USER MOD reduce.3.24.130724 H: found=0, std=0, add=1349, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1349 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 151 LYS NZ :NH3+ -117:sc= 0.0801 (180deg=0) USER MOD Set 1.2: A 155 GLN : amide:sc= -0.82 K(o=-0.74,f=-2!) USER MOD Set 2.1: A 143 THR OG1 : rot 180:sc= -0.101 USER MOD Set 2.2: A 144 THR OG1 : rot 180:sc= 0.0164 USER MOD Set 3.1: A 101 TYR OH : rot -125:sc= -2.07! USER MOD Set 3.2: A 160 GLN :FLIP amide:sc= 0.704 F(o=-2.7,f=-1.4) USER MOD Set 4.1: A 80 ASN : amide:sc= -0.0135 K(o=-1,f=-4!) USER MOD Set 4.2: A 83 THR OG1 : rot -130:sc= -1.03 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.648 USER MOD Single : A 22 SER OG : rot 160:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= -0.563 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -1.58 K(o=-1.6,f=-4.3!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0.0094 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -61:sc= 0.733 USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0.099 K(o=0.099,f=-2!) USER MOD Single : A 50 MET CE :methyl -165:sc= -1.72 (180deg=-2.02) USER MOD Single : A 53 SER OG : rot -45:sc= 0.409 USER MOD Single : A 54 SER OG : rot 180:sc= 0.0196 USER MOD Single : A 55 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0953) USER MOD Single : A 61 ASN : amide:sc= -0.0161 X(o=-0.016,f=-0.016) USER MOD Single : A 62 ASN : amide:sc= -1.9! C(o=-1.9!,f=-4.8!) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl -101:sc= -0.359 (180deg=-0.373) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0904) USER MOD Single : A 90 THR OG1 : rot 180:sc=-0.00439 USER MOD Single : A 98 TYR OH : rot -178:sc= -0.286 USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0.0107 USER MOD Single : A 109 SER OG : rot -35:sc= -1.42 USER MOD Single : A 112 GLN : amide:sc= -1.34 K(o=-1.3,f=-5.1!) USER MOD Single : A 117 GLN : amide:sc= -4.5! C(o=-4.5!,f=-11!) USER MOD Single : A 118 MET CE :methyl -145:sc= -0.26 (180deg=-1.91!) USER MOD Single : A 119 SER OG : rot -161:sc= 0.165 USER MOD Single : A 120 THR OG1 : rot -28:sc= -2.25! USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 GLN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 128 GLN : amide:sc= -0.294 K(o=-0.29,f=-3.4!) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0222) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 ASN : amide:sc= -0.0853 X(o=-0.085,f=-0.11) USER MOD Single : A 138 THR OG1 : rot 180:sc= -0.79 USER MOD Single : A 139 THR OG1 : rot -150:sc= -5.25! USER MOD Single : A 145 ASN :FLIP amide:sc= -3.76! C(o=-10!,f=-3.8!) USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 150 THR OG1 : rot 180:sc= 0 USER MOD Single : A 153 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 156 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 157 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 162 MET CE :methyl -154:sc= -14.5! (180deg=-19.5!) USER MOD Single : A 163 THR OG1 : rot 67:sc= 0.755 USER MOD Single : A 164 THR OG1 : rot 180:sc= 0.013 USER MOD Single : A 165 HIS : no HD1:sc= -1.48 K(o=-1.5,f=-2.5!) USER MOD Single : A 170 SER OG : rot -100:sc= -2.13! USER MOD Single : A 172 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 176 GLN : amide:sc= -0.0993 K(o=-0.099,f=-1!) USER MOD Single : A 177 SER OG : rot 161:sc= 0.356 USER MOD Single : A 178 SER OG : rot -100:sc= -1.31 USER MOD Single : A 184 GLN : amide:sc= -0.517 K(o=-0.52,f=-3.9!) USER MOD Single : A 185 MET CE :methyl 159:sc= -0.0852 (180deg=-0.205) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 20 20.450 14.643 3.021 1.00 0.89 N ATOM 2 CA LEU A 20 19.302 13.911 2.412 1.00 0.84 C ATOM 3 C LEU A 20 19.826 12.912 1.378 1.00 0.74 C ATOM 4 O LEU A 20 20.136 13.269 0.257 1.00 1.07 O ATOM 5 CB LEU A 20 18.367 14.910 1.729 1.00 1.00 C ATOM 6 CG LEU A 20 16.966 14.306 1.624 1.00 1.03 C ATOM 7 CD1 LEU A 20 15.923 15.405 1.833 1.00 1.29 C ATOM 8 CD2 LEU A 20 16.779 13.685 0.238 1.00 1.28 C ATOM 0 HA LEU A 20 18.757 13.376 3.190 1.00 0.84 H new ATOM 0 HB2 LEU A 20 18.332 15.839 2.297 1.00 1.00 H new ATOM 0 HB3 LEU A 20 18.744 15.157 0.736 1.00 1.00 H new ATOM 0 HG LEU A 20 16.844 13.536 2.386 1.00 1.03 H new ATOM 0 HD11 LEU A 20 14.923 14.977 1.759 1.00 1.29 H new ATOM 0 HD12 LEU A 20 16.055 15.849 2.820 1.00 1.29 H new ATOM 0 HD13 LEU A 20 16.046 16.173 1.070 1.00 1.29 H new ATOM 0 HD21 LEU A 20 15.780 13.255 0.164 1.00 1.28 H new ATOM 0 HD22 LEU A 20 16.900 14.454 -0.525 1.00 1.28 H new ATOM 0 HD23 LEU A 20 17.523 12.903 0.086 1.00 1.28 H new ATOM 20 N THR A 21 19.928 11.664 1.742 1.00 0.73 N ATOM 21 CA THR A 21 20.433 10.645 0.777 1.00 0.74 C ATOM 22 C THR A 21 19.288 10.195 -0.132 1.00 0.55 C ATOM 23 O THR A 21 18.237 10.804 -0.172 1.00 0.41 O ATOM 24 CB THR A 21 20.978 9.434 1.542 1.00 0.81 C ATOM 25 OG1 THR A 21 19.895 8.645 2.013 1.00 2.27 O ATOM 26 CG2 THR A 21 21.820 9.906 2.729 1.00 1.76 C ATOM 0 H THR A 21 19.684 11.305 2.665 1.00 0.73 H new ATOM 0 HA THR A 21 21.230 11.082 0.176 1.00 0.74 H new ATOM 0 HB THR A 21 21.601 8.838 0.875 1.00 0.81 H new ATOM 0 HG1 THR A 21 20.243 7.870 2.501 1.00 2.27 H new ATOM 0 HG21 THR A 21 22.205 9.041 3.269 1.00 1.76 H new ATOM 0 HG22 THR A 21 22.654 10.508 2.367 1.00 1.76 H new ATOM 0 HG23 THR A 21 21.202 10.506 3.398 1.00 1.76 H new ATOM 34 N SER A 22 19.482 9.131 -0.863 1.00 0.78 N ATOM 35 CA SER A 22 18.403 8.643 -1.766 1.00 0.63 C ATOM 36 C SER A 22 17.217 8.164 -0.927 1.00 0.42 C ATOM 37 O SER A 22 16.086 8.547 -1.156 1.00 0.49 O ATOM 38 CB SER A 22 18.932 7.483 -2.611 1.00 0.80 C ATOM 39 OG SER A 22 18.786 7.802 -3.989 1.00 0.18 O ATOM 0 H SER A 22 20.340 8.580 -0.873 1.00 0.78 H new ATOM 0 HA SER A 22 18.082 9.452 -2.422 1.00 0.63 H new ATOM 0 HB2 SER A 22 19.980 7.296 -2.378 1.00 0.80 H new ATOM 0 HB3 SER A 22 18.386 6.569 -2.377 1.00 0.80 H new ATOM 0 HG SER A 22 19.390 7.242 -4.520 1.00 0.18 H new ATOM 45 N SER A 23 17.464 7.333 0.049 1.00 0.44 N ATOM 46 CA SER A 23 16.349 6.835 0.904 1.00 0.45 C ATOM 47 C SER A 23 15.717 8.012 1.646 1.00 0.37 C ATOM 48 O SER A 23 14.521 8.060 1.836 1.00 0.43 O ATOM 49 CB SER A 23 16.889 5.822 1.913 1.00 0.74 C ATOM 50 OG SER A 23 15.980 5.714 3.001 1.00 1.70 O ATOM 0 H SER A 23 18.389 6.978 0.291 1.00 0.44 H new ATOM 0 HA SER A 23 15.598 6.353 0.279 1.00 0.45 H new ATOM 0 HB2 SER A 23 17.021 4.851 1.436 1.00 0.74 H new ATOM 0 HB3 SER A 23 17.869 6.136 2.272 1.00 0.74 H new ATOM 0 HG SER A 23 16.322 5.064 3.650 1.00 1.70 H new ATOM 56 N GLU A 24 16.505 8.967 2.057 1.00 0.32 N ATOM 57 CA GLU A 24 15.929 10.141 2.771 1.00 0.33 C ATOM 58 C GLU A 24 15.009 10.892 1.807 1.00 0.49 C ATOM 59 O GLU A 24 14.067 11.545 2.211 1.00 0.74 O ATOM 60 CB GLU A 24 17.058 11.065 3.235 1.00 0.54 C ATOM 61 CG GLU A 24 17.966 10.308 4.206 1.00 1.59 C ATOM 62 CD GLU A 24 18.613 11.297 5.177 1.00 1.90 C ATOM 63 OE1 GLU A 24 17.978 12.289 5.493 1.00 1.50 O ATOM 64 OE2 GLU A 24 19.734 11.045 5.588 1.00 2.96 O ATOM 0 H GLU A 24 17.517 8.986 1.930 1.00 0.32 H new ATOM 0 HA GLU A 24 15.364 9.810 3.642 1.00 0.33 H new ATOM 0 HB2 GLU A 24 17.634 11.413 2.377 1.00 0.54 H new ATOM 0 HB3 GLU A 24 16.644 11.948 3.721 1.00 0.54 H new ATOM 0 HG2 GLU A 24 17.388 9.566 4.757 1.00 1.59 H new ATOM 0 HG3 GLU A 24 18.735 9.767 3.655 1.00 1.59 H new ATOM 71 N ARG A 25 15.273 10.790 0.532 1.00 0.47 N ATOM 72 CA ARG A 25 14.415 11.481 -0.471 1.00 0.72 C ATOM 73 C ARG A 25 13.176 10.625 -0.749 1.00 0.78 C ATOM 74 O ARG A 25 12.166 11.112 -1.218 1.00 1.07 O ATOM 75 CB ARG A 25 15.206 11.670 -1.769 1.00 0.89 C ATOM 76 CG ARG A 25 14.512 12.709 -2.653 1.00 0.59 C ATOM 77 CD ARG A 25 15.088 12.642 -4.069 1.00 0.89 C ATOM 78 NE ARG A 25 16.394 13.358 -4.110 1.00 0.92 N ATOM 79 CZ ARG A 25 16.493 14.503 -4.731 1.00 0.99 C ATOM 80 NH1 ARG A 25 16.246 15.615 -4.094 1.00 1.51 N ATOM 81 NH2 ARG A 25 16.837 14.535 -5.991 1.00 1.43 N ATOM 0 H ARG A 25 16.049 10.256 0.141 1.00 0.47 H new ATOM 0 HA ARG A 25 14.109 12.454 -0.086 1.00 0.72 H new ATOM 0 HB2 ARG A 25 16.222 11.992 -1.543 1.00 0.89 H new ATOM 0 HB3 ARG A 25 15.283 10.721 -2.300 1.00 0.89 H new ATOM 0 HG2 ARG A 25 13.438 12.523 -2.677 1.00 0.59 H new ATOM 0 HG3 ARG A 25 14.653 13.707 -2.238 1.00 0.59 H new ATOM 0 HD2 ARG A 25 15.222 11.603 -4.370 1.00 0.89 H new ATOM 0 HD3 ARG A 25 14.392 13.092 -4.777 1.00 0.89 H new ATOM 0 HE ARG A 25 17.211 12.954 -3.653 1.00 0.92 H new ATOM 0 HH11 ARG A 25 15.976 15.590 -3.111 1.00 1.51 H new ATOM 0 HH12 ARG A 25 16.323 16.509 -4.579 1.00 1.51 H new ATOM 0 HH21 ARG A 25 17.028 13.666 -6.490 1.00 1.43 H new ATOM 0 HH22 ARG A 25 16.914 15.429 -6.476 1.00 1.43 H new ATOM 95 N ILE A 26 13.246 9.349 -0.470 1.00 0.64 N ATOM 96 CA ILE A 26 12.075 8.466 -0.724 1.00 0.83 C ATOM 97 C ILE A 26 11.087 8.580 0.453 1.00 0.78 C ATOM 98 O ILE A 26 9.889 8.465 0.283 1.00 0.84 O ATOM 99 CB ILE A 26 12.581 7.012 -0.939 1.00 0.87 C ATOM 100 CG1 ILE A 26 12.168 6.552 -2.343 1.00 1.36 C ATOM 101 CG2 ILE A 26 12.014 6.030 0.104 1.00 0.80 C ATOM 102 CD1 ILE A 26 12.630 5.111 -2.579 1.00 0.48 C ATOM 0 H ILE A 26 14.064 8.883 -0.078 1.00 0.64 H new ATOM 0 HA ILE A 26 11.542 8.769 -1.625 1.00 0.83 H new ATOM 0 HB ILE A 26 13.665 7.014 -0.826 1.00 0.87 H new ATOM 0 HG12 ILE A 26 11.086 6.618 -2.453 1.00 1.36 H new ATOM 0 HG13 ILE A 26 12.605 7.210 -3.094 1.00 1.36 H new ATOM 0 HG21 ILE A 26 12.399 5.029 -0.092 1.00 0.80 H new ATOM 0 HG22 ILE A 26 12.316 6.346 1.103 1.00 0.80 H new ATOM 0 HG23 ILE A 26 10.926 6.019 0.040 1.00 0.80 H new ATOM 0 HD11 ILE A 26 12.333 4.793 -3.578 1.00 0.48 H new ATOM 0 HD12 ILE A 26 13.715 5.057 -2.489 1.00 0.48 H new ATOM 0 HD13 ILE A 26 12.172 4.456 -1.838 1.00 0.48 H new ATOM 114 N ASP A 27 11.583 8.809 1.639 1.00 0.68 N ATOM 115 CA ASP A 27 10.681 8.935 2.819 1.00 0.64 C ATOM 116 C ASP A 27 9.655 10.038 2.548 1.00 0.63 C ATOM 117 O ASP A 27 8.504 9.942 2.932 1.00 0.58 O ATOM 118 CB ASP A 27 11.516 9.297 4.053 1.00 0.70 C ATOM 119 CG ASP A 27 10.593 9.510 5.255 1.00 0.68 C ATOM 120 OD1 ASP A 27 9.597 8.811 5.344 1.00 0.97 O ATOM 121 OD2 ASP A 27 10.897 10.367 6.067 1.00 1.48 O ATOM 0 H ASP A 27 12.577 8.914 1.842 1.00 0.68 H new ATOM 0 HA ASP A 27 10.163 7.992 2.996 1.00 0.64 H new ATOM 0 HB2 ASP A 27 12.230 8.502 4.267 1.00 0.70 H new ATOM 0 HB3 ASP A 27 12.094 10.201 3.861 1.00 0.70 H new ATOM 126 N LYS A 28 10.062 11.084 1.881 1.00 0.71 N ATOM 127 CA LYS A 28 9.118 12.192 1.579 1.00 0.73 C ATOM 128 C LYS A 28 8.157 11.745 0.471 1.00 0.66 C ATOM 129 O LYS A 28 7.020 12.171 0.415 1.00 0.67 O ATOM 130 CB LYS A 28 9.925 13.421 1.131 1.00 0.79 C ATOM 131 CG LYS A 28 8.996 14.482 0.536 1.00 1.69 C ATOM 132 CD LYS A 28 9.105 14.440 -0.988 1.00 2.25 C ATOM 133 CE LYS A 28 8.729 15.804 -1.568 1.00 2.83 C ATOM 134 NZ LYS A 28 7.362 15.734 -2.157 1.00 3.53 N ATOM 0 H LYS A 28 11.011 11.217 1.532 1.00 0.71 H new ATOM 0 HA LYS A 28 8.536 12.451 2.464 1.00 0.73 H new ATOM 0 HB2 LYS A 28 10.466 13.838 1.980 1.00 0.79 H new ATOM 0 HB3 LYS A 28 10.670 13.125 0.392 1.00 0.79 H new ATOM 0 HG2 LYS A 28 7.967 14.298 0.845 1.00 1.69 H new ATOM 0 HG3 LYS A 28 9.268 15.471 0.906 1.00 1.69 H new ATOM 0 HD2 LYS A 28 10.121 14.176 -1.283 1.00 2.25 H new ATOM 0 HD3 LYS A 28 8.446 13.669 -1.389 1.00 2.25 H new ATOM 0 HE2 LYS A 28 8.762 16.564 -0.788 1.00 2.83 H new ATOM 0 HE3 LYS A 28 9.450 16.098 -2.330 1.00 2.83 H new ATOM 0 HZ1 LYS A 28 7.106 16.662 -2.552 1.00 3.53 H new ATOM 0 HZ2 LYS A 28 7.346 15.020 -2.913 1.00 3.53 H new ATOM 0 HZ3 LYS A 28 6.679 15.472 -1.418 1.00 3.53 H new ATOM 148 N GLN A 29 8.600 10.888 -0.407 1.00 0.61 N ATOM 149 CA GLN A 29 7.705 10.419 -1.502 1.00 0.55 C ATOM 150 C GLN A 29 6.516 9.668 -0.895 1.00 0.58 C ATOM 151 O GLN A 29 5.374 9.918 -1.237 1.00 0.61 O ATOM 152 CB GLN A 29 8.478 9.494 -2.440 1.00 0.38 C ATOM 153 CG GLN A 29 9.687 10.238 -3.009 1.00 0.82 C ATOM 154 CD GLN A 29 9.211 11.295 -4.008 1.00 0.68 C ATOM 155 OE1 GLN A 29 8.541 12.238 -3.639 1.00 1.52 O ATOM 156 NE2 GLN A 29 9.531 11.176 -5.268 1.00 1.16 N ATOM 0 H GLN A 29 9.540 10.493 -0.414 1.00 0.61 H new ATOM 0 HA GLN A 29 7.342 11.276 -2.069 1.00 0.55 H new ATOM 0 HB2 GLN A 29 8.805 8.604 -1.902 1.00 0.38 H new ATOM 0 HB3 GLN A 29 7.831 9.157 -3.250 1.00 0.38 H new ATOM 0 HG2 GLN A 29 10.249 10.710 -2.203 1.00 0.82 H new ATOM 0 HG3 GLN A 29 10.362 9.536 -3.499 1.00 0.82 H new ATOM 0 HE21 GLN A 29 10.094 10.384 -5.579 1.00 1.16 H new ATOM 0 HE22 GLN A 29 9.218 11.875 -5.942 1.00 1.16 H new ATOM 165 N ILE A 30 6.761 8.760 0.016 1.00 0.60 N ATOM 166 CA ILE A 30 5.619 8.034 0.633 1.00 0.63 C ATOM 167 C ILE A 30 4.821 9.034 1.463 1.00 0.60 C ATOM 168 O ILE A 30 3.627 8.909 1.607 1.00 0.56 O ATOM 169 CB ILE A 30 6.108 6.886 1.523 1.00 0.66 C ATOM 170 CG1 ILE A 30 6.793 5.828 0.654 1.00 0.89 C ATOM 171 CG2 ILE A 30 4.916 6.254 2.242 1.00 0.68 C ATOM 172 CD1 ILE A 30 7.234 4.650 1.527 1.00 0.39 C ATOM 0 H ILE A 30 7.687 8.496 0.352 1.00 0.60 H new ATOM 0 HA ILE A 30 4.998 7.599 -0.150 1.00 0.63 H new ATOM 0 HB ILE A 30 6.814 7.271 2.258 1.00 0.66 H new ATOM 0 HG12 ILE A 30 6.110 5.482 -0.122 1.00 0.89 H new ATOM 0 HG13 ILE A 30 7.656 6.262 0.149 1.00 0.89 H new ATOM 0 HG21 ILE A 30 5.264 5.438 2.875 1.00 0.68 H new ATOM 0 HG22 ILE A 30 4.422 7.006 2.858 1.00 0.68 H new ATOM 0 HG23 ILE A 30 4.211 5.868 1.506 1.00 0.68 H new ATOM 0 HD11 ILE A 30 7.721 3.899 0.905 1.00 0.39 H new ATOM 0 HD12 ILE A 30 7.933 5.001 2.286 1.00 0.39 H new ATOM 0 HD13 ILE A 30 6.362 4.210 2.012 1.00 0.39 H new ATOM 184 N ARG A 31 5.463 10.046 1.993 1.00 0.66 N ATOM 185 CA ARG A 31 4.708 11.062 2.784 1.00 0.67 C ATOM 186 C ARG A 31 3.547 11.566 1.923 1.00 0.59 C ATOM 187 O ARG A 31 2.490 11.913 2.412 1.00 0.53 O ATOM 188 CB ARG A 31 5.632 12.229 3.140 1.00 0.82 C ATOM 189 CG ARG A 31 5.028 13.025 4.299 1.00 0.77 C ATOM 190 CD ARG A 31 5.107 14.521 3.988 1.00 1.63 C ATOM 191 NE ARG A 31 3.777 15.148 4.227 1.00 2.23 N ATOM 192 CZ ARG A 31 3.333 15.290 5.446 1.00 2.01 C ATOM 193 NH1 ARG A 31 4.082 15.859 6.348 1.00 1.48 N ATOM 194 NH2 ARG A 31 2.142 14.862 5.761 1.00 2.95 N ATOM 0 H ARG A 31 6.466 10.210 1.913 1.00 0.66 H new ATOM 0 HA ARG A 31 4.331 10.621 3.707 1.00 0.67 H new ATOM 0 HB2 ARG A 31 6.618 11.855 3.417 1.00 0.82 H new ATOM 0 HB3 ARG A 31 5.769 12.876 2.273 1.00 0.82 H new ATOM 0 HG2 ARG A 31 3.990 12.730 4.455 1.00 0.77 H new ATOM 0 HG3 ARG A 31 5.564 12.806 5.223 1.00 0.77 H new ATOM 0 HD2 ARG A 31 5.862 14.994 4.615 1.00 1.63 H new ATOM 0 HD3 ARG A 31 5.412 14.673 2.953 1.00 1.63 H new ATOM 0 HE ARG A 31 3.214 15.466 3.438 1.00 2.23 H new ATOM 0 HH11 ARG A 31 5.014 16.193 6.101 1.00 1.48 H new ATOM 0 HH12 ARG A 31 3.737 15.971 7.301 1.00 1.48 H new ATOM 0 HH21 ARG A 31 1.557 14.416 5.054 1.00 2.95 H new ATOM 0 HH22 ARG A 31 1.796 14.973 6.714 1.00 2.95 H new ATOM 208 N TYR A 32 3.742 11.570 0.631 1.00 0.61 N ATOM 209 CA TYR A 32 2.668 12.007 -0.296 1.00 0.58 C ATOM 210 C TYR A 32 1.688 10.848 -0.459 1.00 0.47 C ATOM 211 O TYR A 32 0.491 11.032 -0.531 1.00 0.41 O ATOM 212 CB TYR A 32 3.284 12.352 -1.654 1.00 0.68 C ATOM 213 CG TYR A 32 2.959 13.780 -2.014 1.00 0.54 C ATOM 214 CD1 TYR A 32 1.644 14.141 -2.329 1.00 1.08 C ATOM 215 CD2 TYR A 32 3.974 14.743 -2.039 1.00 0.99 C ATOM 216 CE1 TYR A 32 1.345 15.464 -2.666 1.00 0.90 C ATOM 217 CE2 TYR A 32 3.675 16.067 -2.377 1.00 1.30 C ATOM 218 CZ TYR A 32 2.359 16.429 -2.692 1.00 0.82 C ATOM 219 OH TYR A 32 2.063 17.734 -3.025 1.00 1.09 O ATOM 0 H TYR A 32 4.610 11.285 0.178 1.00 0.61 H new ATOM 0 HA TYR A 32 2.155 12.885 0.096 1.00 0.58 H new ATOM 0 HB2 TYR A 32 4.365 12.213 -1.619 1.00 0.68 H new ATOM 0 HB3 TYR A 32 2.900 11.678 -2.420 1.00 0.68 H new ATOM 0 HD1 TYR A 32 0.861 13.398 -2.312 1.00 1.08 H new ATOM 0 HD2 TYR A 32 4.989 14.464 -1.797 1.00 0.99 H new ATOM 0 HE1 TYR A 32 0.330 15.742 -2.907 1.00 0.90 H new ATOM 0 HE2 TYR A 32 4.459 16.810 -2.395 1.00 1.30 H new ATOM 0 HH TYR A 32 2.881 18.273 -2.993 1.00 1.09 H new ATOM 229 N ILE A 33 2.200 9.644 -0.508 1.00 0.45 N ATOM 230 CA ILE A 33 1.314 8.454 -0.654 1.00 0.34 C ATOM 231 C ILE A 33 0.223 8.493 0.425 1.00 0.30 C ATOM 232 O ILE A 33 -0.945 8.331 0.140 1.00 0.29 O ATOM 233 CB ILE A 33 2.151 7.178 -0.504 1.00 0.30 C ATOM 234 CG1 ILE A 33 3.159 7.099 -1.654 1.00 0.41 C ATOM 235 CG2 ILE A 33 1.238 5.950 -0.547 1.00 0.14 C ATOM 236 CD1 ILE A 33 4.033 5.856 -1.483 1.00 0.20 C ATOM 0 H ILE A 33 3.197 9.436 -0.453 1.00 0.45 H new ATOM 0 HA ILE A 33 0.844 8.463 -1.637 1.00 0.34 H new ATOM 0 HB ILE A 33 2.678 7.202 0.450 1.00 0.30 H new ATOM 0 HG12 ILE A 33 2.635 7.059 -2.609 1.00 0.41 H new ATOM 0 HG13 ILE A 33 3.781 7.994 -1.669 1.00 0.41 H new ATOM 0 HG21 ILE A 33 1.838 5.046 -0.440 1.00 0.14 H new ATOM 0 HG22 ILE A 33 0.516 6.005 0.268 1.00 0.14 H new ATOM 0 HG23 ILE A 33 0.709 5.923 -1.500 1.00 0.14 H new ATOM 0 HD11 ILE A 33 4.750 5.800 -2.302 1.00 0.20 H new ATOM 0 HD12 ILE A 33 4.568 5.915 -0.535 1.00 0.20 H new ATOM 0 HD13 ILE A 33 3.404 4.966 -1.490 1.00 0.20 H new ATOM 248 N LEU A 34 0.596 8.718 1.657 1.00 0.30 N ATOM 249 CA LEU A 34 -0.414 8.778 2.750 1.00 0.28 C ATOM 250 C LEU A 34 -1.260 10.037 2.575 1.00 0.28 C ATOM 251 O LEU A 34 -2.463 10.016 2.737 1.00 0.28 O ATOM 252 CB LEU A 34 0.298 8.830 4.103 1.00 0.28 C ATOM 253 CG LEU A 34 0.003 7.555 4.892 1.00 0.44 C ATOM 254 CD1 LEU A 34 0.914 6.429 4.401 1.00 0.62 C ATOM 255 CD2 LEU A 34 0.262 7.807 6.379 1.00 0.44 C ATOM 0 H LEU A 34 1.561 8.863 1.953 1.00 0.30 H new ATOM 0 HA LEU A 34 -1.051 7.894 2.711 1.00 0.28 H new ATOM 0 HB2 LEU A 34 1.373 8.937 3.955 1.00 0.28 H new ATOM 0 HB3 LEU A 34 -0.034 9.702 4.666 1.00 0.28 H new ATOM 0 HG LEU A 34 -1.039 7.269 4.746 1.00 0.44 H new ATOM 0 HD11 LEU A 34 0.704 5.519 4.964 1.00 0.62 H new ATOM 0 HD12 LEU A 34 0.733 6.250 3.341 1.00 0.62 H new ATOM 0 HD13 LEU A 34 1.956 6.714 4.548 1.00 0.62 H new ATOM 0 HD21 LEU A 34 0.052 6.899 6.944 1.00 0.44 H new ATOM 0 HD22 LEU A 34 1.304 8.092 6.524 1.00 0.44 H new ATOM 0 HD23 LEU A 34 -0.386 8.610 6.730 1.00 0.44 H new ATOM 267 N ASP A 35 -0.640 11.139 2.227 1.00 0.31 N ATOM 268 CA ASP A 35 -1.419 12.396 2.023 1.00 0.32 C ATOM 269 C ASP A 35 -2.556 12.107 1.050 1.00 0.29 C ATOM 270 O ASP A 35 -3.598 12.730 1.083 1.00 0.34 O ATOM 271 CB ASP A 35 -0.505 13.481 1.443 1.00 0.37 C ATOM 272 CG ASP A 35 -0.871 14.837 2.048 1.00 0.73 C ATOM 273 OD1 ASP A 35 -1.743 15.490 1.500 1.00 2.02 O ATOM 274 OD2 ASP A 35 -0.273 15.199 3.047 1.00 0.43 O ATOM 0 H ASP A 35 0.366 11.220 2.077 1.00 0.31 H new ATOM 0 HA ASP A 35 -1.821 12.746 2.974 1.00 0.32 H new ATOM 0 HB2 ASP A 35 0.537 13.245 1.657 1.00 0.37 H new ATOM 0 HB3 ASP A 35 -0.608 13.516 0.358 1.00 0.37 H new ATOM 279 N GLY A 36 -2.364 11.140 0.198 1.00 0.23 N ATOM 280 CA GLY A 36 -3.428 10.772 -0.764 1.00 0.23 C ATOM 281 C GLY A 36 -4.440 9.883 -0.043 1.00 0.17 C ATOM 282 O GLY A 36 -5.628 10.086 -0.126 1.00 0.18 O ATOM 0 H GLY A 36 -1.509 10.588 0.130 1.00 0.23 H new ATOM 0 HA2 GLY A 36 -3.916 11.667 -1.151 1.00 0.23 H new ATOM 0 HA3 GLY A 36 -3.002 10.247 -1.619 1.00 0.23 H new ATOM 286 N ILE A 37 -3.965 8.892 0.662 1.00 0.14 N ATOM 287 CA ILE A 37 -4.884 7.973 1.391 1.00 0.10 C ATOM 288 C ILE A 37 -5.785 8.760 2.344 1.00 0.09 C ATOM 289 O ILE A 37 -6.820 8.278 2.758 1.00 0.17 O ATOM 290 CB ILE A 37 -4.082 6.961 2.207 1.00 0.07 C ATOM 291 CG1 ILE A 37 -3.111 6.205 1.293 1.00 0.12 C ATOM 292 CG2 ILE A 37 -5.054 5.971 2.848 1.00 0.06 C ATOM 293 CD1 ILE A 37 -3.899 5.448 0.225 1.00 0.16 C ATOM 0 H ILE A 37 -2.973 8.679 0.764 1.00 0.14 H new ATOM 0 HA ILE A 37 -5.495 7.455 0.652 1.00 0.10 H new ATOM 0 HB ILE A 37 -3.511 7.479 2.977 1.00 0.07 H new ATOM 0 HG12 ILE A 37 -2.419 6.904 0.822 1.00 0.12 H new ATOM 0 HG13 ILE A 37 -2.511 5.509 1.879 1.00 0.12 H new ATOM 0 HG21 ILE A 37 -4.496 5.241 3.435 1.00 0.06 H new ATOM 0 HG22 ILE A 37 -5.744 6.508 3.499 1.00 0.06 H new ATOM 0 HG23 ILE A 37 -5.616 5.457 2.069 1.00 0.06 H new ATOM 0 HD11 ILE A 37 -3.208 4.911 -0.425 1.00 0.16 H new ATOM 0 HD12 ILE A 37 -4.573 4.738 0.705 1.00 0.16 H new ATOM 0 HD13 ILE A 37 -4.479 6.155 -0.368 1.00 0.16 H new ATOM 305 N SER A 38 -5.421 9.964 2.689 1.00 0.08 N ATOM 306 CA SER A 38 -6.290 10.752 3.599 1.00 0.10 C ATOM 307 C SER A 38 -7.534 11.122 2.812 1.00 0.15 C ATOM 308 O SER A 38 -8.649 11.039 3.291 1.00 0.24 O ATOM 309 CB SER A 38 -5.563 12.019 4.051 1.00 0.10 C ATOM 310 OG SER A 38 -4.184 11.730 4.232 1.00 1.57 O ATOM 0 H SER A 38 -4.567 10.431 2.382 1.00 0.08 H new ATOM 0 HA SER A 38 -6.547 10.176 4.488 1.00 0.10 H new ATOM 0 HB2 SER A 38 -5.687 12.807 3.309 1.00 0.10 H new ATOM 0 HB3 SER A 38 -5.994 12.387 4.982 1.00 0.10 H new ATOM 0 HG SER A 38 -3.715 12.541 4.520 1.00 1.57 H new ATOM 316 N ALA A 39 -7.338 11.509 1.586 1.00 0.13 N ATOM 317 CA ALA A 39 -8.486 11.868 0.727 1.00 0.21 C ATOM 318 C ALA A 39 -9.071 10.597 0.096 1.00 0.16 C ATOM 319 O ALA A 39 -10.133 10.623 -0.495 1.00 0.14 O ATOM 320 CB ALA A 39 -8.016 12.818 -0.377 1.00 0.29 C ATOM 0 H ALA A 39 -6.423 11.591 1.142 1.00 0.13 H new ATOM 0 HA ALA A 39 -9.252 12.359 1.328 1.00 0.21 H new ATOM 0 HB1 ALA A 39 -8.861 13.084 -1.012 1.00 0.29 H new ATOM 0 HB2 ALA A 39 -7.601 13.720 0.072 1.00 0.29 H new ATOM 0 HB3 ALA A 39 -7.251 12.327 -0.978 1.00 0.29 H new ATOM 326 N LEU A 40 -8.391 9.480 0.211 1.00 0.16 N ATOM 327 CA LEU A 40 -8.926 8.224 -0.388 1.00 0.14 C ATOM 328 C LEU A 40 -9.604 7.374 0.686 1.00 0.14 C ATOM 329 O LEU A 40 -10.282 6.413 0.385 1.00 0.27 O ATOM 330 CB LEU A 40 -7.793 7.412 -1.023 1.00 0.15 C ATOM 331 CG LEU A 40 -7.024 8.280 -2.019 1.00 0.21 C ATOM 332 CD1 LEU A 40 -5.644 7.674 -2.263 1.00 0.35 C ATOM 333 CD2 LEU A 40 -7.783 8.333 -3.339 1.00 0.21 C ATOM 0 H LEU A 40 -7.496 9.388 0.691 1.00 0.16 H new ATOM 0 HA LEU A 40 -9.653 8.495 -1.154 1.00 0.14 H new ATOM 0 HB2 LEU A 40 -7.118 7.047 -0.249 1.00 0.15 H new ATOM 0 HB3 LEU A 40 -8.201 6.537 -1.529 1.00 0.15 H new ATOM 0 HG LEU A 40 -6.919 9.286 -1.614 1.00 0.21 H new ATOM 0 HD11 LEU A 40 -5.095 8.293 -2.973 1.00 0.35 H new ATOM 0 HD12 LEU A 40 -5.095 7.628 -1.322 1.00 0.35 H new ATOM 0 HD13 LEU A 40 -5.755 6.668 -2.668 1.00 0.35 H new ATOM 0 HD21 LEU A 40 -7.235 8.952 -4.049 1.00 0.21 H new ATOM 0 HD22 LEU A 40 -7.886 7.325 -3.740 1.00 0.21 H new ATOM 0 HD23 LEU A 40 -8.772 8.760 -3.173 1.00 0.21 H new ATOM 345 N ARG A 41 -9.436 7.712 1.935 1.00 0.12 N ATOM 346 CA ARG A 41 -10.083 6.908 3.006 1.00 0.19 C ATOM 347 C ARG A 41 -11.076 7.776 3.775 1.00 0.27 C ATOM 348 O ARG A 41 -11.900 7.275 4.508 1.00 0.53 O ATOM 349 CB ARG A 41 -9.028 6.377 3.977 1.00 0.16 C ATOM 350 CG ARG A 41 -9.717 5.497 5.022 1.00 0.21 C ATOM 351 CD ARG A 41 -8.700 4.531 5.633 1.00 0.36 C ATOM 352 NE ARG A 41 -8.654 4.728 7.109 1.00 0.34 N ATOM 353 CZ ARG A 41 -7.537 4.543 7.758 1.00 1.21 C ATOM 354 NH1 ARG A 41 -6.826 3.469 7.541 1.00 2.40 N ATOM 355 NH2 ARG A 41 -7.131 5.429 8.626 1.00 1.45 N ATOM 0 H ARG A 41 -8.882 8.505 2.257 1.00 0.12 H new ATOM 0 HA ARG A 41 -10.605 6.070 2.545 1.00 0.19 H new ATOM 0 HB2 ARG A 41 -8.274 5.803 3.438 1.00 0.16 H new ATOM 0 HB3 ARG A 41 -8.511 7.205 4.462 1.00 0.16 H new ATOM 0 HG2 ARG A 41 -10.157 6.118 5.802 1.00 0.21 H new ATOM 0 HG3 ARG A 41 -10.532 4.939 4.561 1.00 0.21 H new ATOM 0 HD2 ARG A 41 -8.975 3.502 5.401 1.00 0.36 H new ATOM 0 HD3 ARG A 41 -7.714 4.703 5.201 1.00 0.36 H new ATOM 0 HE ARG A 41 -9.496 5.008 7.612 1.00 0.34 H new ATOM 0 HH11 ARG A 41 -7.144 2.775 6.864 1.00 2.40 H new ATOM 0 HH12 ARG A 41 -5.953 3.324 8.048 1.00 2.40 H new ATOM 0 HH21 ARG A 41 -7.687 6.267 8.798 1.00 1.45 H new ATOM 0 HH22 ARG A 41 -6.258 5.284 9.133 1.00 1.45 H new ATOM 369 N LYS A 42 -11.019 9.069 3.614 1.00 0.23 N ATOM 370 CA LYS A 42 -11.973 9.939 4.341 1.00 0.26 C ATOM 371 C LYS A 42 -13.352 9.769 3.717 1.00 0.21 C ATOM 372 O LYS A 42 -14.366 9.876 4.378 1.00 0.09 O ATOM 373 CB LYS A 42 -11.530 11.396 4.214 1.00 0.32 C ATOM 374 CG LYS A 42 -12.367 12.273 5.149 1.00 0.45 C ATOM 375 CD LYS A 42 -13.017 13.403 4.346 1.00 1.37 C ATOM 376 CE LYS A 42 -14.180 13.995 5.143 1.00 2.39 C ATOM 377 NZ LYS A 42 -14.456 15.380 4.662 1.00 3.03 N ATOM 0 H LYS A 42 -10.354 9.555 3.012 1.00 0.23 H new ATOM 0 HA LYS A 42 -12.003 9.666 5.396 1.00 0.26 H new ATOM 0 HB2 LYS A 42 -10.473 11.488 4.463 1.00 0.32 H new ATOM 0 HB3 LYS A 42 -11.645 11.733 3.184 1.00 0.32 H new ATOM 0 HG2 LYS A 42 -13.134 11.672 5.638 1.00 0.45 H new ATOM 0 HG3 LYS A 42 -11.737 12.688 5.936 1.00 0.45 H new ATOM 0 HD2 LYS A 42 -12.281 14.177 4.127 1.00 1.37 H new ATOM 0 HD3 LYS A 42 -13.375 13.024 3.389 1.00 1.37 H new ATOM 0 HE2 LYS A 42 -15.068 13.374 5.027 1.00 2.39 H new ATOM 0 HE3 LYS A 42 -13.937 14.009 6.206 1.00 2.39 H new ATOM 0 HZ1 LYS A 42 -15.247 15.784 5.203 1.00 3.03 H new ATOM 0 HZ2 LYS A 42 -13.609 15.969 4.795 1.00 3.03 H new ATOM 0 HZ3 LYS A 42 -14.705 15.354 3.653 1.00 3.03 H new ATOM 391 N GLU A 43 -13.394 9.496 2.444 1.00 0.37 N ATOM 392 CA GLU A 43 -14.699 9.319 1.771 1.00 0.37 C ATOM 393 C GLU A 43 -15.148 7.869 1.905 1.00 0.33 C ATOM 394 O GLU A 43 -16.271 7.594 2.293 1.00 0.25 O ATOM 395 CB GLU A 43 -14.562 9.677 0.290 1.00 0.50 C ATOM 396 CG GLU A 43 -14.665 11.194 0.115 1.00 1.36 C ATOM 397 CD GLU A 43 -14.025 11.597 -1.214 1.00 2.34 C ATOM 398 OE1 GLU A 43 -12.896 11.200 -1.450 1.00 3.09 O ATOM 399 OE2 GLU A 43 -14.674 12.297 -1.974 1.00 2.47 O ATOM 0 H GLU A 43 -12.577 9.389 1.843 1.00 0.37 H new ATOM 0 HA GLU A 43 -15.438 9.972 2.235 1.00 0.37 H new ATOM 0 HB2 GLU A 43 -13.606 9.321 -0.093 1.00 0.50 H new ATOM 0 HB3 GLU A 43 -15.342 9.181 -0.288 1.00 0.50 H new ATOM 0 HG2 GLU A 43 -15.710 11.503 0.137 1.00 1.36 H new ATOM 0 HG3 GLU A 43 -14.165 11.701 0.940 1.00 1.36 H new ATOM 406 N THR A 44 -14.281 6.939 1.575 1.00 0.41 N ATOM 407 CA THR A 44 -14.653 5.497 1.664 1.00 0.41 C ATOM 408 C THR A 44 -14.419 4.965 3.083 1.00 0.41 C ATOM 409 O THR A 44 -13.812 3.932 3.283 1.00 0.54 O ATOM 410 CB THR A 44 -13.830 4.682 0.661 1.00 0.51 C ATOM 411 OG1 THR A 44 -14.202 3.314 0.748 1.00 0.69 O ATOM 412 CG2 THR A 44 -12.341 4.824 0.970 1.00 0.54 C ATOM 0 H THR A 44 -13.332 7.121 1.248 1.00 0.41 H new ATOM 0 HA THR A 44 -15.712 5.398 1.426 1.00 0.41 H new ATOM 0 HB THR A 44 -14.023 5.053 -0.346 1.00 0.51 H new ATOM 0 HG1 THR A 44 -14.015 2.981 1.651 1.00 0.69 H new ATOM 0 HG21 THR A 44 -11.763 4.242 0.252 1.00 0.54 H new ATOM 0 HG22 THR A 44 -12.054 5.873 0.901 1.00 0.54 H new ATOM 0 HG23 THR A 44 -12.142 4.459 1.978 1.00 0.54 H new ATOM 420 N CYS A 45 -14.924 5.658 4.060 1.00 0.35 N ATOM 421 CA CYS A 45 -14.784 5.218 5.473 1.00 0.37 C ATOM 422 C CYS A 45 -15.605 6.184 6.318 1.00 0.24 C ATOM 423 O CYS A 45 -16.429 5.786 7.115 1.00 0.41 O ATOM 424 CB CYS A 45 -13.314 5.253 5.905 1.00 0.45 C ATOM 425 SG CYS A 45 -13.098 4.385 7.487 1.00 0.88 S ATOM 0 H CYS A 45 -15.439 6.530 3.936 1.00 0.35 H new ATOM 0 HA CYS A 45 -15.135 4.193 5.596 1.00 0.37 H new ATOM 0 HB2 CYS A 45 -12.692 4.788 5.140 1.00 0.45 H new ATOM 0 HB3 CYS A 45 -12.981 6.286 6.001 1.00 0.45 H new ATOM 430 N ASN A 46 -15.426 7.463 6.115 1.00 0.23 N ATOM 431 CA ASN A 46 -16.240 8.441 6.877 1.00 0.38 C ATOM 432 C ASN A 46 -17.660 8.381 6.320 1.00 0.54 C ATOM 433 O ASN A 46 -18.619 8.225 7.049 1.00 0.72 O ATOM 434 CB ASN A 46 -15.670 9.849 6.700 1.00 0.57 C ATOM 435 CG ASN A 46 -16.084 10.720 7.886 1.00 0.53 C ATOM 436 OD1 ASN A 46 -17.068 11.429 7.820 1.00 1.27 O ATOM 437 ND2 ASN A 46 -15.369 10.697 8.979 1.00 1.41 N ATOM 0 H ASN A 46 -14.756 7.865 5.459 1.00 0.23 H new ATOM 0 HA ASN A 46 -16.231 8.204 7.941 1.00 0.38 H new ATOM 0 HB2 ASN A 46 -14.583 9.806 6.628 1.00 0.57 H new ATOM 0 HB3 ASN A 46 -16.034 10.286 5.770 1.00 0.57 H new ATOM 0 HD21 ASN A 46 -15.637 11.274 9.776 1.00 1.41 H new ATOM 0 HD22 ASN A 46 -14.543 10.102 9.035 1.00 1.41 H new ATOM 444 N LYS A 47 -17.798 8.477 5.021 1.00 0.55 N ATOM 445 CA LYS A 47 -19.150 8.393 4.412 1.00 0.75 C ATOM 446 C LYS A 47 -19.447 6.941 4.023 1.00 0.66 C ATOM 447 O LYS A 47 -20.528 6.620 3.572 1.00 0.78 O ATOM 448 CB LYS A 47 -19.213 9.285 3.171 1.00 0.88 C ATOM 449 CG LYS A 47 -19.266 10.753 3.600 1.00 1.87 C ATOM 450 CD LYS A 47 -18.612 11.623 2.524 1.00 2.99 C ATOM 451 CE LYS A 47 -19.655 12.571 1.930 1.00 3.21 C ATOM 452 NZ LYS A 47 -19.771 13.793 2.781 1.00 3.78 N ATOM 0 H LYS A 47 -17.031 8.610 4.362 1.00 0.55 H new ATOM 0 HA LYS A 47 -19.894 8.732 5.133 1.00 0.75 H new ATOM 0 HB2 LYS A 47 -18.341 9.111 2.540 1.00 0.88 H new ATOM 0 HB3 LYS A 47 -20.092 9.037 2.576 1.00 0.88 H new ATOM 0 HG2 LYS A 47 -20.300 11.061 3.753 1.00 1.87 H new ATOM 0 HG3 LYS A 47 -18.750 10.884 4.551 1.00 1.87 H new ATOM 0 HD2 LYS A 47 -17.789 12.194 2.954 1.00 2.99 H new ATOM 0 HD3 LYS A 47 -18.189 10.994 1.741 1.00 2.99 H new ATOM 0 HE2 LYS A 47 -19.371 12.849 0.915 1.00 3.21 H new ATOM 0 HE3 LYS A 47 -20.620 12.069 1.865 1.00 3.21 H new ATOM 0 HZ1 LYS A 47 -20.481 14.434 2.373 1.00 3.78 H new ATOM 0 HZ2 LYS A 47 -20.062 13.521 3.742 1.00 3.78 H new ATOM 0 HZ3 LYS A 47 -18.851 14.276 2.822 1.00 3.78 H new ATOM 466 N SER A 48 -18.495 6.059 4.185 1.00 0.58 N ATOM 467 CA SER A 48 -18.726 4.638 3.815 1.00 0.58 C ATOM 468 C SER A 48 -19.347 3.896 4.997 1.00 0.84 C ATOM 469 O SER A 48 -18.679 3.555 5.952 1.00 1.73 O ATOM 470 CB SER A 48 -17.394 3.983 3.449 1.00 0.37 C ATOM 471 OG SER A 48 -17.645 2.754 2.779 1.00 0.99 O ATOM 0 H SER A 48 -17.568 6.265 4.558 1.00 0.58 H new ATOM 0 HA SER A 48 -19.402 4.592 2.961 1.00 0.58 H new ATOM 0 HB2 SER A 48 -16.812 4.647 2.810 1.00 0.37 H new ATOM 0 HB3 SER A 48 -16.803 3.807 4.348 1.00 0.37 H new ATOM 0 HG SER A 48 -16.793 2.331 2.541 1.00 0.99 H new ATOM 477 N ASN A 49 -20.624 3.634 4.932 1.00 1.19 N ATOM 478 CA ASN A 49 -21.314 2.908 6.040 1.00 1.30 C ATOM 479 C ASN A 49 -20.492 1.696 6.514 1.00 1.25 C ATOM 480 O ASN A 49 -20.677 1.214 7.613 1.00 1.45 O ATOM 481 CB ASN A 49 -22.681 2.426 5.551 1.00 1.49 C ATOM 482 CG ASN A 49 -23.586 3.631 5.290 1.00 2.14 C ATOM 483 OD1 ASN A 49 -23.385 4.362 4.341 1.00 3.08 O ATOM 484 ND2 ASN A 49 -24.580 3.871 6.100 1.00 2.20 N ATOM 0 H ASN A 49 -21.226 3.894 4.151 1.00 1.19 H new ATOM 0 HA ASN A 49 -21.428 3.594 6.879 1.00 1.30 H new ATOM 0 HB2 ASN A 49 -22.566 1.840 4.639 1.00 1.49 H new ATOM 0 HB3 ASN A 49 -23.135 1.772 6.295 1.00 1.49 H new ATOM 0 HD21 ASN A 49 -25.189 4.673 5.937 1.00 2.20 H new ATOM 0 HD22 ASN A 49 -24.748 3.257 6.897 1.00 2.20 H new ATOM 491 N MET A 50 -19.588 1.197 5.708 1.00 1.32 N ATOM 492 CA MET A 50 -18.775 0.023 6.143 1.00 1.26 C ATOM 493 C MET A 50 -17.521 0.510 6.875 1.00 1.09 C ATOM 494 O MET A 50 -16.433 0.015 6.658 1.00 0.92 O ATOM 495 CB MET A 50 -18.360 -0.795 4.917 1.00 1.10 C ATOM 496 CG MET A 50 -19.368 -1.926 4.693 1.00 1.49 C ATOM 497 SD MET A 50 -18.769 -3.434 5.494 1.00 1.16 S ATOM 498 CE MET A 50 -17.653 -3.967 4.173 1.00 1.22 C ATOM 0 H MET A 50 -19.380 1.550 4.774 1.00 1.32 H new ATOM 0 HA MET A 50 -19.369 -0.599 6.813 1.00 1.26 H new ATOM 0 HB2 MET A 50 -18.315 -0.154 4.037 1.00 1.10 H new ATOM 0 HB3 MET A 50 -17.361 -1.207 5.062 1.00 1.10 H new ATOM 0 HG2 MET A 50 -20.340 -1.647 5.099 1.00 1.49 H new ATOM 0 HG3 MET A 50 -19.506 -2.098 3.626 1.00 1.49 H new ATOM 0 HE1 MET A 50 -17.374 -5.009 4.331 1.00 1.22 H new ATOM 0 HE2 MET A 50 -18.155 -3.868 3.211 1.00 1.22 H new ATOM 0 HE3 MET A 50 -16.757 -3.346 4.181 1.00 1.22 H new ATOM 508 N CYS A 51 -17.662 1.480 7.738 1.00 1.25 N ATOM 509 CA CYS A 51 -16.482 2.003 8.478 1.00 1.31 C ATOM 510 C CYS A 51 -16.949 2.635 9.795 1.00 1.66 C ATOM 511 O CYS A 51 -16.264 3.463 10.361 1.00 1.65 O ATOM 512 CB CYS A 51 -15.808 3.080 7.628 1.00 1.49 C ATOM 513 SG CYS A 51 -14.089 2.634 7.289 1.00 1.13 S ATOM 0 H CYS A 51 -18.548 1.933 7.962 1.00 1.25 H new ATOM 0 HA CYS A 51 -15.785 1.191 8.685 1.00 1.31 H new ATOM 0 HB2 CYS A 51 -16.350 3.204 6.690 1.00 1.49 H new ATOM 0 HB3 CYS A 51 -15.846 4.038 8.147 1.00 1.49 H new ATOM 518 N GLU A 52 -18.126 2.277 10.267 1.00 2.29 N ATOM 519 CA GLU A 52 -18.674 2.874 11.530 1.00 2.69 C ATOM 520 C GLU A 52 -18.431 4.391 11.536 1.00 2.11 C ATOM 521 O GLU A 52 -18.322 5.013 12.573 1.00 2.86 O ATOM 522 CB GLU A 52 -18.024 2.207 12.755 1.00 3.96 C ATOM 523 CG GLU A 52 -16.594 2.722 12.983 1.00 3.24 C ATOM 524 CD GLU A 52 -16.060 2.191 14.318 1.00 4.54 C ATOM 525 OE1 GLU A 52 -16.729 1.367 14.919 1.00 5.67 O ATOM 526 OE2 GLU A 52 -14.988 2.618 14.714 1.00 4.59 O ATOM 0 H GLU A 52 -18.735 1.589 9.824 1.00 2.29 H new ATOM 0 HA GLU A 52 -19.748 2.697 11.577 1.00 2.69 H new ATOM 0 HB2 GLU A 52 -18.628 2.403 13.641 1.00 3.96 H new ATOM 0 HB3 GLU A 52 -18.005 1.126 12.615 1.00 3.96 H new ATOM 0 HG2 GLU A 52 -15.947 2.400 12.167 1.00 3.24 H new ATOM 0 HG3 GLU A 52 -16.586 3.812 12.985 1.00 3.24 H new ATOM 533 N SER A 53 -18.343 4.980 10.370 1.00 1.60 N ATOM 534 CA SER A 53 -18.095 6.445 10.269 1.00 2.73 C ATOM 535 C SER A 53 -16.955 6.850 11.213 1.00 3.93 C ATOM 536 O SER A 53 -17.181 7.357 12.293 1.00 4.12 O ATOM 537 CB SER A 53 -19.364 7.213 10.638 1.00 3.84 C ATOM 538 OG SER A 53 -20.184 7.348 9.485 1.00 3.35 O ATOM 0 H SER A 53 -18.434 4.500 9.475 1.00 1.60 H new ATOM 0 HA SER A 53 -17.814 6.686 9.244 1.00 2.73 H new ATOM 0 HB2 SER A 53 -19.906 6.687 11.424 1.00 3.84 H new ATOM 0 HB3 SER A 53 -19.106 8.196 11.032 1.00 3.84 H new ATOM 0 HG SER A 53 -19.633 7.619 8.721 1.00 3.35 H new ATOM 544 N SER A 54 -15.732 6.624 10.814 1.00 5.11 N ATOM 545 CA SER A 54 -14.583 6.989 11.688 1.00 6.58 C ATOM 546 C SER A 54 -13.275 6.638 10.974 1.00 7.97 C ATOM 547 O SER A 54 -13.216 6.588 9.761 1.00 8.56 O ATOM 548 CB SER A 54 -14.678 6.206 12.999 1.00 7.16 C ATOM 549 OG SER A 54 -14.049 6.946 14.037 1.00 8.44 O ATOM 0 H SER A 54 -15.480 6.202 9.920 1.00 5.11 H new ATOM 0 HA SER A 54 -14.605 8.058 11.901 1.00 6.58 H new ATOM 0 HB2 SER A 54 -15.722 6.021 13.250 1.00 7.16 H new ATOM 0 HB3 SER A 54 -14.200 5.233 12.890 1.00 7.16 H new ATOM 0 HG SER A 54 -14.110 6.447 14.878 1.00 8.44 H new ATOM 555 N LYS A 55 -12.226 6.392 11.711 1.00 8.73 N ATOM 556 CA LYS A 55 -10.928 6.041 11.063 1.00 10.16 C ATOM 557 C LYS A 55 -10.894 4.534 10.808 1.00 9.33 C ATOM 558 O LYS A 55 -10.373 4.071 9.813 1.00 9.78 O ATOM 559 CB LYS A 55 -9.749 6.433 11.971 1.00 12.07 C ATOM 560 CG LYS A 55 -10.094 7.671 12.817 1.00 12.58 C ATOM 561 CD LYS A 55 -10.583 8.815 11.917 1.00 13.03 C ATOM 562 CE LYS A 55 -11.676 9.600 12.647 1.00 13.11 C ATOM 563 NZ LYS A 55 -11.110 10.212 13.883 1.00 14.10 N ATOM 0 H LYS A 55 -12.210 6.418 12.731 1.00 8.73 H new ATOM 0 HA LYS A 55 -10.839 6.585 10.123 1.00 10.16 H new ATOM 0 HB2 LYS A 55 -9.497 5.599 12.626 1.00 12.07 H new ATOM 0 HB3 LYS A 55 -8.868 6.638 11.362 1.00 12.07 H new ATOM 0 HG2 LYS A 55 -10.864 7.418 13.546 1.00 12.58 H new ATOM 0 HG3 LYS A 55 -9.217 7.991 13.379 1.00 12.58 H new ATOM 0 HD2 LYS A 55 -9.753 9.474 11.664 1.00 13.03 H new ATOM 0 HD3 LYS A 55 -10.970 8.416 10.980 1.00 13.03 H new ATOM 0 HE2 LYS A 55 -12.077 10.376 11.995 1.00 13.11 H new ATOM 0 HE3 LYS A 55 -12.504 8.939 12.903 1.00 13.11 H new ATOM 0 HZ1 LYS A 55 -11.769 10.928 14.249 1.00 14.10 H new ATOM 0 HZ2 LYS A 55 -10.966 9.474 14.601 1.00 14.10 H new ATOM 0 HZ3 LYS A 55 -10.199 10.662 13.662 1.00 14.10 H new ATOM 577 N GLU A 56 -11.458 3.766 11.699 1.00 8.25 N ATOM 578 CA GLU A 56 -11.474 2.289 11.514 1.00 7.35 C ATOM 579 C GLU A 56 -12.893 1.777 11.736 1.00 5.62 C ATOM 580 O GLU A 56 -13.821 2.546 11.884 1.00 4.91 O ATOM 581 CB GLU A 56 -10.542 1.633 12.532 1.00 8.28 C ATOM 582 CG GLU A 56 -10.896 2.124 13.936 1.00 8.88 C ATOM 583 CD GLU A 56 -10.001 1.430 14.964 1.00 9.94 C ATOM 584 OE1 GLU A 56 -9.726 0.256 14.785 1.00 9.53 O ATOM 585 OE2 GLU A 56 -9.607 2.086 15.916 1.00 11.23 O ATOM 0 H GLU A 56 -11.910 4.100 12.550 1.00 8.25 H new ATOM 0 HA GLU A 56 -11.140 2.044 10.506 1.00 7.35 H new ATOM 0 HB2 GLU A 56 -10.635 0.548 12.480 1.00 8.28 H new ATOM 0 HB3 GLU A 56 -9.505 1.876 12.301 1.00 8.28 H new ATOM 0 HG2 GLU A 56 -10.767 3.205 13.997 1.00 8.88 H new ATOM 0 HG3 GLU A 56 -11.944 1.915 14.152 1.00 8.88 H new ATOM 592 N ALA A 57 -13.069 0.486 11.768 1.00 5.13 N ATOM 593 CA ALA A 57 -14.430 -0.071 11.989 1.00 3.72 C ATOM 594 C ALA A 57 -14.376 -1.593 11.946 1.00 2.77 C ATOM 595 O ALA A 57 -14.541 -2.265 12.944 1.00 2.46 O ATOM 596 CB ALA A 57 -15.377 0.445 10.902 1.00 2.57 C ATOM 0 H ALA A 57 -12.329 -0.206 11.651 1.00 5.13 H new ATOM 0 HA ALA A 57 -14.796 0.246 12.966 1.00 3.72 H new ATOM 0 HB1 ALA A 57 -16.374 0.036 11.064 1.00 2.57 H new ATOM 0 HB2 ALA A 57 -15.420 1.533 10.943 1.00 2.57 H new ATOM 0 HB3 ALA A 57 -15.012 0.133 9.923 1.00 2.57 H new ATOM 602 N LEU A 58 -14.149 -2.135 10.793 1.00 3.06 N ATOM 603 CA LEU A 58 -14.082 -3.617 10.660 1.00 2.29 C ATOM 604 C LEU A 58 -12.791 -4.006 9.941 1.00 2.76 C ATOM 605 O LEU A 58 -12.698 -3.939 8.732 1.00 2.98 O ATOM 606 CB LEU A 58 -15.286 -4.108 9.856 1.00 2.58 C ATOM 607 CG LEU A 58 -16.570 -3.629 10.531 1.00 2.31 C ATOM 608 CD1 LEU A 58 -17.750 -3.816 9.577 1.00 3.22 C ATOM 609 CD2 LEU A 58 -16.808 -4.445 11.803 1.00 1.37 C ATOM 0 H LEU A 58 -14.005 -1.616 9.927 1.00 3.06 H new ATOM 0 HA LEU A 58 -14.095 -4.074 11.649 1.00 2.29 H new ATOM 0 HB2 LEU A 58 -15.235 -3.730 8.835 1.00 2.58 H new ATOM 0 HB3 LEU A 58 -15.278 -5.196 9.794 1.00 2.58 H new ATOM 0 HG LEU A 58 -16.475 -2.574 10.786 1.00 2.31 H new ATOM 0 HD11 LEU A 58 -18.666 -3.474 10.059 1.00 3.22 H new ATOM 0 HD12 LEU A 58 -17.580 -3.237 8.670 1.00 3.22 H new ATOM 0 HD13 LEU A 58 -17.847 -4.871 9.321 1.00 3.22 H new ATOM 0 HD21 LEU A 58 -17.724 -4.105 12.287 1.00 1.37 H new ATOM 0 HD22 LEU A 58 -16.903 -5.500 11.546 1.00 1.37 H new ATOM 0 HD23 LEU A 58 -15.967 -4.312 12.483 1.00 1.37 H new ATOM 621 N ALA A 59 -11.794 -4.411 10.678 1.00 3.10 N ATOM 622 CA ALA A 59 -10.506 -4.804 10.040 1.00 3.66 C ATOM 623 C ALA A 59 -10.197 -6.265 10.374 1.00 3.39 C ATOM 624 O ALA A 59 -9.087 -6.609 10.727 1.00 3.77 O ATOM 625 CB ALA A 59 -9.382 -3.911 10.571 1.00 4.33 C ATOM 0 H ALA A 59 -11.815 -4.487 11.695 1.00 3.10 H new ATOM 0 HA ALA A 59 -10.584 -4.687 8.959 1.00 3.66 H new ATOM 0 HB1 ALA A 59 -8.439 -4.197 10.105 1.00 4.33 H new ATOM 0 HB2 ALA A 59 -9.602 -2.870 10.335 1.00 4.33 H new ATOM 0 HB3 ALA A 59 -9.303 -4.029 11.652 1.00 4.33 H new ATOM 631 N GLU A 60 -11.171 -7.127 10.269 1.00 2.82 N ATOM 632 CA GLU A 60 -10.931 -8.563 10.587 1.00 2.66 C ATOM 633 C GLU A 60 -11.099 -9.408 9.320 1.00 2.04 C ATOM 634 O GLU A 60 -11.431 -10.574 9.383 1.00 1.63 O ATOM 635 CB GLU A 60 -11.937 -9.024 11.645 1.00 2.60 C ATOM 636 CG GLU A 60 -11.344 -10.190 12.439 1.00 2.92 C ATOM 637 CD GLU A 60 -12.255 -11.411 12.309 1.00 2.45 C ATOM 638 OE1 GLU A 60 -13.242 -11.470 13.026 1.00 2.96 O ATOM 639 OE2 GLU A 60 -11.952 -12.267 11.494 1.00 2.28 O ATOM 0 H GLU A 60 -12.121 -6.899 9.977 1.00 2.82 H new ATOM 0 HA GLU A 60 -9.917 -8.684 10.969 1.00 2.66 H new ATOM 0 HB2 GLU A 60 -12.179 -8.199 12.315 1.00 2.60 H new ATOM 0 HB3 GLU A 60 -12.868 -9.331 11.168 1.00 2.60 H new ATOM 0 HG2 GLU A 60 -10.346 -10.426 12.068 1.00 2.92 H new ATOM 0 HG3 GLU A 60 -11.237 -9.913 13.488 1.00 2.92 H new ATOM 646 N ASN A 61 -10.870 -8.832 8.169 1.00 2.06 N ATOM 647 CA ASN A 61 -11.018 -9.611 6.905 1.00 1.47 C ATOM 648 C ASN A 61 -9.632 -9.965 6.358 1.00 1.48 C ATOM 649 O ASN A 61 -9.323 -11.117 6.128 1.00 1.67 O ATOM 650 CB ASN A 61 -11.778 -8.776 5.873 1.00 1.32 C ATOM 651 CG ASN A 61 -13.230 -8.605 6.322 1.00 1.96 C ATOM 652 OD1 ASN A 61 -13.987 -9.555 6.344 1.00 1.91 O ATOM 653 ND2 ASN A 61 -13.653 -7.425 6.685 1.00 3.33 N ATOM 0 H ASN A 61 -10.588 -7.859 8.050 1.00 2.06 H new ATOM 0 HA ASN A 61 -11.573 -10.527 7.107 1.00 1.47 H new ATOM 0 HB2 ASN A 61 -11.305 -7.801 5.759 1.00 1.32 H new ATOM 0 HB3 ASN A 61 -11.743 -9.263 4.899 1.00 1.32 H new ATOM 0 HD21 ASN A 61 -14.619 -7.300 6.987 1.00 3.33 H new ATOM 0 HD22 ASN A 61 -13.017 -6.627 6.667 1.00 3.33 H new ATOM 660 N ASN A 62 -8.797 -8.981 6.149 1.00 1.53 N ATOM 661 CA ASN A 62 -7.427 -9.246 5.620 1.00 1.59 C ATOM 662 C ASN A 62 -7.506 -9.658 4.150 1.00 1.06 C ATOM 663 O ASN A 62 -7.936 -10.745 3.818 1.00 0.84 O ATOM 664 CB ASN A 62 -6.754 -10.362 6.428 1.00 1.88 C ATOM 665 CG ASN A 62 -6.975 -10.124 7.922 1.00 2.10 C ATOM 666 OD1 ASN A 62 -8.031 -10.413 8.448 1.00 2.08 O ATOM 667 ND2 ASN A 62 -6.013 -9.605 8.635 1.00 2.75 N ATOM 0 H ASN A 62 -9.007 -7.998 6.323 1.00 1.53 H new ATOM 0 HA ASN A 62 -6.837 -8.334 5.709 1.00 1.59 H new ATOM 0 HB2 ASN A 62 -7.164 -11.330 6.140 1.00 1.88 H new ATOM 0 HB3 ASN A 62 -5.687 -10.390 6.209 1.00 1.88 H new ATOM 0 HD21 ASN A 62 -6.148 -9.442 9.633 1.00 2.75 H new ATOM 0 HD22 ASN A 62 -5.126 -9.362 8.194 1.00 2.75 H new ATOM 674 N LEU A 63 -7.081 -8.796 3.273 1.00 1.24 N ATOM 675 CA LEU A 63 -7.110 -9.117 1.820 1.00 0.77 C ATOM 676 C LEU A 63 -5.941 -10.047 1.492 1.00 0.94 C ATOM 677 O LEU A 63 -5.304 -10.589 2.375 1.00 1.32 O ATOM 678 CB LEU A 63 -6.975 -7.818 1.028 1.00 0.62 C ATOM 679 CG LEU A 63 -8.356 -7.340 0.586 1.00 0.20 C ATOM 680 CD1 LEU A 63 -8.381 -5.812 0.577 1.00 0.48 C ATOM 681 CD2 LEU A 63 -8.650 -7.863 -0.822 1.00 0.54 C ATOM 0 H LEU A 63 -6.711 -7.873 3.502 1.00 1.24 H new ATOM 0 HA LEU A 63 -8.047 -9.609 1.559 1.00 0.77 H new ATOM 0 HB2 LEU A 63 -6.494 -7.055 1.641 1.00 0.62 H new ATOM 0 HB3 LEU A 63 -6.338 -7.976 0.158 1.00 0.62 H new ATOM 0 HG LEU A 63 -9.112 -7.715 1.277 1.00 0.20 H new ATOM 0 HD11 LEU A 63 -9.365 -5.466 0.262 1.00 0.48 H new ATOM 0 HD12 LEU A 63 -8.169 -5.439 1.579 1.00 0.48 H new ATOM 0 HD13 LEU A 63 -7.627 -5.440 -0.116 1.00 0.48 H new ATOM 0 HD21 LEU A 63 -9.636 -7.522 -1.138 1.00 0.54 H new ATOM 0 HD22 LEU A 63 -7.897 -7.487 -1.514 1.00 0.54 H new ATOM 0 HD23 LEU A 63 -8.627 -8.953 -0.817 1.00 0.54 H new ATOM 693 N ASN A 64 -5.648 -10.241 0.236 1.00 0.92 N ATOM 694 CA ASN A 64 -4.516 -11.137 -0.127 1.00 1.33 C ATOM 695 C ASN A 64 -3.311 -10.292 -0.536 1.00 1.29 C ATOM 696 O ASN A 64 -2.881 -10.308 -1.673 1.00 1.78 O ATOM 697 CB ASN A 64 -4.929 -12.052 -1.282 1.00 1.60 C ATOM 698 CG ASN A 64 -5.027 -13.493 -0.780 1.00 1.12 C ATOM 699 OD1 ASN A 64 -5.870 -13.808 0.036 1.00 1.65 O ATOM 700 ND2 ASN A 64 -4.191 -14.388 -1.232 1.00 1.58 N ATOM 0 H ASN A 64 -6.141 -9.820 -0.551 1.00 0.92 H new ATOM 0 HA ASN A 64 -4.249 -11.752 0.733 1.00 1.33 H new ATOM 0 HB2 ASN A 64 -5.888 -11.731 -1.689 1.00 1.60 H new ATOM 0 HB3 ASN A 64 -4.201 -11.986 -2.091 1.00 1.60 H new ATOM 0 HD21 ASN A 64 -4.246 -15.351 -0.900 1.00 1.58 H new ATOM 0 HD22 ASN A 64 -3.483 -14.124 -1.917 1.00 1.58 H new ATOM 707 N LEU A 65 -2.763 -9.555 0.386 1.00 1.05 N ATOM 708 CA LEU A 65 -1.583 -8.712 0.061 1.00 0.99 C ATOM 709 C LEU A 65 -0.573 -8.799 1.216 1.00 1.08 C ATOM 710 O LEU A 65 -0.939 -9.156 2.318 1.00 1.44 O ATOM 711 CB LEU A 65 -2.035 -7.264 -0.144 1.00 0.84 C ATOM 712 CG LEU A 65 -2.667 -6.719 1.136 1.00 0.87 C ATOM 713 CD1 LEU A 65 -2.332 -5.231 1.261 1.00 0.57 C ATOM 714 CD2 LEU A 65 -4.185 -6.891 1.065 1.00 1.01 C ATOM 0 H LEU A 65 -3.082 -9.500 1.353 1.00 1.05 H new ATOM 0 HA LEU A 65 -1.110 -9.065 -0.855 1.00 0.99 H new ATOM 0 HB2 LEU A 65 -1.183 -6.647 -0.428 1.00 0.84 H new ATOM 0 HB3 LEU A 65 -2.753 -7.212 -0.963 1.00 0.84 H new ATOM 0 HG LEU A 65 -2.280 -7.260 1.999 1.00 0.87 H new ATOM 0 HD11 LEU A 65 -2.779 -4.833 2.172 1.00 0.57 H new ATOM 0 HD12 LEU A 65 -1.250 -5.104 1.302 1.00 0.57 H new ATOM 0 HD13 LEU A 65 -2.728 -4.695 0.398 1.00 0.57 H new ATOM 0 HD21 LEU A 65 -4.638 -6.503 1.977 1.00 1.01 H new ATOM 0 HD22 LEU A 65 -4.573 -6.344 0.206 1.00 1.01 H new ATOM 0 HD23 LEU A 65 -4.427 -7.949 0.961 1.00 1.01 H new ATOM 726 N PRO A 66 0.674 -8.485 0.937 1.00 2.09 N ATOM 727 CA PRO A 66 1.741 -8.543 1.954 1.00 2.18 C ATOM 728 C PRO A 66 1.643 -7.357 2.918 1.00 1.41 C ATOM 729 O PRO A 66 1.328 -6.250 2.531 1.00 2.45 O ATOM 730 CB PRO A 66 3.031 -8.480 1.131 1.00 3.98 C ATOM 731 CG PRO A 66 2.654 -7.836 -0.223 1.00 4.81 C ATOM 732 CD PRO A 66 1.139 -8.042 -0.399 1.00 3.62 C ATOM 0 HA PRO A 66 1.684 -9.435 2.577 1.00 2.18 H new ATOM 0 HB2 PRO A 66 3.790 -7.890 1.644 1.00 3.98 H new ATOM 0 HB3 PRO A 66 3.447 -9.477 0.984 1.00 3.98 H new ATOM 0 HG2 PRO A 66 2.905 -6.775 -0.231 1.00 4.81 H new ATOM 0 HG3 PRO A 66 3.206 -8.300 -1.040 1.00 4.81 H new ATOM 0 HD2 PRO A 66 0.645 -7.120 -0.707 1.00 3.62 H new ATOM 0 HD3 PRO A 66 0.925 -8.789 -1.163 1.00 3.62 H new ATOM 740 N LYS A 67 1.915 -7.587 4.175 1.00 0.65 N ATOM 741 CA LYS A 67 1.844 -6.483 5.174 1.00 1.94 C ATOM 742 C LYS A 67 3.024 -6.599 6.139 1.00 1.47 C ATOM 743 O LYS A 67 3.888 -7.438 5.980 1.00 1.03 O ATOM 744 CB LYS A 67 0.534 -6.592 5.958 1.00 3.17 C ATOM 745 CG LYS A 67 -0.647 -6.393 5.008 1.00 4.20 C ATOM 746 CD LYS A 67 -1.800 -5.718 5.756 1.00 5.94 C ATOM 747 CE LYS A 67 -2.453 -6.722 6.708 1.00 6.64 C ATOM 748 NZ LYS A 67 -3.762 -6.181 7.174 1.00 8.16 N ATOM 0 H LYS A 67 2.184 -8.495 4.553 1.00 0.65 H new ATOM 0 HA LYS A 67 1.883 -5.522 4.662 1.00 1.94 H new ATOM 0 HB2 LYS A 67 0.466 -7.567 6.440 1.00 3.17 H new ATOM 0 HB3 LYS A 67 0.508 -5.843 6.749 1.00 3.17 H new ATOM 0 HG2 LYS A 67 -0.344 -5.781 4.158 1.00 4.20 H new ATOM 0 HG3 LYS A 67 -0.972 -7.354 4.609 1.00 4.20 H new ATOM 0 HD2 LYS A 67 -1.430 -4.859 6.316 1.00 5.94 H new ATOM 0 HD3 LYS A 67 -2.537 -5.343 5.046 1.00 5.94 H new ATOM 0 HE2 LYS A 67 -2.600 -7.677 6.203 1.00 6.64 H new ATOM 0 HE3 LYS A 67 -1.800 -6.910 7.560 1.00 6.64 H new ATOM 0 HZ1 LYS A 67 -4.208 -6.862 7.821 1.00 8.16 H new ATOM 0 HZ2 LYS A 67 -3.608 -5.280 7.671 1.00 8.16 H new ATOM 0 HZ3 LYS A 67 -4.384 -6.023 6.355 1.00 8.16 H new ATOM 762 N MET A 68 3.068 -5.766 7.143 1.00 1.84 N ATOM 763 CA MET A 68 4.191 -5.834 8.119 1.00 1.39 C ATOM 764 C MET A 68 3.757 -6.669 9.327 1.00 1.16 C ATOM 765 O MET A 68 2.598 -6.996 9.481 1.00 1.21 O ATOM 766 CB MET A 68 4.561 -4.421 8.578 1.00 1.53 C ATOM 767 CG MET A 68 5.616 -3.835 7.635 1.00 1.11 C ATOM 768 SD MET A 68 5.244 -2.091 7.325 1.00 1.82 S ATOM 769 CE MET A 68 6.610 -1.764 6.184 1.00 1.33 C ATOM 0 H MET A 68 2.374 -5.042 7.329 1.00 1.84 H new ATOM 0 HA MET A 68 5.058 -6.295 7.647 1.00 1.39 H new ATOM 0 HB2 MET A 68 3.675 -3.787 8.587 1.00 1.53 H new ATOM 0 HB3 MET A 68 4.945 -4.448 9.598 1.00 1.53 H new ATOM 0 HG2 MET A 68 6.608 -3.934 8.075 1.00 1.11 H new ATOM 0 HG3 MET A 68 5.628 -4.388 6.696 1.00 1.11 H new ATOM 0 HE1 MET A 68 7.411 -1.249 6.714 1.00 1.33 H new ATOM 0 HE2 MET A 68 6.985 -2.707 5.786 1.00 1.33 H new ATOM 0 HE3 MET A 68 6.257 -1.139 5.364 1.00 1.33 H new ATOM 779 N ALA A 69 4.678 -7.018 10.184 1.00 0.94 N ATOM 780 CA ALA A 69 4.311 -7.833 11.377 1.00 0.80 C ATOM 781 C ALA A 69 5.409 -7.716 12.436 1.00 0.87 C ATOM 782 O ALA A 69 6.180 -6.777 12.446 1.00 1.09 O ATOM 783 CB ALA A 69 4.159 -9.300 10.968 1.00 0.54 C ATOM 0 H ALA A 69 5.666 -6.775 10.110 1.00 0.94 H new ATOM 0 HA ALA A 69 3.369 -7.468 11.786 1.00 0.80 H new ATOM 0 HB1 ALA A 69 3.891 -9.895 11.841 1.00 0.54 H new ATOM 0 HB2 ALA A 69 3.377 -9.388 10.214 1.00 0.54 H new ATOM 0 HB3 ALA A 69 5.101 -9.663 10.557 1.00 0.54 H new ATOM 789 N GLU A 70 5.486 -8.665 13.329 1.00 0.91 N ATOM 790 CA GLU A 70 6.532 -8.612 14.389 1.00 1.01 C ATOM 791 C GLU A 70 7.831 -9.214 13.851 1.00 0.80 C ATOM 792 O GLU A 70 8.888 -8.620 13.943 1.00 0.86 O ATOM 793 CB GLU A 70 6.063 -9.414 15.606 1.00 1.06 C ATOM 794 CG GLU A 70 6.917 -9.045 16.821 1.00 1.43 C ATOM 795 CD GLU A 70 6.573 -9.974 17.988 1.00 1.94 C ATOM 796 OE1 GLU A 70 7.029 -11.106 17.972 1.00 2.33 O ATOM 797 OE2 GLU A 70 5.862 -9.538 18.876 1.00 2.43 O ATOM 0 H GLU A 70 4.869 -9.476 13.370 1.00 0.91 H new ATOM 0 HA GLU A 70 6.705 -7.576 14.681 1.00 1.01 H new ATOM 0 HB2 GLU A 70 5.013 -9.205 15.810 1.00 1.06 H new ATOM 0 HB3 GLU A 70 6.142 -10.482 15.403 1.00 1.06 H new ATOM 0 HG2 GLU A 70 7.975 -9.130 16.574 1.00 1.43 H new ATOM 0 HG3 GLU A 70 6.738 -8.008 17.103 1.00 1.43 H new ATOM 804 N LYS A 71 7.763 -10.392 13.294 1.00 0.69 N ATOM 805 CA LYS A 71 8.994 -11.035 12.753 1.00 0.53 C ATOM 806 C LYS A 71 9.398 -10.364 11.437 1.00 0.63 C ATOM 807 O LYS A 71 10.512 -10.512 10.975 1.00 0.63 O ATOM 808 CB LYS A 71 8.724 -12.521 12.505 1.00 0.59 C ATOM 809 CG LYS A 71 9.977 -13.182 11.926 1.00 1.31 C ATOM 810 CD LYS A 71 9.868 -14.700 12.072 1.00 1.59 C ATOM 811 CE LYS A 71 8.954 -15.253 10.977 1.00 1.68 C ATOM 812 NZ LYS A 71 9.750 -16.106 10.050 1.00 3.04 N ATOM 0 H LYS A 71 6.907 -10.938 13.190 1.00 0.69 H new ATOM 0 HA LYS A 71 9.803 -10.924 13.475 1.00 0.53 H new ATOM 0 HB2 LYS A 71 8.441 -13.010 13.437 1.00 0.59 H new ATOM 0 HB3 LYS A 71 7.887 -12.639 11.816 1.00 0.59 H new ATOM 0 HG2 LYS A 71 10.089 -12.914 10.875 1.00 1.31 H new ATOM 0 HG3 LYS A 71 10.865 -12.819 12.444 1.00 1.31 H new ATOM 0 HD2 LYS A 71 10.856 -15.155 12.000 1.00 1.59 H new ATOM 0 HD3 LYS A 71 9.471 -14.954 13.055 1.00 1.59 H new ATOM 0 HE2 LYS A 71 8.147 -15.835 11.422 1.00 1.68 H new ATOM 0 HE3 LYS A 71 8.491 -14.434 10.427 1.00 1.68 H new ATOM 0 HZ1 LYS A 71 9.129 -16.482 9.305 1.00 3.04 H new ATOM 0 HZ2 LYS A 71 10.505 -15.537 9.617 1.00 3.04 H new ATOM 0 HZ3 LYS A 71 10.172 -16.895 10.580 1.00 3.04 H new ATOM 826 N ASP A 72 8.507 -9.630 10.823 1.00 0.89 N ATOM 827 CA ASP A 72 8.851 -8.958 9.535 1.00 1.13 C ATOM 828 C ASP A 72 10.141 -8.148 9.703 1.00 0.71 C ATOM 829 O ASP A 72 10.980 -8.114 8.825 1.00 0.65 O ATOM 830 CB ASP A 72 7.712 -8.024 9.127 1.00 1.60 C ATOM 831 CG ASP A 72 7.351 -8.273 7.662 1.00 1.95 C ATOM 832 OD1 ASP A 72 6.722 -9.282 7.391 1.00 2.88 O ATOM 833 OD2 ASP A 72 7.710 -7.450 6.836 1.00 1.72 O ATOM 0 H ASP A 72 7.557 -9.467 11.157 1.00 0.89 H new ATOM 0 HA ASP A 72 8.998 -9.713 8.763 1.00 1.13 H new ATOM 0 HB2 ASP A 72 6.842 -8.195 9.761 1.00 1.60 H new ATOM 0 HB3 ASP A 72 8.011 -6.985 9.268 1.00 1.60 H new ATOM 838 N GLY A 73 10.305 -7.500 10.823 1.00 0.54 N ATOM 839 CA GLY A 73 11.542 -6.697 11.046 1.00 0.32 C ATOM 840 C GLY A 73 11.287 -5.240 10.658 1.00 0.38 C ATOM 841 O GLY A 73 12.176 -4.539 10.215 1.00 0.62 O ATOM 0 H GLY A 73 9.637 -7.491 11.594 1.00 0.54 H new ATOM 0 HA2 GLY A 73 11.843 -6.758 12.092 1.00 0.32 H new ATOM 0 HA3 GLY A 73 12.362 -7.103 10.454 1.00 0.32 H new ATOM 845 N CYS A 74 10.080 -4.775 10.825 1.00 0.60 N ATOM 846 CA CYS A 74 9.768 -3.362 10.471 1.00 0.91 C ATOM 847 C CYS A 74 9.258 -2.633 11.715 1.00 1.17 C ATOM 848 O CYS A 74 8.453 -1.726 11.630 1.00 1.47 O ATOM 849 CB CYS A 74 8.694 -3.333 9.381 1.00 1.00 C ATOM 850 SG CYS A 74 9.317 -4.162 7.897 1.00 1.47 S ATOM 0 H CYS A 74 9.295 -5.313 11.192 1.00 0.60 H new ATOM 0 HA CYS A 74 10.667 -2.869 10.102 1.00 0.91 H new ATOM 0 HB2 CYS A 74 7.789 -3.828 9.734 1.00 1.00 H new ATOM 0 HB3 CYS A 74 8.424 -2.303 9.149 1.00 1.00 H new ATOM 855 N PHE A 75 9.718 -3.025 12.872 1.00 1.08 N ATOM 856 CA PHE A 75 9.260 -2.360 14.125 1.00 1.34 C ATOM 857 C PHE A 75 10.416 -2.288 15.120 1.00 1.47 C ATOM 858 O PHE A 75 10.938 -1.230 15.408 1.00 2.78 O ATOM 859 CB PHE A 75 8.113 -3.165 14.738 1.00 1.27 C ATOM 860 CG PHE A 75 6.850 -2.926 13.945 1.00 1.38 C ATOM 861 CD1 PHE A 75 6.118 -1.747 14.132 1.00 1.85 C ATOM 862 CD2 PHE A 75 6.414 -3.882 13.021 1.00 1.34 C ATOM 863 CE1 PHE A 75 4.948 -1.525 13.395 1.00 1.95 C ATOM 864 CE2 PHE A 75 5.244 -3.661 12.285 1.00 1.44 C ATOM 865 CZ PHE A 75 4.512 -2.483 12.471 1.00 1.60 C ATOM 0 H PHE A 75 10.393 -3.779 13.004 1.00 1.08 H new ATOM 0 HA PHE A 75 8.917 -1.351 13.894 1.00 1.34 H new ATOM 0 HB2 PHE A 75 8.359 -4.227 14.738 1.00 1.27 H new ATOM 0 HB3 PHE A 75 7.964 -2.872 15.777 1.00 1.27 H new ATOM 0 HD1 PHE A 75 6.456 -1.009 14.845 1.00 1.85 H new ATOM 0 HD2 PHE A 75 6.980 -4.790 12.876 1.00 1.34 H new ATOM 0 HE1 PHE A 75 4.383 -0.616 13.539 1.00 1.95 H new ATOM 0 HE2 PHE A 75 4.906 -4.400 11.573 1.00 1.44 H new ATOM 0 HZ PHE A 75 3.610 -2.312 11.902 1.00 1.60 H new ATOM 875 N GLN A 76 10.814 -3.410 15.644 1.00 1.06 N ATOM 876 CA GLN A 76 11.934 -3.431 16.627 1.00 0.94 C ATOM 877 C GLN A 76 12.160 -4.871 17.075 1.00 1.00 C ATOM 878 O GLN A 76 13.273 -5.296 17.314 1.00 0.95 O ATOM 879 CB GLN A 76 11.568 -2.578 17.845 1.00 0.94 C ATOM 880 CG GLN A 76 12.838 -2.229 18.624 1.00 0.54 C ATOM 881 CD GLN A 76 12.471 -1.872 20.066 1.00 0.81 C ATOM 882 OE1 GLN A 76 11.570 -1.091 20.299 1.00 1.58 O ATOM 883 NE2 GLN A 76 13.136 -2.413 21.049 1.00 1.43 N ATOM 0 H GLN A 76 10.409 -4.322 15.433 1.00 1.06 H new ATOM 0 HA GLN A 76 12.837 -3.031 16.166 1.00 0.94 H new ATOM 0 HB2 GLN A 76 11.063 -1.667 17.525 1.00 0.94 H new ATOM 0 HB3 GLN A 76 10.873 -3.120 18.486 1.00 0.94 H new ATOM 0 HG2 GLN A 76 13.528 -3.072 18.611 1.00 0.54 H new ATOM 0 HG3 GLN A 76 13.350 -1.391 18.150 1.00 0.54 H new ATOM 0 HE21 GLN A 76 13.892 -3.069 20.853 1.00 1.43 H new ATOM 0 HE22 GLN A 76 12.900 -2.180 22.014 1.00 1.43 H new ATOM 892 N SER A 77 11.102 -5.627 17.190 1.00 1.13 N ATOM 893 CA SER A 77 11.242 -7.046 17.623 1.00 1.24 C ATOM 894 C SER A 77 11.565 -7.919 16.408 1.00 1.78 C ATOM 895 O SER A 77 10.712 -8.604 15.882 1.00 2.36 O ATOM 896 CB SER A 77 9.932 -7.520 18.253 1.00 1.18 C ATOM 897 OG SER A 77 9.305 -6.429 18.916 1.00 1.96 O ATOM 0 H SER A 77 10.147 -5.323 17.003 1.00 1.13 H new ATOM 0 HA SER A 77 12.047 -7.124 18.354 1.00 1.24 H new ATOM 0 HB2 SER A 77 9.271 -7.922 17.485 1.00 1.18 H new ATOM 0 HB3 SER A 77 10.127 -8.326 18.960 1.00 1.18 H new ATOM 0 HG SER A 77 8.464 -6.731 19.319 1.00 1.96 H new ATOM 903 N GLY A 78 12.790 -7.898 15.960 1.00 1.61 N ATOM 904 CA GLY A 78 13.166 -8.726 14.777 1.00 2.11 C ATOM 905 C GLY A 78 13.524 -7.808 13.608 1.00 1.84 C ATOM 906 O GLY A 78 13.438 -8.189 12.457 1.00 1.80 O ATOM 0 H GLY A 78 13.547 -7.344 16.361 1.00 1.61 H new ATOM 0 HA2 GLY A 78 14.012 -9.368 15.022 1.00 2.11 H new ATOM 0 HA3 GLY A 78 12.340 -9.381 14.500 1.00 2.11 H new ATOM 910 N PHE A 79 13.927 -6.600 13.893 1.00 1.65 N ATOM 911 CA PHE A 79 14.292 -5.657 12.801 1.00 1.41 C ATOM 912 C PHE A 79 15.534 -6.180 12.075 1.00 1.33 C ATOM 913 O PHE A 79 16.649 -5.998 12.524 1.00 0.99 O ATOM 914 CB PHE A 79 14.592 -4.284 13.407 1.00 1.34 C ATOM 915 CG PHE A 79 14.562 -3.234 12.324 1.00 1.25 C ATOM 916 CD1 PHE A 79 13.336 -2.761 11.842 1.00 1.25 C ATOM 917 CD2 PHE A 79 15.761 -2.730 11.804 1.00 1.33 C ATOM 918 CE1 PHE A 79 13.308 -1.785 10.839 1.00 1.17 C ATOM 919 CE2 PHE A 79 15.731 -1.753 10.801 1.00 1.24 C ATOM 920 CZ PHE A 79 14.505 -1.281 10.319 1.00 1.07 C ATOM 0 H PHE A 79 14.019 -6.226 14.837 1.00 1.65 H new ATOM 0 HA PHE A 79 13.468 -5.572 12.092 1.00 1.41 H new ATOM 0 HB2 PHE A 79 13.858 -4.047 14.177 1.00 1.34 H new ATOM 0 HB3 PHE A 79 15.569 -4.294 13.890 1.00 1.34 H new ATOM 0 HD1 PHE A 79 12.412 -3.149 12.244 1.00 1.25 H new ATOM 0 HD2 PHE A 79 16.707 -3.094 12.176 1.00 1.33 H new ATOM 0 HE1 PHE A 79 12.362 -1.421 10.466 1.00 1.17 H new ATOM 0 HE2 PHE A 79 16.655 -1.364 10.399 1.00 1.24 H new ATOM 0 HZ PHE A 79 14.483 -0.528 9.546 1.00 1.07 H new ATOM 930 N ASN A 80 15.353 -6.833 10.960 1.00 1.69 N ATOM 931 CA ASN A 80 16.527 -7.368 10.215 1.00 1.74 C ATOM 932 C ASN A 80 16.962 -6.383 9.128 1.00 1.84 C ATOM 933 O ASN A 80 17.820 -6.681 8.324 1.00 3.02 O ATOM 934 CB ASN A 80 16.157 -8.706 9.573 1.00 1.84 C ATOM 935 CG ASN A 80 17.427 -9.524 9.330 1.00 1.73 C ATOM 936 OD1 ASN A 80 18.488 -9.177 9.808 1.00 1.58 O ATOM 937 ND2 ASN A 80 17.362 -10.605 8.603 1.00 2.31 N ATOM 0 H ASN A 80 14.445 -7.019 10.534 1.00 1.69 H new ATOM 0 HA ASN A 80 17.352 -7.510 10.913 1.00 1.74 H new ATOM 0 HB2 ASN A 80 15.476 -9.257 10.222 1.00 1.84 H new ATOM 0 HB3 ASN A 80 15.634 -8.538 8.631 1.00 1.84 H new ATOM 0 HD21 ASN A 80 18.202 -11.159 8.436 1.00 2.31 H new ATOM 0 HD22 ASN A 80 16.471 -10.897 8.201 1.00 2.31 H new ATOM 944 N GLU A 81 16.394 -5.208 9.108 1.00 1.32 N ATOM 945 CA GLU A 81 16.788 -4.199 8.086 1.00 1.24 C ATOM 946 C GLU A 81 16.570 -4.747 6.667 1.00 1.23 C ATOM 947 O GLU A 81 15.534 -4.549 6.073 1.00 1.49 O ATOM 948 CB GLU A 81 18.261 -3.831 8.280 1.00 1.36 C ATOM 949 CG GLU A 81 18.362 -2.551 9.111 1.00 0.88 C ATOM 950 CD GLU A 81 19.770 -1.970 8.986 1.00 0.65 C ATOM 951 OE1 GLU A 81 20.296 -1.973 7.885 1.00 0.85 O ATOM 952 OE2 GLU A 81 20.299 -1.531 9.994 1.00 0.54 O ATOM 0 H GLU A 81 15.671 -4.903 9.759 1.00 1.32 H new ATOM 0 HA GLU A 81 16.167 -3.312 8.209 1.00 1.24 H new ATOM 0 HB2 GLU A 81 18.787 -4.644 8.780 1.00 1.36 H new ATOM 0 HB3 GLU A 81 18.742 -3.688 7.312 1.00 1.36 H new ATOM 0 HG2 GLU A 81 17.626 -1.824 8.769 1.00 0.88 H new ATOM 0 HG3 GLU A 81 18.137 -2.765 10.156 1.00 0.88 H new ATOM 959 N GLU A 82 17.549 -5.412 6.114 1.00 0.93 N ATOM 960 CA GLU A 82 17.413 -5.951 4.728 1.00 0.90 C ATOM 961 C GLU A 82 16.094 -6.723 4.561 1.00 0.80 C ATOM 962 O GLU A 82 15.576 -6.834 3.467 1.00 0.68 O ATOM 963 CB GLU A 82 18.594 -6.887 4.446 1.00 1.05 C ATOM 964 CG GLU A 82 18.435 -7.531 3.065 1.00 1.46 C ATOM 965 CD GLU A 82 18.029 -8.997 3.230 1.00 2.26 C ATOM 966 OE1 GLU A 82 18.666 -9.682 4.013 1.00 2.19 O ATOM 967 OE2 GLU A 82 17.088 -9.408 2.572 1.00 3.35 O ATOM 0 H GLU A 82 18.443 -5.607 6.565 1.00 0.93 H new ATOM 0 HA GLU A 82 17.409 -5.119 4.024 1.00 0.90 H new ATOM 0 HB2 GLU A 82 19.529 -6.329 4.491 1.00 1.05 H new ATOM 0 HB3 GLU A 82 18.647 -7.660 5.213 1.00 1.05 H new ATOM 0 HG2 GLU A 82 17.681 -6.996 2.487 1.00 1.46 H new ATOM 0 HG3 GLU A 82 19.370 -7.462 2.510 1.00 1.46 H new ATOM 974 N THR A 83 15.544 -7.260 5.617 1.00 0.86 N ATOM 975 CA THR A 83 14.274 -8.023 5.472 1.00 0.81 C ATOM 976 C THR A 83 13.108 -7.050 5.349 1.00 0.69 C ATOM 977 O THR A 83 12.182 -7.266 4.592 1.00 0.59 O ATOM 978 CB THR A 83 14.070 -8.921 6.695 1.00 0.96 C ATOM 979 OG1 THR A 83 15.221 -9.735 6.877 1.00 1.06 O ATOM 980 CG2 THR A 83 12.847 -9.812 6.478 1.00 0.96 C ATOM 0 H THR A 83 15.916 -7.204 6.565 1.00 0.86 H new ATOM 0 HA THR A 83 14.324 -8.643 4.577 1.00 0.81 H new ATOM 0 HB THR A 83 13.915 -8.302 7.579 1.00 0.96 H new ATOM 0 HG1 THR A 83 14.947 -10.670 6.983 1.00 1.06 H new ATOM 0 HG21 THR A 83 12.703 -10.451 7.349 1.00 0.96 H new ATOM 0 HG22 THR A 83 11.964 -9.189 6.335 1.00 0.96 H new ATOM 0 HG23 THR A 83 13.001 -10.432 5.595 1.00 0.96 H new ATOM 988 N CYS A 84 13.142 -5.977 6.084 1.00 0.72 N ATOM 989 CA CYS A 84 12.033 -4.995 6.002 1.00 0.62 C ATOM 990 C CYS A 84 12.029 -4.349 4.613 1.00 0.55 C ATOM 991 O CYS A 84 11.011 -4.274 3.949 1.00 0.52 O ATOM 992 CB CYS A 84 12.219 -3.917 7.071 1.00 0.62 C ATOM 993 SG CYS A 84 10.723 -2.903 7.175 1.00 1.09 S ATOM 0 H CYS A 84 13.889 -5.739 6.737 1.00 0.72 H new ATOM 0 HA CYS A 84 11.084 -5.504 6.169 1.00 0.62 H new ATOM 0 HB2 CYS A 84 12.425 -4.379 8.036 1.00 0.62 H new ATOM 0 HB3 CYS A 84 13.078 -3.292 6.827 1.00 0.62 H new ATOM 998 N LEU A 85 13.164 -3.881 4.167 1.00 0.56 N ATOM 999 CA LEU A 85 13.237 -3.238 2.827 1.00 0.54 C ATOM 1000 C LEU A 85 12.748 -4.219 1.761 1.00 0.54 C ATOM 1001 O LEU A 85 12.083 -3.839 0.821 1.00 0.47 O ATOM 1002 CB LEU A 85 14.684 -2.842 2.531 1.00 0.64 C ATOM 1003 CG LEU A 85 14.735 -2.008 1.251 1.00 0.79 C ATOM 1004 CD1 LEU A 85 14.045 -0.664 1.488 1.00 0.76 C ATOM 1005 CD2 LEU A 85 16.194 -1.769 0.857 1.00 0.89 C ATOM 0 H LEU A 85 14.047 -3.918 4.677 1.00 0.56 H new ATOM 0 HA LEU A 85 12.607 -2.349 2.816 1.00 0.54 H new ATOM 0 HB2 LEU A 85 15.094 -2.272 3.365 1.00 0.64 H new ATOM 0 HB3 LEU A 85 15.301 -3.734 2.421 1.00 0.64 H new ATOM 0 HG LEU A 85 14.224 -2.542 0.450 1.00 0.79 H new ATOM 0 HD11 LEU A 85 14.082 -0.070 0.575 1.00 0.76 H new ATOM 0 HD12 LEU A 85 13.006 -0.833 1.769 1.00 0.76 H new ATOM 0 HD13 LEU A 85 14.555 -0.129 2.289 1.00 0.76 H new ATOM 0 HD21 LEU A 85 16.232 -1.174 -0.056 1.00 0.89 H new ATOM 0 HD22 LEU A 85 16.705 -1.236 1.659 1.00 0.89 H new ATOM 0 HD23 LEU A 85 16.686 -2.726 0.687 1.00 0.89 H new ATOM 1017 N VAL A 86 13.072 -5.477 1.896 1.00 0.64 N ATOM 1018 CA VAL A 86 12.613 -6.470 0.881 1.00 0.64 C ATOM 1019 C VAL A 86 11.083 -6.453 0.824 1.00 0.52 C ATOM 1020 O VAL A 86 10.492 -6.402 -0.238 1.00 0.47 O ATOM 1021 CB VAL A 86 13.109 -7.865 1.275 1.00 0.83 C ATOM 1022 CG1 VAL A 86 12.547 -8.909 0.307 1.00 0.72 C ATOM 1023 CG2 VAL A 86 14.637 -7.895 1.216 1.00 1.00 C ATOM 0 H VAL A 86 13.631 -5.859 2.659 1.00 0.64 H new ATOM 0 HA VAL A 86 13.014 -6.215 -0.100 1.00 0.64 H new ATOM 0 HB VAL A 86 12.773 -8.093 2.287 1.00 0.83 H new ATOM 0 HG11 VAL A 86 12.903 -9.899 0.592 1.00 0.72 H new ATOM 0 HG12 VAL A 86 11.458 -8.891 0.344 1.00 0.72 H new ATOM 0 HG13 VAL A 86 12.879 -8.682 -0.706 1.00 0.72 H new ATOM 0 HG21 VAL A 86 14.993 -8.887 1.496 1.00 1.00 H new ATOM 0 HG22 VAL A 86 14.967 -7.664 0.203 1.00 1.00 H new ATOM 0 HG23 VAL A 86 15.042 -7.156 1.907 1.00 1.00 H new ATOM 1033 N LYS A 87 10.436 -6.489 1.959 1.00 0.53 N ATOM 1034 CA LYS A 87 8.945 -6.466 1.963 1.00 0.55 C ATOM 1035 C LYS A 87 8.461 -5.146 1.362 1.00 0.43 C ATOM 1036 O LYS A 87 7.348 -5.039 0.892 1.00 0.49 O ATOM 1037 CB LYS A 87 8.431 -6.594 3.400 1.00 0.69 C ATOM 1038 CG LYS A 87 6.964 -7.025 3.379 1.00 1.98 C ATOM 1039 CD LYS A 87 6.852 -8.430 2.781 1.00 1.83 C ATOM 1040 CE LYS A 87 6.328 -9.402 3.841 1.00 2.04 C ATOM 1041 NZ LYS A 87 5.024 -9.968 3.393 1.00 3.30 N ATOM 0 H LYS A 87 10.874 -6.533 2.879 1.00 0.53 H new ATOM 0 HA LYS A 87 8.566 -7.299 1.371 1.00 0.55 H new ATOM 0 HB2 LYS A 87 9.028 -7.323 3.948 1.00 0.69 H new ATOM 0 HB3 LYS A 87 8.534 -5.642 3.921 1.00 0.69 H new ATOM 0 HG2 LYS A 87 6.557 -7.015 4.390 1.00 1.98 H new ATOM 0 HG3 LYS A 87 6.375 -6.320 2.791 1.00 1.98 H new ATOM 0 HD2 LYS A 87 6.181 -8.418 1.922 1.00 1.83 H new ATOM 0 HD3 LYS A 87 7.826 -8.761 2.420 1.00 1.83 H new ATOM 0 HE2 LYS A 87 7.048 -10.204 4.003 1.00 2.04 H new ATOM 0 HE3 LYS A 87 6.205 -8.887 4.794 1.00 2.04 H new ATOM 0 HZ1 LYS A 87 4.741 -10.737 4.033 1.00 3.30 H new ATOM 0 HZ2 LYS A 87 4.299 -9.222 3.406 1.00 3.30 H new ATOM 0 HZ3 LYS A 87 5.121 -10.340 2.426 1.00 3.30 H new ATOM 1055 N ILE A 88 9.291 -4.137 1.371 1.00 0.37 N ATOM 1056 CA ILE A 88 8.880 -2.829 0.786 1.00 0.46 C ATOM 1057 C ILE A 88 8.915 -2.939 -0.743 1.00 0.48 C ATOM 1058 O ILE A 88 8.129 -2.327 -1.438 1.00 0.59 O ATOM 1059 CB ILE A 88 9.848 -1.734 1.248 1.00 0.59 C ATOM 1060 CG1 ILE A 88 9.732 -1.558 2.766 1.00 0.53 C ATOM 1061 CG2 ILE A 88 9.507 -0.411 0.554 1.00 0.68 C ATOM 1062 CD1 ILE A 88 8.316 -1.101 3.131 1.00 0.64 C ATOM 0 H ILE A 88 10.234 -4.163 1.758 1.00 0.37 H new ATOM 0 HA ILE A 88 7.872 -2.575 1.115 1.00 0.46 H new ATOM 0 HB ILE A 88 10.867 -2.023 0.989 1.00 0.59 H new ATOM 0 HG12 ILE A 88 9.961 -2.498 3.268 1.00 0.53 H new ATOM 0 HG13 ILE A 88 10.461 -0.825 3.113 1.00 0.53 H new ATOM 0 HG21 ILE A 88 10.199 0.363 0.887 1.00 0.68 H new ATOM 0 HG22 ILE A 88 9.592 -0.534 -0.526 1.00 0.68 H new ATOM 0 HG23 ILE A 88 8.488 -0.120 0.807 1.00 0.68 H new ATOM 0 HD11 ILE A 88 8.241 -0.978 4.211 1.00 0.64 H new ATOM 0 HD12 ILE A 88 8.103 -0.151 2.642 1.00 0.64 H new ATOM 0 HD13 ILE A 88 7.596 -1.849 2.800 1.00 0.64 H new ATOM 1074 N ILE A 89 9.818 -3.723 -1.270 1.00 0.47 N ATOM 1075 CA ILE A 89 9.900 -3.883 -2.750 1.00 0.55 C ATOM 1076 C ILE A 89 8.694 -4.707 -3.224 1.00 0.46 C ATOM 1077 O ILE A 89 7.827 -4.209 -3.918 1.00 0.38 O ATOM 1078 CB ILE A 89 11.217 -4.594 -3.106 1.00 0.65 C ATOM 1079 CG1 ILE A 89 12.381 -3.894 -2.394 1.00 0.82 C ATOM 1080 CG2 ILE A 89 11.466 -4.547 -4.622 1.00 0.58 C ATOM 1081 CD1 ILE A 89 12.398 -2.410 -2.770 1.00 0.94 C ATOM 0 H ILE A 89 10.503 -4.260 -0.738 1.00 0.47 H new ATOM 0 HA ILE A 89 9.883 -2.911 -3.243 1.00 0.55 H new ATOM 0 HB ILE A 89 11.146 -5.634 -2.788 1.00 0.65 H new ATOM 0 HG12 ILE A 89 12.279 -4.004 -1.314 1.00 0.82 H new ATOM 0 HG13 ILE A 89 13.325 -4.361 -2.674 1.00 0.82 H new ATOM 0 HG21 ILE A 89 12.402 -5.055 -4.853 1.00 0.58 H new ATOM 0 HG22 ILE A 89 10.646 -5.043 -5.141 1.00 0.58 H new ATOM 0 HG23 ILE A 89 11.527 -3.509 -4.949 1.00 0.58 H new ATOM 0 HD11 ILE A 89 13.226 -1.916 -2.262 1.00 0.94 H new ATOM 0 HD12 ILE A 89 12.521 -2.309 -3.848 1.00 0.94 H new ATOM 0 HD13 ILE A 89 11.459 -1.947 -2.467 1.00 0.94 H new ATOM 1093 N THR A 90 8.609 -5.955 -2.836 1.00 0.54 N ATOM 1094 CA THR A 90 7.435 -6.779 -3.259 1.00 0.57 C ATOM 1095 C THR A 90 6.166 -6.227 -2.605 1.00 0.42 C ATOM 1096 O THR A 90 5.064 -6.501 -3.039 1.00 0.44 O ATOM 1097 CB THR A 90 7.627 -8.238 -2.831 1.00 0.82 C ATOM 1098 OG1 THR A 90 6.383 -8.918 -2.919 1.00 2.00 O ATOM 1099 CG2 THR A 90 8.138 -8.295 -1.392 1.00 0.57 C ATOM 0 H THR A 90 9.293 -6.435 -2.251 1.00 0.54 H new ATOM 0 HA THR A 90 7.346 -6.735 -4.344 1.00 0.57 H new ATOM 0 HB THR A 90 8.355 -8.714 -3.487 1.00 0.82 H new ATOM 0 HG1 THR A 90 6.501 -9.852 -2.648 1.00 2.00 H new ATOM 0 HG21 THR A 90 8.272 -9.335 -1.094 1.00 0.57 H new ATOM 0 HG22 THR A 90 9.092 -7.772 -1.324 1.00 0.57 H new ATOM 0 HG23 THR A 90 7.415 -7.819 -0.730 1.00 0.57 H new ATOM 1107 N GLY A 91 6.310 -5.448 -1.569 1.00 0.33 N ATOM 1108 CA GLY A 91 5.112 -4.879 -0.892 1.00 0.25 C ATOM 1109 C GLY A 91 4.508 -3.792 -1.777 1.00 0.28 C ATOM 1110 O GLY A 91 3.305 -3.635 -1.854 1.00 0.28 O ATOM 0 H GLY A 91 7.206 -5.181 -1.162 1.00 0.33 H new ATOM 0 HA2 GLY A 91 4.378 -5.663 -0.705 1.00 0.25 H new ATOM 0 HA3 GLY A 91 5.389 -4.464 0.077 1.00 0.25 H new ATOM 1114 N LEU A 92 5.332 -3.038 -2.451 1.00 0.32 N ATOM 1115 CA LEU A 92 4.803 -1.965 -3.333 1.00 0.36 C ATOM 1116 C LEU A 92 4.342 -2.580 -4.657 1.00 0.34 C ATOM 1117 O LEU A 92 3.530 -2.014 -5.358 1.00 0.42 O ATOM 1118 CB LEU A 92 5.896 -0.929 -3.596 1.00 0.41 C ATOM 1119 CG LEU A 92 6.115 -0.093 -2.335 1.00 0.35 C ATOM 1120 CD1 LEU A 92 7.316 0.832 -2.533 1.00 0.55 C ATOM 1121 CD2 LEU A 92 4.865 0.746 -2.063 1.00 0.20 C ATOM 0 H LEU A 92 6.348 -3.120 -2.428 1.00 0.32 H new ATOM 0 HA LEU A 92 3.959 -1.476 -2.847 1.00 0.36 H new ATOM 0 HB2 LEU A 92 6.823 -1.426 -3.882 1.00 0.41 H new ATOM 0 HB3 LEU A 92 5.610 -0.285 -4.428 1.00 0.41 H new ATOM 0 HG LEU A 92 6.305 -0.754 -1.489 1.00 0.35 H new ATOM 0 HD11 LEU A 92 7.470 1.427 -1.633 1.00 0.55 H new ATOM 0 HD12 LEU A 92 8.206 0.235 -2.730 1.00 0.55 H new ATOM 0 HD13 LEU A 92 7.129 1.495 -3.378 1.00 0.55 H new ATOM 0 HD21 LEU A 92 5.017 1.344 -1.164 1.00 0.20 H new ATOM 0 HD22 LEU A 92 4.678 1.405 -2.910 1.00 0.20 H new ATOM 0 HD23 LEU A 92 4.009 0.087 -1.920 1.00 0.20 H new ATOM 1133 N LEU A 93 4.846 -3.738 -5.002 1.00 0.27 N ATOM 1134 CA LEU A 93 4.413 -4.388 -6.276 1.00 0.30 C ATOM 1135 C LEU A 93 2.953 -4.837 -6.118 1.00 0.25 C ATOM 1136 O LEU A 93 2.057 -4.394 -6.827 1.00 0.17 O ATOM 1137 CB LEU A 93 5.296 -5.612 -6.554 1.00 0.32 C ATOM 1138 CG LEU A 93 6.752 -5.171 -6.734 1.00 0.39 C ATOM 1139 CD1 LEU A 93 7.664 -6.400 -6.773 1.00 0.71 C ATOM 1140 CD2 LEU A 93 6.889 -4.398 -8.048 1.00 0.10 C ATOM 0 H LEU A 93 5.535 -4.259 -4.460 1.00 0.27 H new ATOM 0 HA LEU A 93 4.505 -3.687 -7.105 1.00 0.30 H new ATOM 0 HB2 LEU A 93 5.220 -6.321 -5.730 1.00 0.32 H new ATOM 0 HB3 LEU A 93 4.949 -6.126 -7.450 1.00 0.32 H new ATOM 0 HG LEU A 93 7.041 -4.533 -5.899 1.00 0.39 H new ATOM 0 HD11 LEU A 93 8.699 -6.081 -6.901 1.00 0.71 H new ATOM 0 HD12 LEU A 93 7.568 -6.954 -5.839 1.00 0.71 H new ATOM 0 HD13 LEU A 93 7.376 -7.041 -7.606 1.00 0.71 H new ATOM 0 HD21 LEU A 93 7.924 -4.083 -8.179 1.00 0.10 H new ATOM 0 HD22 LEU A 93 6.597 -5.039 -8.880 1.00 0.10 H new ATOM 0 HD23 LEU A 93 6.243 -3.520 -8.023 1.00 0.10 H new ATOM 1152 N GLU A 94 2.700 -5.699 -5.168 1.00 0.31 N ATOM 1153 CA GLU A 94 1.305 -6.157 -4.933 1.00 0.28 C ATOM 1154 C GLU A 94 0.446 -4.924 -4.669 1.00 0.28 C ATOM 1155 O GLU A 94 -0.608 -4.744 -5.245 1.00 0.36 O ATOM 1156 CB GLU A 94 1.268 -7.082 -3.714 1.00 0.26 C ATOM 1157 CG GLU A 94 1.172 -8.535 -4.177 1.00 0.67 C ATOM 1158 CD GLU A 94 -0.154 -9.136 -3.709 1.00 1.16 C ATOM 1159 OE1 GLU A 94 -1.174 -8.789 -4.282 1.00 2.14 O ATOM 1160 OE2 GLU A 94 -0.128 -9.932 -2.785 1.00 1.07 O ATOM 0 H GLU A 94 3.401 -6.104 -4.547 1.00 0.31 H new ATOM 0 HA GLU A 94 0.930 -6.703 -5.799 1.00 0.28 H new ATOM 0 HB2 GLU A 94 2.164 -6.941 -3.110 1.00 0.26 H new ATOM 0 HB3 GLU A 94 0.415 -6.834 -3.082 1.00 0.26 H new ATOM 0 HG2 GLU A 94 1.243 -8.586 -5.263 1.00 0.67 H new ATOM 0 HG3 GLU A 94 2.006 -9.111 -3.776 1.00 0.67 H new ATOM 1167 N PHE A 95 0.917 -4.050 -3.819 1.00 0.25 N ATOM 1168 CA PHE A 95 0.162 -2.800 -3.527 1.00 0.23 C ATOM 1169 C PHE A 95 -0.204 -2.129 -4.849 1.00 0.25 C ATOM 1170 O PHE A 95 -1.261 -1.563 -5.001 1.00 0.34 O ATOM 1171 CB PHE A 95 1.058 -1.852 -2.729 1.00 0.25 C ATOM 1172 CG PHE A 95 0.936 -2.142 -1.255 1.00 0.27 C ATOM 1173 CD1 PHE A 95 0.838 -3.464 -0.801 1.00 0.93 C ATOM 1174 CD2 PHE A 95 0.928 -1.086 -0.340 1.00 0.53 C ATOM 1175 CE1 PHE A 95 0.730 -3.726 0.566 1.00 1.03 C ATOM 1176 CE2 PHE A 95 0.819 -1.347 1.028 1.00 0.42 C ATOM 1177 CZ PHE A 95 0.720 -2.668 1.484 1.00 0.42 C ATOM 0 H PHE A 95 1.797 -4.150 -3.313 1.00 0.25 H new ATOM 0 HA PHE A 95 -0.738 -3.032 -2.957 1.00 0.23 H new ATOM 0 HB2 PHE A 95 2.095 -1.966 -3.045 1.00 0.25 H new ATOM 0 HB3 PHE A 95 0.776 -0.818 -2.929 1.00 0.25 H new ATOM 0 HD1 PHE A 95 0.846 -4.280 -1.508 1.00 0.93 H new ATOM 0 HD2 PHE A 95 1.006 -0.067 -0.691 1.00 0.53 H new ATOM 0 HE1 PHE A 95 0.654 -4.745 0.916 1.00 1.03 H new ATOM 0 HE2 PHE A 95 0.811 -0.530 1.734 1.00 0.42 H new ATOM 0 HZ PHE A 95 0.636 -2.870 2.542 1.00 0.42 H new ATOM 1187 N GLU A 96 0.686 -2.201 -5.801 1.00 0.19 N ATOM 1188 CA GLU A 96 0.440 -1.581 -7.132 1.00 0.21 C ATOM 1189 C GLU A 96 -0.852 -2.131 -7.725 1.00 0.19 C ATOM 1190 O GLU A 96 -1.672 -1.390 -8.225 1.00 0.18 O ATOM 1191 CB GLU A 96 1.604 -1.908 -8.059 1.00 0.24 C ATOM 1192 CG GLU A 96 1.941 -0.688 -8.915 1.00 0.42 C ATOM 1193 CD GLU A 96 0.909 -0.546 -10.035 1.00 0.93 C ATOM 1194 OE1 GLU A 96 -0.144 0.013 -9.778 1.00 1.85 O ATOM 1195 OE2 GLU A 96 1.191 -0.997 -11.133 1.00 1.71 O ATOM 0 H GLU A 96 1.587 -2.671 -5.710 1.00 0.19 H new ATOM 0 HA GLU A 96 0.351 -0.500 -7.019 1.00 0.21 H new ATOM 0 HB2 GLU A 96 2.474 -2.205 -7.474 1.00 0.24 H new ATOM 0 HB3 GLU A 96 1.346 -2.752 -8.698 1.00 0.24 H new ATOM 0 HG2 GLU A 96 1.949 0.211 -8.298 1.00 0.42 H new ATOM 0 HG3 GLU A 96 2.940 -0.793 -9.338 1.00 0.42 H new ATOM 1202 N VAL A 97 -1.048 -3.422 -7.684 1.00 0.20 N ATOM 1203 CA VAL A 97 -2.315 -3.979 -8.255 1.00 0.20 C ATOM 1204 C VAL A 97 -3.504 -3.416 -7.455 1.00 0.20 C ATOM 1205 O VAL A 97 -4.574 -3.178 -7.991 1.00 0.21 O ATOM 1206 CB VAL A 97 -2.298 -5.520 -8.205 1.00 0.21 C ATOM 1207 CG1 VAL A 97 -2.386 -6.026 -6.761 1.00 0.14 C ATOM 1208 CG2 VAL A 97 -3.486 -6.068 -9.002 1.00 0.25 C ATOM 0 H VAL A 97 -0.402 -4.105 -7.289 1.00 0.20 H new ATOM 0 HA VAL A 97 -2.410 -3.686 -9.301 1.00 0.20 H new ATOM 0 HB VAL A 97 -1.360 -5.866 -8.638 1.00 0.21 H new ATOM 0 HG11 VAL A 97 -2.372 -7.116 -6.756 1.00 0.14 H new ATOM 0 HG12 VAL A 97 -1.537 -5.650 -6.191 1.00 0.14 H new ATOM 0 HG13 VAL A 97 -3.312 -5.673 -6.308 1.00 0.14 H new ATOM 0 HG21 VAL A 97 -3.476 -7.157 -8.968 1.00 0.25 H new ATOM 0 HG22 VAL A 97 -4.416 -5.700 -8.568 1.00 0.25 H new ATOM 0 HG23 VAL A 97 -3.413 -5.737 -10.038 1.00 0.25 H new ATOM 1218 N TYR A 98 -3.320 -3.166 -6.182 1.00 0.22 N ATOM 1219 CA TYR A 98 -4.431 -2.592 -5.371 1.00 0.24 C ATOM 1220 C TYR A 98 -4.600 -1.123 -5.752 1.00 0.26 C ATOM 1221 O TYR A 98 -5.661 -0.549 -5.616 1.00 0.27 O ATOM 1222 CB TYR A 98 -4.105 -2.722 -3.884 1.00 0.25 C ATOM 1223 CG TYR A 98 -4.173 -4.177 -3.500 1.00 0.26 C ATOM 1224 CD1 TYR A 98 -5.407 -4.771 -3.212 1.00 0.34 C ATOM 1225 CD2 TYR A 98 -3.002 -4.939 -3.450 1.00 0.41 C ATOM 1226 CE1 TYR A 98 -5.468 -6.128 -2.870 1.00 0.39 C ATOM 1227 CE2 TYR A 98 -3.062 -6.293 -3.115 1.00 0.44 C ATOM 1228 CZ TYR A 98 -4.293 -6.890 -2.823 1.00 0.35 C ATOM 1229 OH TYR A 98 -4.349 -8.229 -2.493 1.00 0.42 O ATOM 0 H TYR A 98 -2.452 -3.335 -5.674 1.00 0.22 H new ATOM 0 HA TYR A 98 -5.358 -3.130 -5.567 1.00 0.24 H new ATOM 0 HB2 TYR A 98 -3.112 -2.323 -3.679 1.00 0.25 H new ATOM 0 HB3 TYR A 98 -4.811 -2.141 -3.290 1.00 0.25 H new ATOM 0 HD1 TYR A 98 -6.312 -4.183 -3.253 1.00 0.34 H new ATOM 0 HD2 TYR A 98 -2.050 -4.480 -3.671 1.00 0.41 H new ATOM 0 HE1 TYR A 98 -6.419 -6.586 -2.643 1.00 0.39 H new ATOM 0 HE2 TYR A 98 -2.156 -6.881 -3.081 1.00 0.44 H new ATOM 0 HH TYR A 98 -3.442 -8.600 -2.477 1.00 0.42 H new ATOM 1239 N LEU A 99 -3.564 -0.528 -6.277 1.00 0.27 N ATOM 1240 CA LEU A 99 -3.658 0.881 -6.727 1.00 0.31 C ATOM 1241 C LEU A 99 -4.455 0.867 -8.018 1.00 0.30 C ATOM 1242 O LEU A 99 -5.214 1.768 -8.313 1.00 0.33 O ATOM 1243 CB LEU A 99 -2.259 1.436 -6.970 1.00 0.31 C ATOM 1244 CG LEU A 99 -1.523 1.492 -5.636 1.00 0.32 C ATOM 1245 CD1 LEU A 99 -0.047 1.795 -5.867 1.00 0.33 C ATOM 1246 CD2 LEU A 99 -2.137 2.587 -4.770 1.00 0.23 C ATOM 0 H LEU A 99 -2.652 -0.964 -6.413 1.00 0.27 H new ATOM 0 HA LEU A 99 -4.140 1.511 -5.980 1.00 0.31 H new ATOM 0 HB2 LEU A 99 -1.718 0.805 -7.675 1.00 0.31 H new ATOM 0 HB3 LEU A 99 -2.317 2.430 -7.413 1.00 0.31 H new ATOM 0 HG LEU A 99 -1.614 0.529 -5.134 1.00 0.32 H new ATOM 0 HD11 LEU A 99 0.471 1.833 -4.909 1.00 0.33 H new ATOM 0 HD12 LEU A 99 0.392 1.013 -6.486 1.00 0.33 H new ATOM 0 HD13 LEU A 99 0.053 2.756 -6.372 1.00 0.33 H new ATOM 0 HD21 LEU A 99 -1.614 2.631 -3.815 1.00 0.23 H new ATOM 0 HD22 LEU A 99 -2.046 3.547 -5.278 1.00 0.23 H new ATOM 0 HD23 LEU A 99 -3.190 2.366 -4.597 1.00 0.23 H new ATOM 1258 N GLU A 100 -4.339 -0.209 -8.753 1.00 0.26 N ATOM 1259 CA GLU A 100 -5.134 -0.370 -9.984 1.00 0.26 C ATOM 1260 C GLU A 100 -6.589 -0.308 -9.539 1.00 0.25 C ATOM 1261 O GLU A 100 -7.451 0.236 -10.197 1.00 0.27 O ATOM 1262 CB GLU A 100 -4.823 -1.749 -10.571 1.00 0.18 C ATOM 1263 CG GLU A 100 -4.559 -1.646 -12.073 1.00 0.37 C ATOM 1264 CD GLU A 100 -3.423 -0.653 -12.333 1.00 2.22 C ATOM 1265 OE1 GLU A 100 -2.720 -0.325 -11.391 1.00 3.47 O ATOM 1266 OE2 GLU A 100 -3.275 -0.238 -13.471 1.00 2.61 O ATOM 0 H GLU A 100 -3.716 -0.988 -8.541 1.00 0.26 H new ATOM 0 HA GLU A 100 -4.919 0.389 -10.736 1.00 0.26 H new ATOM 0 HB2 GLU A 100 -3.953 -2.175 -10.072 1.00 0.18 H new ATOM 0 HB3 GLU A 100 -5.658 -2.425 -10.388 1.00 0.18 H new ATOM 0 HG2 GLU A 100 -4.297 -2.625 -12.473 1.00 0.37 H new ATOM 0 HG3 GLU A 100 -5.463 -1.322 -12.589 1.00 0.37 H new ATOM 1273 N TYR A 101 -6.835 -0.853 -8.375 1.00 0.24 N ATOM 1274 CA TYR A 101 -8.194 -0.835 -7.794 1.00 0.24 C ATOM 1275 C TYR A 101 -8.636 0.607 -7.570 1.00 0.22 C ATOM 1276 O TYR A 101 -9.707 1.012 -7.972 1.00 0.23 O ATOM 1277 CB TYR A 101 -8.160 -1.560 -6.447 1.00 0.24 C ATOM 1278 CG TYR A 101 -9.293 -2.544 -6.375 1.00 0.26 C ATOM 1279 CD1 TYR A 101 -9.508 -3.436 -7.431 1.00 0.34 C ATOM 1280 CD2 TYR A 101 -10.130 -2.566 -5.255 1.00 0.22 C ATOM 1281 CE1 TYR A 101 -10.563 -4.350 -7.370 1.00 0.36 C ATOM 1282 CE2 TYR A 101 -11.185 -3.481 -5.195 1.00 0.26 C ATOM 1283 CZ TYR A 101 -11.403 -4.371 -6.250 1.00 0.32 C ATOM 1284 OH TYR A 101 -12.447 -5.269 -6.187 1.00 0.35 O ATOM 0 H TYR A 101 -6.132 -1.316 -7.799 1.00 0.24 H new ATOM 0 HA TYR A 101 -8.891 -1.327 -8.472 1.00 0.24 H new ATOM 0 HB2 TYR A 101 -7.208 -2.077 -6.325 1.00 0.24 H new ATOM 0 HB3 TYR A 101 -8.239 -0.840 -5.633 1.00 0.24 H new ATOM 0 HD1 TYR A 101 -8.858 -3.418 -8.294 1.00 0.34 H new ATOM 0 HD2 TYR A 101 -9.962 -1.878 -4.439 1.00 0.22 H new ATOM 0 HE1 TYR A 101 -10.730 -5.039 -8.185 1.00 0.36 H new ATOM 0 HE2 TYR A 101 -11.833 -3.500 -4.331 1.00 0.26 H new ATOM 0 HH TYR A 101 -13.286 -4.786 -6.034 1.00 0.35 H new ATOM 1294 N LEU A 102 -7.826 1.372 -6.903 1.00 0.19 N ATOM 1295 CA LEU A 102 -8.193 2.784 -6.610 1.00 0.17 C ATOM 1296 C LEU A 102 -7.675 3.713 -7.710 1.00 0.17 C ATOM 1297 O LEU A 102 -7.656 4.918 -7.551 1.00 0.17 O ATOM 1298 CB LEU A 102 -7.577 3.193 -5.269 1.00 0.15 C ATOM 1299 CG LEU A 102 -7.738 2.059 -4.248 1.00 0.16 C ATOM 1300 CD1 LEU A 102 -6.414 1.830 -3.522 1.00 0.18 C ATOM 1301 CD2 LEU A 102 -8.818 2.441 -3.243 1.00 0.13 C ATOM 0 H LEU A 102 -6.917 1.080 -6.544 1.00 0.19 H new ATOM 0 HA LEU A 102 -9.279 2.866 -6.566 1.00 0.17 H new ATOM 0 HB2 LEU A 102 -6.521 3.427 -5.401 1.00 0.15 H new ATOM 0 HB3 LEU A 102 -8.060 4.098 -4.899 1.00 0.15 H new ATOM 0 HG LEU A 102 -8.026 1.141 -4.761 1.00 0.16 H new ATOM 0 HD11 LEU A 102 -6.531 1.024 -2.797 1.00 0.18 H new ATOM 0 HD12 LEU A 102 -5.645 1.559 -4.245 1.00 0.18 H new ATOM 0 HD13 LEU A 102 -6.120 2.743 -3.005 1.00 0.18 H new ATOM 0 HD21 LEU A 102 -8.937 1.639 -2.515 1.00 0.13 H new ATOM 0 HD22 LEU A 102 -8.529 3.358 -2.729 1.00 0.13 H new ATOM 0 HD23 LEU A 102 -9.761 2.600 -3.765 1.00 0.13 H new ATOM 1313 N GLN A 103 -7.248 3.177 -8.820 1.00 0.20 N ATOM 1314 CA GLN A 103 -6.731 4.054 -9.903 1.00 0.20 C ATOM 1315 C GLN A 103 -7.898 4.534 -10.774 1.00 0.29 C ATOM 1316 O GLN A 103 -7.837 5.580 -11.389 1.00 0.52 O ATOM 1317 CB GLN A 103 -5.738 3.275 -10.771 1.00 0.27 C ATOM 1318 CG GLN A 103 -5.169 4.195 -11.854 1.00 0.37 C ATOM 1319 CD GLN A 103 -4.713 3.357 -13.051 1.00 0.38 C ATOM 1320 OE1 GLN A 103 -3.532 3.184 -13.271 1.00 0.96 O ATOM 1321 NE2 GLN A 103 -5.609 2.827 -13.838 1.00 1.45 N ATOM 0 H GLN A 103 -7.235 2.177 -9.022 1.00 0.20 H new ATOM 0 HA GLN A 103 -6.227 4.913 -9.459 1.00 0.20 H new ATOM 0 HB2 GLN A 103 -4.931 2.881 -10.153 1.00 0.27 H new ATOM 0 HB3 GLN A 103 -6.234 2.420 -11.230 1.00 0.27 H new ATOM 0 HG2 GLN A 103 -5.925 4.915 -12.168 1.00 0.37 H new ATOM 0 HG3 GLN A 103 -4.330 4.766 -11.456 1.00 0.37 H new ATOM 0 HE21 GLN A 103 -6.601 2.973 -13.652 1.00 1.45 H new ATOM 0 HE22 GLN A 103 -5.317 2.267 -14.639 1.00 1.45 H new ATOM 1330 N ASN A 104 -8.955 3.770 -10.843 1.00 0.23 N ATOM 1331 CA ASN A 104 -10.112 4.180 -11.694 1.00 0.30 C ATOM 1332 C ASN A 104 -11.416 4.179 -10.881 1.00 0.32 C ATOM 1333 O ASN A 104 -12.339 4.909 -11.182 1.00 0.37 O ATOM 1334 CB ASN A 104 -10.247 3.192 -12.855 1.00 0.41 C ATOM 1335 CG ASN A 104 -10.177 3.948 -14.183 1.00 0.68 C ATOM 1336 OD1 ASN A 104 -11.153 4.029 -14.901 1.00 0.96 O ATOM 1337 ND2 ASN A 104 -9.053 4.506 -14.543 1.00 1.92 N ATOM 0 H ASN A 104 -9.068 2.884 -10.350 1.00 0.23 H new ATOM 0 HA ASN A 104 -9.934 5.189 -12.067 1.00 0.30 H new ATOM 0 HB2 ASN A 104 -9.452 2.448 -12.806 1.00 0.41 H new ATOM 0 HB3 ASN A 104 -11.192 2.655 -12.780 1.00 0.41 H new ATOM 0 HD21 ASN A 104 -8.994 5.010 -15.428 1.00 1.92 H new ATOM 0 HD22 ASN A 104 -8.233 4.438 -13.940 1.00 1.92 H new ATOM 1344 N ARG A 105 -11.512 3.357 -9.870 1.00 0.29 N ATOM 1345 CA ARG A 105 -12.770 3.309 -9.067 1.00 0.31 C ATOM 1346 C ARG A 105 -13.030 4.661 -8.397 1.00 0.21 C ATOM 1347 O ARG A 105 -14.123 4.933 -7.939 1.00 0.29 O ATOM 1348 CB ARG A 105 -12.655 2.225 -7.996 1.00 0.35 C ATOM 1349 CG ARG A 105 -13.908 1.347 -8.025 1.00 0.70 C ATOM 1350 CD ARG A 105 -14.165 0.772 -6.631 1.00 0.56 C ATOM 1351 NE ARG A 105 -15.405 -0.056 -6.655 1.00 1.14 N ATOM 1352 CZ ARG A 105 -16.396 0.227 -5.854 1.00 1.55 C ATOM 1353 NH1 ARG A 105 -17.160 1.257 -6.099 1.00 1.57 N ATOM 1354 NH2 ARG A 105 -16.623 -0.520 -4.809 1.00 2.60 N ATOM 0 H ARG A 105 -10.777 2.719 -9.566 1.00 0.29 H new ATOM 0 HA ARG A 105 -13.601 3.080 -9.734 1.00 0.31 H new ATOM 0 HB2 ARG A 105 -11.767 1.617 -8.172 1.00 0.35 H new ATOM 0 HB3 ARG A 105 -12.539 2.681 -7.013 1.00 0.35 H new ATOM 0 HG2 ARG A 105 -14.767 1.933 -8.352 1.00 0.70 H new ATOM 0 HG3 ARG A 105 -13.781 0.539 -8.745 1.00 0.70 H new ATOM 0 HD2 ARG A 105 -13.316 0.166 -6.314 1.00 0.56 H new ATOM 0 HD3 ARG A 105 -14.268 1.580 -5.906 1.00 0.56 H new ATOM 0 HE ARG A 105 -15.479 -0.844 -7.298 1.00 1.14 H new ATOM 0 HH11 ARG A 105 -16.983 1.841 -6.916 1.00 1.57 H new ATOM 0 HH12 ARG A 105 -17.934 1.478 -5.473 1.00 1.57 H new ATOM 0 HH21 ARG A 105 -16.026 -1.325 -4.618 1.00 2.60 H new ATOM 0 HH22 ARG A 105 -17.397 -0.299 -4.183 1.00 2.60 H new ATOM 1368 N PHE A 106 -12.044 5.513 -8.331 1.00 0.24 N ATOM 1369 CA PHE A 106 -12.258 6.839 -7.685 1.00 0.22 C ATOM 1370 C PHE A 106 -12.671 7.863 -8.746 1.00 0.37 C ATOM 1371 O PHE A 106 -11.867 8.642 -9.215 1.00 0.54 O ATOM 1372 CB PHE A 106 -10.963 7.292 -7.008 1.00 0.19 C ATOM 1373 CG PHE A 106 -11.085 7.100 -5.514 1.00 0.17 C ATOM 1374 CD1 PHE A 106 -11.740 8.063 -4.736 1.00 0.91 C ATOM 1375 CD2 PHE A 106 -10.543 5.960 -4.906 1.00 0.63 C ATOM 1376 CE1 PHE A 106 -11.853 7.886 -3.353 1.00 0.96 C ATOM 1377 CE2 PHE A 106 -10.657 5.784 -3.522 1.00 0.58 C ATOM 1378 CZ PHE A 106 -11.311 6.747 -2.744 1.00 0.25 C ATOM 0 H PHE A 106 -11.105 5.350 -8.694 1.00 0.24 H new ATOM 0 HA PHE A 106 -13.046 6.757 -6.937 1.00 0.22 H new ATOM 0 HB2 PHE A 106 -10.119 6.719 -7.392 1.00 0.19 H new ATOM 0 HB3 PHE A 106 -10.767 8.340 -7.237 1.00 0.19 H new ATOM 0 HD1 PHE A 106 -12.158 8.942 -5.204 1.00 0.91 H new ATOM 0 HD2 PHE A 106 -10.037 5.217 -5.505 1.00 0.63 H new ATOM 0 HE1 PHE A 106 -12.359 8.629 -2.754 1.00 0.96 H new ATOM 0 HE2 PHE A 106 -10.240 4.905 -3.054 1.00 0.58 H new ATOM 0 HZ PHE A 106 -11.397 6.612 -1.676 1.00 0.25 H new ATOM 1388 N GLU A 107 -13.922 7.869 -9.126 1.00 0.35 N ATOM 1389 CA GLU A 107 -14.383 8.846 -10.156 1.00 0.51 C ATOM 1390 C GLU A 107 -14.771 10.171 -9.484 1.00 0.56 C ATOM 1391 O GLU A 107 -14.985 11.168 -10.144 1.00 0.69 O ATOM 1392 CB GLU A 107 -15.594 8.272 -10.900 1.00 0.52 C ATOM 1393 CG GLU A 107 -16.768 8.104 -9.930 1.00 0.84 C ATOM 1394 CD GLU A 107 -17.932 8.988 -10.382 1.00 1.79 C ATOM 1395 OE1 GLU A 107 -17.940 10.153 -10.024 1.00 3.48 O ATOM 1396 OE2 GLU A 107 -18.796 8.483 -11.080 1.00 1.08 O ATOM 0 H GLU A 107 -14.642 7.241 -8.769 1.00 0.35 H new ATOM 0 HA GLU A 107 -13.574 9.029 -10.864 1.00 0.51 H new ATOM 0 HB2 GLU A 107 -15.878 8.935 -11.717 1.00 0.52 H new ATOM 0 HB3 GLU A 107 -15.337 7.310 -11.344 1.00 0.52 H new ATOM 0 HG2 GLU A 107 -17.081 7.060 -9.898 1.00 0.84 H new ATOM 0 HG3 GLU A 107 -16.461 8.376 -8.920 1.00 0.84 H new ATOM 1403 N SER A 108 -14.856 10.194 -8.180 1.00 0.53 N ATOM 1404 CA SER A 108 -15.219 11.458 -7.478 1.00 0.64 C ATOM 1405 C SER A 108 -13.935 12.214 -7.149 1.00 0.60 C ATOM 1406 O SER A 108 -13.867 13.424 -7.230 1.00 0.80 O ATOM 1407 CB SER A 108 -15.970 11.133 -6.186 1.00 0.73 C ATOM 1408 OG SER A 108 -16.448 9.796 -6.245 1.00 1.44 O ATOM 0 H SER A 108 -14.690 9.392 -7.572 1.00 0.53 H new ATOM 0 HA SER A 108 -15.860 12.068 -8.114 1.00 0.64 H new ATOM 0 HB2 SER A 108 -15.311 11.258 -5.327 1.00 0.73 H new ATOM 0 HB3 SER A 108 -16.803 11.824 -6.052 1.00 0.73 H new ATOM 0 HG SER A 108 -16.928 9.584 -5.418 1.00 1.44 H new ATOM 1414 N SER A 109 -12.913 11.493 -6.788 1.00 0.45 N ATOM 1415 CA SER A 109 -11.611 12.130 -6.459 1.00 0.45 C ATOM 1416 C SER A 109 -10.517 11.409 -7.244 1.00 0.44 C ATOM 1417 O SER A 109 -9.440 11.157 -6.743 1.00 0.49 O ATOM 1418 CB SER A 109 -11.344 11.990 -4.962 1.00 0.55 C ATOM 1419 OG SER A 109 -10.095 12.591 -4.648 1.00 0.82 O ATOM 0 H SER A 109 -12.925 10.476 -6.706 1.00 0.45 H new ATOM 0 HA SER A 109 -11.627 13.188 -6.720 1.00 0.45 H new ATOM 0 HB2 SER A 109 -12.143 12.466 -4.393 1.00 0.55 H new ATOM 0 HB3 SER A 109 -11.335 10.937 -4.680 1.00 0.55 H new ATOM 0 HG SER A 109 -9.468 12.446 -5.387 1.00 0.82 H new ATOM 1425 N GLU A 110 -10.801 11.057 -8.471 1.00 0.39 N ATOM 1426 CA GLU A 110 -9.804 10.331 -9.302 1.00 0.40 C ATOM 1427 C GLU A 110 -8.433 11.010 -9.215 1.00 0.38 C ATOM 1428 O GLU A 110 -7.409 10.358 -9.189 1.00 0.39 O ATOM 1429 CB GLU A 110 -10.274 10.324 -10.758 1.00 0.35 C ATOM 1430 CG GLU A 110 -9.446 9.314 -11.550 1.00 0.39 C ATOM 1431 CD GLU A 110 -10.272 8.781 -12.722 1.00 0.48 C ATOM 1432 OE1 GLU A 110 -11.424 8.444 -12.505 1.00 1.65 O ATOM 1433 OE2 GLU A 110 -9.737 8.716 -13.817 1.00 0.44 O ATOM 0 H GLU A 110 -11.690 11.245 -8.934 1.00 0.39 H new ATOM 0 HA GLU A 110 -9.713 9.310 -8.932 1.00 0.40 H new ATOM 0 HB2 GLU A 110 -11.332 10.065 -10.810 1.00 0.35 H new ATOM 0 HB3 GLU A 110 -10.168 11.318 -11.191 1.00 0.35 H new ATOM 0 HG2 GLU A 110 -8.535 9.785 -11.919 1.00 0.39 H new ATOM 0 HG3 GLU A 110 -9.141 8.492 -10.903 1.00 0.39 H new ATOM 1440 N GLU A 111 -8.406 12.314 -9.180 1.00 0.42 N ATOM 1441 CA GLU A 111 -7.101 13.031 -9.103 1.00 0.42 C ATOM 1442 C GLU A 111 -6.306 12.538 -7.891 1.00 0.39 C ATOM 1443 O GLU A 111 -5.134 12.230 -7.990 1.00 0.33 O ATOM 1444 CB GLU A 111 -7.354 14.534 -8.967 1.00 0.49 C ATOM 1445 CG GLU A 111 -6.952 15.238 -10.265 1.00 0.54 C ATOM 1446 CD GLU A 111 -6.287 16.576 -9.935 1.00 1.37 C ATOM 1447 OE1 GLU A 111 -6.506 17.070 -8.840 1.00 1.91 O ATOM 1448 OE2 GLU A 111 -5.570 17.085 -10.781 1.00 1.86 O ATOM 0 H GLU A 111 -9.231 12.914 -9.201 1.00 0.42 H new ATOM 0 HA GLU A 111 -6.530 12.835 -10.011 1.00 0.42 H new ATOM 0 HB2 GLU A 111 -8.406 14.719 -8.751 1.00 0.49 H new ATOM 0 HB3 GLU A 111 -6.782 14.936 -8.131 1.00 0.49 H new ATOM 0 HG2 GLU A 111 -6.267 14.610 -10.835 1.00 0.54 H new ATOM 0 HG3 GLU A 111 -7.830 15.401 -10.890 1.00 0.54 H new ATOM 1455 N GLN A 112 -6.930 12.465 -6.747 1.00 0.46 N ATOM 1456 CA GLN A 112 -6.204 11.997 -5.532 1.00 0.49 C ATOM 1457 C GLN A 112 -5.766 10.542 -5.724 1.00 0.40 C ATOM 1458 O GLN A 112 -4.656 10.170 -5.397 1.00 0.44 O ATOM 1459 CB GLN A 112 -7.129 12.099 -4.319 1.00 0.60 C ATOM 1460 CG GLN A 112 -7.429 13.572 -4.030 1.00 0.78 C ATOM 1461 CD GLN A 112 -6.390 14.125 -3.053 1.00 1.22 C ATOM 1462 OE1 GLN A 112 -5.806 13.387 -2.286 1.00 1.75 O ATOM 1463 NE2 GLN A 112 -6.134 15.405 -3.050 1.00 1.45 N ATOM 0 H GLN A 112 -7.910 12.709 -6.601 1.00 0.46 H new ATOM 0 HA GLN A 112 -5.323 12.619 -5.371 1.00 0.49 H new ATOM 0 HB2 GLN A 112 -8.056 11.558 -4.509 1.00 0.60 H new ATOM 0 HB3 GLN A 112 -6.661 11.635 -3.451 1.00 0.60 H new ATOM 0 HG2 GLN A 112 -7.413 14.145 -4.957 1.00 0.78 H new ATOM 0 HG3 GLN A 112 -8.429 13.674 -3.609 1.00 0.78 H new ATOM 0 HE21 GLN A 112 -6.625 16.025 -3.695 1.00 1.45 H new ATOM 0 HE22 GLN A 112 -5.443 15.785 -2.403 1.00 1.45 H new ATOM 1472 N ALA A 113 -6.627 9.716 -6.251 1.00 0.33 N ATOM 1473 CA ALA A 113 -6.259 8.287 -6.465 1.00 0.24 C ATOM 1474 C ALA A 113 -4.998 8.214 -7.333 1.00 0.21 C ATOM 1475 O ALA A 113 -4.195 7.309 -7.208 1.00 0.16 O ATOM 1476 CB ALA A 113 -7.407 7.571 -7.180 1.00 0.23 C ATOM 0 H ALA A 113 -7.571 9.969 -6.543 1.00 0.33 H new ATOM 0 HA ALA A 113 -6.071 7.809 -5.504 1.00 0.24 H new ATOM 0 HB1 ALA A 113 -7.142 6.526 -7.338 1.00 0.23 H new ATOM 0 HB2 ALA A 113 -8.308 7.628 -6.569 1.00 0.23 H new ATOM 0 HB3 ALA A 113 -7.590 8.048 -8.143 1.00 0.23 H new ATOM 1482 N ARG A 114 -4.820 9.161 -8.214 1.00 0.35 N ATOM 1483 CA ARG A 114 -3.619 9.153 -9.096 1.00 0.33 C ATOM 1484 C ARG A 114 -2.423 9.735 -8.341 1.00 0.33 C ATOM 1485 O ARG A 114 -1.286 9.419 -8.625 1.00 0.31 O ATOM 1486 CB ARG A 114 -3.897 10.006 -10.337 1.00 0.33 C ATOM 1487 CG ARG A 114 -3.579 9.200 -11.597 1.00 0.17 C ATOM 1488 CD ARG A 114 -4.051 9.975 -12.829 1.00 0.28 C ATOM 1489 NE ARG A 114 -4.079 9.068 -14.010 1.00 0.82 N ATOM 1490 CZ ARG A 114 -5.011 9.202 -14.914 1.00 1.50 C ATOM 1491 NH1 ARG A 114 -5.270 10.379 -15.414 1.00 1.33 N ATOM 1492 NH2 ARG A 114 -5.684 8.160 -15.316 1.00 2.71 N ATOM 0 H ARG A 114 -5.458 9.943 -8.361 1.00 0.35 H new ATOM 0 HA ARG A 114 -3.396 8.129 -9.395 1.00 0.33 H new ATOM 0 HB2 ARG A 114 -4.941 10.320 -10.348 1.00 0.33 H new ATOM 0 HB3 ARG A 114 -3.292 10.912 -10.311 1.00 0.33 H new ATOM 0 HG2 ARG A 114 -2.507 9.012 -11.661 1.00 0.17 H new ATOM 0 HG3 ARG A 114 -4.071 8.228 -11.554 1.00 0.17 H new ATOM 0 HD2 ARG A 114 -5.044 10.389 -12.652 1.00 0.28 H new ATOM 0 HD3 ARG A 114 -3.384 10.816 -13.019 1.00 0.28 H new ATOM 0 HE ARG A 114 -3.370 8.342 -14.112 1.00 0.82 H new ATOM 0 HH11 ARG A 114 -4.744 11.194 -15.098 1.00 1.33 H new ATOM 0 HH12 ARG A 114 -5.998 10.484 -16.120 1.00 1.33 H new ATOM 0 HH21 ARG A 114 -5.482 7.240 -14.924 1.00 2.71 H new ATOM 0 HH22 ARG A 114 -6.412 8.265 -16.022 1.00 2.71 H new ATOM 1506 N ALA A 115 -2.667 10.586 -7.386 1.00 0.37 N ATOM 1507 CA ALA A 115 -1.538 11.185 -6.623 1.00 0.38 C ATOM 1508 C ALA A 115 -1.014 10.177 -5.597 1.00 0.34 C ATOM 1509 O ALA A 115 0.101 10.285 -5.124 1.00 0.46 O ATOM 1510 CB ALA A 115 -2.023 12.442 -5.897 1.00 0.48 C ATOM 0 H ALA A 115 -3.597 10.893 -7.101 1.00 0.37 H new ATOM 0 HA ALA A 115 -0.737 11.447 -7.314 1.00 0.38 H new ATOM 0 HB1 ALA A 115 -1.197 12.881 -5.338 1.00 0.48 H new ATOM 0 HB2 ALA A 115 -2.392 13.164 -6.626 1.00 0.48 H new ATOM 0 HB3 ALA A 115 -2.826 12.178 -5.209 1.00 0.48 H new ATOM 1516 N VAL A 116 -1.806 9.201 -5.241 1.00 0.25 N ATOM 1517 CA VAL A 116 -1.341 8.200 -4.240 1.00 0.21 C ATOM 1518 C VAL A 116 -0.654 7.023 -4.955 1.00 0.21 C ATOM 1519 O VAL A 116 0.358 6.520 -4.511 1.00 0.26 O ATOM 1520 CB VAL A 116 -2.544 7.706 -3.412 1.00 0.24 C ATOM 1521 CG1 VAL A 116 -3.361 6.664 -4.192 1.00 0.34 C ATOM 1522 CG2 VAL A 116 -2.036 7.082 -2.111 1.00 0.37 C ATOM 0 H VAL A 116 -2.750 9.055 -5.598 1.00 0.25 H new ATOM 0 HA VAL A 116 -0.618 8.663 -3.569 1.00 0.21 H new ATOM 0 HB VAL A 116 -3.190 8.557 -3.196 1.00 0.24 H new ATOM 0 HG11 VAL A 116 -4.203 6.333 -3.584 1.00 0.34 H new ATOM 0 HG12 VAL A 116 -3.732 7.109 -5.115 1.00 0.34 H new ATOM 0 HG13 VAL A 116 -2.728 5.810 -4.431 1.00 0.34 H new ATOM 0 HG21 VAL A 116 -2.883 6.731 -1.521 1.00 0.37 H new ATOM 0 HG22 VAL A 116 -1.381 6.242 -2.342 1.00 0.37 H new ATOM 0 HG23 VAL A 116 -1.482 7.828 -1.542 1.00 0.37 H new ATOM 1532 N GLN A 117 -1.218 6.569 -6.046 1.00 0.21 N ATOM 1533 CA GLN A 117 -0.618 5.409 -6.774 1.00 0.30 C ATOM 1534 C GLN A 117 0.589 5.854 -7.608 1.00 0.17 C ATOM 1535 O GLN A 117 1.576 5.154 -7.699 1.00 0.25 O ATOM 1536 CB GLN A 117 -1.671 4.778 -7.690 1.00 0.55 C ATOM 1537 CG GLN A 117 -2.205 5.824 -8.674 1.00 1.90 C ATOM 1538 CD GLN A 117 -1.490 5.674 -10.019 1.00 1.55 C ATOM 1539 OE1 GLN A 117 -0.325 5.332 -10.066 1.00 1.57 O ATOM 1540 NE2 GLN A 117 -2.144 5.919 -11.122 1.00 2.40 N ATOM 0 H GLN A 117 -2.067 6.951 -6.464 1.00 0.21 H new ATOM 0 HA GLN A 117 -0.280 4.677 -6.041 1.00 0.30 H new ATOM 0 HB2 GLN A 117 -1.235 3.942 -8.237 1.00 0.55 H new ATOM 0 HB3 GLN A 117 -2.490 4.377 -7.093 1.00 0.55 H new ATOM 0 HG2 GLN A 117 -3.280 5.699 -8.806 1.00 1.90 H new ATOM 0 HG3 GLN A 117 -2.047 6.826 -8.276 1.00 1.90 H new ATOM 0 HE21 GLN A 117 -3.122 6.206 -11.082 1.00 2.40 H new ATOM 0 HE22 GLN A 117 -1.677 5.823 -12.024 1.00 2.40 H new ATOM 1549 N MET A 118 0.527 7.003 -8.222 1.00 0.15 N ATOM 1550 CA MET A 118 1.683 7.459 -9.042 1.00 0.23 C ATOM 1551 C MET A 118 2.905 7.620 -8.137 1.00 0.21 C ATOM 1552 O MET A 118 4.024 7.345 -8.529 1.00 0.29 O ATOM 1553 CB MET A 118 1.349 8.795 -9.708 1.00 0.34 C ATOM 1554 CG MET A 118 0.366 8.556 -10.859 1.00 0.46 C ATOM 1555 SD MET A 118 1.053 9.216 -12.399 1.00 0.41 S ATOM 1556 CE MET A 118 1.363 10.897 -11.806 1.00 1.13 C ATOM 0 H MET A 118 -0.268 7.641 -8.192 1.00 0.15 H new ATOM 0 HA MET A 118 1.897 6.723 -9.817 1.00 0.23 H new ATOM 0 HB2 MET A 118 0.914 9.479 -8.979 1.00 0.34 H new ATOM 0 HB3 MET A 118 2.258 9.265 -10.083 1.00 0.34 H new ATOM 0 HG2 MET A 118 0.169 7.489 -10.966 1.00 0.46 H new ATOM 0 HG3 MET A 118 -0.588 9.036 -10.640 1.00 0.46 H new ATOM 0 HE1 MET A 118 1.189 11.606 -12.615 1.00 1.13 H new ATOM 0 HE2 MET A 118 0.691 11.120 -10.977 1.00 1.13 H new ATOM 0 HE3 MET A 118 2.396 10.979 -11.468 1.00 1.13 H new ATOM 1566 N SER A 119 2.700 8.050 -6.923 1.00 0.21 N ATOM 1567 CA SER A 119 3.848 8.217 -5.989 1.00 0.26 C ATOM 1568 C SER A 119 4.352 6.836 -5.563 1.00 0.26 C ATOM 1569 O SER A 119 5.534 6.625 -5.375 1.00 0.18 O ATOM 1570 CB SER A 119 3.394 8.999 -4.755 1.00 0.28 C ATOM 1571 OG SER A 119 4.532 9.353 -3.979 1.00 1.17 O ATOM 0 H SER A 119 1.787 8.293 -6.538 1.00 0.21 H new ATOM 0 HA SER A 119 4.650 8.763 -6.486 1.00 0.26 H new ATOM 0 HB2 SER A 119 2.852 9.895 -5.057 1.00 0.28 H new ATOM 0 HB3 SER A 119 2.707 8.396 -4.161 1.00 0.28 H new ATOM 0 HG SER A 119 4.250 9.570 -3.066 1.00 1.17 H new ATOM 1577 N THR A 120 3.462 5.891 -5.416 1.00 0.39 N ATOM 1578 CA THR A 120 3.890 4.522 -5.007 1.00 0.40 C ATOM 1579 C THR A 120 4.752 3.906 -6.109 1.00 0.41 C ATOM 1580 O THR A 120 5.611 3.090 -5.851 1.00 0.46 O ATOM 1581 CB THR A 120 2.661 3.643 -4.795 1.00 0.51 C ATOM 1582 OG1 THR A 120 2.011 3.458 -6.043 1.00 1.36 O ATOM 1583 CG2 THR A 120 1.705 4.317 -3.809 1.00 0.54 C ATOM 0 H THR A 120 2.459 6.008 -5.561 1.00 0.39 H new ATOM 0 HA THR A 120 4.462 4.588 -4.081 1.00 0.40 H new ATOM 0 HB THR A 120 2.963 2.678 -4.388 1.00 0.51 H new ATOM 0 HG1 THR A 120 2.187 4.230 -6.621 1.00 1.36 H new ATOM 0 HG21 THR A 120 0.829 3.685 -3.661 1.00 0.54 H new ATOM 0 HG22 THR A 120 2.211 4.465 -2.855 1.00 0.54 H new ATOM 0 HG23 THR A 120 1.393 5.282 -4.207 1.00 0.54 H new ATOM 1591 N LYS A 121 4.544 4.305 -7.335 1.00 0.41 N ATOM 1592 CA LYS A 121 5.374 3.749 -8.438 1.00 0.42 C ATOM 1593 C LYS A 121 6.726 4.431 -8.355 1.00 0.33 C ATOM 1594 O LYS A 121 7.760 3.836 -8.583 1.00 0.31 O ATOM 1595 CB LYS A 121 4.716 4.049 -9.788 1.00 0.47 C ATOM 1596 CG LYS A 121 3.390 3.292 -9.890 1.00 0.62 C ATOM 1597 CD LYS A 121 3.438 2.326 -11.076 1.00 0.74 C ATOM 1598 CE LYS A 121 2.573 2.867 -12.215 1.00 1.55 C ATOM 1599 NZ LYS A 121 1.683 1.784 -12.723 1.00 2.25 N ATOM 0 H LYS A 121 3.840 4.987 -7.618 1.00 0.41 H new ATOM 0 HA LYS A 121 5.476 2.668 -8.347 1.00 0.42 H new ATOM 0 HB2 LYS A 121 4.544 5.120 -9.890 1.00 0.47 H new ATOM 0 HB3 LYS A 121 5.379 3.754 -10.601 1.00 0.47 H new ATOM 0 HG2 LYS A 121 3.202 2.742 -8.968 1.00 0.62 H new ATOM 0 HG3 LYS A 121 2.567 3.996 -10.015 1.00 0.62 H new ATOM 0 HD2 LYS A 121 4.466 2.201 -11.415 1.00 0.74 H new ATOM 0 HD3 LYS A 121 3.081 1.342 -10.771 1.00 0.74 H new ATOM 0 HE2 LYS A 121 1.975 3.708 -11.864 1.00 1.55 H new ATOM 0 HE3 LYS A 121 3.206 3.240 -13.021 1.00 1.55 H new ATOM 0 HZ1 LYS A 121 1.095 2.153 -13.498 1.00 2.25 H new ATOM 0 HZ2 LYS A 121 2.262 0.995 -13.073 1.00 2.25 H new ATOM 0 HZ3 LYS A 121 1.070 1.448 -11.953 1.00 2.25 H new ATOM 1613 N VAL A 122 6.714 5.679 -7.987 1.00 0.32 N ATOM 1614 CA VAL A 122 7.981 6.423 -7.833 1.00 0.22 C ATOM 1615 C VAL A 122 8.762 5.804 -6.672 1.00 0.10 C ATOM 1616 O VAL A 122 9.964 5.937 -6.580 1.00 0.10 O ATOM 1617 CB VAL A 122 7.657 7.882 -7.522 1.00 0.23 C ATOM 1618 CG1 VAL A 122 8.950 8.665 -7.347 1.00 0.21 C ATOM 1619 CG2 VAL A 122 6.853 8.475 -8.678 1.00 0.28 C ATOM 0 H VAL A 122 5.871 6.216 -7.786 1.00 0.32 H new ATOM 0 HA VAL A 122 8.576 6.372 -8.745 1.00 0.22 H new ATOM 0 HB VAL A 122 7.074 7.940 -6.603 1.00 0.23 H new ATOM 0 HG11 VAL A 122 8.717 9.707 -7.125 1.00 0.21 H new ATOM 0 HG12 VAL A 122 9.525 8.239 -6.525 1.00 0.21 H new ATOM 0 HG13 VAL A 122 9.535 8.612 -8.265 1.00 0.21 H new ATOM 0 HG21 VAL A 122 6.619 9.517 -8.461 1.00 0.28 H new ATOM 0 HG22 VAL A 122 7.439 8.418 -9.596 1.00 0.28 H new ATOM 0 HG23 VAL A 122 5.927 7.913 -8.803 1.00 0.28 H new ATOM 1629 N LEU A 123 8.079 5.116 -5.791 1.00 0.23 N ATOM 1630 CA LEU A 123 8.763 4.470 -4.637 1.00 0.23 C ATOM 1631 C LEU A 123 9.289 3.104 -5.077 1.00 0.13 C ATOM 1632 O LEU A 123 10.305 2.631 -4.605 1.00 0.12 O ATOM 1633 CB LEU A 123 7.751 4.273 -3.501 1.00 0.42 C ATOM 1634 CG LEU A 123 7.861 5.411 -2.480 1.00 0.29 C ATOM 1635 CD1 LEU A 123 9.187 5.297 -1.725 1.00 0.88 C ATOM 1636 CD2 LEU A 123 7.792 6.764 -3.196 1.00 0.40 C ATOM 0 H LEU A 123 7.069 4.975 -5.825 1.00 0.23 H new ATOM 0 HA LEU A 123 9.587 5.096 -4.294 1.00 0.23 H new ATOM 0 HB2 LEU A 123 6.741 4.238 -3.908 1.00 0.42 H new ATOM 0 HB3 LEU A 123 7.929 3.317 -3.009 1.00 0.42 H new ATOM 0 HG LEU A 123 7.034 5.338 -1.774 1.00 0.29 H new ATOM 0 HD11 LEU A 123 9.263 6.107 -1.000 1.00 0.88 H new ATOM 0 HD12 LEU A 123 9.229 4.340 -1.206 1.00 0.88 H new ATOM 0 HD13 LEU A 123 10.015 5.363 -2.431 1.00 0.88 H new ATOM 0 HD21 LEU A 123 7.871 7.568 -2.464 1.00 0.40 H new ATOM 0 HD22 LEU A 123 8.613 6.841 -3.909 1.00 0.40 H new ATOM 0 HD23 LEU A 123 6.843 6.847 -3.725 1.00 0.40 H new ATOM 1648 N ILE A 124 8.596 2.468 -5.979 1.00 0.19 N ATOM 1649 CA ILE A 124 9.031 1.130 -6.463 1.00 0.19 C ATOM 1650 C ILE A 124 10.323 1.272 -7.274 1.00 0.21 C ATOM 1651 O ILE A 124 11.210 0.445 -7.195 1.00 0.22 O ATOM 1652 CB ILE A 124 7.930 0.535 -7.346 1.00 0.36 C ATOM 1653 CG1 ILE A 124 6.663 0.326 -6.513 1.00 0.23 C ATOM 1654 CG2 ILE A 124 8.384 -0.812 -7.909 1.00 0.65 C ATOM 1655 CD1 ILE A 124 5.441 0.312 -7.435 1.00 0.44 C ATOM 0 H ILE A 124 7.739 2.822 -6.405 1.00 0.19 H new ATOM 0 HA ILE A 124 9.214 0.473 -5.613 1.00 0.19 H new ATOM 0 HB ILE A 124 7.725 1.222 -8.167 1.00 0.36 H new ATOM 0 HG12 ILE A 124 6.727 -0.613 -5.963 1.00 0.23 H new ATOM 0 HG13 ILE A 124 6.565 1.122 -5.775 1.00 0.23 H new ATOM 0 HG21 ILE A 124 7.596 -1.229 -8.536 1.00 0.65 H new ATOM 0 HG22 ILE A 124 9.286 -0.672 -8.505 1.00 0.65 H new ATOM 0 HG23 ILE A 124 8.595 -1.497 -7.088 1.00 0.65 H new ATOM 0 HD11 ILE A 124 4.539 0.163 -6.841 1.00 0.44 H new ATOM 0 HD12 ILE A 124 5.374 1.262 -7.965 1.00 0.44 H new ATOM 0 HD13 ILE A 124 5.539 -0.499 -8.156 1.00 0.44 H new ATOM 1667 N GLN A 125 10.433 2.308 -8.057 1.00 0.30 N ATOM 1668 CA GLN A 125 11.657 2.497 -8.875 1.00 0.43 C ATOM 1669 C GLN A 125 12.727 3.217 -8.053 1.00 0.39 C ATOM 1670 O GLN A 125 13.896 2.894 -8.123 1.00 0.53 O ATOM 1671 CB GLN A 125 11.302 3.328 -10.105 1.00 0.49 C ATOM 1672 CG GLN A 125 11.104 2.398 -11.303 1.00 0.77 C ATOM 1673 CD GLN A 125 11.699 3.040 -12.558 1.00 1.09 C ATOM 1674 OE1 GLN A 125 11.436 4.190 -12.850 1.00 0.78 O ATOM 1675 NE2 GLN A 125 12.493 2.338 -13.319 1.00 1.83 N ATOM 0 H GLN A 125 9.724 3.033 -8.164 1.00 0.30 H new ATOM 0 HA GLN A 125 12.048 1.527 -9.184 1.00 0.43 H new ATOM 0 HB2 GLN A 125 10.393 3.901 -9.921 1.00 0.49 H new ATOM 0 HB3 GLN A 125 12.095 4.046 -10.314 1.00 0.49 H new ATOM 0 HG2 GLN A 125 11.582 1.437 -11.113 1.00 0.77 H new ATOM 0 HG3 GLN A 125 10.042 2.202 -11.452 1.00 0.77 H new ATOM 0 HE21 GLN A 125 12.713 1.373 -13.073 1.00 1.83 H new ATOM 0 HE22 GLN A 125 12.893 2.754 -14.160 1.00 1.83 H new ATOM 1684 N PHE A 126 12.342 4.191 -7.276 1.00 0.27 N ATOM 1685 CA PHE A 126 13.347 4.926 -6.454 1.00 0.35 C ATOM 1686 C PHE A 126 14.035 3.949 -5.496 1.00 0.45 C ATOM 1687 O PHE A 126 15.203 4.085 -5.190 1.00 0.59 O ATOM 1688 CB PHE A 126 12.651 6.022 -5.642 1.00 0.30 C ATOM 1689 CG PHE A 126 12.471 7.259 -6.494 1.00 0.30 C ATOM 1690 CD1 PHE A 126 12.030 7.147 -7.820 1.00 0.15 C ATOM 1691 CD2 PHE A 126 12.744 8.522 -5.953 1.00 0.51 C ATOM 1692 CE1 PHE A 126 11.864 8.297 -8.602 1.00 0.24 C ATOM 1693 CE2 PHE A 126 12.577 9.671 -6.736 1.00 0.58 C ATOM 1694 CZ PHE A 126 12.138 9.558 -8.060 1.00 0.45 C ATOM 0 H PHE A 126 11.379 4.510 -7.174 1.00 0.27 H new ATOM 0 HA PHE A 126 14.087 5.378 -7.114 1.00 0.35 H new ATOM 0 HB2 PHE A 126 11.682 5.667 -5.292 1.00 0.30 H new ATOM 0 HB3 PHE A 126 13.241 6.262 -4.758 1.00 0.30 H new ATOM 0 HD1 PHE A 126 11.818 6.174 -8.238 1.00 0.15 H new ATOM 0 HD2 PHE A 126 13.083 8.610 -4.931 1.00 0.51 H new ATOM 0 HE1 PHE A 126 11.524 8.211 -9.624 1.00 0.24 H new ATOM 0 HE2 PHE A 126 12.787 10.644 -6.318 1.00 0.58 H new ATOM 0 HZ PHE A 126 12.011 10.444 -8.664 1.00 0.45 H new ATOM 1704 N LEU A 127 13.319 2.966 -5.018 1.00 0.39 N ATOM 1705 CA LEU A 127 13.931 1.982 -4.078 1.00 0.49 C ATOM 1706 C LEU A 127 14.756 0.967 -4.867 1.00 0.57 C ATOM 1707 O LEU A 127 15.907 0.716 -4.567 1.00 0.71 O ATOM 1708 CB LEU A 127 12.819 1.245 -3.319 1.00 0.41 C ATOM 1709 CG LEU A 127 13.235 1.000 -1.862 1.00 0.87 C ATOM 1710 CD1 LEU A 127 14.603 0.312 -1.814 1.00 2.48 C ATOM 1711 CD2 LEU A 127 13.303 2.332 -1.109 1.00 0.76 C ATOM 0 H LEU A 127 12.337 2.802 -5.238 1.00 0.39 H new ATOM 0 HA LEU A 127 14.575 2.507 -3.372 1.00 0.49 H new ATOM 0 HB2 LEU A 127 11.901 1.831 -3.348 1.00 0.41 H new ATOM 0 HB3 LEU A 127 12.606 0.294 -3.807 1.00 0.41 H new ATOM 0 HG LEU A 127 12.495 0.355 -1.388 1.00 0.87 H new ATOM 0 HD11 LEU A 127 14.889 0.143 -0.776 1.00 2.48 H new ATOM 0 HD12 LEU A 127 14.548 -0.643 -2.336 1.00 2.48 H new ATOM 0 HD13 LEU A 127 15.347 0.947 -2.296 1.00 2.48 H new ATOM 0 HD21 LEU A 127 13.599 2.151 -0.076 1.00 0.76 H new ATOM 0 HD22 LEU A 127 14.035 2.983 -1.587 1.00 0.76 H new ATOM 0 HD23 LEU A 127 12.324 2.811 -1.128 1.00 0.76 H new ATOM 1723 N GLN A 128 14.172 0.376 -5.872 1.00 0.54 N ATOM 1724 CA GLN A 128 14.912 -0.628 -6.681 1.00 0.63 C ATOM 1725 C GLN A 128 16.184 0.008 -7.255 1.00 0.60 C ATOM 1726 O GLN A 128 17.115 -0.675 -7.633 1.00 0.42 O ATOM 1727 CB GLN A 128 14.024 -1.109 -7.831 1.00 0.64 C ATOM 1728 CG GLN A 128 13.431 -2.476 -7.482 1.00 1.11 C ATOM 1729 CD GLN A 128 12.125 -2.678 -8.255 1.00 1.22 C ATOM 1730 OE1 GLN A 128 11.544 -1.732 -8.747 1.00 1.52 O ATOM 1731 NE2 GLN A 128 11.636 -3.882 -8.382 1.00 1.83 N ATOM 0 H GLN A 128 13.211 0.547 -6.168 1.00 0.54 H new ATOM 0 HA GLN A 128 15.183 -1.473 -6.048 1.00 0.63 H new ATOM 0 HB2 GLN A 128 13.225 -0.390 -8.013 1.00 0.64 H new ATOM 0 HB3 GLN A 128 14.606 -1.177 -8.750 1.00 0.64 H new ATOM 0 HG2 GLN A 128 14.139 -3.266 -7.731 1.00 1.11 H new ATOM 0 HG3 GLN A 128 13.245 -2.541 -6.410 1.00 1.11 H new ATOM 0 HE21 GLN A 128 12.124 -4.677 -7.969 1.00 1.83 H new ATOM 0 HE22 GLN A 128 10.766 -4.028 -8.894 1.00 1.83 H new ATOM 1740 N LYS A 129 16.225 1.313 -7.332 1.00 0.86 N ATOM 1741 CA LYS A 129 17.429 1.995 -7.891 1.00 0.88 C ATOM 1742 C LYS A 129 18.489 2.158 -6.799 1.00 0.76 C ATOM 1743 O LYS A 129 19.623 1.749 -6.957 1.00 0.56 O ATOM 1744 CB LYS A 129 17.030 3.376 -8.416 1.00 1.22 C ATOM 1745 CG LYS A 129 16.666 3.276 -9.899 1.00 0.82 C ATOM 1746 CD LYS A 129 15.775 4.458 -10.286 1.00 1.11 C ATOM 1747 CE LYS A 129 16.580 5.756 -10.195 1.00 2.52 C ATOM 1748 NZ LYS A 129 16.958 6.203 -11.565 1.00 2.33 N ATOM 0 H LYS A 129 15.475 1.936 -7.031 1.00 0.86 H new ATOM 0 HA LYS A 129 17.838 1.393 -8.703 1.00 0.88 H new ATOM 0 HB2 LYS A 129 16.183 3.761 -7.848 1.00 1.22 H new ATOM 0 HB3 LYS A 129 17.851 4.079 -8.279 1.00 1.22 H new ATOM 0 HG2 LYS A 129 17.571 3.274 -10.507 1.00 0.82 H new ATOM 0 HG3 LYS A 129 16.148 2.337 -10.095 1.00 0.82 H new ATOM 0 HD2 LYS A 129 15.395 4.324 -11.299 1.00 1.11 H new ATOM 0 HD3 LYS A 129 14.910 4.507 -9.624 1.00 1.11 H new ATOM 0 HE2 LYS A 129 15.991 6.528 -9.699 1.00 2.52 H new ATOM 0 HE3 LYS A 129 17.475 5.600 -9.592 1.00 2.52 H new ATOM 0 HZ1 LYS A 129 17.505 7.085 -11.504 1.00 2.33 H new ATOM 0 HZ2 LYS A 129 17.535 5.469 -12.023 1.00 2.33 H new ATOM 0 HZ3 LYS A 129 16.098 6.367 -12.126 1.00 2.33 H new ATOM 1762 N LYS A 130 18.133 2.754 -5.693 1.00 0.93 N ATOM 1763 CA LYS A 130 19.127 2.944 -4.598 1.00 0.94 C ATOM 1764 C LYS A 130 19.103 1.743 -3.656 1.00 0.80 C ATOM 1765 O LYS A 130 19.563 1.818 -2.534 1.00 0.90 O ATOM 1766 CB LYS A 130 18.792 4.218 -3.817 1.00 1.23 C ATOM 1767 CG LYS A 130 17.415 4.076 -3.166 1.00 0.76 C ATOM 1768 CD LYS A 130 17.573 4.029 -1.645 1.00 1.12 C ATOM 1769 CE LYS A 130 16.372 3.309 -1.028 1.00 1.77 C ATOM 1770 NZ LYS A 130 16.846 2.354 0.012 1.00 2.04 N ATOM 0 H LYS A 130 17.199 3.117 -5.501 1.00 0.93 H new ATOM 0 HA LYS A 130 20.123 3.035 -5.032 1.00 0.94 H new ATOM 0 HB2 LYS A 130 19.549 4.398 -3.054 1.00 1.23 H new ATOM 0 HB3 LYS A 130 18.802 5.079 -4.485 1.00 1.23 H new ATOM 0 HG2 LYS A 130 16.778 4.914 -3.451 1.00 0.76 H new ATOM 0 HG3 LYS A 130 16.925 3.169 -3.520 1.00 0.76 H new ATOM 0 HD2 LYS A 130 18.495 3.512 -1.381 1.00 1.12 H new ATOM 0 HD3 LYS A 130 17.649 5.040 -1.245 1.00 1.12 H new ATOM 0 HE2 LYS A 130 15.688 4.033 -0.587 1.00 1.77 H new ATOM 0 HE3 LYS A 130 15.818 2.776 -1.801 1.00 1.77 H new ATOM 0 HZ1 LYS A 130 16.027 1.939 0.502 1.00 2.04 H new ATOM 0 HZ2 LYS A 130 17.400 1.597 -0.438 1.00 2.04 H new ATOM 0 HZ3 LYS A 130 17.442 2.857 0.700 1.00 2.04 H new ATOM 1784 N ALA A 131 18.583 0.630 -4.099 1.00 0.61 N ATOM 1785 CA ALA A 131 18.552 -0.568 -3.222 1.00 0.50 C ATOM 1786 C ALA A 131 19.864 -1.348 -3.378 1.00 0.54 C ATOM 1787 O ALA A 131 19.856 -2.552 -3.543 1.00 0.61 O ATOM 1788 CB ALA A 131 17.375 -1.460 -3.621 1.00 0.46 C ATOM 0 H ALA A 131 18.180 0.502 -5.027 1.00 0.61 H new ATOM 0 HA ALA A 131 18.436 -0.258 -2.184 1.00 0.50 H new ATOM 0 HB1 ALA A 131 17.351 -2.340 -2.978 1.00 0.46 H new ATOM 0 HB2 ALA A 131 16.444 -0.904 -3.511 1.00 0.46 H new ATOM 0 HB3 ALA A 131 17.491 -1.772 -4.659 1.00 0.46 H new ATOM 1794 N LYS A 132 20.993 -0.672 -3.326 1.00 0.74 N ATOM 1795 CA LYS A 132 22.309 -1.380 -3.466 1.00 0.91 C ATOM 1796 C LYS A 132 22.313 -2.633 -2.583 1.00 1.07 C ATOM 1797 O LYS A 132 21.736 -2.645 -1.512 1.00 1.14 O ATOM 1798 CB LYS A 132 23.440 -0.444 -3.031 1.00 1.26 C ATOM 1799 CG LYS A 132 23.100 0.165 -1.669 1.00 1.46 C ATOM 1800 CD LYS A 132 22.860 1.668 -1.828 1.00 0.58 C ATOM 1801 CE LYS A 132 21.846 2.133 -0.783 1.00 1.24 C ATOM 1802 NZ LYS A 132 22.538 2.352 0.519 1.00 1.17 N ATOM 0 H LYS A 132 21.058 0.337 -3.193 1.00 0.74 H new ATOM 0 HA LYS A 132 22.457 -1.670 -4.506 1.00 0.91 H new ATOM 0 HB2 LYS A 132 24.379 -0.994 -2.972 1.00 1.26 H new ATOM 0 HB3 LYS A 132 23.579 0.345 -3.770 1.00 1.26 H new ATOM 0 HG2 LYS A 132 22.212 -0.314 -1.256 1.00 1.46 H new ATOM 0 HG3 LYS A 132 23.914 -0.012 -0.966 1.00 1.46 H new ATOM 0 HD2 LYS A 132 23.797 2.212 -1.709 1.00 0.58 H new ATOM 0 HD3 LYS A 132 22.491 1.885 -2.831 1.00 0.58 H new ATOM 0 HE2 LYS A 132 21.366 3.055 -1.111 1.00 1.24 H new ATOM 0 HE3 LYS A 132 21.059 1.388 -0.668 1.00 1.24 H new ATOM 0 HZ1 LYS A 132 21.848 2.668 1.230 1.00 1.17 H new ATOM 0 HZ2 LYS A 132 22.976 1.463 0.833 1.00 1.17 H new ATOM 0 HZ3 LYS A 132 23.274 3.078 0.403 1.00 1.17 H new ATOM 1816 N ASN A 133 22.924 -3.701 -3.027 1.00 1.19 N ATOM 1817 CA ASN A 133 22.913 -4.950 -2.211 1.00 1.47 C ATOM 1818 C ASN A 133 21.455 -5.313 -1.936 1.00 1.32 C ATOM 1819 O ASN A 133 21.081 -5.702 -0.848 1.00 1.45 O ATOM 1820 CB ASN A 133 23.652 -4.721 -0.891 1.00 1.76 C ATOM 1821 CG ASN A 133 23.973 -6.071 -0.246 1.00 2.76 C ATOM 1822 OD1 ASN A 133 23.373 -6.443 0.743 1.00 3.53 O ATOM 1823 ND2 ASN A 133 24.902 -6.824 -0.768 1.00 3.24 N ATOM 0 H ASN A 133 23.426 -3.762 -3.913 1.00 1.19 H new ATOM 0 HA ASN A 133 23.413 -5.758 -2.745 1.00 1.47 H new ATOM 0 HB2 ASN A 133 24.571 -4.163 -1.068 1.00 1.76 H new ATOM 0 HB3 ASN A 133 23.039 -4.121 -0.218 1.00 1.76 H new ATOM 0 HD21 ASN A 133 25.125 -7.725 -0.346 1.00 3.24 H new ATOM 0 HD22 ASN A 133 25.405 -6.511 -1.598 1.00 3.24 H new ATOM 1830 N LEU A 134 20.635 -5.149 -2.932 1.00 1.08 N ATOM 1831 CA LEU A 134 19.184 -5.434 -2.787 1.00 1.05 C ATOM 1832 C LEU A 134 18.493 -5.048 -4.093 1.00 1.30 C ATOM 1833 O LEU A 134 19.134 -4.911 -5.112 1.00 1.59 O ATOM 1834 CB LEU A 134 18.629 -4.590 -1.637 1.00 0.81 C ATOM 1835 CG LEU A 134 18.212 -5.503 -0.484 1.00 1.16 C ATOM 1836 CD1 LEU A 134 18.757 -4.939 0.829 1.00 1.12 C ATOM 1837 CD2 LEU A 134 16.686 -5.575 -0.414 1.00 1.53 C ATOM 0 H LEU A 134 20.914 -4.823 -3.857 1.00 1.08 H new ATOM 0 HA LEU A 134 19.013 -6.489 -2.574 1.00 1.05 H new ATOM 0 HB2 LEU A 134 19.383 -3.880 -1.297 1.00 0.81 H new ATOM 0 HB3 LEU A 134 17.774 -4.007 -1.980 1.00 0.81 H new ATOM 0 HG LEU A 134 18.613 -6.503 -0.647 1.00 1.16 H new ATOM 0 HD11 LEU A 134 18.462 -5.587 1.654 1.00 1.12 H new ATOM 0 HD12 LEU A 134 19.845 -4.888 0.779 1.00 1.12 H new ATOM 0 HD13 LEU A 134 18.354 -3.939 0.991 1.00 1.12 H new ATOM 0 HD21 LEU A 134 16.390 -6.226 0.408 1.00 1.53 H new ATOM 0 HD22 LEU A 134 16.282 -4.576 -0.250 1.00 1.53 H new ATOM 0 HD23 LEU A 134 16.297 -5.974 -1.351 1.00 1.53 H new ATOM 1849 N ASP A 135 17.198 -4.874 -4.062 1.00 1.57 N ATOM 1850 CA ASP A 135 16.428 -4.486 -5.290 1.00 2.43 C ATOM 1851 C ASP A 135 16.092 -5.738 -6.109 1.00 1.43 C ATOM 1852 O ASP A 135 16.836 -6.698 -6.134 1.00 0.68 O ATOM 1853 CB ASP A 135 17.215 -3.436 -6.130 1.00 3.85 C ATOM 1854 CG ASP A 135 17.965 -4.068 -7.319 1.00 4.16 C ATOM 1855 OD1 ASP A 135 17.308 -4.613 -8.190 1.00 4.26 O ATOM 1856 OD2 ASP A 135 19.183 -3.983 -7.339 1.00 4.58 O ATOM 0 H ASP A 135 16.628 -4.986 -3.224 1.00 1.57 H new ATOM 0 HA ASP A 135 15.491 -4.016 -4.991 1.00 2.43 H new ATOM 0 HB2 ASP A 135 16.522 -2.681 -6.502 1.00 3.85 H new ATOM 0 HB3 ASP A 135 17.929 -2.923 -5.486 1.00 3.85 H new ATOM 1861 N ALA A 136 14.964 -5.729 -6.768 1.00 1.73 N ATOM 1862 CA ALA A 136 14.548 -6.908 -7.579 1.00 1.46 C ATOM 1863 C ALA A 136 14.106 -8.008 -6.639 1.00 1.16 C ATOM 1864 O ALA A 136 14.609 -9.114 -6.655 1.00 2.46 O ATOM 1865 CB ALA A 136 15.701 -7.402 -8.443 1.00 1.45 C ATOM 0 H ALA A 136 14.308 -4.948 -6.779 1.00 1.73 H new ATOM 0 HA ALA A 136 13.728 -6.621 -8.238 1.00 1.46 H new ATOM 0 HB1 ALA A 136 15.375 -8.263 -9.027 1.00 1.45 H new ATOM 0 HB2 ALA A 136 16.018 -6.606 -9.117 1.00 1.45 H new ATOM 0 HB3 ALA A 136 16.536 -7.691 -7.805 1.00 1.45 H new ATOM 1871 N ILE A 137 13.168 -7.686 -5.814 1.00 0.82 N ATOM 1872 CA ILE A 137 12.639 -8.651 -4.837 1.00 0.57 C ATOM 1873 C ILE A 137 11.506 -9.451 -5.513 1.00 0.81 C ATOM 1874 O ILE A 137 10.404 -9.563 -5.018 1.00 1.14 O ATOM 1875 CB ILE A 137 12.153 -7.811 -3.646 1.00 0.96 C ATOM 1876 CG1 ILE A 137 13.349 -7.467 -2.757 1.00 0.90 C ATOM 1877 CG2 ILE A 137 11.112 -8.548 -2.816 1.00 1.54 C ATOM 1878 CD1 ILE A 137 14.394 -6.691 -3.561 1.00 0.53 C ATOM 0 H ILE A 137 12.733 -6.764 -5.776 1.00 0.82 H new ATOM 0 HA ILE A 137 13.373 -9.378 -4.490 1.00 0.57 H new ATOM 0 HB ILE A 137 11.688 -6.907 -4.040 1.00 0.96 H new ATOM 0 HG12 ILE A 137 13.020 -6.873 -1.904 1.00 0.90 H new ATOM 0 HG13 ILE A 137 13.790 -8.380 -2.358 1.00 0.90 H new ATOM 0 HG21 ILE A 137 10.796 -7.917 -1.985 1.00 1.54 H new ATOM 0 HG22 ILE A 137 10.250 -8.784 -3.440 1.00 1.54 H new ATOM 0 HG23 ILE A 137 11.543 -9.471 -2.428 1.00 1.54 H new ATOM 0 HD11 ILE A 137 15.242 -6.451 -2.919 1.00 0.53 H new ATOM 0 HD12 ILE A 137 14.734 -7.300 -4.399 1.00 0.53 H new ATOM 0 HD13 ILE A 137 13.952 -5.769 -3.938 1.00 0.53 H new ATOM 1890 N THR A 138 11.771 -10.001 -6.668 1.00 1.02 N ATOM 1891 CA THR A 138 10.717 -10.774 -7.381 1.00 1.14 C ATOM 1892 C THR A 138 9.459 -9.915 -7.492 1.00 0.84 C ATOM 1893 O THR A 138 9.441 -8.774 -7.070 1.00 0.67 O ATOM 1894 CB THR A 138 10.398 -12.053 -6.603 1.00 1.28 C ATOM 1895 OG1 THR A 138 11.232 -12.134 -5.455 1.00 1.33 O ATOM 1896 CG2 THR A 138 10.644 -13.263 -7.502 1.00 1.66 C ATOM 0 H THR A 138 12.670 -9.948 -7.146 1.00 1.02 H new ATOM 0 HA THR A 138 11.070 -11.042 -8.377 1.00 1.14 H new ATOM 0 HB THR A 138 9.355 -12.038 -6.288 1.00 1.28 H new ATOM 0 HG1 THR A 138 11.025 -12.953 -4.957 1.00 1.33 H new ATOM 0 HG21 THR A 138 10.418 -14.177 -6.952 1.00 1.66 H new ATOM 0 HG22 THR A 138 10.002 -13.200 -8.381 1.00 1.66 H new ATOM 0 HG23 THR A 138 11.688 -13.277 -7.816 1.00 1.66 H new ATOM 1904 N THR A 139 8.413 -10.440 -8.054 1.00 0.79 N ATOM 1905 CA THR A 139 7.173 -9.638 -8.187 1.00 0.50 C ATOM 1906 C THR A 139 6.066 -10.506 -8.801 1.00 0.58 C ATOM 1907 O THR A 139 6.350 -11.386 -9.589 1.00 0.53 O ATOM 1908 CB THR A 139 7.474 -8.426 -9.081 1.00 0.16 C ATOM 1909 OG1 THR A 139 6.435 -7.468 -8.953 1.00 0.23 O ATOM 1910 CG2 THR A 139 7.599 -8.856 -10.551 1.00 0.17 C ATOM 0 H THR A 139 8.363 -11.388 -8.427 1.00 0.79 H new ATOM 0 HA THR A 139 6.833 -9.291 -7.211 1.00 0.50 H new ATOM 0 HB THR A 139 8.419 -7.986 -8.764 1.00 0.16 H new ATOM 0 HG1 THR A 139 6.345 -6.969 -9.792 1.00 0.23 H new ATOM 0 HG21 THR A 139 7.812 -7.983 -11.168 1.00 0.17 H new ATOM 0 HG22 THR A 139 8.409 -9.578 -10.651 1.00 0.17 H new ATOM 0 HG23 THR A 139 6.664 -9.312 -10.878 1.00 0.17 H new ATOM 1918 N PRO A 140 4.832 -10.237 -8.436 1.00 0.95 N ATOM 1919 CA PRO A 140 3.689 -10.993 -8.963 1.00 1.30 C ATOM 1920 C PRO A 140 3.401 -10.561 -10.392 1.00 1.42 C ATOM 1921 O PRO A 140 2.840 -9.512 -10.640 1.00 1.65 O ATOM 1922 CB PRO A 140 2.539 -10.634 -8.019 1.00 1.81 C ATOM 1923 CG PRO A 140 2.927 -9.294 -7.354 1.00 1.73 C ATOM 1924 CD PRO A 140 4.456 -9.165 -7.482 1.00 1.18 C ATOM 0 HA PRO A 140 3.858 -12.069 -9.000 1.00 1.30 H new ATOM 0 HB2 PRO A 140 1.601 -10.539 -8.567 1.00 1.81 H new ATOM 0 HB3 PRO A 140 2.393 -11.412 -7.270 1.00 1.81 H new ATOM 0 HG2 PRO A 140 2.426 -8.459 -7.844 1.00 1.73 H new ATOM 0 HG3 PRO A 140 2.623 -9.279 -6.307 1.00 1.73 H new ATOM 0 HD2 PRO A 140 4.743 -8.182 -7.854 1.00 1.18 H new ATOM 0 HD3 PRO A 140 4.949 -9.298 -6.519 1.00 1.18 H new ATOM 1932 N ASP A 141 3.789 -11.382 -11.330 1.00 1.49 N ATOM 1933 CA ASP A 141 3.561 -11.080 -12.770 1.00 1.97 C ATOM 1934 C ASP A 141 2.131 -10.544 -12.961 1.00 1.68 C ATOM 1935 O ASP A 141 1.295 -10.752 -12.110 1.00 1.48 O ATOM 1936 CB ASP A 141 3.733 -12.384 -13.547 1.00 2.73 C ATOM 1937 CG ASP A 141 4.725 -12.187 -14.696 1.00 3.36 C ATOM 1938 OD1 ASP A 141 5.855 -11.815 -14.420 1.00 3.36 O ATOM 1939 OD2 ASP A 141 4.339 -12.411 -15.831 1.00 3.99 O ATOM 0 H ASP A 141 4.264 -12.267 -11.154 1.00 1.49 H new ATOM 0 HA ASP A 141 4.266 -10.328 -13.125 1.00 1.97 H new ATOM 0 HB2 ASP A 141 4.089 -13.169 -12.880 1.00 2.73 H new ATOM 0 HB3 ASP A 141 2.770 -12.712 -13.940 1.00 2.73 H new ATOM 1944 N PRO A 142 1.883 -9.865 -14.057 1.00 1.76 N ATOM 1945 CA PRO A 142 0.548 -9.304 -14.332 1.00 1.62 C ATOM 1946 C PRO A 142 -0.440 -10.416 -14.707 1.00 1.45 C ATOM 1947 O PRO A 142 -1.631 -10.192 -14.799 1.00 1.59 O ATOM 1948 CB PRO A 142 0.789 -8.341 -15.498 1.00 1.95 C ATOM 1949 CG PRO A 142 2.100 -8.800 -16.177 1.00 2.20 C ATOM 1950 CD PRO A 142 2.882 -9.595 -15.116 1.00 2.10 C ATOM 0 HA PRO A 142 0.107 -8.803 -13.470 1.00 1.62 H new ATOM 0 HB2 PRO A 142 -0.043 -8.367 -16.202 1.00 1.95 H new ATOM 0 HB3 PRO A 142 0.874 -7.314 -15.143 1.00 1.95 H new ATOM 0 HG2 PRO A 142 1.890 -9.419 -17.049 1.00 2.20 H new ATOM 0 HG3 PRO A 142 2.678 -7.944 -16.525 1.00 2.20 H new ATOM 0 HD2 PRO A 142 3.286 -10.520 -15.528 1.00 2.10 H new ATOM 0 HD3 PRO A 142 3.726 -9.023 -14.731 1.00 2.10 H new ATOM 1958 N THR A 143 0.037 -11.617 -14.905 1.00 1.17 N ATOM 1959 CA THR A 143 -0.889 -12.733 -15.247 1.00 1.03 C ATOM 1960 C THR A 143 -1.480 -13.286 -13.952 1.00 0.91 C ATOM 1961 O THR A 143 -2.677 -13.454 -13.826 1.00 0.81 O ATOM 1962 CB THR A 143 -0.120 -13.837 -15.978 1.00 0.91 C ATOM 1963 OG1 THR A 143 0.999 -14.230 -15.195 1.00 0.66 O ATOM 1964 CG2 THR A 143 0.361 -13.316 -17.332 1.00 1.39 C ATOM 0 H THR A 143 1.023 -11.871 -14.845 1.00 1.17 H new ATOM 0 HA THR A 143 -1.686 -12.371 -15.896 1.00 1.03 H new ATOM 0 HB THR A 143 -0.775 -14.694 -16.134 1.00 0.91 H new ATOM 0 HG1 THR A 143 1.492 -14.938 -15.660 1.00 0.66 H new ATOM 0 HG21 THR A 143 0.908 -14.103 -17.851 1.00 1.39 H new ATOM 0 HG22 THR A 143 -0.498 -13.015 -17.932 1.00 1.39 H new ATOM 0 HG23 THR A 143 1.016 -12.458 -17.180 1.00 1.39 H new ATOM 1972 N THR A 144 -0.653 -13.549 -12.977 1.00 0.93 N ATOM 1973 CA THR A 144 -1.175 -14.066 -11.683 1.00 0.84 C ATOM 1974 C THR A 144 -1.914 -12.928 -10.977 1.00 0.79 C ATOM 1975 O THR A 144 -2.937 -13.126 -10.347 1.00 0.75 O ATOM 1976 CB THR A 144 -0.011 -14.547 -10.814 1.00 0.90 C ATOM 1977 OG1 THR A 144 1.022 -15.054 -11.647 1.00 1.05 O ATOM 1978 CG2 THR A 144 -0.496 -15.648 -9.870 1.00 1.14 C ATOM 0 H THR A 144 0.359 -13.428 -13.021 1.00 0.93 H new ATOM 0 HA THR A 144 -1.852 -14.903 -11.855 1.00 0.84 H new ATOM 0 HB THR A 144 0.373 -13.713 -10.227 1.00 0.90 H new ATOM 0 HG1 THR A 144 1.769 -15.361 -11.092 1.00 1.05 H new ATOM 0 HG21 THR A 144 0.334 -15.989 -9.252 1.00 1.14 H new ATOM 0 HG22 THR A 144 -1.287 -15.257 -9.231 1.00 1.14 H new ATOM 0 HG23 THR A 144 -0.881 -16.484 -10.454 1.00 1.14 H new ATOM 1986 N ASN A 145 -1.409 -11.729 -11.093 1.00 0.78 N ATOM 1987 CA ASN A 145 -2.085 -10.572 -10.452 1.00 0.73 C ATOM 1988 C ASN A 145 -3.422 -10.323 -11.148 1.00 0.66 C ATOM 1989 O ASN A 145 -4.274 -9.633 -10.635 1.00 0.60 O ATOM 1990 CB ASN A 145 -1.210 -9.324 -10.553 1.00 0.72 C ATOM 1991 CG ASN A 145 -1.178 -8.632 -9.189 1.00 0.78 C ATOM 1992 OD1 ASN A 145 -2.232 -8.695 -8.415 1.00 0.77 O flip ATOM 1993 ND2 ASN A 145 -0.190 -8.028 -8.822 1.00 0.96 N flip ATOM 0 H ASN A 145 -0.556 -11.504 -11.605 1.00 0.78 H new ATOM 0 HA ASN A 145 -2.254 -10.794 -9.398 1.00 0.73 H new ATOM 0 HB2 ASN A 145 -0.201 -9.595 -10.862 1.00 0.72 H new ATOM 0 HB3 ASN A 145 -1.605 -8.647 -11.311 1.00 0.72 H new ATOM 0 HD21 ASN A 145 0.631 -7.979 -9.425 1.00 0.96 H new ATOM 0 HD22 ASN A 145 -0.182 -7.570 -7.911 1.00 0.96 H new ATOM 2000 N ALA A 146 -3.625 -10.895 -12.305 1.00 0.69 N ATOM 2001 CA ALA A 146 -4.924 -10.705 -13.001 1.00 0.64 C ATOM 2002 C ALA A 146 -5.960 -11.564 -12.287 1.00 0.56 C ATOM 2003 O ALA A 146 -7.127 -11.234 -12.227 1.00 0.50 O ATOM 2004 CB ALA A 146 -4.799 -11.149 -14.460 1.00 0.73 C ATOM 0 H ALA A 146 -2.949 -11.482 -12.794 1.00 0.69 H new ATOM 0 HA ALA A 146 -5.219 -9.656 -12.983 1.00 0.64 H new ATOM 0 HB1 ALA A 146 -5.754 -11.008 -14.966 1.00 0.73 H new ATOM 0 HB2 ALA A 146 -4.033 -10.554 -14.957 1.00 0.73 H new ATOM 0 HB3 ALA A 146 -4.521 -12.202 -14.497 1.00 0.73 H new ATOM 2010 N SER A 147 -5.529 -12.662 -11.727 1.00 0.56 N ATOM 2011 CA SER A 147 -6.474 -13.543 -10.994 1.00 0.49 C ATOM 2012 C SER A 147 -6.788 -12.907 -9.638 1.00 0.45 C ATOM 2013 O SER A 147 -7.909 -12.934 -9.178 1.00 0.41 O ATOM 2014 CB SER A 147 -5.841 -14.919 -10.787 1.00 0.47 C ATOM 2015 OG SER A 147 -6.862 -15.866 -10.500 1.00 0.46 O ATOM 0 H SER A 147 -4.562 -12.985 -11.747 1.00 0.56 H new ATOM 0 HA SER A 147 -7.393 -13.661 -11.568 1.00 0.49 H new ATOM 0 HB2 SER A 147 -5.292 -15.218 -11.680 1.00 0.47 H new ATOM 0 HB3 SER A 147 -5.122 -14.882 -9.968 1.00 0.47 H new ATOM 0 HG SER A 147 -6.460 -16.750 -10.368 1.00 0.46 H new ATOM 2021 N LEU A 148 -5.813 -12.317 -8.996 1.00 0.48 N ATOM 2022 CA LEU A 148 -6.097 -11.666 -7.685 1.00 0.46 C ATOM 2023 C LEU A 148 -7.088 -10.531 -7.927 1.00 0.44 C ATOM 2024 O LEU A 148 -8.091 -10.426 -7.265 1.00 0.48 O ATOM 2025 CB LEU A 148 -4.799 -11.103 -7.075 1.00 0.48 C ATOM 2026 CG LEU A 148 -5.123 -10.032 -6.013 1.00 0.48 C ATOM 2027 CD1 LEU A 148 -5.998 -10.627 -4.907 1.00 0.45 C ATOM 2028 CD2 LEU A 148 -3.831 -9.508 -5.402 1.00 0.57 C ATOM 0 H LEU A 148 -4.847 -12.258 -9.317 1.00 0.48 H new ATOM 0 HA LEU A 148 -6.513 -12.395 -6.989 1.00 0.46 H new ATOM 0 HB2 LEU A 148 -4.223 -11.910 -6.623 1.00 0.48 H new ATOM 0 HB3 LEU A 148 -4.179 -10.670 -7.860 1.00 0.48 H new ATOM 0 HG LEU A 148 -5.661 -9.216 -6.494 1.00 0.48 H new ATOM 0 HD11 LEU A 148 -6.218 -9.860 -4.165 1.00 0.45 H new ATOM 0 HD12 LEU A 148 -6.930 -10.993 -5.338 1.00 0.45 H new ATOM 0 HD13 LEU A 148 -5.470 -11.452 -4.430 1.00 0.45 H new ATOM 0 HD21 LEU A 148 -4.064 -8.752 -4.652 1.00 0.57 H new ATOM 0 HD22 LEU A 148 -3.291 -10.330 -4.933 1.00 0.57 H new ATOM 0 HD23 LEU A 148 -3.212 -9.066 -6.183 1.00 0.57 H new ATOM 2040 N LEU A 149 -6.794 -9.676 -8.866 1.00 0.39 N ATOM 2041 CA LEU A 149 -7.696 -8.529 -9.162 1.00 0.37 C ATOM 2042 C LEU A 149 -9.060 -9.053 -9.608 1.00 0.34 C ATOM 2043 O LEU A 149 -10.078 -8.447 -9.350 1.00 0.32 O ATOM 2044 CB LEU A 149 -7.078 -7.685 -10.280 1.00 0.40 C ATOM 2045 CG LEU A 149 -7.926 -6.435 -10.522 1.00 0.34 C ATOM 2046 CD1 LEU A 149 -8.046 -5.637 -9.224 1.00 0.27 C ATOM 2047 CD2 LEU A 149 -7.254 -5.567 -11.589 1.00 0.39 C ATOM 0 H LEU A 149 -5.957 -9.724 -9.448 1.00 0.39 H new ATOM 0 HA LEU A 149 -7.823 -7.919 -8.268 1.00 0.37 H new ATOM 0 HB2 LEU A 149 -6.061 -7.398 -10.011 1.00 0.40 H new ATOM 0 HB3 LEU A 149 -7.012 -8.272 -11.196 1.00 0.40 H new ATOM 0 HG LEU A 149 -8.920 -6.730 -10.859 1.00 0.34 H new ATOM 0 HD11 LEU A 149 -8.650 -4.747 -9.399 1.00 0.27 H new ATOM 0 HD12 LEU A 149 -8.520 -6.254 -8.460 1.00 0.27 H new ATOM 0 HD13 LEU A 149 -7.053 -5.341 -8.886 1.00 0.27 H new ATOM 0 HD21 LEU A 149 -7.856 -4.675 -11.764 1.00 0.39 H new ATOM 0 HD22 LEU A 149 -6.261 -5.274 -11.247 1.00 0.39 H new ATOM 0 HD23 LEU A 149 -7.166 -6.133 -12.516 1.00 0.39 H new ATOM 2059 N THR A 150 -9.094 -10.180 -10.268 1.00 0.36 N ATOM 2060 CA THR A 150 -10.407 -10.730 -10.703 1.00 0.34 C ATOM 2061 C THR A 150 -11.175 -11.177 -9.451 1.00 0.25 C ATOM 2062 O THR A 150 -12.390 -11.194 -9.420 1.00 0.22 O ATOM 2063 CB THR A 150 -10.180 -11.893 -11.705 1.00 0.43 C ATOM 2064 OG1 THR A 150 -11.255 -11.921 -12.632 1.00 0.80 O ATOM 2065 CG2 THR A 150 -10.090 -13.258 -11.004 1.00 0.49 C ATOM 0 H THR A 150 -8.278 -10.737 -10.522 1.00 0.36 H new ATOM 0 HA THR A 150 -11.000 -9.977 -11.222 1.00 0.34 H new ATOM 0 HB THR A 150 -9.230 -11.715 -12.209 1.00 0.43 H new ATOM 0 HG1 THR A 150 -11.118 -12.652 -13.270 1.00 0.80 H new ATOM 0 HG21 THR A 150 -9.931 -14.039 -11.747 1.00 0.49 H new ATOM 0 HG22 THR A 150 -9.257 -13.252 -10.301 1.00 0.49 H new ATOM 0 HG23 THR A 150 -11.018 -13.453 -10.466 1.00 0.49 H new ATOM 2073 N LYS A 151 -10.457 -11.532 -8.416 1.00 0.30 N ATOM 2074 CA LYS A 151 -11.109 -11.974 -7.153 1.00 0.21 C ATOM 2075 C LYS A 151 -11.540 -10.751 -6.335 1.00 0.12 C ATOM 2076 O LYS A 151 -12.557 -10.775 -5.674 1.00 0.01 O ATOM 2077 CB LYS A 151 -10.125 -12.811 -6.334 1.00 0.25 C ATOM 2078 CG LYS A 151 -10.825 -13.343 -5.081 1.00 0.18 C ATOM 2079 CD LYS A 151 -9.796 -13.548 -3.968 1.00 0.21 C ATOM 2080 CE LYS A 151 -10.134 -12.639 -2.785 1.00 0.51 C ATOM 2081 NZ LYS A 151 -11.125 -13.318 -1.903 1.00 1.03 N ATOM 0 H LYS A 151 -9.437 -11.533 -8.395 1.00 0.30 H new ATOM 0 HA LYS A 151 -11.986 -12.574 -7.395 1.00 0.21 H new ATOM 0 HB2 LYS A 151 -9.750 -13.640 -6.934 1.00 0.25 H new ATOM 0 HB3 LYS A 151 -9.263 -12.206 -6.053 1.00 0.25 H new ATOM 0 HG2 LYS A 151 -11.593 -12.642 -4.756 1.00 0.18 H new ATOM 0 HG3 LYS A 151 -11.327 -14.284 -5.304 1.00 0.18 H new ATOM 0 HD2 LYS A 151 -9.792 -14.590 -3.650 1.00 0.21 H new ATOM 0 HD3 LYS A 151 -8.795 -13.324 -4.338 1.00 0.21 H new ATOM 0 HE2 LYS A 151 -9.230 -12.406 -2.222 1.00 0.51 H new ATOM 0 HE3 LYS A 151 -10.539 -11.693 -3.144 1.00 0.51 H new ATOM 0 HZ1 LYS A 151 -12.008 -12.768 -1.885 1.00 1.03 H new ATOM 0 HZ2 LYS A 151 -11.319 -14.272 -2.268 1.00 1.03 H new ATOM 0 HZ3 LYS A 151 -10.741 -13.388 -0.939 1.00 1.03 H new ATOM 2095 N LEU A 152 -10.794 -9.672 -6.378 1.00 0.23 N ATOM 2096 CA LEU A 152 -11.205 -8.470 -5.606 1.00 0.27 C ATOM 2097 C LEU A 152 -12.471 -7.928 -6.251 1.00 0.20 C ATOM 2098 O LEU A 152 -13.370 -7.447 -5.592 1.00 0.23 O ATOM 2099 CB LEU A 152 -10.117 -7.386 -5.662 1.00 0.43 C ATOM 2100 CG LEU A 152 -8.744 -7.972 -5.320 1.00 0.26 C ATOM 2101 CD1 LEU A 152 -7.657 -6.964 -5.699 1.00 0.47 C ATOM 2102 CD2 LEU A 152 -8.658 -8.257 -3.822 1.00 0.14 C ATOM 0 H LEU A 152 -9.929 -9.578 -6.910 1.00 0.23 H new ATOM 0 HA LEU A 152 -11.367 -8.740 -4.562 1.00 0.27 H new ATOM 0 HB2 LEU A 152 -10.090 -6.943 -6.658 1.00 0.43 H new ATOM 0 HB3 LEU A 152 -10.359 -6.585 -4.963 1.00 0.43 H new ATOM 0 HG LEU A 152 -8.603 -8.900 -5.874 1.00 0.26 H new ATOM 0 HD11 LEU A 152 -6.678 -7.377 -5.457 1.00 0.47 H new ATOM 0 HD12 LEU A 152 -7.710 -6.757 -6.768 1.00 0.47 H new ATOM 0 HD13 LEU A 152 -7.808 -6.039 -5.142 1.00 0.47 H new ATOM 0 HD21 LEU A 152 -7.679 -8.674 -3.587 1.00 0.14 H new ATOM 0 HD22 LEU A 152 -8.801 -7.330 -3.266 1.00 0.14 H new ATOM 0 HD23 LEU A 152 -9.433 -8.971 -3.542 1.00 0.14 H new ATOM 2114 N GLN A 153 -12.539 -8.008 -7.550 1.00 0.24 N ATOM 2115 CA GLN A 153 -13.734 -7.503 -8.268 1.00 0.21 C ATOM 2116 C GLN A 153 -14.814 -8.588 -8.301 1.00 0.18 C ATOM 2117 O GLN A 153 -15.976 -8.312 -8.525 1.00 0.19 O ATOM 2118 CB GLN A 153 -13.348 -7.120 -9.697 1.00 0.28 C ATOM 2119 CG GLN A 153 -12.780 -5.700 -9.710 1.00 0.29 C ATOM 2120 CD GLN A 153 -13.253 -4.972 -10.969 1.00 0.43 C ATOM 2121 OE1 GLN A 153 -14.052 -4.059 -10.894 1.00 0.68 O ATOM 2122 NE2 GLN A 153 -12.792 -5.342 -12.132 1.00 1.47 N ATOM 0 H GLN A 153 -11.812 -8.404 -8.146 1.00 0.24 H new ATOM 0 HA GLN A 153 -14.122 -6.626 -7.750 1.00 0.21 H new ATOM 0 HB2 GLN A 153 -12.610 -7.822 -10.086 1.00 0.28 H new ATOM 0 HB3 GLN A 153 -14.220 -7.180 -10.349 1.00 0.28 H new ATOM 0 HG2 GLN A 153 -13.104 -5.159 -8.821 1.00 0.29 H new ATOM 0 HG3 GLN A 153 -11.691 -5.732 -9.684 1.00 0.29 H new ATOM 0 HE21 GLN A 153 -12.122 -6.108 -12.195 1.00 1.47 H new ATOM 0 HE22 GLN A 153 -13.102 -4.865 -12.979 1.00 1.47 H new ATOM 2131 N ALA A 154 -14.444 -9.821 -8.074 1.00 0.16 N ATOM 2132 CA ALA A 154 -15.454 -10.916 -8.089 1.00 0.19 C ATOM 2133 C ALA A 154 -15.970 -11.152 -6.666 1.00 0.35 C ATOM 2134 O ALA A 154 -16.281 -12.263 -6.286 1.00 0.76 O ATOM 2135 CB ALA A 154 -14.809 -12.199 -8.618 1.00 0.22 C ATOM 0 H ALA A 154 -13.487 -10.115 -7.879 1.00 0.16 H new ATOM 0 HA ALA A 154 -16.285 -10.635 -8.736 1.00 0.19 H new ATOM 0 HB1 ALA A 154 -15.548 -13.000 -8.629 1.00 0.22 H new ATOM 0 HB2 ALA A 154 -14.441 -12.031 -9.630 1.00 0.22 H new ATOM 0 HB3 ALA A 154 -13.978 -12.481 -7.972 1.00 0.22 H new ATOM 2141 N GLN A 155 -16.065 -10.115 -5.877 1.00 0.12 N ATOM 2142 CA GLN A 155 -16.564 -10.280 -4.483 1.00 0.32 C ATOM 2143 C GLN A 155 -17.952 -9.651 -4.366 1.00 0.48 C ATOM 2144 O GLN A 155 -18.289 -8.732 -5.088 1.00 0.60 O ATOM 2145 CB GLN A 155 -15.613 -9.578 -3.509 1.00 0.36 C ATOM 2146 CG GLN A 155 -14.202 -10.140 -3.669 1.00 0.35 C ATOM 2147 CD GLN A 155 -13.650 -10.534 -2.296 1.00 0.81 C ATOM 2148 OE1 GLN A 155 -13.933 -11.607 -1.801 1.00 1.07 O ATOM 2149 NE2 GLN A 155 -12.867 -9.707 -1.658 1.00 1.38 N ATOM 0 H GLN A 155 -15.818 -9.161 -6.139 1.00 0.12 H new ATOM 0 HA GLN A 155 -16.616 -11.342 -4.241 1.00 0.32 H new ATOM 0 HB2 GLN A 155 -15.611 -8.505 -3.699 1.00 0.36 H new ATOM 0 HB3 GLN A 155 -15.957 -9.720 -2.484 1.00 0.36 H new ATOM 0 HG2 GLN A 155 -14.217 -11.007 -4.329 1.00 0.35 H new ATOM 0 HG3 GLN A 155 -13.554 -9.397 -4.134 1.00 0.35 H new ATOM 0 HE21 GLN A 155 -12.629 -8.806 -2.074 1.00 1.38 H new ATOM 0 HE22 GLN A 155 -12.493 -9.962 -0.744 1.00 1.38 H new ATOM 2158 N ASN A 156 -18.759 -10.128 -3.459 1.00 0.62 N ATOM 2159 CA ASN A 156 -20.120 -9.546 -3.296 1.00 0.78 C ATOM 2160 C ASN A 156 -19.995 -8.040 -3.064 1.00 0.78 C ATOM 2161 O ASN A 156 -18.909 -7.517 -2.917 1.00 0.72 O ATOM 2162 CB ASN A 156 -20.807 -10.190 -2.090 1.00 0.95 C ATOM 2163 CG ASN A 156 -21.619 -11.401 -2.552 1.00 0.76 C ATOM 2164 OD1 ASN A 156 -22.712 -11.256 -3.063 1.00 1.05 O ATOM 2165 ND2 ASN A 156 -21.127 -12.600 -2.395 1.00 1.04 N ATOM 0 H ASN A 156 -18.535 -10.895 -2.825 1.00 0.62 H new ATOM 0 HA ASN A 156 -20.710 -9.733 -4.193 1.00 0.78 H new ATOM 0 HB2 ASN A 156 -20.063 -10.497 -1.355 1.00 0.95 H new ATOM 0 HB3 ASN A 156 -21.459 -9.467 -1.600 1.00 0.95 H new ATOM 0 HD21 ASN A 156 -21.660 -13.414 -2.701 1.00 1.04 H new ATOM 0 HD22 ASN A 156 -20.210 -12.723 -1.966 1.00 1.04 H new ATOM 2172 N GLN A 157 -21.092 -7.336 -3.028 1.00 0.98 N ATOM 2173 CA GLN A 157 -21.019 -5.866 -2.800 1.00 1.00 C ATOM 2174 C GLN A 157 -20.426 -5.608 -1.416 1.00 0.96 C ATOM 2175 O GLN A 157 -19.794 -4.599 -1.174 1.00 0.90 O ATOM 2176 CB GLN A 157 -22.424 -5.268 -2.863 1.00 1.18 C ATOM 2177 CG GLN A 157 -22.333 -3.745 -2.764 1.00 1.13 C ATOM 2178 CD GLN A 157 -23.353 -3.110 -3.711 1.00 1.31 C ATOM 2179 OE1 GLN A 157 -22.987 -2.412 -4.636 1.00 0.84 O ATOM 2180 NE2 GLN A 157 -24.626 -3.323 -3.520 1.00 2.58 N ATOM 0 H GLN A 157 -22.032 -7.713 -3.146 1.00 0.98 H new ATOM 0 HA GLN A 157 -20.394 -5.407 -3.566 1.00 1.00 H new ATOM 0 HB2 GLN A 157 -22.911 -5.554 -3.795 1.00 1.18 H new ATOM 0 HB3 GLN A 157 -23.035 -5.660 -2.050 1.00 1.18 H new ATOM 0 HG2 GLN A 157 -22.523 -3.425 -1.740 1.00 1.13 H new ATOM 0 HG3 GLN A 157 -21.327 -3.413 -3.020 1.00 1.13 H new ATOM 0 HE21 GLN A 157 -24.934 -3.909 -2.744 1.00 2.58 H new ATOM 0 HE22 GLN A 157 -25.313 -2.904 -4.147 1.00 2.58 H new ATOM 2189 N TRP A 158 -20.635 -6.516 -0.506 1.00 1.01 N ATOM 2190 CA TRP A 158 -20.098 -6.342 0.872 1.00 1.02 C ATOM 2191 C TRP A 158 -18.568 -6.417 0.853 1.00 0.84 C ATOM 2192 O TRP A 158 -17.884 -5.500 1.265 1.00 0.84 O ATOM 2193 CB TRP A 158 -20.647 -7.455 1.765 1.00 1.15 C ATOM 2194 CG TRP A 158 -20.272 -7.186 3.185 1.00 1.14 C ATOM 2195 CD1 TRP A 158 -19.153 -7.640 3.793 1.00 1.30 C ATOM 2196 CD2 TRP A 158 -20.994 -6.411 4.185 1.00 1.03 C ATOM 2197 NE1 TRP A 158 -19.142 -7.195 5.102 1.00 1.23 N ATOM 2198 CE2 TRP A 158 -20.257 -6.433 5.392 1.00 1.08 C ATOM 2199 CE3 TRP A 158 -22.208 -5.700 4.162 1.00 0.96 C ATOM 2200 CZ2 TRP A 158 -20.705 -5.772 6.535 1.00 1.04 C ATOM 2201 CZ3 TRP A 158 -22.662 -5.032 5.311 1.00 1.01 C ATOM 2202 CH2 TRP A 158 -21.912 -5.068 6.495 1.00 1.03 C ATOM 0 H TRP A 158 -21.159 -7.378 -0.658 1.00 1.01 H new ATOM 0 HA TRP A 158 -20.402 -5.369 1.257 1.00 1.02 H new ATOM 0 HB2 TRP A 158 -21.731 -7.511 1.669 1.00 1.15 H new ATOM 0 HB3 TRP A 158 -20.248 -8.419 1.449 1.00 1.15 H new ATOM 0 HD1 TRP A 158 -18.391 -8.251 3.331 1.00 1.30 H new ATOM 0 HE1 TRP A 158 -18.401 -7.404 5.771 1.00 1.23 H new ATOM 0 HE3 TRP A 158 -22.794 -5.668 3.255 1.00 0.96 H new ATOM 0 HZ2 TRP A 158 -20.124 -5.804 7.445 1.00 1.04 H new ATOM 0 HZ3 TRP A 158 -23.594 -4.487 5.282 1.00 1.01 H new ATOM 0 HH2 TRP A 158 -22.266 -4.552 7.375 1.00 1.03 H new ATOM 2213 N LEU A 159 -18.028 -7.511 0.394 1.00 0.72 N ATOM 2214 CA LEU A 159 -16.545 -7.661 0.364 1.00 0.59 C ATOM 2215 C LEU A 159 -15.930 -6.660 -0.618 1.00 0.42 C ATOM 2216 O LEU A 159 -14.754 -6.358 -0.552 1.00 0.34 O ATOM 2217 CB LEU A 159 -16.189 -9.087 -0.058 1.00 0.61 C ATOM 2218 CG LEU A 159 -16.166 -9.990 1.179 1.00 0.97 C ATOM 2219 CD1 LEU A 159 -15.876 -11.432 0.760 1.00 1.55 C ATOM 2220 CD2 LEU A 159 -15.073 -9.510 2.137 1.00 1.23 C ATOM 0 H LEU A 159 -18.551 -8.311 0.037 1.00 0.72 H new ATOM 0 HA LEU A 159 -16.146 -7.463 1.359 1.00 0.59 H new ATOM 0 HB2 LEU A 159 -16.917 -9.458 -0.779 1.00 0.61 H new ATOM 0 HB3 LEU A 159 -15.217 -9.101 -0.551 1.00 0.61 H new ATOM 0 HG LEU A 159 -17.135 -9.947 1.676 1.00 0.97 H new ATOM 0 HD11 LEU A 159 -15.860 -12.071 1.643 1.00 1.55 H new ATOM 0 HD12 LEU A 159 -16.653 -11.776 0.077 1.00 1.55 H new ATOM 0 HD13 LEU A 159 -14.908 -11.478 0.261 1.00 1.55 H new ATOM 0 HD21 LEU A 159 -15.054 -10.151 3.018 1.00 1.23 H new ATOM 0 HD22 LEU A 159 -14.106 -9.553 1.636 1.00 1.23 H new ATOM 0 HD23 LEU A 159 -15.279 -8.483 2.439 1.00 1.23 H new ATOM 2232 N GLN A 160 -16.709 -6.134 -1.524 1.00 0.44 N ATOM 2233 CA GLN A 160 -16.153 -5.151 -2.495 1.00 0.38 C ATOM 2234 C GLN A 160 -15.959 -3.812 -1.789 1.00 0.42 C ATOM 2235 O GLN A 160 -14.941 -3.164 -1.930 1.00 0.40 O ATOM 2236 CB GLN A 160 -17.123 -4.977 -3.665 1.00 0.49 C ATOM 2237 CG GLN A 160 -16.677 -5.861 -4.832 1.00 1.00 C ATOM 2238 CD GLN A 160 -16.165 -4.983 -5.974 1.00 0.98 C ATOM 2239 OE1 GLN A 160 -15.102 -4.247 -5.792 1.00 1.05 O flip ATOM 2240 NE2 GLN A 160 -16.737 -4.966 -7.047 1.00 2.10 N flip ATOM 0 H GLN A 160 -17.702 -6.342 -1.633 1.00 0.44 H new ATOM 0 HA GLN A 160 -15.197 -5.511 -2.875 1.00 0.38 H new ATOM 0 HB2 GLN A 160 -18.133 -5.245 -3.357 1.00 0.49 H new ATOM 0 HB3 GLN A 160 -17.151 -3.933 -3.976 1.00 0.49 H new ATOM 0 HG2 GLN A 160 -15.893 -6.544 -4.505 1.00 1.00 H new ATOM 0 HG3 GLN A 160 -17.510 -6.474 -5.176 1.00 1.00 H new ATOM 0 HE21 GLN A 160 -17.568 -5.540 -7.191 1.00 2.10 H new ATOM 0 HE22 GLN A 160 -16.386 -4.378 -7.803 1.00 2.10 H new ATOM 2249 N ASP A 161 -16.925 -3.395 -1.020 1.00 0.47 N ATOM 2250 CA ASP A 161 -16.790 -2.103 -0.298 1.00 0.51 C ATOM 2251 C ASP A 161 -15.683 -2.231 0.750 1.00 0.40 C ATOM 2252 O ASP A 161 -15.029 -1.267 1.093 1.00 0.45 O ATOM 2253 CB ASP A 161 -18.112 -1.752 0.389 1.00 0.63 C ATOM 2254 CG ASP A 161 -17.968 -0.414 1.116 1.00 0.86 C ATOM 2255 OD1 ASP A 161 -17.195 -0.354 2.058 1.00 1.97 O ATOM 2256 OD2 ASP A 161 -18.631 0.530 0.717 1.00 0.37 O ATOM 0 H ASP A 161 -17.801 -3.893 -0.861 1.00 0.47 H new ATOM 0 HA ASP A 161 -16.538 -1.313 -1.005 1.00 0.51 H new ATOM 0 HB2 ASP A 161 -18.913 -1.693 -0.348 1.00 0.63 H new ATOM 0 HB3 ASP A 161 -18.386 -2.535 1.096 1.00 0.63 H new ATOM 2261 N MET A 162 -15.463 -3.416 1.260 1.00 0.32 N ATOM 2262 CA MET A 162 -14.392 -3.590 2.281 1.00 0.26 C ATOM 2263 C MET A 162 -13.027 -3.597 1.580 1.00 0.14 C ATOM 2264 O MET A 162 -12.024 -3.238 2.154 1.00 0.21 O ATOM 2265 CB MET A 162 -14.642 -4.893 3.086 1.00 0.40 C ATOM 2266 CG MET A 162 -13.932 -6.121 2.475 1.00 0.75 C ATOM 2267 SD MET A 162 -12.565 -6.631 3.554 1.00 0.75 S ATOM 2268 CE MET A 162 -11.234 -5.727 2.725 1.00 0.30 C ATOM 0 H MET A 162 -15.975 -4.263 1.015 1.00 0.32 H new ATOM 0 HA MET A 162 -14.403 -2.762 2.990 1.00 0.26 H new ATOM 0 HB2 MET A 162 -14.298 -4.753 4.111 1.00 0.40 H new ATOM 0 HB3 MET A 162 -15.714 -5.085 3.133 1.00 0.40 H new ATOM 0 HG2 MET A 162 -14.640 -6.941 2.355 1.00 0.75 H new ATOM 0 HG3 MET A 162 -13.554 -5.879 1.482 1.00 0.75 H new ATOM 0 HE1 MET A 162 -10.284 -6.229 2.908 1.00 0.30 H new ATOM 0 HE2 MET A 162 -11.428 -5.697 1.653 1.00 0.30 H new ATOM 0 HE3 MET A 162 -11.188 -4.710 3.114 1.00 0.30 H new ATOM 2278 N THR A 163 -12.987 -4.005 0.339 1.00 0.09 N ATOM 2279 CA THR A 163 -11.689 -4.034 -0.397 1.00 0.18 C ATOM 2280 C THR A 163 -11.020 -2.659 -0.312 1.00 0.18 C ATOM 2281 O THR A 163 -9.845 -2.549 -0.020 1.00 0.23 O ATOM 2282 CB THR A 163 -11.943 -4.405 -1.860 1.00 0.30 C ATOM 2283 OG1 THR A 163 -12.696 -5.609 -1.913 1.00 0.37 O ATOM 2284 CG2 THR A 163 -10.606 -4.609 -2.574 1.00 0.33 C ATOM 0 H THR A 163 -13.796 -4.319 -0.196 1.00 0.09 H new ATOM 0 HA THR A 163 -11.030 -4.777 0.051 1.00 0.18 H new ATOM 0 HB THR A 163 -12.497 -3.604 -2.350 1.00 0.30 H new ATOM 0 HG1 THR A 163 -13.594 -5.449 -1.554 1.00 0.37 H new ATOM 0 HG21 THR A 163 -10.787 -4.873 -3.616 1.00 0.33 H new ATOM 0 HG22 THR A 163 -10.025 -3.688 -2.529 1.00 0.33 H new ATOM 0 HG23 THR A 163 -10.052 -5.412 -2.087 1.00 0.33 H new ATOM 2292 N THR A 164 -11.756 -1.609 -0.549 1.00 0.31 N ATOM 2293 CA THR A 164 -11.156 -0.246 -0.469 1.00 0.38 C ATOM 2294 C THR A 164 -10.679 0.010 0.965 1.00 0.27 C ATOM 2295 O THR A 164 -9.722 0.722 1.196 1.00 0.31 O ATOM 2296 CB THR A 164 -12.210 0.798 -0.850 1.00 0.56 C ATOM 2297 OG1 THR A 164 -12.953 0.333 -1.969 1.00 0.80 O ATOM 2298 CG2 THR A 164 -11.524 2.118 -1.203 1.00 1.05 C ATOM 0 H THR A 164 -12.746 -1.635 -0.794 1.00 0.31 H new ATOM 0 HA THR A 164 -10.312 -0.175 -1.155 1.00 0.38 H new ATOM 0 HB THR A 164 -12.883 0.957 -0.007 1.00 0.56 H new ATOM 0 HG1 THR A 164 -13.629 0.999 -2.213 1.00 0.80 H new ATOM 0 HG21 THR A 164 -12.277 2.858 -1.474 1.00 1.05 H new ATOM 0 HG22 THR A 164 -10.957 2.475 -0.343 1.00 1.05 H new ATOM 0 HG23 THR A 164 -10.848 1.963 -2.044 1.00 1.05 H new ATOM 2306 N HIS A 165 -11.347 -0.563 1.926 1.00 0.30 N ATOM 2307 CA HIS A 165 -10.952 -0.360 3.349 1.00 0.42 C ATOM 2308 C HIS A 165 -9.585 -1.014 3.616 1.00 0.39 C ATOM 2309 O HIS A 165 -8.611 -0.341 3.876 1.00 0.41 O ATOM 2310 CB HIS A 165 -12.028 -0.981 4.257 1.00 0.54 C ATOM 2311 CG HIS A 165 -11.558 -1.017 5.688 1.00 0.80 C ATOM 2312 ND1 HIS A 165 -11.453 -2.203 6.397 1.00 0.87 N ATOM 2313 CD2 HIS A 165 -11.161 -0.027 6.553 1.00 1.04 C ATOM 2314 CE1 HIS A 165 -11.011 -1.901 7.630 1.00 1.11 C ATOM 2315 NE2 HIS A 165 -10.817 -0.588 7.780 1.00 1.23 N ATOM 0 H HIS A 165 -12.156 -1.168 1.786 1.00 0.30 H new ATOM 0 HA HIS A 165 -10.868 0.706 3.560 1.00 0.42 H new ATOM 0 HB2 HIS A 165 -12.949 -0.403 4.186 1.00 0.54 H new ATOM 0 HB3 HIS A 165 -12.258 -1.991 3.919 1.00 0.54 H new ATOM 0 HD2 HIS A 165 -11.122 1.026 6.317 1.00 1.04 H new ATOM 0 HE1 HIS A 165 -10.834 -2.632 8.406 1.00 1.11 H new ATOM 0 HE2 HIS A 165 -10.488 -0.101 8.614 1.00 1.23 H new ATOM 2323 N LEU A 166 -9.515 -2.318 3.576 1.00 0.39 N ATOM 2324 CA LEU A 166 -8.222 -3.020 3.850 1.00 0.47 C ATOM 2325 C LEU A 166 -7.084 -2.402 3.042 1.00 0.37 C ATOM 2326 O LEU A 166 -5.986 -2.244 3.540 1.00 0.40 O ATOM 2327 CB LEU A 166 -8.343 -4.494 3.473 1.00 0.56 C ATOM 2328 CG LEU A 166 -8.603 -5.334 4.729 1.00 0.86 C ATOM 2329 CD1 LEU A 166 -7.423 -5.190 5.691 1.00 0.50 C ATOM 2330 CD2 LEU A 166 -9.886 -4.860 5.422 1.00 1.73 C ATOM 0 H LEU A 166 -10.301 -2.932 3.364 1.00 0.39 H new ATOM 0 HA LEU A 166 -8.003 -2.918 4.913 1.00 0.47 H new ATOM 0 HB2 LEU A 166 -9.155 -4.630 2.759 1.00 0.56 H new ATOM 0 HB3 LEU A 166 -7.429 -4.829 2.983 1.00 0.56 H new ATOM 0 HG LEU A 166 -8.718 -6.379 4.441 1.00 0.86 H new ATOM 0 HD11 LEU A 166 -7.607 -5.787 6.584 1.00 0.50 H new ATOM 0 HD12 LEU A 166 -6.512 -5.537 5.204 1.00 0.50 H new ATOM 0 HD13 LEU A 166 -7.308 -4.143 5.972 1.00 0.50 H new ATOM 0 HD21 LEU A 166 -10.062 -5.463 6.313 1.00 1.73 H new ATOM 0 HD22 LEU A 166 -9.780 -3.813 5.707 1.00 1.73 H new ATOM 0 HD23 LEU A 166 -10.729 -4.967 4.739 1.00 1.73 H new ATOM 2342 N ILE A 167 -7.312 -2.065 1.799 1.00 0.26 N ATOM 2343 CA ILE A 167 -6.206 -1.479 1.001 1.00 0.19 C ATOM 2344 C ILE A 167 -5.738 -0.191 1.681 1.00 0.15 C ATOM 2345 O ILE A 167 -4.566 -0.001 1.941 1.00 0.16 O ATOM 2346 CB ILE A 167 -6.675 -1.171 -0.423 1.00 0.15 C ATOM 2347 CG1 ILE A 167 -7.059 -2.478 -1.120 1.00 0.19 C ATOM 2348 CG2 ILE A 167 -5.536 -0.493 -1.200 1.00 0.20 C ATOM 2349 CD1 ILE A 167 -7.673 -2.169 -2.487 1.00 0.20 C ATOM 0 H ILE A 167 -8.202 -2.170 1.312 1.00 0.26 H new ATOM 0 HA ILE A 167 -5.385 -2.193 0.944 1.00 0.19 H new ATOM 0 HB ILE A 167 -7.538 -0.506 -0.390 1.00 0.15 H new ATOM 0 HG12 ILE A 167 -6.179 -3.110 -1.240 1.00 0.19 H new ATOM 0 HG13 ILE A 167 -7.770 -3.033 -0.508 1.00 0.19 H new ATOM 0 HG21 ILE A 167 -5.868 -0.273 -2.215 1.00 0.20 H new ATOM 0 HG22 ILE A 167 -5.257 0.435 -0.700 1.00 0.20 H new ATOM 0 HG23 ILE A 167 -4.674 -1.159 -1.237 1.00 0.20 H new ATOM 0 HD11 ILE A 167 -7.946 -3.101 -2.982 1.00 0.20 H new ATOM 0 HD12 ILE A 167 -8.563 -1.554 -2.355 1.00 0.20 H new ATOM 0 HD13 ILE A 167 -6.948 -1.632 -3.099 1.00 0.20 H new ATOM 2361 N LEU A 168 -6.652 0.690 1.976 1.00 0.17 N ATOM 2362 CA LEU A 168 -6.274 1.966 2.648 1.00 0.20 C ATOM 2363 C LEU A 168 -5.805 1.679 4.081 1.00 0.25 C ATOM 2364 O LEU A 168 -5.249 2.535 4.741 1.00 0.31 O ATOM 2365 CB LEU A 168 -7.487 2.897 2.691 1.00 0.26 C ATOM 2366 CG LEU A 168 -8.073 3.048 1.285 1.00 0.33 C ATOM 2367 CD1 LEU A 168 -9.525 3.518 1.386 1.00 0.52 C ATOM 2368 CD2 LEU A 168 -7.258 4.077 0.500 1.00 0.35 C ATOM 0 H LEU A 168 -7.647 0.582 1.781 1.00 0.17 H new ATOM 0 HA LEU A 168 -5.466 2.440 2.091 1.00 0.20 H new ATOM 0 HB2 LEU A 168 -8.241 2.496 3.368 1.00 0.26 H new ATOM 0 HB3 LEU A 168 -7.195 3.872 3.080 1.00 0.26 H new ATOM 0 HG LEU A 168 -8.036 2.087 0.771 1.00 0.33 H new ATOM 0 HD11 LEU A 168 -9.943 3.626 0.385 1.00 0.52 H new ATOM 0 HD12 LEU A 168 -10.107 2.785 1.945 1.00 0.52 H new ATOM 0 HD13 LEU A 168 -9.562 4.479 1.900 1.00 0.52 H new ATOM 0 HD21 LEU A 168 -7.675 4.185 -0.501 1.00 0.35 H new ATOM 0 HD22 LEU A 168 -7.294 5.038 1.013 1.00 0.35 H new ATOM 0 HD23 LEU A 168 -6.223 3.743 0.428 1.00 0.35 H new ATOM 2380 N ARG A 169 -6.025 0.486 4.569 1.00 0.33 N ATOM 2381 CA ARG A 169 -5.593 0.155 5.956 1.00 0.38 C ATOM 2382 C ARG A 169 -4.103 -0.179 5.958 1.00 0.28 C ATOM 2383 O ARG A 169 -3.375 0.195 6.857 1.00 0.21 O ATOM 2384 CB ARG A 169 -6.385 -1.054 6.466 1.00 0.52 C ATOM 2385 CG ARG A 169 -7.085 -0.697 7.780 1.00 0.56 C ATOM 2386 CD ARG A 169 -6.493 -1.530 8.920 1.00 0.58 C ATOM 2387 NE ARG A 169 -7.422 -1.508 10.086 1.00 0.72 N ATOM 2388 CZ ARG A 169 -7.108 -2.139 11.186 1.00 0.83 C ATOM 2389 NH1 ARG A 169 -6.329 -3.185 11.140 1.00 1.62 N ATOM 2390 NH2 ARG A 169 -7.574 -1.723 12.332 1.00 1.18 N ATOM 0 H ARG A 169 -6.485 -0.272 4.066 1.00 0.33 H new ATOM 0 HA ARG A 169 -5.777 1.010 6.606 1.00 0.38 H new ATOM 0 HB2 ARG A 169 -7.121 -1.359 5.722 1.00 0.52 H new ATOM 0 HB3 ARG A 169 -5.716 -1.901 6.618 1.00 0.52 H new ATOM 0 HG2 ARG A 169 -6.964 0.365 7.991 1.00 0.56 H new ATOM 0 HG3 ARG A 169 -8.155 -0.885 7.696 1.00 0.56 H new ATOM 0 HD2 ARG A 169 -6.332 -2.556 8.589 1.00 0.58 H new ATOM 0 HD3 ARG A 169 -5.520 -1.132 9.209 1.00 0.58 H new ATOM 0 HE ARG A 169 -8.304 -0.999 10.025 1.00 0.72 H new ATOM 0 HH11 ARG A 169 -5.965 -3.511 10.245 1.00 1.62 H new ATOM 0 HH12 ARG A 169 -6.084 -3.677 11.999 1.00 1.62 H new ATOM 0 HH21 ARG A 169 -8.183 -0.906 12.368 1.00 1.18 H new ATOM 0 HH22 ARG A 169 -7.329 -2.215 13.191 1.00 1.18 H new ATOM 2404 N SER A 170 -3.636 -0.870 4.954 1.00 0.29 N ATOM 2405 CA SER A 170 -2.198 -1.208 4.904 1.00 0.23 C ATOM 2406 C SER A 170 -1.436 0.042 4.503 1.00 0.13 C ATOM 2407 O SER A 170 -0.471 0.414 5.120 1.00 0.09 O ATOM 2408 CB SER A 170 -1.963 -2.309 3.870 1.00 0.30 C ATOM 2409 OG SER A 170 -1.294 -3.398 4.491 1.00 0.60 O ATOM 0 H SER A 170 -4.192 -1.212 4.170 1.00 0.29 H new ATOM 0 HA SER A 170 -1.858 -1.564 5.876 1.00 0.23 H new ATOM 0 HB2 SER A 170 -2.913 -2.641 3.452 1.00 0.30 H new ATOM 0 HB3 SER A 170 -1.367 -1.925 3.042 1.00 0.30 H new ATOM 0 HG SER A 170 -0.338 -3.358 4.280 1.00 0.60 H new ATOM 2415 N PHE A 171 -1.872 0.710 3.477 1.00 0.13 N ATOM 2416 CA PHE A 171 -1.167 1.949 3.051 1.00 0.11 C ATOM 2417 C PHE A 171 -0.951 2.863 4.260 1.00 0.11 C ATOM 2418 O PHE A 171 0.122 3.383 4.468 1.00 0.15 O ATOM 2419 CB PHE A 171 -1.994 2.659 1.984 1.00 0.17 C ATOM 2420 CG PHE A 171 -1.638 2.064 0.648 1.00 0.14 C ATOM 2421 CD1 PHE A 171 -1.999 0.744 0.351 1.00 0.54 C ATOM 2422 CD2 PHE A 171 -0.926 2.822 -0.283 1.00 0.33 C ATOM 2423 CE1 PHE A 171 -1.643 0.182 -0.879 1.00 0.50 C ATOM 2424 CE2 PHE A 171 -0.574 2.263 -1.516 1.00 0.37 C ATOM 2425 CZ PHE A 171 -0.930 0.944 -1.814 1.00 0.09 C ATOM 0 H PHE A 171 -2.684 0.454 2.915 1.00 0.13 H new ATOM 0 HA PHE A 171 -0.194 1.693 2.632 1.00 0.11 H new ATOM 0 HB2 PHE A 171 -3.059 2.538 2.184 1.00 0.17 H new ATOM 0 HB3 PHE A 171 -1.788 3.729 1.992 1.00 0.17 H new ATOM 0 HD1 PHE A 171 -2.552 0.160 1.072 1.00 0.54 H new ATOM 0 HD2 PHE A 171 -0.647 3.839 -0.052 1.00 0.33 H new ATOM 0 HE1 PHE A 171 -1.917 -0.837 -1.108 1.00 0.50 H new ATOM 0 HE2 PHE A 171 -0.027 2.851 -2.238 1.00 0.37 H new ATOM 0 HZ PHE A 171 -0.655 0.512 -2.765 1.00 0.09 H new ATOM 2435 N LYS A 172 -1.954 3.035 5.073 1.00 0.13 N ATOM 2436 CA LYS A 172 -1.789 3.895 6.276 1.00 0.14 C ATOM 2437 C LYS A 172 -0.672 3.325 7.163 1.00 0.10 C ATOM 2438 O LYS A 172 0.361 3.941 7.350 1.00 0.10 O ATOM 2439 CB LYS A 172 -3.100 3.919 7.067 1.00 0.21 C ATOM 2440 CG LYS A 172 -4.061 4.927 6.433 1.00 1.03 C ATOM 2441 CD LYS A 172 -3.634 6.346 6.812 1.00 0.23 C ATOM 2442 CE LYS A 172 -3.769 6.534 8.324 1.00 1.36 C ATOM 2443 NZ LYS A 172 -2.433 6.845 8.909 1.00 2.71 N ATOM 0 H LYS A 172 -2.878 2.619 4.957 1.00 0.13 H new ATOM 0 HA LYS A 172 -1.529 4.907 5.966 1.00 0.14 H new ATOM 0 HB2 LYS A 172 -3.550 2.926 7.075 1.00 0.21 H new ATOM 0 HB3 LYS A 172 -2.906 4.189 8.105 1.00 0.21 H new ATOM 0 HG2 LYS A 172 -4.061 4.813 5.349 1.00 1.03 H new ATOM 0 HG3 LYS A 172 -5.079 4.739 6.774 1.00 1.03 H new ATOM 0 HD2 LYS A 172 -2.603 6.521 6.504 1.00 0.23 H new ATOM 0 HD3 LYS A 172 -4.252 7.075 6.288 1.00 0.23 H new ATOM 0 HE2 LYS A 172 -4.469 7.341 8.539 1.00 1.36 H new ATOM 0 HE3 LYS A 172 -4.175 5.630 8.778 1.00 1.36 H new ATOM 0 HZ1 LYS A 172 -2.525 6.973 9.937 1.00 2.71 H new ATOM 0 HZ2 LYS A 172 -1.778 6.061 8.715 1.00 2.71 H new ATOM 0 HZ3 LYS A 172 -2.063 7.719 8.484 1.00 2.71 H new ATOM 2457 N GLU A 173 -0.874 2.155 7.714 1.00 0.13 N ATOM 2458 CA GLU A 173 0.172 1.552 8.596 1.00 0.16 C ATOM 2459 C GLU A 173 1.377 1.111 7.759 1.00 0.18 C ATOM 2460 O GLU A 173 2.446 1.668 7.869 1.00 0.20 O ATOM 2461 CB GLU A 173 -0.411 0.338 9.323 1.00 0.22 C ATOM 2462 CG GLU A 173 -1.416 0.805 10.377 1.00 0.90 C ATOM 2463 CD GLU A 173 -1.065 0.184 11.731 1.00 0.39 C ATOM 2464 OE1 GLU A 173 0.099 0.227 12.096 1.00 1.34 O ATOM 2465 OE2 GLU A 173 -1.964 -0.322 12.380 1.00 1.16 O ATOM 0 H GLU A 173 -1.716 1.592 7.592 1.00 0.13 H new ATOM 0 HA GLU A 173 0.495 2.297 9.323 1.00 0.16 H new ATOM 0 HB2 GLU A 173 -0.899 -0.326 8.610 1.00 0.22 H new ATOM 0 HB3 GLU A 173 0.388 -0.234 9.796 1.00 0.22 H new ATOM 0 HG2 GLU A 173 -1.403 1.892 10.450 1.00 0.90 H new ATOM 0 HG3 GLU A 173 -2.426 0.517 10.084 1.00 0.90 H new ATOM 2472 N PHE A 174 1.198 0.103 6.938 1.00 0.19 N ATOM 2473 CA PHE A 174 2.306 -0.429 6.068 1.00 0.22 C ATOM 2474 C PHE A 174 3.265 0.686 5.614 1.00 0.21 C ATOM 2475 O PHE A 174 4.445 0.649 5.907 1.00 0.25 O ATOM 2476 CB PHE A 174 1.686 -1.089 4.831 1.00 0.23 C ATOM 2477 CG PHE A 174 2.727 -1.896 4.101 1.00 0.59 C ATOM 2478 CD1 PHE A 174 3.231 -3.068 4.672 1.00 0.80 C ATOM 2479 CD2 PHE A 174 3.183 -1.471 2.850 1.00 2.26 C ATOM 2480 CE1 PHE A 174 4.198 -3.818 3.989 1.00 0.48 C ATOM 2481 CE2 PHE A 174 4.148 -2.217 2.166 1.00 2.61 C ATOM 2482 CZ PHE A 174 4.657 -3.391 2.736 1.00 1.28 C ATOM 0 H PHE A 174 0.310 -0.387 6.830 1.00 0.19 H new ATOM 0 HA PHE A 174 2.881 -1.149 6.651 1.00 0.22 H new ATOM 0 HB2 PHE A 174 0.858 -1.732 5.129 1.00 0.23 H new ATOM 0 HB3 PHE A 174 1.275 -0.326 4.169 1.00 0.23 H new ATOM 0 HD1 PHE A 174 2.876 -3.395 5.638 1.00 0.80 H new ATOM 0 HD2 PHE A 174 2.790 -0.566 2.411 1.00 2.26 H new ATOM 0 HE1 PHE A 174 4.589 -4.724 4.428 1.00 0.48 H new ATOM 0 HE2 PHE A 174 4.500 -1.888 1.199 1.00 2.61 H new ATOM 0 HZ PHE A 174 5.403 -3.967 2.209 1.00 1.28 H new ATOM 2492 N LEU A 175 2.782 1.677 4.904 1.00 0.17 N ATOM 2493 CA LEU A 175 3.703 2.763 4.454 1.00 0.18 C ATOM 2494 C LEU A 175 4.299 3.459 5.682 1.00 0.17 C ATOM 2495 O LEU A 175 5.469 3.770 5.717 1.00 0.18 O ATOM 2496 CB LEU A 175 2.946 3.788 3.604 1.00 0.17 C ATOM 2497 CG LEU A 175 2.523 3.156 2.273 1.00 0.16 C ATOM 2498 CD1 LEU A 175 1.292 3.882 1.728 1.00 0.13 C ATOM 2499 CD2 LEU A 175 3.662 3.281 1.256 1.00 0.26 C ATOM 0 H LEU A 175 1.807 1.779 4.621 1.00 0.17 H new ATOM 0 HA LEU A 175 4.499 2.326 3.850 1.00 0.18 H new ATOM 0 HB2 LEU A 175 2.067 4.142 4.143 1.00 0.17 H new ATOM 0 HB3 LEU A 175 3.578 4.657 3.419 1.00 0.17 H new ATOM 0 HG LEU A 175 2.290 2.104 2.438 1.00 0.16 H new ATOM 0 HD11 LEU A 175 0.993 3.431 0.782 1.00 0.13 H new ATOM 0 HD12 LEU A 175 0.474 3.799 2.444 1.00 0.13 H new ATOM 0 HD13 LEU A 175 1.530 4.934 1.569 1.00 0.13 H new ATOM 0 HD21 LEU A 175 3.357 2.831 0.311 1.00 0.26 H new ATOM 0 HD22 LEU A 175 3.894 4.334 1.098 1.00 0.26 H new ATOM 0 HD23 LEU A 175 4.546 2.767 1.635 1.00 0.26 H new ATOM 2511 N GLN A 176 3.503 3.705 6.693 1.00 0.15 N ATOM 2512 CA GLN A 176 4.032 4.379 7.919 1.00 0.14 C ATOM 2513 C GLN A 176 5.328 3.697 8.384 1.00 0.22 C ATOM 2514 O GLN A 176 6.377 4.309 8.438 1.00 0.45 O ATOM 2515 CB GLN A 176 2.989 4.289 9.036 1.00 0.08 C ATOM 2516 CG GLN A 176 2.479 5.690 9.381 1.00 0.17 C ATOM 2517 CD GLN A 176 1.809 5.662 10.755 1.00 0.47 C ATOM 2518 OE1 GLN A 176 2.291 5.019 11.666 1.00 1.26 O ATOM 2519 NE2 GLN A 176 0.709 6.338 10.946 1.00 1.32 N ATOM 0 H GLN A 176 2.511 3.469 6.722 1.00 0.15 H new ATOM 0 HA GLN A 176 4.242 5.423 7.686 1.00 0.14 H new ATOM 0 HB2 GLN A 176 2.159 3.657 8.721 1.00 0.08 H new ATOM 0 HB3 GLN A 176 3.427 3.824 9.919 1.00 0.08 H new ATOM 0 HG2 GLN A 176 3.306 6.400 9.382 1.00 0.17 H new ATOM 0 HG3 GLN A 176 1.770 6.027 8.625 1.00 0.17 H new ATOM 0 HE21 GLN A 176 0.303 6.878 10.182 1.00 1.32 H new ATOM 0 HE22 GLN A 176 0.255 6.326 11.859 1.00 1.32 H new ATOM 2528 N SER A 177 5.262 2.436 8.719 1.00 0.23 N ATOM 2529 CA SER A 177 6.484 1.719 9.180 1.00 0.29 C ATOM 2530 C SER A 177 7.575 1.831 8.116 1.00 0.24 C ATOM 2531 O SER A 177 8.751 1.804 8.416 1.00 0.22 O ATOM 2532 CB SER A 177 6.152 0.245 9.416 1.00 0.36 C ATOM 2533 OG SER A 177 6.011 0.012 10.812 1.00 1.17 O ATOM 0 H SER A 177 4.413 1.872 8.693 1.00 0.23 H new ATOM 0 HA SER A 177 6.837 2.166 10.109 1.00 0.29 H new ATOM 0 HB2 SER A 177 5.231 -0.020 8.897 1.00 0.36 H new ATOM 0 HB3 SER A 177 6.941 -0.387 9.008 1.00 0.36 H new ATOM 0 HG SER A 177 5.511 -0.818 10.956 1.00 1.17 H new ATOM 2539 N SER A 178 7.196 1.949 6.873 1.00 0.24 N ATOM 2540 CA SER A 178 8.217 2.060 5.791 1.00 0.22 C ATOM 2541 C SER A 178 9.029 3.349 5.976 1.00 0.23 C ATOM 2542 O SER A 178 10.233 3.363 5.812 1.00 0.17 O ATOM 2543 CB SER A 178 7.516 2.078 4.428 1.00 0.24 C ATOM 2544 OG SER A 178 7.199 3.417 4.067 1.00 1.68 O ATOM 0 H SER A 178 6.226 1.973 6.559 1.00 0.24 H new ATOM 0 HA SER A 178 8.891 1.205 5.839 1.00 0.22 H new ATOM 0 HB2 SER A 178 8.160 1.631 3.671 1.00 0.24 H new ATOM 0 HB3 SER A 178 6.607 1.478 4.468 1.00 0.24 H new ATOM 0 HG SER A 178 6.255 3.593 4.260 1.00 1.68 H new ATOM 2550 N LEU A 179 8.380 4.428 6.318 1.00 0.31 N ATOM 2551 CA LEU A 179 9.108 5.715 6.515 1.00 0.35 C ATOM 2552 C LEU A 179 10.035 5.599 7.731 1.00 0.39 C ATOM 2553 O LEU A 179 11.186 5.985 7.686 1.00 0.43 O ATOM 2554 CB LEU A 179 8.097 6.837 6.765 1.00 0.35 C ATOM 2555 CG LEU A 179 7.403 7.209 5.454 1.00 0.53 C ATOM 2556 CD1 LEU A 179 6.192 6.297 5.241 1.00 0.81 C ATOM 2557 CD2 LEU A 179 6.936 8.664 5.523 1.00 0.70 C ATOM 0 H LEU A 179 7.372 4.474 6.470 1.00 0.31 H new ATOM 0 HA LEU A 179 9.696 5.937 5.624 1.00 0.35 H new ATOM 0 HB2 LEU A 179 7.359 6.517 7.500 1.00 0.35 H new ATOM 0 HB3 LEU A 179 8.603 7.709 7.180 1.00 0.35 H new ATOM 0 HG LEU A 179 8.101 7.087 4.625 1.00 0.53 H new ATOM 0 HD11 LEU A 179 5.697 6.562 4.307 1.00 0.81 H new ATOM 0 HD12 LEU A 179 6.522 5.259 5.196 1.00 0.81 H new ATOM 0 HD13 LEU A 179 5.494 6.420 6.069 1.00 0.81 H new ATOM 0 HD21 LEU A 179 6.441 8.932 4.590 1.00 0.70 H new ATOM 0 HD22 LEU A 179 6.238 8.783 6.351 1.00 0.70 H new ATOM 0 HD23 LEU A 179 7.796 9.315 5.677 1.00 0.70 H new ATOM 2569 N ARG A 180 9.534 5.082 8.821 1.00 0.39 N ATOM 2570 CA ARG A 180 10.373 4.952 10.049 1.00 0.43 C ATOM 2571 C ARG A 180 11.442 3.871 9.854 1.00 0.34 C ATOM 2572 O ARG A 180 12.415 3.812 10.581 1.00 0.26 O ATOM 2573 CB ARG A 180 9.482 4.570 11.233 1.00 0.51 C ATOM 2574 CG ARG A 180 8.448 5.672 11.475 1.00 1.30 C ATOM 2575 CD ARG A 180 7.357 5.150 12.411 1.00 1.39 C ATOM 2576 NE ARG A 180 7.889 5.077 13.802 1.00 0.36 N ATOM 2577 CZ ARG A 180 7.171 5.515 14.799 1.00 0.75 C ATOM 2578 NH1 ARG A 180 6.548 6.659 14.702 1.00 1.77 N ATOM 2579 NH2 ARG A 180 7.076 4.812 15.893 1.00 1.13 N ATOM 0 H ARG A 180 8.577 4.743 8.915 1.00 0.39 H new ATOM 0 HA ARG A 180 10.864 5.906 10.242 1.00 0.43 H new ATOM 0 HB2 ARG A 180 8.979 3.624 11.032 1.00 0.51 H new ATOM 0 HB3 ARG A 180 10.090 4.425 12.126 1.00 0.51 H new ATOM 0 HG2 ARG A 180 8.929 6.547 11.912 1.00 1.30 H new ATOM 0 HG3 ARG A 180 8.010 5.988 10.529 1.00 1.30 H new ATOM 0 HD2 ARG A 180 6.488 5.807 12.377 1.00 1.39 H new ATOM 0 HD3 ARG A 180 7.024 4.164 12.085 1.00 1.39 H new ATOM 0 HE ARG A 180 8.815 4.684 13.974 1.00 0.36 H new ATOM 0 HH11 ARG A 180 6.623 7.210 13.847 1.00 1.77 H new ATOM 0 HH12 ARG A 180 5.986 7.002 15.482 1.00 1.77 H new ATOM 0 HH21 ARG A 180 7.563 3.919 15.969 1.00 1.13 H new ATOM 0 HH22 ARG A 180 6.514 5.155 16.672 1.00 1.13 H new ATOM 2593 N ALA A 181 11.277 3.017 8.883 1.00 0.35 N ATOM 2594 CA ALA A 181 12.290 1.950 8.659 1.00 0.28 C ATOM 2595 C ALA A 181 13.431 2.520 7.822 1.00 0.25 C ATOM 2596 O ALA A 181 14.581 2.170 7.998 1.00 0.25 O ATOM 2597 CB ALA A 181 11.645 0.776 7.917 1.00 0.31 C ATOM 0 H ALA A 181 10.487 3.012 8.237 1.00 0.35 H new ATOM 0 HA ALA A 181 12.674 1.599 9.617 1.00 0.28 H new ATOM 0 HB1 ALA A 181 12.389 -0.004 7.754 1.00 0.31 H new ATOM 0 HB2 ALA A 181 10.824 0.376 8.512 1.00 0.31 H new ATOM 0 HB3 ALA A 181 11.263 1.119 6.956 1.00 0.31 H new ATOM 2603 N LEU A 182 13.121 3.405 6.918 1.00 0.28 N ATOM 2604 CA LEU A 182 14.187 4.007 6.077 1.00 0.29 C ATOM 2605 C LEU A 182 14.970 5.013 6.918 1.00 0.32 C ATOM 2606 O LEU A 182 16.145 5.241 6.704 1.00 0.34 O ATOM 2607 CB LEU A 182 13.556 4.715 4.880 1.00 0.37 C ATOM 2608 CG LEU A 182 13.655 3.812 3.653 1.00 0.47 C ATOM 2609 CD1 LEU A 182 12.785 2.571 3.864 1.00 0.94 C ATOM 2610 CD2 LEU A 182 13.173 4.573 2.417 1.00 0.71 C ATOM 0 H LEU A 182 12.176 3.737 6.726 1.00 0.28 H new ATOM 0 HA LEU A 182 14.858 3.228 5.715 1.00 0.29 H new ATOM 0 HB2 LEU A 182 12.513 4.950 5.090 1.00 0.37 H new ATOM 0 HB3 LEU A 182 14.064 5.661 4.692 1.00 0.37 H new ATOM 0 HG LEU A 182 14.692 3.508 3.507 1.00 0.47 H new ATOM 0 HD11 LEU A 182 12.854 1.925 2.989 1.00 0.94 H new ATOM 0 HD12 LEU A 182 13.132 2.029 4.744 1.00 0.94 H new ATOM 0 HD13 LEU A 182 11.748 2.874 4.010 1.00 0.94 H new ATOM 0 HD21 LEU A 182 13.244 3.927 1.542 1.00 0.71 H new ATOM 0 HD22 LEU A 182 12.136 4.879 2.559 1.00 0.71 H new ATOM 0 HD23 LEU A 182 13.794 5.456 2.268 1.00 0.71 H new ATOM 2622 N ARG A 183 14.323 5.612 7.876 1.00 0.33 N ATOM 2623 CA ARG A 183 15.016 6.603 8.746 1.00 0.34 C ATOM 2624 C ARG A 183 15.848 5.862 9.792 1.00 0.35 C ATOM 2625 O ARG A 183 16.885 6.330 10.220 1.00 0.41 O ATOM 2626 CB ARG A 183 13.979 7.479 9.449 1.00 0.34 C ATOM 2627 CG ARG A 183 14.692 8.490 10.351 1.00 0.75 C ATOM 2628 CD ARG A 183 13.660 9.440 10.964 1.00 0.73 C ATOM 2629 NE ARG A 183 14.298 10.236 12.052 1.00 1.74 N ATOM 2630 CZ ARG A 183 13.592 10.616 13.083 1.00 2.22 C ATOM 2631 NH1 ARG A 183 12.309 10.824 12.957 1.00 2.26 N ATOM 2632 NH2 ARG A 183 14.169 10.790 14.241 1.00 3.24 N ATOM 0 H ARG A 183 13.339 5.458 8.096 1.00 0.33 H new ATOM 0 HA ARG A 183 15.667 7.230 8.137 1.00 0.34 H new ATOM 0 HB2 ARG A 183 13.368 8.000 8.712 1.00 0.34 H new ATOM 0 HB3 ARG A 183 13.305 6.860 10.041 1.00 0.34 H new ATOM 0 HG2 ARG A 183 15.237 7.970 11.139 1.00 0.75 H new ATOM 0 HG3 ARG A 183 15.425 9.054 9.775 1.00 0.75 H new ATOM 0 HD2 ARG A 183 13.263 10.106 10.198 1.00 0.73 H new ATOM 0 HD3 ARG A 183 12.818 8.872 11.360 1.00 0.73 H new ATOM 0 HE ARG A 183 15.286 10.484 11.991 1.00 1.74 H new ATOM 0 HH11 ARG A 183 11.857 10.690 12.053 1.00 2.26 H new ATOM 0 HH12 ARG A 183 11.759 11.121 13.763 1.00 2.26 H new ATOM 0 HH21 ARG A 183 15.171 10.629 14.341 1.00 3.24 H new ATOM 0 HH22 ARG A 183 13.618 11.087 15.046 1.00 3.24 H new ATOM 2646 N GLN A 184 15.403 4.707 10.209 1.00 0.28 N ATOM 2647 CA GLN A 184 16.172 3.939 11.225 1.00 0.28 C ATOM 2648 C GLN A 184 17.345 3.234 10.543 1.00 0.28 C ATOM 2649 O GLN A 184 18.333 2.906 11.169 1.00 0.30 O ATOM 2650 CB GLN A 184 15.259 2.897 11.877 1.00 0.23 C ATOM 2651 CG GLN A 184 14.599 3.498 13.118 1.00 0.51 C ATOM 2652 CD GLN A 184 15.571 3.435 14.299 1.00 0.65 C ATOM 2653 OE1 GLN A 184 16.735 3.757 14.160 1.00 1.64 O ATOM 2654 NE2 GLN A 184 15.141 3.033 15.464 1.00 0.54 N ATOM 0 H GLN A 184 14.541 4.264 9.889 1.00 0.28 H new ATOM 0 HA GLN A 184 16.548 4.619 11.989 1.00 0.28 H new ATOM 0 HB2 GLN A 184 14.497 2.572 11.169 1.00 0.23 H new ATOM 0 HB3 GLN A 184 15.836 2.014 12.151 1.00 0.23 H new ATOM 0 HG2 GLN A 184 14.312 4.532 12.925 1.00 0.51 H new ATOM 0 HG3 GLN A 184 13.686 2.953 13.356 1.00 0.51 H new ATOM 0 HE21 GLN A 184 14.165 2.763 15.582 1.00 0.54 H new ATOM 0 HE22 GLN A 184 15.781 2.989 16.257 1.00 0.54 H new ATOM 2663 N MET A 185 17.242 2.996 9.263 1.00 0.27 N ATOM 2664 CA MET A 185 18.351 2.312 8.544 1.00 0.30 C ATOM 2665 C MET A 185 19.594 3.203 8.555 1.00 0.23 C ATOM 2666 O MET A 185 19.660 4.086 9.394 1.00 0.89 O ATOM 2667 CB MET A 185 17.929 2.039 7.100 1.00 0.53 C ATOM 2668 CG MET A 185 17.085 0.764 7.047 1.00 0.29 C ATOM 2669 SD MET A 185 16.312 0.619 5.416 1.00 0.55 S ATOM 2670 CE MET A 185 14.920 -0.424 5.915 1.00 0.29 C ATOM 2671 OXT MET A 185 20.461 2.987 7.724 1.00 1.06 O ATOM 0 H MET A 185 16.439 3.246 8.686 1.00 0.27 H new ATOM 0 HA MET A 185 18.579 1.369 9.040 1.00 0.30 H new ATOM 0 HB2 MET A 185 17.358 2.882 6.711 1.00 0.53 H new ATOM 0 HB3 MET A 185 18.810 1.931 6.467 1.00 0.53 H new ATOM 0 HG2 MET A 185 17.710 -0.107 7.244 1.00 0.29 H new ATOM 0 HG3 MET A 185 16.320 0.789 7.823 1.00 0.29 H new ATOM 0 HE1 MET A 185 14.120 -0.340 5.179 1.00 0.29 H new ATOM 0 HE2 MET A 185 15.247 -1.462 5.978 1.00 0.29 H new ATOM 0 HE3 MET A 185 14.553 -0.099 6.889 1.00 0.29 H new TER 2681 MET A 185