USER MOD reduce.3.24.130724 H: found=0, std=0, add=1075, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1075 hydrogens (27 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 110 LYS NZ :NH3+ -140:sc= -0.0281 (180deg=-0.168) USER MOD Set 1.2: A 113 LYS NZ :NH3+ -104:sc= -0.0948 (180deg=-0.873) USER MOD Set 2.1: A 29 TYR OH : rot 70:sc= 0.412 USER MOD Set 2.2: A 97 THR OG1 : rot -130:sc= 0.548 USER MOD Set 3.1: A 67 SER OG : rot 29:sc= 0.567 USER MOD Set 3.2: A 70 THR OG1 : rot 180:sc= -0.0964 USER MOD Set 4.1: A 65 GLN : amide:sc= -0.0189 X(o=-0.019,f=0) USER MOD Set 4.2: A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -144:sc= 0.0141 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 163:sc= -0.0107 (180deg=-0.181) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -2.01 K(o=-2,f=-3) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0331) USER MOD Single : A 33 HIS : no HD1:sc= 0.804 K(o=0.8,f=-6!) USER MOD Single : A 38 SER OG : rot 110:sc= -0.603 USER MOD Single : A 47 ASN : amide:sc= -0.0175 K(o=-0.018,f=-1.3) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.247 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot -130:sc= -0.784 USER MOD Single : A 59 GLN : amide:sc= -0.231 K(o=-0.23,f=-1.6!) USER MOD Single : A 63 GLN : amide:sc= -0.049 X(o=-0.049,f=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 72 SER OG : rot 180:sc= 0.0894 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.316 K(o=-0.32,f=-2) USER MOD Single : A 81 THR OG1 : rot 89:sc= 0.00402 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 180:sc= -2.55 USER MOD Single : A 89 HIS : no HD1:sc= -0.357 K(o=-0.36,f=-2.5) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0.013) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ -120:sc= 0.733 (180deg=-0.529) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= -0.139 X(o=-0.14,f=-0.14) USER MOD Single : A 109 ASN : amide:sc= -0.0483 X(o=-0.048,f=-0.15) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 THR OG1 : rot 180:sc= -0.303 USER MOD Single : A 124 ASN : amide:sc= -0.318 K(o=-0.32,f=-2.7) USER MOD Single : A 125 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 GLN : amide:sc= -0.195 K(o=-0.19,f=-2!) USER MOD Single : A 129 SER OG : rot 180:sc= 0.0163 USER MOD Single : A 130 GLN : amide:sc= 0 X(o=0,f=-0.0064) USER MOD Single : A 131 ASN : amide:sc= -0.113 K(o=-0.11,f=-2!) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 1.996 7.851 8.283 1.00 61.33 N ATOM 2 CA GLY A 2 2.474 7.513 9.610 1.00 64.34 C ATOM 3 C GLY A 2 1.535 6.577 10.344 1.00 62.15 C ATOM 4 O GLY A 2 1.388 6.664 11.564 1.00 23.35 O ATOM 0 HA2 GLY A 2 3.457 7.048 9.531 1.00 64.34 H new ATOM 0 HA3 GLY A 2 2.599 8.427 10.191 1.00 64.34 H new ATOM 8 N ALA A 3 0.896 5.679 9.602 1.00 3.45 N ATOM 9 CA ALA A 3 -0.034 4.723 10.189 1.00 5.11 C ATOM 10 C ALA A 3 -1.100 5.432 11.016 1.00 44.10 C ATOM 11 O ALA A 3 -1.278 5.140 12.199 1.00 31.30 O ATOM 12 CB ALA A 3 0.717 3.714 11.045 1.00 42.45 C ATOM 0 H ALA A 3 1.006 5.594 8.592 1.00 3.45 H new ATOM 0 HA ALA A 3 -0.534 4.194 9.378 1.00 5.11 H new ATOM 0 HB1 ALA A 3 0.010 3.006 11.477 1.00 42.45 H new ATOM 0 HB2 ALA A 3 1.437 3.177 10.427 1.00 42.45 H new ATOM 0 HB3 ALA A 3 1.243 4.235 11.845 1.00 42.45 H new ATOM 18 N ARG A 4 -1.809 6.364 10.387 1.00 72.15 N ATOM 19 CA ARG A 4 -2.856 7.116 11.067 1.00 1.22 C ATOM 20 C ARG A 4 -3.850 7.692 10.063 1.00 20.14 C ATOM 21 O ARG A 4 -4.239 8.856 10.157 1.00 1.11 O ATOM 22 CB ARG A 4 -2.246 8.244 11.900 1.00 61.31 C ATOM 23 CG ARG A 4 -1.459 9.251 11.078 1.00 53.24 C ATOM 24 CD ARG A 4 -1.175 10.517 11.872 1.00 54.50 C ATOM 25 NE ARG A 4 -0.871 11.652 11.003 1.00 64.23 N ATOM 26 CZ ARG A 4 -0.577 12.866 11.456 1.00 74.41 C ATOM 27 NH1 ARG A 4 -0.547 13.102 12.760 1.00 70.51 N ATOM 28 NH2 ARG A 4 -0.312 13.846 10.603 1.00 11.50 N ATOM 0 H ARG A 4 -1.677 6.616 9.407 1.00 72.15 H new ATOM 0 HA ARG A 4 -3.388 6.432 11.729 1.00 1.22 H new ATOM 0 HB2 ARG A 4 -3.043 8.765 12.430 1.00 61.31 H new ATOM 0 HB3 ARG A 4 -1.590 7.812 12.656 1.00 61.31 H new ATOM 0 HG2 ARG A 4 -0.519 8.804 10.755 1.00 53.24 H new ATOM 0 HG3 ARG A 4 -2.018 9.503 10.177 1.00 53.24 H new ATOM 0 HD2 ARG A 4 -2.038 10.757 12.493 1.00 54.50 H new ATOM 0 HD3 ARG A 4 -0.336 10.342 12.546 1.00 54.50 H new ATOM 0 HE ARG A 4 -0.885 11.504 9.994 1.00 64.23 H new ATOM 0 HH11 ARG A 4 -0.750 12.350 13.419 1.00 70.51 H new ATOM 0 HH12 ARG A 4 -0.321 14.035 13.104 1.00 70.51 H new ATOM 0 HH21 ARG A 4 -0.334 13.668 9.599 1.00 11.50 H new ATOM 0 HH22 ARG A 4 -0.086 14.778 10.951 1.00 11.50 H new ATOM 42 N ALA A 5 -4.256 6.870 9.101 1.00 41.20 N ATOM 43 CA ALA A 5 -5.205 7.297 8.080 1.00 51.14 C ATOM 44 C ALA A 5 -6.147 6.161 7.696 1.00 13.11 C ATOM 45 O ALA A 5 -6.138 5.097 8.317 1.00 12.33 O ATOM 46 CB ALA A 5 -4.465 7.810 6.853 1.00 23.41 C ATOM 0 H ALA A 5 -3.942 5.904 9.007 1.00 41.20 H new ATOM 0 HA ALA A 5 -5.806 8.107 8.494 1.00 51.14 H new ATOM 0 HB1 ALA A 5 -5.186 8.125 6.099 1.00 23.41 H new ATOM 0 HB2 ALA A 5 -3.839 8.657 7.133 1.00 23.41 H new ATOM 0 HB3 ALA A 5 -3.839 7.015 6.447 1.00 23.41 H new ATOM 52 N SER A 6 -6.959 6.393 6.670 1.00 50.11 N ATOM 53 CA SER A 6 -7.911 5.390 6.206 1.00 53.03 C ATOM 54 C SER A 6 -7.976 5.367 4.682 1.00 41.02 C ATOM 55 O SER A 6 -8.690 6.159 4.067 1.00 62.02 O ATOM 56 CB SER A 6 -9.300 5.668 6.784 1.00 11.14 C ATOM 57 OG SER A 6 -9.946 4.464 7.159 1.00 43.10 O ATOM 0 H SER A 6 -6.977 7.267 6.144 1.00 50.11 H new ATOM 0 HA SER A 6 -7.571 4.414 6.552 1.00 53.03 H new ATOM 0 HB2 SER A 6 -9.212 6.323 7.651 1.00 11.14 H new ATOM 0 HB3 SER A 6 -9.906 6.195 6.047 1.00 11.14 H new ATOM 0 HG SER A 6 -10.831 4.668 7.527 1.00 43.10 H new ATOM 63 N VAL A 7 -7.224 4.452 4.077 1.00 2.51 N ATOM 64 CA VAL A 7 -7.197 4.324 2.625 1.00 14.25 C ATOM 65 C VAL A 7 -7.346 2.868 2.199 1.00 32.12 C ATOM 66 O VAL A 7 -8.054 2.558 1.241 1.00 2.52 O ATOM 67 CB VAL A 7 -5.891 4.889 2.037 1.00 34.34 C ATOM 68 CG1 VAL A 7 -5.803 4.591 0.547 1.00 52.34 C ATOM 69 CG2 VAL A 7 -5.791 6.384 2.297 1.00 2.13 C ATOM 0 H VAL A 7 -6.626 3.789 4.570 1.00 2.51 H new ATOM 0 HA VAL A 7 -8.039 4.900 2.240 1.00 14.25 H new ATOM 0 HB VAL A 7 -5.051 4.402 2.531 1.00 34.34 H new ATOM 0 HG11 VAL A 7 -4.873 4.998 0.149 1.00 52.34 H new ATOM 0 HG12 VAL A 7 -5.824 3.513 0.390 1.00 52.34 H new ATOM 0 HG13 VAL A 7 -6.649 5.049 0.034 1.00 52.34 H new ATOM 0 HG21 VAL A 7 -4.862 6.765 1.874 1.00 2.13 H new ATOM 0 HG22 VAL A 7 -6.636 6.891 1.832 1.00 2.13 H new ATOM 0 HG23 VAL A 7 -5.803 6.568 3.371 1.00 2.13 H new ATOM 79 N LEU A 8 -6.673 1.975 2.917 1.00 41.11 N ATOM 80 CA LEU A 8 -6.730 0.549 2.615 1.00 2.11 C ATOM 81 C LEU A 8 -8.092 -0.032 2.985 1.00 11.43 C ATOM 82 O LEU A 8 -8.634 0.261 4.050 1.00 45.53 O ATOM 83 CB LEU A 8 -5.625 -0.196 3.364 1.00 70.03 C ATOM 84 CG LEU A 8 -4.195 0.071 2.892 1.00 2.40 C ATOM 85 CD1 LEU A 8 -3.271 0.283 4.081 1.00 30.14 C ATOM 86 CD2 LEU A 8 -3.697 -1.074 2.023 1.00 2.04 C ATOM 0 H LEU A 8 -6.081 2.214 3.713 1.00 41.11 H new ATOM 0 HA LEU A 8 -6.581 0.424 1.542 1.00 2.11 H new ATOM 0 HB2 LEU A 8 -5.692 0.063 4.421 1.00 70.03 H new ATOM 0 HB3 LEU A 8 -5.818 -1.266 3.285 1.00 70.03 H new ATOM 0 HG LEU A 8 -4.195 0.981 2.292 1.00 2.40 H new ATOM 0 HD11 LEU A 8 -2.258 0.472 3.725 1.00 30.14 H new ATOM 0 HD12 LEU A 8 -3.617 1.138 4.662 1.00 30.14 H new ATOM 0 HD13 LEU A 8 -3.275 -0.608 4.709 1.00 30.14 H new ATOM 0 HD21 LEU A 8 -2.678 -0.866 1.696 1.00 2.04 H new ATOM 0 HD22 LEU A 8 -3.712 -2.000 2.598 1.00 2.04 H new ATOM 0 HD23 LEU A 8 -4.343 -1.177 1.151 1.00 2.04 H new ATOM 98 N SER A 9 -8.637 -0.858 2.098 1.00 63.11 N ATOM 99 CA SER A 9 -9.937 -1.479 2.330 1.00 74.14 C ATOM 100 C SER A 9 -9.793 -2.734 3.185 1.00 21.44 C ATOM 101 O SER A 9 -8.750 -2.970 3.792 1.00 33.00 O ATOM 102 CB SER A 9 -10.604 -1.827 0.998 1.00 62.35 C ATOM 103 OG SER A 9 -11.982 -1.497 1.016 1.00 50.33 O ATOM 0 H SER A 9 -8.200 -1.113 1.213 1.00 63.11 H new ATOM 0 HA SER A 9 -10.564 -0.766 2.866 1.00 74.14 H new ATOM 0 HB2 SER A 9 -10.109 -1.290 0.189 1.00 62.35 H new ATOM 0 HB3 SER A 9 -10.484 -2.891 0.795 1.00 62.35 H new ATOM 0 HG SER A 9 -12.385 -1.727 0.153 1.00 50.33 H new ATOM 109 N GLY A 10 -10.851 -3.539 3.226 1.00 32.43 N ATOM 110 CA GLY A 10 -10.823 -4.761 4.007 1.00 41.24 C ATOM 111 C GLY A 10 -10.144 -5.902 3.277 1.00 41.03 C ATOM 112 O GLY A 10 -9.237 -6.539 3.812 1.00 2.44 O ATOM 0 H GLY A 10 -11.727 -3.366 2.732 1.00 32.43 H new ATOM 0 HA2 GLY A 10 -10.304 -4.575 4.947 1.00 41.24 H new ATOM 0 HA3 GLY A 10 -11.843 -5.051 4.258 1.00 41.24 H new ATOM 116 N GLY A 11 -10.585 -6.163 2.050 1.00 34.11 N ATOM 117 CA GLY A 11 -10.003 -7.237 1.266 1.00 0.55 C ATOM 118 C GLY A 11 -8.572 -6.948 0.859 1.00 71.13 C ATOM 119 O GLY A 11 -7.833 -7.856 0.479 1.00 2.03 O ATOM 0 H GLY A 11 -11.334 -5.650 1.585 1.00 34.11 H new ATOM 0 HA2 GLY A 11 -10.034 -8.161 1.843 1.00 0.55 H new ATOM 0 HA3 GLY A 11 -10.606 -7.398 0.372 1.00 0.55 H new ATOM 123 N GLU A 12 -8.180 -5.680 0.938 1.00 21.42 N ATOM 124 CA GLU A 12 -6.828 -5.275 0.572 1.00 73.14 C ATOM 125 C GLU A 12 -5.894 -5.349 1.777 1.00 15.14 C ATOM 126 O GLU A 12 -4.720 -5.699 1.646 1.00 33.53 O ATOM 127 CB GLU A 12 -6.833 -3.854 0.004 1.00 52.05 C ATOM 128 CG GLU A 12 -6.877 -3.806 -1.514 1.00 71.30 C ATOM 129 CD GLU A 12 -8.230 -3.376 -2.046 1.00 53.35 C ATOM 130 OE1 GLU A 12 -8.440 -2.157 -2.216 1.00 5.42 O ATOM 131 OE2 GLU A 12 -9.078 -4.258 -2.290 1.00 25.22 O ATOM 0 H GLU A 12 -8.779 -4.916 1.252 1.00 21.42 H new ATOM 0 HA GLU A 12 -6.464 -5.962 -0.192 1.00 73.14 H new ATOM 0 HB2 GLU A 12 -7.694 -3.316 0.401 1.00 52.05 H new ATOM 0 HB3 GLU A 12 -5.942 -3.330 0.350 1.00 52.05 H new ATOM 0 HG2 GLU A 12 -6.114 -3.116 -1.874 1.00 71.30 H new ATOM 0 HG3 GLU A 12 -6.631 -4.790 -1.912 1.00 71.30 H new ATOM 138 N LEU A 13 -6.422 -5.016 2.949 1.00 41.02 N ATOM 139 CA LEU A 13 -5.636 -5.043 4.179 1.00 24.44 C ATOM 140 C LEU A 13 -5.224 -6.470 4.529 1.00 35.02 C ATOM 141 O LEU A 13 -4.043 -6.752 4.732 1.00 73.33 O ATOM 142 CB LEU A 13 -6.435 -4.434 5.332 1.00 33.22 C ATOM 143 CG LEU A 13 -5.614 -3.781 6.445 1.00 64.11 C ATOM 144 CD1 LEU A 13 -4.374 -4.607 6.747 1.00 53.32 C ATOM 145 CD2 LEU A 13 -5.231 -2.359 6.060 1.00 63.12 C ATOM 0 H LEU A 13 -7.391 -4.724 3.075 1.00 41.02 H new ATOM 0 HA LEU A 13 -4.734 -4.452 4.018 1.00 24.44 H new ATOM 0 HB2 LEU A 13 -7.114 -3.686 4.922 1.00 33.22 H new ATOM 0 HB3 LEU A 13 -7.052 -5.217 5.774 1.00 33.22 H new ATOM 0 HG LEU A 13 -6.225 -3.739 7.346 1.00 64.11 H new ATOM 0 HD11 LEU A 13 -3.802 -4.127 7.541 1.00 53.32 H new ATOM 0 HD12 LEU A 13 -4.671 -5.606 7.066 1.00 53.32 H new ATOM 0 HD13 LEU A 13 -3.759 -4.681 5.850 1.00 53.32 H new ATOM 0 HD21 LEU A 13 -4.647 -1.909 6.863 1.00 63.12 H new ATOM 0 HD22 LEU A 13 -4.637 -2.377 5.146 1.00 63.12 H new ATOM 0 HD23 LEU A 13 -6.134 -1.771 5.895 1.00 63.12 H new ATOM 157 N ASP A 14 -6.203 -7.365 4.594 1.00 44.40 N ATOM 158 CA ASP A 14 -5.942 -8.763 4.916 1.00 12.00 C ATOM 159 C ASP A 14 -5.016 -9.395 3.882 1.00 14.32 C ATOM 160 O ASP A 14 -4.093 -10.133 4.227 1.00 64.34 O ATOM 161 CB ASP A 14 -7.254 -9.545 4.989 1.00 10.10 C ATOM 162 CG ASP A 14 -7.870 -9.515 6.374 1.00 71.23 C ATOM 163 OD1 ASP A 14 -7.380 -8.742 7.225 1.00 21.14 O ATOM 164 OD2 ASP A 14 -8.841 -10.264 6.609 1.00 63.32 O ATOM 0 H ASP A 14 -7.186 -7.147 4.428 1.00 44.40 H new ATOM 0 HA ASP A 14 -5.451 -8.801 5.888 1.00 12.00 H new ATOM 0 HB2 ASP A 14 -7.961 -9.130 4.271 1.00 10.10 H new ATOM 0 HB3 ASP A 14 -7.074 -10.580 4.697 1.00 10.10 H new ATOM 169 N LYS A 15 -5.267 -9.100 2.611 1.00 2.41 N ATOM 170 CA LYS A 15 -4.456 -9.637 1.526 1.00 24.33 C ATOM 171 C LYS A 15 -3.053 -9.039 1.546 1.00 71.51 C ATOM 172 O LYS A 15 -2.068 -9.734 1.294 1.00 65.14 O ATOM 173 CB LYS A 15 -5.122 -9.356 0.177 1.00 3.10 C ATOM 174 CG LYS A 15 -6.276 -10.292 -0.138 1.00 10.25 C ATOM 175 CD LYS A 15 -6.925 -9.948 -1.470 1.00 62.34 C ATOM 176 CE LYS A 15 -8.173 -10.783 -1.712 1.00 35.25 C ATOM 177 NZ LYS A 15 -9.418 -10.003 -1.473 1.00 30.02 N ATOM 0 H LYS A 15 -6.027 -8.491 2.307 1.00 2.41 H new ATOM 0 HA LYS A 15 -4.374 -10.715 1.667 1.00 24.33 H new ATOM 0 HB2 LYS A 15 -5.486 -8.328 0.168 1.00 3.10 H new ATOM 0 HB3 LYS A 15 -4.374 -9.437 -0.612 1.00 3.10 H new ATOM 0 HG2 LYS A 15 -5.915 -11.320 -0.163 1.00 10.25 H new ATOM 0 HG3 LYS A 15 -7.020 -10.234 0.656 1.00 10.25 H new ATOM 0 HD2 LYS A 15 -7.185 -8.890 -1.487 1.00 62.34 H new ATOM 0 HD3 LYS A 15 -6.212 -10.114 -2.277 1.00 62.34 H new ATOM 0 HE2 LYS A 15 -8.168 -11.154 -2.737 1.00 35.25 H new ATOM 0 HE3 LYS A 15 -8.159 -11.654 -1.057 1.00 35.25 H new ATOM 0 HZ1 LYS A 15 -10.140 -10.622 -1.052 1.00 30.02 H new ATOM 0 HZ2 LYS A 15 -9.215 -9.216 -0.824 1.00 30.02 H new ATOM 0 HZ3 LYS A 15 -9.770 -9.625 -2.376 1.00 30.02 H new ATOM 191 N TRP A 16 -2.969 -7.749 1.848 1.00 64.31 N ATOM 192 CA TRP A 16 -1.686 -7.058 1.904 1.00 34.11 C ATOM 193 C TRP A 16 -0.722 -7.775 2.842 1.00 43.32 C ATOM 194 O TRP A 16 0.443 -7.985 2.508 1.00 24.21 O ATOM 195 CB TRP A 16 -1.881 -5.612 2.359 1.00 13.11 C ATOM 196 CG TRP A 16 -0.596 -4.850 2.484 1.00 63.44 C ATOM 197 CD1 TRP A 16 0.044 -4.505 3.641 1.00 21.33 C ATOM 198 CD2 TRP A 16 0.203 -4.337 1.413 1.00 11.41 C ATOM 199 NE1 TRP A 16 1.192 -3.809 3.353 1.00 72.45 N ATOM 200 CE2 TRP A 16 1.314 -3.693 1.994 1.00 0.21 C ATOM 201 CE3 TRP A 16 0.090 -4.360 0.020 1.00 74.43 C ATOM 202 CZ2 TRP A 16 2.301 -3.079 1.228 1.00 55.15 C ATOM 203 CZ3 TRP A 16 1.072 -3.750 -0.738 1.00 65.15 C ATOM 204 CH2 TRP A 16 2.166 -3.116 -0.132 1.00 31.54 C ATOM 0 H TRP A 16 -3.775 -7.160 2.058 1.00 64.31 H new ATOM 0 HA TRP A 16 -1.257 -7.060 0.902 1.00 34.11 H new ATOM 0 HB2 TRP A 16 -2.531 -5.100 1.650 1.00 13.11 H new ATOM 0 HB3 TRP A 16 -2.393 -5.607 3.321 1.00 13.11 H new ATOM 0 HD1 TRP A 16 -0.302 -4.745 4.636 1.00 21.33 H new ATOM 0 HE1 TRP A 16 1.848 -3.438 4.040 1.00 72.45 H new ATOM 0 HE3 TRP A 16 -0.749 -4.846 -0.456 1.00 74.43 H new ATOM 0 HZ2 TRP A 16 3.145 -2.590 1.692 1.00 55.15 H new ATOM 0 HZ3 TRP A 16 0.995 -3.762 -1.815 1.00 65.15 H new ATOM 0 HH2 TRP A 16 2.917 -2.648 -0.752 1.00 31.54 H new ATOM 215 N GLU A 17 -1.217 -8.147 4.020 1.00 34.44 N ATOM 216 CA GLU A 17 -0.396 -8.840 5.007 1.00 43.20 C ATOM 217 C GLU A 17 -0.198 -10.303 4.619 1.00 4.31 C ATOM 218 O GLU A 17 0.643 -10.999 5.188 1.00 1.25 O ATOM 219 CB GLU A 17 -1.042 -8.751 6.391 1.00 11.23 C ATOM 220 CG GLU A 17 -0.810 -7.420 7.086 1.00 72.31 C ATOM 221 CD GLU A 17 -1.009 -7.503 8.587 1.00 55.22 C ATOM 222 OE1 GLU A 17 -1.274 -8.615 9.090 1.00 52.13 O ATOM 223 OE2 GLU A 17 -0.898 -6.456 9.259 1.00 11.22 O ATOM 0 H GLU A 17 -2.180 -7.980 4.313 1.00 34.44 H new ATOM 0 HA GLU A 17 0.580 -8.355 5.037 1.00 43.20 H new ATOM 0 HB2 GLU A 17 -2.115 -8.918 6.294 1.00 11.23 H new ATOM 0 HB3 GLU A 17 -0.650 -9.552 7.018 1.00 11.23 H new ATOM 0 HG2 GLU A 17 0.203 -7.076 6.876 1.00 72.31 H new ATOM 0 HG3 GLU A 17 -1.491 -6.675 6.674 1.00 72.31 H new ATOM 230 N LYS A 18 -0.980 -10.763 3.648 1.00 52.31 N ATOM 231 CA LYS A 18 -0.892 -12.142 3.182 1.00 55.02 C ATOM 232 C LYS A 18 0.112 -12.267 2.041 1.00 21.12 C ATOM 233 O LYS A 18 0.488 -13.374 1.650 1.00 42.55 O ATOM 234 CB LYS A 18 -2.265 -12.636 2.725 1.00 11.44 C ATOM 235 CG LYS A 18 -2.503 -14.111 2.998 1.00 62.34 C ATOM 236 CD LYS A 18 -3.748 -14.617 2.287 1.00 15.53 C ATOM 237 CE LYS A 18 -4.998 -14.392 3.123 1.00 71.35 C ATOM 238 NZ LYS A 18 -6.044 -13.649 2.370 1.00 11.33 N ATOM 0 H LYS A 18 -1.682 -10.200 3.168 1.00 52.31 H new ATOM 0 HA LYS A 18 -0.550 -12.759 4.013 1.00 55.02 H new ATOM 0 HB2 LYS A 18 -3.037 -12.053 3.227 1.00 11.44 H new ATOM 0 HB3 LYS A 18 -2.371 -12.451 1.656 1.00 11.44 H new ATOM 0 HG2 LYS A 18 -1.637 -14.687 2.671 1.00 62.34 H new ATOM 0 HG3 LYS A 18 -2.606 -14.271 4.071 1.00 62.34 H new ATOM 0 HD2 LYS A 18 -3.853 -14.108 1.329 1.00 15.53 H new ATOM 0 HD3 LYS A 18 -3.639 -15.680 2.073 1.00 15.53 H new ATOM 0 HE2 LYS A 18 -5.397 -15.354 3.445 1.00 71.35 H new ATOM 0 HE3 LYS A 18 -4.737 -13.837 4.024 1.00 71.35 H new ATOM 0 HZ1 LYS A 18 -6.879 -13.516 2.975 1.00 11.33 H new ATOM 0 HZ2 LYS A 18 -5.673 -12.721 2.084 1.00 11.33 H new ATOM 0 HZ3 LYS A 18 -6.312 -14.190 1.523 1.00 11.33 H new ATOM 252 N ILE A 19 0.544 -11.127 1.510 1.00 21.40 N ATOM 253 CA ILE A 19 1.506 -11.112 0.415 1.00 0.41 C ATOM 254 C ILE A 19 2.936 -11.155 0.940 1.00 34.10 C ATOM 255 O ILE A 19 3.274 -10.474 1.909 1.00 73.32 O ATOM 256 CB ILE A 19 1.332 -9.861 -0.468 1.00 21.41 C ATOM 257 CG1 ILE A 19 -0.073 -9.828 -1.071 1.00 1.14 C ATOM 258 CG2 ILE A 19 2.386 -9.838 -1.565 1.00 70.11 C ATOM 259 CD1 ILE A 19 -0.640 -8.432 -1.204 1.00 22.12 C ATOM 0 H ILE A 19 0.243 -10.203 1.820 1.00 21.40 H new ATOM 0 HA ILE A 19 1.316 -12.001 -0.186 1.00 0.41 H new ATOM 0 HB ILE A 19 1.461 -8.974 0.153 1.00 21.41 H new ATOM 0 HG12 ILE A 19 -0.049 -10.297 -2.055 1.00 1.14 H new ATOM 0 HG13 ILE A 19 -0.741 -10.425 -0.450 1.00 1.14 H new ATOM 0 HG21 ILE A 19 2.251 -8.949 -2.181 1.00 70.11 H new ATOM 0 HG22 ILE A 19 3.379 -9.821 -1.115 1.00 70.11 H new ATOM 0 HG23 ILE A 19 2.285 -10.728 -2.186 1.00 70.11 H new ATOM 0 HD11 ILE A 19 -1.638 -8.485 -1.639 1.00 22.12 H new ATOM 0 HD12 ILE A 19 -0.697 -7.967 -0.220 1.00 22.12 H new ATOM 0 HD13 ILE A 19 0.006 -7.837 -1.850 1.00 22.12 H new ATOM 271 N ARG A 20 3.774 -11.959 0.293 1.00 43.54 N ATOM 272 CA ARG A 20 5.169 -12.091 0.695 1.00 32.24 C ATOM 273 C ARG A 20 6.019 -10.982 0.080 1.00 51.21 C ATOM 274 O ARG A 20 5.533 -10.188 -0.727 1.00 13.04 O ATOM 275 CB ARG A 20 5.715 -13.457 0.276 1.00 73.11 C ATOM 276 CG ARG A 20 4.947 -14.627 0.867 1.00 50.03 C ATOM 277 CD ARG A 20 5.365 -15.946 0.235 1.00 12.21 C ATOM 278 NE ARG A 20 4.222 -16.817 -0.022 1.00 54.45 N ATOM 279 CZ ARG A 20 4.332 -18.113 -0.290 1.00 24.21 C ATOM 280 NH1 ARG A 20 5.527 -18.685 -0.337 1.00 64.13 N ATOM 281 NH2 ARG A 20 3.244 -18.840 -0.513 1.00 3.42 N ATOM 0 H ARG A 20 3.511 -12.528 -0.511 1.00 43.54 H new ATOM 0 HA ARG A 20 5.218 -12.004 1.780 1.00 32.24 H new ATOM 0 HB2 ARG A 20 5.692 -13.530 -0.811 1.00 73.11 H new ATOM 0 HB3 ARG A 20 6.760 -13.529 0.578 1.00 73.11 H new ATOM 0 HG2 ARG A 20 5.117 -14.668 1.943 1.00 50.03 H new ATOM 0 HG3 ARG A 20 3.878 -14.474 0.718 1.00 50.03 H new ATOM 0 HD2 ARG A 20 5.888 -15.750 -0.701 1.00 12.21 H new ATOM 0 HD3 ARG A 20 6.069 -16.456 0.893 1.00 12.21 H new ATOM 0 HE ARG A 20 3.288 -16.408 0.006 1.00 54.45 H new ATOM 0 HH11 ARG A 20 6.365 -18.129 -0.167 1.00 64.13 H new ATOM 0 HH12 ARG A 20 5.608 -19.681 -0.543 1.00 64.13 H new ATOM 0 HH21 ARG A 20 2.323 -18.403 -0.479 1.00 3.42 H new ATOM 0 HH22 ARG A 20 3.329 -19.835 -0.719 1.00 3.42 H new ATOM 295 N LEU A 21 7.288 -10.932 0.467 1.00 74.52 N ATOM 296 CA LEU A 21 8.206 -9.921 -0.045 1.00 73.25 C ATOM 297 C LEU A 21 9.155 -10.520 -1.077 1.00 15.03 C ATOM 298 O LEU A 21 9.477 -9.884 -2.082 1.00 33.31 O ATOM 299 CB LEU A 21 9.007 -9.303 1.103 1.00 71.41 C ATOM 300 CG LEU A 21 8.218 -8.971 2.369 1.00 70.35 C ATOM 301 CD1 LEU A 21 9.116 -8.304 3.399 1.00 51.31 C ATOM 302 CD2 LEU A 21 7.029 -8.080 2.039 1.00 72.40 C ATOM 0 H LEU A 21 7.705 -11.580 1.135 1.00 74.52 H new ATOM 0 HA LEU A 21 7.617 -9.142 -0.529 1.00 73.25 H new ATOM 0 HB2 LEU A 21 9.811 -9.989 1.369 1.00 71.41 H new ATOM 0 HB3 LEU A 21 9.476 -8.388 0.741 1.00 71.41 H new ATOM 0 HG LEU A 21 7.842 -9.902 2.793 1.00 70.35 H new ATOM 0 HD11 LEU A 21 8.536 -8.075 4.293 1.00 51.31 H new ATOM 0 HD12 LEU A 21 9.934 -8.976 3.659 1.00 51.31 H new ATOM 0 HD13 LEU A 21 9.523 -7.382 2.984 1.00 51.31 H new ATOM 0 HD21 LEU A 21 6.479 -7.854 2.953 1.00 72.40 H new ATOM 0 HD22 LEU A 21 7.383 -7.152 1.590 1.00 72.40 H new ATOM 0 HD23 LEU A 21 6.372 -8.595 1.338 1.00 72.40 H new ATOM 314 N ARG A 22 9.599 -11.746 -0.825 1.00 33.50 N ATOM 315 CA ARG A 22 10.511 -12.432 -1.733 1.00 31.13 C ATOM 316 C ARG A 22 9.809 -13.589 -2.438 1.00 62.11 C ATOM 317 O ARG A 22 8.704 -13.990 -2.074 1.00 25.40 O ATOM 318 CB ARG A 22 11.732 -12.950 -0.971 1.00 4.11 C ATOM 319 CG ARG A 22 12.977 -12.102 -1.167 1.00 13.13 C ATOM 320 CD ARG A 22 14.238 -12.951 -1.144 1.00 55.50 C ATOM 321 NE ARG A 22 15.238 -12.475 -2.097 1.00 5.33 N ATOM 322 CZ ARG A 22 16.047 -11.449 -1.863 1.00 52.42 C ATOM 323 NH1 ARG A 22 15.977 -10.794 -0.711 1.00 70.44 N ATOM 324 NH2 ARG A 22 16.930 -11.074 -2.779 1.00 21.45 N ATOM 0 H ARG A 22 9.342 -12.286 0.001 1.00 33.50 H new ATOM 0 HA ARG A 22 10.839 -11.716 -2.486 1.00 31.13 H new ATOM 0 HB2 ARG A 22 11.495 -12.992 0.092 1.00 4.11 H new ATOM 0 HB3 ARG A 22 11.944 -13.970 -1.291 1.00 4.11 H new ATOM 0 HG2 ARG A 22 12.911 -11.572 -2.117 1.00 13.13 H new ATOM 0 HG3 ARG A 22 13.031 -11.347 -0.383 1.00 13.13 H new ATOM 0 HD2 ARG A 22 14.662 -12.943 -0.140 1.00 55.50 H new ATOM 0 HD3 ARG A 22 13.982 -13.985 -1.374 1.00 55.50 H new ATOM 0 HE ARG A 22 15.319 -12.958 -2.992 1.00 5.33 H new ATOM 0 HH11 ARG A 22 15.300 -11.079 -0.003 1.00 70.44 H new ATOM 0 HH12 ARG A 22 16.600 -10.006 -0.534 1.00 70.44 H new ATOM 0 HH21 ARG A 22 16.989 -11.574 -3.666 1.00 21.45 H new ATOM 0 HH22 ARG A 22 17.550 -10.285 -2.597 1.00 21.45 H new ATOM 338 N PRO A 23 10.465 -14.139 -3.471 1.00 1.11 N ATOM 339 CA PRO A 23 9.923 -15.258 -4.247 1.00 21.13 C ATOM 340 C PRO A 23 9.891 -16.556 -3.449 1.00 72.31 C ATOM 341 O PRO A 23 8.860 -17.222 -3.368 1.00 23.54 O ATOM 342 CB PRO A 23 10.894 -15.377 -5.424 1.00 55.30 C ATOM 343 CG PRO A 23 12.173 -14.803 -4.919 1.00 41.41 C ATOM 344 CD PRO A 23 11.786 -13.712 -3.959 1.00 15.42 C ATOM 0 HA PRO A 23 8.889 -15.084 -4.546 1.00 21.13 H new ATOM 0 HB2 PRO A 23 11.020 -16.416 -5.730 1.00 55.30 H new ATOM 0 HB3 PRO A 23 10.531 -14.830 -6.294 1.00 55.30 H new ATOM 0 HG2 PRO A 23 12.774 -15.565 -4.422 1.00 41.41 H new ATOM 0 HG3 PRO A 23 12.774 -14.407 -5.738 1.00 41.41 H new ATOM 0 HD2 PRO A 23 12.505 -13.620 -3.145 1.00 15.42 H new ATOM 0 HD3 PRO A 23 11.737 -12.741 -4.452 1.00 15.42 H new ATOM 352 N GLY A 24 11.030 -16.911 -2.859 1.00 5.43 N ATOM 353 CA GLY A 24 11.110 -18.130 -2.075 1.00 53.51 C ATOM 354 C GLY A 24 11.328 -17.855 -0.600 1.00 24.00 C ATOM 355 O GLY A 24 11.960 -18.647 0.099 1.00 2.42 O ATOM 0 H GLY A 24 11.897 -16.376 -2.910 1.00 5.43 H new ATOM 0 HA2 GLY A 24 10.191 -18.702 -2.203 1.00 53.51 H new ATOM 0 HA3 GLY A 24 11.925 -18.748 -2.451 1.00 53.51 H new ATOM 359 N GLY A 25 10.805 -16.729 -0.124 1.00 5.44 N ATOM 360 CA GLY A 25 10.957 -16.372 1.274 1.00 32.42 C ATOM 361 C GLY A 25 9.718 -16.679 2.090 1.00 33.32 C ATOM 362 O GLY A 25 8.782 -17.311 1.598 1.00 3.25 O ATOM 0 H GLY A 25 10.278 -16.057 -0.682 1.00 5.44 H new ATOM 0 HA2 GLY A 25 11.807 -16.911 1.693 1.00 32.42 H new ATOM 0 HA3 GLY A 25 11.185 -15.309 1.351 1.00 32.42 H new ATOM 366 N LYS A 26 9.710 -16.235 3.342 1.00 31.25 N ATOM 367 CA LYS A 26 8.577 -16.466 4.229 1.00 23.50 C ATOM 368 C LYS A 26 8.078 -15.155 4.828 1.00 75.22 C ATOM 369 O LYS A 26 7.086 -15.131 5.556 1.00 43.23 O ATOM 370 CB LYS A 26 8.968 -17.434 5.349 1.00 33.33 C ATOM 371 CG LYS A 26 9.274 -18.839 4.858 1.00 63.14 C ATOM 372 CD LYS A 26 10.739 -19.191 5.053 1.00 60.21 C ATOM 373 CE LYS A 26 11.004 -19.715 6.456 1.00 72.14 C ATOM 374 NZ LYS A 26 10.443 -21.081 6.654 1.00 12.13 N ATOM 0 H LYS A 26 10.477 -15.712 3.766 1.00 31.25 H new ATOM 0 HA LYS A 26 7.772 -16.906 3.641 1.00 23.50 H new ATOM 0 HB2 LYS A 26 9.842 -17.041 5.869 1.00 33.33 H new ATOM 0 HB3 LYS A 26 8.158 -17.481 6.077 1.00 33.33 H new ATOM 0 HG2 LYS A 26 8.652 -19.556 5.394 1.00 63.14 H new ATOM 0 HG3 LYS A 26 9.017 -18.920 3.802 1.00 63.14 H new ATOM 0 HD2 LYS A 26 11.034 -19.943 4.321 1.00 60.21 H new ATOM 0 HD3 LYS A 26 11.354 -18.309 4.871 1.00 60.21 H new ATOM 0 HE2 LYS A 26 12.078 -19.734 6.640 1.00 72.14 H new ATOM 0 HE3 LYS A 26 10.567 -19.034 7.186 1.00 72.14 H new ATOM 0 HZ1 LYS A 26 10.877 -21.516 7.493 1.00 12.13 H new ATOM 0 HZ2 LYS A 26 9.414 -21.017 6.791 1.00 12.13 H new ATOM 0 HZ3 LYS A 26 10.646 -21.664 5.817 1.00 12.13 H new ATOM 388 N LYS A 27 8.773 -14.066 4.516 1.00 40.15 N ATOM 389 CA LYS A 27 8.400 -12.750 5.021 1.00 52.34 C ATOM 390 C LYS A 27 7.179 -12.209 4.283 1.00 71.43 C ATOM 391 O LYS A 27 7.007 -12.454 3.090 1.00 30.53 O ATOM 392 CB LYS A 27 9.570 -11.775 4.876 1.00 11.13 C ATOM 393 CG LYS A 27 10.096 -11.664 3.455 1.00 31.52 C ATOM 394 CD LYS A 27 11.302 -10.742 3.376 1.00 43.22 C ATOM 395 CE LYS A 27 12.559 -11.423 3.895 1.00 0.12 C ATOM 396 NZ LYS A 27 13.679 -10.458 4.070 1.00 53.34 N ATOM 0 H LYS A 27 9.598 -14.069 3.916 1.00 40.15 H new ATOM 0 HA LYS A 27 8.148 -12.852 6.077 1.00 52.34 H new ATOM 0 HB2 LYS A 27 9.254 -10.789 5.216 1.00 11.13 H new ATOM 0 HB3 LYS A 27 10.381 -12.094 5.531 1.00 11.13 H new ATOM 0 HG2 LYS A 27 10.369 -12.654 3.089 1.00 31.52 H new ATOM 0 HG3 LYS A 27 9.307 -11.289 2.803 1.00 31.52 H new ATOM 0 HD2 LYS A 27 11.456 -10.430 2.343 1.00 43.22 H new ATOM 0 HD3 LYS A 27 11.110 -9.839 3.956 1.00 43.22 H new ATOM 0 HE2 LYS A 27 12.343 -11.906 4.848 1.00 0.12 H new ATOM 0 HE3 LYS A 27 12.860 -12.207 3.201 1.00 0.12 H new ATOM 0 HZ1 LYS A 27 14.518 -10.960 4.425 1.00 53.34 H new ATOM 0 HZ2 LYS A 27 13.902 -10.015 3.156 1.00 53.34 H new ATOM 0 HZ3 LYS A 27 13.401 -9.723 4.752 1.00 53.34 H new ATOM 410 N GLN A 28 6.337 -11.474 5.001 1.00 45.11 N ATOM 411 CA GLN A 28 5.133 -10.899 4.412 1.00 50.40 C ATOM 412 C GLN A 28 5.195 -9.376 4.426 1.00 43.53 C ATOM 413 O GLN A 28 6.186 -8.788 4.860 1.00 62.14 O ATOM 414 CB GLN A 28 3.892 -11.379 5.168 1.00 14.25 C ATOM 415 CG GLN A 28 4.061 -11.380 6.678 1.00 14.44 C ATOM 416 CD GLN A 28 4.347 -9.999 7.234 1.00 72.14 C ATOM 417 OE1 GLN A 28 3.476 -9.129 7.245 1.00 74.45 O ATOM 418 NE2 GLN A 28 5.574 -9.790 7.701 1.00 64.52 N ATOM 0 H GLN A 28 6.466 -11.262 5.990 1.00 45.11 H new ATOM 0 HA GLN A 28 5.070 -11.232 3.376 1.00 50.40 H new ATOM 0 HB2 GLN A 28 3.048 -10.741 4.906 1.00 14.25 H new ATOM 0 HB3 GLN A 28 3.644 -12.388 4.838 1.00 14.25 H new ATOM 0 HG2 GLN A 28 3.156 -11.774 7.141 1.00 14.44 H new ATOM 0 HG3 GLN A 28 4.875 -12.052 6.948 1.00 14.44 H new ATOM 0 HE21 GLN A 28 6.265 -10.540 7.672 1.00 64.52 H new ATOM 0 HE22 GLN A 28 5.824 -8.880 8.088 1.00 64.52 H new ATOM 427 N TYR A 29 4.130 -8.741 3.949 1.00 64.52 N ATOM 428 CA TYR A 29 4.063 -7.285 3.905 1.00 10.11 C ATOM 429 C TYR A 29 3.343 -6.734 5.132 1.00 33.20 C ATOM 430 O TYR A 29 2.425 -7.360 5.661 1.00 61.21 O ATOM 431 CB TYR A 29 3.350 -6.825 2.632 1.00 11.21 C ATOM 432 CG TYR A 29 4.287 -6.560 1.475 1.00 44.22 C ATOM 433 CD1 TYR A 29 5.106 -5.438 1.463 1.00 1.23 C ATOM 434 CD2 TYR A 29 4.352 -7.431 0.395 1.00 2.25 C ATOM 435 CE1 TYR A 29 5.962 -5.190 0.406 1.00 62.55 C ATOM 436 CE2 TYR A 29 5.207 -7.192 -0.664 1.00 21.32 C ATOM 437 CZ TYR A 29 6.009 -6.071 -0.653 1.00 13.24 C ATOM 438 OH TYR A 29 6.861 -5.830 -1.707 1.00 11.11 O ATOM 0 H TYR A 29 3.301 -9.212 3.587 1.00 64.52 H new ATOM 0 HA TYR A 29 5.083 -6.900 3.902 1.00 10.11 H new ATOM 0 HB2 TYR A 29 2.627 -7.585 2.336 1.00 11.21 H new ATOM 0 HB3 TYR A 29 2.788 -5.917 2.849 1.00 11.21 H new ATOM 0 HD1 TYR A 29 5.074 -4.748 2.293 1.00 1.23 H new ATOM 0 HD2 TYR A 29 3.724 -8.310 0.383 1.00 2.25 H new ATOM 0 HE1 TYR A 29 6.590 -4.311 0.410 1.00 62.55 H new ATOM 0 HE2 TYR A 29 5.247 -7.880 -1.496 1.00 21.32 H new ATOM 0 HH TYR A 29 7.788 -5.957 -1.414 1.00 11.11 H new ATOM 448 N LYS A 30 3.768 -5.557 5.580 1.00 1.20 N ATOM 449 CA LYS A 30 3.165 -4.918 6.743 1.00 74.22 C ATOM 450 C LYS A 30 3.031 -3.414 6.529 1.00 64.23 C ATOM 451 O LYS A 30 3.663 -2.844 5.639 1.00 30.31 O ATOM 452 CB LYS A 30 4.003 -5.193 7.993 1.00 62.20 C ATOM 453 CG LYS A 30 3.268 -5.994 9.055 1.00 30.52 C ATOM 454 CD LYS A 30 3.337 -5.316 10.412 1.00 62.05 C ATOM 455 CE LYS A 30 2.204 -5.769 11.320 1.00 51.01 C ATOM 456 NZ LYS A 30 2.452 -5.405 12.743 1.00 12.25 N ATOM 0 H LYS A 30 4.528 -5.026 5.155 1.00 1.20 H new ATOM 0 HA LYS A 30 2.169 -5.338 6.881 1.00 74.22 H new ATOM 0 HB2 LYS A 30 4.906 -5.731 7.704 1.00 62.20 H new ATOM 0 HB3 LYS A 30 4.322 -4.243 8.422 1.00 62.20 H new ATOM 0 HG2 LYS A 30 2.226 -6.118 8.762 1.00 30.52 H new ATOM 0 HG3 LYS A 30 3.701 -6.992 9.124 1.00 30.52 H new ATOM 0 HD2 LYS A 30 4.294 -5.540 10.883 1.00 62.05 H new ATOM 0 HD3 LYS A 30 3.291 -4.235 10.282 1.00 62.05 H new ATOM 0 HE2 LYS A 30 1.270 -5.317 10.987 1.00 51.01 H new ATOM 0 HE3 LYS A 30 2.083 -6.849 11.238 1.00 51.01 H new ATOM 0 HZ1 LYS A 30 1.657 -5.731 13.328 1.00 12.25 H new ATOM 0 HZ2 LYS A 30 3.330 -5.857 13.069 1.00 12.25 H new ATOM 0 HZ3 LYS A 30 2.542 -4.372 12.826 1.00 12.25 H new ATOM 470 N LEU A 31 2.206 -2.775 7.351 1.00 21.32 N ATOM 471 CA LEU A 31 1.990 -1.335 7.253 1.00 31.42 C ATOM 472 C LEU A 31 3.315 -0.595 7.101 1.00 61.52 C ATOM 473 O LEU A 31 3.467 0.254 6.223 1.00 74.54 O ATOM 474 CB LEU A 31 1.246 -0.826 8.489 1.00 73.52 C ATOM 475 CG LEU A 31 -0.162 -1.381 8.701 1.00 24.52 C ATOM 476 CD1 LEU A 31 -0.815 -0.732 9.912 1.00 72.23 C ATOM 477 CD2 LEU A 31 -1.013 -1.169 7.456 1.00 52.43 C ATOM 0 H LEU A 31 1.675 -3.231 8.093 1.00 21.32 H new ATOM 0 HA LEU A 31 1.384 -1.142 6.368 1.00 31.42 H new ATOM 0 HB2 LEU A 31 1.844 -1.060 9.370 1.00 73.52 H new ATOM 0 HB3 LEU A 31 1.181 0.260 8.427 1.00 73.52 H new ATOM 0 HG LEU A 31 -0.085 -2.452 8.886 1.00 24.52 H new ATOM 0 HD11 LEU A 31 -1.817 -1.140 10.047 1.00 72.23 H new ATOM 0 HD12 LEU A 31 -0.217 -0.936 10.800 1.00 72.23 H new ATOM 0 HD13 LEU A 31 -0.879 0.345 9.757 1.00 72.23 H new ATOM 0 HD21 LEU A 31 -2.012 -1.570 7.626 1.00 52.43 H new ATOM 0 HD22 LEU A 31 -1.082 -0.103 7.240 1.00 52.43 H new ATOM 0 HD23 LEU A 31 -0.555 -1.682 6.610 1.00 52.43 H new ATOM 489 N LYS A 32 4.273 -0.925 7.962 1.00 25.04 N ATOM 490 CA LYS A 32 5.587 -0.295 7.923 1.00 24.21 C ATOM 491 C LYS A 32 6.027 -0.044 6.484 1.00 75.12 C ATOM 492 O LYS A 32 6.523 1.034 6.155 1.00 33.02 O ATOM 493 CB LYS A 32 6.617 -1.172 8.637 1.00 44.01 C ATOM 494 CG LYS A 32 7.992 -0.535 8.741 1.00 21.03 C ATOM 495 CD LYS A 32 9.042 -1.541 9.183 1.00 25.24 C ATOM 496 CE LYS A 32 10.434 -1.128 8.732 1.00 40.02 C ATOM 497 NZ LYS A 32 10.821 0.204 9.275 1.00 5.12 N ATOM 0 H LYS A 32 4.163 -1.625 8.695 1.00 25.04 H new ATOM 0 HA LYS A 32 5.518 0.664 8.436 1.00 24.21 H new ATOM 0 HB2 LYS A 32 6.255 -1.400 9.639 1.00 44.01 H new ATOM 0 HB3 LYS A 32 6.704 -2.120 8.106 1.00 44.01 H new ATOM 0 HG2 LYS A 32 8.273 -0.115 7.775 1.00 21.03 H new ATOM 0 HG3 LYS A 32 7.958 0.292 9.450 1.00 21.03 H new ATOM 0 HD2 LYS A 32 9.023 -1.635 10.269 1.00 25.24 H new ATOM 0 HD3 LYS A 32 8.802 -2.522 8.774 1.00 25.24 H new ATOM 0 HE2 LYS A 32 11.157 -1.876 9.056 1.00 40.02 H new ATOM 0 HE3 LYS A 32 10.470 -1.100 7.643 1.00 40.02 H new ATOM 0 HZ1 LYS A 32 11.817 0.397 9.044 1.00 5.12 H new ATOM 0 HZ2 LYS A 32 10.219 0.939 8.853 1.00 5.12 H new ATOM 0 HZ3 LYS A 32 10.698 0.207 10.308 1.00 5.12 H new ATOM 511 N HIS A 33 5.842 -1.047 5.630 1.00 41.31 N ATOM 512 CA HIS A 33 6.219 -0.934 4.225 1.00 22.51 C ATOM 513 C HIS A 33 5.325 0.071 3.503 1.00 70.30 C ATOM 514 O HIS A 33 5.876 0.891 2.768 1.00 50.32 O ATOM 515 CB HIS A 33 6.130 -2.298 3.540 1.00 61.51 C ATOM 516 CG HIS A 33 6.803 -3.397 4.303 1.00 55.23 C ATOM 517 ND1 HIS A 33 6.250 -4.649 4.467 1.00 44.24 N ATOM 518 CD2 HIS A 33 7.993 -3.426 4.948 1.00 12.51 C ATOM 519 CE1 HIS A 33 7.070 -5.400 5.181 1.00 34.22 C ATOM 520 NE2 HIS A 33 8.136 -4.681 5.484 1.00 73.41 N ATOM 0 H HIS A 33 5.434 -1.946 5.886 1.00 41.31 H new ATOM 0 HA HIS A 33 7.248 -0.579 4.177 1.00 22.51 H new ATOM 0 HB2 HIS A 33 5.081 -2.556 3.397 1.00 61.51 H new ATOM 0 HB3 HIS A 33 6.578 -2.228 2.549 1.00 61.51 H new ATOM 0 HD2 HIS A 33 8.699 -2.612 5.026 1.00 12.51 H new ATOM 0 HE1 HIS A 33 6.898 -6.427 5.468 1.00 34.22 H new ATOM 0 HE2 HIS A 33 8.935 -5.006 6.028 1.00 73.41 H new ATOM 528 N ILE A 34 4.010 0.029 3.684 1.00 61.13 N ATOM 529 CA ILE A 34 3.117 0.969 3.017 1.00 34.22 C ATOM 530 C ILE A 34 3.498 2.410 3.335 1.00 43.32 C ATOM 531 O ILE A 34 3.783 3.202 2.437 1.00 53.14 O ATOM 532 CB ILE A 34 1.650 0.735 3.421 1.00 11.34 C ATOM 533 CG1 ILE A 34 1.199 -0.666 3.001 1.00 1.22 C ATOM 534 CG2 ILE A 34 0.754 1.795 2.797 1.00 71.35 C ATOM 535 CD1 ILE A 34 -0.149 -1.060 3.564 1.00 21.34 C ATOM 0 H ILE A 34 3.539 -0.646 4.287 1.00 61.13 H new ATOM 0 HA ILE A 34 3.221 0.797 1.946 1.00 34.22 H new ATOM 0 HB ILE A 34 1.570 0.812 4.505 1.00 11.34 H new ATOM 0 HG12 ILE A 34 1.158 -0.715 1.913 1.00 1.22 H new ATOM 0 HG13 ILE A 34 1.945 -1.392 3.325 1.00 1.22 H new ATOM 0 HG21 ILE A 34 -0.280 1.617 3.092 1.00 71.35 H new ATOM 0 HG22 ILE A 34 1.064 2.782 3.141 1.00 71.35 H new ATOM 0 HG23 ILE A 34 0.835 1.747 1.711 1.00 71.35 H new ATOM 0 HD11 ILE A 34 -0.405 -2.064 3.226 1.00 21.34 H new ATOM 0 HD12 ILE A 34 -0.107 -1.044 4.653 1.00 21.34 H new ATOM 0 HD13 ILE A 34 -0.907 -0.357 3.219 1.00 21.34 H new ATOM 547 N VAL A 35 3.502 2.744 4.622 1.00 12.51 N ATOM 548 CA VAL A 35 3.851 4.090 5.061 1.00 12.51 C ATOM 549 C VAL A 35 5.186 4.531 4.473 1.00 55.44 C ATOM 550 O VAL A 35 5.302 5.627 3.922 1.00 63.33 O ATOM 551 CB VAL A 35 3.925 4.178 6.597 1.00 50.55 C ATOM 552 CG1 VAL A 35 4.339 5.575 7.033 1.00 1.15 C ATOM 553 CG2 VAL A 35 2.592 3.791 7.217 1.00 64.42 C ATOM 0 H VAL A 35 3.268 2.101 5.378 1.00 12.51 H new ATOM 0 HA VAL A 35 3.063 4.753 4.704 1.00 12.51 H new ATOM 0 HB VAL A 35 4.681 3.475 6.948 1.00 50.55 H new ATOM 0 HG11 VAL A 35 4.386 5.618 8.121 1.00 1.15 H new ATOM 0 HG12 VAL A 35 5.319 5.810 6.618 1.00 1.15 H new ATOM 0 HG13 VAL A 35 3.609 6.300 6.673 1.00 1.15 H new ATOM 0 HG21 VAL A 35 2.662 3.859 8.303 1.00 64.42 H new ATOM 0 HG22 VAL A 35 1.815 4.467 6.861 1.00 64.42 H new ATOM 0 HG23 VAL A 35 2.342 2.769 6.933 1.00 64.42 H new ATOM 563 N TRP A 36 6.192 3.672 4.593 1.00 12.52 N ATOM 564 CA TRP A 36 7.521 3.974 4.072 1.00 62.42 C ATOM 565 C TRP A 36 7.460 4.307 2.585 1.00 43.25 C ATOM 566 O TRP A 36 8.347 4.973 2.053 1.00 75.31 O ATOM 567 CB TRP A 36 8.462 2.790 4.305 1.00 1.30 C ATOM 568 CG TRP A 36 9.778 2.931 3.601 1.00 0.53 C ATOM 569 CD1 TRP A 36 10.956 3.358 4.144 1.00 64.22 C ATOM 570 CD2 TRP A 36 10.048 2.648 2.224 1.00 62.15 C ATOM 571 NE1 TRP A 36 11.942 3.357 3.187 1.00 73.54 N ATOM 572 CE2 TRP A 36 11.411 2.923 2.001 1.00 55.44 C ATOM 573 CE3 TRP A 36 9.272 2.184 1.158 1.00 11.54 C ATOM 574 CZ2 TRP A 36 12.012 2.753 0.757 1.00 33.30 C ATOM 575 CZ3 TRP A 36 9.869 2.016 -0.076 1.00 11.12 C ATOM 576 CH2 TRP A 36 11.228 2.299 -0.269 1.00 72.44 C ATOM 0 H TRP A 36 6.113 2.762 5.046 1.00 12.52 H new ATOM 0 HA TRP A 36 7.905 4.845 4.604 1.00 62.42 H new ATOM 0 HB2 TRP A 36 8.640 2.681 5.375 1.00 1.30 H new ATOM 0 HB3 TRP A 36 7.974 1.875 3.969 1.00 1.30 H new ATOM 0 HD1 TRP A 36 11.093 3.653 5.174 1.00 64.22 H new ATOM 0 HE1 TRP A 36 12.912 3.634 3.336 1.00 73.54 H new ATOM 0 HE3 TRP A 36 8.224 1.961 1.297 1.00 11.54 H new ATOM 0 HZ2 TRP A 36 13.059 2.971 0.607 1.00 33.30 H new ATOM 0 HZ3 TRP A 36 9.278 1.660 -0.907 1.00 11.12 H new ATOM 0 HH2 TRP A 36 11.665 2.156 -1.246 1.00 72.44 H new ATOM 587 N ALA A 37 6.408 3.840 1.922 1.00 23.14 N ATOM 588 CA ALA A 37 6.231 4.091 0.497 1.00 32.44 C ATOM 589 C ALA A 37 5.417 5.359 0.259 1.00 75.22 C ATOM 590 O ALA A 37 5.831 6.242 -0.492 1.00 41.34 O ATOM 591 CB ALA A 37 5.562 2.899 -0.170 1.00 62.11 C ATOM 0 H ALA A 37 5.665 3.286 2.348 1.00 23.14 H new ATOM 0 HA ALA A 37 7.216 4.235 0.054 1.00 32.44 H new ATOM 0 HB1 ALA A 37 5.436 3.101 -1.234 1.00 62.11 H new ATOM 0 HB2 ALA A 37 6.183 2.013 -0.040 1.00 62.11 H new ATOM 0 HB3 ALA A 37 4.586 2.728 0.285 1.00 62.11 H new ATOM 597 N SER A 38 4.257 5.440 0.903 1.00 13.12 N ATOM 598 CA SER A 38 3.383 6.598 0.759 1.00 22.05 C ATOM 599 C SER A 38 4.086 7.872 1.218 1.00 71.32 C ATOM 600 O SER A 38 3.889 8.944 0.646 1.00 73.42 O ATOM 601 CB SER A 38 2.096 6.395 1.560 1.00 10.22 C ATOM 602 OG SER A 38 1.212 5.512 0.891 1.00 12.33 O ATOM 0 H SER A 38 3.901 4.718 1.529 1.00 13.12 H new ATOM 0 HA SER A 38 3.133 6.703 -0.297 1.00 22.05 H new ATOM 0 HB2 SER A 38 2.337 5.996 2.545 1.00 10.22 H new ATOM 0 HB3 SER A 38 1.606 7.356 1.716 1.00 10.22 H new ATOM 0 HG SER A 38 1.162 4.665 1.381 1.00 12.33 H new ATOM 608 N ARG A 39 4.908 7.745 2.256 1.00 23.41 N ATOM 609 CA ARG A 39 5.640 8.884 2.794 1.00 71.23 C ATOM 610 C ARG A 39 6.706 9.359 1.812 1.00 20.31 C ATOM 611 O ARG A 39 7.102 10.524 1.826 1.00 31.44 O ATOM 612 CB ARG A 39 6.290 8.515 4.129 1.00 41.51 C ATOM 613 CG ARG A 39 7.168 9.615 4.704 1.00 64.14 C ATOM 614 CD ARG A 39 6.349 10.839 5.084 1.00 71.22 C ATOM 615 NE ARG A 39 6.721 11.360 6.398 1.00 25.23 N ATOM 616 CZ ARG A 39 6.399 12.576 6.824 1.00 65.12 C ATOM 617 NH1 ARG A 39 5.700 13.391 6.046 1.00 13.53 N ATOM 618 NH2 ARG A 39 6.774 12.977 8.032 1.00 44.21 N ATOM 0 H ARG A 39 5.083 6.864 2.740 1.00 23.41 H new ATOM 0 HA ARG A 39 4.931 9.696 2.954 1.00 71.23 H new ATOM 0 HB2 ARG A 39 5.509 8.272 4.849 1.00 41.51 H new ATOM 0 HB3 ARG A 39 6.891 7.615 3.995 1.00 41.51 H new ATOM 0 HG2 ARG A 39 7.694 9.241 5.582 1.00 64.14 H new ATOM 0 HG3 ARG A 39 7.927 9.896 3.974 1.00 64.14 H new ATOM 0 HD2 ARG A 39 6.489 11.616 4.333 1.00 71.22 H new ATOM 0 HD3 ARG A 39 5.290 10.581 5.083 1.00 71.22 H new ATOM 0 HE ARG A 39 7.257 10.757 7.022 1.00 25.23 H new ATOM 0 HH11 ARG A 39 5.408 13.085 5.118 1.00 13.53 H new ATOM 0 HH12 ARG A 39 5.454 14.324 6.376 1.00 13.53 H new ATOM 0 HH21 ARG A 39 7.310 12.351 8.634 1.00 44.21 H new ATOM 0 HH22 ARG A 39 6.527 13.911 8.359 1.00 44.21 H new ATOM 632 N GLU A 40 7.167 8.448 0.960 1.00 73.34 N ATOM 633 CA GLU A 40 8.188 8.774 -0.028 1.00 70.54 C ATOM 634 C GLU A 40 7.575 9.486 -1.230 1.00 0.31 C ATOM 635 O GLU A 40 8.182 10.391 -1.807 1.00 65.31 O ATOM 636 CB GLU A 40 8.910 7.504 -0.487 1.00 5.21 C ATOM 637 CG GLU A 40 10.303 7.761 -1.035 1.00 20.21 C ATOM 638 CD GLU A 40 11.252 8.303 0.016 1.00 61.11 C ATOM 639 OE1 GLU A 40 11.258 7.768 1.144 1.00 65.03 O ATOM 640 OE2 GLU A 40 11.989 9.263 -0.290 1.00 54.13 O ATOM 0 H GLU A 40 6.849 7.479 0.935 1.00 73.34 H new ATOM 0 HA GLU A 40 8.909 9.444 0.440 1.00 70.54 H new ATOM 0 HB2 GLU A 40 8.981 6.813 0.353 1.00 5.21 H new ATOM 0 HB3 GLU A 40 8.312 7.013 -1.254 1.00 5.21 H new ATOM 0 HG2 GLU A 40 10.707 6.833 -1.440 1.00 20.21 H new ATOM 0 HG3 GLU A 40 10.239 8.469 -1.862 1.00 20.21 H new ATOM 647 N LEU A 41 6.368 9.074 -1.602 1.00 71.44 N ATOM 648 CA LEU A 41 5.671 9.672 -2.736 1.00 71.52 C ATOM 649 C LEU A 41 5.335 11.133 -2.458 1.00 14.34 C ATOM 650 O LEU A 41 5.349 11.965 -3.365 1.00 43.12 O ATOM 651 CB LEU A 41 4.392 8.891 -3.041 1.00 4.53 C ATOM 652 CG LEU A 41 4.567 7.601 -3.842 1.00 54.10 C ATOM 653 CD1 LEU A 41 3.226 6.917 -4.054 1.00 20.42 C ATOM 654 CD2 LEU A 41 5.238 7.889 -5.177 1.00 33.02 C ATOM 0 H LEU A 41 5.852 8.328 -1.135 1.00 71.44 H new ATOM 0 HA LEU A 41 6.331 9.629 -3.602 1.00 71.52 H new ATOM 0 HB2 LEU A 41 3.907 8.645 -2.097 1.00 4.53 H new ATOM 0 HB3 LEU A 41 3.713 9.545 -3.588 1.00 4.53 H new ATOM 0 HG LEU A 41 5.208 6.928 -3.273 1.00 54.10 H new ATOM 0 HD11 LEU A 41 3.371 6.001 -4.626 1.00 20.42 H new ATOM 0 HD12 LEU A 41 2.784 6.675 -3.087 1.00 20.42 H new ATOM 0 HD13 LEU A 41 2.560 7.584 -4.601 1.00 20.42 H new ATOM 0 HD21 LEU A 41 5.355 6.959 -5.734 1.00 33.02 H new ATOM 0 HD22 LEU A 41 4.623 8.581 -5.752 1.00 33.02 H new ATOM 0 HD23 LEU A 41 6.218 8.333 -5.003 1.00 33.02 H new ATOM 666 N GLU A 42 5.036 11.438 -1.200 1.00 61.15 N ATOM 667 CA GLU A 42 4.698 12.800 -0.804 1.00 21.04 C ATOM 668 C GLU A 42 5.877 13.741 -1.031 1.00 40.25 C ATOM 669 O GLU A 42 5.710 14.856 -1.527 1.00 43.23 O ATOM 670 CB GLU A 42 4.276 12.839 0.666 1.00 75.42 C ATOM 671 CG GLU A 42 3.560 14.119 1.061 1.00 70.15 C ATOM 672 CD GLU A 42 4.271 14.867 2.173 1.00 63.41 C ATOM 673 OE1 GLU A 42 4.545 14.247 3.222 1.00 64.50 O ATOM 674 OE2 GLU A 42 4.552 16.070 1.994 1.00 62.41 O ATOM 0 H GLU A 42 5.021 10.761 -0.437 1.00 61.15 H new ATOM 0 HA GLU A 42 3.864 13.134 -1.422 1.00 21.04 H new ATOM 0 HB2 GLU A 42 3.624 11.990 0.870 1.00 75.42 H new ATOM 0 HB3 GLU A 42 5.160 12.719 1.292 1.00 75.42 H new ATOM 0 HG2 GLU A 42 3.475 14.767 0.189 1.00 70.15 H new ATOM 0 HG3 GLU A 42 2.546 13.880 1.380 1.00 70.15 H new ATOM 681 N ARG A 43 7.070 13.284 -0.664 1.00 12.32 N ATOM 682 CA ARG A 43 8.277 14.085 -0.826 1.00 53.02 C ATOM 683 C ARG A 43 8.744 14.078 -2.279 1.00 51.24 C ATOM 684 O ARG A 43 9.305 15.059 -2.766 1.00 0.53 O ATOM 685 CB ARG A 43 9.390 13.558 0.081 1.00 31.50 C ATOM 686 CG ARG A 43 10.692 14.333 -0.037 1.00 53.14 C ATOM 687 CD ARG A 43 11.649 13.671 -1.017 1.00 65.35 C ATOM 688 NE ARG A 43 12.224 14.632 -1.954 1.00 70.24 N ATOM 689 CZ ARG A 43 12.925 14.282 -3.027 1.00 3.31 C ATOM 690 NH1 ARG A 43 13.134 13.002 -3.298 1.00 5.04 N ATOM 691 NH2 ARG A 43 13.416 15.216 -3.832 1.00 61.51 N ATOM 0 H ARG A 43 7.226 12.364 -0.253 1.00 12.32 H new ATOM 0 HA ARG A 43 8.042 15.111 -0.543 1.00 53.02 H new ATOM 0 HB2 ARG A 43 9.050 13.592 1.116 1.00 31.50 H new ATOM 0 HB3 ARG A 43 9.577 12.511 -0.159 1.00 31.50 H new ATOM 0 HG2 ARG A 43 10.482 15.351 -0.364 1.00 53.14 H new ATOM 0 HG3 ARG A 43 11.164 14.404 0.943 1.00 53.14 H new ATOM 0 HD2 ARG A 43 12.450 13.179 -0.465 1.00 65.35 H new ATOM 0 HD3 ARG A 43 11.121 12.895 -1.572 1.00 65.35 H new ATOM 0 HE ARG A 43 12.080 15.626 -1.775 1.00 70.24 H new ATOM 0 HH11 ARG A 43 12.756 12.282 -2.682 1.00 5.04 H new ATOM 0 HH12 ARG A 43 13.673 12.737 -4.123 1.00 5.04 H new ATOM 0 HH21 ARG A 43 13.255 16.202 -3.627 1.00 61.51 H new ATOM 0 HH22 ARG A 43 13.954 14.948 -4.656 1.00 61.51 H new ATOM 705 N PHE A 44 8.510 12.965 -2.965 1.00 44.24 N ATOM 706 CA PHE A 44 8.906 12.829 -4.361 1.00 55.33 C ATOM 707 C PHE A 44 8.157 13.826 -5.239 1.00 54.41 C ATOM 708 O PHE A 44 8.530 14.061 -6.388 1.00 72.20 O ATOM 709 CB PHE A 44 8.646 11.404 -4.852 1.00 64.21 C ATOM 710 CG PHE A 44 9.900 10.626 -5.131 1.00 55.42 C ATOM 711 CD1 PHE A 44 10.771 11.028 -6.130 1.00 75.31 C ATOM 712 CD2 PHE A 44 10.208 9.494 -4.394 1.00 72.03 C ATOM 713 CE1 PHE A 44 11.927 10.314 -6.390 1.00 41.24 C ATOM 714 CE2 PHE A 44 11.362 8.777 -4.648 1.00 62.13 C ATOM 715 CZ PHE A 44 12.222 9.187 -5.648 1.00 3.11 C ATOM 0 H PHE A 44 8.048 12.143 -2.576 1.00 44.24 H new ATOM 0 HA PHE A 44 9.973 13.040 -4.431 1.00 55.33 H new ATOM 0 HB2 PHE A 44 8.058 10.873 -4.104 1.00 64.21 H new ATOM 0 HB3 PHE A 44 8.045 11.446 -5.760 1.00 64.21 H new ATOM 0 HD1 PHE A 44 10.545 11.909 -6.713 1.00 75.31 H new ATOM 0 HD2 PHE A 44 9.538 9.168 -3.612 1.00 72.03 H new ATOM 0 HE1 PHE A 44 12.598 10.637 -7.172 1.00 41.24 H new ATOM 0 HE2 PHE A 44 11.591 7.897 -4.065 1.00 62.13 H new ATOM 0 HZ PHE A 44 13.123 8.627 -5.849 1.00 3.11 H new ATOM 725 N ALA A 45 7.097 14.410 -4.689 1.00 35.20 N ATOM 726 CA ALA A 45 6.296 15.383 -5.421 1.00 42.43 C ATOM 727 C ALA A 45 5.128 14.709 -6.132 1.00 70.04 C ATOM 728 O ALA A 45 4.448 15.325 -6.952 1.00 3.35 O ATOM 729 CB ALA A 45 7.162 16.135 -6.421 1.00 45.30 C ATOM 0 H ALA A 45 6.773 14.226 -3.739 1.00 35.20 H new ATOM 0 HA ALA A 45 5.888 16.095 -4.703 1.00 42.43 H new ATOM 0 HB1 ALA A 45 6.550 16.858 -6.960 1.00 45.30 H new ATOM 0 HB2 ALA A 45 7.959 16.657 -5.892 1.00 45.30 H new ATOM 0 HB3 ALA A 45 7.598 15.429 -7.128 1.00 45.30 H new ATOM 735 N VAL A 46 4.901 13.439 -5.813 1.00 65.44 N ATOM 736 CA VAL A 46 3.814 12.679 -6.420 1.00 12.24 C ATOM 737 C VAL A 46 2.660 12.493 -5.443 1.00 13.11 C ATOM 738 O VAL A 46 2.863 12.102 -4.294 1.00 34.23 O ATOM 739 CB VAL A 46 4.295 11.297 -6.901 1.00 24.12 C ATOM 740 CG1 VAL A 46 3.109 10.400 -7.219 1.00 25.02 C ATOM 741 CG2 VAL A 46 5.205 11.441 -8.111 1.00 61.31 C ATOM 0 H VAL A 46 5.456 12.914 -5.137 1.00 65.44 H new ATOM 0 HA VAL A 46 3.468 13.254 -7.279 1.00 12.24 H new ATOM 0 HB VAL A 46 4.867 10.831 -6.099 1.00 24.12 H new ATOM 0 HG11 VAL A 46 3.468 9.428 -7.557 1.00 25.02 H new ATOM 0 HG12 VAL A 46 2.500 10.271 -6.324 1.00 25.02 H new ATOM 0 HG13 VAL A 46 2.507 10.858 -8.004 1.00 25.02 H new ATOM 0 HG21 VAL A 46 5.535 10.455 -8.437 1.00 61.31 H new ATOM 0 HG22 VAL A 46 4.660 11.927 -8.920 1.00 61.31 H new ATOM 0 HG23 VAL A 46 6.073 12.044 -7.844 1.00 61.31 H new ATOM 751 N ASN A 47 1.446 12.775 -5.906 1.00 33.44 N ATOM 752 CA ASN A 47 0.258 12.638 -5.073 1.00 53.41 C ATOM 753 C ASN A 47 0.211 11.262 -4.415 1.00 32.10 C ATOM 754 O ASN A 47 0.211 10.228 -5.082 1.00 21.44 O ATOM 755 CB ASN A 47 -1.004 12.860 -5.907 1.00 3.33 C ATOM 756 CG ASN A 47 -1.209 14.319 -6.266 1.00 4.33 C ATOM 757 OD1 ASN A 47 -0.452 15.189 -5.836 1.00 53.42 O ATOM 758 ND2 ASN A 47 -2.239 14.594 -7.060 1.00 53.00 N ATOM 0 H ASN A 47 1.260 13.100 -6.855 1.00 33.44 H new ATOM 0 HA ASN A 47 0.305 13.395 -4.290 1.00 53.41 H new ATOM 0 HB2 ASN A 47 -0.941 12.269 -6.821 1.00 3.33 H new ATOM 0 HB3 ASN A 47 -1.871 12.499 -5.353 1.00 3.33 H new ATOM 0 HD21 ASN A 47 -2.427 15.558 -7.336 1.00 53.00 H new ATOM 0 HD22 ASN A 47 -2.841 13.841 -7.393 1.00 53.00 H new ATOM 765 N PRO A 48 0.170 11.248 -3.075 1.00 45.13 N ATOM 766 CA PRO A 48 0.119 10.006 -2.297 1.00 35.25 C ATOM 767 C PRO A 48 -1.216 9.284 -2.444 1.00 34.53 C ATOM 768 O PRO A 48 -1.375 8.153 -1.983 1.00 11.50 O ATOM 769 CB PRO A 48 0.314 10.482 -0.855 1.00 5.25 C ATOM 770 CG PRO A 48 -0.164 11.893 -0.855 1.00 53.24 C ATOM 771 CD PRO A 48 0.167 12.443 -2.215 1.00 52.21 C ATOM 0 HA PRO A 48 0.868 9.287 -2.628 1.00 35.25 H new ATOM 0 HB2 PRO A 48 -0.256 9.871 -0.156 1.00 5.25 H new ATOM 0 HB3 PRO A 48 1.360 10.418 -0.555 1.00 5.25 H new ATOM 0 HG2 PRO A 48 -1.236 11.942 -0.665 1.00 53.24 H new ATOM 0 HG3 PRO A 48 0.325 12.471 -0.071 1.00 53.24 H new ATOM 0 HD2 PRO A 48 -0.573 13.173 -2.544 1.00 52.21 H new ATOM 0 HD3 PRO A 48 1.135 12.945 -2.221 1.00 52.21 H new ATOM 779 N GLY A 49 -2.173 9.943 -3.090 1.00 73.15 N ATOM 780 CA GLY A 49 -3.481 9.347 -3.285 1.00 5.34 C ATOM 781 C GLY A 49 -3.501 8.355 -4.432 1.00 4.33 C ATOM 782 O GLY A 49 -4.450 7.583 -4.578 1.00 74.33 O ATOM 0 H GLY A 49 -2.066 10.879 -3.482 1.00 73.15 H new ATOM 0 HA2 GLY A 49 -3.788 8.844 -2.368 1.00 5.34 H new ATOM 0 HA3 GLY A 49 -4.211 10.134 -3.476 1.00 5.34 H new ATOM 786 N LEU A 50 -2.454 8.377 -5.248 1.00 14.15 N ATOM 787 CA LEU A 50 -2.354 7.473 -6.389 1.00 4.14 C ATOM 788 C LEU A 50 -2.289 6.020 -5.930 1.00 1.35 C ATOM 789 O LEU A 50 -2.771 5.118 -6.616 1.00 50.51 O ATOM 790 CB LEU A 50 -1.120 7.812 -7.228 1.00 53.13 C ATOM 791 CG LEU A 50 -1.037 9.245 -7.752 1.00 54.54 C ATOM 792 CD1 LEU A 50 0.312 9.497 -8.408 1.00 41.13 C ATOM 793 CD2 LEU A 50 -2.168 9.522 -8.731 1.00 2.41 C ATOM 0 H LEU A 50 -1.662 9.011 -5.141 1.00 14.15 H new ATOM 0 HA LEU A 50 -3.247 7.601 -7.001 1.00 4.14 H new ATOM 0 HB2 LEU A 50 -0.232 7.614 -6.628 1.00 53.13 H new ATOM 0 HB3 LEU A 50 -1.087 7.133 -8.080 1.00 53.13 H new ATOM 0 HG LEU A 50 -1.140 9.926 -6.907 1.00 54.54 H new ATOM 0 HD11 LEU A 50 0.352 10.523 -8.775 1.00 41.13 H new ATOM 0 HD12 LEU A 50 1.106 9.341 -7.678 1.00 41.13 H new ATOM 0 HD13 LEU A 50 0.445 8.808 -9.242 1.00 41.13 H new ATOM 0 HD21 LEU A 50 -2.093 10.547 -9.094 1.00 2.41 H new ATOM 0 HD22 LEU A 50 -2.097 8.833 -9.573 1.00 2.41 H new ATOM 0 HD23 LEU A 50 -3.126 9.384 -8.229 1.00 2.41 H new ATOM 805 N LEU A 51 -1.691 5.801 -4.765 1.00 53.33 N ATOM 806 CA LEU A 51 -1.563 4.457 -4.211 1.00 3.52 C ATOM 807 C LEU A 51 -2.916 3.932 -3.740 1.00 35.34 C ATOM 808 O LEU A 51 -3.074 2.738 -3.487 1.00 43.45 O ATOM 809 CB LEU A 51 -0.570 4.456 -3.047 1.00 24.02 C ATOM 810 CG LEU A 51 0.873 4.820 -3.397 1.00 71.23 C ATOM 811 CD1 LEU A 51 1.752 4.769 -2.156 1.00 30.12 C ATOM 812 CD2 LEU A 51 1.413 3.890 -4.473 1.00 41.32 C ATOM 0 H LEU A 51 -1.287 6.536 -4.185 1.00 53.33 H new ATOM 0 HA LEU A 51 -1.192 3.800 -4.998 1.00 3.52 H new ATOM 0 HB2 LEU A 51 -0.927 5.155 -2.290 1.00 24.02 H new ATOM 0 HB3 LEU A 51 -0.574 3.465 -2.593 1.00 24.02 H new ATOM 0 HG LEU A 51 0.886 5.838 -3.786 1.00 71.23 H new ATOM 0 HD11 LEU A 51 2.776 5.031 -2.424 1.00 30.12 H new ATOM 0 HD12 LEU A 51 1.378 5.477 -1.416 1.00 30.12 H new ATOM 0 HD13 LEU A 51 1.733 3.763 -1.738 1.00 30.12 H new ATOM 0 HD21 LEU A 51 2.441 4.165 -4.709 1.00 41.32 H new ATOM 0 HD22 LEU A 51 1.386 2.862 -4.112 1.00 41.32 H new ATOM 0 HD23 LEU A 51 0.800 3.976 -5.370 1.00 41.32 H new ATOM 824 N GLU A 52 -3.889 4.831 -3.629 1.00 13.54 N ATOM 825 CA GLU A 52 -5.228 4.457 -3.192 1.00 54.12 C ATOM 826 C GLU A 52 -6.014 3.816 -4.331 1.00 12.25 C ATOM 827 O GLU A 52 -6.801 2.894 -4.118 1.00 62.23 O ATOM 828 CB GLU A 52 -5.978 5.684 -2.666 1.00 21.44 C ATOM 829 CG GLU A 52 -7.381 5.373 -2.173 1.00 21.13 C ATOM 830 CD GLU A 52 -7.827 6.299 -1.059 1.00 53.33 C ATOM 831 OE1 GLU A 52 -7.389 7.469 -1.051 1.00 43.42 O ATOM 832 OE2 GLU A 52 -8.611 5.855 -0.194 1.00 31.24 O ATOM 0 H GLU A 52 -3.774 5.823 -3.836 1.00 13.54 H new ATOM 0 HA GLU A 52 -5.129 3.728 -2.388 1.00 54.12 H new ATOM 0 HB2 GLU A 52 -5.406 6.128 -1.852 1.00 21.44 H new ATOM 0 HB3 GLU A 52 -6.037 6.431 -3.458 1.00 21.44 H new ATOM 0 HG2 GLU A 52 -8.080 5.450 -3.006 1.00 21.13 H new ATOM 0 HG3 GLU A 52 -7.418 4.342 -1.820 1.00 21.13 H new ATOM 839 N THR A 53 -5.796 4.312 -5.545 1.00 10.13 N ATOM 840 CA THR A 53 -6.484 3.791 -6.720 1.00 24.11 C ATOM 841 C THR A 53 -5.518 3.056 -7.642 1.00 33.02 C ATOM 842 O THR A 53 -4.397 3.510 -7.871 1.00 73.41 O ATOM 843 CB THR A 53 -7.177 4.916 -7.511 1.00 35.24 C ATOM 844 OG1 THR A 53 -6.288 5.433 -8.508 1.00 73.10 O ATOM 845 CG2 THR A 53 -7.614 6.040 -6.584 1.00 10.23 C ATOM 0 H THR A 53 -5.148 5.075 -5.740 1.00 10.13 H new ATOM 0 HA THR A 53 -7.240 3.093 -6.360 1.00 24.11 H new ATOM 0 HB THR A 53 -8.061 4.499 -7.993 1.00 35.24 H new ATOM 0 HG1 THR A 53 -6.737 6.147 -9.008 1.00 73.10 H new ATOM 0 HG21 THR A 53 -8.101 6.823 -7.166 1.00 10.23 H new ATOM 0 HG22 THR A 53 -8.313 5.650 -5.844 1.00 10.23 H new ATOM 0 HG23 THR A 53 -6.742 6.454 -6.077 1.00 10.23 H new ATOM 853 N SER A 54 -5.960 1.920 -8.171 1.00 63.45 N ATOM 854 CA SER A 54 -5.133 1.120 -9.066 1.00 34.30 C ATOM 855 C SER A 54 -4.616 1.965 -10.227 1.00 30.54 C ATOM 856 O SER A 54 -3.502 1.763 -10.707 1.00 54.32 O ATOM 857 CB SER A 54 -5.928 -0.072 -9.601 1.00 34.13 C ATOM 858 OG SER A 54 -6.262 0.110 -10.967 1.00 41.12 O ATOM 0 H SER A 54 -6.887 1.533 -7.995 1.00 63.45 H new ATOM 0 HA SER A 54 -4.278 0.751 -8.499 1.00 34.30 H new ATOM 0 HB2 SER A 54 -5.344 -0.985 -9.485 1.00 34.13 H new ATOM 0 HB3 SER A 54 -6.838 -0.199 -9.015 1.00 34.13 H new ATOM 0 HG SER A 54 -6.768 -0.666 -11.286 1.00 41.12 H new ATOM 864 N GLU A 55 -5.437 2.911 -10.674 1.00 61.15 N ATOM 865 CA GLU A 55 -5.064 3.785 -11.779 1.00 1.40 C ATOM 866 C GLU A 55 -3.847 4.632 -11.416 1.00 21.54 C ATOM 867 O GLU A 55 -2.988 4.896 -12.257 1.00 23.11 O ATOM 868 CB GLU A 55 -6.236 4.694 -12.157 1.00 73.51 C ATOM 869 CG GLU A 55 -6.496 4.761 -13.652 1.00 42.40 C ATOM 870 CD GLU A 55 -7.447 5.881 -14.029 1.00 63.12 C ATOM 871 OE1 GLU A 55 -7.613 6.817 -13.220 1.00 31.13 O ATOM 872 OE2 GLU A 55 -8.025 5.821 -15.135 1.00 72.43 O ATOM 0 H GLU A 55 -6.364 3.091 -10.288 1.00 61.15 H new ATOM 0 HA GLU A 55 -4.808 3.159 -12.634 1.00 1.40 H new ATOM 0 HB2 GLU A 55 -7.136 4.339 -11.656 1.00 73.51 H new ATOM 0 HB3 GLU A 55 -6.039 5.700 -11.785 1.00 73.51 H new ATOM 0 HG2 GLU A 55 -5.550 4.901 -14.176 1.00 42.40 H new ATOM 0 HG3 GLU A 55 -6.909 3.810 -13.988 1.00 42.40 H new ATOM 879 N GLY A 56 -3.780 5.053 -10.157 1.00 11.25 N ATOM 880 CA GLY A 56 -2.666 5.865 -9.706 1.00 53.02 C ATOM 881 C GLY A 56 -1.331 5.169 -9.885 1.00 71.33 C ATOM 882 O GLY A 56 -0.383 5.755 -10.410 1.00 62.04 O ATOM 0 H GLY A 56 -4.477 4.846 -9.442 1.00 11.25 H new ATOM 0 HA2 GLY A 56 -2.659 6.805 -10.258 1.00 53.02 H new ATOM 0 HA3 GLY A 56 -2.804 6.114 -8.654 1.00 53.02 H new ATOM 886 N CYS A 57 -1.254 3.917 -9.448 1.00 24.03 N ATOM 887 CA CYS A 57 -0.025 3.141 -9.562 1.00 60.33 C ATOM 888 C CYS A 57 0.427 3.047 -11.015 1.00 24.14 C ATOM 889 O CYS A 57 1.592 3.284 -11.330 1.00 35.02 O ATOM 890 CB CYS A 57 -0.228 1.738 -8.986 1.00 54.31 C ATOM 891 SG CYS A 57 0.388 1.537 -7.298 1.00 2.21 S ATOM 0 H CYS A 57 -2.029 3.418 -9.011 1.00 24.03 H new ATOM 0 HA CYS A 57 0.752 3.651 -8.992 1.00 60.33 H new ATOM 0 HB2 CYS A 57 -1.292 1.500 -9.004 1.00 54.31 H new ATOM 0 HB3 CYS A 57 0.271 1.016 -9.632 1.00 54.31 H new ATOM 0 HG CYS A 57 1.137 0.476 -7.233 1.00 2.21 H new ATOM 897 N ARG A 58 -0.504 2.697 -11.897 1.00 21.42 N ATOM 898 CA ARG A 58 -0.202 2.567 -13.317 1.00 14.45 C ATOM 899 C ARG A 58 0.623 3.754 -13.807 1.00 44.20 C ATOM 900 O ARG A 58 1.483 3.609 -14.676 1.00 23.31 O ATOM 901 CB ARG A 58 -1.494 2.461 -14.129 1.00 35.11 C ATOM 902 CG ARG A 58 -1.276 2.524 -15.632 1.00 25.24 C ATOM 903 CD ARG A 58 -2.568 2.266 -16.393 1.00 33.43 C ATOM 904 NE ARG A 58 -3.050 3.464 -17.074 1.00 41.15 N ATOM 905 CZ ARG A 58 -2.527 3.931 -18.202 1.00 52.13 C ATOM 906 NH1 ARG A 58 -1.508 3.302 -18.773 1.00 44.23 N ATOM 907 NH2 ARG A 58 -3.021 5.028 -18.760 1.00 4.13 N ATOM 0 H ARG A 58 -1.474 2.498 -11.653 1.00 21.42 H new ATOM 0 HA ARG A 58 0.381 1.657 -13.457 1.00 14.45 H new ATOM 0 HB2 ARG A 58 -1.993 1.524 -13.882 1.00 35.11 H new ATOM 0 HB3 ARG A 58 -2.166 3.267 -13.834 1.00 35.11 H new ATOM 0 HG2 ARG A 58 -0.882 3.504 -15.903 1.00 25.24 H new ATOM 0 HG3 ARG A 58 -0.527 1.787 -15.924 1.00 25.24 H new ATOM 0 HD2 ARG A 58 -2.406 1.474 -17.124 1.00 33.43 H new ATOM 0 HD3 ARG A 58 -3.331 1.910 -15.701 1.00 33.43 H new ATOM 0 HE ARG A 58 -3.832 3.971 -16.660 1.00 41.15 H new ATOM 0 HH11 ARG A 58 -1.125 2.459 -18.346 1.00 44.23 H new ATOM 0 HH12 ARG A 58 -1.107 3.662 -19.639 1.00 44.23 H new ATOM 0 HH21 ARG A 58 -3.804 5.514 -18.323 1.00 4.13 H new ATOM 0 HH22 ARG A 58 -2.618 5.385 -19.626 1.00 4.13 H new ATOM 921 N GLN A 59 0.354 4.927 -13.244 1.00 11.44 N ATOM 922 CA GLN A 59 1.070 6.140 -13.625 1.00 73.10 C ATOM 923 C GLN A 59 2.404 6.237 -12.891 1.00 23.00 C ATOM 924 O GLN A 59 3.414 6.636 -13.470 1.00 32.14 O ATOM 925 CB GLN A 59 0.219 7.375 -13.328 1.00 43.43 C ATOM 926 CG GLN A 59 0.282 8.434 -14.417 1.00 71.44 C ATOM 927 CD GLN A 59 0.228 9.844 -13.863 1.00 53.22 C ATOM 928 OE1 GLN A 59 0.703 10.108 -12.757 1.00 5.22 O ATOM 929 NE2 GLN A 59 -0.352 10.759 -14.630 1.00 41.41 N ATOM 0 H GLN A 59 -0.354 5.064 -12.523 1.00 11.44 H new ATOM 0 HA GLN A 59 1.268 6.094 -14.696 1.00 73.10 H new ATOM 0 HB2 GLN A 59 -0.818 7.067 -13.192 1.00 43.43 H new ATOM 0 HB3 GLN A 59 0.548 7.814 -12.386 1.00 43.43 H new ATOM 0 HG2 GLN A 59 1.201 8.307 -14.989 1.00 71.44 H new ATOM 0 HG3 GLN A 59 -0.547 8.288 -15.109 1.00 71.44 H new ATOM 0 HE21 GLN A 59 -0.732 10.496 -15.539 1.00 41.41 H new ATOM 0 HE22 GLN A 59 -0.418 11.725 -14.310 1.00 41.41 H new ATOM 938 N ILE A 60 2.398 5.871 -11.613 1.00 2.44 N ATOM 939 CA ILE A 60 3.607 5.918 -10.800 1.00 21.53 C ATOM 940 C ILE A 60 4.656 4.940 -11.320 1.00 2.03 C ATOM 941 O ILE A 60 5.753 5.340 -11.713 1.00 43.25 O ATOM 942 CB ILE A 60 3.307 5.595 -9.325 1.00 50.13 C ATOM 943 CG1 ILE A 60 2.229 6.536 -8.783 1.00 22.33 C ATOM 944 CG2 ILE A 60 4.575 5.698 -8.492 1.00 51.34 C ATOM 945 CD1 ILE A 60 1.485 5.980 -7.591 1.00 41.15 C ATOM 0 H ILE A 60 1.570 5.539 -11.119 1.00 2.44 H new ATOM 0 HA ILE A 60 3.994 6.934 -10.869 1.00 21.53 H new ATOM 0 HB ILE A 60 2.935 4.572 -9.261 1.00 50.13 H new ATOM 0 HG12 ILE A 60 2.692 7.482 -8.503 1.00 22.33 H new ATOM 0 HG13 ILE A 60 1.515 6.753 -9.577 1.00 22.33 H new ATOM 0 HG21 ILE A 60 4.347 5.467 -7.452 1.00 51.34 H new ATOM 0 HG22 ILE A 60 5.315 4.991 -8.867 1.00 51.34 H new ATOM 0 HG23 ILE A 60 4.974 6.710 -8.560 1.00 51.34 H new ATOM 0 HD11 ILE A 60 0.737 6.701 -7.261 1.00 41.15 H new ATOM 0 HD12 ILE A 60 0.993 5.049 -7.871 1.00 41.15 H new ATOM 0 HD13 ILE A 60 2.188 5.789 -6.780 1.00 41.15 H new ATOM 957 N LEU A 61 4.312 3.657 -11.322 1.00 43.14 N ATOM 958 CA LEU A 61 5.222 2.621 -11.795 1.00 41.24 C ATOM 959 C LEU A 61 5.789 2.978 -13.165 1.00 21.55 C ATOM 960 O LEU A 61 6.918 2.619 -13.494 1.00 33.12 O ATOM 961 CB LEU A 61 4.501 1.274 -11.863 1.00 34.40 C ATOM 962 CG LEU A 61 4.057 0.682 -10.525 1.00 61.51 C ATOM 963 CD1 LEU A 61 2.836 -0.206 -10.714 1.00 61.41 C ATOM 964 CD2 LEU A 61 5.194 -0.101 -9.884 1.00 2.21 C ATOM 0 H LEU A 61 3.408 3.309 -11.001 1.00 43.14 H new ATOM 0 HA LEU A 61 6.049 2.548 -11.089 1.00 41.24 H new ATOM 0 HB2 LEU A 61 3.622 1.387 -12.497 1.00 34.40 H new ATOM 0 HB3 LEU A 61 5.159 0.557 -12.354 1.00 34.40 H new ATOM 0 HG LEU A 61 3.786 1.501 -9.859 1.00 61.51 H new ATOM 0 HD11 LEU A 61 2.534 -0.619 -9.752 1.00 61.41 H new ATOM 0 HD12 LEU A 61 2.018 0.383 -11.129 1.00 61.41 H new ATOM 0 HD13 LEU A 61 3.080 -1.020 -11.397 1.00 61.41 H new ATOM 0 HD21 LEU A 61 4.860 -0.515 -8.933 1.00 2.21 H new ATOM 0 HD22 LEU A 61 5.496 -0.912 -10.547 1.00 2.21 H new ATOM 0 HD23 LEU A 61 6.042 0.563 -9.713 1.00 2.21 H new ATOM 976 N GLY A 62 4.995 3.690 -13.961 1.00 74.40 N ATOM 977 CA GLY A 62 5.436 4.085 -15.286 1.00 63.13 C ATOM 978 C GLY A 62 6.542 5.120 -15.244 1.00 13.30 C ATOM 979 O GLY A 62 7.420 5.133 -16.105 1.00 53.13 O ATOM 0 H GLY A 62 4.056 4.000 -13.712 1.00 74.40 H new ATOM 0 HA2 GLY A 62 5.786 3.205 -15.826 1.00 63.13 H new ATOM 0 HA3 GLY A 62 4.589 4.485 -15.843 1.00 63.13 H new ATOM 983 N GLN A 63 6.498 5.991 -14.241 1.00 75.32 N ATOM 984 CA GLN A 63 7.505 7.036 -14.092 1.00 64.00 C ATOM 985 C GLN A 63 8.819 6.457 -13.582 1.00 33.12 C ATOM 986 O GLN A 63 9.888 6.745 -14.123 1.00 20.31 O ATOM 987 CB GLN A 63 7.006 8.121 -13.136 1.00 21.21 C ATOM 988 CG GLN A 63 6.466 9.354 -13.843 1.00 53.04 C ATOM 989 CD GLN A 63 5.067 9.721 -13.390 1.00 74.31 C ATOM 990 OE1 GLN A 63 4.157 9.868 -14.206 1.00 11.45 O ATOM 991 NE2 GLN A 63 4.888 9.871 -12.083 1.00 21.22 N ATOM 0 H GLN A 63 5.777 5.994 -13.520 1.00 75.32 H new ATOM 0 HA GLN A 63 7.681 7.479 -15.072 1.00 64.00 H new ATOM 0 HB2 GLN A 63 6.223 7.704 -12.503 1.00 21.21 H new ATOM 0 HB3 GLN A 63 7.823 8.418 -12.479 1.00 21.21 H new ATOM 0 HG2 GLN A 63 7.135 10.195 -13.661 1.00 53.04 H new ATOM 0 HG3 GLN A 63 6.461 9.178 -14.919 1.00 53.04 H new ATOM 0 HE21 GLN A 63 5.671 9.739 -11.443 1.00 21.22 H new ATOM 0 HE22 GLN A 63 3.968 10.118 -11.719 1.00 21.22 H new ATOM 1000 N LEU A 64 8.735 5.641 -12.538 1.00 71.41 N ATOM 1001 CA LEU A 64 9.919 5.020 -11.953 1.00 42.31 C ATOM 1002 C LEU A 64 10.441 3.896 -12.843 1.00 43.21 C ATOM 1003 O LEU A 64 11.612 3.526 -12.767 1.00 64.43 O ATOM 1004 CB LEU A 64 9.599 4.477 -10.559 1.00 32.22 C ATOM 1005 CG LEU A 64 8.930 5.456 -9.594 1.00 32.21 C ATOM 1006 CD1 LEU A 64 8.451 4.731 -8.346 1.00 43.01 C ATOM 1007 CD2 LEU A 64 9.888 6.580 -9.226 1.00 4.41 C ATOM 0 H LEU A 64 7.859 5.393 -12.078 1.00 71.41 H new ATOM 0 HA LEU A 64 10.694 5.781 -11.870 1.00 42.31 H new ATOM 0 HB2 LEU A 64 8.951 3.607 -10.670 1.00 32.22 H new ATOM 0 HB3 LEU A 64 10.527 4.128 -10.105 1.00 32.22 H new ATOM 0 HG LEU A 64 8.063 5.892 -10.091 1.00 32.21 H new ATOM 0 HD11 LEU A 64 7.977 5.443 -7.671 1.00 43.01 H new ATOM 0 HD12 LEU A 64 7.731 3.962 -8.626 1.00 43.01 H new ATOM 0 HD13 LEU A 64 9.301 4.267 -7.846 1.00 43.01 H new ATOM 0 HD21 LEU A 64 9.395 7.268 -8.539 1.00 4.41 H new ATOM 0 HD22 LEU A 64 10.774 6.161 -8.748 1.00 4.41 H new ATOM 0 HD23 LEU A 64 10.182 7.117 -10.128 1.00 4.41 H new ATOM 1019 N GLN A 65 9.563 3.361 -13.686 1.00 33.32 N ATOM 1020 CA GLN A 65 9.936 2.280 -14.591 1.00 52.52 C ATOM 1021 C GLN A 65 11.214 2.622 -15.350 1.00 54.02 C ATOM 1022 O GLN A 65 12.235 1.942 -15.236 1.00 64.14 O ATOM 1023 CB GLN A 65 8.803 2.000 -15.579 1.00 11.44 C ATOM 1024 CG GLN A 65 9.280 1.438 -16.908 1.00 3.44 C ATOM 1025 CD GLN A 65 8.151 0.854 -17.734 1.00 64.01 C ATOM 1026 OE1 GLN A 65 7.840 1.347 -18.819 1.00 1.21 O ATOM 1027 NE2 GLN A 65 7.529 -0.202 -17.224 1.00 63.31 N ATOM 0 H GLN A 65 8.590 3.658 -13.761 1.00 33.32 H new ATOM 0 HA GLN A 65 10.117 1.387 -13.994 1.00 52.52 H new ATOM 0 HB2 GLN A 65 8.103 1.297 -15.127 1.00 11.44 H new ATOM 0 HB3 GLN A 65 8.254 2.924 -15.761 1.00 11.44 H new ATOM 0 HG2 GLN A 65 9.770 2.228 -17.477 1.00 3.44 H new ATOM 0 HG3 GLN A 65 10.028 0.666 -16.724 1.00 3.44 H new ATOM 0 HE21 GLN A 65 7.819 -0.578 -16.321 1.00 63.31 H new ATOM 0 HE22 GLN A 65 6.761 -0.637 -17.735 1.00 63.31 H new ATOM 1036 N PRO A 66 11.162 3.702 -16.143 1.00 50.53 N ATOM 1037 CA PRO A 66 12.307 4.159 -16.936 1.00 23.11 C ATOM 1038 C PRO A 66 13.422 4.732 -16.067 1.00 31.24 C ATOM 1039 O PRO A 66 14.477 5.117 -16.569 1.00 3.15 O ATOM 1040 CB PRO A 66 11.709 5.252 -17.826 1.00 62.12 C ATOM 1041 CG PRO A 66 10.524 5.748 -17.072 1.00 72.12 C ATOM 1042 CD PRO A 66 9.979 4.561 -16.327 1.00 33.23 C ATOM 0 HA PRO A 66 12.769 3.343 -17.491 1.00 23.11 H new ATOM 0 HB2 PRO A 66 12.427 6.052 -18.007 1.00 62.12 H new ATOM 0 HB3 PRO A 66 11.421 4.856 -18.800 1.00 62.12 H new ATOM 0 HG2 PRO A 66 10.805 6.545 -16.384 1.00 72.12 H new ATOM 0 HG3 PRO A 66 9.776 6.161 -17.749 1.00 72.12 H new ATOM 0 HD2 PRO A 66 9.541 4.852 -15.372 1.00 33.23 H new ATOM 0 HD3 PRO A 66 9.198 4.054 -16.894 1.00 33.23 H new ATOM 1050 N SER A 67 13.182 4.783 -14.761 1.00 65.32 N ATOM 1051 CA SER A 67 14.165 5.310 -13.822 1.00 5.31 C ATOM 1052 C SER A 67 14.854 4.180 -13.064 1.00 44.01 C ATOM 1053 O SER A 67 15.861 4.393 -12.390 1.00 53.24 O ATOM 1054 CB SER A 67 13.496 6.269 -12.836 1.00 65.11 C ATOM 1055 OG SER A 67 14.458 6.926 -12.031 1.00 54.11 O ATOM 0 H SER A 67 12.314 4.465 -14.329 1.00 65.32 H new ATOM 0 HA SER A 67 14.919 5.853 -14.391 1.00 5.31 H new ATOM 0 HB2 SER A 67 12.910 7.007 -13.383 1.00 65.11 H new ATOM 0 HB3 SER A 67 12.802 5.718 -12.202 1.00 65.11 H new ATOM 0 HG SER A 67 15.299 7.009 -12.528 1.00 54.11 H new ATOM 1061 N LEU A 68 14.302 2.977 -13.179 1.00 50.42 N ATOM 1062 CA LEU A 68 14.862 1.811 -12.504 1.00 41.50 C ATOM 1063 C LEU A 68 16.343 1.652 -12.831 1.00 31.04 C ATOM 1064 O LEU A 68 17.081 0.989 -12.103 1.00 52.12 O ATOM 1065 CB LEU A 68 14.100 0.548 -12.910 1.00 54.42 C ATOM 1066 CG LEU A 68 12.778 0.300 -12.184 1.00 64.41 C ATOM 1067 CD1 LEU A 68 11.941 -0.724 -12.934 1.00 21.53 C ATOM 1068 CD2 LEU A 68 13.031 -0.159 -10.755 1.00 34.43 C ATOM 0 H LEU A 68 13.468 2.783 -13.733 1.00 50.42 H new ATOM 0 HA LEU A 68 14.760 1.960 -11.429 1.00 41.50 H new ATOM 0 HB2 LEU A 68 13.900 0.597 -13.980 1.00 54.42 H new ATOM 0 HB3 LEU A 68 14.749 -0.312 -12.746 1.00 54.42 H new ATOM 0 HG LEU A 68 12.223 1.238 -12.150 1.00 64.41 H new ATOM 0 HD11 LEU A 68 11.004 -0.888 -12.402 1.00 21.53 H new ATOM 0 HD12 LEU A 68 11.729 -0.356 -13.938 1.00 21.53 H new ATOM 0 HD13 LEU A 68 12.489 -1.664 -13.000 1.00 21.53 H new ATOM 0 HD21 LEU A 68 12.078 -0.331 -10.254 1.00 34.43 H new ATOM 0 HD22 LEU A 68 13.607 -1.084 -10.767 1.00 34.43 H new ATOM 0 HD23 LEU A 68 13.589 0.609 -10.220 1.00 34.43 H new ATOM 1080 N GLN A 69 16.771 2.266 -13.930 1.00 42.53 N ATOM 1081 CA GLN A 69 18.164 2.194 -14.352 1.00 72.22 C ATOM 1082 C GLN A 69 18.947 3.405 -13.856 1.00 2.42 C ATOM 1083 O GLN A 69 20.081 3.279 -13.393 1.00 33.02 O ATOM 1084 CB GLN A 69 18.254 2.103 -15.876 1.00 14.41 C ATOM 1085 CG GLN A 69 19.601 1.609 -16.378 1.00 12.44 C ATOM 1086 CD GLN A 69 19.475 0.685 -17.573 1.00 61.11 C ATOM 1087 OE1 GLN A 69 18.614 0.876 -18.433 1.00 73.21 O ATOM 1088 NE2 GLN A 69 20.334 -0.326 -17.633 1.00 11.25 N ATOM 0 H GLN A 69 16.172 2.819 -14.544 1.00 42.53 H new ATOM 0 HA GLN A 69 18.603 1.297 -13.915 1.00 72.22 H new ATOM 0 HB2 GLN A 69 17.473 1.434 -16.238 1.00 14.41 H new ATOM 0 HB3 GLN A 69 18.055 3.086 -16.303 1.00 14.41 H new ATOM 0 HG2 GLN A 69 20.220 2.465 -16.649 1.00 12.44 H new ATOM 0 HG3 GLN A 69 20.115 1.086 -15.572 1.00 12.44 H new ATOM 0 HE21 GLN A 69 21.031 -0.447 -16.899 1.00 11.25 H new ATOM 0 HE22 GLN A 69 20.296 -0.982 -18.414 1.00 11.25 H new ATOM 1097 N THR A 70 18.335 4.581 -13.955 1.00 61.11 N ATOM 1098 CA THR A 70 18.974 5.815 -13.518 1.00 43.32 C ATOM 1099 C THR A 70 19.014 5.906 -11.997 1.00 72.54 C ATOM 1100 O THR A 70 20.078 6.075 -11.403 1.00 51.21 O ATOM 1101 CB THR A 70 18.246 7.053 -14.074 1.00 25.35 C ATOM 1102 OG1 THR A 70 16.850 6.981 -13.763 1.00 10.15 O ATOM 1103 CG2 THR A 70 18.429 7.157 -15.582 1.00 50.25 C ATOM 0 H THR A 70 17.396 4.704 -14.335 1.00 61.11 H new ATOM 0 HA THR A 70 19.993 5.796 -13.906 1.00 43.32 H new ATOM 0 HB THR A 70 18.677 7.940 -13.609 1.00 25.35 H new ATOM 0 HG1 THR A 70 16.394 7.772 -14.119 1.00 10.15 H new ATOM 0 HG21 THR A 70 17.906 8.039 -15.952 1.00 50.25 H new ATOM 0 HG22 THR A 70 19.491 7.240 -15.815 1.00 50.25 H new ATOM 0 HG23 THR A 70 18.022 6.266 -16.060 1.00 50.25 H new ATOM 1111 N GLY A 71 17.848 5.790 -11.370 1.00 63.20 N ATOM 1112 CA GLY A 71 17.773 5.859 -9.923 1.00 45.42 C ATOM 1113 C GLY A 71 18.638 4.815 -9.246 1.00 61.41 C ATOM 1114 O GLY A 71 19.080 3.859 -9.882 1.00 35.22 O ATOM 0 H GLY A 71 16.953 5.649 -11.839 1.00 63.20 H new ATOM 0 HA2 GLY A 71 18.082 6.851 -9.593 1.00 45.42 H new ATOM 0 HA3 GLY A 71 16.737 5.727 -9.609 1.00 45.42 H new ATOM 1118 N SER A 72 18.880 4.998 -7.952 1.00 64.21 N ATOM 1119 CA SER A 72 19.702 4.066 -7.190 1.00 75.25 C ATOM 1120 C SER A 72 18.843 2.981 -6.549 1.00 74.25 C ATOM 1121 O SER A 72 17.713 2.739 -6.972 1.00 51.42 O ATOM 1122 CB SER A 72 20.489 4.813 -6.111 1.00 55.35 C ATOM 1123 OG SER A 72 19.658 5.151 -5.014 1.00 34.42 O ATOM 0 H SER A 72 18.519 5.783 -7.410 1.00 64.21 H new ATOM 0 HA SER A 72 20.401 3.591 -7.878 1.00 75.25 H new ATOM 0 HB2 SER A 72 21.317 4.194 -5.766 1.00 55.35 H new ATOM 0 HB3 SER A 72 20.923 5.719 -6.535 1.00 55.35 H new ATOM 0 HG SER A 72 20.185 5.626 -4.338 1.00 34.42 H new ATOM 1129 N GLU A 73 19.388 2.331 -5.525 1.00 60.35 N ATOM 1130 CA GLU A 73 18.670 1.271 -4.826 1.00 54.12 C ATOM 1131 C GLU A 73 17.391 1.807 -4.190 1.00 3.34 C ATOM 1132 O GLU A 73 16.464 1.050 -3.905 1.00 13.13 O ATOM 1133 CB GLU A 73 19.563 0.645 -3.751 1.00 25.42 C ATOM 1134 CG GLU A 73 19.013 -0.653 -3.185 1.00 24.23 C ATOM 1135 CD GLU A 73 19.847 -1.189 -2.038 1.00 73.42 C ATOM 1136 OE1 GLU A 73 21.070 -0.932 -2.024 1.00 63.53 O ATOM 1137 OE2 GLU A 73 19.279 -1.866 -1.156 1.00 53.13 O ATOM 0 H GLU A 73 20.322 2.519 -5.162 1.00 60.35 H new ATOM 0 HA GLU A 73 18.400 0.508 -5.556 1.00 54.12 H new ATOM 0 HB2 GLU A 73 20.550 0.458 -4.174 1.00 25.42 H new ATOM 0 HB3 GLU A 73 19.695 1.359 -2.938 1.00 25.42 H new ATOM 0 HG2 GLU A 73 17.991 -0.491 -2.842 1.00 24.23 H new ATOM 0 HG3 GLU A 73 18.968 -1.400 -3.977 1.00 24.23 H new ATOM 1144 N GLU A 74 17.349 3.118 -3.972 1.00 34.20 N ATOM 1145 CA GLU A 74 16.184 3.754 -3.370 1.00 41.04 C ATOM 1146 C GLU A 74 14.965 3.628 -4.278 1.00 42.02 C ATOM 1147 O GLU A 74 13.824 3.639 -3.810 1.00 74.40 O ATOM 1148 CB GLU A 74 16.471 5.230 -3.085 1.00 14.13 C ATOM 1149 CG GLU A 74 16.489 5.573 -1.606 1.00 53.22 C ATOM 1150 CD GLU A 74 17.223 6.869 -1.316 1.00 61.33 C ATOM 1151 OE1 GLU A 74 17.898 7.385 -2.231 1.00 70.35 O ATOM 1152 OE2 GLU A 74 17.122 7.365 -0.175 1.00 53.04 O ATOM 0 H GLU A 74 18.108 3.759 -4.203 1.00 34.20 H new ATOM 0 HA GLU A 74 15.970 3.245 -2.430 1.00 41.04 H new ATOM 0 HB2 GLU A 74 17.434 5.495 -3.522 1.00 14.13 H new ATOM 0 HB3 GLU A 74 15.717 5.840 -3.581 1.00 14.13 H new ATOM 0 HG2 GLU A 74 15.464 5.651 -1.243 1.00 53.22 H new ATOM 0 HG3 GLU A 74 16.962 4.761 -1.054 1.00 53.22 H new ATOM 1159 N LEU A 75 15.212 3.509 -5.577 1.00 2.24 N ATOM 1160 CA LEU A 75 14.135 3.381 -6.552 1.00 21.04 C ATOM 1161 C LEU A 75 13.696 1.927 -6.692 1.00 62.54 C ATOM 1162 O LEU A 75 12.593 1.642 -7.156 1.00 3.13 O ATOM 1163 CB LEU A 75 14.583 3.922 -7.911 1.00 1.32 C ATOM 1164 CG LEU A 75 13.481 4.495 -8.802 1.00 1.14 C ATOM 1165 CD1 LEU A 75 13.640 6.000 -8.948 1.00 44.21 C ATOM 1166 CD2 LEU A 75 13.494 3.821 -10.167 1.00 14.22 C ATOM 0 H LEU A 75 16.149 3.498 -5.980 1.00 2.24 H new ATOM 0 HA LEU A 75 13.286 3.965 -6.196 1.00 21.04 H new ATOM 0 HB2 LEU A 75 15.327 4.700 -7.742 1.00 1.32 H new ATOM 0 HB3 LEU A 75 15.080 3.118 -8.454 1.00 1.32 H new ATOM 0 HG LEU A 75 12.519 4.296 -8.329 1.00 1.14 H new ATOM 0 HD11 LEU A 75 12.846 6.390 -9.586 1.00 44.21 H new ATOM 0 HD12 LEU A 75 13.580 6.469 -7.966 1.00 44.21 H new ATOM 0 HD13 LEU A 75 14.608 6.222 -9.397 1.00 44.21 H new ATOM 0 HD21 LEU A 75 12.703 4.241 -10.788 1.00 14.22 H new ATOM 0 HD22 LEU A 75 14.459 3.988 -10.646 1.00 14.22 H new ATOM 0 HD23 LEU A 75 13.330 2.750 -10.046 1.00 14.22 H new ATOM 1178 N ARG A 76 14.568 1.010 -6.283 1.00 24.12 N ATOM 1179 CA ARG A 76 14.269 -0.416 -6.361 1.00 14.13 C ATOM 1180 C ARG A 76 13.287 -0.826 -5.269 1.00 73.12 C ATOM 1181 O ARG A 76 12.424 -1.676 -5.484 1.00 23.35 O ATOM 1182 CB ARG A 76 15.556 -1.235 -6.241 1.00 54.25 C ATOM 1183 CG ARG A 76 15.878 -2.051 -7.481 1.00 4.42 C ATOM 1184 CD ARG A 76 16.701 -3.283 -7.140 1.00 51.33 C ATOM 1185 NE ARG A 76 18.100 -2.952 -6.880 1.00 12.33 N ATOM 1186 CZ ARG A 76 18.987 -2.708 -7.838 1.00 74.22 C ATOM 1187 NH1 ARG A 76 18.624 -2.759 -9.112 1.00 0.53 N ATOM 1188 NH2 ARG A 76 20.242 -2.414 -7.522 1.00 13.00 N ATOM 0 H ARG A 76 15.486 1.228 -5.895 1.00 24.12 H new ATOM 0 HA ARG A 76 13.810 -0.614 -7.330 1.00 14.13 H new ATOM 0 HB2 ARG A 76 16.387 -0.561 -6.034 1.00 54.25 H new ATOM 0 HB3 ARG A 76 15.470 -1.907 -5.387 1.00 54.25 H new ATOM 0 HG2 ARG A 76 14.952 -2.355 -7.968 1.00 4.42 H new ATOM 0 HG3 ARG A 76 16.425 -1.433 -8.193 1.00 4.42 H new ATOM 0 HD2 ARG A 76 16.275 -3.772 -6.264 1.00 51.33 H new ATOM 0 HD3 ARG A 76 16.644 -3.996 -7.962 1.00 51.33 H new ATOM 0 HE ARG A 76 18.413 -2.906 -5.910 1.00 12.33 H new ATOM 0 HH11 ARG A 76 17.661 -2.986 -9.359 1.00 0.53 H new ATOM 0 HH12 ARG A 76 19.308 -2.571 -9.845 1.00 0.53 H new ATOM 0 HH21 ARG A 76 20.526 -2.375 -6.543 1.00 13.00 H new ATOM 0 HH22 ARG A 76 20.923 -2.227 -8.258 1.00 13.00 H new ATOM 1202 N SER A 77 13.426 -0.217 -4.096 1.00 32.01 N ATOM 1203 CA SER A 77 12.554 -0.522 -2.968 1.00 65.33 C ATOM 1204 C SER A 77 11.142 0.003 -3.215 1.00 72.55 C ATOM 1205 O SER A 77 10.171 -0.508 -2.655 1.00 11.22 O ATOM 1206 CB SER A 77 13.117 0.085 -1.682 1.00 73.33 C ATOM 1207 OG SER A 77 14.258 -0.630 -1.238 1.00 61.42 O ATOM 0 H SER A 77 14.134 0.491 -3.902 1.00 32.01 H new ATOM 0 HA SER A 77 12.507 -1.606 -2.860 1.00 65.33 H new ATOM 0 HB2 SER A 77 13.382 1.128 -1.854 1.00 73.33 H new ATOM 0 HB3 SER A 77 12.352 0.074 -0.906 1.00 73.33 H new ATOM 0 HG SER A 77 14.600 -0.222 -0.416 1.00 61.42 H new ATOM 1213 N LEU A 78 11.037 1.025 -4.057 1.00 42.05 N ATOM 1214 CA LEU A 78 9.745 1.620 -4.379 1.00 41.23 C ATOM 1215 C LEU A 78 9.001 0.781 -5.413 1.00 72.34 C ATOM 1216 O LEU A 78 7.929 0.243 -5.135 1.00 3.22 O ATOM 1217 CB LEU A 78 9.935 3.045 -4.904 1.00 63.31 C ATOM 1218 CG LEU A 78 9.356 4.163 -4.036 1.00 63.53 C ATOM 1219 CD1 LEU A 78 9.773 3.981 -2.584 1.00 63.32 C ATOM 1220 CD2 LEU A 78 9.797 5.523 -4.554 1.00 64.03 C ATOM 0 H LEU A 78 11.831 1.459 -4.529 1.00 42.05 H new ATOM 0 HA LEU A 78 9.149 1.651 -3.467 1.00 41.23 H new ATOM 0 HB2 LEU A 78 11.003 3.225 -5.029 1.00 63.31 H new ATOM 0 HB3 LEU A 78 9.483 3.109 -5.894 1.00 63.31 H new ATOM 0 HG LEU A 78 8.268 4.113 -4.089 1.00 63.53 H new ATOM 0 HD11 LEU A 78 9.352 4.786 -1.981 1.00 63.32 H new ATOM 0 HD12 LEU A 78 9.406 3.022 -2.217 1.00 63.32 H new ATOM 0 HD13 LEU A 78 10.860 4.005 -2.512 1.00 63.32 H new ATOM 0 HD21 LEU A 78 9.376 6.306 -3.924 1.00 64.03 H new ATOM 0 HD22 LEU A 78 10.885 5.586 -4.532 1.00 64.03 H new ATOM 0 HD23 LEU A 78 9.447 5.653 -5.578 1.00 64.03 H new ATOM 1232 N TYR A 79 9.579 0.669 -6.603 1.00 30.12 N ATOM 1233 CA TYR A 79 8.971 -0.105 -7.678 1.00 24.53 C ATOM 1234 C TYR A 79 8.474 -1.453 -7.165 1.00 25.12 C ATOM 1235 O TYR A 79 7.363 -1.879 -7.481 1.00 50.44 O ATOM 1236 CB TYR A 79 9.975 -0.319 -8.813 1.00 44.21 C ATOM 1237 CG TYR A 79 9.330 -0.682 -10.132 1.00 61.13 C ATOM 1238 CD1 TYR A 79 8.499 0.215 -10.791 1.00 34.11 C ATOM 1239 CD2 TYR A 79 9.552 -1.922 -10.717 1.00 63.33 C ATOM 1240 CE1 TYR A 79 7.907 -0.113 -11.996 1.00 61.43 C ATOM 1241 CE2 TYR A 79 8.966 -2.259 -11.921 1.00 4.31 C ATOM 1242 CZ TYR A 79 8.144 -1.352 -12.558 1.00 52.54 C ATOM 1243 OH TYR A 79 7.557 -1.683 -13.757 1.00 60.31 O ATOM 0 H TYR A 79 10.468 1.105 -6.848 1.00 30.12 H new ATOM 0 HA TYR A 79 8.118 0.457 -8.057 1.00 24.53 H new ATOM 0 HB2 TYR A 79 10.562 0.590 -8.943 1.00 44.21 H new ATOM 0 HB3 TYR A 79 10.670 -1.109 -8.528 1.00 44.21 H new ATOM 0 HD1 TYR A 79 8.312 1.185 -10.354 1.00 34.11 H new ATOM 0 HD2 TYR A 79 10.194 -2.635 -10.222 1.00 63.33 H new ATOM 0 HE1 TYR A 79 7.263 0.596 -12.495 1.00 61.43 H new ATOM 0 HE2 TYR A 79 9.150 -3.228 -12.362 1.00 4.31 H new ATOM 0 HH TYR A 79 7.827 -2.589 -14.014 1.00 60.31 H new ATOM 1253 N ASN A 80 9.304 -2.119 -6.370 1.00 35.41 N ATOM 1254 CA ASN A 80 8.950 -3.419 -5.812 1.00 74.03 C ATOM 1255 C ASN A 80 7.621 -3.348 -5.067 1.00 1.40 C ATOM 1256 O ASN A 80 6.629 -3.944 -5.487 1.00 5.41 O ATOM 1257 CB ASN A 80 10.051 -3.909 -4.868 1.00 40.15 C ATOM 1258 CG ASN A 80 11.251 -4.459 -5.614 1.00 42.52 C ATOM 1259 OD1 ASN A 80 11.653 -3.921 -6.646 1.00 23.54 O ATOM 1260 ND2 ASN A 80 11.830 -5.534 -5.093 1.00 54.20 N ATOM 0 H ASN A 80 10.227 -1.780 -6.097 1.00 35.41 H new ATOM 0 HA ASN A 80 8.847 -4.124 -6.637 1.00 74.03 H new ATOM 0 HB2 ASN A 80 10.370 -3.086 -4.229 1.00 40.15 H new ATOM 0 HB3 ASN A 80 9.648 -4.682 -4.214 1.00 40.15 H new ATOM 0 HD21 ASN A 80 12.643 -5.948 -5.550 1.00 54.20 H new ATOM 0 HD22 ASN A 80 11.462 -5.946 -4.236 1.00 54.20 H new ATOM 1267 N THR A 81 7.608 -2.613 -3.959 1.00 51.11 N ATOM 1268 CA THR A 81 6.402 -2.463 -3.156 1.00 42.32 C ATOM 1269 C THR A 81 5.239 -1.951 -3.999 1.00 41.44 C ATOM 1270 O THR A 81 4.179 -2.575 -4.056 1.00 42.44 O ATOM 1271 CB THR A 81 6.628 -1.499 -1.976 1.00 74.53 C ATOM 1272 OG1 THR A 81 7.656 -2.009 -1.118 1.00 14.43 O ATOM 1273 CG2 THR A 81 5.346 -1.307 -1.180 1.00 0.10 C ATOM 0 H THR A 81 8.420 -2.112 -3.598 1.00 51.11 H new ATOM 0 HA THR A 81 6.158 -3.451 -2.767 1.00 42.32 H new ATOM 0 HB THR A 81 6.935 -0.533 -2.378 1.00 74.53 H new ATOM 0 HG1 THR A 81 8.528 -1.683 -1.423 1.00 14.43 H new ATOM 0 HG21 THR A 81 5.531 -0.622 -0.352 1.00 0.10 H new ATOM 0 HG22 THR A 81 4.574 -0.893 -1.828 1.00 0.10 H new ATOM 0 HG23 THR A 81 5.013 -2.268 -0.788 1.00 0.10 H new ATOM 1281 N ILE A 82 5.445 -0.813 -4.653 1.00 0.31 N ATOM 1282 CA ILE A 82 4.415 -0.219 -5.495 1.00 62.15 C ATOM 1283 C ILE A 82 3.778 -1.264 -6.405 1.00 45.14 C ATOM 1284 O ILE A 82 2.557 -1.303 -6.563 1.00 14.11 O ATOM 1285 CB ILE A 82 4.983 0.921 -6.360 1.00 12.31 C ATOM 1286 CG1 ILE A 82 5.570 2.021 -5.473 1.00 21.11 C ATOM 1287 CG2 ILE A 82 3.901 1.487 -7.269 1.00 63.51 C ATOM 1288 CD1 ILE A 82 6.596 2.881 -6.177 1.00 74.04 C ATOM 0 H ILE A 82 6.316 -0.284 -4.616 1.00 0.31 H new ATOM 0 HA ILE A 82 3.656 0.187 -4.826 1.00 62.15 H new ATOM 0 HB ILE A 82 5.781 0.519 -6.984 1.00 12.31 H new ATOM 0 HG12 ILE A 82 4.761 2.656 -5.112 1.00 21.11 H new ATOM 0 HG13 ILE A 82 6.030 1.564 -4.597 1.00 21.11 H new ATOM 0 HG21 ILE A 82 4.318 2.292 -7.874 1.00 63.51 H new ATOM 0 HG22 ILE A 82 3.526 0.699 -7.922 1.00 63.51 H new ATOM 0 HG23 ILE A 82 3.083 1.876 -6.663 1.00 63.51 H new ATOM 0 HD11 ILE A 82 6.969 3.639 -5.489 1.00 74.04 H new ATOM 0 HD12 ILE A 82 7.424 2.257 -6.514 1.00 74.04 H new ATOM 0 HD13 ILE A 82 6.135 3.367 -7.037 1.00 74.04 H new ATOM 1300 N ALA A 83 4.612 -2.111 -6.998 1.00 40.35 N ATOM 1301 CA ALA A 83 4.130 -3.159 -7.889 1.00 71.34 C ATOM 1302 C ALA A 83 3.101 -4.042 -7.191 1.00 70.23 C ATOM 1303 O ALA A 83 2.028 -4.308 -7.732 1.00 4.23 O ATOM 1304 CB ALA A 83 5.294 -4.000 -8.392 1.00 13.54 C ATOM 0 H ALA A 83 5.625 -2.092 -6.878 1.00 40.35 H new ATOM 0 HA ALA A 83 3.644 -2.683 -8.741 1.00 71.34 H new ATOM 0 HB1 ALA A 83 4.920 -4.779 -9.056 1.00 13.54 H new ATOM 0 HB2 ALA A 83 5.994 -3.365 -8.935 1.00 13.54 H new ATOM 0 HB3 ALA A 83 5.804 -4.460 -7.545 1.00 13.54 H new ATOM 1310 N VAL A 84 3.436 -4.495 -5.987 1.00 24.23 N ATOM 1311 CA VAL A 84 2.539 -5.349 -5.215 1.00 13.53 C ATOM 1312 C VAL A 84 1.175 -4.693 -5.037 1.00 43.50 C ATOM 1313 O VAL A 84 0.138 -5.348 -5.160 1.00 53.24 O ATOM 1314 CB VAL A 84 3.127 -5.670 -3.828 1.00 2.12 C ATOM 1315 CG1 VAL A 84 2.279 -6.713 -3.117 1.00 32.14 C ATOM 1316 CG2 VAL A 84 4.569 -6.140 -3.957 1.00 4.30 C ATOM 0 H VAL A 84 4.321 -4.285 -5.525 1.00 24.23 H new ATOM 0 HA VAL A 84 2.423 -6.276 -5.776 1.00 13.53 H new ATOM 0 HB VAL A 84 3.118 -4.760 -3.229 1.00 2.12 H new ATOM 0 HG11 VAL A 84 2.710 -6.927 -2.139 1.00 32.14 H new ATOM 0 HG12 VAL A 84 1.265 -6.334 -2.992 1.00 32.14 H new ATOM 0 HG13 VAL A 84 2.254 -7.627 -3.710 1.00 32.14 H new ATOM 0 HG21 VAL A 84 4.969 -6.362 -2.968 1.00 4.30 H new ATOM 0 HG22 VAL A 84 4.605 -7.038 -4.573 1.00 4.30 H new ATOM 0 HG23 VAL A 84 5.167 -5.356 -4.422 1.00 4.30 H new ATOM 1326 N LEU A 85 1.180 -3.397 -4.748 1.00 2.41 N ATOM 1327 CA LEU A 85 -0.058 -2.650 -4.553 1.00 71.13 C ATOM 1328 C LEU A 85 -0.907 -2.665 -5.820 1.00 43.44 C ATOM 1329 O LEU A 85 -2.070 -3.070 -5.796 1.00 51.52 O ATOM 1330 CB LEU A 85 0.250 -1.208 -4.148 1.00 1.35 C ATOM 1331 CG LEU A 85 -0.947 -0.258 -4.083 1.00 34.21 C ATOM 1332 CD1 LEU A 85 -1.953 -0.738 -3.049 1.00 51.02 C ATOM 1333 CD2 LEU A 85 -0.487 1.158 -3.767 1.00 62.43 C ATOM 0 H LEU A 85 2.028 -2.841 -4.643 1.00 2.41 H new ATOM 0 HA LEU A 85 -0.622 -3.131 -3.754 1.00 71.13 H new ATOM 0 HB2 LEU A 85 0.731 -1.221 -3.170 1.00 1.35 H new ATOM 0 HB3 LEU A 85 0.974 -0.800 -4.854 1.00 1.35 H new ATOM 0 HG LEU A 85 -1.435 -0.251 -5.058 1.00 34.21 H new ATOM 0 HD11 LEU A 85 -2.798 -0.050 -3.017 1.00 51.02 H new ATOM 0 HD12 LEU A 85 -2.306 -1.733 -3.319 1.00 51.02 H new ATOM 0 HD13 LEU A 85 -1.478 -0.775 -2.069 1.00 51.02 H new ATOM 0 HD21 LEU A 85 -1.352 1.820 -3.725 1.00 62.43 H new ATOM 0 HD22 LEU A 85 0.025 1.168 -2.805 1.00 62.43 H new ATOM 0 HD23 LEU A 85 0.195 1.501 -4.545 1.00 62.43 H new ATOM 1345 N TYR A 86 -0.318 -2.221 -6.925 1.00 22.34 N ATOM 1346 CA TYR A 86 -1.021 -2.183 -8.203 1.00 51.12 C ATOM 1347 C TYR A 86 -1.812 -3.468 -8.428 1.00 21.23 C ATOM 1348 O TYR A 86 -3.003 -3.429 -8.740 1.00 71.22 O ATOM 1349 CB TYR A 86 -0.028 -1.975 -9.348 1.00 44.13 C ATOM 1350 CG TYR A 86 -0.632 -2.190 -10.718 1.00 75.22 C ATOM 1351 CD1 TYR A 86 -1.647 -1.368 -11.189 1.00 62.02 C ATOM 1352 CD2 TYR A 86 -0.182 -3.216 -11.541 1.00 4.45 C ATOM 1353 CE1 TYR A 86 -2.201 -1.562 -12.440 1.00 73.35 C ATOM 1354 CE2 TYR A 86 -0.730 -3.415 -12.795 1.00 60.54 C ATOM 1355 CZ TYR A 86 -1.739 -2.587 -13.238 1.00 15.04 C ATOM 1356 OH TYR A 86 -2.287 -2.783 -14.485 1.00 14.11 O ATOM 0 H TYR A 86 0.644 -1.883 -6.962 1.00 22.34 H new ATOM 0 HA TYR A 86 -1.720 -1.347 -8.180 1.00 51.12 H new ATOM 0 HB2 TYR A 86 0.373 -0.963 -9.291 1.00 44.13 H new ATOM 0 HB3 TYR A 86 0.812 -2.658 -9.219 1.00 44.13 H new ATOM 0 HD1 TYR A 86 -2.010 -0.563 -10.567 1.00 62.02 H new ATOM 0 HD2 TYR A 86 0.607 -3.867 -11.196 1.00 4.45 H new ATOM 0 HE1 TYR A 86 -2.991 -0.915 -12.791 1.00 73.35 H new ATOM 0 HE2 TYR A 86 -0.369 -4.215 -13.424 1.00 60.54 H new ATOM 0 HH TYR A 86 -1.849 -3.545 -14.919 1.00 14.11 H new ATOM 1366 N CYS A 87 -1.142 -4.603 -8.268 1.00 22.43 N ATOM 1367 CA CYS A 87 -1.781 -5.901 -8.454 1.00 10.03 C ATOM 1368 C CYS A 87 -2.893 -6.111 -7.431 1.00 43.10 C ATOM 1369 O CYS A 87 -3.962 -6.627 -7.758 1.00 42.33 O ATOM 1370 CB CYS A 87 -0.749 -7.023 -8.340 1.00 54.05 C ATOM 1371 SG CYS A 87 -0.009 -7.509 -9.916 1.00 14.42 S ATOM 0 H CYS A 87 -0.156 -4.651 -8.010 1.00 22.43 H new ATOM 0 HA CYS A 87 -2.220 -5.922 -9.451 1.00 10.03 H new ATOM 0 HB2 CYS A 87 0.043 -6.706 -7.662 1.00 54.05 H new ATOM 0 HB3 CYS A 87 -1.224 -7.895 -7.890 1.00 54.05 H new ATOM 0 HG CYS A 87 0.852 -8.462 -9.715 1.00 14.42 H new ATOM 1377 N VAL A 88 -2.633 -5.709 -6.192 1.00 61.24 N ATOM 1378 CA VAL A 88 -3.611 -5.854 -5.119 1.00 22.33 C ATOM 1379 C VAL A 88 -4.944 -5.220 -5.503 1.00 51.24 C ATOM 1380 O VAL A 88 -6.007 -5.690 -5.098 1.00 22.10 O ATOM 1381 CB VAL A 88 -3.109 -5.215 -3.811 1.00 71.23 C ATOM 1382 CG1 VAL A 88 -4.237 -5.122 -2.795 1.00 41.42 C ATOM 1383 CG2 VAL A 88 -1.938 -6.007 -3.249 1.00 54.25 C ATOM 0 H VAL A 88 -1.753 -5.280 -5.905 1.00 61.24 H new ATOM 0 HA VAL A 88 -3.752 -6.923 -4.961 1.00 22.33 H new ATOM 0 HB VAL A 88 -2.765 -4.204 -4.028 1.00 71.23 H new ATOM 0 HG11 VAL A 88 -3.863 -4.668 -1.877 1.00 41.42 H new ATOM 0 HG12 VAL A 88 -5.043 -4.510 -3.201 1.00 41.42 H new ATOM 0 HG13 VAL A 88 -4.614 -6.121 -2.578 1.00 41.42 H new ATOM 0 HG21 VAL A 88 -1.595 -5.542 -2.325 1.00 54.25 H new ATOM 0 HG22 VAL A 88 -2.255 -7.030 -3.045 1.00 54.25 H new ATOM 0 HG23 VAL A 88 -1.124 -6.017 -3.974 1.00 54.25 H new ATOM 1393 N HIS A 89 -4.879 -4.148 -6.287 1.00 74.21 N ATOM 1394 CA HIS A 89 -6.081 -3.448 -6.728 1.00 64.31 C ATOM 1395 C HIS A 89 -6.691 -4.133 -7.948 1.00 63.12 C ATOM 1396 O HIS A 89 -7.918 -4.127 -8.043 1.00 71.42 O ATOM 1397 CB HIS A 89 -5.757 -1.991 -7.056 1.00 42.34 C ATOM 1398 CG HIS A 89 -5.535 -1.139 -5.844 1.00 60.01 C ATOM 1399 ND1 HIS A 89 -6.261 -1.281 -4.680 1.00 32.44 N ATOM 1400 CD2 HIS A 89 -4.660 -0.131 -5.618 1.00 62.24 C ATOM 1401 CE1 HIS A 89 -5.843 -0.398 -3.792 1.00 1.42 C ATOM 1402 NE2 HIS A 89 -4.871 0.313 -4.336 1.00 24.23 N ATOM 0 H HIS A 89 -4.007 -3.745 -6.630 1.00 74.21 H new ATOM 0 HA HIS A 89 -6.807 -3.476 -5.916 1.00 64.31 H new ATOM 0 HB2 HIS A 89 -4.865 -1.958 -7.682 1.00 42.34 H new ATOM 0 HB3 HIS A 89 -6.573 -1.569 -7.642 1.00 42.34 H new ATOM 0 HD2 HIS A 89 -3.931 0.253 -6.317 1.00 62.24 H new ATOM 0 HE1 HIS A 89 -6.230 -0.277 -2.791 1.00 1.42 H new ATOM 0 HE2 HIS A 89 -4.361 1.068 -3.878 1.00 24.23 H new ATOM 1411 N GLN A 90 -5.896 -4.702 -8.849 1.00 42.24 N ATOM 1412 CA GLN A 90 -6.434 -5.366 -10.030 1.00 50.44 C ATOM 1413 C GLN A 90 -6.955 -6.757 -9.682 1.00 14.22 C ATOM 1414 O GLN A 90 -7.059 -7.625 -10.549 1.00 63.15 O ATOM 1415 CB GLN A 90 -5.363 -5.466 -11.116 1.00 33.25 C ATOM 1416 CG GLN A 90 -5.903 -5.266 -12.524 1.00 54.11 C ATOM 1417 CD GLN A 90 -5.731 -6.494 -13.395 1.00 23.33 C ATOM 1418 OE1 GLN A 90 -6.562 -7.403 -13.377 1.00 53.33 O ATOM 1419 NE2 GLN A 90 -4.650 -6.529 -14.165 1.00 11.33 N ATOM 0 H GLN A 90 -4.878 -4.716 -8.783 1.00 42.24 H new ATOM 0 HA GLN A 90 -7.266 -4.770 -10.405 1.00 50.44 H new ATOM 0 HB2 GLN A 90 -4.591 -4.721 -10.923 1.00 33.25 H new ATOM 0 HB3 GLN A 90 -4.885 -6.444 -11.055 1.00 33.25 H new ATOM 0 HG2 GLN A 90 -6.961 -5.009 -12.470 1.00 54.11 H new ATOM 0 HG3 GLN A 90 -5.393 -4.422 -12.988 1.00 54.11 H new ATOM 0 HE21 GLN A 90 -3.987 -5.754 -14.149 1.00 11.33 H new ATOM 0 HE22 GLN A 90 -4.482 -7.331 -14.773 1.00 11.33 H new ATOM 1428 N ARG A 91 -7.279 -6.961 -8.410 1.00 50.33 N ATOM 1429 CA ARG A 91 -7.787 -8.247 -7.948 1.00 72.43 C ATOM 1430 C ARG A 91 -6.645 -9.234 -7.723 1.00 13.13 C ATOM 1431 O ARG A 91 -6.809 -10.242 -7.037 1.00 60.50 O ATOM 1432 CB ARG A 91 -8.780 -8.821 -8.960 1.00 0.24 C ATOM 1433 CG ARG A 91 -9.866 -9.678 -8.330 1.00 2.25 C ATOM 1434 CD ARG A 91 -11.102 -9.748 -9.213 1.00 72.43 C ATOM 1435 NE ARG A 91 -12.107 -8.761 -8.828 1.00 72.51 N ATOM 1436 CZ ARG A 91 -13.336 -8.728 -9.333 1.00 14.42 C ATOM 1437 NH1 ARG A 91 -13.708 -9.621 -10.238 1.00 40.00 N ATOM 1438 NH2 ARG A 91 -14.194 -7.799 -8.931 1.00 0.33 N ATOM 0 H ARG A 91 -7.199 -6.252 -7.681 1.00 50.33 H new ATOM 0 HA ARG A 91 -8.298 -8.087 -6.999 1.00 72.43 H new ATOM 0 HB2 ARG A 91 -9.247 -8.000 -9.504 1.00 0.24 H new ATOM 0 HB3 ARG A 91 -8.236 -9.419 -9.691 1.00 0.24 H new ATOM 0 HG2 ARG A 91 -9.483 -10.684 -8.158 1.00 2.25 H new ATOM 0 HG3 ARG A 91 -10.136 -9.268 -7.357 1.00 2.25 H new ATOM 0 HD2 ARG A 91 -10.815 -9.586 -10.252 1.00 72.43 H new ATOM 0 HD3 ARG A 91 -11.534 -10.747 -9.153 1.00 72.43 H new ATOM 0 HE ARG A 91 -11.852 -8.059 -8.134 1.00 72.51 H new ATOM 0 HH11 ARG A 91 -13.051 -10.336 -10.549 1.00 40.00 H new ATOM 0 HH12 ARG A 91 -14.652 -9.593 -10.624 1.00 40.00 H new ATOM 0 HH21 ARG A 91 -13.910 -7.110 -8.234 1.00 0.33 H new ATOM 0 HH22 ARG A 91 -15.137 -7.774 -9.319 1.00 0.33 H new ATOM 1452 N ILE A 92 -5.489 -8.936 -8.307 1.00 33.02 N ATOM 1453 CA ILE A 92 -4.321 -9.796 -8.171 1.00 53.22 C ATOM 1454 C ILE A 92 -3.823 -9.823 -6.729 1.00 65.21 C ATOM 1455 O ILE A 92 -3.813 -8.799 -6.046 1.00 73.22 O ATOM 1456 CB ILE A 92 -3.173 -9.337 -9.089 1.00 14.10 C ATOM 1457 CG1 ILE A 92 -3.612 -9.382 -10.554 1.00 44.24 C ATOM 1458 CG2 ILE A 92 -1.942 -10.205 -8.873 1.00 40.30 C ATOM 1459 CD1 ILE A 92 -2.921 -8.357 -11.424 1.00 54.55 C ATOM 0 H ILE A 92 -5.337 -8.105 -8.879 1.00 33.02 H new ATOM 0 HA ILE A 92 -4.632 -10.798 -8.465 1.00 53.22 H new ATOM 0 HB ILE A 92 -2.917 -8.308 -8.838 1.00 14.10 H new ATOM 0 HG12 ILE A 92 -3.415 -10.377 -10.953 1.00 44.24 H new ATOM 0 HG13 ILE A 92 -4.689 -9.224 -10.607 1.00 44.24 H new ATOM 0 HG21 ILE A 92 -1.139 -9.868 -9.529 1.00 40.30 H new ATOM 0 HG22 ILE A 92 -1.619 -10.127 -7.835 1.00 40.30 H new ATOM 0 HG23 ILE A 92 -2.184 -11.243 -9.100 1.00 40.30 H new ATOM 0 HD11 ILE A 92 -3.281 -8.447 -12.449 1.00 54.55 H new ATOM 0 HD12 ILE A 92 -3.138 -7.357 -11.050 1.00 54.55 H new ATOM 0 HD13 ILE A 92 -1.845 -8.527 -11.402 1.00 54.55 H new ATOM 1471 N ASP A 93 -3.412 -11.002 -6.274 1.00 53.04 N ATOM 1472 CA ASP A 93 -2.910 -11.162 -4.914 1.00 62.34 C ATOM 1473 C ASP A 93 -1.601 -11.945 -4.907 1.00 70.24 C ATOM 1474 O ASP A 93 -1.432 -12.884 -4.129 1.00 75.43 O ATOM 1475 CB ASP A 93 -3.950 -11.874 -4.046 1.00 53.05 C ATOM 1476 CG ASP A 93 -3.613 -11.806 -2.568 1.00 22.43 C ATOM 1477 OD1 ASP A 93 -3.057 -10.777 -2.132 1.00 2.54 O ATOM 1478 OD2 ASP A 93 -3.907 -12.784 -1.848 1.00 34.24 O ATOM 0 H ASP A 93 -3.417 -11.860 -6.826 1.00 53.04 H new ATOM 0 HA ASP A 93 -2.721 -10.171 -4.502 1.00 62.34 H new ATOM 0 HB2 ASP A 93 -4.929 -11.425 -4.214 1.00 53.05 H new ATOM 0 HB3 ASP A 93 -4.022 -12.918 -4.352 1.00 53.05 H new ATOM 1483 N VAL A 94 -0.678 -11.553 -5.778 1.00 23.03 N ATOM 1484 CA VAL A 94 0.616 -12.217 -5.873 1.00 73.25 C ATOM 1485 C VAL A 94 1.094 -12.688 -4.503 1.00 4.30 C ATOM 1486 O VAL A 94 1.196 -11.898 -3.564 1.00 24.00 O ATOM 1487 CB VAL A 94 1.682 -11.288 -6.485 1.00 4.51 C ATOM 1488 CG1 VAL A 94 1.394 -11.045 -7.958 1.00 31.45 C ATOM 1489 CG2 VAL A 94 1.743 -9.974 -5.722 1.00 42.34 C ATOM 0 H VAL A 94 -0.802 -10.778 -6.429 1.00 23.03 H new ATOM 0 HA VAL A 94 0.481 -13.080 -6.525 1.00 73.25 H new ATOM 0 HB VAL A 94 2.654 -11.774 -6.404 1.00 4.51 H new ATOM 0 HG11 VAL A 94 2.157 -10.387 -8.374 1.00 31.45 H new ATOM 0 HG12 VAL A 94 1.404 -11.995 -8.492 1.00 31.45 H new ATOM 0 HG13 VAL A 94 0.415 -10.579 -8.065 1.00 31.45 H new ATOM 0 HG21 VAL A 94 2.501 -9.330 -6.167 1.00 42.34 H new ATOM 0 HG22 VAL A 94 0.773 -9.480 -5.770 1.00 42.34 H new ATOM 0 HG23 VAL A 94 1.999 -10.169 -4.681 1.00 42.34 H new ATOM 1499 N LYS A 95 1.387 -13.978 -4.396 1.00 23.44 N ATOM 1500 CA LYS A 95 1.856 -14.556 -3.142 1.00 54.01 C ATOM 1501 C LYS A 95 3.271 -14.083 -2.822 1.00 23.40 C ATOM 1502 O LYS A 95 3.829 -14.426 -1.779 1.00 64.20 O ATOM 1503 CB LYS A 95 1.822 -16.084 -3.215 1.00 4.31 C ATOM 1504 CG LYS A 95 0.416 -16.660 -3.234 1.00 11.40 C ATOM 1505 CD LYS A 95 0.264 -17.724 -4.308 1.00 23.40 C ATOM 1506 CE LYS A 95 0.706 -19.090 -3.806 1.00 42.30 C ATOM 1507 NZ LYS A 95 -0.340 -20.126 -4.025 1.00 71.43 N ATOM 0 H LYS A 95 1.308 -14.645 -5.164 1.00 23.44 H new ATOM 0 HA LYS A 95 1.190 -14.223 -2.346 1.00 54.01 H new ATOM 0 HB2 LYS A 95 2.351 -16.409 -4.111 1.00 4.31 H new ATOM 0 HB3 LYS A 95 2.362 -16.493 -2.361 1.00 4.31 H new ATOM 0 HG2 LYS A 95 0.185 -17.090 -2.259 1.00 11.40 H new ATOM 0 HG3 LYS A 95 -0.304 -15.860 -3.409 1.00 11.40 H new ATOM 0 HD2 LYS A 95 -0.777 -17.772 -4.629 1.00 23.40 H new ATOM 0 HD3 LYS A 95 0.854 -17.448 -5.182 1.00 23.40 H new ATOM 0 HE2 LYS A 95 1.622 -19.386 -4.317 1.00 42.30 H new ATOM 0 HE3 LYS A 95 0.939 -19.028 -2.743 1.00 42.30 H new ATOM 0 HZ1 LYS A 95 -0.001 -21.043 -3.670 1.00 71.43 H new ATOM 0 HZ2 LYS A 95 -1.207 -19.857 -3.517 1.00 71.43 H new ATOM 0 HZ3 LYS A 95 -0.545 -20.203 -5.042 1.00 71.43 H new ATOM 1521 N ASP A 96 3.845 -13.295 -3.724 1.00 74.04 N ATOM 1522 CA ASP A 96 5.194 -12.774 -3.535 1.00 0.44 C ATOM 1523 C ASP A 96 5.454 -11.593 -4.465 1.00 35.14 C ATOM 1524 O ASP A 96 4.793 -11.440 -5.493 1.00 14.22 O ATOM 1525 CB ASP A 96 6.227 -13.873 -3.784 1.00 35.23 C ATOM 1526 CG ASP A 96 5.894 -14.718 -4.998 1.00 30.01 C ATOM 1527 OD1 ASP A 96 5.902 -14.173 -6.122 1.00 70.10 O ATOM 1528 OD2 ASP A 96 5.625 -15.925 -4.824 1.00 2.12 O ATOM 0 H ASP A 96 3.398 -13.003 -4.593 1.00 74.04 H new ATOM 0 HA ASP A 96 5.284 -12.429 -2.505 1.00 0.44 H new ATOM 0 HB2 ASP A 96 7.209 -13.420 -3.919 1.00 35.23 H new ATOM 0 HB3 ASP A 96 6.290 -14.514 -2.905 1.00 35.23 H new ATOM 1533 N THR A 97 6.424 -10.759 -4.098 1.00 64.32 N ATOM 1534 CA THR A 97 6.771 -9.591 -4.898 1.00 63.23 C ATOM 1535 C THR A 97 7.465 -9.998 -6.192 1.00 25.21 C ATOM 1536 O THR A 97 7.859 -9.148 -6.990 1.00 13.35 O ATOM 1537 CB THR A 97 7.685 -8.629 -4.118 1.00 74.00 C ATOM 1538 OG1 THR A 97 7.190 -8.453 -2.786 1.00 51.24 O ATOM 1539 CG2 THR A 97 7.771 -7.279 -4.815 1.00 32.32 C ATOM 0 H THR A 97 6.982 -10.872 -3.252 1.00 64.32 H new ATOM 0 HA THR A 97 5.838 -9.081 -5.135 1.00 63.23 H new ATOM 0 HB THR A 97 8.683 -9.064 -4.079 1.00 74.00 H new ATOM 0 HG1 THR A 97 7.141 -7.496 -2.579 1.00 51.24 H new ATOM 0 HG21 THR A 97 8.422 -6.616 -4.245 1.00 32.32 H new ATOM 0 HG22 THR A 97 8.177 -7.412 -5.818 1.00 32.32 H new ATOM 0 HG23 THR A 97 6.776 -6.840 -4.882 1.00 32.32 H new ATOM 1547 N LYS A 98 7.611 -11.303 -6.395 1.00 0.23 N ATOM 1548 CA LYS A 98 8.256 -11.823 -7.595 1.00 40.23 C ATOM 1549 C LYS A 98 7.270 -11.895 -8.756 1.00 44.33 C ATOM 1550 O LYS A 98 7.480 -11.278 -9.799 1.00 45.41 O ATOM 1551 CB LYS A 98 8.842 -13.211 -7.322 1.00 24.05 C ATOM 1552 CG LYS A 98 9.674 -13.755 -8.470 1.00 32.43 C ATOM 1553 CD LYS A 98 11.084 -13.189 -8.455 1.00 52.25 C ATOM 1554 CE LYS A 98 11.427 -12.509 -9.771 1.00 11.13 C ATOM 1555 NZ LYS A 98 11.245 -13.425 -10.932 1.00 63.42 N ATOM 0 H LYS A 98 7.291 -12.020 -5.744 1.00 0.23 H new ATOM 0 HA LYS A 98 9.062 -11.142 -7.869 1.00 40.23 H new ATOM 0 HB2 LYS A 98 9.460 -13.165 -6.426 1.00 24.05 H new ATOM 0 HB3 LYS A 98 8.028 -13.905 -7.113 1.00 24.05 H new ATOM 0 HG2 LYS A 98 9.717 -14.842 -8.406 1.00 32.43 H new ATOM 0 HG3 LYS A 98 9.193 -13.510 -9.417 1.00 32.43 H new ATOM 0 HD2 LYS A 98 11.181 -12.473 -7.639 1.00 52.25 H new ATOM 0 HD3 LYS A 98 11.797 -13.991 -8.262 1.00 52.25 H new ATOM 0 HE2 LYS A 98 10.797 -11.629 -9.900 1.00 11.13 H new ATOM 0 HE3 LYS A 98 12.459 -12.160 -9.742 1.00 11.13 H new ATOM 0 HZ1 LYS A 98 12.151 -13.539 -11.430 1.00 63.42 H new ATOM 0 HZ2 LYS A 98 10.916 -14.352 -10.594 1.00 63.42 H new ATOM 0 HZ3 LYS A 98 10.540 -13.024 -11.583 1.00 63.42 H new ATOM 1569 N GLU A 99 6.193 -12.651 -8.566 1.00 33.15 N ATOM 1570 CA GLU A 99 5.174 -12.802 -9.598 1.00 31.55 C ATOM 1571 C GLU A 99 4.453 -11.481 -9.849 1.00 54.43 C ATOM 1572 O GLU A 99 3.724 -11.335 -10.829 1.00 61.01 O ATOM 1573 CB GLU A 99 4.165 -13.880 -9.197 1.00 50.44 C ATOM 1574 CG GLU A 99 4.307 -15.170 -9.985 1.00 63.53 C ATOM 1575 CD GLU A 99 3.198 -15.359 -11.001 1.00 41.20 C ATOM 1576 OE1 GLU A 99 2.017 -15.368 -10.596 1.00 61.00 O ATOM 1577 OE2 GLU A 99 3.510 -15.496 -12.203 1.00 73.23 O ATOM 0 H GLU A 99 6.004 -13.168 -7.707 1.00 33.15 H new ATOM 0 HA GLU A 99 5.670 -13.105 -10.520 1.00 31.55 H new ATOM 0 HB2 GLU A 99 4.282 -14.098 -8.135 1.00 50.44 H new ATOM 0 HB3 GLU A 99 3.156 -13.490 -9.333 1.00 50.44 H new ATOM 0 HG2 GLU A 99 5.269 -15.174 -10.498 1.00 63.53 H new ATOM 0 HG3 GLU A 99 4.310 -16.014 -9.295 1.00 63.53 H new ATOM 1584 N ALA A 100 4.662 -10.521 -8.953 1.00 14.51 N ATOM 1585 CA ALA A 100 4.035 -9.211 -9.077 1.00 64.53 C ATOM 1586 C ALA A 100 4.871 -8.280 -9.947 1.00 51.03 C ATOM 1587 O ALA A 100 4.344 -7.583 -10.814 1.00 23.33 O ATOM 1588 CB ALA A 100 3.818 -8.599 -7.701 1.00 43.23 C ATOM 0 H ALA A 100 5.261 -10.626 -8.134 1.00 14.51 H new ATOM 0 HA ALA A 100 3.068 -9.343 -9.561 1.00 64.53 H new ATOM 0 HB1 ALA A 100 3.349 -7.621 -7.808 1.00 43.23 H new ATOM 0 HB2 ALA A 100 3.171 -9.249 -7.112 1.00 43.23 H new ATOM 0 HB3 ALA A 100 4.778 -8.488 -7.197 1.00 43.23 H new ATOM 1594 N LEU A 101 6.179 -8.273 -9.710 1.00 42.12 N ATOM 1595 CA LEU A 101 7.089 -7.426 -10.472 1.00 15.11 C ATOM 1596 C LEU A 101 7.183 -7.894 -11.921 1.00 55.30 C ATOM 1597 O LEU A 101 7.323 -7.083 -12.837 1.00 64.00 O ATOM 1598 CB LEU A 101 8.479 -7.432 -9.832 1.00 64.24 C ATOM 1599 CG LEU A 101 9.295 -6.148 -9.988 1.00 72.53 C ATOM 1600 CD1 LEU A 101 9.592 -5.880 -11.454 1.00 2.13 C ATOM 1601 CD2 LEU A 101 8.560 -4.970 -9.366 1.00 63.12 C ATOM 0 H LEU A 101 6.632 -8.844 -8.997 1.00 42.12 H new ATOM 0 HA LEU A 101 6.695 -6.410 -10.462 1.00 15.11 H new ATOM 0 HB2 LEU A 101 8.366 -7.640 -8.768 1.00 64.24 H new ATOM 0 HB3 LEU A 101 9.050 -8.256 -10.259 1.00 64.24 H new ATOM 0 HG LEU A 101 10.242 -6.276 -9.464 1.00 72.53 H new ATOM 0 HD11 LEU A 101 10.173 -4.963 -11.546 1.00 2.13 H new ATOM 0 HD12 LEU A 101 10.161 -6.713 -11.868 1.00 2.13 H new ATOM 0 HD13 LEU A 101 8.655 -5.772 -12.001 1.00 2.13 H new ATOM 0 HD21 LEU A 101 9.155 -4.065 -9.486 1.00 63.12 H new ATOM 0 HD22 LEU A 101 7.597 -4.840 -9.861 1.00 63.12 H new ATOM 0 HD23 LEU A 101 8.400 -5.160 -8.305 1.00 63.12 H new ATOM 1613 N ASP A 102 7.103 -9.205 -12.120 1.00 54.21 N ATOM 1614 CA ASP A 102 7.176 -9.780 -13.458 1.00 13.22 C ATOM 1615 C ASP A 102 5.862 -9.581 -14.207 1.00 42.31 C ATOM 1616 O ASP A 102 5.854 -9.234 -15.388 1.00 1.14 O ATOM 1617 CB ASP A 102 7.511 -11.270 -13.378 1.00 11.04 C ATOM 1618 CG ASP A 102 8.940 -11.565 -13.791 1.00 61.23 C ATOM 1619 OD1 ASP A 102 9.383 -11.023 -14.824 1.00 11.41 O ATOM 1620 OD2 ASP A 102 9.615 -12.339 -13.080 1.00 55.13 O ATOM 0 H ASP A 102 6.988 -9.889 -11.372 1.00 54.21 H new ATOM 0 HA ASP A 102 7.967 -9.267 -14.005 1.00 13.22 H new ATOM 0 HB2 ASP A 102 7.351 -11.621 -12.359 1.00 11.04 H new ATOM 0 HB3 ASP A 102 6.828 -11.828 -14.019 1.00 11.04 H new ATOM 1625 N LYS A 103 4.751 -9.804 -13.512 1.00 31.45 N ATOM 1626 CA LYS A 103 3.430 -9.650 -14.110 1.00 35.34 C ATOM 1627 C LYS A 103 3.256 -8.250 -14.689 1.00 0.44 C ATOM 1628 O LYS A 103 2.460 -8.041 -15.606 1.00 22.24 O ATOM 1629 CB LYS A 103 2.342 -9.922 -13.070 1.00 34.44 C ATOM 1630 CG LYS A 103 1.856 -11.362 -13.061 1.00 0.32 C ATOM 1631 CD LYS A 103 0.630 -11.542 -13.941 1.00 52.12 C ATOM 1632 CE LYS A 103 0.539 -12.960 -14.486 1.00 45.15 C ATOM 1633 NZ LYS A 103 -0.391 -13.049 -15.645 1.00 65.51 N ATOM 0 H LYS A 103 4.740 -10.092 -12.534 1.00 31.45 H new ATOM 0 HA LYS A 103 3.338 -10.374 -14.920 1.00 35.34 H new ATOM 0 HB2 LYS A 103 2.725 -9.670 -12.081 1.00 34.44 H new ATOM 0 HB3 LYS A 103 1.495 -9.263 -13.261 1.00 34.44 H new ATOM 0 HG2 LYS A 103 2.654 -12.018 -13.408 1.00 0.32 H new ATOM 0 HG3 LYS A 103 1.619 -11.661 -12.040 1.00 0.32 H new ATOM 0 HD2 LYS A 103 -0.268 -11.313 -13.367 1.00 52.12 H new ATOM 0 HD3 LYS A 103 0.668 -10.834 -14.769 1.00 52.12 H new ATOM 0 HE2 LYS A 103 1.530 -13.297 -14.789 1.00 45.15 H new ATOM 0 HE3 LYS A 103 0.201 -13.632 -13.697 1.00 45.15 H new ATOM 0 HZ1 LYS A 103 -0.426 -14.030 -15.988 1.00 65.51 H new ATOM 0 HZ2 LYS A 103 -1.343 -12.751 -15.350 1.00 65.51 H new ATOM 0 HZ3 LYS A 103 -0.055 -12.427 -16.408 1.00 65.51 H new ATOM 1647 N ILE A 104 4.004 -7.293 -14.150 1.00 65.15 N ATOM 1648 CA ILE A 104 3.932 -5.914 -14.614 1.00 12.40 C ATOM 1649 C ILE A 104 4.964 -5.647 -15.705 1.00 73.04 C ATOM 1650 O ILE A 104 4.705 -4.902 -16.649 1.00 20.40 O ATOM 1651 CB ILE A 104 4.152 -4.918 -13.460 1.00 52.05 C ATOM 1652 CG1 ILE A 104 3.097 -5.125 -12.371 1.00 35.40 C ATOM 1653 CG2 ILE A 104 4.112 -3.489 -13.979 1.00 55.43 C ATOM 1654 CD1 ILE A 104 3.497 -4.559 -11.026 1.00 31.04 C ATOM 0 H ILE A 104 4.667 -7.448 -13.391 1.00 65.15 H new ATOM 0 HA ILE A 104 2.931 -5.770 -15.020 1.00 12.40 H new ATOM 0 HB ILE A 104 5.135 -5.099 -13.026 1.00 52.05 H new ATOM 0 HG12 ILE A 104 2.163 -4.661 -12.688 1.00 35.40 H new ATOM 0 HG13 ILE A 104 2.902 -6.192 -12.264 1.00 35.40 H new ATOM 0 HG21 ILE A 104 4.269 -2.797 -13.152 1.00 55.43 H new ATOM 0 HG22 ILE A 104 4.897 -3.350 -14.722 1.00 55.43 H new ATOM 0 HG23 ILE A 104 3.141 -3.295 -14.435 1.00 55.43 H new ATOM 0 HD11 ILE A 104 2.702 -4.742 -10.303 1.00 31.04 H new ATOM 0 HD12 ILE A 104 4.414 -5.041 -10.687 1.00 31.04 H new ATOM 0 HD13 ILE A 104 3.664 -3.486 -11.118 1.00 31.04 H new ATOM 1666 N GLU A 105 6.135 -6.261 -15.566 1.00 31.15 N ATOM 1667 CA GLU A 105 7.207 -6.091 -16.540 1.00 3.02 C ATOM 1668 C GLU A 105 6.815 -6.686 -17.890 1.00 64.05 C ATOM 1669 O GLU A 105 7.226 -6.193 -18.940 1.00 43.34 O ATOM 1670 CB GLU A 105 8.494 -6.746 -16.036 1.00 12.32 C ATOM 1671 CG GLU A 105 9.299 -5.863 -15.096 1.00 24.02 C ATOM 1672 CD GLU A 105 10.596 -6.513 -14.653 1.00 4.43 C ATOM 1673 OE1 GLU A 105 10.535 -7.531 -13.934 1.00 0.32 O ATOM 1674 OE2 GLU A 105 11.672 -6.001 -15.027 1.00 3.24 O ATOM 0 H GLU A 105 6.365 -6.880 -14.789 1.00 31.15 H new ATOM 0 HA GLU A 105 7.379 -5.022 -16.669 1.00 3.02 H new ATOM 0 HB2 GLU A 105 8.242 -7.674 -15.523 1.00 12.32 H new ATOM 0 HB3 GLU A 105 9.115 -7.013 -16.891 1.00 12.32 H new ATOM 0 HG2 GLU A 105 9.521 -4.918 -15.592 1.00 24.02 H new ATOM 0 HG3 GLU A 105 8.696 -5.628 -14.219 1.00 24.02 H new ATOM 1681 N GLU A 106 6.018 -7.750 -17.852 1.00 14.02 N ATOM 1682 CA GLU A 106 5.572 -8.413 -19.071 1.00 34.34 C ATOM 1683 C GLU A 106 4.559 -7.552 -19.821 1.00 62.44 C ATOM 1684 O GLU A 106 4.643 -7.394 -21.037 1.00 32.41 O ATOM 1685 CB GLU A 106 4.956 -9.774 -18.742 1.00 71.23 C ATOM 1686 CG GLU A 106 5.895 -10.943 -18.989 1.00 21.21 C ATOM 1687 CD GLU A 106 5.861 -11.425 -20.426 1.00 34.11 C ATOM 1688 OE1 GLU A 106 6.621 -10.879 -21.253 1.00 14.23 O ATOM 1689 OE2 GLU A 106 5.074 -12.348 -20.725 1.00 41.44 O ATOM 0 H GLU A 106 5.669 -8.170 -16.991 1.00 14.02 H new ATOM 0 HA GLU A 106 6.442 -8.561 -19.711 1.00 34.34 H new ATOM 0 HB2 GLU A 106 4.648 -9.781 -17.696 1.00 71.23 H new ATOM 0 HB3 GLU A 106 4.055 -9.910 -19.340 1.00 71.23 H new ATOM 0 HG2 GLU A 106 6.912 -10.647 -18.733 1.00 21.21 H new ATOM 0 HG3 GLU A 106 5.626 -11.766 -18.327 1.00 21.21 H new ATOM 1696 N GLU A 107 3.602 -6.998 -19.082 1.00 72.20 N ATOM 1697 CA GLU A 107 2.572 -6.154 -19.677 1.00 64.15 C ATOM 1698 C GLU A 107 3.193 -4.951 -20.380 1.00 72.31 C ATOM 1699 O GLU A 107 2.648 -4.443 -21.359 1.00 4.21 O ATOM 1700 CB GLU A 107 1.589 -5.681 -18.605 1.00 63.04 C ATOM 1701 CG GLU A 107 0.138 -6.004 -18.923 1.00 1.21 C ATOM 1702 CD GLU A 107 -0.568 -4.870 -19.641 1.00 32.41 C ATOM 1703 OE1 GLU A 107 -0.460 -4.797 -20.883 1.00 74.30 O ATOM 1704 OE2 GLU A 107 -1.229 -4.057 -18.962 1.00 70.03 O ATOM 0 H GLU A 107 3.519 -7.118 -18.073 1.00 72.20 H new ATOM 0 HA GLU A 107 2.035 -6.747 -20.417 1.00 64.15 H new ATOM 0 HB2 GLU A 107 1.854 -6.141 -17.653 1.00 63.04 H new ATOM 0 HB3 GLU A 107 1.693 -4.603 -18.479 1.00 63.04 H new ATOM 0 HG2 GLU A 107 0.096 -6.902 -19.540 1.00 1.21 H new ATOM 0 HG3 GLU A 107 -0.392 -6.229 -17.997 1.00 1.21 H new ATOM 1711 N GLN A 108 4.336 -4.502 -19.872 1.00 31.42 N ATOM 1712 CA GLN A 108 5.031 -3.358 -20.451 1.00 55.45 C ATOM 1713 C GLN A 108 6.350 -3.787 -21.086 1.00 14.53 C ATOM 1714 O GLN A 108 7.275 -2.985 -21.219 1.00 21.20 O ATOM 1715 CB GLN A 108 5.288 -2.296 -19.381 1.00 13.10 C ATOM 1716 CG GLN A 108 4.017 -1.691 -18.806 1.00 21.45 C ATOM 1717 CD GLN A 108 3.168 -1.008 -19.860 1.00 5.32 C ATOM 1718 OE1 GLN A 108 2.101 -1.500 -20.229 1.00 44.44 O ATOM 1719 NE2 GLN A 108 3.638 0.133 -20.350 1.00 1.10 N ATOM 0 H GLN A 108 4.800 -4.912 -19.062 1.00 31.42 H new ATOM 0 HA GLN A 108 4.396 -2.934 -21.228 1.00 55.45 H new ATOM 0 HB2 GLN A 108 5.867 -2.740 -18.572 1.00 13.10 H new ATOM 0 HB3 GLN A 108 5.897 -1.500 -19.810 1.00 13.10 H new ATOM 0 HG2 GLN A 108 3.432 -2.474 -18.325 1.00 21.45 H new ATOM 0 HG3 GLN A 108 4.280 -0.969 -18.033 1.00 21.45 H new ATOM 0 HE21 GLN A 108 4.527 0.504 -20.015 1.00 1.10 H new ATOM 0 HE22 GLN A 108 3.110 0.638 -21.061 1.00 1.10 H new ATOM 1728 N ASN A 109 6.429 -5.055 -21.474 1.00 14.14 N ATOM 1729 CA ASN A 109 7.637 -5.589 -22.095 1.00 60.15 C ATOM 1730 C ASN A 109 7.794 -5.066 -23.519 1.00 2.33 C ATOM 1731 O ASN A 109 8.904 -4.781 -23.969 1.00 42.15 O ATOM 1732 CB ASN A 109 7.596 -7.119 -22.103 1.00 12.14 C ATOM 1733 CG ASN A 109 8.960 -7.735 -21.862 1.00 51.04 C ATOM 1734 OD1 ASN A 109 9.144 -8.514 -20.926 1.00 21.02 O ATOM 1735 ND2 ASN A 109 9.924 -7.387 -22.705 1.00 32.23 N ATOM 0 H ASN A 109 5.673 -5.732 -21.370 1.00 14.14 H new ATOM 0 HA ASN A 109 8.494 -5.257 -21.509 1.00 60.15 H new ATOM 0 HB2 ASN A 109 6.903 -7.465 -21.336 1.00 12.14 H new ATOM 0 HB3 ASN A 109 7.209 -7.464 -23.062 1.00 12.14 H new ATOM 0 HD21 ASN A 109 10.863 -7.769 -22.591 1.00 32.23 H new ATOM 0 HD22 ASN A 109 9.726 -6.738 -23.467 1.00 32.23 H new ATOM 1742 N LYS A 110 6.676 -4.942 -24.226 1.00 44.22 N ATOM 1743 CA LYS A 110 6.686 -4.451 -25.598 1.00 14.41 C ATOM 1744 C LYS A 110 7.233 -3.028 -25.663 1.00 35.31 C ATOM 1745 O LYS A 110 7.932 -2.664 -26.608 1.00 73.42 O ATOM 1746 CB LYS A 110 5.276 -4.494 -26.189 1.00 41.23 C ATOM 1747 CG LYS A 110 5.252 -4.533 -27.707 1.00 31.24 C ATOM 1748 CD LYS A 110 3.875 -4.898 -28.235 1.00 74.13 C ATOM 1749 CE LYS A 110 3.966 -5.684 -29.534 1.00 55.15 C ATOM 1750 NZ LYS A 110 4.479 -7.064 -29.312 1.00 32.25 N ATOM 0 H LYS A 110 5.749 -5.176 -23.870 1.00 44.22 H new ATOM 0 HA LYS A 110 7.338 -5.099 -26.184 1.00 14.41 H new ATOM 0 HB2 LYS A 110 4.756 -5.371 -25.803 1.00 41.23 H new ATOM 0 HB3 LYS A 110 4.722 -3.620 -25.848 1.00 41.23 H new ATOM 0 HG2 LYS A 110 5.548 -3.561 -28.101 1.00 31.24 H new ATOM 0 HG3 LYS A 110 5.983 -5.258 -28.065 1.00 31.24 H new ATOM 0 HD2 LYS A 110 3.343 -5.487 -27.489 1.00 74.13 H new ATOM 0 HD3 LYS A 110 3.294 -3.990 -28.398 1.00 74.13 H new ATOM 0 HE2 LYS A 110 2.981 -5.733 -29.999 1.00 55.15 H new ATOM 0 HE3 LYS A 110 4.621 -5.160 -30.230 1.00 55.15 H new ATOM 0 HZ1 LYS A 110 5.133 -7.319 -30.079 1.00 32.25 H new ATOM 0 HZ2 LYS A 110 4.980 -7.106 -28.402 1.00 32.25 H new ATOM 0 HZ3 LYS A 110 3.683 -7.733 -29.300 1.00 32.25 H new ATOM 1764 N SER A 111 6.910 -2.229 -24.651 1.00 54.21 N ATOM 1765 CA SER A 111 7.367 -0.846 -24.595 1.00 54.55 C ATOM 1766 C SER A 111 8.889 -0.772 -24.670 1.00 35.50 C ATOM 1767 O SER A 111 9.452 0.175 -25.220 1.00 21.14 O ATOM 1768 CB SER A 111 6.876 -0.176 -23.310 1.00 10.33 C ATOM 1769 OG SER A 111 6.191 1.033 -23.594 1.00 31.42 O ATOM 0 H SER A 111 6.334 -2.516 -23.859 1.00 54.21 H new ATOM 0 HA SER A 111 6.952 -0.318 -25.454 1.00 54.55 H new ATOM 0 HB2 SER A 111 6.214 -0.855 -22.772 1.00 10.33 H new ATOM 0 HB3 SER A 111 7.724 0.028 -22.656 1.00 10.33 H new ATOM 0 HG SER A 111 5.886 1.441 -22.757 1.00 31.42 H new ATOM 1775 N LYS A 112 9.552 -1.780 -24.111 1.00 52.40 N ATOM 1776 CA LYS A 112 11.009 -1.833 -24.114 1.00 54.11 C ATOM 1777 C LYS A 112 11.540 -2.118 -25.515 1.00 50.10 C ATOM 1778 O LYS A 112 12.546 -1.546 -25.938 1.00 21.30 O ATOM 1779 CB LYS A 112 11.503 -2.906 -23.142 1.00 40.14 C ATOM 1780 CG LYS A 112 12.802 -2.543 -22.444 1.00 63.35 C ATOM 1781 CD LYS A 112 13.228 -3.623 -21.462 1.00 72.02 C ATOM 1782 CE LYS A 112 13.578 -4.919 -22.177 1.00 35.31 C ATOM 1783 NZ LYS A 112 14.758 -5.590 -21.562 1.00 24.12 N ATOM 0 H LYS A 112 9.103 -2.571 -23.650 1.00 52.40 H new ATOM 0 HA LYS A 112 11.384 -0.861 -23.793 1.00 54.11 H new ATOM 0 HB2 LYS A 112 10.734 -3.085 -22.390 1.00 40.14 H new ATOM 0 HB3 LYS A 112 11.641 -3.841 -23.685 1.00 40.14 H new ATOM 0 HG2 LYS A 112 13.586 -2.395 -23.187 1.00 63.35 H new ATOM 0 HG3 LYS A 112 12.681 -1.597 -21.916 1.00 63.35 H new ATOM 0 HD2 LYS A 112 14.089 -3.277 -20.890 1.00 72.02 H new ATOM 0 HD3 LYS A 112 12.424 -3.805 -20.749 1.00 72.02 H new ATOM 0 HE2 LYS A 112 12.721 -5.592 -22.149 1.00 35.31 H new ATOM 0 HE3 LYS A 112 13.785 -4.710 -23.227 1.00 35.31 H new ATOM 0 HZ1 LYS A 112 14.965 -6.469 -22.077 1.00 24.12 H new ATOM 0 HZ2 LYS A 112 15.582 -4.957 -21.612 1.00 24.12 H new ATOM 0 HZ3 LYS A 112 14.552 -5.812 -20.567 1.00 24.12 H new ATOM 1797 N LYS A 113 10.858 -3.005 -26.232 1.00 1.42 N ATOM 1798 CA LYS A 113 11.259 -3.365 -27.587 1.00 10.32 C ATOM 1799 C LYS A 113 11.363 -2.126 -28.471 1.00 13.51 C ATOM 1800 O LYS A 113 12.132 -2.098 -29.431 1.00 32.25 O ATOM 1801 CB LYS A 113 10.259 -4.352 -28.191 1.00 23.42 C ATOM 1802 CG LYS A 113 10.914 -5.543 -28.870 1.00 10.14 C ATOM 1803 CD LYS A 113 9.935 -6.691 -29.049 1.00 20.14 C ATOM 1804 CE LYS A 113 9.004 -6.451 -30.228 1.00 2.21 C ATOM 1805 NZ LYS A 113 7.573 -6.609 -29.846 1.00 51.14 N ATOM 0 H LYS A 113 10.024 -3.488 -25.897 1.00 1.42 H new ATOM 0 HA LYS A 113 12.240 -3.837 -27.535 1.00 10.32 H new ATOM 0 HB2 LYS A 113 9.596 -4.712 -27.404 1.00 23.42 H new ATOM 0 HB3 LYS A 113 9.637 -3.828 -28.916 1.00 23.42 H new ATOM 0 HG2 LYS A 113 11.303 -5.240 -29.842 1.00 10.14 H new ATOM 0 HG3 LYS A 113 11.765 -5.878 -28.277 1.00 10.14 H new ATOM 0 HD2 LYS A 113 10.485 -7.619 -29.202 1.00 20.14 H new ATOM 0 HD3 LYS A 113 9.347 -6.815 -28.139 1.00 20.14 H new ATOM 0 HE2 LYS A 113 9.166 -5.447 -30.620 1.00 2.21 H new ATOM 0 HE3 LYS A 113 9.245 -7.149 -31.029 1.00 2.21 H new ATOM 0 HZ1 LYS A 113 7.217 -7.519 -30.201 1.00 51.14 H new ATOM 0 HZ2 LYS A 113 7.485 -6.583 -28.810 1.00 51.14 H new ATOM 0 HZ3 LYS A 113 7.016 -5.834 -30.260 1.00 51.14 H new ATOM 1819 N LYS A 114 10.585 -1.101 -28.139 1.00 74.13 N ATOM 1820 CA LYS A 114 10.590 0.143 -28.900 1.00 35.21 C ATOM 1821 C LYS A 114 11.442 1.201 -28.206 1.00 4.32 C ATOM 1822 O LYS A 114 11.192 2.399 -28.342 1.00 61.15 O ATOM 1823 CB LYS A 114 9.163 0.661 -29.083 1.00 64.24 C ATOM 1824 CG LYS A 114 8.362 -0.115 -30.114 1.00 45.21 C ATOM 1825 CD LYS A 114 6.873 0.159 -29.985 1.00 44.41 C ATOM 1826 CE LYS A 114 6.054 -0.790 -30.846 1.00 21.24 C ATOM 1827 NZ LYS A 114 4.701 -0.243 -31.144 1.00 54.10 N ATOM 0 H LYS A 114 9.942 -1.107 -27.347 1.00 74.13 H new ATOM 0 HA LYS A 114 11.022 -0.062 -29.879 1.00 35.21 H new ATOM 0 HB2 LYS A 114 8.644 0.619 -28.125 1.00 64.24 H new ATOM 0 HB3 LYS A 114 9.201 1.709 -29.379 1.00 64.24 H new ATOM 0 HG2 LYS A 114 8.697 0.155 -31.115 1.00 45.21 H new ATOM 0 HG3 LYS A 114 8.548 -1.182 -29.993 1.00 45.21 H new ATOM 0 HD2 LYS A 114 6.572 0.057 -28.942 1.00 44.41 H new ATOM 0 HD3 LYS A 114 6.665 1.188 -30.277 1.00 44.41 H new ATOM 0 HE2 LYS A 114 6.582 -0.980 -31.780 1.00 21.24 H new ATOM 0 HE3 LYS A 114 5.954 -1.748 -30.336 1.00 21.24 H new ATOM 0 HZ1 LYS A 114 4.175 -0.920 -31.733 1.00 54.10 H new ATOM 0 HZ2 LYS A 114 4.187 -0.085 -30.254 1.00 54.10 H new ATOM 0 HZ3 LYS A 114 4.796 0.659 -31.654 1.00 54.10 H new ATOM 1841 N ALA A 115 12.448 0.752 -27.463 1.00 64.14 N ATOM 1842 CA ALA A 115 13.337 1.661 -26.750 1.00 31.35 C ATOM 1843 C ALA A 115 14.752 1.600 -27.317 1.00 43.34 C ATOM 1844 O ALA A 115 15.724 1.869 -26.611 1.00 40.31 O ATOM 1845 CB ALA A 115 13.346 1.334 -25.264 1.00 32.15 C ATOM 0 H ALA A 115 12.668 -0.236 -27.339 1.00 64.14 H new ATOM 0 HA ALA A 115 12.963 2.676 -26.884 1.00 31.35 H new ATOM 0 HB1 ALA A 115 14.014 2.021 -24.744 1.00 32.15 H new ATOM 0 HB2 ALA A 115 12.338 1.436 -24.863 1.00 32.15 H new ATOM 0 HB3 ALA A 115 13.693 0.311 -25.119 1.00 32.15 H new ATOM 1851 N GLN A 116 14.859 1.245 -28.593 1.00 72.41 N ATOM 1852 CA GLN A 116 16.156 1.147 -29.251 1.00 12.55 C ATOM 1853 C GLN A 116 16.916 2.467 -29.156 1.00 62.33 C ATOM 1854 O GLN A 116 18.142 2.481 -29.048 1.00 45.43 O ATOM 1855 CB GLN A 116 15.979 0.753 -30.719 1.00 63.13 C ATOM 1856 CG GLN A 116 17.291 0.530 -31.452 1.00 75.35 C ATOM 1857 CD GLN A 116 17.163 0.725 -32.950 1.00 72.53 C ATOM 1858 OE1 GLN A 116 16.196 0.277 -33.566 1.00 44.15 O ATOM 1859 NE2 GLN A 116 18.141 1.397 -33.546 1.00 61.31 N ATOM 0 H GLN A 116 14.064 1.021 -29.191 1.00 72.41 H new ATOM 0 HA GLN A 116 16.735 0.377 -28.742 1.00 12.55 H new ATOM 0 HB2 GLN A 116 15.383 -0.158 -30.773 1.00 63.13 H new ATOM 0 HB3 GLN A 116 15.415 1.533 -31.230 1.00 63.13 H new ATOM 0 HG2 GLN A 116 18.042 1.218 -31.063 1.00 75.35 H new ATOM 0 HG3 GLN A 116 17.649 -0.480 -31.250 1.00 75.35 H new ATOM 0 HE21 GLN A 116 18.925 1.751 -32.997 1.00 61.31 H new ATOM 0 HE22 GLN A 116 18.109 1.559 -34.553 1.00 61.31 H new ATOM 1868 N GLN A 117 16.179 3.572 -29.197 1.00 1.33 N ATOM 1869 CA GLN A 117 16.784 4.896 -29.116 1.00 30.01 C ATOM 1870 C GLN A 117 17.673 5.014 -27.883 1.00 0.31 C ATOM 1871 O GLN A 117 18.653 5.758 -27.881 1.00 54.12 O ATOM 1872 CB GLN A 117 15.699 5.974 -29.083 1.00 54.41 C ATOM 1873 CG GLN A 117 15.309 6.488 -30.460 1.00 71.14 C ATOM 1874 CD GLN A 117 14.896 7.946 -30.444 1.00 14.13 C ATOM 1875 OE1 GLN A 117 15.452 8.768 -31.173 1.00 1.24 O ATOM 1876 NE2 GLN A 117 13.917 8.276 -29.611 1.00 61.43 N ATOM 0 H GLN A 117 15.163 3.577 -29.286 1.00 1.33 H new ATOM 0 HA GLN A 117 17.403 5.040 -30.002 1.00 30.01 H new ATOM 0 HB2 GLN A 117 14.814 5.572 -28.591 1.00 54.41 H new ATOM 0 HB3 GLN A 117 16.048 6.811 -28.478 1.00 54.41 H new ATOM 0 HG2 GLN A 117 16.149 6.360 -31.143 1.00 71.14 H new ATOM 0 HG3 GLN A 117 14.488 5.886 -30.849 1.00 71.14 H new ATOM 0 HE21 GLN A 117 13.484 7.562 -29.025 1.00 61.43 H new ATOM 0 HE22 GLN A 117 13.598 9.243 -29.557 1.00 61.43 H new ATOM 1885 N ALA A 118 17.323 4.276 -26.835 1.00 1.10 N ATOM 1886 CA ALA A 118 18.090 4.297 -25.595 1.00 22.34 C ATOM 1887 C ALA A 118 19.201 3.254 -25.621 1.00 71.34 C ATOM 1888 O ALA A 118 20.343 3.540 -25.261 1.00 22.33 O ATOM 1889 CB ALA A 118 17.173 4.066 -24.404 1.00 44.53 C ATOM 0 H ALA A 118 16.513 3.656 -26.820 1.00 1.10 H new ATOM 0 HA ALA A 118 18.552 5.279 -25.498 1.00 22.34 H new ATOM 0 HB1 ALA A 118 17.759 4.084 -23.485 1.00 44.53 H new ATOM 0 HB2 ALA A 118 16.418 4.851 -24.369 1.00 44.53 H new ATOM 0 HB3 ALA A 118 16.684 3.097 -24.504 1.00 44.53 H new ATOM 1895 N ALA A 119 18.860 2.042 -26.046 1.00 64.02 N ATOM 1896 CA ALA A 119 19.830 0.956 -26.118 1.00 23.41 C ATOM 1897 C ALA A 119 20.521 0.927 -27.478 1.00 43.04 C ATOM 1898 O ALA A 119 20.546 -0.104 -28.150 1.00 51.35 O ATOM 1899 CB ALA A 119 19.150 -0.377 -25.841 1.00 73.43 C ATOM 0 H ALA A 119 17.919 1.787 -26.346 1.00 64.02 H new ATOM 0 HA ALA A 119 20.591 1.129 -25.357 1.00 23.41 H new ATOM 0 HB1 ALA A 119 19.886 -1.179 -25.898 1.00 73.43 H new ATOM 0 HB2 ALA A 119 18.708 -0.360 -24.845 1.00 73.43 H new ATOM 0 HB3 ALA A 119 18.369 -0.548 -26.582 1.00 73.43 H new ATOM 1905 N ALA A 120 21.079 2.065 -27.876 1.00 11.35 N ATOM 1906 CA ALA A 120 21.771 2.169 -29.155 1.00 42.03 C ATOM 1907 C ALA A 120 23.079 2.939 -29.009 1.00 3.51 C ATOM 1908 O ALA A 120 24.109 2.542 -29.555 1.00 5.34 O ATOM 1909 CB ALA A 120 20.876 2.836 -30.187 1.00 4.31 C ATOM 0 H ALA A 120 21.066 2.928 -27.332 1.00 11.35 H new ATOM 0 HA ALA A 120 22.009 1.161 -29.495 1.00 42.03 H new ATOM 0 HB1 ALA A 120 21.406 2.907 -31.137 1.00 4.31 H new ATOM 0 HB2 ALA A 120 19.970 2.244 -30.320 1.00 4.31 H new ATOM 0 HB3 ALA A 120 20.609 3.836 -29.845 1.00 4.31 H new ATOM 1915 N ASP A 121 23.031 4.043 -28.271 1.00 53.13 N ATOM 1916 CA ASP A 121 24.213 4.869 -28.054 1.00 23.11 C ATOM 1917 C ASP A 121 24.888 4.515 -26.732 1.00 42.52 C ATOM 1918 O ASP A 121 24.620 5.133 -25.701 1.00 64.55 O ATOM 1919 CB ASP A 121 23.835 6.351 -28.066 1.00 4.55 C ATOM 1920 CG ASP A 121 23.521 6.856 -29.462 1.00 51.01 C ATOM 1921 OD1 ASP A 121 22.501 6.421 -30.034 1.00 25.21 O ATOM 1922 OD2 ASP A 121 24.297 7.686 -29.981 1.00 21.32 O ATOM 0 H ASP A 121 22.187 4.386 -27.813 1.00 53.13 H new ATOM 0 HA ASP A 121 24.916 4.674 -28.864 1.00 23.11 H new ATOM 0 HB2 ASP A 121 22.969 6.508 -27.423 1.00 4.55 H new ATOM 0 HB3 ASP A 121 24.654 6.936 -27.647 1.00 4.55 H new ATOM 1927 N THR A 122 25.765 3.517 -26.770 1.00 54.51 N ATOM 1928 CA THR A 122 26.477 3.080 -25.575 1.00 31.45 C ATOM 1929 C THR A 122 27.726 2.285 -25.941 1.00 60.45 C ATOM 1930 O THR A 122 27.779 1.638 -26.986 1.00 41.12 O ATOM 1931 CB THR A 122 25.578 2.217 -24.671 1.00 51.22 C ATOM 1932 OG1 THR A 122 24.232 2.232 -25.160 1.00 54.24 O ATOM 1933 CG2 THR A 122 25.608 2.724 -23.237 1.00 71.23 C ATOM 0 H THR A 122 25.999 2.996 -27.615 1.00 54.51 H new ATOM 0 HA THR A 122 26.768 3.979 -25.032 1.00 31.45 H new ATOM 0 HB THR A 122 25.958 1.195 -24.687 1.00 51.22 H new ATOM 0 HG1 THR A 122 23.667 1.679 -24.580 1.00 54.24 H new ATOM 0 HG21 THR A 122 24.966 2.099 -22.617 1.00 71.23 H new ATOM 0 HG22 THR A 122 26.629 2.683 -22.858 1.00 71.23 H new ATOM 0 HG23 THR A 122 25.251 3.753 -23.207 1.00 71.23 H new ATOM 1941 N GLY A 123 28.729 2.336 -25.070 1.00 61.34 N ATOM 1942 CA GLY A 123 29.964 1.614 -25.318 1.00 12.14 C ATOM 1943 C GLY A 123 29.890 0.167 -24.875 1.00 64.21 C ATOM 1944 O GLY A 123 30.691 -0.281 -24.057 1.00 34.10 O ATOM 0 H GLY A 123 28.709 2.864 -24.197 1.00 61.34 H new ATOM 0 HA2 GLY A 123 30.196 1.653 -26.382 1.00 12.14 H new ATOM 0 HA3 GLY A 123 30.782 2.109 -24.795 1.00 12.14 H new ATOM 1948 N ASN A 124 28.922 -0.567 -25.415 1.00 2.24 N ATOM 1949 CA ASN A 124 28.743 -1.972 -25.069 1.00 73.31 C ATOM 1950 C ASN A 124 29.835 -2.831 -25.700 1.00 20.03 C ATOM 1951 O ASN A 124 30.701 -2.326 -26.412 1.00 73.32 O ATOM 1952 CB ASN A 124 27.366 -2.461 -25.525 1.00 75.35 C ATOM 1953 CG ASN A 124 27.273 -2.601 -27.031 1.00 3.30 C ATOM 1954 OD1 ASN A 124 28.071 -2.025 -27.771 1.00 52.34 O ATOM 1955 ND2 ASN A 124 26.294 -3.368 -27.495 1.00 64.24 N ATOM 0 H ASN A 124 28.249 -0.211 -26.094 1.00 2.24 H new ATOM 0 HA ASN A 124 28.813 -2.065 -23.985 1.00 73.31 H new ATOM 0 HB2 ASN A 124 27.152 -3.423 -25.059 1.00 75.35 H new ATOM 0 HB3 ASN A 124 26.603 -1.763 -25.180 1.00 75.35 H new ATOM 0 HD21 ASN A 124 26.181 -3.498 -28.500 1.00 64.24 H new ATOM 0 HD22 ASN A 124 25.655 -3.827 -26.846 1.00 64.24 H new ATOM 1962 N ASN A 125 29.785 -4.132 -25.433 1.00 23.15 N ATOM 1963 CA ASN A 125 30.770 -5.062 -25.976 1.00 22.00 C ATOM 1964 C ASN A 125 30.088 -6.293 -26.565 1.00 13.13 C ATOM 1965 O ASN A 125 29.171 -6.855 -25.966 1.00 33.14 O ATOM 1966 CB ASN A 125 31.756 -5.485 -24.885 1.00 11.13 C ATOM 1967 CG ASN A 125 33.199 -5.234 -25.283 1.00 25.01 C ATOM 1968 OD1 ASN A 125 33.638 -4.089 -25.379 1.00 42.52 O ATOM 1969 ND2 ASN A 125 33.942 -6.310 -25.517 1.00 53.41 N ATOM 0 H ASN A 125 29.074 -4.566 -24.845 1.00 23.15 H new ATOM 0 HA ASN A 125 31.314 -4.554 -26.772 1.00 22.00 H new ATOM 0 HB2 ASN A 125 31.535 -4.940 -23.967 1.00 11.13 H new ATOM 0 HB3 ASN A 125 31.621 -6.544 -24.667 1.00 11.13 H new ATOM 0 HD21 ASN A 125 34.920 -6.205 -25.789 1.00 53.41 H new ATOM 0 HD22 ASN A 125 33.535 -7.241 -25.425 1.00 53.41 H new ATOM 1976 N SER A 126 30.543 -6.705 -27.744 1.00 31.44 N ATOM 1977 CA SER A 126 29.976 -7.868 -28.418 1.00 65.42 C ATOM 1978 C SER A 126 31.072 -8.712 -29.061 1.00 21.34 C ATOM 1979 O SER A 126 31.830 -8.226 -29.900 1.00 55.25 O ATOM 1980 CB SER A 126 28.966 -7.427 -29.479 1.00 21.33 C ATOM 1981 OG SER A 126 28.474 -8.538 -30.208 1.00 13.31 O ATOM 0 H SER A 126 31.302 -6.251 -28.252 1.00 31.44 H new ATOM 0 HA SER A 126 29.465 -8.476 -27.672 1.00 65.42 H new ATOM 0 HB2 SER A 126 28.137 -6.905 -29.001 1.00 21.33 H new ATOM 0 HB3 SER A 126 29.437 -6.720 -30.162 1.00 21.33 H new ATOM 0 HG SER A 126 27.829 -8.230 -30.879 1.00 13.31 H new ATOM 1987 N GLN A 127 31.148 -9.977 -28.662 1.00 5.13 N ATOM 1988 CA GLN A 127 32.150 -10.889 -29.200 1.00 54.13 C ATOM 1989 C GLN A 127 31.915 -12.312 -28.703 1.00 52.54 C ATOM 1990 O GLN A 127 31.941 -12.572 -27.499 1.00 0.35 O ATOM 1991 CB GLN A 127 33.554 -10.424 -28.808 1.00 61.42 C ATOM 1992 CG GLN A 127 34.659 -11.058 -29.637 1.00 61.41 C ATOM 1993 CD GLN A 127 35.969 -11.164 -28.881 1.00 1.30 C ATOM 1994 OE1 GLN A 127 35.988 -11.196 -27.650 1.00 11.41 O ATOM 1995 NE2 GLN A 127 37.074 -11.219 -29.616 1.00 44.24 N ATOM 0 H GLN A 127 30.528 -10.394 -27.968 1.00 5.13 H new ATOM 0 HA GLN A 127 32.063 -10.885 -30.287 1.00 54.13 H new ATOM 0 HB2 GLN A 127 33.611 -9.340 -28.911 1.00 61.42 H new ATOM 0 HB3 GLN A 127 33.723 -10.654 -27.756 1.00 61.42 H new ATOM 0 HG2 GLN A 127 34.345 -12.053 -29.954 1.00 61.41 H new ATOM 0 HG3 GLN A 127 34.813 -10.469 -30.541 1.00 61.41 H new ATOM 0 HE21 GLN A 127 37.012 -11.189 -30.634 1.00 44.24 H new ATOM 0 HE22 GLN A 127 37.985 -11.291 -29.163 1.00 44.24 H new ATOM 2004 N VAL A 128 31.686 -13.229 -29.636 1.00 1.24 N ATOM 2005 CA VAL A 128 31.447 -14.626 -29.293 1.00 30.15 C ATOM 2006 C VAL A 128 31.629 -15.529 -30.508 1.00 15.24 C ATOM 2007 O VAL A 128 31.311 -15.145 -31.634 1.00 44.43 O ATOM 2008 CB VAL A 128 30.031 -14.830 -28.723 1.00 13.24 C ATOM 2009 CG1 VAL A 128 28.980 -14.438 -29.752 1.00 74.21 C ATOM 2010 CG2 VAL A 128 29.839 -16.270 -28.275 1.00 73.02 C ATOM 0 H VAL A 128 31.661 -13.030 -30.636 1.00 1.24 H new ATOM 0 HA VAL A 128 32.179 -14.894 -28.531 1.00 30.15 H new ATOM 0 HB VAL A 128 29.912 -14.185 -27.853 1.00 13.24 H new ATOM 0 HG11 VAL A 128 27.986 -14.589 -29.332 1.00 74.21 H new ATOM 0 HG12 VAL A 128 29.106 -13.389 -30.019 1.00 74.21 H new ATOM 0 HG13 VAL A 128 29.095 -15.055 -30.643 1.00 74.21 H new ATOM 0 HG21 VAL A 128 28.833 -16.396 -27.875 1.00 73.02 H new ATOM 0 HG22 VAL A 128 29.977 -16.937 -29.126 1.00 73.02 H new ATOM 0 HG23 VAL A 128 30.569 -16.511 -27.502 1.00 73.02 H new ATOM 2020 N SER A 129 32.143 -16.732 -30.273 1.00 32.23 N ATOM 2021 CA SER A 129 32.371 -17.690 -31.349 1.00 1.11 C ATOM 2022 C SER A 129 31.313 -18.789 -31.331 1.00 50.54 C ATOM 2023 O SER A 129 30.790 -19.144 -30.275 1.00 41.50 O ATOM 2024 CB SER A 129 33.766 -18.307 -31.224 1.00 63.21 C ATOM 2025 OG SER A 129 34.148 -18.434 -29.866 1.00 43.42 O ATOM 0 H SER A 129 32.410 -17.067 -29.347 1.00 32.23 H new ATOM 0 HA SER A 129 32.301 -17.157 -32.297 1.00 1.11 H new ATOM 0 HB2 SER A 129 33.778 -19.287 -31.701 1.00 63.21 H new ATOM 0 HB3 SER A 129 34.490 -17.687 -31.752 1.00 63.21 H new ATOM 0 HG SER A 129 35.042 -18.832 -29.813 1.00 43.42 H new ATOM 2031 N GLN A 130 31.003 -19.322 -32.508 1.00 43.30 N ATOM 2032 CA GLN A 130 30.006 -20.379 -32.628 1.00 62.31 C ATOM 2033 C GLN A 130 30.599 -21.731 -32.246 1.00 23.50 C ATOM 2034 O GLN A 130 31.333 -22.341 -33.024 1.00 63.13 O ATOM 2035 CB GLN A 130 29.460 -20.434 -34.056 1.00 64.24 C ATOM 2036 CG GLN A 130 28.874 -19.115 -34.534 1.00 13.11 C ATOM 2037 CD GLN A 130 28.360 -19.187 -35.959 1.00 71.53 C ATOM 2038 OE1 GLN A 130 27.560 -20.059 -36.298 1.00 1.13 O ATOM 2039 NE2 GLN A 130 28.818 -18.269 -36.801 1.00 51.41 N ATOM 0 H GLN A 130 31.427 -19.040 -33.391 1.00 43.30 H new ATOM 0 HA GLN A 130 29.189 -20.154 -31.942 1.00 62.31 H new ATOM 0 HB2 GLN A 130 30.262 -20.732 -34.732 1.00 64.24 H new ATOM 0 HB3 GLN A 130 28.692 -21.205 -34.113 1.00 64.24 H new ATOM 0 HG2 GLN A 130 28.059 -18.823 -33.872 1.00 13.11 H new ATOM 0 HG3 GLN A 130 29.635 -18.338 -34.465 1.00 13.11 H new ATOM 0 HE21 GLN A 130 29.480 -17.565 -36.477 1.00 51.41 H new ATOM 0 HE22 GLN A 130 28.507 -18.268 -37.773 1.00 51.41 H new ATOM 2048 N ASN A 131 30.276 -22.196 -31.043 1.00 42.44 N ATOM 2049 CA ASN A 131 30.778 -23.475 -30.558 1.00 63.34 C ATOM 2050 C ASN A 131 29.670 -24.524 -30.542 1.00 3.14 C ATOM 2051 O ASN A 131 28.595 -24.298 -29.985 1.00 22.25 O ATOM 2052 CB ASN A 131 31.365 -23.318 -29.153 1.00 41.42 C ATOM 2053 CG ASN A 131 32.470 -24.316 -28.873 1.00 72.32 C ATOM 2054 OD1 ASN A 131 32.881 -25.070 -29.756 1.00 4.21 O ATOM 2055 ND2 ASN A 131 32.957 -24.328 -27.638 1.00 54.05 N ATOM 0 H ASN A 131 29.669 -21.705 -30.387 1.00 42.44 H new ATOM 0 HA ASN A 131 31.562 -23.809 -31.237 1.00 63.34 H new ATOM 0 HB2 ASN A 131 31.755 -22.307 -29.036 1.00 41.42 H new ATOM 0 HB3 ASN A 131 30.572 -23.442 -28.415 1.00 41.42 H new ATOM 0 HD21 ASN A 131 33.701 -24.980 -27.390 1.00 54.05 H new ATOM 0 HD22 ASN A 131 32.587 -23.686 -26.938 1.00 54.05 H new ATOM 2062 N TYR A 132 29.939 -25.670 -31.156 1.00 22.21 N ATOM 2063 CA TYR A 132 28.963 -26.753 -31.215 1.00 75.10 C ATOM 2064 C TYR A 132 29.611 -28.088 -30.860 1.00 24.41 C ATOM 2065 O TYR A 132 28.923 -29.082 -30.636 1.00 62.02 O ATOM 2066 CB TYR A 132 28.340 -26.831 -32.610 1.00 1.44 C ATOM 2067 CG TYR A 132 26.830 -26.773 -32.602 1.00 42.55 C ATOM 2068 CD1 TYR A 132 26.162 -25.578 -32.362 1.00 52.02 C ATOM 2069 CD2 TYR A 132 26.069 -27.912 -32.834 1.00 14.44 C ATOM 2070 CE1 TYR A 132 24.781 -25.520 -32.353 1.00 73.12 C ATOM 2071 CE2 TYR A 132 24.689 -27.864 -32.829 1.00 52.24 C ATOM 2072 CZ TYR A 132 24.050 -26.665 -32.588 1.00 62.15 C ATOM 2073 OH TYR A 132 22.675 -26.612 -32.580 1.00 31.43 O ATOM 0 H TYR A 132 30.824 -25.874 -31.620 1.00 22.21 H new ATOM 0 HA TYR A 132 28.180 -26.543 -30.486 1.00 75.10 H new ATOM 0 HB2 TYR A 132 28.724 -26.011 -33.217 1.00 1.44 H new ATOM 0 HB3 TYR A 132 28.657 -27.757 -33.089 1.00 1.44 H new ATOM 0 HD1 TYR A 132 26.732 -24.679 -32.179 1.00 52.02 H new ATOM 0 HD2 TYR A 132 26.566 -28.852 -33.022 1.00 14.44 H new ATOM 0 HE1 TYR A 132 24.278 -24.583 -32.163 1.00 73.12 H new ATOM 0 HE2 TYR A 132 24.113 -28.759 -33.013 1.00 52.24 H new ATOM 0 HH TYR A 132 22.312 -27.504 -32.764 1.00 31.43 H new TER 2083 TYR A 132 HETATM 2084 C1 MYR A 1 1.399 9.016 8.051 1.00 71.30 C HETATM 2085 O1 MYR A 1 1.219 9.861 8.927 1.00 12.22 O HETATM 2086 C2 MYR A 1 0.903 9.318 6.636 1.00 54.13 C HETATM 2087 C3 MYR A 1 -0.178 8.344 6.112 1.00 73.13 C HETATM 2088 C4 MYR A 1 -0.652 8.713 4.694 1.00 63.34 C HETATM 2089 C5 MYR A 1 -1.043 7.471 3.871 1.00 72.15 C HETATM 2090 C6 MYR A 1 -1.300 7.812 2.391 1.00 32.34 C HETATM 2091 C7 MYR A 1 -2.609 7.189 1.870 1.00 42.22 C HETATM 2092 C8 MYR A 1 -2.375 5.834 1.175 1.00 55.15 C HETATM 2093 C9 MYR A 1 -1.955 4.735 2.169 1.00 41.40 C HETATM 2094 C10 MYR A 1 -2.484 3.344 1.759 1.00 43.44 C HETATM 2095 C11 MYR A 1 -1.783 2.736 0.528 1.00 32.21 C HETATM 2096 C12 MYR A 1 -1.739 1.193 0.519 1.00 4.14 C HETATM 2097 C13 MYR A 1 -0.468 0.650 -0.156 1.00 33.10 C HETATM 2098 C14 MYR A 1 -0.452 -0.885 -0.191 1.00 14.12 C HETATM 0 H143 MYR A 1 -0.491 -1.273 0.827 1.00 14.12 H new HETATM 0 H142 MYR A 1 -1.316 -1.245 -0.749 1.00 14.12 H new HETATM 0 H141 MYR A 1 0.462 -1.228 -0.676 1.00 14.12 H new HETATM 0 H132 MYR A 1 -0.403 1.037 -1.173 1.00 33.10 H new HETATM 0 H131 MYR A 1 0.410 1.011 0.380 1.00 33.10 H new HETATM 0 H122 MYR A 1 -1.790 0.824 1.543 1.00 4.14 H new HETATM 0 H121 MYR A 1 -2.617 0.810 -0.002 1.00 4.14 H new HETATM 0 H112 MYR A 1 -2.294 3.078 -0.372 1.00 32.21 H new HETATM 0 H111 MYR A 1 -0.763 3.117 0.480 1.00 32.21 H new HETATM 0 H102 MYR A 1 -2.369 2.662 2.601 1.00 43.44 H new HETATM 0 H101 MYR A 1 -3.552 3.420 1.554 1.00 43.44 H new HETATM 0 H92 MYR A 1 -0.867 4.703 2.235 1.00 41.40 H new HETATM 0 H91 MYR A 1 -2.327 4.985 3.163 1.00 41.40 H new HETATM 0 H82 MYR A 1 -3.287 5.528 0.662 1.00 55.15 H new HETATM 0 H81 MYR A 1 -1.603 5.947 0.413 1.00 55.15 H new HETATM 0 H72 MYR A 1 -3.301 7.054 2.702 1.00 42.22 H new HETATM 0 H71 MYR A 1 -3.083 7.877 1.170 1.00 42.22 H new HETATM 0 H62 MYR A 1 -1.342 8.895 2.271 1.00 32.34 H new HETATM 0 H61 MYR A 1 -0.465 7.456 1.788 1.00 32.34 H new HETATM 0 H52 MYR A 1 -0.249 6.728 3.938 1.00 72.15 H new HETATM 0 H51 MYR A 1 -1.938 7.020 4.299 1.00 72.15 H new HETATM 0 H42 MYR A 1 -1.507 9.386 4.762 1.00 63.34 H new HETATM 0 H41 MYR A 1 0.140 9.255 4.177 1.00 63.34 H new HETATM 0 H32 MYR A 1 0.220 7.329 6.108 1.00 73.13 H new HETATM 0 H31 MYR A 1 -1.030 8.349 6.792 1.00 73.13 H new HETATM 0 H22 MYR A 1 0.502 10.331 6.614 1.00 54.13 H new HETATM 0 H21 MYR A 1 1.754 9.297 5.955 1.00 54.13 H new