USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 574 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 Single : A 14 ASN : amide:sc= 0.834 K(o=0.83,f=-4.7!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 71:sc= 0.051 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 86:sc= 1.25 USER MOD Single : A 30 ASN :FLIP amide:sc= 0.352 F(o=-0.49,f=0.35) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 TYR OH : rot 130:sc= 0.151 USER MOD Single : A 38 SER OG : rot -35:sc= 1.29 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.00266 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.171 K(o=-0.17,f=-0.71) USER MOD Single : A 52 ASN : amide:sc= 0.907 K(o=0.91,f=0) USER MOD Single : A 53 SER OG : rot 69:sc= 0.296 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.095 X(o=-0.095,f=-0.095) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 1.05 K(o=1,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl -156:sc= 0 (180deg=-0.575) USER MOD Single : A 69 THR OG1 : rot -83:sc= 1.01 USER MOD Single : A 82 ASN : amide:sc= -0.266 K(o=-0.27,f=-1.9) USER MOD Single : A 83 MET CE :methyl -161:sc= -0.55 (180deg=-1.84) USER MOD Single : A 85 TYR OH : rot 180:sc= 0.113 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 14 -4.448 -3.207 -3.034 0.49 2.42 N ATOM 2 CA ASN A 14 -3.733 -2.116 -3.733 0.49 2.04 C ATOM 3 C ASN A 14 -2.334 -1.946 -3.146 0.49 1.95 C ATOM 4 O ASN A 14 -2.220 -1.512 -2.002 0.49 2.20 O ATOM 5 CB ASN A 14 -4.550 -0.809 -3.707 0.49 2.71 C ATOM 6 CG ASN A 14 -3.865 0.376 -4.380 0.49 2.65 C ATOM 7 OD1 ASN A 14 -3.561 1.369 -3.737 0.49 3.63 O ATOM 8 ND2 ASN A 14 -3.671 0.362 -5.681 0.49 2.67 N ATOM 0 HA ASN A 14 -3.617 -2.383 -4.783 0.49 2.04 H new ATOM 0 HB2 ASN A 14 -5.509 -0.984 -4.195 0.49 2.71 H new ATOM 0 HB3 ASN A 14 -4.763 -0.549 -2.670 0.49 2.71 H new ATOM 0 HD21 ASN A 14 -3.269 1.176 -6.146 0.49 2.67 H new ATOM 0 HD22 ASN A 14 -3.922 -0.463 -6.225 0.49 2.67 H new ATOM 15 N PRO A 15 -1.273 -2.290 -3.900 0.49 1.77 N ATOM 16 CA PRO A 15 0.117 -1.997 -3.541 0.49 1.86 C ATOM 17 C PRO A 15 0.443 -0.506 -3.736 0.49 1.81 C ATOM 18 O PRO A 15 -0.321 0.220 -4.373 0.49 1.95 O ATOM 19 CB PRO A 15 0.984 -2.880 -4.453 0.49 1.89 C ATOM 20 CG PRO A 15 0.003 -3.801 -5.178 0.49 2.10 C ATOM 21 CD PRO A 15 -1.306 -3.028 -5.151 0.49 1.65 C ATOM 0 HA PRO A 15 0.305 -2.209 -2.489 0.49 1.86 H new ATOM 0 HB2 PRO A 15 1.552 -2.276 -5.161 0.49 1.89 H new ATOM 0 HB3 PRO A 15 1.706 -3.454 -3.873 0.49 1.89 H new ATOM 0 HG2 PRO A 15 0.326 -4.006 -6.199 0.49 2.10 H new ATOM 0 HG3 PRO A 15 -0.090 -4.763 -4.674 0.49 2.10 H new ATOM 0 HD2 PRO A 15 -1.387 -2.356 -6.005 0.49 1.65 H new ATOM 0 HD3 PRO A 15 -2.163 -3.700 -5.192 0.49 1.65 H new ATOM 29 N CYS A 16 1.597 -0.045 -3.242 1.00 1.67 N ATOM 30 CA CYS A 16 1.978 1.370 -3.322 1.00 1.60 C ATOM 31 C CYS A 16 2.867 1.696 -4.536 1.00 1.54 C ATOM 32 O CYS A 16 4.088 1.795 -4.423 1.00 1.35 O ATOM 33 CB CYS A 16 2.546 1.826 -1.978 1.00 1.52 C ATOM 34 SG CYS A 16 1.241 2.413 -0.869 1.00 1.54 S ATOM 0 H CYS A 16 2.288 -0.636 -2.779 1.00 1.67 H new ATOM 0 HA CYS A 16 1.082 1.961 -3.511 1.00 1.60 H new ATOM 0 HB2 CYS A 16 3.079 1.000 -1.508 1.00 1.52 H new ATOM 0 HB3 CYS A 16 3.272 2.623 -2.140 1.00 1.52 H new ATOM 39 N LEU A 17 2.245 1.888 -5.706 1.00 1.80 N ATOM 40 CA LEU A 17 2.920 2.084 -7.001 1.00 1.85 C ATOM 41 C LEU A 17 3.757 3.379 -7.070 1.00 1.78 C ATOM 42 O LEU A 17 4.752 3.427 -7.798 1.00 1.77 O ATOM 43 CB LEU A 17 1.867 2.059 -8.129 1.00 2.15 C ATOM 44 CG LEU A 17 1.475 0.655 -8.635 1.00 2.29 C ATOM 45 CD1 LEU A 17 0.835 -0.232 -7.566 1.00 3.92 C ATOM 46 CD2 LEU A 17 0.478 0.792 -9.786 1.00 3.02 C ATOM 0 H LEU A 17 1.228 1.912 -5.783 1.00 1.80 H new ATOM 0 HA LEU A 17 3.630 1.266 -7.124 1.00 1.85 H new ATOM 0 HB2 LEU A 17 0.968 2.564 -7.775 1.00 2.15 H new ATOM 0 HB3 LEU A 17 2.247 2.638 -8.971 1.00 2.15 H new ATOM 0 HG LEU A 17 2.404 0.178 -8.947 1.00 2.29 H new ATOM 0 HD11 LEU A 17 0.588 -1.202 -7.998 1.00 3.92 H new ATOM 0 HD12 LEU A 17 1.534 -0.370 -6.741 1.00 3.92 H new ATOM 0 HD13 LEU A 17 -0.074 0.243 -7.196 1.00 3.92 H new ATOM 0 HD21 LEU A 17 0.199 -0.198 -10.146 1.00 3.02 H new ATOM 0 HD22 LEU A 17 -0.412 1.315 -9.436 1.00 3.02 H new ATOM 0 HD23 LEU A 17 0.935 1.357 -10.598 1.00 3.02 H new ATOM 58 N SER A 18 3.406 4.405 -6.291 1.00 1.79 N ATOM 59 CA SER A 18 4.196 5.643 -6.167 1.00 1.75 C ATOM 60 C SER A 18 5.497 5.418 -5.391 1.00 1.46 C ATOM 61 O SER A 18 6.552 5.928 -5.771 1.00 1.44 O ATOM 62 CB SER A 18 3.385 6.666 -5.384 1.00 1.95 C ATOM 63 OG SER A 18 2.183 7.007 -6.053 1.00 2.26 O ATOM 0 H SER A 18 2.559 4.405 -5.722 1.00 1.79 H new ATOM 0 HA SER A 18 4.432 5.982 -7.176 1.00 1.75 H new ATOM 0 HB2 SER A 18 3.151 6.266 -4.397 1.00 1.95 H new ATOM 0 HB3 SER A 18 3.983 7.564 -5.231 1.00 1.95 H new ATOM 0 HG SER A 18 1.688 7.664 -5.521 1.00 2.26 H new ATOM 69 N GLU A 19 5.427 4.626 -4.318 1.00 1.32 N ATOM 70 CA GLU A 19 6.591 4.200 -3.532 1.00 1.12 C ATOM 71 C GLU A 19 7.476 3.255 -4.354 1.00 0.99 C ATOM 72 O GLU A 19 8.703 3.315 -4.266 1.00 0.93 O ATOM 73 CB GLU A 19 6.094 3.491 -2.260 1.00 1.11 C ATOM 74 CG GLU A 19 7.114 3.487 -1.118 1.00 1.50 C ATOM 75 CD GLU A 19 7.165 4.850 -0.425 1.00 1.65 C ATOM 76 OE1 GLU A 19 7.955 5.731 -0.837 1.00 2.18 O ATOM 77 OE2 GLU A 19 6.418 5.062 0.559 1.00 2.72 O ATOM 0 H GLU A 19 4.545 4.256 -3.964 1.00 1.32 H new ATOM 0 HA GLU A 19 7.188 5.071 -3.261 1.00 1.12 H new ATOM 0 HB2 GLU A 19 5.180 3.977 -1.917 1.00 1.11 H new ATOM 0 HB3 GLU A 19 5.834 2.462 -2.507 1.00 1.11 H new ATOM 0 HG2 GLU A 19 6.851 2.716 -0.394 1.00 1.50 H new ATOM 0 HG3 GLU A 19 8.101 3.236 -1.507 1.00 1.50 H new ATOM 84 N SER A 20 6.848 2.438 -5.210 1.00 1.07 N ATOM 85 CA SER A 20 7.561 1.542 -6.134 1.00 1.16 C ATOM 86 C SER A 20 8.396 2.314 -7.155 1.00 1.27 C ATOM 87 O SER A 20 9.517 1.903 -7.457 1.00 1.29 O ATOM 88 CB SER A 20 6.604 0.626 -6.900 1.00 1.37 C ATOM 89 OG SER A 20 5.952 -0.289 -6.041 1.00 2.24 O ATOM 0 H SER A 20 5.832 2.379 -5.282 1.00 1.07 H new ATOM 0 HA SER A 20 8.217 0.942 -5.504 1.00 1.16 H new ATOM 0 HB2 SER A 20 5.860 1.230 -7.419 1.00 1.37 H new ATOM 0 HB3 SER A 20 7.158 0.078 -7.662 1.00 1.37 H new ATOM 0 HG SER A 20 5.306 0.191 -5.482 1.00 2.24 H new ATOM 95 N ASP A 21 7.903 3.448 -7.663 1.00 1.39 N ATOM 96 CA ASP A 21 8.668 4.298 -8.582 1.00 1.47 C ATOM 97 C ASP A 21 9.919 4.874 -7.905 1.00 1.21 C ATOM 98 O ASP A 21 11.017 4.749 -8.441 1.00 1.22 O ATOM 99 CB ASP A 21 7.767 5.410 -9.137 1.00 1.70 C ATOM 100 CG ASP A 21 8.498 6.294 -10.153 1.00 1.95 C ATOM 101 OD1 ASP A 21 9.033 5.759 -11.151 1.00 1.80 O ATOM 102 OD2 ASP A 21 8.513 7.535 -9.972 1.00 3.15 O ATOM 0 H ASP A 21 6.970 3.801 -7.451 1.00 1.39 H new ATOM 0 HA ASP A 21 9.014 3.685 -9.414 1.00 1.47 H new ATOM 0 HB2 ASP A 21 6.892 4.964 -9.609 1.00 1.70 H new ATOM 0 HB3 ASP A 21 7.406 6.027 -8.314 1.00 1.70 H new ATOM 107 N ALA A 22 9.791 5.429 -6.697 1.00 1.07 N ATOM 108 CA ALA A 22 10.916 6.032 -5.976 1.00 0.94 C ATOM 109 C ALA A 22 11.928 4.986 -5.455 1.00 0.85 C ATOM 110 O ALA A 22 13.139 5.170 -5.604 1.00 0.91 O ATOM 111 CB ALA A 22 10.334 6.915 -4.871 1.00 0.98 C ATOM 0 H ALA A 22 8.906 5.473 -6.191 1.00 1.07 H new ATOM 0 HA ALA A 22 11.507 6.644 -6.657 1.00 0.94 H new ATOM 0 HB1 ALA A 22 11.146 7.381 -4.312 1.00 0.98 H new ATOM 0 HB2 ALA A 22 9.708 7.689 -5.315 1.00 0.98 H new ATOM 0 HB3 ALA A 22 9.733 6.305 -4.197 1.00 0.98 H new ATOM 117 N SER A 23 11.444 3.833 -4.969 1.00 0.85 N ATOM 118 CA SER A 23 12.242 2.609 -4.755 1.00 0.92 C ATOM 119 C SER A 23 13.073 2.271 -5.998 1.00 1.01 C ATOM 120 O SER A 23 14.293 2.099 -5.926 1.00 1.05 O ATOM 121 CB SER A 23 11.295 1.438 -4.442 1.00 1.15 C ATOM 122 OG SER A 23 11.966 0.190 -4.445 1.00 1.32 O ATOM 0 H SER A 23 10.465 3.720 -4.707 1.00 0.85 H new ATOM 0 HA SER A 23 12.923 2.779 -3.921 1.00 0.92 H new ATOM 0 HB2 SER A 23 10.833 1.597 -3.468 1.00 1.15 H new ATOM 0 HB3 SER A 23 10.490 1.417 -5.177 1.00 1.15 H new ATOM 0 HG SER A 23 11.328 -0.525 -4.240 1.00 1.32 H new ATOM 128 N THR A 24 12.422 2.265 -7.165 1.00 1.15 N ATOM 129 CA THR A 24 13.075 2.010 -8.453 1.00 1.35 C ATOM 130 C THR A 24 14.088 3.101 -8.804 1.00 1.41 C ATOM 131 O THR A 24 15.140 2.766 -9.335 1.00 1.57 O ATOM 132 CB THR A 24 12.041 1.807 -9.574 1.00 1.50 C ATOM 133 OG1 THR A 24 11.147 0.779 -9.197 1.00 1.51 O ATOM 134 CG2 THR A 24 12.672 1.368 -10.892 1.00 1.66 C ATOM 0 H THR A 24 11.420 2.438 -7.243 1.00 1.15 H new ATOM 0 HA THR A 24 13.635 1.080 -8.355 1.00 1.35 H new ATOM 0 HB THR A 24 11.548 2.768 -9.717 1.00 1.50 H new ATOM 0 HG1 THR A 24 10.422 1.158 -8.657 1.00 1.51 H new ATOM 0 HG21 THR A 24 11.893 1.241 -11.644 1.00 1.66 H new ATOM 0 HG22 THR A 24 13.380 2.126 -11.227 1.00 1.66 H new ATOM 0 HG23 THR A 24 13.195 0.422 -10.748 1.00 1.66 H new ATOM 142 N ARG A 25 13.869 4.380 -8.452 1.00 1.30 N ATOM 143 CA ARG A 25 14.864 5.452 -8.679 1.00 1.33 C ATOM 144 C ARG A 25 16.108 5.299 -7.802 1.00 1.22 C ATOM 145 O ARG A 25 17.212 5.517 -8.309 1.00 1.36 O ATOM 146 CB ARG A 25 14.249 6.863 -8.563 1.00 1.37 C ATOM 147 CG ARG A 25 13.040 7.155 -9.476 1.00 1.82 C ATOM 148 CD ARG A 25 13.115 6.511 -10.869 1.00 1.91 C ATOM 149 NE ARG A 25 11.833 6.597 -11.586 1.00 2.76 N ATOM 150 CZ ARG A 25 11.648 6.770 -12.879 1.00 3.69 C ATOM 151 NH1 ARG A 25 12.606 6.944 -13.745 1.00 4.42 N ATOM 152 NH2 ARG A 25 10.440 6.747 -13.342 1.00 4.88 N ATOM 0 H ARG A 25 13.009 4.701 -8.007 1.00 1.30 H new ATOM 0 HA ARG A 25 15.195 5.336 -9.711 1.00 1.33 H new ATOM 0 HB2 ARG A 25 13.943 7.020 -7.529 1.00 1.37 H new ATOM 0 HB3 ARG A 25 15.027 7.595 -8.780 1.00 1.37 H new ATOM 0 HG2 ARG A 25 12.135 6.807 -8.979 1.00 1.82 H new ATOM 0 HG3 ARG A 25 12.944 8.234 -9.595 1.00 1.82 H new ATOM 0 HD2 ARG A 25 13.892 7.003 -11.455 1.00 1.91 H new ATOM 0 HD3 ARG A 25 13.405 5.465 -10.770 1.00 1.91 H new ATOM 0 HE ARG A 25 10.991 6.513 -11.017 1.00 2.76 H new ATOM 0 HH11 ARG A 25 13.578 6.952 -13.436 1.00 4.42 H new ATOM 0 HH12 ARG A 25 12.384 7.072 -14.732 1.00 4.42 H new ATOM 0 HH21 ARG A 25 9.654 6.597 -12.709 1.00 4.88 H new ATOM 0 HH22 ARG A 25 10.274 6.879 -14.340 1.00 4.88 H new ATOM 166 N CYS A 26 15.965 4.836 -6.555 1.00 1.06 N ATOM 167 CA CYS A 26 17.113 4.422 -5.735 1.00 1.14 C ATOM 168 C CYS A 26 17.885 3.260 -6.387 1.00 1.37 C ATOM 169 O CYS A 26 19.096 3.334 -6.579 1.00 1.64 O ATOM 170 CB CYS A 26 16.659 4.062 -4.308 1.00 1.00 C ATOM 171 SG CYS A 26 17.970 3.270 -3.327 1.00 1.26 S ATOM 0 H CYS A 26 15.063 4.738 -6.089 1.00 1.06 H new ATOM 0 HA CYS A 26 17.799 5.266 -5.670 1.00 1.14 H new ATOM 0 HB2 CYS A 26 16.327 4.967 -3.799 1.00 1.00 H new ATOM 0 HB3 CYS A 26 15.800 3.394 -4.363 1.00 1.00 H new ATOM 176 N LEU A 27 17.186 2.193 -6.767 1.00 1.38 N ATOM 177 CA LEU A 27 17.750 0.970 -7.368 1.00 1.74 C ATOM 178 C LEU A 27 18.341 1.152 -8.778 1.00 2.13 C ATOM 179 O LEU A 27 19.212 0.407 -9.233 1.00 2.72 O ATOM 180 CB LEU A 27 16.606 -0.049 -7.344 1.00 1.72 C ATOM 181 CG LEU A 27 16.644 -0.907 -6.078 1.00 1.55 C ATOM 182 CD1 LEU A 27 16.948 -0.255 -4.723 1.00 1.25 C ATOM 183 CD2 LEU A 27 15.322 -1.655 -5.920 1.00 1.49 C ATOM 0 H LEU A 27 16.172 2.147 -6.664 1.00 1.38 H new ATOM 0 HA LEU A 27 18.617 0.641 -6.795 1.00 1.74 H new ATOM 0 HB2 LEU A 27 15.651 0.473 -7.402 1.00 1.72 H new ATOM 0 HB3 LEU A 27 16.672 -0.692 -8.222 1.00 1.72 H new ATOM 0 HG LEU A 27 17.515 -1.531 -6.278 1.00 1.55 H new ATOM 0 HD11 LEU A 27 16.933 -1.015 -3.942 1.00 1.25 H new ATOM 0 HD12 LEU A 27 17.933 0.211 -4.756 1.00 1.25 H new ATOM 0 HD13 LEU A 27 16.195 0.503 -4.507 1.00 1.25 H new ATOM 0 HD21 LEU A 27 15.354 -2.264 -5.017 1.00 1.49 H new ATOM 0 HD22 LEU A 27 14.505 -0.938 -5.844 1.00 1.49 H new ATOM 0 HD23 LEU A 27 15.162 -2.298 -6.786 1.00 1.49 H new ATOM 195 N ASP A 28 17.877 2.191 -9.444 1.00 1.88 N ATOM 196 CA ASP A 28 18.457 2.794 -10.642 1.00 2.12 C ATOM 197 C ASP A 28 19.712 3.647 -10.338 1.00 2.09 C ATOM 198 O ASP A 28 20.656 3.629 -11.127 1.00 2.38 O ATOM 199 CB ASP A 28 17.363 3.604 -11.346 1.00 2.12 C ATOM 200 CG ASP A 28 17.903 4.446 -12.490 1.00 2.37 C ATOM 201 OD1 ASP A 28 18.365 3.881 -13.507 1.00 2.74 O ATOM 202 OD2 ASP A 28 17.893 5.690 -12.359 1.00 3.17 O ATOM 0 H ASP A 28 17.028 2.673 -9.148 1.00 1.88 H new ATOM 0 HA ASP A 28 18.813 2.003 -11.302 1.00 2.12 H new ATOM 0 HB2 ASP A 28 16.602 2.924 -11.728 1.00 2.12 H new ATOM 0 HB3 ASP A 28 16.874 4.254 -10.621 1.00 2.12 H new ATOM 207 N GLU A 29 19.784 4.364 -9.213 1.00 1.83 N ATOM 208 CA GLU A 29 20.983 5.093 -8.766 1.00 1.96 C ATOM 209 C GLU A 29 22.156 4.212 -8.300 1.00 2.20 C ATOM 210 O GLU A 29 23.314 4.581 -8.516 1.00 2.30 O ATOM 211 CB GLU A 29 20.584 6.030 -7.611 1.00 1.79 C ATOM 212 CG GLU A 29 20.602 7.499 -8.035 1.00 1.87 C ATOM 213 CD GLU A 29 22.016 8.049 -8.264 1.00 2.70 C ATOM 214 OE1 GLU A 29 22.832 8.076 -7.303 1.00 3.03 O ATOM 215 OE2 GLU A 29 22.314 8.490 -9.401 1.00 4.00 O ATOM 0 H GLU A 29 18.996 4.458 -8.572 1.00 1.83 H new ATOM 0 HA GLU A 29 21.347 5.630 -9.642 1.00 1.96 H new ATOM 0 HB2 GLU A 29 19.587 5.766 -7.258 1.00 1.79 H new ATOM 0 HB3 GLU A 29 21.267 5.886 -6.774 1.00 1.79 H new ATOM 0 HG2 GLU A 29 20.023 7.612 -8.952 1.00 1.87 H new ATOM 0 HG3 GLU A 29 20.107 8.097 -7.270 1.00 1.87 H new ATOM 222 N ASN A 30 21.882 3.089 -7.627 1.00 2.33 N ATOM 223 CA ASN A 30 22.875 2.212 -6.998 1.00 2.71 C ATOM 224 C ASN A 30 22.584 0.715 -7.219 1.00 2.89 C ATOM 225 O ASN A 30 21.424 0.331 -7.342 1.00 3.82 O ATOM 226 CB ASN A 30 22.928 2.540 -5.496 1.00 2.68 C ATOM 227 CG ASN A 30 21.585 2.647 -4.797 1.00 2.29 C ATOM 228 OD1 ASN A 30 20.697 1.696 -4.979 1.00 2.14 O flip ATOM 229 ND2 ASN A 30 21.323 3.602 -4.078 1.00 2.23 N flip ATOM 0 H ASN A 30 20.927 2.754 -7.501 1.00 2.33 H new ATOM 0 HA ASN A 30 23.841 2.398 -7.467 1.00 2.71 H new ATOM 0 HB2 ASN A 30 23.517 1.771 -4.996 1.00 2.68 H new ATOM 0 HB3 ASN A 30 23.460 3.483 -5.367 1.00 2.68 H new ATOM 0 HD21 ASN A 30 22.014 4.339 -3.938 1.00 2.23 H new ATOM 0 HD22 ASN A 30 20.414 3.661 -3.619 1.00 2.23 H new ATOM 236 N ASN A 31 23.613 -0.135 -7.158 1.00 2.45 N ATOM 237 CA ASN A 31 23.586 -1.576 -7.454 1.00 2.75 C ATOM 238 C ASN A 31 22.672 -2.406 -6.511 1.00 2.42 C ATOM 239 O ASN A 31 23.129 -3.053 -5.564 1.00 2.26 O ATOM 240 CB ASN A 31 25.053 -2.051 -7.459 1.00 3.29 C ATOM 241 CG ASN A 31 25.219 -3.456 -7.985 1.00 4.73 C ATOM 242 OD1 ASN A 31 25.493 -4.385 -7.238 1.00 5.22 O ATOM 243 ND2 ASN A 31 25.044 -3.650 -9.268 1.00 6.25 N ATOM 0 H ASN A 31 24.544 0.180 -6.885 1.00 2.45 H new ATOM 0 HA ASN A 31 23.125 -1.742 -8.428 1.00 2.75 H new ATOM 0 HB2 ASN A 31 25.647 -1.369 -8.067 1.00 3.29 H new ATOM 0 HB3 ASN A 31 25.449 -2.000 -6.445 1.00 3.29 H new ATOM 0 HD21 ASN A 31 25.136 -4.588 -9.659 1.00 6.25 H new ATOM 0 HD22 ASN A 31 24.816 -2.864 -9.876 1.00 6.25 H new ATOM 250 N TYR A 32 21.362 -2.369 -6.767 1.00 2.43 N ATOM 251 CA TYR A 32 20.270 -2.931 -5.963 1.00 2.14 C ATOM 252 C TYR A 32 20.406 -2.729 -4.440 1.00 1.71 C ATOM 253 O TYR A 32 20.225 -3.659 -3.651 1.00 1.78 O ATOM 254 CB TYR A 32 19.927 -4.371 -6.389 1.00 2.62 C ATOM 255 CG TYR A 32 18.457 -4.705 -6.186 1.00 2.76 C ATOM 256 CD1 TYR A 32 17.524 -4.353 -7.180 1.00 3.13 C ATOM 257 CD2 TYR A 32 18.005 -5.321 -5.002 1.00 3.72 C ATOM 258 CE1 TYR A 32 16.152 -4.608 -6.992 1.00 3.38 C ATOM 259 CE2 TYR A 32 16.636 -5.579 -4.809 1.00 4.08 C ATOM 260 CZ TYR A 32 15.703 -5.207 -5.796 1.00 3.46 C ATOM 261 OH TYR A 32 14.376 -5.368 -5.561 1.00 3.98 O ATOM 0 H TYR A 32 21.008 -1.910 -7.606 1.00 2.43 H new ATOM 0 HA TYR A 32 19.394 -2.326 -6.198 1.00 2.14 H new ATOM 0 HB2 TYR A 32 20.185 -4.507 -7.439 1.00 2.62 H new ATOM 0 HB3 TYR A 32 20.537 -5.070 -5.818 1.00 2.62 H new ATOM 0 HD1 TYR A 32 17.863 -3.885 -8.092 1.00 3.13 H new ATOM 0 HD2 TYR A 32 18.715 -5.597 -4.237 1.00 3.72 H new ATOM 0 HE1 TYR A 32 15.443 -4.345 -7.763 1.00 3.38 H new ATOM 0 HE2 TYR A 32 16.300 -6.063 -3.904 1.00 4.08 H new ATOM 0 HH TYR A 32 14.201 -6.294 -5.292 1.00 3.98 H new ATOM 271 N ASP A 33 20.737 -1.515 -3.985 1.00 1.43 N ATOM 272 CA ASP A 33 20.960 -1.225 -2.558 1.00 1.17 C ATOM 273 C ASP A 33 19.652 -1.013 -1.769 1.00 0.88 C ATOM 274 O ASP A 33 19.449 -0.027 -1.057 1.00 0.75 O ATOM 275 CB ASP A 33 21.995 -0.109 -2.361 1.00 1.38 C ATOM 276 CG ASP A 33 22.692 -0.214 -0.999 1.00 1.46 C ATOM 277 OD1 ASP A 33 22.207 -0.938 -0.097 1.00 1.99 O ATOM 278 OD2 ASP A 33 23.787 0.385 -0.863 1.00 2.19 O ATOM 0 H ASP A 33 20.858 -0.705 -4.592 1.00 1.43 H new ATOM 0 HA ASP A 33 21.396 -2.121 -2.117 1.00 1.17 H new ATOM 0 HB2 ASP A 33 22.740 -0.159 -3.155 1.00 1.38 H new ATOM 0 HB3 ASP A 33 21.505 0.861 -2.445 1.00 1.38 H new ATOM 283 N ARG A 34 18.747 -1.994 -1.861 1.00 1.06 N ATOM 284 CA ARG A 34 17.521 -2.092 -1.053 1.00 1.14 C ATOM 285 C ARG A 34 17.800 -2.377 0.436 1.00 0.98 C ATOM 286 O ARG A 34 16.863 -2.582 1.203 1.00 1.05 O ATOM 287 CB ARG A 34 16.549 -3.098 -1.711 1.00 1.76 C ATOM 288 CG ARG A 34 15.099 -2.581 -1.677 1.00 4.28 C ATOM 289 CD ARG A 34 14.096 -3.573 -2.287 1.00 5.06 C ATOM 290 NE ARG A 34 13.875 -4.739 -1.410 1.00 5.39 N ATOM 291 CZ ARG A 34 13.416 -5.926 -1.761 1.00 5.80 C ATOM 292 NH1 ARG A 34 13.102 -6.235 -2.983 1.00 6.02 N ATOM 293 NH2 ARG A 34 13.267 -6.871 -0.881 1.00 6.57 N ATOM 0 H ARG A 34 18.849 -2.766 -2.519 1.00 1.06 H new ATOM 0 HA ARG A 34 17.033 -1.118 -1.042 1.00 1.14 H new ATOM 0 HB2 ARG A 34 16.850 -3.275 -2.744 1.00 1.76 H new ATOM 0 HB3 ARG A 34 16.608 -4.055 -1.193 1.00 1.76 H new ATOM 0 HG2 ARG A 34 14.816 -2.375 -0.645 1.00 4.28 H new ATOM 0 HG3 ARG A 34 15.043 -1.636 -2.218 1.00 4.28 H new ATOM 0 HD2 ARG A 34 13.147 -3.067 -2.465 1.00 5.06 H new ATOM 0 HD3 ARG A 34 14.463 -3.911 -3.256 1.00 5.06 H new ATOM 0 HE ARG A 34 14.102 -4.614 -0.423 1.00 5.39 H new ATOM 0 HH11 ARG A 34 13.206 -5.544 -3.726 1.00 6.02 H new ATOM 0 HH12 ARG A 34 12.751 -7.168 -3.199 1.00 6.02 H new ATOM 0 HH21 ARG A 34 13.506 -6.700 0.096 1.00 6.57 H new ATOM 0 HH22 ARG A 34 12.911 -7.783 -1.167 1.00 6.57 H new ATOM 307 N GLU A 35 19.068 -2.369 0.853 1.00 1.00 N ATOM 308 CA GLU A 35 19.523 -2.404 2.256 1.00 1.17 C ATOM 309 C GLU A 35 19.661 -0.978 2.830 1.00 1.27 C ATOM 310 O GLU A 35 19.256 -0.726 3.967 1.00 1.59 O ATOM 311 CB GLU A 35 20.839 -3.200 2.369 1.00 1.43 C ATOM 312 CG GLU A 35 20.688 -4.653 1.881 1.00 1.56 C ATOM 313 CD GLU A 35 21.986 -5.469 1.965 1.00 2.22 C ATOM 314 OE1 GLU A 35 23.016 -5.034 1.397 1.00 3.44 O ATOM 315 OE2 GLU A 35 21.955 -6.589 2.543 1.00 2.66 O ATOM 0 H GLU A 35 19.847 -2.336 0.195 1.00 1.00 H new ATOM 0 HA GLU A 35 18.771 -2.916 2.856 1.00 1.17 H new ATOM 0 HB2 GLU A 35 21.613 -2.702 1.786 1.00 1.43 H new ATOM 0 HB3 GLU A 35 21.173 -3.201 3.407 1.00 1.43 H new ATOM 0 HG2 GLU A 35 19.919 -5.148 2.474 1.00 1.56 H new ATOM 0 HG3 GLU A 35 20.340 -4.646 0.848 1.00 1.56 H new ATOM 322 N ARG A 36 20.128 -0.007 2.025 1.00 1.17 N ATOM 323 CA ARG A 36 19.991 1.441 2.314 1.00 1.25 C ATOM 324 C ARG A 36 18.566 1.942 2.042 1.00 1.08 C ATOM 325 O ARG A 36 18.038 2.750 2.808 1.00 1.30 O ATOM 326 CB ARG A 36 21.022 2.243 1.493 1.00 1.33 C ATOM 327 CG ARG A 36 22.400 2.388 2.162 1.00 1.68 C ATOM 328 CD ARG A 36 23.014 1.063 2.630 1.00 2.23 C ATOM 329 NE ARG A 36 24.403 1.235 3.092 1.00 2.59 N ATOM 330 CZ ARG A 36 25.489 0.778 2.493 1.00 3.59 C ATOM 331 NH1 ARG A 36 25.495 0.218 1.320 1.00 4.60 N ATOM 332 NH2 ARG A 36 26.651 0.871 3.058 1.00 4.03 N ATOM 0 H ARG A 36 20.614 -0.201 1.150 1.00 1.17 H new ATOM 0 HA ARG A 36 20.188 1.594 3.375 1.00 1.25 H new ATOM 0 HB2 ARG A 36 21.152 1.759 0.525 1.00 1.33 H new ATOM 0 HB3 ARG A 36 20.620 3.238 1.301 1.00 1.33 H new ATOM 0 HG2 ARG A 36 23.084 2.865 1.460 1.00 1.68 H new ATOM 0 HG3 ARG A 36 22.307 3.055 3.019 1.00 1.68 H new ATOM 0 HD2 ARG A 36 22.411 0.649 3.438 1.00 2.23 H new ATOM 0 HD3 ARG A 36 22.990 0.343 1.812 1.00 2.23 H new ATOM 0 HE ARG A 36 24.539 1.757 3.958 1.00 2.59 H new ATOM 0 HH11 ARG A 36 24.623 0.109 0.802 1.00 4.60 H new ATOM 0 HH12 ARG A 36 26.372 -0.112 0.917 1.00 4.60 H new ATOM 0 HH21 ARG A 36 26.737 1.302 3.978 1.00 4.03 H new ATOM 0 HH22 ARG A 36 27.479 0.513 2.582 1.00 4.03 H new ATOM 346 N CYS A 37 17.919 1.409 1.005 1.00 0.79 N ATOM 347 CA CYS A 37 16.550 1.740 0.592 1.00 0.68 C ATOM 348 C CYS A 37 15.487 0.719 1.061 1.00 0.67 C ATOM 349 O CYS A 37 14.469 0.539 0.392 1.00 0.58 O ATOM 350 CB CYS A 37 16.542 2.015 -0.922 1.00 0.54 C ATOM 351 SG CYS A 37 17.469 3.508 -1.369 1.00 1.06 S ATOM 0 H CYS A 37 18.350 0.706 0.404 1.00 0.79 H new ATOM 0 HA CYS A 37 16.241 2.650 1.106 1.00 0.68 H new ATOM 0 HB2 CYS A 37 16.968 1.158 -1.445 1.00 0.54 H new ATOM 0 HB3 CYS A 37 15.512 2.117 -1.263 1.00 0.54 H new ATOM 356 N SER A 38 15.675 0.049 2.209 1.00 0.87 N ATOM 357 CA SER A 38 14.647 -0.848 2.776 1.00 0.92 C ATOM 358 C SER A 38 13.382 -0.097 3.192 1.00 0.90 C ATOM 359 O SER A 38 12.293 -0.658 3.124 1.00 0.89 O ATOM 360 CB SER A 38 15.140 -1.595 4.017 1.00 1.16 C ATOM 361 OG SER A 38 16.361 -2.271 3.800 1.00 1.89 O ATOM 0 H SER A 38 16.528 0.109 2.765 1.00 0.87 H new ATOM 0 HA SER A 38 14.428 -1.550 1.971 1.00 0.92 H new ATOM 0 HB2 SER A 38 15.263 -0.887 4.837 1.00 1.16 H new ATOM 0 HB3 SER A 38 14.382 -2.314 4.328 1.00 1.16 H new ATOM 0 HG SER A 38 16.389 -2.608 2.880 1.00 1.89 H new ATOM 367 N THR A 39 13.499 1.178 3.575 1.00 0.95 N ATOM 368 CA THR A 39 12.372 2.027 3.997 1.00 0.97 C ATOM 369 C THR A 39 11.221 2.068 2.981 1.00 0.85 C ATOM 370 O THR A 39 10.054 2.075 3.366 1.00 0.90 O ATOM 371 CB THR A 39 12.876 3.450 4.274 1.00 1.13 C ATOM 372 OG1 THR A 39 14.001 3.391 5.123 1.00 2.36 O ATOM 373 CG2 THR A 39 11.842 4.291 5.008 1.00 2.20 C ATOM 0 H THR A 39 14.396 1.662 3.602 1.00 0.95 H new ATOM 0 HA THR A 39 11.965 1.581 4.904 1.00 0.97 H new ATOM 0 HB THR A 39 13.102 3.896 3.305 1.00 1.13 H new ATOM 0 HG1 THR A 39 14.325 4.299 5.300 1.00 2.36 H new ATOM 0 HG21 THR A 39 12.243 5.290 5.182 1.00 2.20 H new ATOM 0 HG22 THR A 39 10.937 4.363 4.405 1.00 2.20 H new ATOM 0 HG23 THR A 39 11.605 3.823 5.964 1.00 2.20 H new ATOM 381 N TYR A 40 11.524 2.008 1.683 1.00 0.72 N ATOM 382 CA TYR A 40 10.520 1.956 0.617 1.00 0.63 C ATOM 383 C TYR A 40 9.778 0.615 0.604 1.00 0.61 C ATOM 384 O TYR A 40 8.549 0.594 0.604 1.00 0.69 O ATOM 385 CB TYR A 40 11.179 2.194 -0.744 1.00 0.55 C ATOM 386 CG TYR A 40 11.891 3.521 -0.890 1.00 0.62 C ATOM 387 CD1 TYR A 40 13.156 3.713 -0.301 1.00 2.03 C ATOM 388 CD2 TYR A 40 11.291 4.560 -1.624 1.00 1.91 C ATOM 389 CE1 TYR A 40 13.824 4.940 -0.443 1.00 2.12 C ATOM 390 CE2 TYR A 40 11.965 5.785 -1.779 1.00 1.94 C ATOM 391 CZ TYR A 40 13.232 5.977 -1.191 1.00 0.92 C ATOM 392 OH TYR A 40 13.886 7.158 -1.338 1.00 1.14 O ATOM 0 H TYR A 40 12.484 1.994 1.338 1.00 0.72 H new ATOM 0 HA TYR A 40 9.793 2.744 0.813 1.00 0.63 H new ATOM 0 HB2 TYR A 40 11.895 1.393 -0.928 1.00 0.55 H new ATOM 0 HB3 TYR A 40 10.415 2.123 -1.518 1.00 0.55 H new ATOM 0 HD1 TYR A 40 13.614 2.913 0.262 1.00 2.03 H new ATOM 0 HD2 TYR A 40 10.316 4.418 -2.067 1.00 1.91 H new ATOM 0 HE1 TYR A 40 14.789 5.088 0.020 1.00 2.12 H new ATOM 0 HE2 TYR A 40 11.510 6.581 -2.350 1.00 1.94 H new ATOM 0 HH TYR A 40 13.344 7.767 -1.882 1.00 1.14 H new ATOM 402 N PHE A 41 10.515 -0.502 0.671 1.00 0.58 N ATOM 403 CA PHE A 41 9.935 -1.839 0.830 1.00 0.70 C ATOM 404 C PHE A 41 9.087 -1.928 2.109 1.00 0.84 C ATOM 405 O PHE A 41 8.005 -2.510 2.083 1.00 0.94 O ATOM 406 CB PHE A 41 11.054 -2.896 0.803 1.00 0.83 C ATOM 407 CG PHE A 41 10.617 -4.279 1.262 1.00 2.11 C ATOM 408 CD1 PHE A 41 9.610 -4.970 0.562 1.00 2.87 C ATOM 409 CD2 PHE A 41 11.181 -4.855 2.418 1.00 3.85 C ATOM 410 CE1 PHE A 41 9.160 -6.220 1.023 1.00 4.30 C ATOM 411 CE2 PHE A 41 10.727 -6.106 2.876 1.00 5.22 C ATOM 412 CZ PHE A 41 9.717 -6.788 2.179 1.00 5.21 C ATOM 0 H PHE A 41 11.534 -0.502 0.616 1.00 0.58 H new ATOM 0 HA PHE A 41 9.261 -2.037 -0.004 1.00 0.70 H new ATOM 0 HB2 PHE A 41 11.445 -2.969 -0.212 1.00 0.83 H new ATOM 0 HB3 PHE A 41 11.874 -2.557 1.437 1.00 0.83 H new ATOM 0 HD1 PHE A 41 9.182 -4.539 -0.331 1.00 2.87 H new ATOM 0 HD2 PHE A 41 11.962 -4.336 2.953 1.00 3.85 H new ATOM 0 HE1 PHE A 41 8.384 -6.744 0.486 1.00 4.30 H new ATOM 0 HE2 PHE A 41 11.157 -6.542 3.766 1.00 5.22 H new ATOM 0 HZ PHE A 41 9.369 -7.748 2.532 1.00 5.21 H new ATOM 422 N LEU A 42 9.506 -1.276 3.198 1.00 0.90 N ATOM 423 CA LEU A 42 8.743 -1.188 4.440 1.00 1.03 C ATOM 424 C LEU A 42 7.434 -0.411 4.271 1.00 1.03 C ATOM 425 O LEU A 42 6.377 -0.968 4.550 1.00 1.09 O ATOM 426 CB LEU A 42 9.664 -0.642 5.552 1.00 1.11 C ATOM 427 CG LEU A 42 8.971 -0.229 6.864 1.00 1.18 C ATOM 428 CD1 LEU A 42 8.201 -1.376 7.513 1.00 1.23 C ATOM 429 CD2 LEU A 42 10.013 0.284 7.857 1.00 1.26 C ATOM 0 H LEU A 42 10.400 -0.787 3.239 1.00 0.90 H new ATOM 0 HA LEU A 42 8.414 -2.183 4.739 1.00 1.03 H new ATOM 0 HB2 LEU A 42 10.411 -1.402 5.783 1.00 1.11 H new ATOM 0 HB3 LEU A 42 10.200 0.223 5.160 1.00 1.11 H new ATOM 0 HG LEU A 42 8.255 0.552 6.609 1.00 1.18 H new ATOM 0 HD11 LEU A 42 7.734 -1.026 8.433 1.00 1.23 H new ATOM 0 HD12 LEU A 42 7.431 -1.731 6.828 1.00 1.23 H new ATOM 0 HD13 LEU A 42 8.887 -2.191 7.742 1.00 1.23 H new ATOM 0 HD21 LEU A 42 9.520 0.575 8.784 1.00 1.26 H new ATOM 0 HD22 LEU A 42 10.738 -0.504 8.064 1.00 1.26 H new ATOM 0 HD23 LEU A 42 10.526 1.147 7.433 1.00 1.26 H new ATOM 441 N ARG A 43 7.451 0.817 3.740 1.00 1.00 N ATOM 442 CA ARG A 43 6.215 1.589 3.483 1.00 1.04 C ATOM 443 C ARG A 43 5.315 0.919 2.439 1.00 1.03 C ATOM 444 O ARG A 43 4.094 1.062 2.493 1.00 1.11 O ATOM 445 CB ARG A 43 6.566 3.037 3.107 1.00 1.06 C ATOM 446 CG ARG A 43 7.235 3.765 4.288 1.00 1.24 C ATOM 447 CD ARG A 43 7.625 5.235 4.020 1.00 1.40 C ATOM 448 NE ARG A 43 8.243 5.452 2.695 1.00 2.18 N ATOM 449 CZ ARG A 43 9.426 5.972 2.413 1.00 3.26 C ATOM 450 NH1 ARG A 43 10.210 6.507 3.296 1.00 3.71 N ATOM 451 NH2 ARG A 43 9.881 5.969 1.197 1.00 4.74 N ATOM 0 H ARG A 43 8.307 1.305 3.477 1.00 1.00 H new ATOM 0 HA ARG A 43 5.632 1.609 4.404 1.00 1.04 H new ATOM 0 HB2 ARG A 43 7.235 3.041 2.246 1.00 1.06 H new ATOM 0 HB3 ARG A 43 5.662 3.569 2.811 1.00 1.06 H new ATOM 0 HG2 ARG A 43 6.558 3.736 5.142 1.00 1.24 H new ATOM 0 HG3 ARG A 43 8.132 3.214 4.572 1.00 1.24 H new ATOM 0 HD2 ARG A 43 6.735 5.859 4.103 1.00 1.40 H new ATOM 0 HD3 ARG A 43 8.319 5.565 4.793 1.00 1.40 H new ATOM 0 HE ARG A 43 7.684 5.163 1.893 1.00 2.18 H new ATOM 0 HH11 ARG A 43 9.926 6.544 4.275 1.00 3.71 H new ATOM 0 HH12 ARG A 43 11.111 6.891 3.012 1.00 3.71 H new ATOM 0 HH21 ARG A 43 9.324 5.562 0.445 1.00 4.74 H new ATOM 0 HH22 ARG A 43 10.795 6.373 0.993 1.00 4.74 H new ATOM 465 N TYR A 44 5.889 0.101 1.557 1.00 0.98 N ATOM 466 CA TYR A 44 5.141 -0.734 0.605 1.00 1.01 C ATOM 467 C TYR A 44 4.501 -1.945 1.305 1.00 1.07 C ATOM 468 O TYR A 44 3.324 -2.225 1.085 1.00 1.15 O ATOM 469 CB TYR A 44 6.051 -1.117 -0.575 1.00 0.97 C ATOM 470 CG TYR A 44 5.474 -2.098 -1.583 1.00 1.03 C ATOM 471 CD1 TYR A 44 5.527 -3.481 -1.318 1.00 2.07 C ATOM 472 CD2 TYR A 44 4.964 -1.641 -2.817 1.00 1.92 C ATOM 473 CE1 TYR A 44 5.061 -4.404 -2.274 1.00 2.17 C ATOM 474 CE2 TYR A 44 4.507 -2.565 -3.781 1.00 1.96 C ATOM 475 CZ TYR A 44 4.560 -3.951 -3.512 1.00 1.27 C ATOM 476 OH TYR A 44 4.150 -4.865 -4.434 1.00 1.44 O ATOM 0 H TYR A 44 6.900 -0.005 1.479 1.00 0.98 H new ATOM 0 HA TYR A 44 4.307 -0.163 0.196 1.00 1.01 H new ATOM 0 HB2 TYR A 44 6.326 -0.205 -1.105 1.00 0.97 H new ATOM 0 HB3 TYR A 44 6.971 -1.542 -0.173 1.00 0.97 H new ATOM 0 HD1 TYR A 44 5.926 -3.834 -0.379 1.00 2.07 H new ATOM 0 HD2 TYR A 44 4.923 -0.582 -3.024 1.00 1.92 H new ATOM 0 HE1 TYR A 44 5.087 -5.462 -2.058 1.00 2.17 H new ATOM 0 HE2 TYR A 44 4.117 -2.213 -4.724 1.00 1.96 H new ATOM 0 HH TYR A 44 3.830 -4.400 -5.235 1.00 1.44 H new ATOM 486 N LYS A 45 5.211 -2.614 2.222 1.00 1.07 N ATOM 487 CA LYS A 45 4.679 -3.710 3.045 1.00 1.13 C ATOM 488 C LYS A 45 3.633 -3.224 4.058 1.00 1.24 C ATOM 489 O LYS A 45 2.627 -3.900 4.240 1.00 1.35 O ATOM 490 CB LYS A 45 5.852 -4.466 3.694 1.00 1.15 C ATOM 491 CG LYS A 45 5.394 -5.722 4.453 1.00 1.78 C ATOM 492 CD LYS A 45 6.600 -6.577 4.868 1.00 1.67 C ATOM 493 CE LYS A 45 6.212 -7.701 5.839 1.00 3.08 C ATOM 494 NZ LYS A 45 5.371 -8.738 5.198 1.00 3.31 N ATOM 0 H LYS A 45 6.190 -2.405 2.417 1.00 1.07 H new ATOM 0 HA LYS A 45 4.138 -4.408 2.407 1.00 1.13 H new ATOM 0 HB2 LYS A 45 6.567 -4.752 2.923 1.00 1.15 H new ATOM 0 HB3 LYS A 45 6.374 -3.800 4.381 1.00 1.15 H new ATOM 0 HG2 LYS A 45 4.827 -5.432 5.337 1.00 1.78 H new ATOM 0 HG3 LYS A 45 4.725 -6.309 3.824 1.00 1.78 H new ATOM 0 HD2 LYS A 45 7.058 -7.010 3.979 1.00 1.67 H new ATOM 0 HD3 LYS A 45 7.351 -5.940 5.335 1.00 1.67 H new ATOM 0 HE2 LYS A 45 7.116 -8.164 6.234 1.00 3.08 H new ATOM 0 HE3 LYS A 45 5.675 -7.275 6.687 1.00 3.08 H new ATOM 0 HZ1 LYS A 45 5.136 -9.474 5.894 1.00 3.31 H new ATOM 0 HZ2 LYS A 45 4.495 -8.304 4.844 1.00 3.31 H new ATOM 0 HZ3 LYS A 45 5.891 -9.165 4.405 1.00 3.31 H new ATOM 508 N ASN A 46 3.786 -2.026 4.629 1.00 1.25 N ATOM 509 CA ASN A 46 2.752 -1.366 5.440 1.00 1.32 C ATOM 510 C ASN A 46 1.489 -1.108 4.604 1.00 1.36 C ATOM 511 O ASN A 46 0.380 -1.392 5.048 1.00 1.42 O ATOM 512 CB ASN A 46 3.269 -0.013 5.980 1.00 1.27 C ATOM 513 CG ASN A 46 4.536 -0.056 6.816 1.00 1.25 C ATOM 514 OD1 ASN A 46 4.913 -1.070 7.385 1.00 1.32 O ATOM 515 ND2 ASN A 46 5.217 1.064 6.904 1.00 1.20 N ATOM 0 H ASN A 46 4.642 -1.478 4.541 1.00 1.25 H new ATOM 0 HA ASN A 46 2.512 -2.028 6.272 1.00 1.32 H new ATOM 0 HB2 ASN A 46 3.443 0.649 5.132 1.00 1.27 H new ATOM 0 HB3 ASN A 46 2.479 0.439 6.580 1.00 1.27 H new ATOM 0 HD21 ASN A 46 6.075 1.097 7.454 1.00 1.20 H new ATOM 0 HD22 ASN A 46 4.887 1.901 6.422 1.00 1.20 H new ATOM 522 N CYS A 47 1.660 -0.625 3.370 1.00 1.37 N ATOM 523 CA CYS A 47 0.580 -0.352 2.427 1.00 1.42 C ATOM 524 C CYS A 47 -0.174 -1.638 2.059 1.00 1.40 C ATOM 525 O CYS A 47 -1.397 -1.701 2.199 1.00 1.64 O ATOM 526 CB CYS A 47 1.230 0.369 1.241 1.00 1.56 C ATOM 527 SG CYS A 47 0.223 0.782 -0.193 1.00 1.66 S ATOM 0 H CYS A 47 2.582 -0.408 2.992 1.00 1.37 H new ATOM 0 HA CYS A 47 -0.195 0.286 2.850 1.00 1.42 H new ATOM 0 HB2 CYS A 47 1.662 1.297 1.617 1.00 1.56 H new ATOM 0 HB3 CYS A 47 2.057 -0.250 0.894 1.00 1.56 H new ATOM 532 N ARG A 48 0.560 -2.708 1.725 1.00 1.25 N ATOM 533 CA ARG A 48 0.019 -4.061 1.528 1.00 1.29 C ATOM 534 C ARG A 48 -0.744 -4.549 2.759 1.00 1.16 C ATOM 535 O ARG A 48 -1.903 -4.933 2.627 1.00 1.10 O ATOM 536 CB ARG A 48 1.169 -5.033 1.198 1.00 1.57 C ATOM 537 CG ARG A 48 1.875 -4.760 -0.144 1.00 1.39 C ATOM 538 CD ARG A 48 1.337 -5.639 -1.280 1.00 1.69 C ATOM 539 NE ARG A 48 1.677 -7.062 -1.077 1.00 2.16 N ATOM 540 CZ ARG A 48 1.065 -8.106 -1.609 1.00 2.96 C ATOM 541 NH1 ARG A 48 0.008 -7.996 -2.355 1.00 3.53 N ATOM 542 NH2 ARG A 48 1.474 -9.320 -1.392 1.00 3.75 N ATOM 0 H ARG A 48 1.568 -2.657 1.581 1.00 1.25 H new ATOM 0 HA ARG A 48 -0.685 -4.027 0.697 1.00 1.29 H new ATOM 0 HB2 ARG A 48 1.908 -4.986 1.998 1.00 1.57 H new ATOM 0 HB3 ARG A 48 0.776 -6.050 1.186 1.00 1.57 H new ATOM 0 HG2 ARG A 48 1.749 -3.711 -0.410 1.00 1.39 H new ATOM 0 HG3 ARG A 48 2.945 -4.934 -0.030 1.00 1.39 H new ATOM 0 HD2 ARG A 48 0.254 -5.529 -1.344 1.00 1.69 H new ATOM 0 HD3 ARG A 48 1.749 -5.298 -2.230 1.00 1.69 H new ATOM 0 HE ARG A 48 2.466 -7.260 -0.462 1.00 2.16 H new ATOM 0 HH11 ARG A 48 -0.384 -7.075 -2.552 1.00 3.53 H new ATOM 0 HH12 ARG A 48 -0.431 -8.831 -2.744 1.00 3.53 H new ATOM 0 HH21 ARG A 48 2.287 -9.486 -0.798 1.00 3.75 H new ATOM 0 HH22 ARG A 48 0.983 -10.107 -1.815 1.00 3.75 H new ATOM 556 N ARG A 49 -0.126 -4.515 3.945 1.00 1.16 N ATOM 557 CA ARG A 49 -0.687 -5.020 5.211 1.00 1.10 C ATOM 558 C ARG A 49 -1.960 -4.279 5.617 1.00 1.04 C ATOM 559 O ARG A 49 -2.948 -4.941 5.931 1.00 0.90 O ATOM 560 CB ARG A 49 0.408 -4.957 6.292 1.00 1.15 C ATOM 561 CG ARG A 49 -0.018 -5.552 7.642 1.00 1.17 C ATOM 562 CD ARG A 49 1.167 -5.555 8.616 1.00 1.34 C ATOM 563 NE ARG A 49 0.769 -6.085 9.931 1.00 2.26 N ATOM 564 CZ ARG A 49 1.443 -6.916 10.702 1.00 3.28 C ATOM 565 NH1 ARG A 49 2.639 -7.345 10.433 1.00 3.56 N ATOM 566 NH2 ARG A 49 0.906 -7.333 11.807 1.00 4.75 N ATOM 0 H ARG A 49 0.809 -4.123 4.058 1.00 1.16 H new ATOM 0 HA ARG A 49 -0.996 -6.057 5.081 1.00 1.10 H new ATOM 0 HB2 ARG A 49 1.290 -5.488 5.934 1.00 1.15 H new ATOM 0 HB3 ARG A 49 0.700 -3.917 6.440 1.00 1.15 H new ATOM 0 HG2 ARG A 49 -0.841 -4.972 8.060 1.00 1.17 H new ATOM 0 HG3 ARG A 49 -0.385 -6.569 7.500 1.00 1.17 H new ATOM 0 HD2 ARG A 49 1.977 -6.159 8.207 1.00 1.34 H new ATOM 0 HD3 ARG A 49 1.551 -4.541 8.730 1.00 1.34 H new ATOM 0 HE ARG A 49 -0.134 -5.773 10.287 1.00 2.26 H new ATOM 0 HH11 ARG A 49 3.111 -7.039 9.582 1.00 3.56 H new ATOM 0 HH12 ARG A 49 3.106 -7.988 11.072 1.00 3.56 H new ATOM 0 HH21 ARG A 49 -0.028 -7.018 12.071 1.00 4.75 H new ATOM 0 HH22 ARG A 49 1.417 -7.976 12.412 1.00 4.75 H new ATOM 580 N PHE A 50 -1.974 -2.949 5.515 1.00 1.14 N ATOM 581 CA PHE A 50 -3.165 -2.123 5.728 1.00 1.04 C ATOM 582 C PHE A 50 -4.307 -2.535 4.807 1.00 0.94 C ATOM 583 O PHE A 50 -5.387 -2.903 5.264 1.00 0.81 O ATOM 584 CB PHE A 50 -2.843 -0.649 5.455 1.00 1.12 C ATOM 585 CG PHE A 50 -4.070 0.239 5.581 1.00 0.94 C ATOM 586 CD1 PHE A 50 -4.598 0.544 6.850 1.00 2.42 C ATOM 587 CD2 PHE A 50 -4.741 0.680 4.424 1.00 1.57 C ATOM 588 CE1 PHE A 50 -5.786 1.290 6.959 1.00 2.28 C ATOM 589 CE2 PHE A 50 -5.933 1.416 4.531 1.00 1.64 C ATOM 590 CZ PHE A 50 -6.454 1.722 5.800 1.00 0.66 C ATOM 0 H PHE A 50 -1.144 -2.406 5.278 1.00 1.14 H new ATOM 0 HA PHE A 50 -3.471 -2.265 6.765 1.00 1.04 H new ATOM 0 HB2 PHE A 50 -2.078 -0.310 6.154 1.00 1.12 H new ATOM 0 HB3 PHE A 50 -2.426 -0.549 4.453 1.00 1.12 H new ATOM 0 HD1 PHE A 50 -4.090 0.205 7.741 1.00 2.42 H new ATOM 0 HD2 PHE A 50 -4.337 0.451 3.449 1.00 1.57 H new ATOM 0 HE1 PHE A 50 -6.185 1.531 7.933 1.00 2.28 H new ATOM 0 HE2 PHE A 50 -6.448 1.746 3.641 1.00 1.64 H new ATOM 0 HZ PHE A 50 -7.369 2.290 5.885 1.00 0.66 H new ATOM 600 N TRP A 51 -4.064 -2.505 3.498 1.00 1.03 N ATOM 601 CA TRP A 51 -5.122 -2.797 2.531 1.00 0.99 C ATOM 602 C TRP A 51 -5.592 -4.266 2.612 1.00 0.92 C ATOM 603 O TRP A 51 -6.780 -4.528 2.438 1.00 0.83 O ATOM 604 CB TRP A 51 -4.703 -2.313 1.135 1.00 1.10 C ATOM 605 CG TRP A 51 -4.773 -0.815 0.929 1.00 1.03 C ATOM 606 CD1 TRP A 51 -3.727 0.031 0.742 1.00 1.07 C ATOM 607 CD2 TRP A 51 -5.958 0.052 0.929 1.00 0.93 C ATOM 608 NE1 TRP A 51 -4.183 1.317 0.531 1.00 1.01 N ATOM 609 CE2 TRP A 51 -5.542 1.399 0.697 1.00 0.92 C ATOM 610 CE3 TRP A 51 -7.342 -0.154 1.137 1.00 0.86 C ATOM 611 CZ2 TRP A 51 -6.432 2.480 0.685 1.00 0.86 C ATOM 612 CZ3 TRP A 51 -8.245 0.930 1.143 1.00 0.80 C ATOM 613 CH2 TRP A 51 -7.793 2.244 0.929 1.00 0.80 C ATOM 0 H TRP A 51 -3.157 -2.285 3.086 1.00 1.03 H new ATOM 0 HA TRP A 51 -6.019 -2.231 2.784 1.00 0.99 H new ATOM 0 HB2 TRP A 51 -3.682 -2.643 0.944 1.00 1.10 H new ATOM 0 HB3 TRP A 51 -5.339 -2.797 0.393 1.00 1.10 H new ATOM 0 HD1 TRP A 51 -2.687 -0.261 0.756 1.00 1.07 H new ATOM 0 HE1 TRP A 51 -3.585 2.106 0.283 1.00 1.01 H new ATOM 0 HE3 TRP A 51 -7.713 -1.156 1.294 1.00 0.86 H new ATOM 0 HZ2 TRP A 51 -6.076 3.481 0.491 1.00 0.86 H new ATOM 0 HZ3 TRP A 51 -9.296 0.748 1.314 1.00 0.80 H new ATOM 0 HH2 TRP A 51 -8.491 3.068 0.952 1.00 0.80 H new ATOM 624 N ASN A 52 -4.733 -5.210 3.021 1.00 0.97 N ATOM 625 CA ASN A 52 -5.108 -6.588 3.362 1.00 0.89 C ATOM 626 C ASN A 52 -5.953 -6.681 4.659 1.00 0.81 C ATOM 627 O ASN A 52 -6.876 -7.501 4.735 1.00 0.76 O ATOM 628 CB ASN A 52 -3.817 -7.430 3.425 1.00 0.93 C ATOM 629 CG ASN A 52 -3.415 -7.983 2.064 1.00 1.09 C ATOM 630 OD1 ASN A 52 -3.633 -9.141 1.735 1.00 2.14 O ATOM 631 ND2 ASN A 52 -2.837 -7.172 1.213 1.00 1.64 N ATOM 0 H ASN A 52 -3.734 -5.032 3.126 1.00 0.97 H new ATOM 0 HA ASN A 52 -5.764 -6.987 2.589 1.00 0.89 H new ATOM 0 HB2 ASN A 52 -3.006 -6.817 3.819 1.00 0.93 H new ATOM 0 HB3 ASN A 52 -3.959 -8.256 4.122 1.00 0.93 H new ATOM 0 HD21 ASN A 52 -2.574 -7.508 0.287 1.00 1.64 H new ATOM 0 HD22 ASN A 52 -2.650 -6.204 1.477 1.00 1.64 H new ATOM 638 N SER A 53 -5.717 -5.814 5.652 1.00 0.79 N ATOM 639 CA SER A 53 -6.606 -5.661 6.813 1.00 0.69 C ATOM 640 C SER A 53 -7.971 -5.100 6.410 1.00 0.59 C ATOM 641 O SER A 53 -8.990 -5.639 6.834 1.00 0.51 O ATOM 642 CB SER A 53 -5.980 -4.782 7.906 1.00 0.73 C ATOM 643 OG SER A 53 -4.752 -5.315 8.381 1.00 1.38 O ATOM 0 H SER A 53 -4.904 -5.198 5.674 1.00 0.79 H new ATOM 0 HA SER A 53 -6.750 -6.661 7.222 1.00 0.69 H new ATOM 0 HB2 SER A 53 -5.812 -3.780 7.512 1.00 0.73 H new ATOM 0 HB3 SER A 53 -6.678 -4.685 8.737 1.00 0.73 H new ATOM 0 HG SER A 53 -4.075 -5.255 7.675 1.00 1.38 H new ATOM 649 N ILE A 54 -8.030 -4.096 5.525 1.00 0.65 N ATOM 650 CA ILE A 54 -9.298 -3.563 5.001 1.00 0.65 C ATOM 651 C ILE A 54 -10.082 -4.666 4.282 1.00 0.64 C ATOM 652 O ILE A 54 -11.274 -4.836 4.533 1.00 0.64 O ATOM 653 CB ILE A 54 -9.023 -2.342 4.095 1.00 0.77 C ATOM 654 CG1 ILE A 54 -8.438 -1.152 4.888 1.00 0.77 C ATOM 655 CG2 ILE A 54 -10.273 -1.902 3.316 1.00 0.82 C ATOM 656 CD1 ILE A 54 -9.359 -0.555 5.963 1.00 0.63 C ATOM 0 H ILE A 54 -7.203 -3.630 5.152 1.00 0.65 H new ATOM 0 HA ILE A 54 -9.921 -3.219 5.827 1.00 0.65 H new ATOM 0 HB ILE A 54 -8.275 -2.667 3.371 1.00 0.77 H new ATOM 0 HG12 ILE A 54 -7.514 -1.476 5.366 1.00 0.77 H new ATOM 0 HG13 ILE A 54 -8.173 -0.364 4.183 1.00 0.77 H new ATOM 0 HG21 ILE A 54 -10.029 -1.041 2.694 1.00 0.82 H new ATOM 0 HG22 ILE A 54 -10.615 -2.721 2.684 1.00 0.82 H new ATOM 0 HG23 ILE A 54 -11.062 -1.631 4.017 1.00 0.82 H new ATOM 0 HD11 ILE A 54 -8.851 0.273 6.458 1.00 0.63 H new ATOM 0 HD12 ILE A 54 -10.275 -0.192 5.497 1.00 0.63 H new ATOM 0 HD13 ILE A 54 -9.605 -1.322 6.698 1.00 0.63 H new ATOM 668 N VAL A 55 -9.406 -5.490 3.480 1.00 0.67 N ATOM 669 CA VAL A 55 -9.983 -6.697 2.871 1.00 0.68 C ATOM 670 C VAL A 55 -10.575 -7.635 3.928 1.00 0.63 C ATOM 671 O VAL A 55 -11.743 -7.996 3.803 1.00 0.64 O ATOM 672 CB VAL A 55 -8.932 -7.388 1.986 1.00 0.77 C ATOM 673 CG1 VAL A 55 -9.288 -8.818 1.577 1.00 0.80 C ATOM 674 CG2 VAL A 55 -8.733 -6.561 0.718 1.00 0.86 C ATOM 0 H VAL A 55 -8.429 -5.339 3.230 1.00 0.67 H new ATOM 0 HA VAL A 55 -10.817 -6.406 2.232 1.00 0.68 H new ATOM 0 HB VAL A 55 -8.026 -7.452 2.588 1.00 0.77 H new ATOM 0 HG11 VAL A 55 -8.492 -9.227 0.955 1.00 0.80 H new ATOM 0 HG12 VAL A 55 -9.404 -9.433 2.469 1.00 0.80 H new ATOM 0 HG13 VAL A 55 -10.222 -8.814 1.015 1.00 0.80 H new ATOM 0 HG21 VAL A 55 -7.989 -7.042 0.083 1.00 0.86 H new ATOM 0 HG22 VAL A 55 -9.678 -6.488 0.179 1.00 0.86 H new ATOM 0 HG23 VAL A 55 -8.390 -5.562 0.986 1.00 0.86 H new ATOM 684 N MET A 56 -9.862 -7.955 5.015 1.00 0.63 N ATOM 685 CA MET A 56 -10.422 -8.780 6.108 1.00 0.64 C ATOM 686 C MET A 56 -11.631 -8.149 6.828 1.00 0.63 C ATOM 687 O MET A 56 -12.562 -8.863 7.210 1.00 0.72 O ATOM 688 CB MET A 56 -9.323 -9.117 7.129 1.00 0.68 C ATOM 689 CG MET A 56 -8.348 -10.178 6.604 1.00 0.78 C ATOM 690 SD MET A 56 -9.092 -11.807 6.308 1.00 1.36 S ATOM 691 CE MET A 56 -7.655 -12.679 5.627 1.00 1.90 C ATOM 0 H MET A 56 -8.898 -7.659 5.167 1.00 0.63 H new ATOM 0 HA MET A 56 -10.797 -9.686 5.633 1.00 0.64 H new ATOM 0 HB2 MET A 56 -8.771 -8.211 7.378 1.00 0.68 H new ATOM 0 HB3 MET A 56 -9.783 -9.473 8.051 1.00 0.68 H new ATOM 0 HG2 MET A 56 -7.908 -9.820 5.673 1.00 0.78 H new ATOM 0 HG3 MET A 56 -7.533 -10.290 7.319 1.00 0.78 H new ATOM 0 HE1 MET A 56 -7.933 -13.705 5.386 1.00 1.90 H new ATOM 0 HE2 MET A 56 -7.317 -12.173 4.723 1.00 1.90 H new ATOM 0 HE3 MET A 56 -6.850 -12.684 6.362 1.00 1.90 H new ATOM 701 N GLN A 57 -11.665 -6.821 6.974 1.00 0.57 N ATOM 702 CA GLN A 57 -12.789 -6.094 7.589 1.00 0.60 C ATOM 703 C GLN A 57 -13.985 -5.910 6.633 1.00 0.68 C ATOM 704 O GLN A 57 -15.112 -5.701 7.088 1.00 0.85 O ATOM 705 CB GLN A 57 -12.320 -4.739 8.161 1.00 0.60 C ATOM 706 CG GLN A 57 -11.205 -4.798 9.226 1.00 0.64 C ATOM 707 CD GLN A 57 -11.438 -5.850 10.304 1.00 0.77 C ATOM 708 OE1 GLN A 57 -12.434 -5.820 11.015 1.00 1.41 O ATOM 709 NE2 GLN A 57 -10.568 -6.829 10.445 1.00 0.98 N ATOM 0 H GLN A 57 -10.907 -6.211 6.667 1.00 0.57 H new ATOM 0 HA GLN A 57 -13.148 -6.714 8.410 1.00 0.60 H new ATOM 0 HB2 GLN A 57 -11.971 -4.120 7.334 1.00 0.60 H new ATOM 0 HB3 GLN A 57 -13.182 -4.234 8.596 1.00 0.60 H new ATOM 0 HG2 GLN A 57 -10.255 -5.001 8.732 1.00 0.64 H new ATOM 0 HG3 GLN A 57 -11.115 -3.820 9.699 1.00 0.64 H new ATOM 0 HE21 GLN A 57 -9.736 -6.860 9.856 1.00 0.98 H new ATOM 0 HE22 GLN A 57 -10.727 -7.556 11.143 1.00 0.98 H new ATOM 718 N ARG A 58 -13.773 -6.023 5.315 1.00 0.67 N ATOM 719 CA ARG A 58 -14.829 -6.036 4.279 1.00 0.88 C ATOM 720 C ARG A 58 -15.342 -7.444 3.977 1.00 0.93 C ATOM 721 O ARG A 58 -16.533 -7.624 3.705 1.00 1.12 O ATOM 722 CB ARG A 58 -14.315 -5.309 3.021 1.00 1.02 C ATOM 723 CG ARG A 58 -14.102 -3.811 3.304 1.00 1.31 C ATOM 724 CD ARG A 58 -13.460 -3.052 2.132 1.00 1.57 C ATOM 725 NE ARG A 58 -14.447 -2.610 1.131 1.00 1.56 N ATOM 726 CZ ARG A 58 -15.295 -1.611 1.289 1.00 1.73 C ATOM 727 NH1 ARG A 58 -15.345 -0.867 2.352 1.00 2.38 N ATOM 728 NH2 ARG A 58 -16.144 -1.316 0.359 1.00 2.33 N ATOM 0 H ARG A 58 -12.836 -6.111 4.923 1.00 0.67 H new ATOM 0 HA ARG A 58 -15.697 -5.499 4.661 1.00 0.88 H new ATOM 0 HB2 ARG A 58 -13.378 -5.759 2.693 1.00 1.02 H new ATOM 0 HB3 ARG A 58 -15.029 -5.432 2.207 1.00 1.02 H new ATOM 0 HG2 ARG A 58 -15.063 -3.354 3.540 1.00 1.31 H new ATOM 0 HG3 ARG A 58 -13.471 -3.702 4.186 1.00 1.31 H new ATOM 0 HD2 ARG A 58 -12.925 -2.184 2.517 1.00 1.57 H new ATOM 0 HD3 ARG A 58 -12.722 -3.693 1.650 1.00 1.57 H new ATOM 0 HE ARG A 58 -14.477 -3.116 0.246 1.00 1.56 H new ATOM 0 HH11 ARG A 58 -14.704 -1.040 3.127 1.00 2.38 H new ATOM 0 HH12 ARG A 58 -16.025 -0.109 2.412 1.00 2.38 H new ATOM 0 HH21 ARG A 58 -16.162 -1.857 -0.505 1.00 2.33 H new ATOM 0 HH22 ARG A 58 -16.796 -0.542 0.490 1.00 2.33 H new ATOM 742 N ARG A 59 -14.486 -8.459 4.116 1.00 0.81 N ATOM 743 CA ARG A 59 -14.799 -9.881 3.879 1.00 0.89 C ATOM 744 C ARG A 59 -15.821 -10.459 4.860 1.00 1.11 C ATOM 745 O ARG A 59 -16.486 -11.432 4.510 1.00 1.26 O ATOM 746 CB ARG A 59 -13.490 -10.691 3.774 1.00 0.80 C ATOM 747 CG ARG A 59 -13.720 -12.172 3.425 1.00 0.92 C ATOM 748 CD ARG A 59 -12.464 -12.826 2.837 1.00 0.99 C ATOM 749 NE ARG A 59 -12.699 -14.244 2.503 1.00 1.39 N ATOM 750 CZ ARG A 59 -12.004 -14.974 1.645 1.00 1.82 C ATOM 751 NH1 ARG A 59 -11.030 -14.509 0.922 1.00 1.91 N ATOM 752 NH2 ARG A 59 -12.262 -16.233 1.489 1.00 2.41 N ATOM 0 H ARG A 59 -13.519 -8.314 4.407 1.00 0.81 H new ATOM 0 HA ARG A 59 -15.312 -9.961 2.921 1.00 0.89 H new ATOM 0 HB2 ARG A 59 -12.851 -10.240 3.014 1.00 0.80 H new ATOM 0 HB3 ARG A 59 -12.953 -10.627 4.721 1.00 0.80 H new ATOM 0 HG2 ARG A 59 -14.024 -12.713 4.321 1.00 0.92 H new ATOM 0 HG3 ARG A 59 -14.539 -12.253 2.710 1.00 0.92 H new ATOM 0 HD2 ARG A 59 -12.157 -12.286 1.941 1.00 0.99 H new ATOM 0 HD3 ARG A 59 -11.644 -12.750 3.552 1.00 0.99 H new ATOM 0 HE ARG A 59 -13.473 -14.707 2.980 1.00 1.39 H new ATOM 0 HH11 ARG A 59 -10.762 -13.528 0.998 1.00 1.91 H new ATOM 0 HH12 ARG A 59 -10.533 -15.125 0.278 1.00 1.91 H new ATOM 0 HH21 ARG A 59 -13.007 -16.672 2.030 1.00 2.41 H new ATOM 0 HH22 ARG A 59 -11.720 -16.786 0.825 1.00 2.41 H new ATOM 766 N LYS A 60 -16.085 -9.797 5.996 1.00 1.24 N ATOM 767 CA LYS A 60 -17.216 -10.117 6.897 1.00 1.64 C ATOM 768 C LYS A 60 -18.593 -10.199 6.212 1.00 1.87 C ATOM 769 O LYS A 60 -19.489 -10.875 6.717 1.00 2.17 O ATOM 770 CB LYS A 60 -17.254 -9.108 8.057 1.00 1.86 C ATOM 771 CG LYS A 60 -17.915 -7.753 7.742 1.00 1.94 C ATOM 772 CD LYS A 60 -17.963 -6.908 9.017 1.00 2.20 C ATOM 773 CE LYS A 60 -18.733 -5.607 8.788 1.00 2.40 C ATOM 774 NZ LYS A 60 -18.855 -4.811 10.032 1.00 2.75 N ATOM 0 H LYS A 60 -15.517 -9.016 6.324 1.00 1.24 H new ATOM 0 HA LYS A 60 -17.025 -11.125 7.265 1.00 1.64 H new ATOM 0 HB2 LYS A 60 -17.783 -9.564 8.894 1.00 1.86 H new ATOM 0 HB3 LYS A 60 -16.232 -8.925 8.388 1.00 1.86 H new ATOM 0 HG2 LYS A 60 -17.353 -7.232 6.967 1.00 1.94 H new ATOM 0 HG3 LYS A 60 -18.922 -7.907 7.356 1.00 1.94 H new ATOM 0 HD2 LYS A 60 -18.436 -7.478 9.817 1.00 2.20 H new ATOM 0 HD3 LYS A 60 -16.949 -6.681 9.344 1.00 2.20 H new ATOM 0 HE2 LYS A 60 -18.226 -5.015 8.026 1.00 2.40 H new ATOM 0 HE3 LYS A 60 -19.727 -5.836 8.405 1.00 2.40 H new ATOM 0 HZ1 LYS A 60 -19.383 -3.937 9.835 1.00 2.75 H new ATOM 0 HZ2 LYS A 60 -19.361 -5.366 10.751 1.00 2.75 H new ATOM 0 HZ3 LYS A 60 -17.907 -4.570 10.384 1.00 2.75 H new ATOM 788 N ASN A 61 -18.758 -9.512 5.075 1.00 1.83 N ATOM 789 CA ASN A 61 -19.976 -9.526 4.264 1.00 2.17 C ATOM 790 C ASN A 61 -20.054 -10.732 3.295 1.00 1.83 C ATOM 791 O ASN A 61 -21.144 -11.106 2.875 1.00 2.00 O ATOM 792 CB ASN A 61 -20.068 -8.204 3.478 1.00 2.69 C ATOM 793 CG ASN A 61 -20.089 -6.945 4.327 1.00 3.36 C ATOM 794 OD1 ASN A 61 -21.132 -6.413 4.673 1.00 4.08 O ATOM 795 ND2 ASN A 61 -18.937 -6.402 4.637 1.00 3.37 N ATOM 0 H ASN A 61 -18.027 -8.916 4.686 1.00 1.83 H new ATOM 0 HA ASN A 61 -20.821 -9.630 4.944 1.00 2.17 H new ATOM 0 HB2 ASN A 61 -19.221 -8.147 2.794 1.00 2.69 H new ATOM 0 HB3 ASN A 61 -20.970 -8.226 2.867 1.00 2.69 H new ATOM 0 HD21 ASN A 61 -18.910 -5.532 5.169 1.00 3.37 H new ATOM 0 HD22 ASN A 61 -18.068 -6.849 4.346 1.00 3.37 H new ATOM 802 N GLY A 62 -18.916 -11.314 2.897 1.00 1.45 N ATOM 803 CA GLY A 62 -18.839 -12.543 2.086 1.00 1.25 C ATOM 804 C GLY A 62 -19.314 -12.429 0.627 1.00 1.49 C ATOM 805 O GLY A 62 -19.599 -13.447 0.002 1.00 1.51 O ATOM 0 H GLY A 62 -17.999 -10.937 3.134 1.00 1.45 H new ATOM 0 HA2 GLY A 62 -17.805 -12.886 2.083 1.00 1.25 H new ATOM 0 HA3 GLY A 62 -19.430 -13.315 2.579 1.00 1.25 H new ATOM 809 N VAL A 63 -19.462 -11.209 0.094 1.00 1.79 N ATOM 810 CA VAL A 63 -20.255 -10.938 -1.123 1.00 2.29 C ATOM 811 C VAL A 63 -19.585 -9.987 -2.128 1.00 2.32 C ATOM 812 O VAL A 63 -19.294 -10.382 -3.258 1.00 3.06 O ATOM 813 CB VAL A 63 -21.664 -10.476 -0.692 1.00 2.64 C ATOM 814 CG1 VAL A 63 -21.670 -9.234 0.218 1.00 2.41 C ATOM 815 CG2 VAL A 63 -22.559 -10.216 -1.899 1.00 3.24 C ATOM 0 H VAL A 63 -19.034 -10.374 0.494 1.00 1.79 H new ATOM 0 HA VAL A 63 -20.331 -11.866 -1.690 1.00 2.29 H new ATOM 0 HB VAL A 63 -22.058 -11.306 -0.105 1.00 2.64 H new ATOM 0 HG11 VAL A 63 -22.697 -8.976 0.475 1.00 2.41 H new ATOM 0 HG12 VAL A 63 -21.111 -9.448 1.129 1.00 2.41 H new ATOM 0 HG13 VAL A 63 -21.206 -8.398 -0.305 1.00 2.41 H new ATOM 0 HG21 VAL A 63 -23.543 -9.893 -1.559 1.00 3.24 H new ATOM 0 HG22 VAL A 63 -22.115 -9.438 -2.520 1.00 3.24 H new ATOM 0 HG23 VAL A 63 -22.659 -11.132 -2.482 1.00 3.24 H new ATOM 825 N LYS A 64 -19.324 -8.738 -1.727 1.00 1.78 N ATOM 826 CA LYS A 64 -18.707 -7.687 -2.556 1.00 1.81 C ATOM 827 C LYS A 64 -17.274 -8.038 -2.996 1.00 1.69 C ATOM 828 O LYS A 64 -16.641 -8.887 -2.360 1.00 1.52 O ATOM 829 CB LYS A 64 -18.740 -6.345 -1.790 1.00 1.80 C ATOM 830 CG LYS A 64 -18.114 -6.402 -0.380 1.00 1.45 C ATOM 831 CD LYS A 64 -17.591 -5.039 0.100 1.00 1.40 C ATOM 832 CE LYS A 64 -18.594 -3.871 0.007 1.00 1.71 C ATOM 833 NZ LYS A 64 -19.608 -3.873 1.092 1.00 1.88 N ATOM 0 H LYS A 64 -19.543 -8.416 -0.784 1.00 1.78 H new ATOM 0 HA LYS A 64 -19.290 -7.601 -3.473 1.00 1.81 H new ATOM 0 HB2 LYS A 64 -18.215 -5.592 -2.378 1.00 1.80 H new ATOM 0 HB3 LYS A 64 -19.775 -6.016 -1.702 1.00 1.80 H new ATOM 0 HG2 LYS A 64 -18.858 -6.769 0.327 1.00 1.45 H new ATOM 0 HG3 LYS A 64 -17.294 -7.120 -0.381 1.00 1.45 H new ATOM 0 HD2 LYS A 64 -17.270 -5.138 1.137 1.00 1.40 H new ATOM 0 HD3 LYS A 64 -16.707 -4.783 -0.484 1.00 1.40 H new ATOM 0 HE2 LYS A 64 -18.046 -2.929 0.034 1.00 1.71 H new ATOM 0 HE3 LYS A 64 -19.103 -3.916 -0.956 1.00 1.71 H new ATOM 0 HZ1 LYS A 64 -20.249 -3.063 0.970 1.00 1.88 H new ATOM 0 HZ2 LYS A 64 -20.155 -4.757 1.054 1.00 1.88 H new ATOM 0 HZ3 LYS A 64 -19.131 -3.801 2.013 1.00 1.88 H new ATOM 847 N PRO A 65 -16.706 -7.353 -4.007 1.00 1.82 N ATOM 848 CA PRO A 65 -15.254 -7.286 -4.145 1.00 1.73 C ATOM 849 C PRO A 65 -14.664 -6.668 -2.869 1.00 1.43 C ATOM 850 O PRO A 65 -14.983 -5.535 -2.499 1.00 1.40 O ATOM 851 CB PRO A 65 -14.999 -6.437 -5.395 1.00 1.99 C ATOM 852 CG PRO A 65 -16.231 -5.535 -5.476 1.00 2.11 C ATOM 853 CD PRO A 65 -17.342 -6.451 -4.962 1.00 2.06 C ATOM 0 HA PRO A 65 -14.779 -8.260 -4.262 1.00 1.73 H new ATOM 0 HB2 PRO A 65 -14.082 -5.855 -5.304 1.00 1.99 H new ATOM 0 HB3 PRO A 65 -14.897 -7.056 -6.286 1.00 1.99 H new ATOM 0 HG2 PRO A 65 -16.122 -4.643 -4.860 1.00 2.11 H new ATOM 0 HG3 PRO A 65 -16.421 -5.198 -6.495 1.00 2.11 H new ATOM 0 HD2 PRO A 65 -18.135 -5.874 -4.486 1.00 2.06 H new ATOM 0 HD3 PRO A 65 -17.799 -7.007 -5.780 1.00 2.06 H new ATOM 861 N PHE A 66 -13.852 -7.444 -2.156 1.00 1.23 N ATOM 862 CA PHE A 66 -13.270 -7.073 -0.868 1.00 0.96 C ATOM 863 C PHE A 66 -12.159 -6.042 -1.027 1.00 0.94 C ATOM 864 O PHE A 66 -12.112 -5.075 -0.270 1.00 0.84 O ATOM 865 CB PHE A 66 -12.719 -8.327 -0.183 1.00 0.90 C ATOM 866 CG PHE A 66 -13.691 -9.483 -0.031 1.00 0.92 C ATOM 867 CD1 PHE A 66 -15.020 -9.262 0.379 1.00 1.84 C ATOM 868 CD2 PHE A 66 -13.263 -10.791 -0.326 1.00 2.26 C ATOM 869 CE1 PHE A 66 -15.919 -10.338 0.472 1.00 1.88 C ATOM 870 CE2 PHE A 66 -14.159 -11.870 -0.220 1.00 2.29 C ATOM 871 CZ PHE A 66 -15.488 -11.643 0.173 1.00 1.05 C ATOM 0 H PHE A 66 -13.573 -8.375 -2.467 1.00 1.23 H new ATOM 0 HA PHE A 66 -14.053 -6.624 -0.257 1.00 0.96 H new ATOM 0 HB2 PHE A 66 -11.855 -8.676 -0.749 1.00 0.90 H new ATOM 0 HB3 PHE A 66 -12.359 -8.048 0.807 1.00 0.90 H new ATOM 0 HD1 PHE A 66 -15.349 -8.263 0.623 1.00 1.84 H new ATOM 0 HD2 PHE A 66 -12.243 -10.967 -0.635 1.00 2.26 H new ATOM 0 HE1 PHE A 66 -16.941 -10.163 0.773 1.00 1.88 H new ATOM 0 HE2 PHE A 66 -13.825 -12.873 -0.441 1.00 2.29 H new ATOM 0 HZ PHE A 66 -16.179 -12.470 0.246 1.00 1.05 H new ATOM 881 N MET A 67 -11.308 -6.231 -2.038 1.00 1.11 N ATOM 882 CA MET A 67 -10.392 -5.209 -2.552 1.00 1.20 C ATOM 883 C MET A 67 -11.197 -3.987 -3.032 1.00 1.25 C ATOM 884 O MET A 67 -11.873 -4.073 -4.065 1.00 1.45 O ATOM 885 CB MET A 67 -9.547 -5.788 -3.701 1.00 1.39 C ATOM 886 CG MET A 67 -8.323 -6.545 -3.182 1.00 1.40 C ATOM 887 SD MET A 67 -7.098 -5.469 -2.382 1.00 1.37 S ATOM 888 CE MET A 67 -5.913 -6.732 -1.862 1.00 1.45 C ATOM 0 H MET A 67 -11.235 -7.119 -2.534 1.00 1.11 H new ATOM 0 HA MET A 67 -9.718 -4.894 -1.756 1.00 1.20 H new ATOM 0 HB2 MET A 67 -10.161 -6.459 -4.301 1.00 1.39 H new ATOM 0 HB3 MET A 67 -9.223 -4.980 -4.357 1.00 1.39 H new ATOM 0 HG2 MET A 67 -8.649 -7.304 -2.471 1.00 1.40 H new ATOM 0 HG3 MET A 67 -7.849 -7.068 -4.012 1.00 1.40 H new ATOM 0 HE1 MET A 67 -5.332 -6.361 -1.018 1.00 1.45 H new ATOM 0 HE2 MET A 67 -6.449 -7.634 -1.565 1.00 1.45 H new ATOM 0 HE3 MET A 67 -5.242 -6.964 -2.689 1.00 1.45 H new ATOM 898 N PRO A 68 -11.159 -2.848 -2.315 1.00 1.10 N ATOM 899 CA PRO A 68 -12.081 -1.741 -2.550 1.00 1.12 C ATOM 900 C PRO A 68 -11.846 -1.063 -3.902 1.00 1.36 C ATOM 901 O PRO A 68 -10.708 -0.783 -4.282 1.00 1.48 O ATOM 902 CB PRO A 68 -11.888 -0.791 -1.365 1.00 0.92 C ATOM 903 CG PRO A 68 -10.462 -1.072 -0.898 1.00 0.87 C ATOM 904 CD PRO A 68 -10.299 -2.562 -1.176 1.00 0.95 C ATOM 0 HA PRO A 68 -13.113 -2.087 -2.609 1.00 1.12 H new ATOM 0 HB2 PRO A 68 -12.013 0.250 -1.663 1.00 0.92 H new ATOM 0 HB3 PRO A 68 -12.613 -0.986 -0.575 1.00 0.92 H new ATOM 0 HG2 PRO A 68 -9.733 -0.477 -1.447 1.00 0.87 H new ATOM 0 HG3 PRO A 68 -10.331 -0.842 0.159 1.00 0.87 H new ATOM 0 HD2 PRO A 68 -9.261 -2.807 -1.399 1.00 0.95 H new ATOM 0 HD3 PRO A 68 -10.588 -3.156 -0.309 1.00 0.95 H new ATOM 912 N THR A 69 -12.932 -0.770 -4.615 1.00 1.54 N ATOM 913 CA THR A 69 -12.919 -0.023 -5.877 1.00 1.79 C ATOM 914 C THR A 69 -12.579 1.452 -5.636 1.00 1.70 C ATOM 915 O THR A 69 -12.569 1.913 -4.496 1.00 1.47 O ATOM 916 CB THR A 69 -14.257 -0.181 -6.618 1.00 2.04 C ATOM 917 OG1 THR A 69 -15.318 0.346 -5.857 1.00 2.00 O ATOM 918 CG2 THR A 69 -14.597 -1.640 -6.925 1.00 2.17 C ATOM 0 H THR A 69 -13.869 -1.051 -4.327 1.00 1.54 H new ATOM 0 HA THR A 69 -12.138 -0.439 -6.514 1.00 1.79 H new ATOM 0 HB THR A 69 -14.136 0.363 -7.555 1.00 2.04 H new ATOM 0 HG1 THR A 69 -15.614 -0.321 -5.203 1.00 2.00 H new ATOM 0 HG21 THR A 69 -15.552 -1.689 -7.448 1.00 2.17 H new ATOM 0 HG22 THR A 69 -13.817 -2.071 -7.552 1.00 2.17 H new ATOM 0 HG23 THR A 69 -14.665 -2.202 -5.993 1.00 2.17 H new ATOM 926 N ALA A 70 -12.285 2.210 -6.689 1.00 1.90 N ATOM 927 CA ALA A 70 -11.652 3.537 -6.595 1.00 1.91 C ATOM 928 C ALA A 70 -12.313 4.522 -5.594 1.00 1.87 C ATOM 929 O ALA A 70 -11.614 5.124 -4.769 1.00 1.81 O ATOM 930 CB ALA A 70 -11.588 4.129 -8.007 1.00 2.08 C ATOM 0 H ALA A 70 -12.480 1.922 -7.648 1.00 1.90 H new ATOM 0 HA ALA A 70 -10.656 3.390 -6.178 1.00 1.91 H new ATOM 0 HB1 ALA A 70 -11.123 5.114 -7.968 1.00 2.08 H new ATOM 0 HB2 ALA A 70 -10.999 3.475 -8.649 1.00 2.08 H new ATOM 0 HB3 ALA A 70 -12.597 4.220 -8.409 1.00 2.08 H new ATOM 936 N ALA A 71 -13.648 4.637 -5.592 1.00 1.92 N ATOM 937 CA ALA A 71 -14.399 5.509 -4.678 1.00 1.92 C ATOM 938 C ALA A 71 -14.591 4.920 -3.266 1.00 1.64 C ATOM 939 O ALA A 71 -14.823 5.657 -2.304 1.00 1.49 O ATOM 940 CB ALA A 71 -15.757 5.809 -5.310 1.00 2.18 C ATOM 0 H ALA A 71 -14.246 4.119 -6.235 1.00 1.92 H new ATOM 0 HA ALA A 71 -13.813 6.417 -4.538 1.00 1.92 H new ATOM 0 HB1 ALA A 71 -16.332 6.456 -4.647 1.00 2.18 H new ATOM 0 HB2 ALA A 71 -15.610 6.309 -6.267 1.00 2.18 H new ATOM 0 HB3 ALA A 71 -16.299 4.877 -5.467 1.00 2.18 H new ATOM 946 N GLU A 72 -14.495 3.597 -3.122 1.00 1.58 N ATOM 947 CA GLU A 72 -14.472 2.892 -1.846 1.00 1.38 C ATOM 948 C GLU A 72 -13.118 3.156 -1.186 1.00 1.14 C ATOM 949 O GLU A 72 -13.056 3.704 -0.092 1.00 1.05 O ATOM 950 CB GLU A 72 -14.759 1.392 -2.044 1.00 1.40 C ATOM 951 CG GLU A 72 -16.130 1.177 -2.698 1.00 1.73 C ATOM 952 CD GLU A 72 -16.459 -0.300 -2.936 1.00 2.38 C ATOM 953 OE1 GLU A 72 -15.642 -1.013 -3.568 1.00 4.12 O ATOM 954 OE2 GLU A 72 -17.561 -0.745 -2.526 1.00 2.25 O ATOM 0 H GLU A 72 -14.429 2.967 -3.922 1.00 1.58 H new ATOM 0 HA GLU A 72 -15.259 3.258 -1.187 1.00 1.38 H new ATOM 0 HB2 GLU A 72 -13.982 0.948 -2.666 1.00 1.40 H new ATOM 0 HB3 GLU A 72 -14.727 0.882 -1.081 1.00 1.40 H new ATOM 0 HG2 GLU A 72 -16.901 1.617 -2.065 1.00 1.73 H new ATOM 0 HG3 GLU A 72 -16.159 1.707 -3.650 1.00 1.73 H new ATOM 961 N ARG A 73 -12.024 2.900 -1.916 1.00 1.14 N ATOM 962 CA ARG A 73 -10.646 3.253 -1.552 1.00 1.06 C ATOM 963 C ARG A 73 -10.540 4.731 -1.159 1.00 1.06 C ATOM 964 O ARG A 73 -9.894 5.049 -0.162 1.00 0.95 O ATOM 965 CB ARG A 73 -9.753 2.904 -2.758 1.00 1.19 C ATOM 966 CG ARG A 73 -8.247 2.983 -2.485 1.00 2.08 C ATOM 967 CD ARG A 73 -7.454 2.731 -3.779 1.00 2.24 C ATOM 968 NE ARG A 73 -6.010 2.973 -3.601 1.00 2.95 N ATOM 969 CZ ARG A 73 -5.397 4.138 -3.509 1.00 3.77 C ATOM 970 NH1 ARG A 73 -6.036 5.271 -3.573 1.00 4.62 N ATOM 971 NH2 ARG A 73 -4.110 4.156 -3.341 1.00 4.59 N ATOM 0 H ARG A 73 -12.078 2.421 -2.815 1.00 1.14 H new ATOM 0 HA ARG A 73 -10.319 2.691 -0.677 1.00 1.06 H new ATOM 0 HB2 ARG A 73 -9.995 1.895 -3.092 1.00 1.19 H new ATOM 0 HB3 ARG A 73 -9.995 3.579 -3.579 1.00 1.19 H new ATOM 0 HG2 ARG A 73 -7.995 3.964 -2.082 1.00 2.08 H new ATOM 0 HG3 ARG A 73 -7.968 2.247 -1.731 1.00 2.08 H new ATOM 0 HD2 ARG A 73 -7.611 1.703 -4.106 1.00 2.24 H new ATOM 0 HD3 ARG A 73 -7.835 3.378 -4.569 1.00 2.24 H new ATOM 0 HE ARG A 73 -5.417 2.145 -3.542 1.00 2.95 H new ATOM 0 HH11 ARG A 73 -7.048 5.279 -3.699 1.00 4.62 H new ATOM 0 HH12 ARG A 73 -5.524 6.150 -3.497 1.00 4.62 H new ATOM 0 HH21 ARG A 73 -3.591 3.280 -3.282 1.00 4.59 H new ATOM 0 HH22 ARG A 73 -3.618 5.046 -3.268 1.00 4.59 H new ATOM 985 N ASP A 74 -11.231 5.617 -1.879 1.00 1.20 N ATOM 986 CA ASP A 74 -11.273 7.046 -1.562 1.00 1.25 C ATOM 987 C ASP A 74 -12.017 7.367 -0.250 1.00 1.14 C ATOM 988 O ASP A 74 -11.464 8.072 0.599 1.00 1.04 O ATOM 989 CB ASP A 74 -11.878 7.825 -2.737 1.00 1.53 C ATOM 990 CG ASP A 74 -11.651 9.330 -2.577 1.00 1.84 C ATOM 991 OD1 ASP A 74 -10.469 9.745 -2.490 1.00 3.31 O ATOM 992 OD2 ASP A 74 -12.632 10.106 -2.529 1.00 1.67 O ATOM 0 H ASP A 74 -11.779 5.363 -2.701 1.00 1.20 H new ATOM 0 HA ASP A 74 -10.242 7.362 -1.402 1.00 1.25 H new ATOM 0 HB2 ASP A 74 -11.432 7.484 -3.671 1.00 1.53 H new ATOM 0 HB3 ASP A 74 -12.947 7.620 -2.801 1.00 1.53 H new ATOM 997 N GLU A 75 -13.234 6.838 -0.040 1.00 1.22 N ATOM 998 CA GLU A 75 -13.974 7.039 1.220 1.00 1.25 C ATOM 999 C GLU A 75 -13.285 6.393 2.434 1.00 1.07 C ATOM 1000 O GLU A 75 -13.440 6.873 3.558 1.00 1.12 O ATOM 1001 CB GLU A 75 -15.446 6.588 1.121 1.00 1.46 C ATOM 1002 CG GLU A 75 -15.688 5.071 1.152 1.00 1.40 C ATOM 1003 CD GLU A 75 -17.146 4.688 1.437 1.00 1.57 C ATOM 1004 OE1 GLU A 75 -17.562 4.662 2.621 1.00 1.71 O ATOM 1005 OE2 GLU A 75 -17.892 4.368 0.480 1.00 2.69 O ATOM 0 H GLU A 75 -13.728 6.267 -0.726 1.00 1.22 H new ATOM 0 HA GLU A 75 -13.968 8.117 1.384 1.00 1.25 H new ATOM 0 HB2 GLU A 75 -16.000 7.041 1.943 1.00 1.46 H new ATOM 0 HB3 GLU A 75 -15.866 6.984 0.196 1.00 1.46 H new ATOM 0 HG2 GLU A 75 -15.389 4.644 0.195 1.00 1.40 H new ATOM 0 HG3 GLU A 75 -15.048 4.625 1.913 1.00 1.40 H new ATOM 1012 N ILE A 76 -12.502 5.332 2.208 1.00 0.93 N ATOM 1013 CA ILE A 76 -11.725 4.625 3.230 1.00 0.77 C ATOM 1014 C ILE A 76 -10.498 5.457 3.625 1.00 0.69 C ATOM 1015 O ILE A 76 -10.271 5.680 4.813 1.00 0.74 O ATOM 1016 CB ILE A 76 -11.367 3.207 2.728 1.00 0.68 C ATOM 1017 CG1 ILE A 76 -12.634 2.322 2.612 1.00 0.88 C ATOM 1018 CG2 ILE A 76 -10.345 2.550 3.667 1.00 0.53 C ATOM 1019 CD1 ILE A 76 -12.516 1.195 1.575 1.00 0.94 C ATOM 0 H ILE A 76 -12.389 4.929 1.278 1.00 0.93 H new ATOM 0 HA ILE A 76 -12.318 4.498 4.135 1.00 0.77 H new ATOM 0 HB ILE A 76 -10.925 3.301 1.736 1.00 0.68 H new ATOM 0 HG12 ILE A 76 -12.849 1.884 3.587 1.00 0.88 H new ATOM 0 HG13 ILE A 76 -13.483 2.954 2.352 1.00 0.88 H new ATOM 0 HG21 ILE A 76 -10.103 1.552 3.301 1.00 0.53 H new ATOM 0 HG22 ILE A 76 -9.439 3.155 3.699 1.00 0.53 H new ATOM 0 HG23 ILE A 76 -10.767 2.476 4.669 1.00 0.53 H new ATOM 0 HD11 ILE A 76 -13.443 0.621 1.554 1.00 0.94 H new ATOM 0 HD12 ILE A 76 -12.333 1.625 0.590 1.00 0.94 H new ATOM 0 HD13 ILE A 76 -11.689 0.538 1.844 1.00 0.94 H new ATOM 1031 N LEU A 77 -9.753 6.010 2.661 1.00 0.67 N ATOM 1032 CA LEU A 77 -8.688 6.986 2.939 1.00 0.69 C ATOM 1033 C LEU A 77 -9.224 8.225 3.668 1.00 0.81 C ATOM 1034 O LEU A 77 -8.569 8.744 4.576 1.00 0.92 O ATOM 1035 CB LEU A 77 -8.021 7.403 1.623 1.00 0.74 C ATOM 1036 CG LEU A 77 -7.019 6.365 1.093 1.00 0.77 C ATOM 1037 CD1 LEU A 77 -6.685 6.718 -0.349 1.00 0.90 C ATOM 1038 CD2 LEU A 77 -5.718 6.338 1.904 1.00 0.84 C ATOM 0 H LEU A 77 -9.869 5.796 1.670 1.00 0.67 H new ATOM 0 HA LEU A 77 -7.958 6.510 3.594 1.00 0.69 H new ATOM 0 HB2 LEU A 77 -8.792 7.571 0.871 1.00 0.74 H new ATOM 0 HB3 LEU A 77 -7.506 8.353 1.770 1.00 0.74 H new ATOM 0 HG LEU A 77 -7.479 5.380 1.175 1.00 0.77 H new ATOM 0 HD11 LEU A 77 -5.974 5.993 -0.746 1.00 0.90 H new ATOM 0 HD12 LEU A 77 -7.595 6.699 -0.948 1.00 0.90 H new ATOM 0 HD13 LEU A 77 -6.246 7.715 -0.387 1.00 0.90 H new ATOM 0 HD21 LEU A 77 -5.045 5.588 1.488 1.00 0.84 H new ATOM 0 HD22 LEU A 77 -5.241 7.317 1.860 1.00 0.84 H new ATOM 0 HD23 LEU A 77 -5.941 6.089 2.942 1.00 0.84 H new ATOM 1050 N ARG A 78 -10.440 8.664 3.321 1.00 0.87 N ATOM 1051 CA ARG A 78 -11.161 9.742 4.025 1.00 1.05 C ATOM 1052 C ARG A 78 -11.567 9.323 5.445 1.00 1.16 C ATOM 1053 O ARG A 78 -11.477 10.129 6.367 1.00 1.29 O ATOM 1054 CB ARG A 78 -12.368 10.232 3.198 1.00 1.18 C ATOM 1055 CG ARG A 78 -11.937 11.029 1.953 1.00 1.20 C ATOM 1056 CD ARG A 78 -13.079 11.246 0.946 1.00 1.52 C ATOM 1057 NE ARG A 78 -12.600 11.915 -0.284 1.00 2.49 N ATOM 1058 CZ ARG A 78 -12.413 13.211 -0.465 1.00 3.11 C ATOM 1059 NH1 ARG A 78 -12.809 14.115 0.380 1.00 3.30 N ATOM 1060 NH2 ARG A 78 -11.815 13.676 -1.518 1.00 4.47 N ATOM 0 H ARG A 78 -10.961 8.278 2.534 1.00 0.87 H new ATOM 0 HA ARG A 78 -10.476 10.583 4.133 1.00 1.05 H new ATOM 0 HB2 ARG A 78 -12.966 9.375 2.889 1.00 1.18 H new ATOM 0 HB3 ARG A 78 -13.005 10.856 3.824 1.00 1.18 H new ATOM 0 HG2 ARG A 78 -11.549 11.998 2.267 1.00 1.20 H new ATOM 0 HG3 ARG A 78 -11.120 10.504 1.458 1.00 1.20 H new ATOM 0 HD2 ARG A 78 -13.525 10.285 0.688 1.00 1.52 H new ATOM 0 HD3 ARG A 78 -13.862 11.848 1.407 1.00 1.52 H new ATOM 0 HE ARG A 78 -12.391 11.310 -1.079 1.00 2.49 H new ATOM 0 HH11 ARG A 78 -13.291 13.838 1.235 1.00 3.30 H new ATOM 0 HH12 ARG A 78 -12.637 15.102 0.189 1.00 3.30 H new ATOM 0 HH21 ARG A 78 -11.474 13.036 -2.235 1.00 4.47 H new ATOM 0 HH22 ARG A 78 -11.686 14.682 -1.629 1.00 4.47 H new ATOM 1074 N ALA A 79 -11.915 8.052 5.653 1.00 1.12 N ATOM 1075 CA ALA A 79 -12.213 7.493 6.974 1.00 1.26 C ATOM 1076 C ALA A 79 -10.968 7.350 7.871 1.00 1.22 C ATOM 1077 O ALA A 79 -11.095 7.484 9.092 1.00 1.43 O ATOM 1078 CB ALA A 79 -12.945 6.154 6.810 1.00 1.26 C ATOM 0 H ALA A 79 -11.999 7.372 4.898 1.00 1.12 H new ATOM 0 HA ALA A 79 -12.861 8.201 7.491 1.00 1.26 H new ATOM 0 HB1 ALA A 79 -13.167 5.738 7.793 1.00 1.26 H new ATOM 0 HB2 ALA A 79 -13.875 6.312 6.265 1.00 1.26 H new ATOM 0 HB3 ALA A 79 -12.313 5.460 6.256 1.00 1.26 H new ATOM 1084 N VAL A 80 -9.773 7.125 7.308 1.00 1.05 N ATOM 1085 CA VAL A 80 -8.505 7.178 8.058 1.00 1.16 C ATOM 1086 C VAL A 80 -8.119 8.633 8.350 1.00 1.24 C ATOM 1087 O VAL A 80 -7.682 8.939 9.459 1.00 1.43 O ATOM 1088 CB VAL A 80 -7.367 6.462 7.297 1.00 1.07 C ATOM 1089 CG1 VAL A 80 -6.070 6.458 8.109 1.00 1.33 C ATOM 1090 CG2 VAL A 80 -7.685 4.995 6.999 1.00 0.99 C ATOM 0 H VAL A 80 -9.655 6.901 6.320 1.00 1.05 H new ATOM 0 HA VAL A 80 -8.654 6.655 9.002 1.00 1.16 H new ATOM 0 HB VAL A 80 -7.258 7.021 6.367 1.00 1.07 H new ATOM 0 HG11 VAL A 80 -5.290 5.947 7.545 1.00 1.33 H new ATOM 0 HG12 VAL A 80 -5.761 7.485 8.307 1.00 1.33 H new ATOM 0 HG13 VAL A 80 -6.234 5.940 9.054 1.00 1.33 H new ATOM 0 HG21 VAL A 80 -6.850 4.543 6.463 1.00 0.99 H new ATOM 0 HG22 VAL A 80 -7.847 4.460 7.935 1.00 0.99 H new ATOM 0 HG23 VAL A 80 -8.584 4.935 6.386 1.00 0.99 H new ATOM 1100 N GLY A 81 -8.281 9.522 7.363 1.00 1.12 N ATOM 1101 CA GLY A 81 -7.894 10.936 7.411 1.00 1.15 C ATOM 1102 C GLY A 81 -6.394 11.174 7.199 1.00 1.21 C ATOM 1103 O GLY A 81 -5.941 12.321 7.137 1.00 1.23 O ATOM 0 H GLY A 81 -8.703 9.264 6.471 1.00 1.12 H new ATOM 0 HA2 GLY A 81 -8.450 11.482 6.649 1.00 1.15 H new ATOM 0 HA3 GLY A 81 -8.185 11.350 8.376 1.00 1.15 H new ATOM 1107 N ASN A 82 -5.624 10.091 7.072 1.00 1.31 N ATOM 1108 CA ASN A 82 -4.171 10.088 6.973 1.00 1.51 C ATOM 1109 C ASN A 82 -3.667 8.924 6.093 1.00 1.46 C ATOM 1110 O ASN A 82 -4.407 7.986 5.801 1.00 1.37 O ATOM 1111 CB ASN A 82 -3.603 10.021 8.408 1.00 1.77 C ATOM 1112 CG ASN A 82 -2.099 10.214 8.453 1.00 2.03 C ATOM 1113 OD1 ASN A 82 -1.544 11.010 7.706 1.00 2.13 O ATOM 1114 ND2 ASN A 82 -1.407 9.462 9.274 1.00 2.69 N ATOM 0 H ASN A 82 -6.019 9.151 7.034 1.00 1.31 H new ATOM 0 HA ASN A 82 -3.824 10.998 6.484 1.00 1.51 H new ATOM 0 HB2 ASN A 82 -4.082 10.786 9.020 1.00 1.77 H new ATOM 0 HB3 ASN A 82 -3.855 9.057 8.849 1.00 1.77 H new ATOM 0 HD21 ASN A 82 -0.390 9.535 9.297 1.00 2.69 H new ATOM 0 HD22 ASN A 82 -1.886 8.804 9.889 1.00 2.69 H new ATOM 1121 N MET A 83 -2.389 8.967 5.710 1.00 1.58 N ATOM 1122 CA MET A 83 -1.704 7.947 4.933 1.00 1.49 C ATOM 1123 C MET A 83 -1.383 6.749 5.844 1.00 1.42 C ATOM 1124 O MET A 83 -0.596 6.917 6.777 1.00 1.46 O ATOM 1125 CB MET A 83 -0.422 8.605 4.387 1.00 1.68 C ATOM 1126 CG MET A 83 0.331 7.775 3.346 1.00 1.81 C ATOM 1127 SD MET A 83 0.027 8.280 1.629 1.00 1.85 S ATOM 1128 CE MET A 83 -1.726 7.849 1.473 1.00 1.67 C ATOM 0 H MET A 83 -1.781 9.751 5.947 1.00 1.58 H new ATOM 0 HA MET A 83 -2.312 7.573 4.109 1.00 1.49 H new ATOM 0 HB2 MET A 83 -0.684 9.566 3.945 1.00 1.68 H new ATOM 0 HB3 MET A 83 0.248 8.810 5.222 1.00 1.68 H new ATOM 0 HG2 MET A 83 1.400 7.842 3.549 1.00 1.81 H new ATOM 0 HG3 MET A 83 0.050 6.728 3.460 1.00 1.81 H new ATOM 0 HE1 MET A 83 -1.989 7.772 0.418 1.00 1.67 H new ATOM 0 HE2 MET A 83 -1.911 6.893 1.963 1.00 1.67 H new ATOM 0 HE3 MET A 83 -2.334 8.622 1.944 1.00 1.67 H new ATOM 1138 N PRO A 84 -1.909 5.533 5.602 1.00 1.36 N ATOM 1139 CA PRO A 84 -1.645 4.388 6.480 1.00 1.36 C ATOM 1140 C PRO A 84 -0.257 3.763 6.270 1.00 1.37 C ATOM 1141 O PRO A 84 0.118 2.815 6.969 1.00 1.42 O ATOM 1142 CB PRO A 84 -2.789 3.413 6.198 1.00 1.35 C ATOM 1143 CG PRO A 84 -3.197 3.693 4.748 1.00 1.33 C ATOM 1144 CD PRO A 84 -2.817 5.161 4.525 1.00 1.33 C ATOM 0 HA PRO A 84 -1.617 4.688 7.527 1.00 1.36 H new ATOM 0 HB2 PRO A 84 -2.468 2.379 6.325 1.00 1.35 H new ATOM 0 HB3 PRO A 84 -3.623 3.574 6.881 1.00 1.35 H new ATOM 0 HG2 PRO A 84 -2.673 3.036 4.053 1.00 1.33 H new ATOM 0 HG3 PRO A 84 -4.264 3.531 4.597 1.00 1.33 H new ATOM 0 HD2 PRO A 84 -2.339 5.293 3.554 1.00 1.33 H new ATOM 0 HD3 PRO A 84 -3.704 5.795 4.532 1.00 1.33 H new ATOM 1152 N TYR A 85 0.488 4.296 5.295 1.00 1.36 N ATOM 1153 CA TYR A 85 1.748 3.762 4.764 1.00 1.35 C ATOM 1154 C TYR A 85 2.945 4.185 5.616 1.00 1.73 C ATOM 1155 O TYR A 85 3.077 5.400 5.893 1.00 2.18 O ATOM 1156 CB TYR A 85 1.916 4.224 3.304 1.00 1.39 C ATOM 1157 CG TYR A 85 0.720 4.118 2.363 1.00 1.36 C ATOM 1158 CD1 TYR A 85 -0.307 3.176 2.564 1.00 2.76 C ATOM 1159 CD2 TYR A 85 0.638 5.000 1.268 1.00 1.95 C ATOM 1160 CE1 TYR A 85 -1.419 3.141 1.700 1.00 3.07 C ATOM 1161 CE2 TYR A 85 -0.474 4.973 0.404 1.00 1.93 C ATOM 1162 CZ TYR A 85 -1.515 4.047 0.622 1.00 1.89 C ATOM 1163 OH TYR A 85 -2.607 4.038 -0.190 1.00 2.30 O ATOM 0 H TYR A 85 0.212 5.160 4.829 1.00 1.36 H new ATOM 0 HA TYR A 85 1.709 2.673 4.797 1.00 1.35 H new ATOM 0 HB2 TYR A 85 2.233 5.267 3.321 1.00 1.39 H new ATOM 0 HB3 TYR A 85 2.733 3.650 2.867 1.00 1.39 H new ATOM 0 HD1 TYR A 85 -0.242 2.477 3.385 1.00 2.76 H new ATOM 0 HD2 TYR A 85 1.437 5.705 1.089 1.00 1.95 H new ATOM 0 HE1 TYR A 85 -2.203 2.416 1.863 1.00 3.07 H new ATOM 0 HE2 TYR A 85 -0.529 5.662 -0.426 1.00 1.93 H new ATOM 0 HH TYR A 85 -2.508 4.728 -0.879 1.00 2.30 H new TER 1173 TYR A 85