011 11.385 1.00 0.00 H new ATOM 0 HB3 SER A 94 -13.135 -6.143 11.342 1.00 0.00 H new ATOM 0 HG SER A 94 -15.495 -6.931 11.120 1.00 0.00 H new ATOM 1483 N GLU A 95 -11.423 -4.500 12.962 1.00 0.00 N ATOM 1484 CA GLU A 95 -10.434 -3.443 12.936 1.00 0.00 C ATOM 1485 C GLU A 95 -9.979 -3.137 11.508 1.00 0.00 C ATOM 1486 O GLU A 95 -9.858 -4.052 10.678 1.00 0.00 O ATOM 1487 CB GLU A 95 -9.223 -3.805 13.794 1.00 0.00 C ATOM 1488 CG GLU A 95 -9.527 -3.931 15.271 1.00 0.00 C ATOM 1489 CD GLU A 95 -8.303 -4.277 16.075 1.00 0.00 C ATOM 1490 OE1 GLU A 95 -8.021 -5.477 16.247 1.00 0.00 O ATOM 1491 OE2 GLU A 95 -7.603 -3.368 16.543 1.00 0.00 O ATOM 0 H GLU A 95 -11.063 -5.423 12.721 1.00 0.00 H new ATOM 0 HA GLU A 95 -10.907 -2.551 13.347 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -8.808 -4.748 13.438 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -8.453 -3.045 13.656 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -9.946 -2.993 15.635 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -10.287 -4.699 15.420 1.00 0.00 H new ATOM 1498 N PRO A 96 -9.764 -1.842 11.189 1.00 0.00 N ATOM 1499 CA PRO A 96 -9.224 -1.426 9.895 1.00 0.00 C ATOM 1500 C PRO A 96 -7.748 -1.811 9.774 1.00 0.00 C ATOM 1501 O PRO A 96 -6.981 -1.724 10.754 1.00 0.00 O ATOM 1502 CB PRO A 96 -9.356 0.108 9.905 1.00 0.00 C ATOM 1503 CG PRO A 96 -10.218 0.433 11.078 1.00 0.00 C ATOM 1504 CD PRO A 96 -10.049 -0.688 12.053 1.00 0.00 C ATOM 0 HA PRO A 96 -9.746 -1.898 9.063 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -8.379 0.584 9.993 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -9.804 0.468 8.979 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -9.924 1.383 11.524 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -11.261 0.532 10.777 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -9.234 -0.496 12.751 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -10.949 -0.843 12.649 1.00 0.00 H new ATOM 1512 N ILE A 97 -7.352 -2.233 8.604 1.00 0.00 N ATOM 1513 CA ILE A 97 -5.978 -2.663 8.365 1.00 0.00 C ATOM 1514 C ILE A 97 -5.067 -1.455 8.092 1.00 0.00 C ATOM 1515 O ILE A 97 -3.918 -1.420 8.524 1.00 0.00 O ATOM 1516 CB ILE A 97 -5.929 -3.659 7.178 1.00 0.00 C ATOM 1517 CG1 ILE A 97 -6.858 -4.844 7.468 1.00 0.00 C ATOM 1518 CG2 ILE A 97 -4.499 -4.157 6.940 1.00 0.00 C ATOM 1519 CD1 ILE A 97 -7.153 -5.694 6.263 1.00 0.00 C ATOM 0 H ILE A 97 -7.959 -2.293 7.786 1.00 0.00 H new ATOM 0 HA ILE A 97 -5.613 -3.166 9.261 1.00 0.00 H new ATOM 0 HB ILE A 97 -6.262 -3.146 6.276 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -6.406 -5.468 8.239 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -7.797 -4.467 7.873 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -4.491 -4.854 6.102 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -3.852 -3.310 6.713 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -4.136 -4.661 7.835 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -7.816 -6.511 6.548 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -7.635 -5.086 5.498 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -6.222 -6.102 5.869 1.00 0.00 H new ATOM 1531 N GLN A 98 -5.594 -0.478 7.395 1.00 0.00 N ATOM 1532 CA GLN A 98 -4.861 0.737 7.053 1.00 0.00 C ATOM 1533 C GLN A 98 -5.886 1.813 6.778 1.00 0.00 C ATOM 1534 O GLN A 98 -7.007 1.706 7.256 1.00 0.00 O ATOM 1535 CB GLN A 98 -3.940 0.506 5.811 1.00 0.00 C ATOM 1536 CG GLN A 98 -4.597 0.428 4.424 1.00 0.00 C ATOM 1537 CD GLN A 98 -5.860 -0.364 4.414 1.00 0.00 C ATOM 1538 OE1 GLN A 98 -6.952 0.179 4.435 1.00 0.00 O ATOM 1539 NE2 GLN A 98 -5.714 -1.574 4.643 1.00 0.00 N ATOM 0 H GLN A 98 -6.551 -0.495 7.042 1.00 0.00 H new ATOM 0 HA GLN A 98 -4.207 1.033 7.873 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -3.206 1.311 5.787 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -3.391 -0.422 5.972 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -4.807 1.438 4.072 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -3.893 -0.015 3.720 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -4.783 -1.990 4.615 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -6.525 -2.154 4.859 1.00 0.00 H new ATOM 1548 N SER A 99 -5.529 2.853 6.095 1.00 0.00 N ATOM 1549 CA SER A 99 -6.503 3.757 5.586 1.00 0.00 C ATOM 1550 C SER A 99 -6.027 4.331 4.255 1.00 0.00 C ATOM 1551 O SER A 99 -4.913 4.841 4.167 1.00 0.00 O ATOM 1552 CB SER A 99 -6.831 4.872 6.583 1.00 0.00 C ATOM 1553 OG SER A 99 -7.379 4.352 7.788 1.00 0.00 O ATOM 0 H SER A 99 -4.563 3.096 5.877 1.00 0.00 H new ATOM 0 HA SER A 99 -7.428 3.203 5.425 1.00 0.00 H new ATOM 0 HB2 SER A 99 -5.927 5.437 6.808 1.00 0.00 H new ATOM 0 HB3 SER A 99 -7.538 5.568 6.132 1.00 0.00 H new ATOM 0 HG SER A 99 -7.389 3.373 7.747 1.00 0.00 H new ATOM 1559 N PHE A 100 -6.827 4.193 3.215 1.00 0.00 N ATOM 1560 CA PHE A 100 -6.495 4.792 1.932 1.00 0.00 C ATOM 1561 C PHE A 100 -7.036 6.218 1.861 1.00 0.00 C ATOM 1562 O PHE A 100 -6.269 7.183 1.831 1.00 0.00 O ATOM 1563 CB PHE A 100 -7.021 3.951 0.753 1.00 0.00 C ATOM 1564 CG PHE A 100 -6.341 2.613 0.575 1.00 0.00 C ATOM 1565 CD1 PHE A 100 -5.174 2.513 -0.164 1.00 0.00 C ATOM 1566 CD2 PHE A 100 -6.871 1.461 1.131 1.00 0.00 C ATOM 1567 CE1 PHE A 100 -4.549 1.294 -0.341 1.00 0.00 C ATOM 1568 CE2 PHE A 100 -6.251 0.238 0.957 1.00 0.00 C ATOM 1569 CZ PHE A 100 -5.088 0.154 0.220 1.00 0.00 C ATOM 0 H PHE A 100 -7.706 3.676 3.230 1.00 0.00 H new ATOM 0 HA PHE A 100 -5.409 4.820 1.849 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -8.089 3.784 0.892 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -6.905 4.526 -0.165 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -4.747 3.400 -0.608 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -7.782 1.519 1.709 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -3.638 1.233 -0.918 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -6.677 -0.651 1.398 1.00 0.00 H new ATOM 0 HZ PHE A 100 -4.601 -0.800 0.082 1.00 0.00 H new ATOM 1579 N PHE A 101 -8.350 6.346 1.892 1.00 0.00 N ATOM 1580 CA PHE A 101 -9.020 7.638 1.803 1.00 0.00 C ATOM 1581 C PHE A 101 -10.230 7.705 2.711 1.00 0.00 C ATOM 1582 O PHE A 101 -10.608 6.712 3.335 1.00 0.00 O ATOM 1583 CB PHE A 101 -9.460 7.941 0.355 1.00 0.00 C ATOM 1584 CG PHE A 101 -8.492 8.773 -0.435 1.00 0.00 C ATOM 1585 CD1 PHE A 101 -7.354 8.224 -0.993 1.00 0.00 C ATOM 1586 CD2 PHE A 101 -8.730 10.125 -0.610 1.00 0.00 C ATOM 1587 CE1 PHE A 101 -6.472 9.005 -1.710 1.00 0.00 C ATOM 1588 CE2 PHE A 101 -7.853 10.910 -1.325 1.00 0.00 C ATOM 1589 CZ PHE A 101 -6.723 10.350 -1.875 1.00 0.00 C ATOM 0 H PHE A 101 -8.988 5.555 1.980 1.00 0.00 H new ATOM 0 HA PHE A 101 -8.296 8.386 2.125 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -9.617 6.997 -0.167 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -10.421 8.454 0.382 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -7.152 7.171 -0.866 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -9.615 10.570 -0.180 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -5.586 8.563 -2.142 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -8.052 11.964 -1.454 1.00 0.00 H new ATOM 0 HZ PHE A 101 -6.033 10.964 -2.435 1.00 0.00 H new ATOM 1599 N GLN A 102 -10.783 8.884 2.804 1.00 0.00 N ATOM 1600 CA GLN A 102 -12.027 9.161 3.477 1.00 0.00 C ATOM 1601 C GLN A 102 -12.849 10.029 2.570 1.00 0.00 C ATOM 1602 O GLN A 102 -12.399 11.090 2.142 1.00 0.00 O ATOM 1603 CB GLN A 102 -11.800 9.803 4.841 1.00 0.00 C ATOM 1604 CG GLN A 102 -11.670 8.789 5.952 1.00 0.00 C ATOM 1605 CD GLN A 102 -11.081 9.373 7.198 1.00 0.00 C ATOM 1606 OE1 GLN A 102 -9.862 9.336 7.399 1.00 0.00 O ATOM 1607 NE2 GLN A 102 -11.900 9.945 8.019 1.00 0.00 N ATOM 0 H GLN A 102 -10.360 9.717 2.394 1.00 0.00 H new ATOM 0 HA GLN A 102 -12.561 8.233 3.680 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -10.897 10.413 4.805 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -12.629 10.475 5.064 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -12.653 8.375 6.178 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -11.046 7.962 5.613 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -12.900 9.955 7.818 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -11.546 10.387 8.868 1.00 0.00 H new ATOM 1616 N ILE A 103 -14.009 9.548 2.222 1.00 0.00 N ATOM 1617 CA ILE A 103 -14.852 10.199 1.230 1.00 0.00 C ATOM 1618 C ILE A 103 -16.269 10.367 1.769 1.00 0.00 C ATOM 1619 O ILE A 103 -16.634 9.775 2.796 1.00 0.00 O ATOM 1620 CB ILE A 103 -14.897 9.368 -0.110 1.00 0.00 C ATOM 1621 CG1 ILE A 103 -15.698 8.075 0.081 1.00 0.00 C ATOM 1622 CG2 ILE A 103 -13.476 9.022 -0.554 1.00 0.00 C ATOM 1623 CD1 ILE A 103 -15.811 7.247 -1.173 1.00 0.00 C ATOM 0 H ILE A 103 -14.407 8.694 2.612 1.00 0.00 H new ATOM 0 HA ILE A 103 -14.423 11.179 1.020 1.00 0.00 H new ATOM 0 HB ILE A 103 -15.384 9.975 -0.874 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -15.226 7.477 0.861 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -16.699 8.326 0.433 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -13.514 8.448 -1.480 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -12.913 9.940 -0.719 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -12.987 8.430 0.220 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -16.390 6.348 -0.964 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -16.310 7.828 -1.949 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -14.815 6.966 -1.514 1.00 0.00 H new ATOM 1635 N ASP A 104 -17.060 11.159 1.105 1.00 0.00 N ATOM 1636 CA ASP A 104 -18.430 11.341 1.509 1.00 0.00 C ATOM 1637 C ASP A 104 -19.334 10.249 0.986 1.00 0.00 C ATOM 1638 O ASP A 104 -19.628 10.161 -0.215 1.00 0.00 O ATOM 1639 CB ASP A 104 -18.954 12.728 1.140 1.00 0.00 C ATOM 1640 CG ASP A 104 -18.660 13.740 2.226 1.00 0.00 C ATOM 1641 OD1 ASP A 104 -17.547 14.253 2.303 1.00 0.00 O ATOM 1642 OD2 ASP A 104 -19.540 14.014 3.046 1.00 0.00 O ATOM 0 H ASP A 104 -16.783 11.691 0.280 1.00 0.00 H new ATOM 0 HA ASP A 104 -18.443 11.267 2.596 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -18.498 13.053 0.205 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -20.029 12.678 0.969 1.00 0.00 H new ATOM 1647 N LEU A 105 -19.814 9.409 1.878 1.00 0.00 N ATOM 1648 CA LEU A 105 -20.708 8.351 1.472 1.00 0.00 C ATOM 1649 C LEU A 105 -22.027 8.914 1.046 1.00 0.00 C ATOM 1650 O LEU A 105 -22.713 8.352 0.205 1.00 0.00 O ATOM 1651 CB LEU A 105 -20.902 7.283 2.525 1.00 0.00 C ATOM 1652 CG LEU A 105 -19.704 6.428 2.883 1.00 0.00 C ATOM 1653 CD1 LEU A 105 -20.181 5.227 3.657 1.00 0.00 C ATOM 1654 CD2 LEU A 105 -18.924 6.001 1.645 1.00 0.00 C ATOM 0 H LEU A 105 -19.603 9.438 2.875 1.00 0.00 H new ATOM 0 HA LEU A 105 -20.231 7.858 0.625 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -21.253 7.768 3.436 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -21.700 6.620 2.189 1.00 0.00 H new ATOM 0 HG LEU A 105 -19.021 7.016 3.496 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -19.328 4.602 3.921 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -20.685 5.556 4.566 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -20.876 4.652 3.045 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -18.073 5.390 1.944 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -19.573 5.423 0.988 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -18.568 6.885 1.117 1.00 0.00 H new ATOM 1666 N GLU A 106 -22.345 10.047 1.596 1.00 0.00 N ATOM 1667 CA GLU A 106 -23.538 10.775 1.253 1.00 0.00 C ATOM 1668 C GLU A 106 -23.452 11.334 -0.178 1.00 0.00 C ATOM 1669 O GLU A 106 -24.463 11.739 -0.765 1.00 0.00 O ATOM 1670 CB GLU A 106 -23.760 11.876 2.281 1.00 0.00 C ATOM 1671 CG GLU A 106 -22.532 12.732 2.522 1.00 0.00 C ATOM 1672 CD GLU A 106 -22.727 13.742 3.610 1.00 0.00 C ATOM 1673 OE1 GLU A 106 -22.588 13.382 4.798 1.00 0.00 O ATOM 1674 OE2 GLU A 106 -23.011 14.910 3.306 1.00 0.00 O ATOM 0 H GLU A 106 -21.775 10.503 2.309 1.00 0.00 H new ATOM 0 HA GLU A 106 -24.395 10.102 1.272 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -24.579 12.514 1.948 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -24.070 11.425 3.224 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -21.691 12.087 2.779 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -22.268 13.247 1.598 1.00 0.00 H new ATOM 1681 N ARG A 107 -22.244 11.357 -0.735 1.00 0.00 N ATOM 1682 CA ARG A 107 -22.065 11.816 -2.082 1.00 0.00 C ATOM 1683 C ARG A 107 -22.038 10.612 -3.037 1.00 0.00 C ATOM 1684 O ARG A 107 -22.190 10.765 -4.253 1.00 0.00 O ATOM 1685 CB ARG A 107 -20.821 12.692 -2.210 1.00 0.00 C ATOM 1686 CG ARG A 107 -19.556 11.974 -2.567 1.00 0.00 C ATOM 1687 CD ARG A 107 -18.394 12.927 -2.669 1.00 0.00 C ATOM 1688 NE ARG A 107 -18.653 14.013 -3.584 1.00 0.00 N ATOM 1689 CZ ARG A 107 -17.725 14.828 -4.066 1.00 0.00 C ATOM 1690 NH1 ARG A 107 -16.481 14.769 -3.592 1.00 0.00 N ATOM 1691 NH2 ARG A 107 -18.048 15.734 -4.978 1.00 0.00 N ATOM 0 H ARG A 107 -21.388 11.062 -0.266 1.00 0.00 H new ATOM 0 HA ARG A 107 -22.909 12.447 -2.361 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -21.011 13.453 -2.967 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -20.667 13.213 -1.265 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -19.341 11.215 -1.814 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -19.686 11.454 -3.516 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -18.172 13.332 -1.682 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -17.508 12.382 -2.997 1.00 0.00 H new ATOM 0 HE ARG A 107 -19.617 14.164 -3.880 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -16.245 14.098 -2.861 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -15.765 15.395 -3.961 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -19.010 15.804 -5.309 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -17.334 16.361 -5.349 1.00 0.00 H new ATOM 1705 N LEU A 108 -21.801 9.407 -2.471 1.00 0.00 N ATOM 1706 CA LEU A 108 -21.963 8.137 -3.231 1.00 0.00 C ATOM 1707 C LEU A 108 -23.379 8.037 -3.747 1.00 0.00 C ATOM 1708 O LEU A 108 -24.285 8.620 -3.151 1.00 0.00 O ATOM 1709 CB LEU A 108 -21.690 6.882 -2.357 1.00 0.00 C ATOM 1710 CG LEU A 108 -20.313 6.241 -2.442 1.00 0.00 C ATOM 1711 CD1 LEU A 108 -20.028 5.729 -3.808 1.00 0.00 C ATOM 1712 CD2 LEU A 108 -19.268 7.172 -1.953 1.00 0.00 C ATOM 0 H LEU A 108 -21.501 9.283 -1.504 1.00 0.00 H new ATOM 0 HA LEU A 108 -21.237 8.160 -4.044 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -21.869 7.154 -1.317 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -22.428 6.124 -2.620 1.00 0.00 H new ATOM 0 HG LEU A 108 -20.302 5.372 -1.784 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -19.036 5.279 -3.828 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -20.772 4.980 -4.078 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -20.067 6.553 -4.521 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -18.292 6.692 -2.023 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -19.273 8.076 -2.562 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -19.470 7.433 -0.914 1.00 0.00 H new ATOM 1724 N GLU A 109 -23.570 7.293 -4.835 1.00 0.00 N ATOM 1725 CA GLU A 109 -24.893 7.120 -5.439 1.00 0.00 C ATOM 1726 C GLU A 109 -25.926 6.631 -4.401 1.00 0.00 C ATOM 1727 O GLU A 109 -26.760 7.417 -3.932 1.00 0.00 O ATOM 1728 CB GLU A 109 -24.827 6.167 -6.628 1.00 0.00 C ATOM 1729 CG GLU A 109 -23.842 6.583 -7.702 1.00 0.00 C ATOM 1730 CD GLU A 109 -23.927 5.702 -8.919 1.00 0.00 C ATOM 1731 OE1 GLU A 109 -23.429 4.572 -8.887 1.00 0.00 O ATOM 1732 OE2 GLU A 109 -24.534 6.127 -9.936 1.00 0.00 O ATOM 0 H GLU A 109 -22.822 6.797 -5.320 1.00 0.00 H new ATOM 0 HA GLU A 109 -25.221 8.095 -5.800 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -24.558 5.174 -6.269 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -25.819 6.088 -7.072 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -24.034 7.617 -7.989 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -22.830 6.547 -7.299 1.00 0.00 H new ATOM 1739 N SER A 110 -25.867 5.360 -4.029 1.00 0.00 N ATOM 1740 CA SER A 110 -26.741 4.850 -2.992 1.00 0.00 C ATOM 1741 C SER A 110 -26.224 3.536 -2.398 1.00 0.00 C ATOM 1742 O SER A 110 -25.667 3.512 -1.300 1.00 0.00 O ATOM 1743 CB SER A 110 -28.189 4.705 -3.513 1.00 0.00 C ATOM 1744 OG SER A 110 -28.238 3.944 -4.716 1.00 0.00 O ATOM 0 H SER A 110 -25.228 4.672 -4.428 1.00 0.00 H new ATOM 0 HA SER A 110 -26.746 5.580 -2.182 1.00 0.00 H new ATOM 0 HB2 SER A 110 -28.804 4.224 -2.752 1.00 0.00 H new ATOM 0 HB3 SER A 110 -28.614 5.693 -3.689 1.00 0.00 H new ATOM 0 HG SER A 110 -29.167 3.869 -5.018 1.00 0.00 H new ATOM 1750 N HIS A 111 -26.343 2.474 -3.153 1.00 0.00 N ATOM 1751 CA HIS A 111 -26.010 1.137 -2.678 1.00 0.00 C ATOM 1752 C HIS A 111 -24.522 0.885 -2.702 1.00 0.00 C ATOM 1753 O HIS A 111 -24.037 0.049 -1.963 1.00 0.00 O ATOM 1754 CB HIS A 111 -26.766 0.060 -3.467 1.00 0.00 C ATOM 1755 CG HIS A 111 -28.251 0.269 -3.484 1.00 0.00 C ATOM 1756 ND1 HIS A 111 -28.978 0.523 -4.629 1.00 0.00 N ATOM 1757 CD2 HIS A 111 -29.137 0.294 -2.464 1.00 0.00 C ATOM 1758 CE1 HIS A 111 -30.253 0.699 -4.277 1.00 0.00 C ATOM 1759 NE2 HIS A 111 -30.406 0.570 -2.966 1.00 0.00 N ATOM 0 H HIS A 111 -26.673 2.502 -4.118 1.00 0.00 H new ATOM 0 HA HIS A 111 -26.331 1.078 -1.638 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -26.397 0.044 -4.492 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -26.549 -0.917 -3.035 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -28.899 0.126 -1.424 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -31.054 0.917 -4.968 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -31.273 0.655 -2.436 1.00 0.00 H new ATOM 1767 N MET A 112 -23.811 1.634 -3.538 1.00 0.00 N ATOM 1768 CA MET A 112 -22.339 1.571 -3.637 1.00 0.00 C ATOM 1769 C MET A 112 -21.697 1.629 -2.254 1.00 0.00 C ATOM 1770 O MET A 112 -20.998 0.702 -1.832 1.00 0.00 O ATOM 1771 CB MET A 112 -21.823 2.747 -4.474 1.00 0.00 C ATOM 1772 CG MET A 112 -21.904 2.583 -5.986 1.00 0.00 C ATOM 1773 SD MET A 112 -20.675 1.426 -6.629 1.00 0.00 S ATOM 1774 CE MET A 112 -19.145 2.220 -6.110 1.00 0.00 C ATOM 0 H MET A 112 -24.233 2.310 -4.175 1.00 0.00 H new ATOM 0 HA MET A 112 -22.072 0.627 -4.113 1.00 0.00 H new ATOM 0 HB2 MET A 112 -22.385 3.638 -4.196 1.00 0.00 H new ATOM 0 HB3 MET A 112 -20.783 2.929 -4.204 1.00 0.00 H new ATOM 0 HG2 MET A 112 -22.901 2.235 -6.257 1.00 0.00 H new ATOM 0 HG3 MET A 112 -21.766 3.554 -6.461 1.00 0.00 H new ATOM 0 HE1 MET A 112 -18.341 1.941 -6.791 1.00 0.00 H new ATOM 0 HE2 MET A 112 -19.273 3.302 -6.125 1.00 0.00 H new ATOM 0 HE3 MET A 112 -18.893 1.899 -5.099 1.00 0.00 H new ATOM 1784 N GLN A 113 -22.013 2.687 -1.520 1.00 0.00 N ATOM 1785 CA GLN A 113 -21.454 2.895 -0.198 1.00 0.00 C ATOM 1786 C GLN A 113 -21.917 1.815 0.769 1.00 0.00 C ATOM 1787 O GLN A 113 -21.158 1.353 1.591 1.00 0.00 O ATOM 1788 CB GLN A 113 -21.795 4.290 0.349 1.00 0.00 C ATOM 1789 CG GLN A 113 -23.250 4.610 0.298 1.00 0.00 C ATOM 1790 CD GLN A 113 -23.824 5.166 1.584 1.00 0.00 C ATOM 1791 OE1 GLN A 113 -24.257 4.421 2.443 1.00 0.00 O ATOM 1792 NE2 GLN A 113 -23.904 6.449 1.699 1.00 0.00 N ATOM 0 H GLN A 113 -22.658 3.417 -1.823 1.00 0.00 H new ATOM 0 HA GLN A 113 -20.370 2.830 -0.293 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -21.452 4.361 1.381 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -21.246 5.039 -0.222 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -23.421 5.331 -0.501 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -23.797 3.705 0.034 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -23.533 7.051 0.964 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -24.338 6.861 2.525 1.00 0.00 H new ATOM 1801 N LYS A 114 -23.152 1.375 0.602 1.00 0.00 N ATOM 1802 CA LYS A 114 -23.738 0.387 1.488 1.00 0.00 C ATOM 1803 C LYS A 114 -23.141 -0.982 1.278 1.00 0.00 C ATOM 1804 O LYS A 114 -23.131 -1.805 2.187 1.00 0.00 O ATOM 1805 CB LYS A 114 -25.245 0.335 1.347 1.00 0.00 C ATOM 1806 CG LYS A 114 -25.907 1.650 1.643 1.00 0.00 C ATOM 1807 CD LYS A 114 -27.398 1.512 1.708 1.00 0.00 C ATOM 1808 CE LYS A 114 -28.028 2.841 2.023 1.00 0.00 C ATOM 1809 NZ LYS A 114 -29.481 2.732 2.238 1.00 0.00 N ATOM 0 H LYS A 114 -23.771 1.690 -0.145 1.00 0.00 H new ATOM 0 HA LYS A 114 -23.503 0.702 2.505 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -25.499 0.026 0.333 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -25.642 -0.425 2.020 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -25.535 2.041 2.590 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -25.641 2.374 0.873 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -27.778 1.137 0.758 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -27.670 0.782 2.470 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -27.561 3.260 2.914 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -27.835 3.536 1.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -29.872 3.672 2.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -29.932 2.357 1.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -29.667 2.090 3.035 1.00 0.00 H new ATOM 1823 N ASN A 115 -22.668 -1.248 0.085 1.00 0.00 N ATOM 1824 CA ASN A 115 -21.987 -2.502 -0.178 1.00 0.00 C ATOM 1825 C ASN A 115 -20.663 -2.501 0.510 1.00 0.00 C ATOM 1826 O ASN A 115 -20.236 -3.502 1.060 1.00 0.00 O ATOM 1827 CB ASN A 115 -21.825 -2.802 -1.673 1.00 0.00 C ATOM 1828 CG ASN A 115 -23.134 -3.134 -2.344 1.00 0.00 C ATOM 1829 OD1 ASN A 115 -24.084 -3.601 -1.693 1.00 0.00 O ATOM 1830 ND2 ASN A 115 -23.178 -2.966 -3.636 1.00 0.00 N ATOM 0 H ASN A 115 -22.739 -0.622 -0.717 1.00 0.00 H new ATOM 0 HA ASN A 115 -22.612 -3.301 0.219 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -21.377 -1.939 -2.166 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -21.135 -3.636 -1.800 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -24.018 -3.222 -4.155 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -22.373 -2.579 -4.128 1.00 0.00 H new ATOM 1837 N LEU A 116 -20.052 -1.348 0.536 1.00 0.00 N ATOM 1838 CA LEU A 116 -18.781 -1.159 1.200 1.00 0.00 C ATOM 1839 C LEU A 116 -18.971 -1.237 2.731 1.00 0.00 C ATOM 1840 O LEU A 116 -18.065 -1.639 3.457 1.00 0.00 O ATOM 1841 CB LEU A 116 -18.216 0.198 0.817 1.00 0.00 C ATOM 1842 CG LEU A 116 -18.110 0.501 -0.683 1.00 0.00 C ATOM 1843 CD1 LEU A 116 -17.803 1.961 -0.895 1.00 0.00 C ATOM 1844 CD2 LEU A 116 -17.034 -0.356 -1.332 1.00 0.00 C ATOM 0 H LEU A 116 -20.420 -0.505 0.096 1.00 0.00 H new ATOM 0 HA LEU A 116 -18.088 -1.942 0.892 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -18.837 0.967 1.277 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -17.221 0.288 1.254 1.00 0.00 H new ATOM 0 HG LEU A 116 -19.067 0.265 -1.149 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -17.730 2.166 -1.963 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -18.600 2.567 -0.463 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -16.857 2.208 -0.412 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -16.977 -0.124 -2.396 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -16.072 -0.149 -0.863 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -17.281 -1.410 -1.203 1.00 0.00 H new ATOM 1856 N LEU A 117 -20.162 -0.826 3.196 1.00 0.00 N ATOM 1857 CA LEU A 117 -20.535 -0.890 4.611 1.00 0.00 C ATOM 1858 C LEU A 117 -20.596 -2.320 5.124 1.00 0.00 C ATOM 1859 O LEU A 117 -20.021 -2.629 6.166 1.00 0.00 O ATOM 1860 CB LEU A 117 -21.884 -0.208 4.869 1.00 0.00 C ATOM 1861 CG LEU A 117 -21.984 1.263 4.497 1.00 0.00 C ATOM 1862 CD1 LEU A 117 -23.343 1.820 4.847 1.00 0.00 C ATOM 1863 CD2 LEU A 117 -20.898 2.056 5.163 1.00 0.00 C ATOM 0 H LEU A 117 -20.892 -0.440 2.597 1.00 0.00 H new ATOM 0 HA LEU A 117 -19.753 -0.358 5.153 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -22.652 -0.752 4.319 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -22.120 -0.309 5.928 1.00 0.00 H new ATOM 0 HG LEU A 117 -21.854 1.345 3.418 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -23.387 2.873 4.570 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -24.112 1.270 4.305 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -23.512 1.719 5.919 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -20.989 3.105 4.882 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -20.989 1.960 6.245 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -19.926 1.679 4.846 1.00 0.00 H new ATOM 1875 N LYS A 118 -21.294 -3.210 4.407 1.00 0.00 N ATOM 1876 CA LYS A 118 -21.367 -4.579 4.892 1.00 0.00 C ATOM 1877 C LYS A 118 -20.111 -5.308 4.501 1.00 0.00 C ATOM 1878 O LYS A 118 -19.729 -6.295 5.129 1.00 0.00 O ATOM 1879 CB LYS A 118 -22.620 -5.380 4.455 1.00 0.00 C ATOM 1880 CG LYS A 118 -22.594 -5.949 3.047 1.00 0.00 C ATOM 1881 CD LYS A 118 -23.087 -4.979 1.999 1.00 0.00 C ATOM 1882 CE LYS A 118 -24.596 -4.777 2.091 1.00 0.00 C ATOM 1883 NZ LYS A 118 -25.102 -3.854 1.049 1.00 0.00 N ATOM 0 H LYS A 118 -21.789 -3.016 3.536 1.00 0.00 H new ATOM 0 HA LYS A 118 -21.462 -4.505 5.975 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -22.762 -6.204 5.155 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -23.491 -4.731 4.546 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -21.575 -6.249 2.803 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -23.208 -6.849 3.015 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -22.582 -4.021 2.122 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -22.828 -5.350 1.007 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -25.096 -5.741 1.994 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -24.849 -4.384 3.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -26.117 -4.023 0.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -24.957 -2.871 1.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -24.588 -4.019 0.160 1.00 0.00 H new ATOM 1897 N GLY A 119 -19.462 -4.807 3.469 1.00 0.00 N ATOM 1898 CA GLY A 119 -18.247 -5.364 3.030 1.00 0.00 C ATOM 1899 C GLY A 119 -18.425 -6.121 1.775 1.00 0.00 C ATOM 1900 O GLY A 119 -19.418 -6.833 1.612 1.00 0.00 O ATOM 0 H GLY A 119 -19.781 -4.003 2.928 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -17.515 -4.571 2.878 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -17.847 -6.023 3.801 1.00 0.00 H new ATOM 1904 N ILE A 120 -17.500 -5.950 0.874 1.00 0.00 N ATOM 1905 CA ILE A 120 -17.543 -6.673 -0.364 1.00 0.00 C ATOM 1906 C ILE A 120 -17.061 -8.081 -0.064 1.00 0.00 C ATOM 1907 O ILE A 120 -15.944 -8.261 0.379 1.00 0.00 O ATOM 1908 CB ILE A 120 -16.651 -6.030 -1.465 1.00 0.00 C ATOM 1909 CG1 ILE A 120 -16.870 -4.507 -1.521 1.00 0.00 C ATOM 1910 CG2 ILE A 120 -16.995 -6.639 -2.823 1.00 0.00 C ATOM 1911 CD1 ILE A 120 -18.313 -4.109 -1.737 1.00 0.00 C ATOM 0 H ILE A 120 -16.707 -5.316 0.974 1.00 0.00 H new ATOM 0 HA ILE A 120 -18.561 -6.662 -0.754 1.00 0.00 H new ATOM 0 HB ILE A 120 -15.607 -6.227 -1.223 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -16.515 -4.063 -0.591 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -16.263 -4.091 -2.325 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -16.369 -6.188 -3.593 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -16.817 -7.714 -2.795 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -18.044 -6.450 -3.051 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -18.390 -3.022 -1.765 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -18.667 -4.523 -2.681 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -18.923 -4.495 -0.920 1.00 0.00 H new ATOM 1923 N PRO A 121 -17.896 -9.086 -0.294 1.00 0.00 N ATOM 1924 CA PRO A 121 -17.617 -10.478 0.110 1.00 0.00 C ATOM 1925 C PRO A 121 -16.486 -11.164 -0.678 1.00 0.00 C ATOM 1926 O PRO A 121 -16.141 -12.319 -0.391 1.00 0.00 O ATOM 1927 CB PRO A 121 -18.954 -11.176 -0.163 1.00 0.00 C ATOM 1928 CG PRO A 121 -19.569 -10.383 -1.260 1.00 0.00 C ATOM 1929 CD PRO A 121 -19.207 -8.965 -0.972 1.00 0.00 C ATOM 0 HA PRO A 121 -17.267 -10.523 1.141 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -18.807 -12.215 -0.458 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -19.587 -11.184 0.725 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -19.189 -10.696 -2.232 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -20.651 -10.516 -1.283 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -19.136 -8.373 -1.885 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -19.947 -8.481 -0.335 1.00 0.00 H new ATOM 1937 N PHE A 122 -15.898 -10.450 -1.624 1.00 0.00 N ATOM 1938 CA PHE A 122 -14.868 -11.003 -2.524 1.00 0.00 C ATOM 1939 C PHE A 122 -14.413 -9.930 -3.492 1.00 0.00 C ATOM 1940 O PHE A 122 -15.200 -9.068 -3.855 1.00 0.00 O ATOM 1941 CB PHE A 122 -15.442 -12.196 -3.334 1.00 0.00 C ATOM 1942 CG PHE A 122 -14.449 -12.872 -4.254 1.00 0.00 C ATOM 1943 CD1 PHE A 122 -13.522 -13.770 -3.754 1.00 0.00 C ATOM 1944 CD2 PHE A 122 -14.442 -12.599 -5.617 1.00 0.00 C ATOM 1945 CE1 PHE A 122 -12.610 -14.384 -4.587 1.00 0.00 C ATOM 1946 CE2 PHE A 122 -13.529 -13.210 -6.454 1.00 0.00 C ATOM 1947 CZ PHE A 122 -12.613 -14.105 -5.937 1.00 0.00 C ATOM 0 H PHE A 122 -16.113 -9.469 -1.799 1.00 0.00 H new ATOM 0 HA PHE A 122 -14.028 -11.347 -1.921 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -15.833 -12.937 -2.636 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -16.285 -11.842 -3.928 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -13.513 -13.993 -2.697 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -15.158 -11.902 -6.026 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -11.894 -15.083 -4.182 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -13.531 -12.988 -7.511 1.00 0.00 H new ATOM 0 HZ PHE A 122 -11.900 -14.586 -6.590 1.00 0.00 H new ATOM 1957 N ARG A 123 -13.150 -9.952 -3.877 1.00 0.00 N ATOM 1958 CA ARG A 123 -12.652 -9.039 -4.882 1.00 0.00 C ATOM 1959 C ARG A 123 -11.448 -9.660 -5.552 1.00 0.00 C ATOM 1960 O ARG A 123 -10.822 -10.557 -4.981 1.00 0.00 O ATOM 1961 CB ARG A 123 -12.263 -7.688 -4.262 1.00 0.00 C ATOM 1962 CG ARG A 123 -10.996 -7.708 -3.428 1.00 0.00 C ATOM 1963 CD ARG A 123 -10.819 -6.393 -2.722 1.00 0.00 C ATOM 1964 NE ARG A 123 -9.526 -6.274 -2.035 1.00 0.00 N ATOM 1965 CZ ARG A 123 -9.361 -5.984 -0.736 1.00 0.00 C ATOM 1966 NH1 ARG A 123 -10.393 -6.040 0.106 1.00 0.00 N ATOM 1967 NH2 ARG A 123 -8.164 -5.641 -0.292 1.00 0.00 N ATOM 0 H ARG A 123 -12.451 -10.595 -3.506 1.00 0.00 H new ATOM 0 HA ARG A 123 -13.440 -8.857 -5.613 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -12.142 -6.959 -5.063 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -13.086 -7.341 -3.637 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -11.044 -8.517 -2.699 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -10.135 -7.905 -4.066 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -10.914 -5.584 -3.446 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -11.622 -6.267 -1.996 1.00 0.00 H new ATOM 0 HE ARG A 123 -8.685 -6.424 -2.592 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -11.317 -6.305 -0.236 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -10.259 -5.818 1.092 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -7.374 -5.598 -0.936 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -8.030 -5.419 0.695 1.00 0.00 H new ATOM 1981 N THR A 124 -11.127 -9.209 -6.728 1.00 0.00 N ATOM 1982 CA THR A 124 -9.916 -9.619 -7.376 1.00 0.00 C ATOM 1983 C THR A 124 -9.008 -8.356 -7.474 1.00 0.00 C ATOM 1984 O THR A 124 -9.440 -7.262 -7.073 1.00 0.00 O ATOM 1985 CB THR A 124 -10.209 -10.290 -8.754 1.00 0.00 C ATOM 1986 OG1 THR A 124 -11.299 -11.209 -8.600 1.00 0.00 O ATOM 1987 CG2 THR A 124 -9.000 -11.072 -9.252 1.00 0.00 C ATOM 0 H THR A 124 -11.693 -8.550 -7.263 1.00 0.00 H new ATOM 0 HA THR A 124 -9.396 -10.389 -6.806 1.00 0.00 H new ATOM 0 HB THR A 124 -10.448 -9.506 -9.472 1.00 0.00 H new ATOM 0 HG1 THR A 124 -12.147 -10.732 -8.715 1.00 0.00 H new ATOM 0 HG21 THR A 124 -9.233 -11.529 -10.214 1.00 0.00 H new ATOM 0 HG22 THR A 124 -8.152 -10.397 -9.367 1.00 0.00 H new ATOM 0 HG23 THR A 124 -8.749 -11.851 -8.532 1.00 0.00 H new ATOM 1995 N LYS A 125 -7.795 -8.490 -7.981 1.00 0.00 N ATOM 1996 CA LYS A 125 -6.805 -7.506 -7.963 1.00 0.00 C ATOM 1997 C LYS A 125 -7.225 -6.257 -8.720 1.00 0.00 C ATOM 1998 O LYS A 125 -7.270 -5.159 -8.150 1.00 0.00 O ATOM 1999 CB LYS A 125 -5.564 -8.207 -8.525 1.00 0.00 C ATOM 2000 CG LYS A 125 -4.288 -7.482 -8.464 1.00 0.00 C ATOM 2001 CD LYS A 125 -4.205 -6.291 -9.372 1.00 0.00 C ATOM 2002 CE LYS A 125 -4.233 -6.660 -10.831 1.00 0.00 C ATOM 2003 NZ LYS A 125 -3.966 -5.502 -11.702 1.00 0.00 N ATOM 0 H LYS A 125 -7.488 -9.350 -8.435 1.00 0.00 H new ATOM 0 HA LYS A 125 -6.605 -7.118 -6.964 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -5.441 -9.150 -7.992 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -5.761 -8.454 -9.568 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -4.120 -7.153 -7.438 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -3.481 -8.171 -8.714 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -5.036 -5.619 -9.157 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -3.288 -5.742 -9.159 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -3.491 -7.435 -11.022 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -5.207 -7.082 -11.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -3.894 -5.820 -12.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -4.742 -4.816 -11.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -3.073 -5.052 -11.417 1.00 0.00 H new ATOM 2017 N ALA A 126 -7.556 -6.430 -9.953 1.00 0.00 N ATOM 2018 CA ALA A 126 -7.932 -5.320 -10.799 1.00 0.00 C ATOM 2019 C ALA A 126 -9.262 -4.747 -10.377 1.00 0.00 C ATOM 2020 O ALA A 126 -9.550 -3.581 -10.623 1.00 0.00 O ATOM 2021 CB ALA A 126 -7.959 -5.730 -12.246 1.00 0.00 C ATOM 0 H ALA A 126 -7.578 -7.339 -10.415 1.00 0.00 H new ATOM 0 HA ALA A 126 -7.178 -4.541 -10.685 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -8.245 -4.876 -12.861 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -6.970 -6.077 -12.544 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -8.682 -6.534 -12.383 1.00 0.00 H new ATOM 2027 N GLU A 127 -10.055 -5.558 -9.701 1.00 0.00 N ATOM 2028 CA GLU A 127 -11.352 -5.119 -9.232 1.00 0.00 C ATOM 2029 C GLU A 127 -11.195 -4.205 -8.032 1.00 0.00 C ATOM 2030 O GLU A 127 -11.982 -3.281 -7.839 1.00 0.00 O ATOM 2031 CB GLU A 127 -12.219 -6.295 -8.866 1.00 0.00 C ATOM 2032 CG GLU A 127 -12.148 -7.402 -9.869 1.00 0.00 C ATOM 2033 CD GLU A 127 -13.318 -8.336 -9.770 1.00 0.00 C ATOM 2034 OE1 GLU A 127 -14.342 -8.069 -10.429 1.00 0.00 O ATOM 2035 OE2 GLU A 127 -13.249 -9.335 -9.023 1.00 0.00 O ATOM 0 H GLU A 127 -9.822 -6.523 -9.466 1.00 0.00 H new ATOM 0 HA GLU A 127 -11.835 -4.571 -10.041 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -11.915 -6.675 -7.890 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -13.253 -5.963 -8.771 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -12.108 -6.978 -10.872 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -11.225 -7.963 -9.723 1.00 0.00 H new ATOM 2042 N PHE A 128 -10.165 -4.460 -7.241 1.00 0.00 N ATOM 2043 CA PHE A 128 -9.853 -3.644 -6.091 1.00 0.00 C ATOM 2044 C PHE A 128 -9.468 -2.250 -6.532 1.00 0.00 C ATOM 2045 O PHE A 128 -10.031 -1.266 -6.069 1.00 0.00 O ATOM 2046 CB PHE A 128 -8.715 -4.276 -5.280 1.00 0.00 C ATOM 2047 CG PHE A 128 -8.130 -3.351 -4.240 1.00 0.00 C ATOM 2048 CD1 PHE A 128 -8.671 -3.268 -2.978 1.00 0.00 C ATOM 2049 CD2 PHE A 128 -7.030 -2.564 -4.548 1.00 0.00 C ATOM 2050 CE1 PHE A 128 -8.133 -2.417 -2.029 1.00 0.00 C ATOM 2051 CE2 PHE A 128 -6.484 -1.710 -3.611 1.00 0.00 C ATOM 2052 CZ PHE A 128 -7.035 -1.637 -2.347 1.00 0.00 C ATOM 0 H PHE A 128 -9.524 -5.241 -7.383 1.00 0.00 H new ATOM 0 HA PHE A 128 -10.738 -3.582 -5.457 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -9.086 -5.175 -4.788 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -7.924 -4.589 -5.962 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -9.527 -3.875 -2.725 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -6.595 -2.620 -5.535 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -8.569 -2.362 -1.042 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -5.629 -1.101 -3.866 1.00 0.00 H new ATOM 0 HZ PHE A 128 -6.610 -0.973 -1.609 1.00 0.00 H new ATOM 2062 N GLU A 129 -8.523 -2.171 -7.438 1.00 0.00 N ATOM 2063 CA GLU A 129 -8.078 -0.887 -7.933 1.00 0.00 C ATOM 2064 C GLU A 129 -9.200 -0.179 -8.713 1.00 0.00 C ATOM 2065 O GLU A 129 -9.239 1.039 -8.781 1.00 0.00 O ATOM 2066 CB GLU A 129 -6.774 -1.028 -8.724 1.00 0.00 C ATOM 2067 CG GLU A 129 -6.803 -2.140 -9.742 1.00 0.00 C ATOM 2068 CD GLU A 129 -5.533 -2.283 -10.540 1.00 0.00 C ATOM 2069 OE1 GLU A 129 -4.699 -1.361 -10.539 1.00 0.00 O ATOM 2070 OE2 GLU A 129 -5.344 -3.336 -11.182 1.00 0.00 O ATOM 0 H GLU A 129 -8.048 -2.976 -7.847 1.00 0.00 H new ATOM 0 HA GLU A 129 -7.847 -0.241 -7.086 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -6.563 -0.087 -9.232 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -5.954 -1.205 -8.028 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -7.004 -3.081 -9.230 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -7.632 -1.967 -10.428 1.00 0.00 H new ATOM 2077 N ASP A 130 -10.149 -0.971 -9.208 1.00 0.00 N ATOM 2078 CA ASP A 130 -11.337 -0.466 -9.908 1.00 0.00 C ATOM 2079 C ASP A 130 -12.286 0.208 -8.931 1.00 0.00 C ATOM 2080 O ASP A 130 -12.721 1.330 -9.132 1.00 0.00 O ATOM 2081 CB ASP A 130 -12.072 -1.611 -10.585 1.00 0.00 C ATOM 2082 CG ASP A 130 -13.413 -1.203 -11.156 1.00 0.00 C ATOM 2083 OD1 ASP A 130 -13.463 -0.613 -12.259 1.00 0.00 O ATOM 2084 OD2 ASP A 130 -14.443 -1.460 -10.488 1.00 0.00 O ATOM 0 H ASP A 130 -10.119 -1.988 -9.136 1.00 0.00 H new ATOM 0 HA ASP A 130 -11.006 0.257 -10.654 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -11.450 -2.011 -11.386 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -12.220 -2.415 -9.865 1.00 0.00 H new ATOM 2089 N VAL A 131 -12.606 -0.483 -7.874 1.00 0.00 N ATOM 2090 CA VAL A 131 -13.495 0.079 -6.875 1.00 0.00 C ATOM 2091 C VAL A 131 -12.805 1.245 -6.145 1.00 0.00 C ATOM 2092 O VAL A 131 -13.426 2.263 -5.844 1.00 0.00 O ATOM 2093 CB VAL A 131 -14.059 -1.006 -5.895 1.00 0.00 C ATOM 2094 CG1 VAL A 131 -12.963 -1.758 -5.187 1.00 0.00 C ATOM 2095 CG2 VAL A 131 -15.021 -0.402 -4.891 1.00 0.00 C ATOM 0 H VAL A 131 -12.274 -1.427 -7.675 1.00 0.00 H new ATOM 0 HA VAL A 131 -14.369 0.481 -7.387 1.00 0.00 H new ATOM 0 HB VAL A 131 -14.607 -1.721 -6.508 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -13.403 -2.499 -4.519 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -12.333 -2.260 -5.921 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -12.359 -1.060 -4.607 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -15.392 -1.183 -4.228 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -14.505 0.358 -4.304 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -15.859 0.054 -5.419 1.00 0.00 H new ATOM 2105 N ILE A 132 -11.506 1.120 -5.947 1.00 0.00 N ATOM 2106 CA ILE A 132 -10.708 2.159 -5.325 1.00 0.00 C ATOM 2107 C ILE A 132 -10.607 3.414 -6.199 1.00 0.00 C ATOM 2108 O ILE A 132 -10.632 4.536 -5.682 1.00 0.00 O ATOM 2109 CB ILE A 132 -9.307 1.620 -4.855 1.00 0.00 C ATOM 2110 CG1 ILE A 132 -9.354 1.192 -3.373 1.00 0.00 C ATOM 2111 CG2 ILE A 132 -8.167 2.602 -5.103 1.00 0.00 C ATOM 2112 CD1 ILE A 132 -10.401 0.146 -3.044 1.00 0.00 C ATOM 0 H ILE A 132 -10.973 0.292 -6.214 1.00 0.00 H new ATOM 0 HA ILE A 132 -11.232 2.469 -4.421 1.00 0.00 H new ATOM 0 HB ILE A 132 -9.093 0.746 -5.470 1.00 0.00 H new ATOM 0 HG12 ILE A 132 -8.375 0.806 -3.090 1.00 0.00 H new ATOM 0 HG13 ILE A 132 -9.538 2.075 -2.761 1.00 0.00 H new ATOM 0 HG21 ILE A 132 -7.230 2.167 -4.756 1.00 0.00 H new ATOM 0 HG22 ILE A 132 -8.095 2.814 -6.170 1.00 0.00 H new ATOM 0 HG23 ILE A 132 -8.360 3.528 -4.561 1.00 0.00 H new ATOM 0 HD11 ILE A 132 -10.358 -0.090 -1.981 1.00 0.00 H new ATOM 0 HD12 ILE A 132 -11.390 0.532 -3.290 1.00 0.00 H new ATOM 0 HD13 ILE A 132 -10.209 -0.756 -3.624 1.00 0.00 H new ATOM 2124 N GLU A 133 -10.550 3.246 -7.515 1.00 0.00 N ATOM 2125 CA GLU A 133 -10.494 4.404 -8.383 1.00 0.00 C ATOM 2126 C GLU A 133 -11.839 5.140 -8.393 1.00 0.00 C ATOM 2127 O GLU A 133 -11.907 6.342 -8.657 1.00 0.00 O ATOM 2128 CB GLU A 133 -10.024 4.076 -9.794 1.00 0.00 C ATOM 2129 CG GLU A 133 -10.927 3.165 -10.557 1.00 0.00 C ATOM 2130 CD GLU A 133 -10.458 2.912 -11.947 1.00 0.00 C ATOM 2131 OE1 GLU A 133 -9.471 2.170 -12.132 1.00 0.00 O ATOM 2132 OE2 GLU A 133 -11.059 3.471 -12.887 1.00 0.00 O ATOM 0 H GLU A 133 -10.542 2.343 -7.990 1.00 0.00 H new ATOM 0 HA GLU A 133 -9.738 5.070 -7.968 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -9.914 5.006 -10.351 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -9.035 3.620 -9.736 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -11.007 2.215 -10.028 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -11.927 3.597 -10.590 1.00 0.00 H new ATOM 2139 N HIS A 134 -12.893 4.411 -8.070 1.00 0.00 N ATOM 2140 CA HIS A 134 -14.223 4.970 -7.965 1.00 0.00 C ATOM 2141 C HIS A 134 -14.307 5.725 -6.623 1.00 0.00 C ATOM 2142 O HIS A 134 -14.857 6.790 -6.531 1.00 0.00 O ATOM 2143 CB HIS A 134 -15.247 3.830 -8.011 1.00 0.00 C ATOM 2144 CG HIS A 134 -16.648 4.222 -8.399 1.00 0.00 C ATOM 2145 ND1 HIS A 134 -17.439 3.471 -9.240 1.00 0.00 N ATOM 2146 CD2 HIS A 134 -17.411 5.272 -8.017 1.00 0.00 C ATOM 2147 CE1 HIS A 134 -18.624 4.071 -9.341 1.00 0.00 C ATOM 2148 NE2 HIS A 134 -18.661 5.169 -8.615 1.00 0.00 N ATOM 0 H HIS A 134 -12.847 3.411 -7.873 1.00 0.00 H new ATOM 0 HA HIS A 134 -14.434 5.655 -8.786 1.00 0.00 H new ATOM 0 HB2 HIS A 134 -14.893 3.077 -8.715 1.00 0.00 H new ATOM 0 HB3 HIS A 134 -15.281 3.358 -7.029 1.00 0.00 H new ATOM 0 HD1 HIS A 134 -17.165 2.605 -9.705 1.00 0.00 H new ATOM 0 HD2 HIS A 134 -17.098 6.064 -7.353 1.00 0.00 H new ATOM 0 HE1 HIS A 134 -19.446 3.705 -9.939 1.00 0.00 H new ATOM 2156 N MET A 135 -13.725 5.148 -5.600 1.00 0.00 N ATOM 2157 CA MET A 135 -13.645 5.772 -4.267 1.00 0.00 C ATOM 2158 C MET A 135 -12.886 7.098 -4.335 1.00 0.00 C ATOM 2159 O MET A 135 -13.334 8.126 -3.802 1.00 0.00 O ATOM 2160 CB MET A 135 -12.930 4.858 -3.266 1.00 0.00 C ATOM 2161 CG MET A 135 -13.546 3.475 -3.012 1.00 0.00 C ATOM 2162 SD MET A 135 -15.212 3.493 -2.310 1.00 0.00 S ATOM 2163 CE MET A 135 -16.265 3.667 -3.754 1.00 0.00 C ATOM 0 H MET A 135 -13.286 4.228 -5.651 1.00 0.00 H new ATOM 0 HA MET A 135 -14.669 5.944 -3.934 1.00 0.00 H new ATOM 0 HB2 MET A 135 -11.907 4.713 -3.613 1.00 0.00 H new ATOM 0 HB3 MET A 135 -12.872 5.382 -2.312 1.00 0.00 H new ATOM 0 HG2 MET A 135 -13.572 2.928 -3.954 1.00 0.00 H new ATOM 0 HG3 MET A 135 -12.891 2.921 -2.339 1.00 0.00 H new ATOM 0 HE1 MET A 135 -16.839 4.590 -3.677 1.00 0.00 H new ATOM 0 HE2 MET A 135 -15.648 3.697 -4.652 1.00 0.00 H new ATOM 0 HE3 MET A 135 -16.948 2.819 -3.811 1.00 0.00 H new ATOM 2173 N LYS A 136 -11.751 7.088 -5.028 1.00 0.00 N ATOM 2174 CA LYS A 136 -10.922 8.282 -5.156 1.00 0.00 C ATOM 2175 C LYS A 136 -11.578 9.290 -6.083 1.00 0.00 C ATOM 2176 O LYS A 136 -11.230 10.459 -6.083 1.00 0.00 O ATOM 2177 CB LYS A 136 -9.502 7.968 -5.618 1.00 0.00 C ATOM 2178 CG LYS A 136 -9.404 7.510 -7.045 1.00 0.00 C ATOM 2179 CD LYS A 136 -7.988 7.113 -7.424 1.00 0.00 C ATOM 2180 CE LYS A 136 -7.457 6.000 -6.536 1.00 0.00 C ATOM 2181 NZ LYS A 136 -6.128 5.532 -6.968 1.00 0.00 N ATOM 0 H LYS A 136 -11.385 6.267 -5.509 1.00 0.00 H new ATOM 0 HA LYS A 136 -10.838 8.717 -4.160 1.00 0.00 H new ATOM 0 HB2 LYS A 136 -8.886 8.858 -5.491 1.00 0.00 H new ATOM 0 HB3 LYS A 136 -9.084 7.196 -4.971 1.00 0.00 H new ATOM 0 HG2 LYS A 136 -10.071 6.662 -7.199 1.00 0.00 H new ATOM 0 HG3 LYS A 136 -9.745 8.308 -7.705 1.00 0.00 H new ATOM 0 HD2 LYS A 136 -7.968 6.789 -8.464 1.00 0.00 H new ATOM 0 HD3 LYS A 136 -7.334 7.982 -7.348 1.00 0.00 H new ATOM 0 HE2 LYS A 136 -7.399 6.354 -5.507 1.00 0.00 H new ATOM 0 HE3 LYS A 136 -8.156 5.164 -6.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 -5.804 4.773 -6.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 -6.187 5.169 -7.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 -5.453 6.323 -6.934 1.00 0.00 H new ATOM 2195 N THR A 137 -12.527 8.814 -6.887 1.00 0.00 N ATOM 2196 CA THR A 137 -13.284 9.654 -7.772 1.00 0.00 C ATOM 2197 C THR A 137 -14.120 10.640 -6.914 1.00 0.00 C ATOM 2198 O THR A 137 -14.476 11.727 -7.354 1.00 0.00 O ATOM 2199 CB THR A 137 -14.160 8.769 -8.746 1.00 0.00 C ATOM 2200 OG1 THR A 137 -13.850 9.031 -10.117 1.00 0.00 O ATOM 2201 CG2 THR A 137 -15.659 8.900 -8.511 1.00 0.00 C ATOM 0 H THR A 137 -12.783 7.828 -6.932 1.00 0.00 H new ATOM 0 HA THR A 137 -12.629 10.244 -8.413 1.00 0.00 H new ATOM 0 HB THR A 137 -13.895 7.738 -8.512 1.00 0.00 H new ATOM 0 HG1 THR A 137 -14.408 8.467 -10.692 1.00 0.00 H new ATOM 0 HG21 THR A 137 -16.195 8.264 -9.216 1.00 0.00 H new ATOM 0 HG22 THR A 137 -15.896 8.592 -7.492 1.00 0.00 H new ATOM 0 HG23 THR A 137 -15.961 9.937 -8.656 1.00 0.00 H new ATOM 2209 N TYR A 138 -14.381 10.243 -5.663 1.00 0.00 N ATOM 2210 CA TYR A 138 -15.030 11.087 -4.717 1.00 0.00 C ATOM 2211 C TYR A 138 -13.966 11.835 -3.942 1.00 0.00 C ATOM 2212 O TYR A 138 -13.876 13.056 -4.017 1.00 0.00 O ATOM 2213 CB TYR A 138 -15.911 10.241 -3.794 1.00 0.00 C ATOM 2214 CG TYR A 138 -17.010 9.556 -4.553 1.00 0.00 C ATOM 2215 CD1 TYR A 138 -18.003 10.305 -5.140 1.00 0.00 C ATOM 2216 CD2 TYR A 138 -17.049 8.175 -4.710 1.00 0.00 C ATOM 2217 CE1 TYR A 138 -19.010 9.721 -5.863 1.00 0.00 C ATOM 2218 CE2 TYR A 138 -18.046 7.588 -5.432 1.00 0.00 C ATOM 2219 CZ TYR A 138 -19.027 8.364 -6.013 1.00 0.00 C ATOM 2220 OH TYR A 138 -20.046 7.768 -6.716 1.00 0.00 O ATOM 0 H TYR A 138 -14.138 9.321 -5.301 1.00 0.00 H new ATOM 0 HA TYR A 138 -15.676 11.809 -5.216 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -15.298 9.495 -3.288 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -16.343 10.876 -3.021 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -17.989 11.379 -5.028 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -16.284 7.562 -4.257 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -19.783 10.328 -6.310 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -18.067 6.515 -5.549 1.00 0.00 H new ATOM 0 HH TYR A 138 -19.687 7.026 -7.246 1.00 0.00 H new ATOM 2230 N SER A 139 -13.124 11.066 -3.242 1.00 0.00 N ATOM 2231 CA SER A 139 -11.980 11.544 -2.439 1.00 0.00 C ATOM 2232 C SER A 139 -12.357 12.624 -1.407 1.00 0.00 C ATOM 2233 O SER A 139 -11.488 13.316 -0.870 1.00 0.00 O ATOM 2234 CB SER A 139 -10.826 12.016 -3.347 1.00 0.00 C ATOM 2235 OG SER A 139 -11.188 13.144 -4.145 1.00 0.00 O ATOM 0 H SER A 139 -13.220 10.051 -3.215 1.00 0.00 H new ATOM 0 HA SER A 139 -11.640 10.686 -1.859 1.00 0.00 H new ATOM 0 HB2 SER A 139 -9.964 12.272 -2.731 1.00 0.00 H new ATOM 0 HB3 SER A 139 -10.521 11.197 -3.998 1.00 0.00 H new ATOM 0 HG SER A 139 -12.110 13.406 -3.942 1.00 0.00 H new ATOM 2241 N GLY A 140 -13.618 12.730 -1.106 1.00 0.00 N ATOM 2242 CA GLY A 140 -14.086 13.736 -0.260 1.00 0.00 C ATOM 2243 C GLY A 140 -15.504 13.832 -0.551 1.00 0.00 C ATOM 2244 O GLY A 140 -16.069 14.927 -0.504 1.00 0.00 O ATOM 2245 OXT GLY A 140 -16.061 12.777 -0.932 1.00 0.00 O ATOM 0 H GLY A 140 -14.342 12.103 -1.456 1.00 0.00 H new ATOM 0 HA2 GLY A 140 -13.913 13.486 0.787 1.00 0.00 H new ATOM 0 HA3 GLY A 140 -13.578 14.681 -0.450 1.00 0.00 H new TER 2249 GLY A 140