USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 833 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 132 SER OG : rot -65:sc= -1.01 USER MOD Set 1.2: A 136 GLN :FLIP amide:sc= 0.617 F(o=-3.4,f=-0.39) USER MOD Single : A 31 SER OG : rot 30:sc= 0.311 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot -166:sc= 1.97 USER MOD Single : A 43 THR OG1 : rot 45:sc= -1.02! USER MOD Single : A 47 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -8:sc= 0.463! USER MOD Single : A 53 ASN :FLIP amide:sc= -1.22 F(o=-2.3!,f=-1.2) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN :FLIP amide:sc= -2.04 F(o=-8.1!,f=-2) USER MOD Single : A 57 MET CE :methyl 139:sc= -0.106 (180deg=-0.568) USER MOD Single : A 59 SER OG : rot 180:sc= 0.0715 USER MOD Single : A 60 HIS : no HE2:sc= -0.662 X(o=-0.66,f=-1.1) USER MOD Single : A 61 SER OG : rot -30:sc= 0.21 USER MOD Single : A 68 LYS NZ :NH3+ -150:sc= -2.42 (180deg=-4.03!) USER MOD Single : A 69 ASN : amide:sc= 1.04 K(o=1,f=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 29:sc= 0.814 USER MOD Single : A 74 CYS SG : rot 16:sc= -5.65! USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 0:sc= -0.805 USER MOD Single : A 80 SER OG : rot -71:sc= 1.25 USER MOD Single : A 82 GLN :FLIP amide:sc= -0.927 F(o=-2.6!,f=-0.93) USER MOD Single : A 83 GLN :FLIP amide:sc= -4.51! C(o=-7.7!,f=-4.5!) USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN :FLIP amide:sc= -2.79 F(o=-11!,f=-2.8) USER MOD Single : A 87 LYS NZ :NH3+ 168:sc= -0.0843 (180deg=-0.319) USER MOD Single : A 95 ASN :FLIP amide:sc= -1.12 F(o=-4!,f=-1.1) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 ASN : amide:sc= 0.264 X(o=0.26,f=0) USER MOD Single : A 100 ASN : amide:sc= -9.8! C(o=-9.8!,f=-11!) USER MOD Single : A 105 GLN :FLIP amide:sc= -2.77! C(o=-10!,f=-2.8!) USER MOD Single : A 107 CYS SG : rot 180:sc= -2.55! USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= -0.456 USER MOD Single : A 118 THR OG1 : rot 39:sc= 0.701 USER MOD Single : A 119 GLN :FLIP amide:sc= -0.162 F(o=-2!,f=-0.16) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 169:sc= 0.62 (180deg=0.558) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 63:sc= 1.26 USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 31 8.800 -4.255 2.979 1.00 3.88 N ATOM 2 CA SER A 31 9.189 -4.955 4.198 1.00 3.46 C ATOM 3 C SER A 31 8.938 -6.455 4.073 1.00 2.69 C ATOM 4 O SER A 31 7.813 -6.886 3.816 1.00 2.52 O ATOM 5 CB SER A 31 8.420 -4.397 5.398 1.00 4.00 C ATOM 6 OG SER A 31 7.023 -4.564 5.230 1.00 4.47 O ATOM 0 HA SER A 31 10.257 -4.797 4.351 1.00 3.46 H new ATOM 0 HB2 SER A 31 8.743 -4.902 6.308 1.00 4.00 H new ATOM 0 HB3 SER A 31 8.651 -3.339 5.522 1.00 4.00 H new ATOM 0 HG SER A 31 6.852 -5.360 4.685 1.00 4.47 H new ATOM 12 N GLY A 32 9.993 -7.244 4.254 1.00 2.50 N ATOM 13 CA GLY A 32 9.873 -8.686 4.160 1.00 1.92 C ATOM 14 C GLY A 32 9.660 -9.157 2.738 1.00 1.35 C ATOM 15 O GLY A 32 10.569 -9.089 1.909 1.00 2.24 O ATOM 0 H GLY A 32 10.932 -6.907 4.465 1.00 2.50 H new ATOM 0 HA2 GLY A 32 10.774 -9.150 4.562 1.00 1.92 H new ATOM 0 HA3 GLY A 32 9.040 -9.019 4.779 1.00 1.92 H new ATOM 19 N ALA A 33 8.456 -9.636 2.455 1.00 0.62 N ATOM 20 CA ALA A 33 8.115 -10.123 1.126 1.00 1.21 C ATOM 21 C ALA A 33 6.717 -9.678 0.720 1.00 1.16 C ATOM 22 O ALA A 33 6.132 -10.212 -0.223 1.00 1.95 O ATOM 23 CB ALA A 33 8.222 -11.637 1.084 1.00 2.01 C ATOM 0 H ALA A 33 7.696 -9.698 3.132 1.00 0.62 H new ATOM 0 HA ALA A 33 8.822 -9.697 0.414 1.00 1.21 H new ATOM 0 HB1 ALA A 33 7.965 -11.992 0.086 1.00 2.01 H new ATOM 0 HB2 ALA A 33 9.242 -11.936 1.324 1.00 2.01 H new ATOM 0 HB3 ALA A 33 7.536 -12.071 1.811 1.00 2.01 H new ATOM 29 N ILE A 34 6.187 -8.700 1.450 1.00 0.39 N ATOM 30 CA ILE A 34 4.861 -8.159 1.179 1.00 0.25 C ATOM 31 C ILE A 34 3.765 -9.184 1.439 1.00 0.24 C ATOM 32 O ILE A 34 3.509 -10.065 0.619 1.00 0.25 O ATOM 33 CB ILE A 34 4.732 -7.647 -0.271 1.00 0.25 C ATOM 34 CG1 ILE A 34 5.754 -6.540 -0.544 1.00 0.29 C ATOM 35 CG2 ILE A 34 3.318 -7.149 -0.531 1.00 0.32 C ATOM 36 CD1 ILE A 34 5.626 -5.351 0.383 1.00 0.35 C ATOM 0 H ILE A 34 6.662 -8.264 2.240 1.00 0.39 H new ATOM 0 HA ILE A 34 4.736 -7.321 1.865 1.00 0.25 H new ATOM 0 HB ILE A 34 4.937 -8.474 -0.951 1.00 0.25 H new ATOM 0 HG12 ILE A 34 6.758 -6.954 -0.452 1.00 0.29 H new ATOM 0 HG13 ILE A 34 5.642 -6.200 -1.574 1.00 0.29 H new ATOM 0 HG21 ILE A 34 3.241 -6.791 -1.558 1.00 0.32 H new ATOM 0 HG22 ILE A 34 2.611 -7.964 -0.377 1.00 0.32 H new ATOM 0 HG23 ILE A 34 3.087 -6.335 0.156 1.00 0.32 H new ATOM 0 HD11 ILE A 34 6.383 -4.609 0.129 1.00 0.35 H new ATOM 0 HD12 ILE A 34 4.635 -4.911 0.275 1.00 0.35 H new ATOM 0 HD13 ILE A 34 5.768 -5.676 1.414 1.00 0.35 H new ATOM 48 N THR A 35 3.124 -9.056 2.591 1.00 0.25 N ATOM 49 CA THR A 35 2.033 -9.939 2.970 1.00 0.26 C ATOM 50 C THR A 35 0.825 -9.104 3.366 1.00 0.23 C ATOM 51 O THR A 35 0.874 -7.877 3.290 1.00 0.31 O ATOM 52 CB THR A 35 2.424 -10.856 4.145 1.00 0.33 C ATOM 53 OG1 THR A 35 2.751 -10.068 5.295 1.00 0.36 O ATOM 54 CG2 THR A 35 3.609 -11.735 3.775 1.00 0.35 C ATOM 0 H THR A 35 3.344 -8.342 3.285 1.00 0.25 H new ATOM 0 HA THR A 35 1.797 -10.570 2.113 1.00 0.26 H new ATOM 0 HB THR A 35 1.573 -11.497 4.374 1.00 0.33 H new ATOM 0 HG1 THR A 35 2.997 -10.659 6.037 1.00 0.36 H new ATOM 0 HG21 THR A 35 3.866 -12.373 4.620 1.00 0.35 H new ATOM 0 HG22 THR A 35 3.348 -12.356 2.918 1.00 0.35 H new ATOM 0 HG23 THR A 35 4.463 -11.107 3.521 1.00 0.35 H new ATOM 62 N LYS A 36 -0.258 -9.749 3.777 1.00 0.18 N ATOM 63 CA LYS A 36 -1.443 -9.007 4.180 1.00 0.15 C ATOM 64 C LYS A 36 -1.127 -8.137 5.385 1.00 0.12 C ATOM 65 O LYS A 36 -1.629 -7.027 5.504 1.00 0.14 O ATOM 66 CB LYS A 36 -2.611 -9.946 4.479 1.00 0.20 C ATOM 67 CG LYS A 36 -3.506 -9.485 5.627 1.00 0.27 C ATOM 68 CD LYS A 36 -3.042 -10.041 6.968 1.00 0.61 C ATOM 69 CE LYS A 36 -3.276 -11.541 7.064 1.00 0.57 C ATOM 70 NZ LYS A 36 -2.760 -12.100 8.344 1.00 0.99 N ATOM 0 H LYS A 36 -0.341 -10.764 3.840 1.00 0.18 H new ATOM 0 HA LYS A 36 -1.743 -8.365 3.352 1.00 0.15 H new ATOM 0 HB2 LYS A 36 -3.218 -10.051 3.580 1.00 0.20 H new ATOM 0 HB3 LYS A 36 -2.217 -10.935 4.715 1.00 0.20 H new ATOM 0 HG2 LYS A 36 -3.512 -8.396 5.668 1.00 0.27 H new ATOM 0 HG3 LYS A 36 -4.532 -9.802 5.438 1.00 0.27 H new ATOM 0 HD2 LYS A 36 -1.982 -9.828 7.103 1.00 0.61 H new ATOM 0 HD3 LYS A 36 -3.574 -9.537 7.775 1.00 0.61 H new ATOM 0 HE2 LYS A 36 -4.343 -11.749 6.981 1.00 0.57 H new ATOM 0 HE3 LYS A 36 -2.788 -12.039 6.227 1.00 0.57 H new ATOM 0 HZ1 LYS A 36 -2.938 -13.124 8.372 1.00 0.99 H new ATOM 0 HZ2 LYS A 36 -1.737 -11.924 8.412 1.00 0.99 H new ATOM 0 HZ3 LYS A 36 -3.244 -11.642 9.143 1.00 0.99 H new ATOM 84 N GLY A 37 -0.309 -8.665 6.283 1.00 0.13 N ATOM 85 CA GLY A 37 0.086 -7.910 7.458 1.00 0.14 C ATOM 86 C GLY A 37 0.753 -6.606 7.071 1.00 0.14 C ATOM 87 O GLY A 37 0.436 -5.547 7.614 1.00 0.15 O ATOM 0 H GLY A 37 0.089 -9.602 6.221 1.00 0.13 H new ATOM 0 HA2 GLY A 37 -0.790 -7.705 8.074 1.00 0.14 H new ATOM 0 HA3 GLY A 37 0.769 -8.505 8.064 1.00 0.14 H new ATOM 91 N VAL A 38 1.682 -6.695 6.126 1.00 0.15 N ATOM 92 CA VAL A 38 2.394 -5.526 5.626 1.00 0.16 C ATOM 93 C VAL A 38 1.419 -4.605 4.910 1.00 0.15 C ATOM 94 O VAL A 38 1.502 -3.380 5.006 1.00 0.16 O ATOM 95 CB VAL A 38 3.519 -5.939 4.654 1.00 0.21 C ATOM 96 CG1 VAL A 38 4.159 -4.720 4.003 1.00 1.11 C ATOM 97 CG2 VAL A 38 4.564 -6.775 5.376 1.00 1.28 C ATOM 0 H VAL A 38 1.961 -7.573 5.688 1.00 0.15 H new ATOM 0 HA VAL A 38 2.842 -5.007 6.473 1.00 0.16 H new ATOM 0 HB VAL A 38 3.077 -6.544 3.863 1.00 0.21 H new ATOM 0 HG11 VAL A 38 4.948 -5.043 3.324 1.00 1.11 H new ATOM 0 HG12 VAL A 38 3.403 -4.167 3.445 1.00 1.11 H new ATOM 0 HG13 VAL A 38 4.584 -4.077 4.774 1.00 1.11 H new ATOM 0 HG21 VAL A 38 5.350 -7.058 4.676 1.00 1.28 H new ATOM 0 HG22 VAL A 38 4.995 -6.194 6.191 1.00 1.28 H new ATOM 0 HG23 VAL A 38 4.096 -7.673 5.779 1.00 1.28 H new ATOM 107 N VAL A 39 0.495 -5.225 4.190 1.00 0.14 N ATOM 108 CA VAL A 39 -0.526 -4.505 3.451 1.00 0.15 C ATOM 109 C VAL A 39 -1.409 -3.703 4.407 1.00 0.14 C ATOM 110 O VAL A 39 -1.742 -2.553 4.143 1.00 0.17 O ATOM 111 CB VAL A 39 -1.377 -5.489 2.610 1.00 0.15 C ATOM 112 CG1 VAL A 39 -2.856 -5.131 2.633 1.00 0.15 C ATOM 113 CG2 VAL A 39 -0.861 -5.535 1.181 1.00 0.17 C ATOM 0 H VAL A 39 0.434 -6.239 4.103 1.00 0.14 H new ATOM 0 HA VAL A 39 -0.039 -3.807 2.770 1.00 0.15 H new ATOM 0 HB VAL A 39 -1.279 -6.477 3.059 1.00 0.15 H new ATOM 0 HG11 VAL A 39 -3.413 -5.848 2.030 1.00 0.15 H new ATOM 0 HG12 VAL A 39 -3.221 -5.159 3.660 1.00 0.15 H new ATOM 0 HG13 VAL A 39 -2.994 -4.129 2.226 1.00 0.15 H new ATOM 0 HG21 VAL A 39 -1.466 -6.230 0.598 1.00 0.17 H new ATOM 0 HG22 VAL A 39 -0.923 -4.540 0.739 1.00 0.17 H new ATOM 0 HG23 VAL A 39 0.177 -5.868 1.179 1.00 0.17 H new ATOM 123 N LEU A 40 -1.770 -4.317 5.524 1.00 0.13 N ATOM 124 CA LEU A 40 -2.596 -3.659 6.522 1.00 0.14 C ATOM 125 C LEU A 40 -1.894 -2.419 7.061 1.00 0.14 C ATOM 126 O LEU A 40 -2.491 -1.347 7.149 1.00 0.15 O ATOM 127 CB LEU A 40 -2.933 -4.633 7.648 1.00 0.15 C ATOM 128 CG LEU A 40 -4.050 -5.621 7.309 1.00 0.16 C ATOM 129 CD1 LEU A 40 -3.976 -6.848 8.202 1.00 0.17 C ATOM 130 CD2 LEU A 40 -5.404 -4.946 7.445 1.00 0.21 C ATOM 0 H LEU A 40 -1.502 -5.272 5.761 1.00 0.13 H new ATOM 0 HA LEU A 40 -3.528 -3.340 6.056 1.00 0.14 H new ATOM 0 HB2 LEU A 40 -2.035 -5.193 7.910 1.00 0.15 H new ATOM 0 HB3 LEU A 40 -3.223 -4.064 8.531 1.00 0.15 H new ATOM 0 HG LEU A 40 -3.921 -5.946 6.277 1.00 0.16 H new ATOM 0 HD11 LEU A 40 -4.780 -7.536 7.942 1.00 0.17 H new ATOM 0 HD12 LEU A 40 -3.015 -7.343 8.061 1.00 0.17 H new ATOM 0 HD13 LEU A 40 -4.079 -6.546 9.244 1.00 0.17 H new ATOM 0 HD21 LEU A 40 -6.192 -5.659 7.201 1.00 0.21 H new ATOM 0 HD22 LEU A 40 -5.535 -4.596 8.469 1.00 0.21 H new ATOM 0 HD23 LEU A 40 -5.458 -4.098 6.762 1.00 0.21 H new ATOM 142 N ASP A 41 -0.626 -2.575 7.431 1.00 0.16 N ATOM 143 CA ASP A 41 0.163 -1.455 7.931 1.00 0.18 C ATOM 144 C ASP A 41 0.199 -0.331 6.899 1.00 0.18 C ATOM 145 O ASP A 41 0.327 0.843 7.243 1.00 0.20 O ATOM 146 CB ASP A 41 1.586 -1.909 8.262 1.00 0.18 C ATOM 147 CG ASP A 41 2.423 -0.796 8.861 1.00 0.20 C ATOM 148 OD1 ASP A 41 3.047 -0.039 8.088 1.00 0.21 O ATOM 149 OD2 ASP A 41 2.454 -0.681 10.105 1.00 0.24 O ATOM 0 H ASP A 41 -0.125 -3.463 7.394 1.00 0.16 H new ATOM 0 HA ASP A 41 -0.305 -1.082 8.842 1.00 0.18 H new ATOM 0 HB2 ASP A 41 1.545 -2.745 8.960 1.00 0.18 H new ATOM 0 HB3 ASP A 41 2.068 -2.275 7.355 1.00 0.18 H new ATOM 154 N SER A 42 0.092 -0.711 5.627 1.00 0.17 N ATOM 155 CA SER A 42 0.095 0.247 4.527 1.00 0.19 C ATOM 156 C SER A 42 -1.270 0.915 4.382 1.00 0.24 C ATOM 157 O SER A 42 -1.355 2.103 4.063 1.00 0.34 O ATOM 158 CB SER A 42 0.526 -0.445 3.235 1.00 0.21 C ATOM 159 OG SER A 42 1.894 -0.809 3.292 1.00 0.30 O ATOM 0 H SER A 42 0.002 -1.684 5.333 1.00 0.17 H new ATOM 0 HA SER A 42 0.815 1.035 4.746 1.00 0.19 H new ATOM 0 HB2 SER A 42 -0.085 -1.333 3.071 1.00 0.21 H new ATOM 0 HB3 SER A 42 0.357 0.219 2.387 1.00 0.21 H new ATOM 0 HG SER A 42 2.208 -1.041 2.393 1.00 0.30 H new ATOM 165 N THR A 43 -2.334 0.160 4.637 1.00 0.20 N ATOM 166 CA THR A 43 -3.684 0.704 4.562 1.00 0.25 C ATOM 167 C THR A 43 -3.946 1.608 5.759 1.00 0.26 C ATOM 168 O THR A 43 -4.754 2.534 5.694 1.00 0.28 O ATOM 169 CB THR A 43 -4.750 -0.405 4.523 1.00 0.33 C ATOM 170 OG1 THR A 43 -4.222 -1.615 5.073 1.00 0.42 O ATOM 171 CG2 THR A 43 -5.231 -0.655 3.102 1.00 0.38 C ATOM 0 H THR A 43 -2.288 -0.825 4.896 1.00 0.20 H new ATOM 0 HA THR A 43 -3.754 1.274 3.636 1.00 0.25 H new ATOM 0 HB THR A 43 -5.600 -0.075 5.121 1.00 0.33 H new ATOM 0 HG1 THR A 43 -3.742 -1.415 5.904 1.00 0.42 H new ATOM 0 HG21 THR A 43 -5.984 -1.444 3.106 1.00 0.38 H new ATOM 0 HG22 THR A 43 -5.666 0.260 2.699 1.00 0.38 H new ATOM 0 HG23 THR A 43 -4.389 -0.960 2.481 1.00 0.38 H new ATOM 179 N GLU A 44 -3.245 1.327 6.854 1.00 0.25 N ATOM 180 CA GLU A 44 -3.376 2.106 8.072 1.00 0.27 C ATOM 181 C GLU A 44 -2.544 3.377 7.967 1.00 0.23 C ATOM 182 O GLU A 44 -3.032 4.470 8.240 1.00 0.21 O ATOM 183 CB GLU A 44 -2.935 1.273 9.274 1.00 0.31 C ATOM 184 CG GLU A 44 -2.647 2.091 10.514 1.00 0.65 C ATOM 185 CD GLU A 44 -2.192 1.241 11.685 1.00 0.79 C ATOM 186 OE1 GLU A 44 -0.978 0.962 11.779 1.00 1.06 O ATOM 187 OE2 GLU A 44 -3.049 0.856 12.507 1.00 1.52 O ATOM 0 H GLU A 44 -2.577 0.559 6.918 1.00 0.25 H new ATOM 0 HA GLU A 44 -4.421 2.385 8.209 1.00 0.27 H new ATOM 0 HB2 GLU A 44 -3.713 0.544 9.504 1.00 0.31 H new ATOM 0 HB3 GLU A 44 -2.041 0.711 9.006 1.00 0.31 H new ATOM 0 HG2 GLU A 44 -1.878 2.829 10.286 1.00 0.65 H new ATOM 0 HG3 GLU A 44 -3.544 2.642 10.797 1.00 0.65 H new ATOM 194 N ALA A 45 -1.280 3.217 7.581 1.00 0.26 N ATOM 195 CA ALA A 45 -0.376 4.350 7.420 1.00 0.26 C ATOM 196 C ALA A 45 -1.033 5.456 6.602 1.00 0.23 C ATOM 197 O ALA A 45 -0.984 6.630 6.975 1.00 0.23 O ATOM 198 CB ALA A 45 0.921 3.903 6.763 1.00 0.28 C ATOM 0 H ALA A 45 -0.859 2.311 7.374 1.00 0.26 H new ATOM 0 HA ALA A 45 -0.148 4.748 8.409 1.00 0.26 H new ATOM 0 HB1 ALA A 45 1.585 4.760 6.650 1.00 0.28 H new ATOM 0 HB2 ALA A 45 1.403 3.150 7.386 1.00 0.28 H new ATOM 0 HB3 ALA A 45 0.705 3.479 5.782 1.00 0.28 H new ATOM 204 N LEU A 46 -1.652 5.078 5.485 1.00 0.22 N ATOM 205 CA LEU A 46 -2.329 6.056 4.642 1.00 0.21 C ATOM 206 C LEU A 46 -3.574 6.573 5.347 1.00 0.18 C ATOM 207 O LEU A 46 -3.848 7.770 5.328 1.00 0.16 O ATOM 208 CB LEU A 46 -2.678 5.474 3.263 1.00 0.23 C ATOM 209 CG LEU A 46 -3.728 4.363 3.245 1.00 0.23 C ATOM 210 CD1 LEU A 46 -5.134 4.937 3.197 1.00 0.21 C ATOM 211 CD2 LEU A 46 -3.502 3.444 2.067 1.00 0.30 C ATOM 0 H LEU A 46 -1.698 4.116 5.148 1.00 0.22 H new ATOM 0 HA LEU A 46 -1.647 6.889 4.472 1.00 0.21 H new ATOM 0 HB2 LEU A 46 -3.028 6.287 2.627 1.00 0.23 H new ATOM 0 HB3 LEU A 46 -1.763 5.088 2.813 1.00 0.23 H new ATOM 0 HG LEU A 46 -3.625 3.791 4.167 1.00 0.23 H new ATOM 0 HD11 LEU A 46 -5.859 4.123 3.185 1.00 0.21 H new ATOM 0 HD12 LEU A 46 -5.303 5.560 4.075 1.00 0.21 H new ATOM 0 HD13 LEU A 46 -5.250 5.540 2.296 1.00 0.21 H new ATOM 0 HD21 LEU A 46 -4.258 2.658 2.068 1.00 0.30 H new ATOM 0 HD22 LEU A 46 -3.574 4.015 1.141 1.00 0.30 H new ATOM 0 HD23 LEU A 46 -2.512 2.995 2.141 1.00 0.30 H new ATOM 223 N CYS A 47 -4.310 5.663 5.986 1.00 0.17 N ATOM 224 CA CYS A 47 -5.530 6.020 6.705 1.00 0.16 C ATOM 225 C CYS A 47 -5.263 7.133 7.713 1.00 0.16 C ATOM 226 O CYS A 47 -6.027 8.094 7.807 1.00 0.20 O ATOM 227 CB CYS A 47 -6.101 4.795 7.420 1.00 0.19 C ATOM 228 SG CYS A 47 -7.583 5.134 8.399 1.00 0.23 S ATOM 0 H CYS A 47 -4.080 4.670 6.019 1.00 0.17 H new ATOM 0 HA CYS A 47 -6.258 6.381 5.978 1.00 0.16 H new ATOM 0 HB2 CYS A 47 -6.336 4.032 6.678 1.00 0.19 H new ATOM 0 HB3 CYS A 47 -5.334 4.379 8.074 1.00 0.19 H new ATOM 0 HG CYS A 47 -7.991 4.036 8.963 1.00 0.23 H new ATOM 234 N LEU A 48 -4.178 6.994 8.467 1.00 0.17 N ATOM 235 CA LEU A 48 -3.804 7.989 9.460 1.00 0.18 C ATOM 236 C LEU A 48 -3.502 9.315 8.785 1.00 0.18 C ATOM 237 O LEU A 48 -3.910 10.371 9.266 1.00 0.23 O ATOM 238 CB LEU A 48 -2.592 7.510 10.267 1.00 0.21 C ATOM 239 CG LEU A 48 -2.926 6.746 11.552 1.00 0.23 C ATOM 240 CD1 LEU A 48 -4.031 5.730 11.307 1.00 1.20 C ATOM 241 CD2 LEU A 48 -1.684 6.059 12.101 1.00 1.14 C ATOM 0 H LEU A 48 -3.542 6.199 8.408 1.00 0.17 H new ATOM 0 HA LEU A 48 -4.640 8.130 10.145 1.00 0.18 H new ATOM 0 HB2 LEU A 48 -1.982 6.869 9.630 1.00 0.21 H new ATOM 0 HB3 LEU A 48 -1.983 8.376 10.526 1.00 0.21 H new ATOM 0 HG LEU A 48 -3.282 7.464 12.291 1.00 0.23 H new ATOM 0 HD11 LEU A 48 -4.250 5.200 12.234 1.00 1.20 H new ATOM 0 HD12 LEU A 48 -4.928 6.244 10.962 1.00 1.20 H new ATOM 0 HD13 LEU A 48 -3.708 5.016 10.549 1.00 1.20 H new ATOM 0 HD21 LEU A 48 -1.939 5.521 13.014 1.00 1.14 H new ATOM 0 HD22 LEU A 48 -1.300 5.357 11.361 1.00 1.14 H new ATOM 0 HD23 LEU A 48 -0.922 6.807 12.322 1.00 1.14 H new ATOM 253 N ALA A 49 -2.782 9.255 7.668 1.00 0.16 N ATOM 254 CA ALA A 49 -2.453 10.457 6.920 1.00 0.18 C ATOM 255 C ALA A 49 -3.722 11.221 6.570 1.00 0.18 C ATOM 256 O ALA A 49 -3.712 12.446 6.456 1.00 0.28 O ATOM 257 CB ALA A 49 -1.675 10.114 5.663 1.00 0.19 C ATOM 0 H ALA A 49 -2.419 8.391 7.266 1.00 0.16 H new ATOM 0 HA ALA A 49 -1.824 11.091 7.545 1.00 0.18 H new ATOM 0 HB1 ALA A 49 -1.440 11.029 5.120 1.00 0.19 H new ATOM 0 HB2 ALA A 49 -0.750 9.606 5.935 1.00 0.19 H new ATOM 0 HB3 ALA A 49 -2.276 9.460 5.030 1.00 0.19 H new ATOM 263 N ILE A 50 -4.817 10.483 6.399 1.00 0.12 N ATOM 264 CA ILE A 50 -6.100 11.096 6.087 1.00 0.14 C ATOM 265 C ILE A 50 -6.660 11.753 7.338 1.00 0.18 C ATOM 266 O ILE A 50 -7.245 12.835 7.284 1.00 0.21 O ATOM 267 CB ILE A 50 -7.128 10.076 5.556 1.00 0.14 C ATOM 268 CG1 ILE A 50 -6.449 8.997 4.718 1.00 0.15 C ATOM 269 CG2 ILE A 50 -8.166 10.792 4.720 1.00 0.17 C ATOM 270 CD1 ILE A 50 -7.389 7.908 4.243 1.00 0.18 C ATOM 0 H ILE A 50 -4.839 9.466 6.471 1.00 0.12 H new ATOM 0 HA ILE A 50 -5.926 11.832 5.302 1.00 0.14 H new ATOM 0 HB ILE A 50 -7.607 9.595 6.409 1.00 0.14 H new ATOM 0 HG12 ILE A 50 -5.982 9.464 3.851 1.00 0.15 H new ATOM 0 HG13 ILE A 50 -5.650 8.544 5.305 1.00 0.15 H new ATOM 0 HG21 ILE A 50 -8.892 10.071 4.345 1.00 0.17 H new ATOM 0 HG22 ILE A 50 -8.676 11.536 5.332 1.00 0.17 H new ATOM 0 HG23 ILE A 50 -7.679 11.286 3.880 1.00 0.17 H new ATOM 0 HD11 ILE A 50 -6.833 7.179 3.654 1.00 0.18 H new ATOM 0 HD12 ILE A 50 -7.837 7.413 5.104 1.00 0.18 H new ATOM 0 HD13 ILE A 50 -8.174 8.348 3.628 1.00 0.18 H new ATOM 282 N SER A 51 -6.472 11.076 8.466 1.00 0.25 N ATOM 283 CA SER A 51 -6.927 11.581 9.750 1.00 0.31 C ATOM 284 C SER A 51 -5.979 12.664 10.248 1.00 0.35 C ATOM 285 O SER A 51 -6.267 13.365 11.219 1.00 0.40 O ATOM 286 CB SER A 51 -7.014 10.447 10.766 1.00 0.35 C ATOM 287 OG SER A 51 -7.161 10.946 12.082 1.00 0.45 O ATOM 0 H SER A 51 -6.004 10.171 8.513 1.00 0.25 H new ATOM 0 HA SER A 51 -7.921 12.011 9.626 1.00 0.31 H new ATOM 0 HB2 SER A 51 -7.858 9.802 10.523 1.00 0.35 H new ATOM 0 HB3 SER A 51 -6.116 9.832 10.706 1.00 0.35 H new ATOM 0 HG SER A 51 -7.047 11.919 12.077 1.00 0.45 H new ATOM 293 N ARG A 52 -4.844 12.793 9.565 1.00 0.33 N ATOM 294 CA ARG A 52 -3.841 13.788 9.917 1.00 0.40 C ATOM 295 C ARG A 52 -4.032 15.060 9.104 1.00 0.41 C ATOM 296 O ARG A 52 -3.438 16.095 9.405 1.00 0.85 O ATOM 297 CB ARG A 52 -2.431 13.234 9.699 1.00 0.46 C ATOM 298 CG ARG A 52 -1.978 12.283 10.794 1.00 1.01 C ATOM 299 CD ARG A 52 -0.502 11.943 10.662 1.00 1.09 C ATOM 300 NE ARG A 52 -0.218 11.186 9.447 1.00 1.61 N ATOM 301 CZ ARG A 52 0.995 11.079 8.912 1.00 1.97 C ATOM 302 NH1 ARG A 52 2.028 11.691 9.476 1.00 1.88 N ATOM 303 NH2 ARG A 52 1.176 10.360 7.813 1.00 2.91 N ATOM 0 H ARG A 52 -4.598 12.216 8.761 1.00 0.33 H new ATOM 0 HA ARG A 52 -3.964 14.029 10.973 1.00 0.40 H new ATOM 0 HB2 ARG A 52 -2.397 12.715 8.741 1.00 0.46 H new ATOM 0 HB3 ARG A 52 -1.728 14.065 9.637 1.00 0.46 H new ATOM 0 HG2 ARG A 52 -2.163 12.735 11.769 1.00 1.01 H new ATOM 0 HG3 ARG A 52 -2.569 11.368 10.750 1.00 1.01 H new ATOM 0 HD2 ARG A 52 0.082 12.863 10.660 1.00 1.09 H new ATOM 0 HD3 ARG A 52 -0.185 11.366 11.530 1.00 1.09 H new ATOM 0 HE ARG A 52 -0.993 10.713 8.982 1.00 1.61 H new ATOM 0 HH11 ARG A 52 1.893 12.245 10.322 1.00 1.88 H new ATOM 0 HH12 ARG A 52 2.957 11.608 9.064 1.00 1.88 H new ATOM 0 HH21 ARG A 52 0.384 9.888 7.376 1.00 2.91 H new ATOM 0 HH22 ARG A 52 2.107 10.279 7.404 1.00 2.91 H new ATOM 317 N ASN A 53 -4.870 14.977 8.075 1.00 0.47 N ATOM 318 CA ASN A 53 -5.141 16.120 7.213 1.00 0.59 C ATOM 319 C ASN A 53 -6.313 16.936 7.751 1.00 0.83 C ATOM 320 O ASN A 53 -6.806 17.849 7.088 1.00 0.89 O ATOM 321 CB ASN A 53 -5.440 15.642 5.787 1.00 0.48 C ATOM 322 CG ASN A 53 -5.515 16.785 4.793 1.00 1.16 C ATOM 323 OD1 ASN A 53 -4.367 17.177 4.256 1.00 1.88 O flip ATOM 324 ND2 ASN A 53 -6.593 17.308 4.511 1.00 1.29 N flip ATOM 0 H ASN A 53 -5.373 14.128 7.818 1.00 0.47 H new ATOM 0 HA ASN A 53 -4.258 16.758 7.197 1.00 0.59 H new ATOM 0 HB2 ASN A 53 -4.666 14.942 5.473 1.00 0.48 H new ATOM 0 HB3 ASN A 53 -6.384 15.097 5.781 1.00 0.48 H new ATOM 0 HD21 ASN A 53 -7.452 16.974 4.949 1.00 1.29 H new ATOM 0 HD22 ASN A 53 -6.628 18.075 3.840 1.00 1.29 H new ATOM 331 N SER A 54 -6.750 16.606 8.963 1.00 1.05 N ATOM 332 CA SER A 54 -7.863 17.308 9.591 1.00 1.41 C ATOM 333 C SER A 54 -7.520 17.714 11.021 1.00 1.56 C ATOM 334 O SER A 54 -7.988 18.742 11.513 1.00 1.78 O ATOM 335 CB SER A 54 -9.114 16.429 9.584 1.00 1.56 C ATOM 336 OG SER A 54 -9.495 16.096 8.261 1.00 2.20 O ATOM 0 H SER A 54 -6.350 15.857 9.529 1.00 1.05 H new ATOM 0 HA SER A 54 -8.058 18.213 9.016 1.00 1.41 H new ATOM 0 HB2 SER A 54 -8.925 15.518 10.152 1.00 1.56 H new ATOM 0 HB3 SER A 54 -9.932 16.951 10.081 1.00 1.56 H new ATOM 0 HG SER A 54 -10.296 15.532 8.283 1.00 2.20 H new ATOM 342 N GLU A 55 -6.702 16.903 11.685 1.00 1.53 N ATOM 343 CA GLU A 55 -6.302 17.178 13.060 1.00 1.81 C ATOM 344 C GLU A 55 -5.002 17.976 13.105 1.00 1.87 C ATOM 345 O GLU A 55 -4.768 18.745 14.037 1.00 2.03 O ATOM 346 CB GLU A 55 -6.142 15.871 13.840 1.00 2.09 C ATOM 347 CG GLU A 55 -7.433 15.081 13.975 1.00 2.65 C ATOM 348 CD GLU A 55 -7.251 13.795 14.758 1.00 3.05 C ATOM 349 OE1 GLU A 55 -6.940 12.758 14.133 1.00 3.68 O ATOM 350 OE2 GLU A 55 -7.419 13.824 15.995 1.00 3.21 O ATOM 0 H GLU A 55 -6.303 16.050 11.293 1.00 1.53 H new ATOM 0 HA GLU A 55 -7.086 17.776 13.524 1.00 1.81 H new ATOM 0 HB2 GLU A 55 -5.396 15.250 13.343 1.00 2.09 H new ATOM 0 HB3 GLU A 55 -5.758 16.096 14.835 1.00 2.09 H new ATOM 0 HG2 GLU A 55 -8.183 15.699 14.468 1.00 2.65 H new ATOM 0 HG3 GLU A 55 -7.816 14.846 12.982 1.00 2.65 H new ATOM 357 N GLN A 56 -4.159 17.787 12.094 1.00 1.85 N ATOM 358 CA GLN A 56 -2.883 18.493 12.021 1.00 2.05 C ATOM 359 C GLN A 56 -2.649 19.057 10.623 1.00 1.77 C ATOM 360 O GLN A 56 -1.642 19.721 10.372 1.00 2.35 O ATOM 361 CB GLN A 56 -1.730 17.563 12.405 1.00 2.57 C ATOM 362 CG GLN A 56 -1.880 16.941 13.785 1.00 3.12 C ATOM 363 CD GLN A 56 -2.431 15.527 13.738 1.00 3.51 C ATOM 364 OE1 GLN A 56 -3.218 15.229 12.711 1.00 4.31 O flip ATOM 365 NE2 GLN A 56 -2.148 14.710 14.614 1.00 3.12 N flip ATOM 0 H GLN A 56 -4.336 17.152 11.315 1.00 1.85 H new ATOM 0 HA GLN A 56 -2.921 19.322 12.728 1.00 2.05 H new ATOM 0 HB2 GLN A 56 -1.654 16.767 11.664 1.00 2.57 H new ATOM 0 HB3 GLN A 56 -0.796 18.123 12.368 1.00 2.57 H new ATOM 0 HG2 GLN A 56 -0.910 16.931 14.281 1.00 3.12 H new ATOM 0 HG3 GLN A 56 -2.541 17.563 14.389 1.00 3.12 H new ATOM 0 HE21 GLN A 56 -1.539 14.981 15.386 1.00 3.12 H new ATOM 0 HE22 GLN A 56 -2.522 13.762 14.568 1.00 3.12 H new ATOM 374 N MET A 57 -3.588 18.789 9.717 1.00 1.64 N ATOM 375 CA MET A 57 -3.490 19.263 8.340 1.00 1.78 C ATOM 376 C MET A 57 -2.187 18.798 7.698 1.00 1.42 C ATOM 377 O MET A 57 -1.308 19.606 7.396 1.00 1.78 O ATOM 378 CB MET A 57 -3.584 20.790 8.297 1.00 2.45 C ATOM 379 CG MET A 57 -4.871 21.334 8.897 1.00 2.93 C ATOM 380 SD MET A 57 -4.932 23.138 8.893 1.00 3.79 S ATOM 381 CE MET A 57 -4.874 23.478 7.136 1.00 3.85 C ATOM 0 H MET A 57 -4.427 18.244 9.914 1.00 1.64 H new ATOM 0 HA MET A 57 -4.321 18.842 7.774 1.00 1.78 H new ATOM 0 HB2 MET A 57 -2.735 21.214 8.833 1.00 2.45 H new ATOM 0 HB3 MET A 57 -3.506 21.122 7.262 1.00 2.45 H new ATOM 0 HG2 MET A 57 -5.721 20.944 8.337 1.00 2.93 H new ATOM 0 HG3 MET A 57 -4.971 20.973 9.921 1.00 2.93 H new ATOM 0 HE1 MET A 57 -5.567 24.285 6.899 1.00 3.85 H new ATOM 0 HE2 MET A 57 -3.863 23.774 6.856 1.00 3.85 H new ATOM 0 HE3 MET A 57 -5.157 22.583 6.583 1.00 3.85 H new ATOM 391 N ALA A 58 -2.070 17.490 7.488 1.00 1.35 N ATOM 392 CA ALA A 58 -0.874 16.917 6.885 1.00 1.07 C ATOM 393 C ALA A 58 -0.803 17.232 5.395 1.00 1.14 C ATOM 394 O ALA A 58 -0.220 18.241 4.998 1.00 1.92 O ATOM 395 CB ALA A 58 -0.830 15.414 7.117 1.00 0.89 C ATOM 0 H ALA A 58 -2.790 16.808 7.727 1.00 1.35 H new ATOM 0 HA ALA A 58 -0.005 17.369 7.364 1.00 1.07 H new ATOM 0 HB1 ALA A 58 0.070 15.002 6.660 1.00 0.89 H new ATOM 0 HB2 ALA A 58 -0.819 15.211 8.188 1.00 0.89 H new ATOM 0 HB3 ALA A 58 -1.709 14.951 6.669 1.00 0.89 H new ATOM 401 N SER A 59 -1.408 16.372 4.576 1.00 0.79 N ATOM 402 CA SER A 59 -1.404 16.562 3.128 1.00 1.11 C ATOM 403 C SER A 59 -2.164 15.447 2.417 1.00 0.72 C ATOM 404 O SER A 59 -2.053 14.275 2.778 1.00 0.72 O ATOM 405 CB SER A 59 0.034 16.613 2.603 1.00 1.84 C ATOM 406 OG SER A 59 0.058 16.780 1.195 1.00 2.28 O ATOM 0 H SER A 59 -1.906 15.539 4.891 1.00 0.79 H new ATOM 0 HA SER A 59 -1.904 17.508 2.919 1.00 1.11 H new ATOM 0 HB2 SER A 59 0.569 17.435 3.079 1.00 1.84 H new ATOM 0 HB3 SER A 59 0.556 15.695 2.872 1.00 1.84 H new ATOM 0 HG SER A 59 0.987 16.811 0.885 1.00 2.28 H new ATOM 412 N HIS A 60 -2.944 15.825 1.405 1.00 0.54 N ATOM 413 CA HIS A 60 -3.706 14.860 0.622 1.00 0.41 C ATOM 414 C HIS A 60 -2.746 13.970 -0.158 1.00 0.37 C ATOM 415 O HIS A 60 -3.095 12.866 -0.574 1.00 0.60 O ATOM 416 CB HIS A 60 -4.652 15.585 -0.343 1.00 0.56 C ATOM 417 CG HIS A 60 -4.047 15.852 -1.687 1.00 0.48 C ATOM 418 ND1 HIS A 60 -3.045 16.775 -1.853 1.00 1.10 N ATOM 419 CD2 HIS A 60 -4.323 15.277 -2.882 1.00 0.48 C ATOM 420 CE1 HIS A 60 -2.732 16.740 -3.136 1.00 1.30 C ATOM 421 NE2 HIS A 60 -3.481 15.848 -3.800 1.00 0.80 N ATOM 0 H HIS A 60 -3.063 16.794 1.110 1.00 0.54 H new ATOM 0 HA HIS A 60 -4.304 14.246 1.296 1.00 0.41 H new ATOM 0 HB2 HIS A 60 -5.554 14.987 -0.472 1.00 0.56 H new ATOM 0 HB3 HIS A 60 -4.958 16.531 0.103 1.00 0.56 H new ATOM 0 HD1 HIS A 60 -2.628 17.366 -1.134 1.00 1.10 H new ATOM 0 HD2 HIS A 60 -5.064 14.515 -3.074 1.00 0.48 H new ATOM 0 HE1 HIS A 60 -1.969 17.353 -3.593 1.00 1.30 H new ATOM 429 N SER A 61 -1.529 14.476 -0.354 1.00 0.33 N ATOM 430 CA SER A 61 -0.498 13.748 -1.081 1.00 0.40 C ATOM 431 C SER A 61 0.105 12.654 -0.211 1.00 0.29 C ATOM 432 O SER A 61 0.835 11.792 -0.699 1.00 0.28 O ATOM 433 CB SER A 61 0.599 14.707 -1.549 1.00 0.58 C ATOM 434 OG SER A 61 1.613 14.014 -2.258 1.00 1.58 O ATOM 0 H SER A 61 -1.235 15.392 -0.016 1.00 0.33 H new ATOM 0 HA SER A 61 -0.959 13.283 -1.952 1.00 0.40 H new ATOM 0 HB2 SER A 61 0.166 15.477 -2.187 1.00 0.58 H new ATOM 0 HB3 SER A 61 1.034 15.215 -0.688 1.00 0.58 H new ATOM 0 HG SER A 61 1.684 13.098 -1.916 1.00 1.58 H new ATOM 440 N ALA A 62 -0.206 12.692 1.082 1.00 0.26 N ATOM 441 CA ALA A 62 0.297 11.696 2.016 1.00 0.24 C ATOM 442 C ALA A 62 -0.528 10.423 1.906 1.00 0.19 C ATOM 443 O ALA A 62 0.015 9.325 1.795 1.00 0.21 O ATOM 444 CB ALA A 62 0.264 12.241 3.436 1.00 0.33 C ATOM 0 H ALA A 62 -0.804 13.403 1.504 1.00 0.26 H new ATOM 0 HA ALA A 62 1.332 11.462 1.767 1.00 0.24 H new ATOM 0 HB1 ALA A 62 0.643 11.486 4.125 1.00 0.33 H new ATOM 0 HB2 ALA A 62 0.887 13.133 3.498 1.00 0.33 H new ATOM 0 HB3 ALA A 62 -0.761 12.495 3.705 1.00 0.33 H new ATOM 450 N VAL A 63 -1.847 10.584 1.934 1.00 0.18 N ATOM 451 CA VAL A 63 -2.760 9.456 1.805 1.00 0.16 C ATOM 452 C VAL A 63 -2.696 8.923 0.382 1.00 0.15 C ATOM 453 O VAL A 63 -2.791 7.719 0.142 1.00 0.18 O ATOM 454 CB VAL A 63 -4.216 9.859 2.143 1.00 0.17 C ATOM 455 CG1 VAL A 63 -4.509 11.275 1.671 1.00 0.21 C ATOM 456 CG2 VAL A 63 -5.214 8.882 1.531 1.00 0.19 C ATOM 0 H VAL A 63 -2.307 11.487 2.045 1.00 0.18 H new ATOM 0 HA VAL A 63 -2.454 8.686 2.513 1.00 0.16 H new ATOM 0 HB VAL A 63 -4.325 9.824 3.227 1.00 0.17 H new ATOM 0 HG11 VAL A 63 -5.538 11.536 1.919 1.00 0.21 H new ATOM 0 HG12 VAL A 63 -3.829 11.971 2.163 1.00 0.21 H new ATOM 0 HG13 VAL A 63 -4.370 11.335 0.592 1.00 0.21 H new ATOM 0 HG21 VAL A 63 -6.228 9.191 1.785 1.00 0.19 H new ATOM 0 HG22 VAL A 63 -5.098 8.875 0.447 1.00 0.19 H new ATOM 0 HG23 VAL A 63 -5.030 7.881 1.922 1.00 0.19 H new ATOM 466 N LEU A 64 -2.538 9.847 -0.553 1.00 0.16 N ATOM 467 CA LEU A 64 -2.441 9.514 -1.970 1.00 0.18 C ATOM 468 C LEU A 64 -1.217 8.632 -2.237 1.00 0.20 C ATOM 469 O LEU A 64 -1.339 7.524 -2.757 1.00 0.24 O ATOM 470 CB LEU A 64 -2.346 10.809 -2.790 1.00 0.17 C ATOM 471 CG LEU A 64 -2.652 10.688 -4.287 1.00 0.17 C ATOM 472 CD1 LEU A 64 -1.498 10.036 -5.029 1.00 0.23 C ATOM 473 CD2 LEU A 64 -3.939 9.911 -4.514 1.00 0.24 C ATOM 0 H LEU A 64 -2.473 10.845 -0.355 1.00 0.16 H new ATOM 0 HA LEU A 64 -3.331 8.958 -2.265 1.00 0.18 H new ATOM 0 HB2 LEU A 64 -3.031 11.538 -2.358 1.00 0.17 H new ATOM 0 HB3 LEU A 64 -1.339 11.212 -2.678 1.00 0.17 H new ATOM 0 HG LEU A 64 -2.784 11.695 -4.683 1.00 0.17 H new ATOM 0 HD11 LEU A 64 -1.742 9.963 -6.089 1.00 0.23 H new ATOM 0 HD12 LEU A 64 -0.598 10.639 -4.905 1.00 0.23 H new ATOM 0 HD13 LEU A 64 -1.324 9.038 -4.627 1.00 0.23 H new ATOM 0 HD21 LEU A 64 -4.136 9.838 -5.584 1.00 0.24 H new ATOM 0 HD22 LEU A 64 -3.839 8.910 -4.094 1.00 0.24 H new ATOM 0 HD23 LEU A 64 -4.766 10.427 -4.027 1.00 0.24 H new ATOM 485 N GLU A 65 -0.043 9.142 -1.874 1.00 0.19 N ATOM 486 CA GLU A 65 1.213 8.417 -2.066 1.00 0.22 C ATOM 487 C GLU A 65 1.244 7.113 -1.270 1.00 0.20 C ATOM 488 O GLU A 65 1.674 6.076 -1.773 1.00 0.21 O ATOM 489 CB GLU A 65 2.394 9.302 -1.655 1.00 0.23 C ATOM 490 CG GLU A 65 3.741 8.601 -1.736 1.00 0.32 C ATOM 491 CD GLU A 65 4.097 8.184 -3.150 1.00 1.32 C ATOM 492 OE1 GLU A 65 3.676 7.085 -3.569 1.00 2.32 O ATOM 493 OE2 GLU A 65 4.795 8.956 -3.839 1.00 1.65 O ATOM 0 H GLU A 65 0.066 10.060 -1.443 1.00 0.19 H new ATOM 0 HA GLU A 65 1.290 8.164 -3.123 1.00 0.22 H new ATOM 0 HB2 GLU A 65 2.415 10.185 -2.294 1.00 0.23 H new ATOM 0 HB3 GLU A 65 2.237 9.651 -0.634 1.00 0.23 H new ATOM 0 HG2 GLU A 65 4.515 9.264 -1.351 1.00 0.32 H new ATOM 0 HG3 GLU A 65 3.727 7.720 -1.094 1.00 0.32 H new ATOM 500 N ALA A 66 0.775 7.177 -0.033 1.00 0.18 N ATOM 501 CA ALA A 66 0.764 6.007 0.841 1.00 0.16 C ATOM 502 C ALA A 66 -0.214 4.958 0.334 1.00 0.22 C ATOM 503 O ALA A 66 0.007 3.758 0.506 1.00 0.29 O ATOM 504 CB ALA A 66 0.419 6.402 2.266 1.00 0.16 C ATOM 0 H ALA A 66 0.397 8.024 0.391 1.00 0.18 H new ATOM 0 HA ALA A 66 1.765 5.576 0.833 1.00 0.16 H new ATOM 0 HB1 ALA A 66 0.417 5.515 2.899 1.00 0.16 H new ATOM 0 HB2 ALA A 66 1.160 7.110 2.637 1.00 0.16 H new ATOM 0 HB3 ALA A 66 -0.568 6.865 2.287 1.00 0.16 H new ATOM 510 N GLY A 67 -1.292 5.411 -0.292 1.00 0.29 N ATOM 511 CA GLY A 67 -2.275 4.484 -0.812 1.00 0.40 C ATOM 512 C GLY A 67 -1.834 3.859 -2.118 1.00 0.26 C ATOM 513 O GLY A 67 -2.219 2.732 -2.426 1.00 0.25 O ATOM 0 H GLY A 67 -1.502 6.397 -0.448 1.00 0.29 H new ATOM 0 HA2 GLY A 67 -2.456 3.699 -0.078 1.00 0.40 H new ATOM 0 HA3 GLY A 67 -3.221 5.005 -0.961 1.00 0.40 H new ATOM 517 N LYS A 68 -1.037 4.588 -2.896 1.00 0.21 N ATOM 518 CA LYS A 68 -0.509 4.047 -4.140 1.00 0.15 C ATOM 519 C LYS A 68 0.407 2.884 -3.795 1.00 0.16 C ATOM 520 O LYS A 68 0.343 1.811 -4.395 1.00 0.21 O ATOM 521 CB LYS A 68 0.273 5.111 -4.915 1.00 0.18 C ATOM 522 CG LYS A 68 -0.389 5.530 -6.214 1.00 0.66 C ATOM 523 CD LYS A 68 -1.349 6.683 -6.004 1.00 0.65 C ATOM 524 CE LYS A 68 -2.423 6.709 -7.075 1.00 0.73 C ATOM 525 NZ LYS A 68 -3.146 8.009 -7.108 1.00 0.83 N ATOM 0 H LYS A 68 -0.747 5.544 -2.688 1.00 0.21 H new ATOM 0 HA LYS A 68 -1.333 3.716 -4.772 1.00 0.15 H new ATOM 0 HB2 LYS A 68 0.399 5.989 -4.282 1.00 0.18 H new ATOM 0 HB3 LYS A 68 1.271 4.729 -5.133 1.00 0.18 H new ATOM 0 HG2 LYS A 68 0.375 5.819 -6.936 1.00 0.66 H new ATOM 0 HG3 LYS A 68 -0.925 4.682 -6.640 1.00 0.66 H new ATOM 0 HD2 LYS A 68 -1.814 6.597 -5.022 1.00 0.65 H new ATOM 0 HD3 LYS A 68 -0.799 7.624 -6.015 1.00 0.65 H new ATOM 0 HE2 LYS A 68 -1.969 6.522 -8.048 1.00 0.73 H new ATOM 0 HE3 LYS A 68 -3.134 5.903 -6.895 1.00 0.73 H new ATOM 0 HZ1 LYS A 68 -4.122 7.855 -7.432 1.00 0.83 H new ATOM 0 HZ2 LYS A 68 -3.159 8.423 -6.154 1.00 0.83 H new ATOM 0 HZ3 LYS A 68 -2.663 8.658 -7.761 1.00 0.83 H new ATOM 539 N ASN A 69 1.263 3.131 -2.808 1.00 0.16 N ATOM 540 CA ASN A 69 2.195 2.132 -2.313 1.00 0.19 C ATOM 541 C ASN A 69 1.432 0.922 -1.787 1.00 0.20 C ATOM 542 O ASN A 69 1.799 -0.224 -2.041 1.00 0.23 O ATOM 543 CB ASN A 69 3.050 2.735 -1.195 1.00 0.21 C ATOM 544 CG ASN A 69 4.275 3.452 -1.725 1.00 0.25 C ATOM 545 OD1 ASN A 69 5.303 2.834 -2.000 1.00 0.53 O ATOM 546 ND2 ASN A 69 4.173 4.768 -1.861 1.00 0.30 N ATOM 0 H ASN A 69 1.327 4.030 -2.331 1.00 0.16 H new ATOM 0 HA ASN A 69 2.843 1.813 -3.129 1.00 0.19 H new ATOM 0 HB2 ASN A 69 2.446 3.434 -0.616 1.00 0.21 H new ATOM 0 HB3 ASN A 69 3.362 1.944 -0.514 1.00 0.21 H new ATOM 0 HD21 ASN A 69 4.967 5.308 -2.206 1.00 0.30 H new ATOM 0 HD22 ASN A 69 3.301 5.239 -1.621 1.00 0.30 H new ATOM 553 N LEU A 70 0.351 1.200 -1.072 1.00 0.20 N ATOM 554 CA LEU A 70 -0.491 0.165 -0.489 1.00 0.21 C ATOM 555 C LEU A 70 -1.111 -0.701 -1.578 1.00 0.19 C ATOM 556 O LEU A 70 -1.064 -1.930 -1.514 1.00 0.21 O ATOM 557 CB LEU A 70 -1.585 0.838 0.342 1.00 0.24 C ATOM 558 CG LEU A 70 -2.661 -0.071 0.957 1.00 0.28 C ATOM 559 CD1 LEU A 70 -3.616 -0.574 -0.089 1.00 1.00 C ATOM 560 CD2 LEU A 70 -2.054 -1.247 1.690 1.00 1.41 C ATOM 0 H LEU A 70 0.033 2.150 -0.880 1.00 0.20 H new ATOM 0 HA LEU A 70 0.113 -0.482 0.147 1.00 0.21 H new ATOM 0 HB2 LEU A 70 -1.104 1.387 1.151 1.00 0.24 H new ATOM 0 HB3 LEU A 70 -2.084 1.573 -0.289 1.00 0.24 H new ATOM 0 HG LEU A 70 -3.208 0.540 1.675 1.00 0.28 H new ATOM 0 HD11 LEU A 70 -4.364 -1.214 0.379 1.00 1.00 H new ATOM 0 HD12 LEU A 70 -4.110 0.272 -0.568 1.00 1.00 H new ATOM 0 HD13 LEU A 70 -3.067 -1.145 -0.838 1.00 1.00 H new ATOM 0 HD21 LEU A 70 -2.849 -1.864 2.109 1.00 1.41 H new ATOM 0 HD22 LEU A 70 -1.461 -1.842 0.995 1.00 1.41 H new ATOM 0 HD23 LEU A 70 -1.414 -0.884 2.494 1.00 1.41 H new ATOM 572 N TYR A 71 -1.693 -0.045 -2.574 1.00 0.15 N ATOM 573 CA TYR A 71 -2.330 -0.741 -3.683 1.00 0.14 C ATOM 574 C TYR A 71 -1.315 -1.628 -4.391 1.00 0.14 C ATOM 575 O TYR A 71 -1.638 -2.726 -4.849 1.00 0.16 O ATOM 576 CB TYR A 71 -2.944 0.280 -4.663 1.00 0.14 C ATOM 577 CG TYR A 71 -3.064 -0.214 -6.090 1.00 0.13 C ATOM 578 CD1 TYR A 71 -2.008 -0.090 -6.985 1.00 0.71 C ATOM 579 CD2 TYR A 71 -4.236 -0.802 -6.540 1.00 0.75 C ATOM 580 CE1 TYR A 71 -2.117 -0.539 -8.287 1.00 0.72 C ATOM 581 CE2 TYR A 71 -4.355 -1.255 -7.840 1.00 0.75 C ATOM 582 CZ TYR A 71 -3.293 -1.122 -8.709 1.00 0.16 C ATOM 583 OH TYR A 71 -3.408 -1.571 -10.004 1.00 0.19 O ATOM 0 H TYR A 71 -1.737 0.972 -2.636 1.00 0.15 H new ATOM 0 HA TYR A 71 -3.131 -1.373 -3.299 1.00 0.14 H new ATOM 0 HB2 TYR A 71 -3.935 0.559 -4.304 1.00 0.14 H new ATOM 0 HB3 TYR A 71 -2.335 1.184 -4.655 1.00 0.14 H new ATOM 0 HD1 TYR A 71 -1.085 0.366 -6.657 1.00 0.71 H new ATOM 0 HD2 TYR A 71 -5.071 -0.908 -5.863 1.00 0.75 H new ATOM 0 HE1 TYR A 71 -1.287 -0.434 -8.970 1.00 0.72 H new ATOM 0 HE2 TYR A 71 -5.275 -1.711 -8.174 1.00 0.75 H new ATOM 0 HH TYR A 71 -4.299 -1.956 -10.139 1.00 0.19 H new ATOM 593 N SER A 72 -0.083 -1.147 -4.471 1.00 0.14 N ATOM 594 CA SER A 72 0.973 -1.892 -5.133 1.00 0.17 C ATOM 595 C SER A 72 1.462 -3.077 -4.304 1.00 0.13 C ATOM 596 O SER A 72 1.972 -4.045 -4.874 1.00 0.32 O ATOM 597 CB SER A 72 2.140 -0.975 -5.501 1.00 0.29 C ATOM 598 OG SER A 72 2.487 -0.123 -4.426 1.00 1.13 O ATOM 0 H SER A 72 0.207 -0.248 -4.087 1.00 0.14 H new ATOM 0 HA SER A 72 0.543 -2.298 -6.048 1.00 0.17 H new ATOM 0 HB2 SER A 72 3.003 -1.578 -5.783 1.00 0.29 H new ATOM 0 HB3 SER A 72 1.873 -0.375 -6.371 1.00 0.29 H new ATOM 0 HG SER A 72 2.268 -0.561 -3.577 1.00 1.13 H new ATOM 604 N PHE A 73 1.311 -3.046 -2.972 1.00 0.20 N ATOM 605 CA PHE A 73 1.772 -4.176 -2.168 1.00 0.17 C ATOM 606 C PHE A 73 0.756 -5.301 -2.251 1.00 0.13 C ATOM 607 O PHE A 73 1.109 -6.465 -2.442 1.00 0.15 O ATOM 608 CB PHE A 73 1.956 -3.780 -0.699 1.00 0.24 C ATOM 609 CG PHE A 73 2.827 -2.577 -0.475 1.00 0.24 C ATOM 610 CD1 PHE A 73 4.041 -2.441 -1.131 1.00 0.27 C ATOM 611 CD2 PHE A 73 2.429 -1.585 0.405 1.00 0.23 C ATOM 612 CE1 PHE A 73 4.839 -1.334 -0.913 1.00 0.28 C ATOM 613 CE2 PHE A 73 3.220 -0.477 0.625 1.00 0.23 C ATOM 614 CZ PHE A 73 4.428 -0.349 -0.035 1.00 0.26 C ATOM 0 H PHE A 73 0.889 -2.279 -2.448 1.00 0.20 H new ATOM 0 HA PHE A 73 2.735 -4.500 -2.562 1.00 0.17 H new ATOM 0 HB2 PHE A 73 0.975 -3.587 -0.264 1.00 0.24 H new ATOM 0 HB3 PHE A 73 2.383 -4.626 -0.160 1.00 0.24 H new ATOM 0 HD1 PHE A 73 4.366 -3.208 -1.819 1.00 0.27 H new ATOM 0 HD2 PHE A 73 1.488 -1.680 0.926 1.00 0.23 H new ATOM 0 HE1 PHE A 73 5.783 -1.239 -1.428 1.00 0.28 H new ATOM 0 HE2 PHE A 73 2.896 0.290 1.312 1.00 0.23 H new ATOM 0 HZ PHE A 73 5.049 0.518 0.135 1.00 0.26 H new ATOM 624 N CYS A 74 -0.514 -4.931 -2.130 1.00 0.15 N ATOM 625 CA CYS A 74 -1.596 -5.892 -2.204 1.00 0.20 C ATOM 626 C CYS A 74 -1.676 -6.461 -3.614 1.00 0.16 C ATOM 627 O CYS A 74 -2.218 -7.543 -3.833 1.00 0.27 O ATOM 628 CB CYS A 74 -2.914 -5.226 -1.812 1.00 0.31 C ATOM 629 SG CYS A 74 -3.275 -3.718 -2.728 1.00 0.90 S ATOM 0 H CYS A 74 -0.815 -3.968 -1.980 1.00 0.15 H new ATOM 0 HA CYS A 74 -1.406 -6.709 -1.508 1.00 0.20 H new ATOM 0 HB2 CYS A 74 -3.727 -5.935 -1.966 1.00 0.31 H new ATOM 0 HB3 CYS A 74 -2.890 -4.995 -0.747 1.00 0.31 H new ATOM 0 HG CYS A 74 -2.513 -3.656 -3.779 1.00 0.90 H new ATOM 635 N VAL A 75 -1.123 -5.713 -4.569 1.00 0.25 N ATOM 636 CA VAL A 75 -1.099 -6.129 -5.963 1.00 0.28 C ATOM 637 C VAL A 75 -0.097 -7.268 -6.154 1.00 0.27 C ATOM 638 O VAL A 75 -0.372 -8.244 -6.850 1.00 0.29 O ATOM 639 CB VAL A 75 -0.739 -4.930 -6.879 1.00 0.37 C ATOM 640 CG1 VAL A 75 0.551 -5.170 -7.652 1.00 0.38 C ATOM 641 CG2 VAL A 75 -1.881 -4.613 -7.830 1.00 0.43 C ATOM 0 H VAL A 75 -0.683 -4.809 -4.396 1.00 0.25 H new ATOM 0 HA VAL A 75 -2.091 -6.487 -6.239 1.00 0.28 H new ATOM 0 HB VAL A 75 -0.576 -4.069 -6.231 1.00 0.37 H new ATOM 0 HG11 VAL A 75 0.765 -4.305 -8.280 1.00 0.38 H new ATOM 0 HG12 VAL A 75 1.372 -5.321 -6.951 1.00 0.38 H new ATOM 0 HG13 VAL A 75 0.441 -6.055 -8.278 1.00 0.38 H new ATOM 0 HG21 VAL A 75 -1.605 -3.769 -8.462 1.00 0.43 H new ATOM 0 HG22 VAL A 75 -2.086 -5.482 -8.455 1.00 0.43 H new ATOM 0 HG23 VAL A 75 -2.773 -4.360 -7.256 1.00 0.43 H new ATOM 651 N SER A 76 1.076 -7.124 -5.543 1.00 0.27 N ATOM 652 CA SER A 76 2.108 -8.152 -5.624 1.00 0.28 C ATOM 653 C SER A 76 1.883 -9.212 -4.550 1.00 0.23 C ATOM 654 O SER A 76 2.614 -10.199 -4.469 1.00 0.26 O ATOM 655 CB SER A 76 3.497 -7.529 -5.464 1.00 0.32 C ATOM 656 OG SER A 76 3.748 -6.575 -6.480 1.00 0.90 O ATOM 0 H SER A 76 1.334 -6.308 -4.988 1.00 0.27 H new ATOM 0 HA SER A 76 2.048 -8.625 -6.604 1.00 0.28 H new ATOM 0 HB2 SER A 76 3.575 -7.053 -4.487 1.00 0.32 H new ATOM 0 HB3 SER A 76 4.256 -8.311 -5.499 1.00 0.32 H new ATOM 0 HG SER A 76 4.641 -6.191 -6.354 1.00 0.90 H new ATOM 662 N TYR A 77 0.860 -8.992 -3.730 1.00 0.18 N ATOM 663 CA TYR A 77 0.520 -9.911 -2.649 1.00 0.16 C ATOM 664 C TYR A 77 -0.638 -10.844 -3.036 1.00 0.17 C ATOM 665 O TYR A 77 -0.709 -11.979 -2.564 1.00 0.20 O ATOM 666 CB TYR A 77 0.189 -9.098 -1.392 1.00 0.16 C ATOM 667 CG TYR A 77 -0.952 -9.648 -0.580 1.00 0.15 C ATOM 668 CD1 TYR A 77 -0.745 -10.626 0.381 1.00 0.17 C ATOM 669 CD2 TYR A 77 -2.242 -9.189 -0.786 1.00 0.20 C ATOM 670 CE1 TYR A 77 -1.795 -11.132 1.114 1.00 0.19 C ATOM 671 CE2 TYR A 77 -3.297 -9.684 -0.058 1.00 0.22 C ATOM 672 CZ TYR A 77 -3.071 -10.659 0.892 1.00 0.21 C ATOM 673 OH TYR A 77 -4.123 -11.163 1.619 1.00 0.25 O ATOM 0 H TYR A 77 0.248 -8.179 -3.795 1.00 0.18 H new ATOM 0 HA TYR A 77 1.377 -10.554 -2.448 1.00 0.16 H new ATOM 0 HB2 TYR A 77 1.077 -9.048 -0.762 1.00 0.16 H new ATOM 0 HB3 TYR A 77 -0.050 -8.076 -1.687 1.00 0.16 H new ATOM 0 HD1 TYR A 77 0.254 -10.996 0.557 1.00 0.17 H new ATOM 0 HD2 TYR A 77 -2.422 -8.429 -1.532 1.00 0.20 H new ATOM 0 HE1 TYR A 77 -1.620 -11.895 1.858 1.00 0.19 H new ATOM 0 HE2 TYR A 77 -4.297 -9.312 -0.228 1.00 0.22 H new ATOM 0 HH TYR A 77 -3.793 -11.843 2.243 1.00 0.25 H new ATOM 683 N VAL A 78 -1.540 -10.366 -3.898 1.00 0.19 N ATOM 684 CA VAL A 78 -2.684 -11.169 -4.343 1.00 0.25 C ATOM 685 C VAL A 78 -2.249 -12.405 -5.125 1.00 0.27 C ATOM 686 O VAL A 78 -3.078 -13.215 -5.540 1.00 0.25 O ATOM 687 CB VAL A 78 -3.649 -10.361 -5.224 1.00 0.33 C ATOM 688 CG1 VAL A 78 -4.591 -9.544 -4.364 1.00 0.98 C ATOM 689 CG2 VAL A 78 -2.888 -9.474 -6.196 1.00 0.72 C ATOM 0 H VAL A 78 -1.501 -9.430 -4.301 1.00 0.19 H new ATOM 0 HA VAL A 78 -3.194 -11.476 -3.430 1.00 0.25 H new ATOM 0 HB VAL A 78 -4.243 -11.061 -5.812 1.00 0.33 H new ATOM 0 HG11 VAL A 78 -5.268 -8.977 -5.003 1.00 0.98 H new ATOM 0 HG12 VAL A 78 -5.169 -10.210 -3.723 1.00 0.98 H new ATOM 0 HG13 VAL A 78 -4.015 -8.856 -3.746 1.00 0.98 H new ATOM 0 HG21 VAL A 78 -3.595 -8.913 -6.807 1.00 0.72 H new ATOM 0 HG22 VAL A 78 -2.259 -8.779 -5.639 1.00 0.72 H new ATOM 0 HG23 VAL A 78 -2.263 -10.093 -6.840 1.00 0.72 H new ATOM 699 N ASP A 79 -0.951 -12.538 -5.334 1.00 0.36 N ATOM 700 CA ASP A 79 -0.407 -13.675 -6.062 1.00 0.41 C ATOM 701 C ASP A 79 -0.371 -14.912 -5.170 1.00 0.43 C ATOM 702 O ASP A 79 0.183 -15.946 -5.543 1.00 0.51 O ATOM 703 CB ASP A 79 0.998 -13.351 -6.576 1.00 0.48 C ATOM 704 CG ASP A 79 1.543 -14.423 -7.501 1.00 0.68 C ATOM 705 OD1 ASP A 79 1.173 -14.423 -8.694 1.00 1.31 O ATOM 706 OD2 ASP A 79 2.341 -15.261 -7.032 1.00 0.93 O ATOM 0 H ASP A 79 -0.251 -11.871 -5.009 1.00 0.36 H new ATOM 0 HA ASP A 79 -1.053 -13.882 -6.915 1.00 0.41 H new ATOM 0 HB2 ASP A 79 0.977 -12.398 -7.104 1.00 0.48 H new ATOM 0 HB3 ASP A 79 1.672 -13.231 -5.728 1.00 0.48 H new ATOM 711 N SER A 80 -0.973 -14.798 -3.989 1.00 0.41 N ATOM 712 CA SER A 80 -1.010 -15.898 -3.040 1.00 0.46 C ATOM 713 C SER A 80 -2.447 -16.307 -2.738 1.00 0.42 C ATOM 714 O SER A 80 -2.686 -17.336 -2.104 1.00 0.46 O ATOM 715 CB SER A 80 -0.302 -15.493 -1.750 1.00 0.52 C ATOM 716 OG SER A 80 -0.813 -14.272 -1.247 1.00 1.49 O ATOM 0 H SER A 80 -1.442 -13.951 -3.669 1.00 0.41 H new ATOM 0 HA SER A 80 -0.497 -16.752 -3.482 1.00 0.46 H new ATOM 0 HB2 SER A 80 -0.425 -16.277 -1.003 1.00 0.52 H new ATOM 0 HB3 SER A 80 0.768 -15.394 -1.935 1.00 0.52 H new ATOM 0 HG SER A 80 -0.525 -13.534 -1.824 1.00 1.49 H new ATOM 722 N ILE A 81 -3.401 -15.493 -3.189 1.00 0.38 N ATOM 723 CA ILE A 81 -4.812 -15.773 -2.971 1.00 0.38 C ATOM 724 C ILE A 81 -5.154 -17.203 -3.385 1.00 0.51 C ATOM 725 O ILE A 81 -4.795 -17.645 -4.476 1.00 1.39 O ATOM 726 CB ILE A 81 -5.692 -14.789 -3.762 1.00 0.29 C ATOM 727 CG1 ILE A 81 -5.266 -13.342 -3.486 1.00 0.33 C ATOM 728 CG2 ILE A 81 -7.157 -14.996 -3.421 1.00 0.40 C ATOM 729 CD1 ILE A 81 -5.391 -12.909 -2.041 1.00 0.56 C ATOM 0 H ILE A 81 -3.218 -14.634 -3.708 1.00 0.38 H new ATOM 0 HA ILE A 81 -5.010 -15.654 -1.906 1.00 0.38 H new ATOM 0 HB ILE A 81 -5.558 -14.984 -4.826 1.00 0.29 H new ATOM 0 HG12 ILE A 81 -4.230 -13.217 -3.800 1.00 0.33 H new ATOM 0 HG13 ILE A 81 -5.869 -12.676 -4.104 1.00 0.33 H new ATOM 0 HG21 ILE A 81 -7.766 -14.292 -3.989 1.00 0.40 H new ATOM 0 HG22 ILE A 81 -7.449 -16.015 -3.674 1.00 0.40 H new ATOM 0 HG23 ILE A 81 -7.309 -14.829 -2.355 1.00 0.40 H new ATOM 0 HD11 ILE A 81 -5.068 -11.873 -1.942 1.00 0.56 H new ATOM 0 HD12 ILE A 81 -6.430 -12.997 -1.724 1.00 0.56 H new ATOM 0 HD13 ILE A 81 -4.766 -13.545 -1.415 1.00 0.56 H new ATOM 741 N GLN A 82 -5.853 -17.922 -2.509 1.00 0.92 N ATOM 742 CA GLN A 82 -6.223 -19.297 -2.770 1.00 0.92 C ATOM 743 C GLN A 82 -7.731 -19.449 -2.964 1.00 0.93 C ATOM 744 O GLN A 82 -8.176 -20.334 -3.686 1.00 1.11 O ATOM 745 CB GLN A 82 -5.758 -20.174 -1.606 1.00 0.98 C ATOM 746 CG GLN A 82 -6.444 -21.520 -1.565 1.00 1.54 C ATOM 747 CD GLN A 82 -7.602 -21.567 -0.586 1.00 1.78 C ATOM 748 OE1 GLN A 82 -8.811 -21.313 -1.082 1.00 2.55 O flip ATOM 749 NE2 GLN A 82 -7.416 -21.841 0.600 1.00 1.43 N flip ATOM 0 H GLN A 82 -6.173 -17.565 -1.609 1.00 0.92 H new ATOM 0 HA GLN A 82 -5.738 -19.611 -3.694 1.00 0.92 H new ATOM 0 HB2 GLN A 82 -4.681 -20.324 -1.680 1.00 0.98 H new ATOM 0 HB3 GLN A 82 -5.943 -19.650 -0.668 1.00 0.98 H new ATOM 0 HG2 GLN A 82 -6.809 -21.766 -2.562 1.00 1.54 H new ATOM 0 HG3 GLN A 82 -5.716 -22.284 -1.294 1.00 1.54 H new ATOM 0 HE21 GLN A 82 -6.472 -22.029 0.938 1.00 1.43 H new ATOM 0 HE22 GLN A 82 -8.206 -21.880 1.244 1.00 1.43 H new ATOM 758 N GLN A 83 -8.505 -18.605 -2.289 1.00 0.85 N ATOM 759 CA GLN A 83 -9.964 -18.649 -2.366 1.00 0.93 C ATOM 760 C GLN A 83 -10.488 -18.826 -3.797 1.00 0.96 C ATOM 761 O GLN A 83 -11.423 -19.594 -4.020 1.00 1.85 O ATOM 762 CB GLN A 83 -10.549 -17.390 -1.738 1.00 0.93 C ATOM 763 CG GLN A 83 -11.302 -17.657 -0.445 1.00 1.39 C ATOM 764 CD GLN A 83 -11.820 -16.389 0.206 1.00 2.06 C ATOM 765 OE1 GLN A 83 -11.116 -15.283 -0.002 1.00 2.56 O flip ATOM 766 NE2 GLN A 83 -12.845 -16.404 0.889 1.00 2.55 N flip ATOM 0 H GLN A 83 -8.143 -17.875 -1.676 1.00 0.85 H new ATOM 0 HA GLN A 83 -10.288 -19.529 -1.810 1.00 0.93 H new ATOM 0 HB2 GLN A 83 -9.744 -16.682 -1.542 1.00 0.93 H new ATOM 0 HB3 GLN A 83 -11.223 -16.916 -2.452 1.00 0.93 H new ATOM 0 HG2 GLN A 83 -12.140 -18.324 -0.649 1.00 1.39 H new ATOM 0 HG3 GLN A 83 -10.644 -18.176 0.253 1.00 1.39 H new ATOM 0 HE21 GLN A 83 -13.356 -17.277 1.023 1.00 2.55 H new ATOM 0 HE22 GLN A 83 -13.183 -15.544 1.320 1.00 2.55 H new ATOM 775 N MET A 84 -9.893 -18.101 -4.749 1.00 0.95 N ATOM 776 CA MET A 84 -10.277 -18.175 -6.170 1.00 0.91 C ATOM 777 C MET A 84 -11.518 -17.338 -6.491 1.00 0.86 C ATOM 778 O MET A 84 -11.415 -16.151 -6.793 1.00 0.93 O ATOM 779 CB MET A 84 -10.512 -19.616 -6.616 1.00 1.14 C ATOM 780 CG MET A 84 -9.328 -20.520 -6.370 1.00 1.34 C ATOM 781 SD MET A 84 -7.832 -19.956 -7.204 1.00 1.97 S ATOM 782 CE MET A 84 -6.664 -21.211 -6.686 1.00 2.71 C ATOM 0 H MET A 84 -9.133 -17.447 -4.562 1.00 0.95 H new ATOM 0 HA MET A 84 -9.435 -17.760 -6.723 1.00 0.91 H new ATOM 0 HB2 MET A 84 -11.380 -20.014 -6.090 1.00 1.14 H new ATOM 0 HB3 MET A 84 -10.752 -19.625 -7.679 1.00 1.14 H new ATOM 0 HG2 MET A 84 -9.140 -20.581 -5.298 1.00 1.34 H new ATOM 0 HG3 MET A 84 -9.569 -21.527 -6.709 1.00 1.34 H new ATOM 0 HE1 MET A 84 -5.687 -21.001 -7.122 1.00 2.71 H new ATOM 0 HE2 MET A 84 -6.585 -21.208 -5.599 1.00 2.71 H new ATOM 0 HE3 MET A 84 -7.008 -22.189 -7.022 1.00 2.71 H new ATOM 792 N ARG A 85 -12.694 -17.965 -6.438 1.00 0.91 N ATOM 793 CA ARG A 85 -13.951 -17.273 -6.738 1.00 0.92 C ATOM 794 C ARG A 85 -14.147 -16.071 -5.822 1.00 0.87 C ATOM 795 O ARG A 85 -15.045 -15.255 -6.030 1.00 1.16 O ATOM 796 CB ARG A 85 -15.134 -18.232 -6.592 1.00 1.03 C ATOM 797 CG ARG A 85 -15.315 -18.765 -5.180 1.00 1.44 C ATOM 798 CD ARG A 85 -16.568 -19.617 -5.062 1.00 1.51 C ATOM 799 NE ARG A 85 -16.758 -20.127 -3.706 1.00 1.72 N ATOM 800 CZ ARG A 85 -17.699 -21.004 -3.373 1.00 1.89 C ATOM 801 NH1 ARG A 85 -18.533 -21.469 -4.294 1.00 1.65 N ATOM 802 NH2 ARG A 85 -17.808 -21.419 -2.118 1.00 2.78 N ATOM 0 H ARG A 85 -12.804 -18.949 -6.191 1.00 0.91 H new ATOM 0 HA ARG A 85 -13.900 -16.919 -7.768 1.00 0.92 H new ATOM 0 HB2 ARG A 85 -16.046 -17.719 -6.898 1.00 1.03 H new ATOM 0 HB3 ARG A 85 -14.997 -19.072 -7.273 1.00 1.03 H new ATOM 0 HG2 ARG A 85 -14.444 -19.357 -4.899 1.00 1.44 H new ATOM 0 HG3 ARG A 85 -15.373 -17.931 -4.480 1.00 1.44 H new ATOM 0 HD2 ARG A 85 -17.437 -19.026 -5.352 1.00 1.51 H new ATOM 0 HD3 ARG A 85 -16.505 -20.453 -5.758 1.00 1.51 H new ATOM 0 HE ARG A 85 -16.133 -19.791 -2.974 1.00 1.72 H new ATOM 0 HH11 ARG A 85 -18.453 -21.153 -5.261 1.00 1.65 H new ATOM 0 HH12 ARG A 85 -19.254 -22.142 -4.035 1.00 1.65 H new ATOM 0 HH21 ARG A 85 -17.169 -21.065 -1.406 1.00 2.78 H new ATOM 0 HH22 ARG A 85 -18.531 -22.092 -1.864 1.00 2.78 H new ATOM 816 N ASN A 86 -13.297 -15.973 -4.811 1.00 0.63 N ATOM 817 CA ASN A 86 -13.356 -14.886 -3.850 1.00 0.62 C ATOM 818 C ASN A 86 -12.194 -13.932 -4.066 1.00 0.53 C ATOM 819 O ASN A 86 -12.223 -12.787 -3.613 1.00 0.53 O ATOM 820 CB ASN A 86 -13.315 -15.458 -2.436 1.00 0.78 C ATOM 821 CG ASN A 86 -13.843 -16.880 -2.387 1.00 1.65 C ATOM 822 OD1 ASN A 86 -13.125 -17.799 -3.031 1.00 2.49 O flip ATOM 823 ND2 ASN A 86 -14.887 -17.148 -1.790 1.00 1.68 N flip ATOM 0 H ASN A 86 -12.549 -16.644 -4.635 1.00 0.63 H new ATOM 0 HA ASN A 86 -14.285 -14.333 -3.987 1.00 0.62 H new ATOM 0 HB2 ASN A 86 -12.290 -15.438 -2.066 1.00 0.78 H new ATOM 0 HB3 ASN A 86 -13.906 -14.828 -1.772 1.00 0.78 H new ATOM 0 HD21 ASN A 86 -15.404 -16.411 -1.310 1.00 1.68 H new ATOM 0 HD22 ASN A 86 -15.234 -18.107 -1.775 1.00 1.68 H new ATOM 830 N LYS A 87 -11.161 -14.418 -4.753 1.00 0.53 N ATOM 831 CA LYS A 87 -9.993 -13.603 -5.048 1.00 0.56 C ATOM 832 C LYS A 87 -10.434 -12.303 -5.697 1.00 0.45 C ATOM 833 O LYS A 87 -9.887 -11.238 -5.428 1.00 0.40 O ATOM 834 CB LYS A 87 -9.029 -14.359 -5.951 1.00 0.71 C ATOM 835 CG LYS A 87 -9.293 -14.219 -7.433 1.00 1.06 C ATOM 836 CD LYS A 87 -8.885 -15.480 -8.120 1.00 1.59 C ATOM 837 CE LYS A 87 -7.508 -15.358 -8.730 1.00 1.84 C ATOM 838 NZ LYS A 87 -6.498 -14.885 -7.744 1.00 2.28 N ATOM 0 H LYS A 87 -11.113 -15.371 -5.113 1.00 0.53 H new ATOM 0 HA LYS A 87 -9.470 -13.375 -4.119 1.00 0.56 H new ATOM 0 HB2 LYS A 87 -8.016 -14.014 -5.744 1.00 0.71 H new ATOM 0 HB3 LYS A 87 -9.065 -15.417 -5.690 1.00 0.71 H new ATOM 0 HG2 LYS A 87 -10.350 -14.019 -7.610 1.00 1.06 H new ATOM 0 HG3 LYS A 87 -8.736 -13.373 -7.836 1.00 1.06 H new ATOM 0 HD2 LYS A 87 -8.896 -16.304 -7.407 1.00 1.59 H new ATOM 0 HD3 LYS A 87 -9.609 -15.722 -8.898 1.00 1.59 H new ATOM 0 HE2 LYS A 87 -7.201 -16.326 -9.127 1.00 1.84 H new ATOM 0 HE3 LYS A 87 -7.545 -14.666 -9.571 1.00 1.84 H new ATOM 0 HZ1 LYS A 87 -5.544 -15.008 -8.138 1.00 2.28 H new ATOM 0 HZ2 LYS A 87 -6.660 -13.879 -7.537 1.00 2.28 H new ATOM 0 HZ3 LYS A 87 -6.584 -15.437 -6.867 1.00 2.28 H new ATOM 852 N PHE A 88 -11.438 -12.422 -6.553 1.00 0.43 N ATOM 853 CA PHE A 88 -11.999 -11.272 -7.243 1.00 0.38 C ATOM 854 C PHE A 88 -12.484 -10.241 -6.229 1.00 0.31 C ATOM 855 O PHE A 88 -12.255 -9.047 -6.383 1.00 0.29 O ATOM 856 CB PHE A 88 -13.148 -11.697 -8.160 1.00 0.41 C ATOM 857 CG PHE A 88 -12.699 -12.469 -9.368 1.00 1.01 C ATOM 858 CD1 PHE A 88 -12.574 -13.849 -9.322 1.00 1.34 C ATOM 859 CD2 PHE A 88 -12.396 -11.812 -10.551 1.00 1.44 C ATOM 860 CE1 PHE A 88 -12.160 -14.559 -10.432 1.00 2.07 C ATOM 861 CE2 PHE A 88 -11.980 -12.518 -11.665 1.00 2.19 C ATOM 862 CZ PHE A 88 -11.861 -13.893 -11.605 1.00 2.49 C ATOM 0 H PHE A 88 -11.883 -13.310 -6.787 1.00 0.43 H new ATOM 0 HA PHE A 88 -11.220 -10.824 -7.859 1.00 0.38 H new ATOM 0 HB2 PHE A 88 -13.850 -12.306 -7.590 1.00 0.41 H new ATOM 0 HB3 PHE A 88 -13.688 -10.809 -8.487 1.00 0.41 H new ATOM 0 HD1 PHE A 88 -12.803 -14.375 -8.407 1.00 1.34 H new ATOM 0 HD2 PHE A 88 -12.486 -10.737 -10.603 1.00 1.44 H new ATOM 0 HE1 PHE A 88 -12.070 -15.634 -10.383 1.00 2.07 H new ATOM 0 HE2 PHE A 88 -11.748 -11.995 -12.581 1.00 2.19 H new ATOM 0 HZ PHE A 88 -11.535 -14.446 -12.473 1.00 2.49 H new ATOM 872 N ALA A 89 -13.142 -10.715 -5.179 1.00 0.31 N ATOM 873 CA ALA A 89 -13.651 -9.831 -4.139 1.00 0.29 C ATOM 874 C ALA A 89 -12.566 -8.870 -3.649 1.00 0.26 C ATOM 875 O ALA A 89 -12.710 -7.650 -3.750 1.00 0.27 O ATOM 876 CB ALA A 89 -14.202 -10.648 -2.979 1.00 0.35 C ATOM 0 H ALA A 89 -13.335 -11.705 -5.025 1.00 0.31 H new ATOM 0 HA ALA A 89 -14.457 -9.234 -4.566 1.00 0.29 H new ATOM 0 HB1 ALA A 89 -14.580 -9.976 -2.208 1.00 0.35 H new ATOM 0 HB2 ALA A 89 -15.012 -11.284 -3.335 1.00 0.35 H new ATOM 0 HB3 ALA A 89 -13.409 -11.269 -2.563 1.00 0.35 H new ATOM 882 N PHE A 90 -11.469 -9.428 -3.141 1.00 0.24 N ATOM 883 CA PHE A 90 -10.360 -8.629 -2.622 1.00 0.24 C ATOM 884 C PHE A 90 -9.604 -7.915 -3.735 1.00 0.21 C ATOM 885 O PHE A 90 -9.307 -6.730 -3.627 1.00 0.22 O ATOM 886 CB PHE A 90 -9.387 -9.530 -1.855 1.00 0.26 C ATOM 887 CG PHE A 90 -8.193 -8.804 -1.298 1.00 0.23 C ATOM 888 CD1 PHE A 90 -8.263 -8.177 -0.065 1.00 0.28 C ATOM 889 CD2 PHE A 90 -7.001 -8.751 -2.004 1.00 0.27 C ATOM 890 CE1 PHE A 90 -7.170 -7.515 0.455 1.00 0.27 C ATOM 891 CE2 PHE A 90 -5.902 -8.086 -1.487 1.00 0.28 C ATOM 892 CZ PHE A 90 -5.982 -7.457 -0.283 1.00 0.23 C ATOM 0 H PHE A 90 -11.324 -10.436 -3.077 1.00 0.24 H new ATOM 0 HA PHE A 90 -10.783 -7.874 -1.959 1.00 0.24 H new ATOM 0 HB2 PHE A 90 -9.922 -10.011 -1.036 1.00 0.26 H new ATOM 0 HB3 PHE A 90 -9.041 -10.322 -2.519 1.00 0.26 H new ATOM 0 HD1 PHE A 90 -9.185 -8.207 0.497 1.00 0.28 H new ATOM 0 HD2 PHE A 90 -6.929 -9.234 -2.968 1.00 0.27 H new ATOM 0 HE1 PHE A 90 -7.231 -7.045 1.425 1.00 0.27 H new ATOM 0 HE2 PHE A 90 -4.976 -8.066 -2.043 1.00 0.28 H new ATOM 0 HZ PHE A 90 -5.131 -6.915 0.102 1.00 0.23 H new ATOM 902 N ARG A 91 -9.308 -8.639 -4.804 1.00 0.19 N ATOM 903 CA ARG A 91 -8.548 -8.085 -5.922 1.00 0.21 C ATOM 904 C ARG A 91 -9.224 -6.839 -6.496 1.00 0.20 C ATOM 905 O ARG A 91 -8.655 -5.752 -6.464 1.00 0.19 O ATOM 906 CB ARG A 91 -8.356 -9.134 -7.009 1.00 0.25 C ATOM 907 CG ARG A 91 -6.955 -9.133 -7.591 1.00 0.34 C ATOM 908 CD ARG A 91 -6.885 -9.995 -8.831 1.00 1.15 C ATOM 909 NE ARG A 91 -7.666 -9.435 -9.931 1.00 1.75 N ATOM 910 CZ ARG A 91 -8.327 -10.171 -10.820 1.00 2.52 C ATOM 911 NH1 ARG A 91 -8.305 -11.496 -10.736 1.00 2.91 N ATOM 912 NH2 ARG A 91 -9.013 -9.584 -11.791 1.00 3.34 N ATOM 0 H ARG A 91 -9.582 -9.614 -4.924 1.00 0.19 H new ATOM 0 HA ARG A 91 -7.570 -7.789 -5.543 1.00 0.21 H new ATOM 0 HB2 ARG A 91 -8.572 -10.120 -6.597 1.00 0.25 H new ATOM 0 HB3 ARG A 91 -9.076 -8.957 -7.808 1.00 0.25 H new ATOM 0 HG2 ARG A 91 -6.659 -8.113 -7.835 1.00 0.34 H new ATOM 0 HG3 ARG A 91 -6.248 -9.500 -6.847 1.00 0.34 H new ATOM 0 HD2 ARG A 91 -5.845 -10.100 -9.141 1.00 1.15 H new ATOM 0 HD3 ARG A 91 -7.251 -10.995 -8.599 1.00 1.15 H new ATOM 0 HE ARG A 91 -7.707 -8.420 -10.023 1.00 1.75 H new ATOM 0 HH11 ARG A 91 -7.781 -11.951 -9.989 1.00 2.91 H new ATOM 0 HH12 ARG A 91 -8.813 -12.059 -11.419 1.00 2.91 H new ATOM 0 HH21 ARG A 91 -9.034 -8.566 -11.857 1.00 3.34 H new ATOM 0 HH22 ARG A 91 -9.519 -10.150 -12.472 1.00 3.34 H new ATOM 926 N GLU A 92 -10.429 -7.002 -7.039 1.00 0.25 N ATOM 927 CA GLU A 92 -11.167 -5.864 -7.592 1.00 0.27 C ATOM 928 C GLU A 92 -11.280 -4.779 -6.538 1.00 0.26 C ATOM 929 O GLU A 92 -11.252 -3.590 -6.849 1.00 0.25 O ATOM 930 CB GLU A 92 -12.557 -6.290 -8.053 1.00 0.32 C ATOM 931 CG GLU A 92 -12.547 -7.594 -8.814 1.00 1.17 C ATOM 932 CD GLU A 92 -11.866 -7.481 -10.165 1.00 1.97 C ATOM 933 OE1 GLU A 92 -12.562 -7.174 -11.156 1.00 2.25 O ATOM 934 OE2 GLU A 92 -10.639 -7.702 -10.232 1.00 2.58 O ATOM 0 H GLU A 92 -10.912 -7.898 -7.109 1.00 0.25 H new ATOM 0 HA GLU A 92 -10.626 -5.481 -8.457 1.00 0.27 H new ATOM 0 HB2 GLU A 92 -13.209 -6.386 -7.185 1.00 0.32 H new ATOM 0 HB3 GLU A 92 -12.980 -5.509 -8.685 1.00 0.32 H new ATOM 0 HG2 GLU A 92 -12.039 -8.353 -8.219 1.00 1.17 H new ATOM 0 HG3 GLU A 92 -13.573 -7.934 -8.957 1.00 1.17 H new ATOM 941 N ALA A 93 -11.410 -5.201 -5.286 1.00 0.26 N ATOM 942 CA ALA A 93 -11.487 -4.249 -4.181 1.00 0.26 C ATOM 943 C ALA A 93 -10.238 -3.373 -4.196 1.00 0.23 C ATOM 944 O ALA A 93 -10.295 -2.161 -3.968 1.00 0.22 O ATOM 945 CB ALA A 93 -11.631 -4.968 -2.848 1.00 0.29 C ATOM 0 H ALA A 93 -11.464 -6.182 -5.011 1.00 0.26 H new ATOM 0 HA ALA A 93 -12.371 -3.623 -4.306 1.00 0.26 H new ATOM 0 HB1 ALA A 93 -11.686 -4.235 -2.043 1.00 0.29 H new ATOM 0 HB2 ALA A 93 -12.541 -5.568 -2.855 1.00 0.29 H new ATOM 0 HB3 ALA A 93 -10.770 -5.617 -2.690 1.00 0.29 H new ATOM 951 N ILE A 94 -9.104 -4.010 -4.478 1.00 0.21 N ATOM 952 CA ILE A 94 -7.833 -3.313 -4.577 1.00 0.20 C ATOM 953 C ILE A 94 -7.920 -2.278 -5.681 1.00 0.19 C ATOM 954 O ILE A 94 -7.399 -1.167 -5.569 1.00 0.20 O ATOM 955 CB ILE A 94 -6.692 -4.279 -4.931 1.00 0.20 C ATOM 956 CG1 ILE A 94 -6.593 -5.408 -3.917 1.00 0.23 C ATOM 957 CG2 ILE A 94 -5.380 -3.540 -5.027 1.00 0.22 C ATOM 958 CD1 ILE A 94 -5.739 -6.553 -4.405 1.00 0.24 C ATOM 0 H ILE A 94 -9.044 -5.015 -4.642 1.00 0.21 H new ATOM 0 HA ILE A 94 -7.628 -2.851 -3.611 1.00 0.20 H new ATOM 0 HB ILE A 94 -6.916 -4.718 -5.903 1.00 0.20 H new ATOM 0 HG12 ILE A 94 -6.178 -5.021 -2.987 1.00 0.23 H new ATOM 0 HG13 ILE A 94 -7.593 -5.777 -3.690 1.00 0.23 H new ATOM 0 HG21 ILE A 94 -4.585 -4.242 -5.278 1.00 0.22 H new ATOM 0 HG22 ILE A 94 -5.448 -2.776 -5.802 1.00 0.22 H new ATOM 0 HG23 ILE A 94 -5.158 -3.067 -4.070 1.00 0.22 H new ATOM 0 HD11 ILE A 94 -5.703 -7.331 -3.642 1.00 0.24 H new ATOM 0 HD12 ILE A 94 -6.167 -6.962 -5.320 1.00 0.24 H new ATOM 0 HD13 ILE A 94 -4.729 -6.194 -4.606 1.00 0.24 H new ATOM 970 N ASN A 95 -8.599 -2.671 -6.751 1.00 0.20 N ATOM 971 CA ASN A 95 -8.787 -1.812 -7.902 1.00 0.21 C ATOM 972 C ASN A 95 -9.598 -0.587 -7.502 1.00 0.21 C ATOM 973 O ASN A 95 -9.387 0.507 -8.025 1.00 0.25 O ATOM 974 CB ASN A 95 -9.486 -2.595 -9.019 1.00 0.23 C ATOM 975 CG ASN A 95 -10.594 -1.808 -9.680 1.00 0.26 C ATOM 976 OD1 ASN A 95 -11.731 -1.748 -9.009 1.00 0.33 O flip ATOM 977 ND2 ASN A 95 -10.424 -1.252 -10.766 1.00 0.24 N flip ATOM 0 H ASN A 95 -9.031 -3.591 -6.841 1.00 0.20 H new ATOM 0 HA ASN A 95 -7.819 -1.475 -8.272 1.00 0.21 H new ATOM 0 HB2 ASN A 95 -8.751 -2.881 -9.771 1.00 0.23 H new ATOM 0 HB3 ASN A 95 -9.897 -3.517 -8.608 1.00 0.23 H new ATOM 0 HD21 ASN A 95 -9.526 -1.329 -11.244 1.00 0.24 H new ATOM 0 HD22 ASN A 95 -11.181 -0.714 -11.188 1.00 0.24 H new ATOM 984 N LYS A 96 -10.535 -0.779 -6.570 1.00 0.20 N ATOM 985 CA LYS A 96 -11.357 0.319 -6.086 1.00 0.20 C ATOM 986 C LYS A 96 -10.468 1.398 -5.486 1.00 0.19 C ATOM 987 O LYS A 96 -10.656 2.585 -5.749 1.00 0.20 O ATOM 988 CB LYS A 96 -12.369 -0.165 -5.045 1.00 0.24 C ATOM 989 CG LYS A 96 -13.707 -0.564 -5.640 1.00 0.34 C ATOM 990 CD LYS A 96 -13.621 -1.888 -6.373 1.00 0.76 C ATOM 991 CE LYS A 96 -14.859 -2.137 -7.217 1.00 0.75 C ATOM 992 NZ LYS A 96 -14.804 -3.452 -7.913 1.00 1.64 N ATOM 0 H LYS A 96 -10.738 -1.682 -6.141 1.00 0.20 H new ATOM 0 HA LYS A 96 -11.912 0.730 -6.929 1.00 0.20 H new ATOM 0 HB2 LYS A 96 -11.949 -1.018 -4.511 1.00 0.24 H new ATOM 0 HB3 LYS A 96 -12.528 0.624 -4.310 1.00 0.24 H new ATOM 0 HG2 LYS A 96 -14.452 -0.635 -4.847 1.00 0.34 H new ATOM 0 HG3 LYS A 96 -14.046 0.211 -6.327 1.00 0.34 H new ATOM 0 HD2 LYS A 96 -12.737 -1.896 -7.011 1.00 0.76 H new ATOM 0 HD3 LYS A 96 -13.501 -2.697 -5.653 1.00 0.76 H new ATOM 0 HE2 LYS A 96 -15.744 -2.100 -6.582 1.00 0.75 H new ATOM 0 HE3 LYS A 96 -14.962 -1.341 -7.954 1.00 0.75 H new ATOM 0 HZ1 LYS A 96 -15.668 -3.582 -8.478 1.00 1.64 H new ATOM 0 HZ2 LYS A 96 -13.974 -3.479 -8.539 1.00 1.64 H new ATOM 0 HZ3 LYS A 96 -14.732 -4.214 -7.209 1.00 1.64 H new ATOM 1006 N LEU A 97 -9.497 0.980 -4.672 1.00 0.21 N ATOM 1007 CA LEU A 97 -8.573 1.930 -4.063 1.00 0.22 C ATOM 1008 C LEU A 97 -7.735 2.612 -5.134 1.00 0.21 C ATOM 1009 O LEU A 97 -7.369 3.773 -4.999 1.00 0.25 O ATOM 1010 CB LEU A 97 -7.639 1.253 -3.056 1.00 0.25 C ATOM 1011 CG LEU A 97 -6.576 2.188 -2.466 1.00 0.38 C ATOM 1012 CD1 LEU A 97 -7.208 3.157 -1.489 1.00 0.52 C ATOM 1013 CD2 LEU A 97 -5.467 1.407 -1.784 1.00 0.62 C ATOM 0 H LEU A 97 -9.333 0.004 -4.424 1.00 0.21 H new ATOM 0 HA LEU A 97 -9.176 2.667 -3.533 1.00 0.22 H new ATOM 0 HB2 LEU A 97 -8.236 0.839 -2.243 1.00 0.25 H new ATOM 0 HB3 LEU A 97 -7.141 0.415 -3.544 1.00 0.25 H new ATOM 0 HG LEU A 97 -6.135 2.750 -3.290 1.00 0.38 H new ATOM 0 HD11 LEU A 97 -6.440 3.813 -1.079 1.00 0.52 H new ATOM 0 HD12 LEU A 97 -7.959 3.755 -2.004 1.00 0.52 H new ATOM 0 HD13 LEU A 97 -7.680 2.601 -0.679 1.00 0.52 H new ATOM 0 HD21 LEU A 97 -4.731 2.100 -1.377 1.00 0.62 H new ATOM 0 HD22 LEU A 97 -5.887 0.809 -0.976 1.00 0.62 H new ATOM 0 HD23 LEU A 97 -4.985 0.751 -2.509 1.00 0.62 H new ATOM 1025 N GLU A 98 -7.458 1.888 -6.211 1.00 0.18 N ATOM 1026 CA GLU A 98 -6.654 2.427 -7.301 1.00 0.19 C ATOM 1027 C GLU A 98 -7.289 3.704 -7.842 1.00 0.17 C ATOM 1028 O GLU A 98 -6.631 4.738 -7.957 1.00 0.20 O ATOM 1029 CB GLU A 98 -6.516 1.392 -8.419 1.00 0.21 C ATOM 1030 CG GLU A 98 -5.381 1.684 -9.387 1.00 0.27 C ATOM 1031 CD GLU A 98 -5.679 2.852 -10.305 1.00 0.88 C ATOM 1032 OE1 GLU A 98 -6.473 2.675 -11.252 1.00 1.87 O ATOM 1033 OE2 GLU A 98 -5.120 3.945 -10.074 1.00 0.96 O ATOM 0 H GLU A 98 -7.777 0.930 -6.353 1.00 0.18 H new ATOM 0 HA GLU A 98 -5.661 2.664 -6.919 1.00 0.19 H new ATOM 0 HB2 GLU A 98 -6.359 0.409 -7.975 1.00 0.21 H new ATOM 0 HB3 GLU A 98 -7.452 1.344 -8.975 1.00 0.21 H new ATOM 0 HG2 GLU A 98 -4.473 1.894 -8.822 1.00 0.27 H new ATOM 0 HG3 GLU A 98 -5.184 0.796 -9.988 1.00 0.27 H new ATOM 1040 N ASN A 99 -8.578 3.625 -8.161 1.00 0.16 N ATOM 1041 CA ASN A 99 -9.309 4.772 -8.686 1.00 0.17 C ATOM 1042 C ASN A 99 -9.567 5.805 -7.591 1.00 0.21 C ATOM 1043 O ASN A 99 -9.527 7.005 -7.852 1.00 0.44 O ATOM 1044 CB ASN A 99 -10.633 4.325 -9.309 1.00 0.22 C ATOM 1045 CG ASN A 99 -10.430 3.456 -10.536 1.00 1.00 C ATOM 1046 OD1 ASN A 99 -10.357 3.954 -11.659 1.00 2.12 O ATOM 1047 ND2 ASN A 99 -10.339 2.149 -10.326 1.00 0.62 N ATOM 0 H ASN A 99 -9.137 2.777 -8.065 1.00 0.16 H new ATOM 0 HA ASN A 99 -8.695 5.236 -9.458 1.00 0.17 H new ATOM 0 HB2 ASN A 99 -11.212 3.774 -8.568 1.00 0.22 H new ATOM 0 HB3 ASN A 99 -11.218 5.203 -9.582 1.00 0.22 H new ATOM 0 HD21 ASN A 99 -10.203 1.514 -11.113 1.00 0.62 H new ATOM 0 HD22 ASN A 99 -10.405 1.779 -9.378 1.00 0.62 H new ATOM 1054 N ASN A 100 -9.858 5.344 -6.373 1.00 0.17 N ATOM 1055 CA ASN A 100 -10.095 6.250 -5.261 1.00 0.16 C ATOM 1056 C ASN A 100 -8.961 7.259 -5.178 1.00 0.16 C ATOM 1057 O ASN A 100 -9.186 8.458 -5.021 1.00 0.21 O ATOM 1058 CB ASN A 100 -10.208 5.460 -3.957 1.00 0.19 C ATOM 1059 CG ASN A 100 -9.454 6.113 -2.823 1.00 0.18 C ATOM 1060 OD1 ASN A 100 -10.013 6.894 -2.053 1.00 0.26 O ATOM 1061 ND2 ASN A 100 -8.172 5.795 -2.722 1.00 0.21 N ATOM 0 H ASN A 100 -9.934 4.354 -6.138 1.00 0.17 H new ATOM 0 HA ASN A 100 -11.032 6.784 -5.421 1.00 0.16 H new ATOM 0 HB2 ASN A 100 -11.259 5.363 -3.683 1.00 0.19 H new ATOM 0 HB3 ASN A 100 -9.825 4.451 -4.112 1.00 0.19 H new ATOM 0 HD21 ASN A 100 -7.602 6.203 -1.981 1.00 0.21 H new ATOM 0 HD22 ASN A 100 -7.755 5.142 -3.385 1.00 0.21 H new ATOM 1068 N LEU A 101 -7.739 6.752 -5.292 1.00 0.19 N ATOM 1069 CA LEU A 101 -6.556 7.594 -5.260 1.00 0.25 C ATOM 1070 C LEU A 101 -6.541 8.483 -6.500 1.00 0.23 C ATOM 1071 O LEU A 101 -6.174 9.654 -6.441 1.00 0.25 O ATOM 1072 CB LEU A 101 -5.297 6.724 -5.209 1.00 0.32 C ATOM 1073 CG LEU A 101 -5.311 5.611 -4.154 1.00 0.42 C ATOM 1074 CD1 LEU A 101 -4.381 4.482 -4.559 1.00 0.32 C ATOM 1075 CD2 LEU A 101 -4.922 6.153 -2.790 1.00 0.58 C ATOM 0 H LEU A 101 -7.544 5.757 -5.408 1.00 0.19 H new ATOM 0 HA LEU A 101 -6.576 8.222 -4.369 1.00 0.25 H new ATOM 0 HB2 LEU A 101 -5.149 6.271 -6.189 1.00 0.32 H new ATOM 0 HB3 LEU A 101 -4.438 7.368 -5.022 1.00 0.32 H new ATOM 0 HG LEU A 101 -6.326 5.219 -4.089 1.00 0.42 H new ATOM 0 HD11 LEU A 101 -4.404 3.701 -3.799 1.00 0.32 H new ATOM 0 HD12 LEU A 101 -4.705 4.068 -5.514 1.00 0.32 H new ATOM 0 HD13 LEU A 101 -3.365 4.865 -4.656 1.00 0.32 H new ATOM 0 HD21 LEU A 101 -4.939 5.345 -2.059 1.00 0.58 H new ATOM 0 HD22 LEU A 101 -3.919 6.576 -2.839 1.00 0.58 H new ATOM 0 HD23 LEU A 101 -5.628 6.928 -2.491 1.00 0.58 H new ATOM 1087 N ARG A 102 -6.953 7.902 -7.625 1.00 0.22 N ATOM 1088 CA ARG A 102 -7.017 8.619 -8.899 1.00 0.23 C ATOM 1089 C ARG A 102 -7.913 9.852 -8.795 1.00 0.24 C ATOM 1090 O ARG A 102 -7.689 10.860 -9.464 1.00 0.34 O ATOM 1091 CB ARG A 102 -7.548 7.694 -9.994 1.00 0.25 C ATOM 1092 CG ARG A 102 -6.519 6.710 -10.523 1.00 0.29 C ATOM 1093 CD ARG A 102 -6.921 6.154 -11.879 1.00 0.38 C ATOM 1094 NE ARG A 102 -5.895 5.275 -12.436 1.00 0.97 N ATOM 1095 CZ ARG A 102 -5.138 5.592 -13.482 1.00 1.26 C ATOM 1096 NH1 ARG A 102 -5.286 6.765 -14.083 1.00 1.25 N ATOM 1097 NH2 ARG A 102 -4.229 4.735 -13.926 1.00 2.09 N ATOM 0 H ARG A 102 -7.250 6.928 -7.681 1.00 0.22 H new ATOM 0 HA ARG A 102 -6.008 8.945 -9.151 1.00 0.23 H new ATOM 0 HB2 ARG A 102 -8.401 7.138 -9.604 1.00 0.25 H new ATOM 0 HB3 ARG A 102 -7.915 8.301 -10.822 1.00 0.25 H new ATOM 0 HG2 ARG A 102 -5.551 7.204 -10.604 1.00 0.29 H new ATOM 0 HG3 ARG A 102 -6.400 5.891 -9.814 1.00 0.29 H new ATOM 0 HD2 ARG A 102 -7.857 5.603 -11.782 1.00 0.38 H new ATOM 0 HD3 ARG A 102 -7.106 6.978 -12.568 1.00 0.38 H new ATOM 0 HE ARG A 102 -5.751 4.366 -11.997 1.00 0.97 H new ATOM 0 HH11 ARG A 102 -5.983 7.428 -13.743 1.00 1.25 H new ATOM 0 HH12 ARG A 102 -4.703 7.004 -14.885 1.00 1.25 H new ATOM 0 HH21 ARG A 102 -4.111 3.833 -13.465 1.00 2.09 H new ATOM 0 HH22 ARG A 102 -3.648 4.978 -14.728 1.00 2.09 H new ATOM 1111 N GLU A 103 -8.966 9.747 -8.013 1.00 0.24 N ATOM 1112 CA GLU A 103 -9.863 10.873 -7.802 1.00 0.24 C ATOM 1113 C GLU A 103 -9.363 11.723 -6.634 1.00 0.24 C ATOM 1114 O GLU A 103 -9.741 12.886 -6.484 1.00 0.25 O ATOM 1115 CB GLU A 103 -11.287 10.377 -7.531 1.00 0.26 C ATOM 1116 CG GLU A 103 -12.301 11.496 -7.351 1.00 0.34 C ATOM 1117 CD GLU A 103 -13.709 10.977 -7.133 1.00 1.36 C ATOM 1118 OE1 GLU A 103 -14.034 10.607 -5.985 1.00 2.32 O ATOM 1119 OE2 GLU A 103 -14.486 10.944 -8.109 1.00 1.82 O ATOM 0 H GLU A 103 -9.225 8.897 -7.512 1.00 0.24 H new ATOM 0 HA GLU A 103 -9.879 11.486 -8.703 1.00 0.24 H new ATOM 0 HB2 GLU A 103 -11.604 9.741 -8.358 1.00 0.26 H new ATOM 0 HB3 GLU A 103 -11.282 9.756 -6.635 1.00 0.26 H new ATOM 0 HG2 GLU A 103 -12.009 12.112 -6.501 1.00 0.34 H new ATOM 0 HG3 GLU A 103 -12.287 12.139 -8.231 1.00 0.34 H new ATOM 1126 N LEU A 104 -8.500 11.122 -5.816 1.00 0.24 N ATOM 1127 CA LEU A 104 -7.948 11.765 -4.628 1.00 0.25 C ATOM 1128 C LEU A 104 -6.781 12.700 -4.913 1.00 0.29 C ATOM 1129 O LEU A 104 -6.635 13.726 -4.250 1.00 0.31 O ATOM 1130 CB LEU A 104 -7.459 10.682 -3.687 1.00 0.24 C ATOM 1131 CG LEU A 104 -7.272 11.107 -2.234 1.00 0.24 C ATOM 1132 CD1 LEU A 104 -8.603 11.473 -1.592 1.00 0.29 C ATOM 1133 CD2 LEU A 104 -6.590 9.999 -1.456 1.00 0.24 C ATOM 0 H LEU A 104 -8.163 10.170 -5.961 1.00 0.24 H new ATOM 0 HA LEU A 104 -8.746 12.372 -4.201 1.00 0.25 H new ATOM 0 HB2 LEU A 104 -8.167 9.853 -3.716 1.00 0.24 H new ATOM 0 HB3 LEU A 104 -6.508 10.303 -4.061 1.00 0.24 H new ATOM 0 HG LEU A 104 -6.640 11.995 -2.214 1.00 0.24 H new ATOM 0 HD11 LEU A 104 -8.438 11.772 -0.557 1.00 0.29 H new ATOM 0 HD12 LEU A 104 -9.056 12.299 -2.140 1.00 0.29 H new ATOM 0 HD13 LEU A 104 -9.269 10.611 -1.619 1.00 0.29 H new ATOM 0 HD21 LEU A 104 -6.460 10.309 -0.419 1.00 0.24 H new ATOM 0 HD22 LEU A 104 -7.204 9.099 -1.491 1.00 0.24 H new ATOM 0 HD23 LEU A 104 -5.615 9.791 -1.898 1.00 0.24 H new ATOM 1145 N GLN A 105 -5.958 12.361 -5.894 1.00 0.40 N ATOM 1146 CA GLN A 105 -4.785 13.187 -6.187 1.00 0.51 C ATOM 1147 C GLN A 105 -5.203 14.480 -6.878 1.00 0.45 C ATOM 1148 O GLN A 105 -6.337 14.603 -7.343 1.00 1.00 O ATOM 1149 CB GLN A 105 -3.725 12.413 -6.998 1.00 0.86 C ATOM 1150 CG GLN A 105 -3.648 12.749 -8.482 1.00 0.44 C ATOM 1151 CD GLN A 105 -4.414 11.776 -9.336 1.00 1.31 C ATOM 1152 OE1 GLN A 105 -5.445 11.192 -8.765 1.00 2.04 O flip ATOM 1153 NE2 GLN A 105 -4.077 11.548 -10.498 1.00 1.38 N flip ATOM 0 H GLN A 105 -6.071 11.541 -6.491 1.00 0.40 H new ATOM 0 HA GLN A 105 -4.313 13.451 -5.241 1.00 0.51 H new ATOM 0 HB2 GLN A 105 -2.748 12.598 -6.552 1.00 0.86 H new ATOM 0 HB3 GLN A 105 -3.925 11.346 -6.896 1.00 0.86 H new ATOM 0 HG2 GLN A 105 -4.038 13.754 -8.644 1.00 0.44 H new ATOM 0 HG3 GLN A 105 -2.604 12.758 -8.795 1.00 0.44 H new ATOM 0 HE21 GLN A 105 -3.269 12.026 -10.898 1.00 1.38 H new ATOM 0 HE22 GLN A 105 -4.605 10.881 -11.061 1.00 1.38 H new ATOM 1162 N ILE A 106 -4.283 15.441 -6.927 1.00 0.92 N ATOM 1163 CA ILE A 106 -4.546 16.747 -7.526 1.00 1.05 C ATOM 1164 C ILE A 106 -5.450 16.659 -8.757 1.00 1.14 C ATOM 1165 O ILE A 106 -6.633 16.991 -8.680 1.00 1.10 O ATOM 1166 CB ILE A 106 -3.227 17.481 -7.878 1.00 1.36 C ATOM 1167 CG1 ILE A 106 -3.486 18.661 -8.822 1.00 1.47 C ATOM 1168 CG2 ILE A 106 -2.215 16.519 -8.483 1.00 1.69 C ATOM 1169 CD1 ILE A 106 -4.454 19.682 -8.266 1.00 1.68 C ATOM 0 H ILE A 106 -3.339 15.337 -6.555 1.00 0.92 H new ATOM 0 HA ILE A 106 -5.079 17.326 -6.772 1.00 1.05 H new ATOM 0 HB ILE A 106 -2.809 17.877 -6.952 1.00 1.36 H new ATOM 0 HG12 ILE A 106 -2.539 19.153 -9.042 1.00 1.47 H new ATOM 0 HG13 ILE A 106 -3.875 18.281 -9.767 1.00 1.47 H new ATOM 0 HG21 ILE A 106 -1.298 17.058 -8.721 1.00 1.69 H new ATOM 0 HG22 ILE A 106 -1.994 15.726 -7.768 1.00 1.69 H new ATOM 0 HG23 ILE A 106 -2.627 16.083 -9.393 1.00 1.69 H new ATOM 0 HD11 ILE A 106 -4.588 20.487 -8.988 1.00 1.68 H new ATOM 0 HD12 ILE A 106 -5.415 19.205 -8.072 1.00 1.68 H new ATOM 0 HD13 ILE A 106 -4.058 20.091 -7.337 1.00 1.68 H new ATOM 1181 N CYS A 107 -4.897 16.214 -9.881 1.00 1.38 N ATOM 1182 CA CYS A 107 -5.663 16.108 -11.123 1.00 1.64 C ATOM 1183 C CYS A 107 -6.129 17.492 -11.585 1.00 1.77 C ATOM 1184 O CYS A 107 -6.331 18.388 -10.764 1.00 1.96 O ATOM 1185 CB CYS A 107 -6.859 15.166 -10.934 1.00 2.06 C ATOM 1186 SG CYS A 107 -8.318 15.584 -11.918 1.00 2.44 S ATOM 0 H CYS A 107 -3.923 15.921 -9.960 1.00 1.38 H new ATOM 0 HA CYS A 107 -5.017 15.691 -11.896 1.00 1.64 H new ATOM 0 HB2 CYS A 107 -6.548 14.152 -11.185 1.00 2.06 H new ATOM 0 HB3 CYS A 107 -7.138 15.163 -9.880 1.00 2.06 H new ATOM 0 HG CYS A 107 -9.263 14.723 -11.681 1.00 2.44 H new ATOM 1192 N PRO A 108 -6.301 17.692 -12.904 1.00 1.98 N ATOM 1193 CA PRO A 108 -6.731 18.983 -13.453 1.00 2.37 C ATOM 1194 C PRO A 108 -7.964 19.542 -12.748 1.00 2.63 C ATOM 1195 O PRO A 108 -7.851 20.436 -11.908 1.00 3.01 O ATOM 1196 CB PRO A 108 -7.031 18.663 -14.919 1.00 2.57 C ATOM 1197 CG PRO A 108 -6.179 17.490 -15.230 1.00 2.52 C ATOM 1198 CD PRO A 108 -6.099 16.685 -13.961 1.00 2.13 C ATOM 0 HA PRO A 108 -5.972 19.755 -13.323 1.00 2.37 H new ATOM 0 HB2 PRO A 108 -8.087 18.436 -15.067 1.00 2.57 H new ATOM 0 HB3 PRO A 108 -6.793 19.508 -15.565 1.00 2.57 H new ATOM 0 HG2 PRO A 108 -6.609 16.900 -16.040 1.00 2.52 H new ATOM 0 HG3 PRO A 108 -5.187 17.804 -15.556 1.00 2.52 H new ATOM 0 HD2 PRO A 108 -6.864 15.909 -13.928 1.00 2.13 H new ATOM 0 HD3 PRO A 108 -5.135 16.186 -13.862 1.00 2.13 H new ATOM 1206 N ALA A 109 -9.135 19.002 -13.082 1.00 2.71 N ATOM 1207 CA ALA A 109 -10.392 19.447 -12.483 1.00 3.21 C ATOM 1208 C ALA A 109 -11.574 18.688 -13.068 1.00 3.80 C ATOM 1209 O ALA A 109 -12.711 19.160 -13.024 1.00 4.42 O ATOM 1210 CB ALA A 109 -10.587 20.939 -12.688 1.00 3.61 C ATOM 0 H ALA A 109 -9.239 18.253 -13.767 1.00 2.71 H new ATOM 0 HA ALA A 109 -10.340 19.241 -11.414 1.00 3.21 H new ATOM 0 HB1 ALA A 109 -11.529 21.249 -12.234 1.00 3.61 H new ATOM 0 HB2 ALA A 109 -9.764 21.481 -12.222 1.00 3.61 H new ATOM 0 HB3 ALA A 109 -10.608 21.160 -13.755 1.00 3.61 H new ATOM 1216 N THR A 110 -11.293 17.515 -13.620 1.00 3.73 N ATOM 1217 CA THR A 110 -12.319 16.672 -14.221 1.00 4.39 C ATOM 1218 C THR A 110 -13.566 16.594 -13.341 1.00 4.73 C ATOM 1219 O THR A 110 -14.690 16.576 -13.844 1.00 5.41 O ATOM 1220 CB THR A 110 -11.782 15.250 -14.468 1.00 4.40 C ATOM 1221 OG1 THR A 110 -10.705 15.291 -15.410 1.00 4.36 O ATOM 1222 CG2 THR A 110 -12.877 14.327 -14.984 1.00 5.18 C ATOM 0 H THR A 110 -10.353 17.122 -13.664 1.00 3.73 H new ATOM 0 HA THR A 110 -12.591 17.128 -15.173 1.00 4.39 H new ATOM 0 HB THR A 110 -11.423 14.857 -13.517 1.00 4.40 H new ATOM 0 HG1 THR A 110 -10.368 14.383 -15.561 1.00 4.36 H new ATOM 0 HG21 THR A 110 -12.466 13.331 -15.148 1.00 5.18 H new ATOM 0 HG22 THR A 110 -13.681 14.271 -14.250 1.00 5.18 H new ATOM 0 HG23 THR A 110 -13.269 14.717 -15.923 1.00 5.18 H new ATOM 1230 N ALA A 111 -13.359 16.551 -12.028 1.00 4.47 N ATOM 1231 CA ALA A 111 -14.463 16.475 -11.085 1.00 5.09 C ATOM 1232 C ALA A 111 -14.913 17.864 -10.640 1.00 5.25 C ATOM 1233 O ALA A 111 -16.098 18.095 -10.398 1.00 5.83 O ATOM 1234 CB ALA A 111 -14.070 15.636 -9.879 1.00 5.21 C ATOM 0 H ALA A 111 -12.435 16.568 -11.596 1.00 4.47 H new ATOM 0 HA ALA A 111 -15.302 15.998 -11.591 1.00 5.09 H new ATOM 0 HB1 ALA A 111 -14.906 15.588 -9.181 1.00 5.21 H new ATOM 0 HB2 ALA A 111 -13.811 14.629 -10.205 1.00 5.21 H new ATOM 0 HB3 ALA A 111 -13.211 16.089 -9.385 1.00 5.21 H new ATOM 1240 N GLY A 112 -13.960 18.785 -10.538 1.00 4.96 N ATOM 1241 CA GLY A 112 -14.273 20.140 -10.120 1.00 5.16 C ATOM 1242 C GLY A 112 -13.311 20.652 -9.066 1.00 4.51 C ATOM 1243 O GLY A 112 -13.682 20.809 -7.902 1.00 4.82 O ATOM 0 H GLY A 112 -12.974 18.617 -10.738 1.00 4.96 H new ATOM 0 HA2 GLY A 112 -14.245 20.801 -10.986 1.00 5.16 H new ATOM 0 HA3 GLY A 112 -15.289 20.171 -9.727 1.00 5.16 H new ATOM 1247 N SER A 113 -12.075 20.914 -9.475 1.00 4.00 N ATOM 1248 CA SER A 113 -11.054 21.403 -8.556 1.00 3.71 C ATOM 1249 C SER A 113 -11.192 22.902 -8.310 1.00 3.99 C ATOM 1250 O SER A 113 -10.784 23.717 -9.139 1.00 4.55 O ATOM 1251 CB SER A 113 -9.665 21.090 -9.097 1.00 3.97 C ATOM 1252 OG SER A 113 -9.487 19.696 -9.278 1.00 4.55 O ATOM 0 H SER A 113 -11.756 20.796 -10.437 1.00 4.00 H new ATOM 0 HA SER A 113 -11.194 20.892 -7.603 1.00 3.71 H new ATOM 0 HB2 SER A 113 -9.517 21.604 -10.047 1.00 3.97 H new ATOM 0 HB3 SER A 113 -8.910 21.469 -8.408 1.00 3.97 H new ATOM 0 HG SER A 113 -8.588 19.524 -9.628 1.00 4.55 H new ATOM 1258 N GLY A 114 -11.769 23.259 -7.166 1.00 3.89 N ATOM 1259 CA GLY A 114 -11.944 24.651 -6.821 1.00 4.42 C ATOM 1260 C GLY A 114 -12.204 24.843 -5.343 1.00 4.31 C ATOM 1261 O GLY A 114 -12.556 23.891 -4.648 1.00 4.31 O ATOM 0 H GLY A 114 -12.119 22.601 -6.470 1.00 3.89 H new ATOM 0 HA2 GLY A 114 -11.053 25.210 -7.107 1.00 4.42 H new ATOM 0 HA3 GLY A 114 -12.776 25.064 -7.392 1.00 4.42 H new ATOM 1265 N PRO A 115 -12.022 26.070 -4.830 1.00 4.52 N ATOM 1266 CA PRO A 115 -12.240 26.380 -3.419 1.00 4.49 C ATOM 1267 C PRO A 115 -13.725 26.433 -3.066 1.00 3.53 C ATOM 1268 O PRO A 115 -14.236 27.466 -2.632 1.00 3.40 O ATOM 1269 CB PRO A 115 -11.591 27.764 -3.237 1.00 5.18 C ATOM 1270 CG PRO A 115 -10.879 28.054 -4.520 1.00 5.57 C ATOM 1271 CD PRO A 115 -11.576 27.249 -5.576 1.00 5.13 C ATOM 0 HA PRO A 115 -11.815 25.617 -2.767 1.00 4.49 H new ATOM 0 HB2 PRO A 115 -12.344 28.524 -3.027 1.00 5.18 H new ATOM 0 HB3 PRO A 115 -10.897 27.763 -2.397 1.00 5.18 H new ATOM 0 HG2 PRO A 115 -10.916 29.118 -4.754 1.00 5.57 H new ATOM 0 HG3 PRO A 115 -9.826 27.779 -4.452 1.00 5.57 H new ATOM 0 HD2 PRO A 115 -12.413 27.792 -6.015 1.00 5.13 H new ATOM 0 HD3 PRO A 115 -10.905 26.983 -6.393 1.00 5.13 H new ATOM 1279 N ALA A 116 -14.409 25.307 -3.251 1.00 3.42 N ATOM 1280 CA ALA A 116 -15.836 25.217 -2.968 1.00 3.13 C ATOM 1281 C ALA A 116 -16.332 23.786 -3.131 1.00 2.42 C ATOM 1282 O ALA A 116 -17.532 23.548 -3.279 1.00 2.54 O ATOM 1283 CB ALA A 116 -16.608 26.145 -3.893 1.00 3.79 C ATOM 0 H ALA A 116 -13.995 24.442 -3.597 1.00 3.42 H new ATOM 0 HA ALA A 116 -16.002 25.521 -1.934 1.00 3.13 H new ATOM 0 HB1 ALA A 116 -17.674 26.072 -3.675 1.00 3.79 H new ATOM 0 HB2 ALA A 116 -16.276 27.172 -3.739 1.00 3.79 H new ATOM 0 HB3 ALA A 116 -16.429 25.858 -4.929 1.00 3.79 H new ATOM 1289 N ALA A 117 -15.404 22.834 -3.103 1.00 2.24 N ATOM 1290 CA ALA A 117 -15.749 21.429 -3.261 1.00 2.23 C ATOM 1291 C ALA A 117 -15.606 20.668 -1.949 1.00 1.90 C ATOM 1292 O ALA A 117 -14.624 20.835 -1.225 1.00 2.32 O ATOM 1293 CB ALA A 117 -14.877 20.792 -4.334 1.00 2.68 C ATOM 0 H ALA A 117 -14.408 23.012 -2.972 1.00 2.24 H new ATOM 0 HA ALA A 117 -16.794 21.374 -3.567 1.00 2.23 H new ATOM 0 HB1 ALA A 117 -15.144 19.741 -4.443 1.00 2.68 H new ATOM 0 HB2 ALA A 117 -15.033 21.307 -5.282 1.00 2.68 H new ATOM 0 HB3 ALA A 117 -13.829 20.872 -4.046 1.00 2.68 H new ATOM 1299 N THR A 118 -16.593 19.831 -1.651 1.00 1.67 N ATOM 1300 CA THR A 118 -16.583 19.036 -0.456 1.00 1.39 C ATOM 1301 C THR A 118 -15.953 17.703 -0.738 1.00 1.32 C ATOM 1302 O THR A 118 -16.615 16.716 -1.057 1.00 1.54 O ATOM 1303 CB THR A 118 -17.987 18.847 0.144 1.00 1.63 C ATOM 1304 OG1 THR A 118 -18.848 18.219 -0.813 1.00 2.42 O ATOM 1305 CG2 THR A 118 -18.579 20.184 0.563 1.00 1.79 C ATOM 0 H THR A 118 -17.416 19.694 -2.238 1.00 1.67 H new ATOM 0 HA THR A 118 -15.994 19.574 0.287 1.00 1.39 H new ATOM 0 HB THR A 118 -17.899 18.212 1.026 1.00 1.63 H new ATOM 0 HG1 THR A 118 -18.346 17.537 -1.306 1.00 2.42 H new ATOM 0 HG21 THR A 118 -19.572 20.026 0.984 1.00 1.79 H new ATOM 0 HG22 THR A 118 -17.937 20.648 1.311 1.00 1.79 H new ATOM 0 HG23 THR A 118 -18.653 20.837 -0.306 1.00 1.79 H new ATOM 1313 N GLN A 119 -14.652 17.712 -0.612 1.00 1.30 N ATOM 1314 CA GLN A 119 -13.836 16.563 -0.869 1.00 1.36 C ATOM 1315 C GLN A 119 -13.386 15.900 0.425 1.00 1.15 C ATOM 1316 O GLN A 119 -12.288 16.150 0.924 1.00 1.41 O ATOM 1317 CB GLN A 119 -12.655 17.029 -1.699 1.00 1.83 C ATOM 1318 CG GLN A 119 -12.047 18.329 -1.192 1.00 1.69 C ATOM 1319 CD GLN A 119 -10.612 18.531 -1.639 1.00 1.85 C ATOM 1320 OE1 GLN A 119 -9.894 17.435 -1.852 1.00 2.35 O flip ATOM 1321 NE2 GLN A 119 -10.153 19.662 -1.795 1.00 2.12 N flip ATOM 0 H GLN A 119 -14.124 18.535 -0.322 1.00 1.30 H new ATOM 0 HA GLN A 119 -14.403 15.806 -1.411 1.00 1.36 H new ATOM 0 HB2 GLN A 119 -11.890 16.253 -1.700 1.00 1.83 H new ATOM 0 HB3 GLN A 119 -12.975 17.163 -2.732 1.00 1.83 H new ATOM 0 HG2 GLN A 119 -12.651 19.166 -1.542 1.00 1.69 H new ATOM 0 HG3 GLN A 119 -12.087 18.341 -0.103 1.00 1.69 H new ATOM 0 HE21 GLN A 119 -10.739 20.479 -1.620 1.00 2.12 H new ATOM 0 HE22 GLN A 119 -9.187 19.783 -2.099 1.00 2.12 H new ATOM 1330 N ASP A 120 -14.252 15.048 0.958 1.00 0.81 N ATOM 1331 CA ASP A 120 -13.973 14.321 2.173 1.00 0.68 C ATOM 1332 C ASP A 120 -13.464 12.953 1.784 1.00 0.54 C ATOM 1333 O ASP A 120 -13.916 12.377 0.795 1.00 0.63 O ATOM 1334 CB ASP A 120 -15.231 14.204 3.036 1.00 0.72 C ATOM 1335 CG ASP A 120 -14.937 13.642 4.413 1.00 1.34 C ATOM 1336 OD1 ASP A 120 -14.726 12.416 4.521 1.00 2.16 O ATOM 1337 OD2 ASP A 120 -14.922 14.428 5.383 1.00 1.54 O ATOM 0 H ASP A 120 -15.167 14.847 0.554 1.00 0.81 H new ATOM 0 HA ASP A 120 -13.224 14.849 2.764 1.00 0.68 H new ATOM 0 HB2 ASP A 120 -15.691 15.187 3.138 1.00 0.72 H new ATOM 0 HB3 ASP A 120 -15.956 13.564 2.532 1.00 0.72 H new ATOM 1342 N PHE A 121 -12.533 12.430 2.547 1.00 0.45 N ATOM 1343 CA PHE A 121 -11.947 11.141 2.223 1.00 0.36 C ATOM 1344 C PHE A 121 -12.424 10.051 3.176 1.00 0.31 C ATOM 1345 O PHE A 121 -11.636 9.211 3.612 1.00 0.33 O ATOM 1346 CB PHE A 121 -10.419 11.225 2.264 1.00 0.47 C ATOM 1347 CG PHE A 121 -9.805 12.391 1.518 1.00 0.37 C ATOM 1348 CD1 PHE A 121 -10.586 13.132 0.643 1.00 0.46 C ATOM 1349 CD2 PHE A 121 -8.469 12.756 1.682 1.00 0.27 C ATOM 1350 CE1 PHE A 121 -10.059 14.204 -0.050 1.00 0.41 C ATOM 1351 CE2 PHE A 121 -7.940 13.829 0.988 1.00 0.26 C ATOM 1352 CZ PHE A 121 -8.616 14.520 0.171 1.00 0.31 C ATOM 0 H PHE A 121 -12.164 12.869 3.391 1.00 0.45 H new ATOM 0 HA PHE A 121 -12.271 10.879 1.216 1.00 0.36 H new ATOM 0 HB2 PHE A 121 -10.104 11.278 3.306 1.00 0.47 H new ATOM 0 HB3 PHE A 121 -10.012 10.301 1.855 1.00 0.47 H new ATOM 0 HD1 PHE A 121 -11.623 12.866 0.501 1.00 0.46 H new ATOM 0 HD2 PHE A 121 -7.841 12.195 2.358 1.00 0.27 H new ATOM 0 HE1 PHE A 121 -10.666 14.790 -0.724 1.00 0.41 H new ATOM 0 HE2 PHE A 121 -6.904 14.089 1.150 1.00 0.26 H new ATOM 0 HZ PHE A 121 -8.151 15.335 -0.364 1.00 0.31 H new ATOM 1362 N SER A 122 -13.714 10.061 3.499 1.00 0.32 N ATOM 1363 CA SER A 122 -14.272 9.048 4.384 1.00 0.34 C ATOM 1364 C SER A 122 -14.600 7.797 3.588 1.00 0.29 C ATOM 1365 O SER A 122 -14.642 6.695 4.135 1.00 0.32 O ATOM 1366 CB SER A 122 -15.522 9.552 5.101 1.00 0.42 C ATOM 1367 OG SER A 122 -16.560 9.841 4.180 1.00 1.26 O ATOM 0 H SER A 122 -14.385 10.752 3.164 1.00 0.32 H new ATOM 0 HA SER A 122 -13.525 8.816 5.143 1.00 0.34 H new ATOM 0 HB2 SER A 122 -15.863 8.801 5.814 1.00 0.42 H new ATOM 0 HB3 SER A 122 -15.280 10.448 5.673 1.00 0.42 H new ATOM 0 HG SER A 122 -17.349 10.160 4.666 1.00 1.26 H new ATOM 1373 N LYS A 123 -14.846 7.969 2.292 1.00 0.27 N ATOM 1374 CA LYS A 123 -15.135 6.833 1.435 1.00 0.29 C ATOM 1375 C LYS A 123 -13.885 5.988 1.328 1.00 0.24 C ATOM 1376 O LYS A 123 -13.948 4.768 1.175 1.00 0.27 O ATOM 1377 CB LYS A 123 -15.604 7.288 0.051 1.00 0.37 C ATOM 1378 CG LYS A 123 -16.893 8.096 0.082 1.00 0.42 C ATOM 1379 CD LYS A 123 -16.624 9.589 0.010 1.00 0.91 C ATOM 1380 CE LYS A 123 -16.092 9.981 -1.356 1.00 1.81 C ATOM 1381 NZ LYS A 123 -15.692 11.413 -1.413 1.00 2.58 N ATOM 0 H LYS A 123 -14.850 8.874 1.821 1.00 0.27 H new ATOM 0 HA LYS A 123 -15.945 6.246 1.868 1.00 0.29 H new ATOM 0 HB2 LYS A 123 -14.820 7.888 -0.411 1.00 0.37 H new ATOM 0 HB3 LYS A 123 -15.749 6.412 -0.581 1.00 0.37 H new ATOM 0 HG2 LYS A 123 -17.528 7.800 -0.753 1.00 0.42 H new ATOM 0 HG3 LYS A 123 -17.442 7.869 0.996 1.00 0.42 H new ATOM 0 HD2 LYS A 123 -17.543 10.138 0.218 1.00 0.91 H new ATOM 0 HD3 LYS A 123 -15.904 9.870 0.779 1.00 0.91 H new ATOM 0 HE2 LYS A 123 -15.234 9.356 -1.603 1.00 1.81 H new ATOM 0 HE3 LYS A 123 -16.855 9.788 -2.110 1.00 1.81 H new ATOM 0 HZ1 LYS A 123 -15.167 11.592 -2.293 1.00 2.58 H new ATOM 0 HZ2 LYS A 123 -16.542 12.012 -1.389 1.00 2.58 H new ATOM 0 HZ3 LYS A 123 -15.087 11.637 -0.597 1.00 2.58 H new ATOM 1395 N LEU A 124 -12.741 6.659 1.409 1.00 0.22 N ATOM 1396 CA LEU A 124 -11.460 5.994 1.380 1.00 0.20 C ATOM 1397 C LEU A 124 -11.285 5.222 2.682 1.00 0.16 C ATOM 1398 O LEU A 124 -10.530 4.253 2.760 1.00 0.16 O ATOM 1399 CB LEU A 124 -10.349 7.036 1.208 1.00 0.25 C ATOM 1400 CG LEU A 124 -8.927 6.488 1.092 1.00 0.24 C ATOM 1401 CD1 LEU A 124 -8.926 5.151 0.383 1.00 0.26 C ATOM 1402 CD2 LEU A 124 -8.044 7.472 0.345 1.00 0.25 C ATOM 0 H LEU A 124 -12.684 7.674 1.496 1.00 0.22 H new ATOM 0 HA LEU A 124 -11.408 5.298 0.543 1.00 0.20 H new ATOM 0 HB2 LEU A 124 -10.564 7.623 0.315 1.00 0.25 H new ATOM 0 HB3 LEU A 124 -10.385 7.720 2.056 1.00 0.25 H new ATOM 0 HG LEU A 124 -8.531 6.348 2.098 1.00 0.24 H new ATOM 0 HD11 LEU A 124 -7.904 4.778 0.311 1.00 0.26 H new ATOM 0 HD12 LEU A 124 -9.533 4.441 0.945 1.00 0.26 H new ATOM 0 HD13 LEU A 124 -9.341 5.270 -0.618 1.00 0.26 H new ATOM 0 HD21 LEU A 124 -7.034 7.070 0.269 1.00 0.25 H new ATOM 0 HD22 LEU A 124 -8.446 7.635 -0.655 1.00 0.25 H new ATOM 0 HD23 LEU A 124 -8.018 8.419 0.884 1.00 0.25 H new ATOM 1414 N LEU A 125 -12.016 5.664 3.702 1.00 0.18 N ATOM 1415 CA LEU A 125 -11.975 5.033 5.012 1.00 0.22 C ATOM 1416 C LEU A 125 -12.742 3.713 4.982 1.00 0.24 C ATOM 1417 O LEU A 125 -12.235 2.674 5.411 1.00 0.26 O ATOM 1418 CB LEU A 125 -12.581 5.981 6.057 1.00 0.28 C ATOM 1419 CG LEU A 125 -11.814 6.084 7.379 1.00 0.32 C ATOM 1420 CD1 LEU A 125 -11.530 4.704 7.956 1.00 1.23 C ATOM 1421 CD2 LEU A 125 -10.522 6.862 7.175 1.00 1.30 C ATOM 0 H LEU A 125 -12.647 6.463 3.642 1.00 0.18 H new ATOM 0 HA LEU A 125 -10.939 4.824 5.280 1.00 0.22 H new ATOM 0 HB2 LEU A 125 -12.652 6.977 5.620 1.00 0.28 H new ATOM 0 HB3 LEU A 125 -13.598 5.654 6.272 1.00 0.28 H new ATOM 0 HG LEU A 125 -12.435 6.621 8.096 1.00 0.32 H new ATOM 0 HD11 LEU A 125 -10.985 4.807 8.894 1.00 1.23 H new ATOM 0 HD12 LEU A 125 -12.471 4.185 8.138 1.00 1.23 H new ATOM 0 HD13 LEU A 125 -10.931 4.130 7.249 1.00 1.23 H new ATOM 0 HD21 LEU A 125 -9.985 6.929 8.121 1.00 1.30 H new ATOM 0 HD22 LEU A 125 -9.901 6.350 6.440 1.00 1.30 H new ATOM 0 HD23 LEU A 125 -10.754 7.865 6.817 1.00 1.30 H new ATOM 1433 N SER A 126 -13.966 3.762 4.457 1.00 0.28 N ATOM 1434 CA SER A 126 -14.796 2.568 4.352 1.00 0.34 C ATOM 1435 C SER A 126 -14.194 1.586 3.354 1.00 0.28 C ATOM 1436 O SER A 126 -14.355 0.372 3.484 1.00 0.29 O ATOM 1437 CB SER A 126 -16.218 2.938 3.925 1.00 0.44 C ATOM 1438 OG SER A 126 -16.824 3.806 4.868 1.00 1.40 O ATOM 0 H SER A 126 -14.401 4.613 4.100 1.00 0.28 H new ATOM 0 HA SER A 126 -14.836 2.094 5.333 1.00 0.34 H new ATOM 0 HB2 SER A 126 -16.194 3.418 2.947 1.00 0.44 H new ATOM 0 HB3 SER A 126 -16.817 2.033 3.821 1.00 0.44 H new ATOM 0 HG SER A 126 -17.731 4.029 4.572 1.00 1.40 H new ATOM 1444 N SER A 127 -13.498 2.125 2.360 1.00 0.25 N ATOM 1445 CA SER A 127 -12.864 1.307 1.334 1.00 0.25 C ATOM 1446 C SER A 127 -11.754 0.447 1.926 1.00 0.21 C ATOM 1447 O SER A 127 -11.655 -0.741 1.628 1.00 0.23 O ATOM 1448 CB SER A 127 -12.297 2.195 0.224 1.00 0.31 C ATOM 1449 OG SER A 127 -13.337 2.801 -0.525 1.00 1.09 O ATOM 0 H SER A 127 -13.358 3.129 2.243 1.00 0.25 H new ATOM 0 HA SER A 127 -13.623 0.647 0.914 1.00 0.25 H new ATOM 0 HB2 SER A 127 -11.661 2.966 0.660 1.00 0.31 H new ATOM 0 HB3 SER A 127 -11.668 1.599 -0.437 1.00 0.31 H new ATOM 0 HG SER A 127 -13.857 3.393 0.057 1.00 1.09 H new ATOM 1455 N VAL A 128 -10.928 1.054 2.774 1.00 0.23 N ATOM 1456 CA VAL A 128 -9.818 0.347 3.406 1.00 0.30 C ATOM 1457 C VAL A 128 -10.315 -0.802 4.272 1.00 0.29 C ATOM 1458 O VAL A 128 -9.879 -1.945 4.113 1.00 0.32 O ATOM 1459 CB VAL A 128 -8.971 1.306 4.270 1.00 0.40 C ATOM 1460 CG1 VAL A 128 -8.021 0.534 5.172 1.00 0.51 C ATOM 1461 CG2 VAL A 128 -8.203 2.275 3.384 1.00 0.48 C ATOM 0 H VAL A 128 -11.007 2.036 3.040 1.00 0.23 H new ATOM 0 HA VAL A 128 -9.198 -0.057 2.605 1.00 0.30 H new ATOM 0 HB VAL A 128 -9.646 1.877 4.907 1.00 0.40 H new ATOM 0 HG11 VAL A 128 -7.437 1.234 5.769 1.00 0.51 H new ATOM 0 HG12 VAL A 128 -8.594 -0.116 5.833 1.00 0.51 H new ATOM 0 HG13 VAL A 128 -7.350 -0.070 4.561 1.00 0.51 H new ATOM 0 HG21 VAL A 128 -7.610 2.945 4.006 1.00 0.48 H new ATOM 0 HG22 VAL A 128 -7.542 1.716 2.721 1.00 0.48 H new ATOM 0 HG23 VAL A 128 -8.905 2.859 2.789 1.00 0.48 H new ATOM 1471 N LYS A 129 -11.223 -0.494 5.190 1.00 0.28 N ATOM 1472 CA LYS A 129 -11.777 -1.505 6.080 1.00 0.32 C ATOM 1473 C LYS A 129 -12.302 -2.702 5.293 1.00 0.27 C ATOM 1474 O LYS A 129 -12.149 -3.851 5.708 1.00 0.27 O ATOM 1475 CB LYS A 129 -12.888 -0.902 6.922 1.00 0.38 C ATOM 1476 CG LYS A 129 -12.374 -0.158 8.141 1.00 0.50 C ATOM 1477 CD LYS A 129 -13.456 0.710 8.748 1.00 1.12 C ATOM 1478 CE LYS A 129 -14.498 -0.121 9.476 1.00 1.77 C ATOM 1479 NZ LYS A 129 -15.560 0.730 10.082 1.00 2.69 N ATOM 0 H LYS A 129 -11.590 0.446 5.337 1.00 0.28 H new ATOM 0 HA LYS A 129 -10.981 -1.856 6.736 1.00 0.32 H new ATOM 0 HB2 LYS A 129 -13.472 -0.218 6.306 1.00 0.38 H new ATOM 0 HB3 LYS A 129 -13.562 -1.695 7.245 1.00 0.38 H new ATOM 0 HG2 LYS A 129 -12.018 -0.872 8.883 1.00 0.50 H new ATOM 0 HG3 LYS A 129 -11.522 0.461 7.860 1.00 0.50 H new ATOM 0 HD2 LYS A 129 -13.007 1.420 9.442 1.00 1.12 H new ATOM 0 HD3 LYS A 129 -13.938 1.293 7.963 1.00 1.12 H new ATOM 0 HE2 LYS A 129 -14.951 -0.827 8.780 1.00 1.77 H new ATOM 0 HE3 LYS A 129 -14.014 -0.709 10.256 1.00 1.77 H new ATOM 0 HZ1 LYS A 129 -16.252 0.126 10.570 1.00 2.69 H new ATOM 0 HZ2 LYS A 129 -15.131 1.387 10.765 1.00 2.69 H new ATOM 0 HZ3 LYS A 129 -16.039 1.272 9.335 1.00 2.69 H new ATOM 1493 N GLU A 130 -12.923 -2.414 4.155 1.00 0.23 N ATOM 1494 CA GLU A 130 -13.483 -3.450 3.293 1.00 0.21 C ATOM 1495 C GLU A 130 -12.415 -4.421 2.782 1.00 0.17 C ATOM 1496 O GLU A 130 -12.571 -5.638 2.904 1.00 0.16 O ATOM 1497 CB GLU A 130 -14.208 -2.801 2.109 1.00 0.21 C ATOM 1498 CG GLU A 130 -15.334 -3.647 1.537 1.00 0.35 C ATOM 1499 CD GLU A 130 -14.837 -4.918 0.877 1.00 1.20 C ATOM 1500 OE1 GLU A 130 -14.346 -4.838 -0.269 1.00 1.71 O ATOM 1501 OE2 GLU A 130 -14.935 -5.992 1.508 1.00 2.10 O ATOM 0 H GLU A 130 -13.052 -1.465 3.805 1.00 0.23 H new ATOM 0 HA GLU A 130 -14.188 -4.028 3.890 1.00 0.21 H new ATOM 0 HB2 GLU A 130 -14.614 -1.840 2.426 1.00 0.21 H new ATOM 0 HB3 GLU A 130 -13.484 -2.596 1.320 1.00 0.21 H new ATOM 0 HG2 GLU A 130 -16.030 -3.906 2.335 1.00 0.35 H new ATOM 0 HG3 GLU A 130 -15.890 -3.058 0.808 1.00 0.35 H new ATOM 1508 N ILE A 131 -11.328 -3.890 2.221 1.00 0.18 N ATOM 1509 CA ILE A 131 -10.266 -4.742 1.681 1.00 0.16 C ATOM 1510 C ILE A 131 -9.754 -5.716 2.738 1.00 0.17 C ATOM 1511 O ILE A 131 -9.744 -6.930 2.525 1.00 0.16 O ATOM 1512 CB ILE A 131 -9.065 -3.930 1.142 1.00 0.18 C ATOM 1513 CG1 ILE A 131 -9.410 -2.451 0.998 1.00 0.28 C ATOM 1514 CG2 ILE A 131 -8.617 -4.494 -0.199 1.00 0.29 C ATOM 1515 CD1 ILE A 131 -8.190 -1.568 0.868 1.00 0.27 C ATOM 0 H ILE A 131 -11.160 -2.888 2.129 1.00 0.18 H new ATOM 0 HA ILE A 131 -10.716 -5.287 0.851 1.00 0.16 H new ATOM 0 HB ILE A 131 -8.251 -4.015 1.862 1.00 0.18 H new ATOM 0 HG12 ILE A 131 -10.044 -2.316 0.122 1.00 0.28 H new ATOM 0 HG13 ILE A 131 -9.991 -2.133 1.864 1.00 0.28 H new ATOM 0 HG21 ILE A 131 -7.771 -3.917 -0.572 1.00 0.29 H new ATOM 0 HG22 ILE A 131 -8.319 -5.535 -0.075 1.00 0.29 H new ATOM 0 HG23 ILE A 131 -9.439 -4.434 -0.912 1.00 0.29 H new ATOM 0 HD11 ILE A 131 -8.502 -0.528 0.769 1.00 0.27 H new ATOM 0 HD12 ILE A 131 -7.566 -1.677 1.755 1.00 0.27 H new ATOM 0 HD13 ILE A 131 -7.621 -1.861 -0.014 1.00 0.27 H new ATOM 1527 N SER A 132 -9.323 -5.175 3.873 1.00 0.20 N ATOM 1528 CA SER A 132 -8.829 -5.998 4.969 1.00 0.23 C ATOM 1529 C SER A 132 -9.847 -7.068 5.356 1.00 0.23 C ATOM 1530 O SER A 132 -9.495 -8.231 5.548 1.00 0.26 O ATOM 1531 CB SER A 132 -8.508 -5.124 6.182 1.00 0.27 C ATOM 1532 OG SER A 132 -8.339 -5.913 7.347 1.00 1.02 O ATOM 0 H SER A 132 -9.306 -4.172 4.057 1.00 0.20 H new ATOM 0 HA SER A 132 -7.920 -6.496 4.633 1.00 0.23 H new ATOM 0 HB2 SER A 132 -7.600 -4.551 5.992 1.00 0.27 H new ATOM 0 HB3 SER A 132 -9.312 -4.405 6.339 1.00 0.27 H new ATOM 0 HG SER A 132 -9.186 -6.353 7.570 1.00 1.02 H new ATOM 1538 N ASP A 133 -11.110 -6.667 5.475 1.00 0.23 N ATOM 1539 CA ASP A 133 -12.176 -7.594 5.844 1.00 0.26 C ATOM 1540 C ASP A 133 -12.199 -8.828 4.943 1.00 0.25 C ATOM 1541 O ASP A 133 -12.526 -9.926 5.395 1.00 0.36 O ATOM 1542 CB ASP A 133 -13.531 -6.886 5.785 1.00 0.28 C ATOM 1543 CG ASP A 133 -14.672 -7.785 6.220 1.00 0.33 C ATOM 1544 OD1 ASP A 133 -15.242 -8.481 5.355 1.00 0.37 O ATOM 1545 OD2 ASP A 133 -14.994 -7.792 7.428 1.00 0.37 O ATOM 0 H ASP A 133 -11.420 -5.707 5.321 1.00 0.23 H new ATOM 0 HA ASP A 133 -11.979 -7.929 6.862 1.00 0.26 H new ATOM 0 HB2 ASP A 133 -13.504 -6.003 6.423 1.00 0.28 H new ATOM 0 HB3 ASP A 133 -13.713 -6.539 4.768 1.00 0.28 H new ATOM 1550 N ILE A 134 -11.853 -8.648 3.671 1.00 0.16 N ATOM 1551 CA ILE A 134 -11.860 -9.758 2.720 1.00 0.16 C ATOM 1552 C ILE A 134 -10.684 -10.717 2.924 1.00 0.16 C ATOM 1553 O ILE A 134 -10.884 -11.929 3.021 1.00 0.26 O ATOM 1554 CB ILE A 134 -11.842 -9.259 1.263 1.00 0.17 C ATOM 1555 CG1 ILE A 134 -12.969 -8.249 1.032 1.00 0.17 C ATOM 1556 CG2 ILE A 134 -11.976 -10.437 0.307 1.00 0.22 C ATOM 1557 CD1 ILE A 134 -12.974 -7.651 -0.358 1.00 0.18 C ATOM 0 H ILE A 134 -11.566 -7.752 3.276 1.00 0.16 H new ATOM 0 HA ILE A 134 -12.787 -10.298 2.912 1.00 0.16 H new ATOM 0 HB ILE A 134 -10.891 -8.761 1.073 1.00 0.17 H new ATOM 0 HG12 ILE A 134 -13.926 -8.739 1.211 1.00 0.17 H new ATOM 0 HG13 ILE A 134 -12.881 -7.446 1.763 1.00 0.17 H new ATOM 0 HG21 ILE A 134 -11.962 -10.075 -0.721 1.00 0.22 H new ATOM 0 HG22 ILE A 134 -11.145 -11.126 0.460 1.00 0.22 H new ATOM 0 HG23 ILE A 134 -12.916 -10.954 0.497 1.00 0.22 H new ATOM 0 HD11 ILE A 134 -13.800 -6.945 -0.447 1.00 0.18 H new ATOM 0 HD12 ILE A 134 -12.032 -7.132 -0.534 1.00 0.18 H new ATOM 0 HD13 ILE A 134 -13.094 -8.445 -1.095 1.00 0.18 H new ATOM 1569 N VAL A 135 -9.463 -10.185 2.983 1.00 0.15 N ATOM 1570 CA VAL A 135 -8.278 -11.032 3.149 1.00 0.17 C ATOM 1571 C VAL A 135 -8.353 -11.903 4.399 1.00 0.19 C ATOM 1572 O VAL A 135 -7.860 -13.028 4.409 1.00 0.25 O ATOM 1573 CB VAL A 135 -6.962 -10.221 3.187 1.00 0.17 C ATOM 1574 CG1 VAL A 135 -7.145 -8.882 3.879 1.00 0.18 C ATOM 1575 CG2 VAL A 135 -5.878 -11.020 3.884 1.00 0.23 C ATOM 0 H VAL A 135 -9.268 -9.186 2.920 1.00 0.15 H new ATOM 0 HA VAL A 135 -8.270 -11.673 2.267 1.00 0.17 H new ATOM 0 HB VAL A 135 -6.665 -10.025 2.157 1.00 0.17 H new ATOM 0 HG11 VAL A 135 -6.198 -8.343 3.885 1.00 0.18 H new ATOM 0 HG12 VAL A 135 -7.893 -8.296 3.345 1.00 0.18 H new ATOM 0 HG13 VAL A 135 -7.476 -9.045 4.905 1.00 0.18 H new ATOM 0 HG21 VAL A 135 -4.955 -10.440 3.905 1.00 0.23 H new ATOM 0 HG22 VAL A 135 -6.190 -11.244 4.904 1.00 0.23 H new ATOM 0 HG23 VAL A 135 -5.708 -11.952 3.344 1.00 0.23 H new ATOM 1585 N GLN A 136 -8.936 -11.383 5.461 1.00 0.22 N ATOM 1586 CA GLN A 136 -9.049 -12.145 6.693 1.00 0.29 C ATOM 1587 C GLN A 136 -10.004 -13.314 6.505 1.00 0.42 C ATOM 1588 O GLN A 136 -9.748 -14.418 6.986 1.00 0.52 O ATOM 1589 CB GLN A 136 -9.500 -11.241 7.837 1.00 0.31 C ATOM 1590 CG GLN A 136 -8.436 -10.237 8.251 1.00 0.37 C ATOM 1591 CD GLN A 136 -8.988 -9.121 9.108 1.00 0.52 C ATOM 1592 OE1 GLN A 136 -9.397 -8.040 8.462 1.00 0.91 O flip ATOM 1593 NE2 GLN A 136 -9.044 -9.227 10.333 1.00 0.54 N flip ATOM 0 H GLN A 136 -9.336 -10.445 5.498 1.00 0.22 H new ATOM 0 HA GLN A 136 -8.070 -12.548 6.950 1.00 0.29 H new ATOM 0 HB2 GLN A 136 -10.401 -10.706 7.537 1.00 0.31 H new ATOM 0 HB3 GLN A 136 -9.766 -11.856 8.697 1.00 0.31 H new ATOM 0 HG2 GLN A 136 -7.648 -10.754 8.799 1.00 0.37 H new ATOM 0 HG3 GLN A 136 -7.977 -9.811 7.359 1.00 0.37 H new ATOM 0 HE21 GLN A 136 -8.717 -10.080 10.787 1.00 0.54 H new ATOM 0 HE22 GLN A 136 -9.418 -8.462 10.895 1.00 0.54 H new ATOM 1602 N ARG A 137 -11.104 -13.069 5.794 1.00 0.58 N ATOM 1603 CA ARG A 137 -12.089 -14.112 5.532 1.00 0.76 C ATOM 1604 C ARG A 137 -11.757 -14.828 4.242 1.00 0.86 C ATOM 1605 O ARG A 137 -12.604 -15.035 3.373 1.00 1.34 O ATOM 1606 CB ARG A 137 -13.493 -13.521 5.506 1.00 0.95 C ATOM 1607 CG ARG A 137 -13.861 -12.838 6.812 1.00 1.37 C ATOM 1608 CD ARG A 137 -13.627 -13.748 8.016 1.00 2.12 C ATOM 1609 NE ARG A 137 -12.201 -13.919 8.323 1.00 2.40 N ATOM 1610 CZ ARG A 137 -11.713 -13.927 9.559 1.00 3.46 C ATOM 1611 NH1 ARG A 137 -12.524 -13.775 10.597 1.00 4.05 N ATOM 1612 NH2 ARG A 137 -10.412 -14.090 9.760 1.00 4.06 N ATOM 0 H ARG A 137 -11.333 -12.160 5.391 1.00 0.58 H new ATOM 0 HA ARG A 137 -12.058 -14.846 6.337 1.00 0.76 H new ATOM 0 HB2 ARG A 137 -13.566 -12.802 4.690 1.00 0.95 H new ATOM 0 HB3 ARG A 137 -14.213 -14.312 5.298 1.00 0.95 H new ATOM 0 HG2 ARG A 137 -13.271 -11.928 6.925 1.00 1.37 H new ATOM 0 HG3 ARG A 137 -14.908 -12.538 6.782 1.00 1.37 H new ATOM 0 HD2 ARG A 137 -14.135 -13.332 8.886 1.00 2.12 H new ATOM 0 HD3 ARG A 137 -14.073 -14.723 7.822 1.00 2.12 H new ATOM 0 HE ARG A 137 -11.551 -14.038 7.546 1.00 2.40 H new ATOM 0 HH11 ARG A 137 -13.525 -13.652 10.448 1.00 4.05 H new ATOM 0 HH12 ARG A 137 -12.146 -13.782 11.545 1.00 4.05 H new ATOM 0 HH21 ARG A 137 -9.784 -14.209 8.965 1.00 4.06 H new ATOM 0 HH22 ARG A 137 -10.039 -14.096 10.710 1.00 4.06 H new ATOM 1626 N LEU A 138 -10.494 -15.199 4.149 1.00 0.75 N ATOM 1627 CA LEU A 138 -9.959 -15.884 2.994 1.00 0.82 C ATOM 1628 C LEU A 138 -9.893 -17.394 3.218 1.00 1.08 C ATOM 1629 O LEU A 138 -10.852 -18.115 2.940 1.00 1.38 O ATOM 1630 CB LEU A 138 -8.580 -15.321 2.729 1.00 0.82 C ATOM 1631 CG LEU A 138 -8.205 -15.165 1.256 1.00 0.86 C ATOM 1632 CD1 LEU A 138 -6.887 -14.429 1.128 1.00 1.89 C ATOM 1633 CD2 LEU A 138 -8.121 -16.524 0.576 1.00 1.44 C ATOM 0 H LEU A 138 -9.806 -15.030 4.883 1.00 0.75 H new ATOM 0 HA LEU A 138 -10.611 -15.725 2.135 1.00 0.82 H new ATOM 0 HB2 LEU A 138 -8.506 -14.346 3.210 1.00 0.82 H new ATOM 0 HB3 LEU A 138 -7.844 -15.968 3.207 1.00 0.82 H new ATOM 0 HG LEU A 138 -8.982 -14.583 0.761 1.00 0.86 H new ATOM 0 HD11 LEU A 138 -6.630 -14.324 0.074 1.00 1.89 H new ATOM 0 HD12 LEU A 138 -6.976 -13.441 1.580 1.00 1.89 H new ATOM 0 HD13 LEU A 138 -6.105 -14.992 1.638 1.00 1.89 H new ATOM 0 HD21 LEU A 138 -7.853 -16.390 -0.472 1.00 1.44 H new ATOM 0 HD22 LEU A 138 -7.363 -17.132 1.070 1.00 1.44 H new ATOM 0 HD23 LEU A 138 -9.087 -17.024 0.642 1.00 1.44 H new ATOM 1645 N GLU A 139 -8.753 -17.864 3.719 1.00 1.21 N ATOM 1646 CA GLU A 139 -8.558 -19.286 3.986 1.00 1.62 C ATOM 1647 C GLU A 139 -9.584 -19.804 4.994 1.00 2.23 C ATOM 1648 O GLU A 139 -9.355 -19.643 6.212 1.00 3.00 O ATOM 1649 CB GLU A 139 -7.136 -19.540 4.497 1.00 2.21 C ATOM 1650 CG GLU A 139 -6.684 -18.553 5.562 1.00 2.94 C ATOM 1651 CD GLU A 139 -5.295 -18.861 6.089 1.00 3.72 C ATOM 1652 OE1 GLU A 139 -4.313 -18.345 5.516 1.00 4.17 O ATOM 1653 OE2 GLU A 139 -5.191 -19.618 7.077 1.00 4.16 O ATOM 1654 OXT GLU A 139 -10.609 -20.367 4.555 1.00 2.56 O ATOM 0 H GLU A 139 -7.949 -17.279 3.948 1.00 1.21 H new ATOM 0 HA GLU A 139 -8.700 -19.828 3.051 1.00 1.62 H new ATOM 0 HB2 GLU A 139 -7.080 -20.550 4.903 1.00 2.21 H new ATOM 0 HB3 GLU A 139 -6.444 -19.496 3.656 1.00 2.21 H new ATOM 0 HG2 GLU A 139 -6.696 -17.545 5.147 1.00 2.94 H new ATOM 0 HG3 GLU A 139 -7.394 -18.566 6.389 1.00 2.94 H new TER 1661 GLU A 139