USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 0 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 110 THR OG1 : rot 128:sc= -0.827! USER MOD Set 1.2: A 139 TYR OH : rot 75:sc= 0.72 USER MOD Set 2.1: A 126 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.385) USER MOD Set 2.2: A 130 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 127 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0401) USER MOD Set 3.2: A 141 GLN : amide:sc= -0.319 X(o=-0.32,f=-0.35) USER MOD Set 4.1: A 113 SER OG : rot -140:sc= 0.937 USER MOD Set 4.2: A 116 HIS : no HD1:sc= -2.25 K(o=-1.3,f=-6.3!) USER MOD Set 4.3: A 119 LYS NZ :NH3+ -157:sc= 0 (180deg=0) USER MOD Set 5.1: A 90 SER OG : rot -78:sc= 2.2 USER MOD Set 5.2: A 92 THR OG1 : rot 53:sc= 1.3 USER MOD Set 5.3: A 97 CYS SG : rot -177:sc= 2.08 USER MOD Set 6.1: A 72 SER OG : rot -177:sc= 2.09 USER MOD Set 6.2: A 75 THR OG1 : rot -166:sc= 1.21 USER MOD Set 7.1: A 52 SER OG : rot 30:sc= 1.16 USER MOD Set 7.2: A 54 GLN : amide:sc= 0.902 K(o=-2.3,f=-3.5) USER MOD Set 7.3: A 55 HIS : no HE2:sc= -4.32! C(o=-2.3!,f=-9.4!) USER MOD Set 8.1: A 30 CYS SG : rot 58:sc= -2.88 USER MOD Set 8.2: A 32 ASN : amide:sc= -0.505 K(o=-3.9,f=-11!) USER MOD Set 8.3: A 35 HIS : no HE2:sc= -0.561 K(o=-3.9,f=-14!) USER MOD Set 9.1: A 31 SER OG : rot -127:sc= 0.45 USER MOD Set 9.2: A 108 TYR OH : rot 180:sc= 0.0604 USER MOD Single : A 29 TYR OH : rot -143:sc= 0.239 USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.426 USER MOD Single : A 48 THR OG1 : rot -170:sc= -0.5 USER MOD Single : A 57 GLN : amide:sc= -3.92! C(o=-3.9!,f=-5.2!) USER MOD Single : A 59 GLN : amide:sc= -1.31 K(o=-1.3,f=-0.31) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= -0.097 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 70:sc= -0.534 USER MOD Single : A 77 GLN : amide:sc=-0.00348 K(o=-0.0035,f=-1.3) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl -157:sc= -0.435 (180deg=-1.31) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.00651 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 ASN : amide:sc= -1.26 K(o=-1.3,f=-6.8!) USER MOD Single : A 106 ASN : amide:sc= 0.0877 K(o=0.088,f=-3.7!) USER MOD Single : A 107 HIS : no HD1:sc= -0.402 X(o=-0.4,f=-0.84) USER MOD Single : A 109 ASN : amide:sc= -0.357 X(o=-0.36,f=-0.59) USER MOD Single : A 111 TYR OH : rot 15:sc= -0.0119 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 128 ASN : amide:sc= -0.18 X(o=-0.18,f=0) USER MOD Single : A 131 CYS SG : rot -150:sc= -3.63 USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 THR OG1 : rot 48:sc= 0.547 USER MOD Single : A 138 HIS : no HE2:sc= -0.0283 K(o=-0.028,f=-1.1) USER MOD Single : A 142 LYS NZ :NH3+ -117:sc= -0.0366 (180deg=-1.2) USER MOD Single : A 152 SER OG : rot -28:sc= 1.16 USER MOD Single : A 153 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 28 -4.030 6.658 -0.391 1.00 0.00 N ATOM 2 CA LEU A 28 -3.851 7.046 1.027 1.00 0.00 C ATOM 3 C LEU A 28 -4.949 6.524 1.982 1.00 0.00 C ATOM 4 O LEU A 28 -4.659 5.882 2.988 1.00 0.00 O ATOM 5 CB LEU A 28 -3.735 8.577 1.150 1.00 0.00 C ATOM 6 CG LEU A 28 -3.332 9.029 2.553 1.00 0.00 C ATOM 7 CD1 LEU A 28 -1.868 8.720 2.857 1.00 0.00 C ATOM 8 CD2 LEU A 28 -3.571 10.536 2.693 1.00 0.00 C ATOM 0 HA LEU A 28 -2.927 6.564 1.345 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.000 8.940 0.431 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.690 9.032 0.887 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.945 8.478 3.266 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.626 9.059 3.864 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.701 7.645 2.785 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.231 9.235 2.138 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.284 10.859 3.694 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.973 11.069 1.954 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.627 10.754 2.531 1.00 0.00 H new ATOM 9 N TYR A 29 -6.189 6.711 1.520 1.00 0.00 N ATOM 10 CA TYR A 29 -7.409 6.327 2.235 1.00 0.00 C ATOM 11 C TYR A 29 -7.906 4.979 1.688 1.00 0.00 C ATOM 12 O TYR A 29 -7.673 4.646 0.532 1.00 0.00 O ATOM 13 CB TYR A 29 -8.437 7.431 1.996 1.00 0.00 C ATOM 14 CG TYR A 29 -9.541 7.432 3.048 1.00 0.00 C ATOM 15 CD1 TYR A 29 -9.276 8.016 4.300 1.00 0.00 C ATOM 16 CD2 TYR A 29 -10.782 6.802 2.761 1.00 0.00 C ATOM 17 CE1 TYR A 29 -10.261 7.960 5.308 1.00 0.00 C ATOM 18 CE2 TYR A 29 -11.759 6.745 3.775 1.00 0.00 C ATOM 19 CZ TYR A 29 -11.483 7.305 5.038 1.00 0.00 C ATOM 20 OH TYR A 29 -12.301 7.039 6.082 1.00 0.00 O ATOM 0 H TYR A 29 -6.376 7.144 0.616 1.00 0.00 H new ATOM 0 HA TYR A 29 -7.234 6.211 3.305 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -7.935 8.398 1.999 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -8.880 7.304 1.008 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -8.330 8.501 4.487 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -10.972 6.376 1.787 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -10.083 8.412 6.273 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -12.713 6.275 3.585 1.00 0.00 H new ATOM 0 HH TYR A 29 -12.735 6.171 5.944 1.00 0.00 H new ATOM 21 N CYS A 30 -8.623 4.250 2.521 1.00 0.00 N ATOM 22 CA CYS A 30 -9.133 2.906 2.184 1.00 0.00 C ATOM 23 C CYS A 30 -10.566 2.669 2.683 1.00 0.00 C ATOM 24 O CYS A 30 -10.919 3.111 3.777 1.00 0.00 O ATOM 25 CB CYS A 30 -8.204 1.856 2.787 1.00 0.00 C ATOM 26 SG CYS A 30 -8.196 2.007 4.614 1.00 0.00 S ATOM 0 H CYS A 30 -8.877 4.562 3.458 1.00 0.00 H new ATOM 0 HA CYS A 30 -9.157 2.828 1.097 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -8.532 0.858 2.497 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -7.194 1.985 2.398 1.00 0.00 H new ATOM 0 HG CYS A 30 -9.407 1.871 5.066 1.00 0.00 H new ATOM 27 N SER A 31 -11.282 1.799 1.974 1.00 0.00 N ATOM 28 CA SER A 31 -12.649 1.363 2.339 1.00 0.00 C ATOM 29 C SER A 31 -12.729 0.394 3.535 1.00 0.00 C ATOM 30 O SER A 31 -13.804 -0.137 3.847 1.00 0.00 O ATOM 31 CB SER A 31 -13.318 0.705 1.141 1.00 0.00 C ATOM 32 OG SER A 31 -13.152 1.533 -0.009 1.00 0.00 O ATOM 0 H SER A 31 -10.935 1.366 1.118 1.00 0.00 H new ATOM 0 HA SER A 31 -13.162 2.274 2.646 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.882 -0.278 0.961 1.00 0.00 H new ATOM 0 HB3 SER A 31 -14.378 0.551 1.342 1.00 0.00 H new ATOM 0 HG SER A 31 -14.026 1.701 -0.420 1.00 0.00 H new ATOM 33 N ASN A 32 -11.604 0.171 4.216 1.00 0.00 N ATOM 34 CA ASN A 32 -11.509 -0.662 5.436 1.00 0.00 C ATOM 35 C ASN A 32 -12.378 -0.158 6.608 1.00 0.00 C ATOM 36 O ASN A 32 -12.657 -0.870 7.566 1.00 0.00 O ATOM 37 CB ASN A 32 -10.009 -0.794 5.762 1.00 0.00 C ATOM 38 CG ASN A 32 -9.387 0.058 6.874 1.00 0.00 C ATOM 39 OD1 ASN A 32 -9.701 1.203 7.116 1.00 0.00 O ATOM 40 ND2 ASN A 32 -8.235 -0.397 7.292 1.00 0.00 N ATOM 0 H ASN A 32 -10.708 0.570 3.936 1.00 0.00 H new ATOM 0 HA ASN A 32 -11.935 -1.649 5.256 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -9.823 -1.839 6.012 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -9.459 -0.582 4.845 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -7.607 0.211 7.818 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -7.964 -1.360 7.092 1.00 0.00 H new ATOM 41 N GLY A 33 -12.496 1.167 6.578 1.00 0.00 N ATOM 42 CA GLY A 33 -13.238 2.102 7.440 1.00 0.00 C ATOM 43 C GLY A 33 -12.639 3.443 7.007 1.00 0.00 C ATOM 44 O GLY A 33 -13.259 4.292 6.366 1.00 0.00 O ATOM 0 H GLY A 33 -12.007 1.687 5.849 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -14.313 2.056 7.267 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -13.077 1.902 8.499 1.00 0.00 H new ATOM 45 N GLY A 34 -11.347 3.530 7.340 1.00 0.00 N ATOM 46 CA GLY A 34 -10.376 4.358 6.618 1.00 0.00 C ATOM 47 C GLY A 34 -9.253 4.905 7.497 1.00 0.00 C ATOM 48 O GLY A 34 -9.498 5.445 8.576 1.00 0.00 O ATOM 0 H GLY A 34 -10.942 3.022 8.127 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.939 3.768 5.812 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.900 5.193 6.154 1.00 0.00 H new ATOM 49 N HIS A 35 -8.048 4.588 7.063 1.00 0.00 N ATOM 50 CA HIS A 35 -6.796 5.054 7.688 1.00 0.00 C ATOM 51 C HIS A 35 -5.952 5.826 6.655 1.00 0.00 C ATOM 52 O HIS A 35 -6.387 5.987 5.515 1.00 0.00 O ATOM 53 CB HIS A 35 -6.051 3.839 8.252 1.00 0.00 C ATOM 54 CG HIS A 35 -6.831 3.064 9.316 1.00 0.00 C ATOM 55 ND1 HIS A 35 -7.835 2.228 9.089 1.00 0.00 N ATOM 56 CD2 HIS A 35 -6.581 3.067 10.623 1.00 0.00 C ATOM 57 CE1 HIS A 35 -8.200 1.699 10.240 1.00 0.00 C ATOM 58 NE2 HIS A 35 -7.441 2.234 11.189 1.00 0.00 N ATOM 0 H HIS A 35 -7.894 3.989 6.252 1.00 0.00 H new ATOM 0 HA HIS A 35 -7.005 5.741 8.508 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -5.807 3.163 7.432 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -5.106 4.173 8.681 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -8.253 2.029 8.180 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -5.819 3.642 11.128 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -8.977 0.963 10.385 1.00 0.00 H new ATOM 59 N PHE A 36 -4.684 6.052 6.975 1.00 0.00 N ATOM 60 CA PHE A 36 -3.816 6.932 6.186 1.00 0.00 C ATOM 61 C PHE A 36 -2.474 6.228 5.968 1.00 0.00 C ATOM 62 O PHE A 36 -1.749 5.972 6.918 1.00 0.00 O ATOM 63 CB PHE A 36 -3.630 8.277 6.887 1.00 0.00 C ATOM 64 CG PHE A 36 -4.919 9.102 6.964 1.00 0.00 C ATOM 65 CD1 PHE A 36 -5.312 9.869 5.844 1.00 0.00 C ATOM 66 CD2 PHE A 36 -5.675 9.100 8.157 1.00 0.00 C ATOM 67 CE1 PHE A 36 -6.485 10.658 5.921 1.00 0.00 C ATOM 68 CE2 PHE A 36 -6.848 9.890 8.235 1.00 0.00 C ATOM 69 CZ PHE A 36 -7.241 10.656 7.114 1.00 0.00 C ATOM 0 H PHE A 36 -4.225 5.635 7.785 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.276 7.135 5.219 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.256 8.105 7.896 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.869 8.852 6.359 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.724 9.853 4.939 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -5.362 8.503 9.001 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -6.798 11.255 5.077 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.436 9.907 9.141 1.00 0.00 H new ATOM 0 HZ PHE A 36 -8.139 11.253 7.171 1.00 0.00 H new ATOM 70 N LEU A 37 -2.384 5.690 4.757 1.00 0.00 N ATOM 71 CA LEU A 37 -1.235 4.914 4.246 1.00 0.00 C ATOM 72 C LEU A 37 0.128 5.549 4.591 1.00 0.00 C ATOM 73 O LEU A 37 0.626 6.450 3.925 1.00 0.00 O ATOM 74 CB LEU A 37 -1.465 4.762 2.745 1.00 0.00 C ATOM 75 CG LEU A 37 -0.361 4.035 1.963 1.00 0.00 C ATOM 76 CD1 LEU A 37 -0.293 2.558 2.348 1.00 0.00 C ATOM 77 CD2 LEU A 37 -0.644 4.201 0.474 1.00 0.00 C ATOM 0 H LEU A 37 -3.132 5.780 4.070 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.183 3.938 4.729 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.402 4.226 2.594 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.593 5.755 2.315 1.00 0.00 H new ATOM 0 HG LEU A 37 0.609 4.469 2.206 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.498 2.070 1.778 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.080 2.469 3.413 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.248 2.080 2.127 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.129 3.692 -0.102 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.617 3.769 0.238 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.647 5.261 0.220 1.00 0.00 H new ATOM 78 N ARG A 38 0.690 5.042 5.677 1.00 0.00 N ATOM 79 CA ARG A 38 1.950 5.517 6.257 1.00 0.00 C ATOM 80 C ARG A 38 3.101 4.516 6.076 1.00 0.00 C ATOM 81 O ARG A 38 3.045 3.374 6.544 1.00 0.00 O ATOM 82 CB ARG A 38 1.705 5.834 7.739 1.00 0.00 C ATOM 83 CG ARG A 38 2.964 6.197 8.531 1.00 0.00 C ATOM 84 CD ARG A 38 2.709 6.782 9.915 1.00 0.00 C ATOM 85 NE ARG A 38 1.794 5.912 10.670 1.00 0.00 N ATOM 86 CZ ARG A 38 1.536 5.914 11.971 1.00 0.00 C ATOM 87 NH1 ARG A 38 2.389 6.336 12.892 1.00 0.00 N ATOM 88 NH2 ARG A 38 0.537 5.162 12.406 1.00 0.00 N ATOM 0 H ARG A 38 0.277 4.268 6.198 1.00 0.00 H new ATOM 0 HA ARG A 38 2.265 6.417 5.728 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.998 6.661 7.808 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.233 4.971 8.208 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.578 5.303 8.639 1.00 0.00 H new ATOM 0 HG3 ARG A 38 3.545 6.914 7.951 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.651 6.887 10.453 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.281 7.780 9.823 1.00 0.00 H new ATOM 0 HE ARG A 38 1.292 5.215 10.120 1.00 0.00 H new ATOM 0 HH11 ARG A 38 3.306 6.686 12.615 1.00 0.00 H new ATOM 0 HH12 ARG A 38 2.129 6.311 13.878 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -0.007 4.605 11.747 1.00 0.00 H new ATOM 0 HH22 ARG A 38 0.311 5.140 13.400 1.00 0.00 H new ATOM 89 N ILE A 39 4.188 5.095 5.606 1.00 0.00 N ATOM 90 CA ILE A 39 5.481 4.392 5.561 1.00 0.00 C ATOM 91 C ILE A 39 6.397 4.975 6.635 1.00 0.00 C ATOM 92 O ILE A 39 6.901 6.093 6.599 1.00 0.00 O ATOM 93 CB ILE A 39 6.016 4.370 4.111 1.00 0.00 C ATOM 94 CG1 ILE A 39 6.975 3.187 4.022 1.00 0.00 C ATOM 95 CG2 ILE A 39 6.677 5.676 3.652 1.00 0.00 C ATOM 96 CD1 ILE A 39 7.003 2.600 2.605 1.00 0.00 C ATOM 0 H ILE A 39 4.215 6.049 5.247 1.00 0.00 H new ATOM 0 HA ILE A 39 5.396 3.336 5.816 1.00 0.00 H new ATOM 0 HB ILE A 39 5.175 4.264 3.426 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.978 3.506 4.306 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.673 2.417 4.732 1.00 0.00 H new ATOM 0 HG21 ILE A 39 7.022 5.567 2.624 1.00 0.00 H new ATOM 0 HG22 ILE A 39 5.954 6.489 3.708 1.00 0.00 H new ATOM 0 HG23 ILE A 39 7.526 5.900 4.297 1.00 0.00 H new ATOM 0 HD11 ILE A 39 7.695 1.759 2.573 1.00 0.00 H new ATOM 0 HD12 ILE A 39 6.004 2.259 2.333 1.00 0.00 H new ATOM 0 HD13 ILE A 39 7.329 3.365 1.901 1.00 0.00 H new ATOM 97 N LEU A 40 6.274 4.230 7.716 1.00 0.00 N ATOM 98 CA LEU A 40 6.840 4.563 9.029 1.00 0.00 C ATOM 99 C LEU A 40 8.366 4.403 8.962 1.00 0.00 C ATOM 100 O LEU A 40 8.820 3.328 8.547 1.00 0.00 O ATOM 101 CB LEU A 40 6.178 3.618 10.017 1.00 0.00 C ATOM 102 CG LEU A 40 6.263 4.088 11.468 1.00 0.00 C ATOM 103 CD1 LEU A 40 5.283 5.225 11.660 1.00 0.00 C ATOM 104 CD2 LEU A 40 5.792 2.988 12.404 1.00 0.00 C ATOM 0 H LEU A 40 5.763 3.347 7.715 1.00 0.00 H new ATOM 0 HA LEU A 40 6.654 5.591 9.339 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.130 3.498 9.744 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.644 2.636 9.935 1.00 0.00 H new ATOM 0 HG LEU A 40 7.294 4.373 11.678 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.329 5.575 12.691 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.539 6.044 10.987 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.274 4.877 11.440 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.857 3.335 13.435 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.758 2.731 12.172 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.422 2.108 12.277 1.00 0.00 H new ATOM 105 N PRO A 41 9.123 5.366 9.501 1.00 0.00 N ATOM 106 CA PRO A 41 10.600 5.400 9.456 1.00 0.00 C ATOM 107 C PRO A 41 11.278 4.201 10.154 1.00 0.00 C ATOM 108 O PRO A 41 12.450 3.923 9.899 1.00 0.00 O ATOM 109 CB PRO A 41 10.986 6.732 10.100 1.00 0.00 C ATOM 110 CG PRO A 41 9.854 6.985 11.093 1.00 0.00 C ATOM 111 CD PRO A 41 8.616 6.464 10.364 1.00 0.00 C ATOM 0 HA PRO A 41 10.950 5.318 8.427 1.00 0.00 H new ATOM 0 HB2 PRO A 41 11.953 6.672 10.600 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.058 7.530 9.361 1.00 0.00 H new ATOM 0 HG2 PRO A 41 10.019 6.457 12.032 1.00 0.00 H new ATOM 0 HG3 PRO A 41 9.761 8.044 11.335 1.00 0.00 H new ATOM 0 HD2 PRO A 41 7.866 6.102 11.067 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.145 7.249 9.772 1.00 0.00 H new ATOM 112 N ASP A 42 10.504 3.453 10.938 1.00 0.00 N ATOM 113 CA ASP A 42 10.939 2.184 11.554 1.00 0.00 C ATOM 114 C ASP A 42 11.101 1.068 10.506 1.00 0.00 C ATOM 115 O ASP A 42 11.556 -0.033 10.829 1.00 0.00 O ATOM 116 CB ASP A 42 9.899 1.803 12.611 1.00 0.00 C ATOM 117 CG ASP A 42 10.341 0.626 13.487 1.00 0.00 C ATOM 118 OD1 ASP A 42 11.322 0.804 14.228 1.00 0.00 O ATOM 119 OD2 ASP A 42 9.628 -0.406 13.440 1.00 0.00 O ATOM 0 H ASP A 42 9.544 3.707 11.171 1.00 0.00 H new ATOM 0 HA ASP A 42 11.919 2.313 12.014 1.00 0.00 H new ATOM 0 HB2 ASP A 42 9.700 2.667 13.245 1.00 0.00 H new ATOM 0 HB3 ASP A 42 8.962 1.549 12.116 1.00 0.00 H new ATOM 120 N GLY A 43 10.531 1.320 9.320 1.00 0.00 N ATOM 121 CA GLY A 43 10.514 0.427 8.152 1.00 0.00 C ATOM 122 C GLY A 43 9.171 -0.313 8.044 1.00 0.00 C ATOM 123 O GLY A 43 9.052 -1.274 7.294 1.00 0.00 O ATOM 0 H GLY A 43 10.044 2.198 9.139 1.00 0.00 H new ATOM 0 HA2 GLY A 43 10.688 1.006 7.245 1.00 0.00 H new ATOM 0 HA3 GLY A 43 11.326 -0.296 8.230 1.00 0.00 H new ATOM 124 N THR A 44 8.125 0.338 8.548 1.00 0.00 N ATOM 125 CA THR A 44 6.839 -0.331 8.834 1.00 0.00 C ATOM 126 C THR A 44 5.774 0.327 7.955 1.00 0.00 C ATOM 127 O THR A 44 5.839 1.530 7.703 1.00 0.00 O ATOM 128 CB THR A 44 6.499 -0.075 10.308 1.00 0.00 C ATOM 129 OG1 THR A 44 7.672 -0.153 11.123 1.00 0.00 O ATOM 130 CG2 THR A 44 5.414 -1.002 10.846 1.00 0.00 C ATOM 0 H THR A 44 8.134 1.333 8.771 1.00 0.00 H new ATOM 0 HA THR A 44 6.887 -1.402 8.638 1.00 0.00 H new ATOM 0 HB THR A 44 6.096 0.937 10.355 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.432 0.015 12.058 1.00 0.00 H new ATOM 0 HG21 THR A 44 5.222 -0.768 11.893 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.499 -0.864 10.270 1.00 0.00 H new ATOM 0 HG23 THR A 44 5.745 -2.037 10.760 1.00 0.00 H new ATOM 131 N VAL A 45 4.903 -0.478 7.362 1.00 0.00 N ATOM 132 CA VAL A 45 3.769 0.114 6.629 1.00 0.00 C ATOM 133 C VAL A 45 2.496 -0.043 7.468 1.00 0.00 C ATOM 134 O VAL A 45 2.124 -1.126 7.906 1.00 0.00 O ATOM 135 CB VAL A 45 3.693 -0.429 5.196 1.00 0.00 C ATOM 136 CG1 VAL A 45 2.493 0.126 4.423 1.00 0.00 C ATOM 137 CG2 VAL A 45 4.960 -0.004 4.445 1.00 0.00 C ATOM 0 H VAL A 45 4.944 -1.497 7.365 1.00 0.00 H new ATOM 0 HA VAL A 45 3.908 1.186 6.491 1.00 0.00 H new ATOM 0 HB VAL A 45 3.592 -1.512 5.262 1.00 0.00 H new ATOM 0 HG11 VAL A 45 2.486 -0.289 3.415 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.571 -0.149 4.936 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.567 1.212 4.367 1.00 0.00 H new ATOM 0 HG21 VAL A 45 4.922 -0.382 3.424 1.00 0.00 H new ATOM 0 HG22 VAL A 45 5.024 1.084 4.427 1.00 0.00 H new ATOM 0 HG23 VAL A 45 5.836 -0.411 4.950 1.00 0.00 H new ATOM 138 N ASP A 46 1.998 1.123 7.851 1.00 0.00 N ATOM 139 CA ASP A 46 0.852 1.245 8.770 1.00 0.00 C ATOM 140 C ASP A 46 -0.207 2.222 8.224 1.00 0.00 C ATOM 141 O ASP A 46 0.044 2.940 7.271 1.00 0.00 O ATOM 142 CB ASP A 46 1.277 1.743 10.156 1.00 0.00 C ATOM 143 CG ASP A 46 2.532 1.062 10.693 1.00 0.00 C ATOM 144 OD1 ASP A 46 3.623 1.589 10.392 1.00 0.00 O ATOM 145 OD2 ASP A 46 2.370 0.016 11.354 1.00 0.00 O ATOM 0 H ASP A 46 2.371 2.020 7.538 1.00 0.00 H new ATOM 0 HA ASP A 46 0.432 0.243 8.854 1.00 0.00 H new ATOM 0 HB2 ASP A 46 1.449 2.818 10.109 1.00 0.00 H new ATOM 0 HB3 ASP A 46 0.458 1.582 10.857 1.00 0.00 H new ATOM 146 N GLY A 47 -1.443 2.024 8.668 1.00 0.00 N ATOM 147 CA GLY A 47 -2.500 3.053 8.518 1.00 0.00 C ATOM 148 C GLY A 47 -2.337 4.078 9.643 1.00 0.00 C ATOM 149 O GLY A 47 -1.225 4.450 10.016 1.00 0.00 O ATOM 0 H GLY A 47 -1.750 1.170 9.134 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.420 3.540 7.546 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.487 2.593 8.564 1.00 0.00 H new ATOM 150 N THR A 48 -3.469 4.400 10.273 1.00 0.00 N ATOM 151 CA THR A 48 -3.430 5.207 11.505 1.00 0.00 C ATOM 152 C THR A 48 -3.594 4.431 12.808 1.00 0.00 C ATOM 153 O THR A 48 -4.640 4.397 13.454 1.00 0.00 O ATOM 154 CB THR A 48 -4.194 6.541 11.473 1.00 0.00 C ATOM 155 OG1 THR A 48 -4.131 7.189 12.746 1.00 0.00 O ATOM 156 CG2 THR A 48 -5.676 6.423 11.100 1.00 0.00 C ATOM 0 H THR A 48 -4.402 4.126 9.965 1.00 0.00 H new ATOM 0 HA THR A 48 -2.386 5.520 11.510 1.00 0.00 H new ATOM 0 HB THR A 48 -3.696 7.116 10.692 1.00 0.00 H new ATOM 0 HG1 THR A 48 -4.748 7.951 12.756 1.00 0.00 H new ATOM 0 HG21 THR A 48 -6.132 7.413 11.103 1.00 0.00 H new ATOM 0 HG22 THR A 48 -5.767 5.985 10.106 1.00 0.00 H new ATOM 0 HG23 THR A 48 -6.184 5.787 11.825 1.00 0.00 H new ATOM 157 N ARG A 49 -2.507 3.723 13.100 1.00 0.00 N ATOM 158 CA ARG A 49 -2.187 3.189 14.427 1.00 0.00 C ATOM 159 C ARG A 49 -1.483 4.370 15.141 1.00 0.00 C ATOM 160 O ARG A 49 -0.263 4.461 15.192 1.00 0.00 O ATOM 161 CB ARG A 49 -1.251 1.980 14.240 1.00 0.00 C ATOM 162 CG ARG A 49 -1.043 1.153 15.513 1.00 0.00 C ATOM 163 CD ARG A 49 -1.872 -0.139 15.549 1.00 0.00 C ATOM 164 NE ARG A 49 -3.302 0.134 15.762 1.00 0.00 N ATOM 165 CZ ARG A 49 -4.235 -0.724 16.161 1.00 0.00 C ATOM 166 NH1 ARG A 49 -3.952 -1.951 16.582 1.00 0.00 N ATOM 167 NH2 ARG A 49 -5.483 -0.297 16.304 1.00 0.00 N ATOM 0 H ARG A 49 -1.800 3.496 12.400 1.00 0.00 H new ATOM 0 HA ARG A 49 -3.045 2.841 15.002 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.658 1.335 13.462 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.283 2.334 13.886 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.013 0.900 15.603 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.299 1.764 16.379 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.741 -0.681 14.612 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.503 -0.785 16.345 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.612 1.089 15.583 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.984 -2.270 16.609 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -4.703 -2.574 16.879 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -5.714 0.677 16.108 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -6.211 -0.943 16.609 1.00 0.00 H new ATOM 168 N ASP A 50 -2.317 5.383 15.354 1.00 0.00 N ATOM 169 CA ASP A 50 -1.949 6.728 15.837 1.00 0.00 C ATOM 170 C ASP A 50 -0.953 7.426 14.883 1.00 0.00 C ATOM 171 O ASP A 50 0.246 7.492 15.131 1.00 0.00 O ATOM 172 CB ASP A 50 -1.463 6.618 17.286 1.00 0.00 C ATOM 173 CG ASP A 50 -1.082 7.961 17.924 1.00 0.00 C ATOM 174 OD1 ASP A 50 -1.781 8.952 17.610 1.00 0.00 O ATOM 175 OD2 ASP A 50 -0.174 7.951 18.779 1.00 0.00 O ATOM 0 H ASP A 50 -3.320 5.293 15.189 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.822 7.380 15.836 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.245 6.152 17.886 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.599 5.955 17.318 1.00 0.00 H new ATOM 176 N ARG A 51 -1.529 7.956 13.808 1.00 0.00 N ATOM 177 CA ARG A 51 -0.872 8.656 12.684 1.00 0.00 C ATOM 178 C ARG A 51 0.254 9.619 13.109 1.00 0.00 C ATOM 179 O ARG A 51 0.014 10.719 13.617 1.00 0.00 O ATOM 180 CB ARG A 51 -1.964 9.454 11.972 1.00 0.00 C ATOM 181 CG ARG A 51 -1.720 9.649 10.472 1.00 0.00 C ATOM 182 CD ARG A 51 -2.680 10.727 9.991 1.00 0.00 C ATOM 183 NE ARG A 51 -2.426 11.002 8.570 1.00 0.00 N ATOM 184 CZ ARG A 51 -3.009 11.944 7.818 1.00 0.00 C ATOM 185 NH1 ARG A 51 -3.944 12.755 8.286 1.00 0.00 N ATOM 186 NH2 ARG A 51 -2.613 12.097 6.563 1.00 0.00 N ATOM 0 H ARG A 51 -2.540 7.910 13.680 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.396 7.908 12.050 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.919 8.947 12.111 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -2.051 10.432 12.445 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -0.687 9.944 10.286 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.887 8.717 9.932 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.711 10.402 10.132 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.549 11.636 10.579 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.733 10.413 8.108 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -4.248 12.677 9.256 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -4.361 13.459 7.676 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.876 11.502 6.185 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -3.046 12.809 5.975 1.00 0.00 H new ATOM 187 N SER A 52 1.488 9.174 12.911 1.00 0.00 N ATOM 188 CA SER A 52 2.656 10.065 12.961 1.00 0.00 C ATOM 189 C SER A 52 2.652 10.919 11.690 1.00 0.00 C ATOM 190 O SER A 52 2.813 10.418 10.583 1.00 0.00 O ATOM 191 CB SER A 52 3.986 9.335 13.116 1.00 0.00 C ATOM 192 OG SER A 52 4.270 8.499 11.999 1.00 0.00 O ATOM 0 H SER A 52 1.714 8.199 12.713 1.00 0.00 H new ATOM 0 HA SER A 52 2.568 10.683 13.855 1.00 0.00 H new ATOM 0 HB2 SER A 52 4.788 10.064 13.236 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.965 8.732 14.024 1.00 0.00 H new ATOM 0 HG SER A 52 3.856 8.876 11.195 1.00 0.00 H new ATOM 193 N ASP A 53 1.949 12.016 11.918 1.00 0.00 N ATOM 194 CA ASP A 53 1.612 13.068 10.927 1.00 0.00 C ATOM 195 C ASP A 53 2.836 13.717 10.234 1.00 0.00 C ATOM 196 O ASP A 53 3.226 14.851 10.484 1.00 0.00 O ATOM 197 CB ASP A 53 0.695 14.111 11.579 1.00 0.00 C ATOM 198 CG ASP A 53 -0.095 14.934 10.557 1.00 0.00 C ATOM 199 OD1 ASP A 53 0.521 15.419 9.584 1.00 0.00 O ATOM 200 OD2 ASP A 53 -1.327 15.021 10.751 1.00 0.00 O ATOM 0 H ASP A 53 1.570 12.223 12.842 1.00 0.00 H new ATOM 0 HA ASP A 53 1.082 12.575 10.112 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.002 13.607 12.248 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.296 14.783 12.192 1.00 0.00 H new ATOM 201 N GLN A 54 3.458 12.840 9.452 1.00 0.00 N ATOM 202 CA GLN A 54 4.541 13.100 8.491 1.00 0.00 C ATOM 203 C GLN A 54 4.598 11.895 7.544 1.00 0.00 C ATOM 204 O GLN A 54 4.025 11.973 6.469 1.00 0.00 O ATOM 205 CB GLN A 54 5.918 13.303 9.157 1.00 0.00 C ATOM 206 CG GLN A 54 7.024 13.567 8.113 1.00 0.00 C ATOM 207 CD GLN A 54 8.450 13.514 8.670 1.00 0.00 C ATOM 208 OE1 GLN A 54 8.725 13.593 9.859 1.00 0.00 O ATOM 209 NE2 GLN A 54 9.410 13.228 7.820 1.00 0.00 N ATOM 0 H GLN A 54 3.204 11.852 9.470 1.00 0.00 H new ATOM 0 HA GLN A 54 4.324 14.031 7.967 1.00 0.00 H new ATOM 0 HB2 GLN A 54 5.866 14.141 9.852 1.00 0.00 H new ATOM 0 HB3 GLN A 54 6.173 12.419 9.742 1.00 0.00 H new ATOM 0 HG2 GLN A 54 6.933 12.833 7.312 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.858 14.548 7.667 1.00 0.00 H new ATOM 0 HE21 GLN A 54 9.204 13.157 6.823 1.00 0.00 H new ATOM 0 HE22 GLN A 54 10.361 13.077 8.157 1.00 0.00 H new ATOM 210 N HIS A 55 4.921 10.731 8.104 1.00 0.00 N ATOM 211 CA HIS A 55 5.275 9.504 7.364 1.00 0.00 C ATOM 212 C HIS A 55 4.213 8.892 6.415 1.00 0.00 C ATOM 213 O HIS A 55 4.498 7.935 5.695 1.00 0.00 O ATOM 214 CB HIS A 55 5.902 8.481 8.342 1.00 0.00 C ATOM 215 CG HIS A 55 6.836 9.162 9.352 1.00 0.00 C ATOM 216 ND1 HIS A 55 6.539 9.449 10.619 1.00 0.00 N ATOM 217 CD2 HIS A 55 7.923 9.874 9.044 1.00 0.00 C ATOM 218 CE1 HIS A 55 7.400 10.358 11.067 1.00 0.00 C ATOM 219 NE2 HIS A 55 8.247 10.628 10.090 1.00 0.00 N ATOM 0 H HIS A 55 4.947 10.603 9.116 1.00 0.00 H new ATOM 0 HA HIS A 55 6.011 9.822 6.626 1.00 0.00 H new ATOM 0 HB2 HIS A 55 5.110 7.955 8.875 1.00 0.00 H new ATOM 0 HB3 HIS A 55 6.459 7.732 7.778 1.00 0.00 H new ATOM 0 HD1 HIS A 55 5.776 9.039 11.157 1.00 0.00 H new ATOM 0 HD2 HIS A 55 8.451 9.843 8.102 1.00 0.00 H new ATOM 0 HE1 HIS A 55 7.406 10.797 12.054 1.00 0.00 H new ATOM 220 N ILE A 56 2.981 9.377 6.535 1.00 0.00 N ATOM 221 CA ILE A 56 1.894 9.241 5.520 1.00 0.00 C ATOM 222 C ILE A 56 2.362 9.551 4.107 1.00 0.00 C ATOM 223 O ILE A 56 2.620 10.670 3.682 1.00 0.00 O ATOM 224 CB ILE A 56 0.597 9.896 6.009 1.00 0.00 C ATOM 225 CG1 ILE A 56 0.761 11.287 6.651 1.00 0.00 C ATOM 226 CG2 ILE A 56 -0.113 8.951 6.977 1.00 0.00 C ATOM 227 CD1 ILE A 56 0.829 12.423 5.642 1.00 0.00 C ATOM 0 H ILE A 56 2.683 9.895 7.361 1.00 0.00 H new ATOM 0 HA ILE A 56 1.618 8.191 5.419 1.00 0.00 H new ATOM 0 HB ILE A 56 0.000 10.071 5.114 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.074 11.465 7.329 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.669 11.294 7.254 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.036 9.414 7.327 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.347 8.016 6.467 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.536 8.748 7.829 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.945 13.371 6.168 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.680 12.270 4.979 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.089 12.444 5.055 1.00 0.00 H new ATOM 228 N GLN A 57 2.399 8.423 3.403 1.00 0.00 N ATOM 229 CA GLN A 57 3.015 8.251 2.092 1.00 0.00 C ATOM 230 C GLN A 57 1.928 8.187 1.028 1.00 0.00 C ATOM 231 O GLN A 57 1.053 7.324 1.065 1.00 0.00 O ATOM 232 CB GLN A 57 3.737 6.895 2.124 1.00 0.00 C ATOM 233 CG GLN A 57 4.221 6.414 0.747 1.00 0.00 C ATOM 234 CD GLN A 57 3.975 4.921 0.626 1.00 0.00 C ATOM 235 OE1 GLN A 57 4.843 4.097 0.823 1.00 0.00 O ATOM 236 NE2 GLN A 57 2.730 4.558 0.405 1.00 0.00 N ATOM 0 H GLN A 57 1.979 7.561 3.750 1.00 0.00 H new ATOM 0 HA GLN A 57 3.694 9.073 1.867 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.593 6.966 2.795 1.00 0.00 H new ATOM 0 HB3 GLN A 57 3.065 6.147 2.544 1.00 0.00 H new ATOM 0 HG2 GLN A 57 3.693 6.947 -0.044 1.00 0.00 H new ATOM 0 HG3 GLN A 57 5.282 6.631 0.625 1.00 0.00 H new ATOM 0 HE21 GLN A 57 2.014 5.266 0.241 1.00 0.00 H new ATOM 0 HE22 GLN A 57 2.481 3.569 0.397 1.00 0.00 H new ATOM 237 N LEU A 58 2.109 9.094 0.072 1.00 0.00 N ATOM 238 CA LEU A 58 1.432 9.010 -1.221 1.00 0.00 C ATOM 239 C LEU A 58 1.870 10.066 -2.246 1.00 0.00 C ATOM 240 O LEU A 58 1.564 11.249 -2.162 1.00 0.00 O ATOM 241 CB LEU A 58 -0.073 8.972 -1.085 1.00 0.00 C ATOM 242 CG LEU A 58 -0.763 8.758 -2.451 1.00 0.00 C ATOM 243 CD1 LEU A 58 -0.408 7.407 -3.074 1.00 0.00 C ATOM 244 CD2 LEU A 58 -2.258 8.902 -2.275 1.00 0.00 C ATOM 0 H LEU A 58 2.724 9.902 0.169 1.00 0.00 H new ATOM 0 HA LEU A 58 1.760 8.054 -1.628 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.357 8.170 -0.404 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.422 9.905 -0.642 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.401 9.517 -3.144 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.917 7.303 -4.032 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.670 7.349 -3.227 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.723 6.605 -2.407 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.753 8.753 -3.234 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.614 8.157 -1.563 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.486 9.900 -1.901 1.00 0.00 H new ATOM 245 N GLN A 59 2.788 9.553 -3.053 1.00 0.00 N ATOM 246 CA GLN A 59 3.116 10.130 -4.347 1.00 0.00 C ATOM 247 C GLN A 59 3.526 9.042 -5.315 1.00 0.00 C ATOM 248 O GLN A 59 4.473 8.293 -5.101 1.00 0.00 O ATOM 249 CB GLN A 59 4.303 11.090 -4.112 1.00 0.00 C ATOM 250 CG GLN A 59 4.429 12.244 -5.108 1.00 0.00 C ATOM 251 CD GLN A 59 4.686 11.781 -6.546 1.00 0.00 C ATOM 252 OE1 GLN A 59 3.815 11.794 -7.400 1.00 0.00 O ATOM 253 NE2 GLN A 59 5.890 11.322 -6.812 1.00 0.00 N ATOM 0 H GLN A 59 3.329 8.719 -2.826 1.00 0.00 H new ATOM 0 HA GLN A 59 2.258 10.651 -4.771 1.00 0.00 H new ATOM 0 HB2 GLN A 59 4.216 11.508 -3.109 1.00 0.00 H new ATOM 0 HB3 GLN A 59 5.226 10.510 -4.137 1.00 0.00 H new ATOM 0 HG2 GLN A 59 3.515 12.837 -5.083 1.00 0.00 H new ATOM 0 HG3 GLN A 59 5.242 12.898 -4.794 1.00 0.00 H new ATOM 0 HE21 GLN A 59 6.606 11.319 -6.086 1.00 0.00 H new ATOM 0 HE22 GLN A 59 6.107 10.970 -7.744 1.00 0.00 H new ATOM 254 N LEU A 60 2.678 8.885 -6.322 1.00 0.00 N ATOM 255 CA LEU A 60 2.794 7.678 -7.143 1.00 0.00 C ATOM 256 C LEU A 60 3.206 7.908 -8.606 1.00 0.00 C ATOM 257 O LEU A 60 2.660 8.730 -9.340 1.00 0.00 O ATOM 258 CB LEU A 60 1.604 6.752 -6.946 1.00 0.00 C ATOM 259 CG LEU A 60 0.251 7.219 -7.480 1.00 0.00 C ATOM 260 CD1 LEU A 60 -0.612 5.987 -7.256 1.00 0.00 C ATOM 261 CD2 LEU A 60 -0.379 8.416 -6.765 1.00 0.00 C ATOM 0 H LEU A 60 1.938 9.536 -6.585 1.00 0.00 H new ATOM 0 HA LEU A 60 3.663 7.144 -6.760 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.840 5.797 -7.416 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.497 6.564 -5.878 1.00 0.00 H new ATOM 0 HG LEU A 60 0.351 7.574 -8.506 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.627 6.186 -7.601 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.198 5.147 -7.813 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.631 5.744 -6.194 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.335 8.656 -7.231 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.538 8.170 -5.715 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.287 9.276 -6.839 1.00 0.00 H new ATOM 262 N SER A 61 4.204 7.104 -8.984 1.00 0.00 N ATOM 263 CA SER A 61 4.942 7.222 -10.257 1.00 0.00 C ATOM 264 C SER A 61 4.894 5.949 -11.094 1.00 0.00 C ATOM 265 O SER A 61 5.427 4.892 -10.761 1.00 0.00 O ATOM 266 CB SER A 61 6.386 7.634 -9.968 1.00 0.00 C ATOM 267 OG SER A 61 7.265 7.507 -11.094 1.00 0.00 O ATOM 0 H SER A 61 4.533 6.333 -8.403 1.00 0.00 H new ATOM 0 HA SER A 61 4.451 7.990 -10.854 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.396 8.669 -9.627 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.770 7.025 -9.150 1.00 0.00 H new ATOM 0 HG SER A 61 8.168 7.788 -10.837 1.00 0.00 H new ATOM 268 N ALA A 62 4.009 6.066 -12.072 1.00 0.00 N ATOM 269 CA ALA A 62 3.746 4.992 -13.038 1.00 0.00 C ATOM 270 C ALA A 62 4.831 4.698 -14.082 1.00 0.00 C ATOM 271 O ALA A 62 5.066 5.419 -15.047 1.00 0.00 O ATOM 272 CB ALA A 62 2.382 5.226 -13.713 1.00 0.00 C ATOM 0 H ALA A 62 3.449 6.905 -12.225 1.00 0.00 H new ATOM 0 HA ALA A 62 3.745 4.085 -12.434 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.189 4.428 -14.430 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.598 5.232 -12.956 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.392 6.185 -14.232 1.00 0.00 H new ATOM 273 N GLU A 63 5.336 3.482 -13.914 1.00 0.00 N ATOM 274 CA GLU A 63 6.327 2.851 -14.788 1.00 0.00 C ATOM 275 C GLU A 63 5.554 1.890 -15.705 1.00 0.00 C ATOM 276 O GLU A 63 5.552 0.663 -15.565 1.00 0.00 O ATOM 277 CB GLU A 63 7.405 2.159 -13.955 1.00 0.00 C ATOM 278 CG GLU A 63 8.554 1.667 -14.852 1.00 0.00 C ATOM 279 CD GLU A 63 9.713 1.111 -14.022 1.00 0.00 C ATOM 280 OE1 GLU A 63 10.573 1.928 -13.634 1.00 0.00 O ATOM 281 OE2 GLU A 63 9.721 -0.128 -13.812 1.00 0.00 O ATOM 0 H GLU A 63 5.058 2.883 -13.137 1.00 0.00 H new ATOM 0 HA GLU A 63 6.860 3.578 -15.401 1.00 0.00 H new ATOM 0 HB2 GLU A 63 7.792 2.850 -13.206 1.00 0.00 H new ATOM 0 HB3 GLU A 63 6.971 1.316 -13.417 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.185 0.895 -15.527 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.911 2.489 -15.472 1.00 0.00 H new ATOM 282 N SER A 64 4.785 2.566 -16.555 1.00 0.00 N ATOM 283 CA SER A 64 3.955 2.025 -17.650 1.00 0.00 C ATOM 284 C SER A 64 2.608 1.421 -17.208 1.00 0.00 C ATOM 285 O SER A 64 1.862 2.080 -16.476 1.00 0.00 O ATOM 286 CB SER A 64 4.904 1.168 -18.517 1.00 0.00 C ATOM 287 OG SER A 64 4.278 0.388 -19.533 1.00 0.00 O ATOM 0 H SER A 64 4.714 3.582 -16.500 1.00 0.00 H new ATOM 0 HA SER A 64 3.545 2.812 -18.283 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.632 1.829 -18.988 1.00 0.00 H new ATOM 0 HB3 SER A 64 5.460 0.498 -17.861 1.00 0.00 H new ATOM 0 HG SER A 64 4.960 -0.115 -20.026 1.00 0.00 H new ATOM 288 N VAL A 65 2.315 0.183 -17.607 1.00 0.00 N ATOM 289 CA VAL A 65 0.977 -0.455 -17.605 1.00 0.00 C ATOM 290 C VAL A 65 0.358 -0.783 -16.231 1.00 0.00 C ATOM 291 O VAL A 65 0.369 -1.909 -15.731 1.00 0.00 O ATOM 292 CB VAL A 65 1.053 -1.644 -18.590 1.00 0.00 C ATOM 293 CG1 VAL A 65 2.023 -2.745 -18.147 1.00 0.00 C ATOM 294 CG2 VAL A 65 -0.327 -2.224 -18.894 1.00 0.00 C ATOM 0 H VAL A 65 3.037 -0.445 -17.961 1.00 0.00 H new ATOM 0 HA VAL A 65 0.244 0.279 -17.941 1.00 0.00 H new ATOM 0 HB VAL A 65 1.458 -1.227 -19.512 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.025 -3.547 -18.885 1.00 0.00 H new ATOM 0 HG12 VAL A 65 3.027 -2.331 -18.058 1.00 0.00 H new ATOM 0 HG13 VAL A 65 1.707 -3.141 -17.182 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.226 -3.057 -19.590 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.785 -2.577 -17.970 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.956 -1.453 -19.339 1.00 0.00 H new ATOM 295 N GLY A 66 -0.122 0.287 -15.589 1.00 0.00 N ATOM 296 CA GLY A 66 -0.747 0.226 -14.248 1.00 0.00 C ATOM 297 C GLY A 66 0.297 0.239 -13.121 1.00 0.00 C ATOM 298 O GLY A 66 0.050 0.678 -12.002 1.00 0.00 O ATOM 0 H GLY A 66 -0.091 1.228 -15.980 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.423 1.072 -14.125 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.351 -0.678 -14.171 1.00 0.00 H new ATOM 299 N GLU A 67 1.461 -0.314 -13.448 1.00 0.00 N ATOM 300 CA GLU A 67 2.620 -0.441 -12.575 1.00 0.00 C ATOM 301 C GLU A 67 3.086 0.863 -11.945 1.00 0.00 C ATOM 302 O GLU A 67 3.670 1.735 -12.585 1.00 0.00 O ATOM 303 CB GLU A 67 3.807 -0.930 -13.385 1.00 0.00 C ATOM 304 CG GLU A 67 3.561 -2.130 -14.307 1.00 0.00 C ATOM 305 CD GLU A 67 4.705 -2.283 -15.321 1.00 0.00 C ATOM 306 OE1 GLU A 67 5.762 -2.809 -14.932 1.00 0.00 O ATOM 307 OE2 GLU A 67 4.487 -1.863 -16.476 1.00 0.00 O ATOM 0 H GLU A 67 1.628 -0.705 -14.375 1.00 0.00 H new ATOM 0 HA GLU A 67 2.299 -1.123 -11.787 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.169 -0.101 -13.994 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.608 -1.191 -12.693 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.472 -3.039 -13.712 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.616 -2.001 -14.835 1.00 0.00 H new ATOM 308 N VAL A 68 2.866 0.939 -10.641 1.00 0.00 N ATOM 309 CA VAL A 68 3.168 2.176 -9.907 1.00 0.00 C ATOM 310 C VAL A 68 4.009 2.060 -8.641 1.00 0.00 C ATOM 311 O VAL A 68 3.833 1.233 -7.755 1.00 0.00 O ATOM 312 CB VAL A 68 1.886 2.919 -9.726 1.00 0.00 C ATOM 313 CG1 VAL A 68 0.936 2.313 -8.670 1.00 0.00 C ATOM 314 CG2 VAL A 68 1.987 4.392 -9.494 1.00 0.00 C ATOM 0 H VAL A 68 2.488 0.181 -10.072 1.00 0.00 H new ATOM 0 HA VAL A 68 3.864 2.747 -10.522 1.00 0.00 H new ATOM 0 HB VAL A 68 1.456 2.787 -10.719 1.00 0.00 H new ATOM 0 HG11 VAL A 68 0.031 2.917 -8.606 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.673 1.295 -8.958 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.432 2.298 -7.700 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.988 4.812 -9.379 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.566 4.579 -8.589 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.481 4.861 -10.345 1.00 0.00 H new ATOM 315 N TYR A 69 4.930 2.995 -8.669 1.00 0.00 N ATOM 316 CA TYR A 69 5.920 3.224 -7.612 1.00 0.00 C ATOM 317 C TYR A 69 5.398 4.244 -6.613 1.00 0.00 C ATOM 318 O TYR A 69 5.092 5.374 -6.997 1.00 0.00 O ATOM 319 CB TYR A 69 7.170 3.817 -8.254 1.00 0.00 C ATOM 320 CG TYR A 69 8.229 2.825 -8.756 1.00 0.00 C ATOM 321 CD1 TYR A 69 8.538 1.656 -8.022 1.00 0.00 C ATOM 322 CD2 TYR A 69 8.899 3.143 -9.960 1.00 0.00 C ATOM 323 CE1 TYR A 69 9.514 0.764 -8.535 1.00 0.00 C ATOM 324 CE2 TYR A 69 9.883 2.270 -10.446 1.00 0.00 C ATOM 325 CZ TYR A 69 10.180 1.093 -9.731 1.00 0.00 C ATOM 326 OH TYR A 69 11.064 0.210 -10.271 1.00 0.00 O ATOM 0 H TYR A 69 5.024 3.645 -9.449 1.00 0.00 H new ATOM 0 HA TYR A 69 6.128 2.281 -7.106 1.00 0.00 H new ATOM 0 HB2 TYR A 69 6.858 4.436 -9.096 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.642 4.480 -7.529 1.00 0.00 H new ATOM 0 HD1 TYR A 69 8.039 1.446 -7.087 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.656 4.047 -10.499 1.00 0.00 H new ATOM 0 HE1 TYR A 69 9.743 -0.155 -8.016 1.00 0.00 H new ATOM 0 HE2 TYR A 69 10.409 2.498 -11.361 1.00 0.00 H new ATOM 0 HH TYR A 69 11.438 0.585 -11.096 1.00 0.00 H new ATOM 327 N ILE A 70 5.213 3.820 -5.367 1.00 0.00 N ATOM 328 CA ILE A 70 4.572 4.713 -4.380 1.00 0.00 C ATOM 329 C ILE A 70 5.594 5.273 -3.390 1.00 0.00 C ATOM 330 O ILE A 70 5.870 4.747 -2.313 1.00 0.00 O ATOM 331 CB ILE A 70 3.340 4.044 -3.751 1.00 0.00 C ATOM 332 CG1 ILE A 70 2.409 3.659 -4.903 1.00 0.00 C ATOM 333 CG2 ILE A 70 2.581 5.024 -2.835 1.00 0.00 C ATOM 334 CD1 ILE A 70 1.565 2.401 -4.626 1.00 0.00 C ATOM 0 H ILE A 70 5.482 2.901 -5.015 1.00 0.00 H new ATOM 0 HA ILE A 70 4.179 5.594 -4.888 1.00 0.00 H new ATOM 0 HB ILE A 70 3.653 3.186 -3.156 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.741 4.494 -5.113 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.005 3.495 -5.800 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.714 4.522 -2.404 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.241 5.359 -2.035 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.250 5.884 -3.417 1.00 0.00 H new ATOM 0 HD11 ILE A 70 0.931 2.191 -5.487 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.225 1.552 -4.446 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.941 2.568 -3.748 1.00 0.00 H new ATOM 335 N LYS A 71 6.035 6.453 -3.808 1.00 0.00 N ATOM 336 CA LYS A 71 7.044 7.270 -3.123 1.00 0.00 C ATOM 337 C LYS A 71 6.362 8.172 -2.092 1.00 0.00 C ATOM 338 O LYS A 71 5.166 8.474 -2.163 1.00 0.00 O ATOM 339 CB LYS A 71 7.750 8.134 -4.178 1.00 0.00 C ATOM 340 CG LYS A 71 9.030 8.787 -3.660 1.00 0.00 C ATOM 341 CD LYS A 71 9.552 9.845 -4.628 1.00 0.00 C ATOM 342 CE LYS A 71 8.711 11.125 -4.534 1.00 0.00 C ATOM 343 NZ LYS A 71 9.173 12.084 -5.552 1.00 0.00 N ATOM 0 H LYS A 71 5.691 6.888 -4.664 1.00 0.00 H new ATOM 0 HA LYS A 71 7.764 6.633 -2.610 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.989 7.516 -5.044 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.066 8.911 -4.520 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.839 9.244 -2.689 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.793 8.024 -3.508 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.594 10.071 -4.401 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.524 9.459 -5.647 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.657 10.894 -4.687 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.801 11.561 -3.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.606 12.954 -5.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.174 12.311 -5.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.066 11.665 -6.498 1.00 0.00 H new ATOM 344 N SER A 72 7.154 8.567 -1.111 1.00 0.00 N ATOM 345 CA SER A 72 6.707 9.469 -0.042 1.00 0.00 C ATOM 346 C SER A 72 7.463 10.808 -0.050 1.00 0.00 C ATOM 347 O SER A 72 8.652 10.877 0.264 1.00 0.00 O ATOM 348 CB SER A 72 6.868 8.703 1.262 1.00 0.00 C ATOM 349 OG SER A 72 6.807 9.572 2.392 1.00 0.00 O ATOM 0 H SER A 72 8.128 8.276 -1.025 1.00 0.00 H new ATOM 0 HA SER A 72 5.665 9.755 -0.185 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.086 7.948 1.340 1.00 0.00 H new ATOM 0 HB3 SER A 72 7.822 8.175 1.259 1.00 0.00 H new ATOM 0 HG SER A 72 6.966 9.056 3.210 1.00 0.00 H new ATOM 350 N THR A 73 6.758 11.872 -0.368 1.00 0.00 N ATOM 351 CA THR A 73 7.253 13.259 -0.207 1.00 0.00 C ATOM 352 C THR A 73 7.307 13.746 1.257 1.00 0.00 C ATOM 353 O THR A 73 7.150 14.928 1.552 1.00 0.00 O ATOM 354 CB THR A 73 6.375 14.173 -1.059 1.00 0.00 C ATOM 355 OG1 THR A 73 5.021 13.692 -1.092 1.00 0.00 O ATOM 356 CG2 THR A 73 6.963 14.293 -2.471 1.00 0.00 C ATOM 0 H THR A 73 5.814 11.819 -0.751 1.00 0.00 H new ATOM 0 HA THR A 73 8.290 13.285 -0.541 1.00 0.00 H new ATOM 0 HB THR A 73 6.356 15.167 -0.611 1.00 0.00 H new ATOM 0 HG1 THR A 73 4.608 13.816 -0.212 1.00 0.00 H new ATOM 0 HG21 THR A 73 6.332 14.946 -3.074 1.00 0.00 H new ATOM 0 HG22 THR A 73 7.968 14.712 -2.412 1.00 0.00 H new ATOM 0 HG23 THR A 73 7.008 13.306 -2.932 1.00 0.00 H new ATOM 357 N GLU A 74 7.478 12.782 2.158 1.00 0.00 N ATOM 358 CA GLU A 74 7.490 12.971 3.627 1.00 0.00 C ATOM 359 C GLU A 74 8.640 12.170 4.257 1.00 0.00 C ATOM 360 O GLU A 74 9.438 12.695 5.026 1.00 0.00 O ATOM 361 CB GLU A 74 6.163 12.507 4.257 1.00 0.00 C ATOM 362 CG GLU A 74 4.907 13.302 3.861 1.00 0.00 C ATOM 363 CD GLU A 74 4.410 13.158 2.420 1.00 0.00 C ATOM 364 OE1 GLU A 74 4.445 12.021 1.875 1.00 0.00 O ATOM 365 OE2 GLU A 74 4.116 14.212 1.823 1.00 0.00 O ATOM 0 H GLU A 74 7.618 11.809 1.887 1.00 0.00 H new ATOM 0 HA GLU A 74 7.626 14.035 3.821 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.005 11.462 3.991 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.266 12.548 5.341 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.097 13.007 4.528 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.104 14.358 4.046 1.00 0.00 H new ATOM 366 N THR A 75 8.626 10.871 3.973 1.00 0.00 N ATOM 367 CA THR A 75 9.625 9.866 4.421 1.00 0.00 C ATOM 368 C THR A 75 10.612 9.450 3.303 1.00 0.00 C ATOM 369 O THR A 75 11.731 9.043 3.607 1.00 0.00 O ATOM 370 CB THR A 75 8.974 8.568 4.922 1.00 0.00 C ATOM 371 OG1 THR A 75 7.541 8.554 4.860 1.00 0.00 O ATOM 372 CG2 THR A 75 9.485 8.269 6.331 1.00 0.00 C ATOM 0 H THR A 75 7.891 10.457 3.400 1.00 0.00 H new ATOM 0 HA THR A 75 10.155 10.372 5.228 1.00 0.00 H new ATOM 0 HB THR A 75 9.273 7.775 4.237 1.00 0.00 H new ATOM 0 HG1 THR A 75 7.198 7.809 5.397 1.00 0.00 H new ATOM 0 HG21 THR A 75 9.029 7.349 6.696 1.00 0.00 H new ATOM 0 HG22 THR A 75 10.568 8.152 6.308 1.00 0.00 H new ATOM 0 HG23 THR A 75 9.223 9.092 6.995 1.00 0.00 H new ATOM 373 N GLY A 76 10.104 9.381 2.075 1.00 0.00 N ATOM 374 CA GLY A 76 10.864 8.932 0.881 1.00 0.00 C ATOM 375 C GLY A 76 10.594 7.464 0.521 1.00 0.00 C ATOM 376 O GLY A 76 10.276 7.159 -0.626 1.00 0.00 O ATOM 0 H GLY A 76 9.139 9.636 1.864 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.603 9.563 0.032 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.930 9.067 1.063 1.00 0.00 H new ATOM 377 N GLN A 77 10.652 6.638 1.568 1.00 0.00 N ATOM 378 CA GLN A 77 10.437 5.169 1.514 1.00 0.00 C ATOM 379 C GLN A 77 9.252 4.769 0.607 1.00 0.00 C ATOM 380 O GLN A 77 8.152 5.307 0.736 1.00 0.00 O ATOM 381 CB GLN A 77 10.174 4.630 2.920 1.00 0.00 C ATOM 382 CG GLN A 77 11.280 4.915 3.938 1.00 0.00 C ATOM 383 CD GLN A 77 10.849 4.505 5.356 1.00 0.00 C ATOM 384 OE1 GLN A 77 9.971 5.090 5.971 1.00 0.00 O ATOM 385 NE2 GLN A 77 11.482 3.499 5.896 1.00 0.00 N ATOM 0 H GLN A 77 10.855 6.971 2.510 1.00 0.00 H new ATOM 0 HA GLN A 77 11.345 4.738 1.092 1.00 0.00 H new ATOM 0 HB2 GLN A 77 9.242 5.058 3.289 1.00 0.00 H new ATOM 0 HB3 GLN A 77 10.027 3.552 2.858 1.00 0.00 H new ATOM 0 HG2 GLN A 77 12.184 4.373 3.659 1.00 0.00 H new ATOM 0 HG3 GLN A 77 11.527 5.976 3.923 1.00 0.00 H new ATOM 0 HE21 GLN A 77 12.214 3.017 5.374 1.00 0.00 H new ATOM 0 HE22 GLN A 77 11.245 3.195 6.840 1.00 0.00 H new ATOM 386 N TYR A 78 9.508 3.746 -0.195 1.00 0.00 N ATOM 387 CA TYR A 78 8.582 3.258 -1.229 1.00 0.00 C ATOM 388 C TYR A 78 7.729 2.116 -0.695 1.00 0.00 C ATOM 389 O TYR A 78 8.260 1.184 -0.078 1.00 0.00 O ATOM 390 CB TYR A 78 9.380 2.719 -2.432 1.00 0.00 C ATOM 391 CG TYR A 78 10.174 3.790 -3.166 1.00 0.00 C ATOM 392 CD1 TYR A 78 11.386 4.254 -2.592 1.00 0.00 C ATOM 393 CD2 TYR A 78 9.637 4.372 -4.332 1.00 0.00 C ATOM 394 CE1 TYR A 78 12.051 5.344 -3.174 1.00 0.00 C ATOM 395 CE2 TYR A 78 10.307 5.461 -4.922 1.00 0.00 C ATOM 396 CZ TYR A 78 11.504 5.939 -4.324 1.00 0.00 C ATOM 397 OH TYR A 78 12.123 7.019 -4.862 1.00 0.00 O ATOM 0 H TYR A 78 10.379 3.216 -0.152 1.00 0.00 H new ATOM 0 HA TYR A 78 7.945 4.092 -1.525 1.00 0.00 H new ATOM 0 HB2 TYR A 78 10.064 1.945 -2.086 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.691 2.246 -3.132 1.00 0.00 H new ATOM 0 HD1 TYR A 78 11.793 3.773 -1.715 1.00 0.00 H new ATOM 0 HD2 TYR A 78 8.726 3.989 -4.766 1.00 0.00 H new ATOM 0 HE1 TYR A 78 12.968 5.720 -2.745 1.00 0.00 H new ATOM 0 HE2 TYR A 78 9.917 5.926 -5.815 1.00 0.00 H new ATOM 0 HH TYR A 78 11.629 7.319 -5.653 1.00 0.00 H new ATOM 398 N LEU A 79 6.420 2.269 -0.845 1.00 0.00 N ATOM 399 CA LEU A 79 5.467 1.180 -0.522 1.00 0.00 C ATOM 400 C LEU A 79 5.893 -0.085 -1.268 1.00 0.00 C ATOM 401 O LEU A 79 6.080 -0.050 -2.477 1.00 0.00 O ATOM 402 CB LEU A 79 4.039 1.531 -0.917 1.00 0.00 C ATOM 403 CG LEU A 79 3.033 0.866 0.025 1.00 0.00 C ATOM 404 CD1 LEU A 79 3.150 1.451 1.431 1.00 0.00 C ATOM 405 CD2 LEU A 79 1.639 1.127 -0.530 1.00 0.00 C ATOM 0 H LEU A 79 5.982 3.125 -1.185 1.00 0.00 H new ATOM 0 HA LEU A 79 5.485 1.026 0.557 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.906 2.613 -0.893 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.851 1.210 -1.942 1.00 0.00 H new ATOM 0 HG LEU A 79 3.229 -0.204 0.089 1.00 0.00 H new ATOM 0 HD11 LEU A 79 2.427 0.967 2.088 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.157 1.283 1.813 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.949 2.522 1.397 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.896 0.665 0.120 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.462 2.201 -0.577 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.560 0.702 -1.531 1.00 0.00 H new ATOM 406 N ALA A 80 6.208 -1.102 -0.480 1.00 0.00 N ATOM 407 CA ALA A 80 6.867 -2.324 -1.000 1.00 0.00 C ATOM 408 C ALA A 80 6.333 -3.606 -0.360 1.00 0.00 C ATOM 409 O ALA A 80 5.907 -3.568 0.784 1.00 0.00 O ATOM 410 CB ALA A 80 8.342 -2.194 -0.683 1.00 0.00 C ATOM 0 H ALA A 80 6.024 -1.120 0.523 1.00 0.00 H new ATOM 0 HA ALA A 80 6.670 -2.402 -2.069 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.872 -3.074 -1.048 1.00 0.00 H new ATOM 0 HB2 ALA A 80 8.741 -1.303 -1.168 1.00 0.00 H new ATOM 0 HB3 ALA A 80 8.476 -2.111 0.396 1.00 0.00 H new ATOM 411 N MET A 81 6.522 -4.725 -1.047 1.00 0.00 N ATOM 412 CA MET A 81 6.123 -6.048 -0.504 1.00 0.00 C ATOM 413 C MET A 81 7.231 -7.100 -0.658 1.00 0.00 C ATOM 414 O MET A 81 7.994 -7.067 -1.607 1.00 0.00 O ATOM 415 CB MET A 81 4.792 -6.476 -1.128 1.00 0.00 C ATOM 416 CG MET A 81 4.223 -7.679 -0.366 1.00 0.00 C ATOM 417 SD MET A 81 2.417 -7.909 -0.564 1.00 0.00 S ATOM 418 CE MET A 81 1.785 -6.517 0.351 1.00 0.00 C ATOM 0 H MET A 81 6.944 -4.760 -1.975 1.00 0.00 H new ATOM 0 HA MET A 81 5.974 -5.957 0.572 1.00 0.00 H new ATOM 0 HB2 MET A 81 4.084 -5.648 -1.099 1.00 0.00 H new ATOM 0 HB3 MET A 81 4.938 -6.734 -2.177 1.00 0.00 H new ATOM 0 HG2 MET A 81 4.732 -8.582 -0.703 1.00 0.00 H new ATOM 0 HG3 MET A 81 4.449 -7.563 0.694 1.00 0.00 H new ATOM 0 HE1 MET A 81 0.764 -6.725 0.670 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.410 -6.343 1.227 1.00 0.00 H new ATOM 0 HE3 MET A 81 1.794 -5.631 -0.283 1.00 0.00 H new ATOM 419 N ASP A 82 7.432 -7.865 0.417 1.00 0.00 N ATOM 420 CA ASP A 82 8.369 -9.023 0.418 1.00 0.00 C ATOM 421 C ASP A 82 7.653 -10.341 0.133 1.00 0.00 C ATOM 422 O ASP A 82 6.526 -10.574 0.571 1.00 0.00 O ATOM 423 CB ASP A 82 9.076 -9.211 1.762 1.00 0.00 C ATOM 424 CG ASP A 82 10.073 -8.117 2.164 1.00 0.00 C ATOM 425 OD1 ASP A 82 11.154 -8.071 1.541 1.00 0.00 O ATOM 426 OD2 ASP A 82 9.758 -7.398 3.132 1.00 0.00 O ATOM 0 H ASP A 82 6.962 -7.713 1.309 1.00 0.00 H new ATOM 0 HA ASP A 82 9.090 -8.786 -0.365 1.00 0.00 H new ATOM 0 HB2 ASP A 82 8.317 -9.285 2.541 1.00 0.00 H new ATOM 0 HB3 ASP A 82 9.604 -10.164 1.740 1.00 0.00 H new ATOM 427 N THR A 83 8.508 -11.268 -0.275 1.00 0.00 N ATOM 428 CA THR A 83 8.196 -12.705 -0.498 1.00 0.00 C ATOM 429 C THR A 83 7.627 -13.404 0.748 1.00 0.00 C ATOM 430 O THR A 83 6.874 -14.365 0.639 1.00 0.00 O ATOM 431 CB THR A 83 9.444 -13.493 -0.889 1.00 0.00 C ATOM 432 OG1 THR A 83 10.549 -13.055 -0.104 1.00 0.00 O ATOM 433 CG2 THR A 83 9.739 -13.401 -2.388 1.00 0.00 C ATOM 0 H THR A 83 9.484 -11.048 -0.473 1.00 0.00 H new ATOM 0 HA THR A 83 7.452 -12.700 -1.295 1.00 0.00 H new ATOM 0 HB THR A 83 9.264 -14.548 -0.683 1.00 0.00 H new ATOM 0 HG1 THR A 83 11.349 -13.562 -0.354 1.00 0.00 H new ATOM 0 HG21 THR A 83 10.635 -13.977 -2.618 1.00 0.00 H new ATOM 0 HG22 THR A 83 8.896 -13.802 -2.950 1.00 0.00 H new ATOM 0 HG23 THR A 83 9.897 -12.358 -2.665 1.00 0.00 H new ATOM 434 N ASP A 84 8.035 -12.903 1.915 1.00 0.00 N ATOM 435 CA ASP A 84 7.515 -13.356 3.217 1.00 0.00 C ATOM 436 C ASP A 84 6.030 -13.050 3.498 1.00 0.00 C ATOM 437 O ASP A 84 5.516 -13.362 4.574 1.00 0.00 O ATOM 438 CB ASP A 84 8.379 -12.751 4.337 1.00 0.00 C ATOM 439 CG ASP A 84 9.850 -13.176 4.249 1.00 0.00 C ATOM 440 OD1 ASP A 84 10.153 -14.315 4.669 1.00 0.00 O ATOM 441 OD2 ASP A 84 10.612 -12.363 3.691 1.00 0.00 O ATOM 0 H ASP A 84 8.738 -12.168 1.990 1.00 0.00 H new ATOM 0 HA ASP A 84 7.574 -14.444 3.185 1.00 0.00 H new ATOM 0 HB2 ASP A 84 8.316 -11.664 4.291 1.00 0.00 H new ATOM 0 HB3 ASP A 84 7.976 -13.053 5.304 1.00 0.00 H new ATOM 442 N GLY A 85 5.417 -12.378 2.534 1.00 0.00 N ATOM 443 CA GLY A 85 4.000 -11.986 2.555 1.00 0.00 C ATOM 444 C GLY A 85 3.725 -10.795 3.452 1.00 0.00 C ATOM 445 O GLY A 85 2.916 -10.910 4.371 1.00 0.00 O ATOM 0 H GLY A 85 5.899 -12.078 1.687 1.00 0.00 H new ATOM 0 HA2 GLY A 85 3.679 -11.751 1.540 1.00 0.00 H new ATOM 0 HA3 GLY A 85 3.400 -12.832 2.891 1.00 0.00 H new ATOM 446 N LEU A 86 4.280 -9.649 3.056 1.00 0.00 N ATOM 447 CA LEU A 86 4.237 -8.417 3.887 1.00 0.00 C ATOM 448 C LEU A 86 4.771 -7.145 3.211 1.00 0.00 C ATOM 449 O LEU A 86 5.789 -7.136 2.526 1.00 0.00 O ATOM 450 CB LEU A 86 4.897 -8.667 5.244 1.00 0.00 C ATOM 451 CG LEU A 86 6.322 -9.215 5.130 1.00 0.00 C ATOM 452 CD1 LEU A 86 7.303 -8.048 5.193 1.00 0.00 C ATOM 453 CD2 LEU A 86 6.590 -10.199 6.273 1.00 0.00 C ATOM 0 H LEU A 86 4.767 -9.535 2.167 1.00 0.00 H new ATOM 0 HA LEU A 86 3.179 -8.202 4.033 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.917 -7.735 5.808 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.289 -9.370 5.813 1.00 0.00 H new ATOM 0 HG LEU A 86 6.446 -9.742 4.184 1.00 0.00 H new ATOM 0 HD11 LEU A 86 8.323 -8.425 5.113 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.104 -7.361 4.370 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.184 -7.523 6.141 1.00 0.00 H new ATOM 0 HD21 LEU A 86 7.605 -10.587 6.189 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.476 -9.687 7.228 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.880 -11.024 6.216 1.00 0.00 H new ATOM 454 N LEU A 87 4.080 -6.071 3.574 1.00 0.00 N ATOM 455 CA LEU A 87 4.355 -4.690 3.169 1.00 0.00 C ATOM 456 C LEU A 87 5.347 -3.971 4.091 1.00 0.00 C ATOM 457 O LEU A 87 5.167 -3.884 5.310 1.00 0.00 O ATOM 458 CB LEU A 87 3.039 -3.901 2.941 1.00 0.00 C ATOM 459 CG LEU A 87 2.005 -3.751 4.079 1.00 0.00 C ATOM 460 CD1 LEU A 87 0.634 -3.474 3.478 1.00 0.00 C ATOM 461 CD2 LEU A 87 1.735 -4.997 4.918 1.00 0.00 C ATOM 0 H LEU A 87 3.270 -6.139 4.191 1.00 0.00 H new ATOM 0 HA LEU A 87 4.867 -4.736 2.208 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.318 -2.896 2.626 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.526 -4.368 2.100 1.00 0.00 H new ATOM 0 HG LEU A 87 2.441 -2.969 4.701 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.099 -3.367 4.278 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.671 -2.554 2.895 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.347 -4.302 2.830 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.993 -4.767 5.683 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.359 -5.794 4.276 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.660 -5.322 5.395 1.00 0.00 H new ATOM 462 N TYR A 88 6.419 -3.502 3.469 1.00 0.00 N ATOM 463 CA TYR A 88 7.596 -2.907 4.132 1.00 0.00 C ATOM 464 C TYR A 88 8.068 -1.549 3.585 1.00 0.00 C ATOM 465 O TYR A 88 7.888 -1.239 2.413 1.00 0.00 O ATOM 466 CB TYR A 88 8.783 -3.883 4.204 1.00 0.00 C ATOM 467 CG TYR A 88 9.508 -4.233 2.898 1.00 0.00 C ATOM 468 CD1 TYR A 88 8.786 -4.746 1.799 1.00 0.00 C ATOM 469 CD2 TYR A 88 10.916 -4.132 2.880 1.00 0.00 C ATOM 470 CE1 TYR A 88 9.497 -5.153 0.651 1.00 0.00 C ATOM 471 CE2 TYR A 88 11.617 -4.557 1.740 1.00 0.00 C ATOM 472 CZ TYR A 88 10.892 -5.049 0.636 1.00 0.00 C ATOM 473 OH TYR A 88 11.543 -5.392 -0.514 1.00 0.00 O ATOM 0 H TYR A 88 6.507 -3.521 2.453 1.00 0.00 H new ATOM 0 HA TYR A 88 7.224 -2.702 5.136 1.00 0.00 H new ATOM 0 HB2 TYR A 88 9.518 -3.465 4.892 1.00 0.00 H new ATOM 0 HB3 TYR A 88 8.425 -4.812 4.646 1.00 0.00 H new ATOM 0 HD1 TYR A 88 7.710 -4.825 1.836 1.00 0.00 H new ATOM 0 HD2 TYR A 88 11.447 -3.733 3.732 1.00 0.00 H new ATOM 0 HE1 TYR A 88 8.970 -5.541 -0.208 1.00 0.00 H new ATOM 0 HE2 TYR A 88 12.695 -4.508 1.710 1.00 0.00 H new ATOM 0 HH TYR A 88 12.508 -5.274 -0.391 1.00 0.00 H new ATOM 474 N GLY A 89 8.828 -0.872 4.453 1.00 0.00 N ATOM 475 CA GLY A 89 9.405 0.465 4.224 1.00 0.00 C ATOM 476 C GLY A 89 10.680 0.478 3.373 1.00 0.00 C ATOM 477 O GLY A 89 11.672 1.092 3.760 1.00 0.00 O ATOM 0 H GLY A 89 9.069 -1.251 5.369 1.00 0.00 H new ATOM 0 HA2 GLY A 89 8.655 1.091 3.740 1.00 0.00 H new ATOM 0 HA3 GLY A 89 9.625 0.921 5.190 1.00 0.00 H new ATOM 478 N SER A 90 10.588 -0.102 2.178 1.00 0.00 N ATOM 479 CA SER A 90 11.722 -0.201 1.247 1.00 0.00 C ATOM 480 C SER A 90 12.112 1.133 0.598 1.00 0.00 C ATOM 481 O SER A 90 11.458 1.640 -0.306 1.00 0.00 O ATOM 482 CB SER A 90 11.513 -1.297 0.199 1.00 0.00 C ATOM 483 OG SER A 90 12.473 -1.247 -0.863 1.00 0.00 O ATOM 0 H SER A 90 9.727 -0.518 1.823 1.00 0.00 H new ATOM 0 HA SER A 90 12.573 -0.489 1.865 1.00 0.00 H new ATOM 0 HB2 SER A 90 11.567 -2.271 0.685 1.00 0.00 H new ATOM 0 HB3 SER A 90 10.511 -1.205 -0.220 1.00 0.00 H new ATOM 0 HG SER A 90 12.232 -0.532 -1.488 1.00 0.00 H new ATOM 484 N GLN A 91 13.206 1.674 1.116 1.00 0.00 N ATOM 485 CA GLN A 91 13.887 2.884 0.600 1.00 0.00 C ATOM 486 C GLN A 91 14.199 2.797 -0.907 1.00 0.00 C ATOM 487 O GLN A 91 14.308 3.814 -1.589 1.00 0.00 O ATOM 488 CB GLN A 91 15.209 3.039 1.346 1.00 0.00 C ATOM 489 CG GLN A 91 15.039 3.575 2.771 1.00 0.00 C ATOM 490 CD GLN A 91 16.401 3.648 3.472 1.00 0.00 C ATOM 491 OE1 GLN A 91 16.955 2.659 3.918 1.00 0.00 O ATOM 492 NE2 GLN A 91 16.975 4.823 3.548 1.00 0.00 N ATOM 0 H GLN A 91 13.670 1.280 1.934 1.00 0.00 H new ATOM 0 HA GLN A 91 13.219 3.731 0.754 1.00 0.00 H new ATOM 0 HB2 GLN A 91 15.712 2.073 1.386 1.00 0.00 H new ATOM 0 HB3 GLN A 91 15.858 3.713 0.786 1.00 0.00 H new ATOM 0 HG2 GLN A 91 14.582 4.564 2.744 1.00 0.00 H new ATOM 0 HG3 GLN A 91 14.366 2.928 3.333 1.00 0.00 H new ATOM 0 HE21 GLN A 91 16.504 5.646 3.172 1.00 0.00 H new ATOM 0 HE22 GLN A 91 17.893 4.915 3.983 1.00 0.00 H new ATOM 493 N THR A 92 14.566 1.589 -1.311 1.00 0.00 N ATOM 494 CA THR A 92 14.765 1.159 -2.709 1.00 0.00 C ATOM 495 C THR A 92 13.434 1.006 -3.461 1.00 0.00 C ATOM 496 O THR A 92 12.477 0.472 -2.897 1.00 0.00 O ATOM 497 CB THR A 92 15.444 -0.218 -2.728 1.00 0.00 C ATOM 498 OG1 THR A 92 15.133 -0.963 -1.542 1.00 0.00 O ATOM 499 CG2 THR A 92 16.948 -0.088 -2.940 1.00 0.00 C ATOM 0 H THR A 92 14.745 0.836 -0.647 1.00 0.00 H new ATOM 0 HA THR A 92 15.372 1.925 -3.192 1.00 0.00 H new ATOM 0 HB THR A 92 15.048 -0.778 -3.575 1.00 0.00 H new ATOM 0 HG1 THR A 92 14.161 -1.000 -1.424 1.00 0.00 H new ATOM 0 HG21 THR A 92 17.401 -1.079 -2.949 1.00 0.00 H new ATOM 0 HG22 THR A 92 17.140 0.407 -3.892 1.00 0.00 H new ATOM 0 HG23 THR A 92 17.380 0.501 -2.131 1.00 0.00 H new ATOM 500 N PRO A 93 13.404 1.385 -4.750 1.00 0.00 N ATOM 501 CA PRO A 93 12.357 0.893 -5.633 1.00 0.00 C ATOM 502 C PRO A 93 12.811 -0.306 -6.469 1.00 0.00 C ATOM 503 O PRO A 93 13.948 -0.404 -6.934 1.00 0.00 O ATOM 504 CB PRO A 93 11.959 2.051 -6.525 1.00 0.00 C ATOM 505 CG PRO A 93 13.270 2.838 -6.654 1.00 0.00 C ATOM 506 CD PRO A 93 14.017 2.579 -5.334 1.00 0.00 C ATOM 0 HA PRO A 93 11.514 0.536 -5.042 1.00 0.00 H new ATOM 0 HB2 PRO A 93 11.594 1.710 -7.494 1.00 0.00 H new ATOM 0 HB3 PRO A 93 11.167 2.653 -6.079 1.00 0.00 H new ATOM 0 HG2 PRO A 93 13.852 2.499 -7.511 1.00 0.00 H new ATOM 0 HG3 PRO A 93 13.080 3.902 -6.799 1.00 0.00 H new ATOM 0 HD2 PRO A 93 15.081 2.424 -5.512 1.00 0.00 H new ATOM 0 HD3 PRO A 93 13.928 3.432 -4.661 1.00 0.00 H new ATOM 507 N ASN A 94 12.019 -1.350 -6.287 1.00 0.00 N ATOM 508 CA ASN A 94 12.136 -2.608 -7.038 1.00 0.00 C ATOM 509 C ASN A 94 10.732 -3.019 -7.519 1.00 0.00 C ATOM 510 O ASN A 94 9.760 -2.284 -7.320 1.00 0.00 O ATOM 511 CB ASN A 94 12.815 -3.591 -6.067 1.00 0.00 C ATOM 512 CG ASN A 94 12.914 -5.048 -6.555 1.00 0.00 C ATOM 513 OD1 ASN A 94 12.023 -5.855 -6.355 1.00 0.00 O ATOM 514 ND2 ASN A 94 13.950 -5.340 -7.303 1.00 0.00 N ATOM 0 H ASN A 94 11.261 -1.356 -5.604 1.00 0.00 H new ATOM 0 HA ASN A 94 12.738 -2.554 -7.945 1.00 0.00 H new ATOM 0 HB2 ASN A 94 13.821 -3.228 -5.856 1.00 0.00 H new ATOM 0 HB3 ASN A 94 12.268 -3.579 -5.125 1.00 0.00 H new ATOM 0 HD21 ASN A 94 14.024 -6.261 -7.734 1.00 0.00 H new ATOM 0 HD22 ASN A 94 14.682 -4.646 -7.454 1.00 0.00 H new ATOM 515 N GLU A 95 10.603 -4.182 -8.159 1.00 0.00 N ATOM 516 CA GLU A 95 9.298 -4.809 -8.479 1.00 0.00 C ATOM 517 C GLU A 95 8.383 -4.899 -7.247 1.00 0.00 C ATOM 518 O GLU A 95 7.177 -4.707 -7.319 1.00 0.00 O ATOM 519 CB GLU A 95 9.547 -6.258 -8.878 1.00 0.00 C ATOM 520 CG GLU A 95 10.456 -6.443 -10.096 1.00 0.00 C ATOM 521 CD GLU A 95 9.777 -5.922 -11.362 1.00 0.00 C ATOM 522 OE1 GLU A 95 9.012 -6.720 -11.945 1.00 0.00 O ATOM 523 OE2 GLU A 95 10.024 -4.739 -11.682 1.00 0.00 O ATOM 0 H GLU A 95 11.403 -4.729 -8.477 1.00 0.00 H new ATOM 0 HA GLU A 95 8.835 -4.203 -9.258 1.00 0.00 H new ATOM 0 HB2 GLU A 95 9.988 -6.783 -8.030 1.00 0.00 H new ATOM 0 HB3 GLU A 95 8.588 -6.733 -9.083 1.00 0.00 H new ATOM 0 HG2 GLU A 95 11.396 -5.914 -9.938 1.00 0.00 H new ATOM 0 HG3 GLU A 95 10.700 -7.498 -10.217 1.00 0.00 H new ATOM 524 N GLU A 96 9.028 -5.188 -6.125 1.00 0.00 N ATOM 525 CA GLU A 96 8.406 -5.260 -4.793 1.00 0.00 C ATOM 526 C GLU A 96 7.647 -3.976 -4.412 1.00 0.00 C ATOM 527 O GLU A 96 6.516 -4.033 -3.931 1.00 0.00 O ATOM 528 CB GLU A 96 9.547 -5.494 -3.806 1.00 0.00 C ATOM 529 CG GLU A 96 10.016 -6.939 -4.005 1.00 0.00 C ATOM 530 CD GLU A 96 10.900 -7.485 -2.876 1.00 0.00 C ATOM 531 OE1 GLU A 96 12.071 -7.066 -2.849 1.00 0.00 O ATOM 532 OE2 GLU A 96 10.454 -8.469 -2.236 1.00 0.00 O ATOM 0 H GLU A 96 10.028 -5.386 -6.107 1.00 0.00 H new ATOM 0 HA GLU A 96 7.665 -6.059 -4.781 1.00 0.00 H new ATOM 0 HB2 GLU A 96 10.363 -4.794 -3.986 1.00 0.00 H new ATOM 0 HB3 GLU A 96 9.211 -5.334 -2.782 1.00 0.00 H new ATOM 0 HG2 GLU A 96 9.141 -7.581 -4.106 1.00 0.00 H new ATOM 0 HG3 GLU A 96 10.567 -7.002 -4.943 1.00 0.00 H new ATOM 533 N CYS A 97 8.223 -2.876 -4.884 1.00 0.00 N ATOM 534 CA CYS A 97 7.819 -1.506 -4.555 1.00 0.00 C ATOM 535 C CYS A 97 6.949 -0.881 -5.662 1.00 0.00 C ATOM 536 O CYS A 97 6.333 0.176 -5.514 1.00 0.00 O ATOM 537 CB CYS A 97 9.109 -0.713 -4.321 1.00 0.00 C ATOM 538 SG CYS A 97 10.471 -1.672 -3.546 1.00 0.00 S ATOM 0 H CYS A 97 9.012 -2.910 -5.529 1.00 0.00 H new ATOM 0 HA CYS A 97 7.194 -1.493 -3.662 1.00 0.00 H new ATOM 0 HB2 CYS A 97 9.457 -0.322 -5.277 1.00 0.00 H new ATOM 0 HB3 CYS A 97 8.882 0.145 -3.689 1.00 0.00 H new ATOM 0 HG CYS A 97 11.490 -0.891 -3.342 1.00 0.00 H new ATOM 539 N LEU A 98 6.950 -1.584 -6.798 1.00 0.00 N ATOM 540 CA LEU A 98 6.109 -1.313 -7.965 1.00 0.00 C ATOM 541 C LEU A 98 4.844 -2.162 -7.868 1.00 0.00 C ATOM 542 O LEU A 98 4.854 -3.319 -7.462 1.00 0.00 O ATOM 543 CB LEU A 98 6.894 -1.656 -9.232 1.00 0.00 C ATOM 544 CG LEU A 98 6.262 -0.981 -10.465 1.00 0.00 C ATOM 545 CD1 LEU A 98 6.287 0.508 -10.385 1.00 0.00 C ATOM 546 CD2 LEU A 98 7.162 -1.307 -11.643 1.00 0.00 C ATOM 0 H LEU A 98 7.561 -2.389 -6.934 1.00 0.00 H new ATOM 0 HA LEU A 98 5.827 -0.261 -8.000 1.00 0.00 H new ATOM 0 HB2 LEU A 98 7.929 -1.331 -9.124 1.00 0.00 H new ATOM 0 HB3 LEU A 98 6.913 -2.737 -9.373 1.00 0.00 H new ATOM 0 HG LEU A 98 5.232 -1.330 -10.543 1.00 0.00 H new ATOM 0 HD11 LEU A 98 5.829 0.928 -11.280 1.00 0.00 H new ATOM 0 HD12 LEU A 98 5.732 0.835 -9.506 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.319 0.851 -10.310 1.00 0.00 H new ATOM 0 HD21 LEU A 98 6.758 -0.851 -12.547 1.00 0.00 H new ATOM 0 HD22 LEU A 98 8.162 -0.917 -11.455 1.00 0.00 H new ATOM 0 HD23 LEU A 98 7.213 -2.388 -11.774 1.00 0.00 H new ATOM 547 N PHE A 99 3.748 -1.463 -8.115 1.00 0.00 N ATOM 548 CA PHE A 99 2.398 -1.995 -7.942 1.00 0.00 C ATOM 549 C PHE A 99 1.375 -1.675 -9.033 1.00 0.00 C ATOM 550 O PHE A 99 1.093 -0.519 -9.320 1.00 0.00 O ATOM 551 CB PHE A 99 1.776 -1.464 -6.655 1.00 0.00 C ATOM 552 CG PHE A 99 2.399 -1.992 -5.365 1.00 0.00 C ATOM 553 CD1 PHE A 99 3.440 -1.255 -4.767 1.00 0.00 C ATOM 554 CD2 PHE A 99 1.787 -3.063 -4.677 1.00 0.00 C ATOM 555 CE1 PHE A 99 3.851 -1.594 -3.456 1.00 0.00 C ATOM 556 CE2 PHE A 99 2.207 -3.414 -3.382 1.00 0.00 C ATOM 557 CZ PHE A 99 3.237 -2.664 -2.782 1.00 0.00 C ATOM 0 H PHE A 99 3.767 -0.498 -8.445 1.00 0.00 H new ATOM 0 HA PHE A 99 2.576 -3.070 -7.956 1.00 0.00 H new ATOM 0 HB2 PHE A 99 1.850 -0.377 -6.657 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.714 -1.711 -6.655 1.00 0.00 H new ATOM 0 HD1 PHE A 99 3.916 -0.445 -5.300 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.990 -3.617 -5.150 1.00 0.00 H new ATOM 0 HE1 PHE A 99 4.636 -1.031 -2.973 1.00 0.00 H new ATOM 0 HE2 PHE A 99 1.750 -4.241 -2.859 1.00 0.00 H new ATOM 0 HZ PHE A 99 3.562 -2.916 -1.783 1.00 0.00 H new ATOM 558 N LEU A 100 0.629 -2.681 -9.461 1.00 0.00 N ATOM 559 CA LEU A 100 -0.386 -2.464 -10.507 1.00 0.00 C ATOM 560 C LEU A 100 -1.689 -1.839 -10.053 1.00 0.00 C ATOM 561 O LEU A 100 -2.363 -2.331 -9.156 1.00 0.00 O ATOM 562 CB LEU A 100 -0.700 -3.740 -11.305 1.00 0.00 C ATOM 563 CG LEU A 100 0.377 -4.043 -12.341 1.00 0.00 C ATOM 564 CD1 LEU A 100 1.626 -4.610 -11.656 1.00 0.00 C ATOM 565 CD2 LEU A 100 -0.133 -5.073 -13.349 1.00 0.00 C ATOM 0 H LEU A 100 0.695 -3.639 -9.117 1.00 0.00 H new ATOM 0 HA LEU A 100 0.103 -1.729 -11.146 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -0.792 -4.583 -10.620 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -1.663 -3.628 -11.804 1.00 0.00 H new ATOM 0 HG LEU A 100 0.625 -3.114 -12.854 1.00 0.00 H new ATOM 0 HD11 LEU A 100 2.388 -4.822 -12.406 1.00 0.00 H new ATOM 0 HD12 LEU A 100 2.012 -3.882 -10.943 1.00 0.00 H new ATOM 0 HD13 LEU A 100 1.367 -5.530 -11.131 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.646 -5.280 -14.083 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.395 -5.994 -12.828 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -1.014 -4.680 -13.856 1.00 0.00 H new ATOM 566 N GLU A 101 -1.955 -0.729 -10.725 1.00 0.00 N ATOM 567 CA GLU A 101 -3.186 0.063 -10.566 1.00 0.00 C ATOM 568 C GLU A 101 -4.444 -0.657 -11.083 1.00 0.00 C ATOM 569 O GLU A 101 -4.878 -0.548 -12.239 1.00 0.00 O ATOM 570 CB GLU A 101 -3.063 1.435 -11.195 1.00 0.00 C ATOM 571 CG GLU A 101 -2.375 2.426 -10.255 1.00 0.00 C ATOM 572 CD GLU A 101 -2.140 3.794 -10.905 1.00 0.00 C ATOM 573 OE1 GLU A 101 -1.597 3.813 -12.039 1.00 0.00 O ATOM 574 OE2 GLU A 101 -2.413 4.789 -10.208 1.00 0.00 O ATOM 0 H GLU A 101 -1.313 -0.337 -11.414 1.00 0.00 H new ATOM 0 HA GLU A 101 -3.311 0.188 -9.490 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.497 1.361 -12.124 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -4.054 1.807 -11.455 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -2.984 2.554 -9.360 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -1.419 2.012 -9.934 1.00 0.00 H new ATOM 575 N ARG A 102 -4.919 -1.480 -10.180 1.00 0.00 N ATOM 576 CA ARG A 102 -6.146 -2.277 -10.310 1.00 0.00 C ATOM 577 C ARG A 102 -7.323 -1.392 -9.884 1.00 0.00 C ATOM 578 O ARG A 102 -7.655 -1.221 -8.709 1.00 0.00 O ATOM 579 CB ARG A 102 -6.037 -3.463 -9.355 1.00 0.00 C ATOM 580 CG ARG A 102 -4.878 -4.434 -9.573 1.00 0.00 C ATOM 581 CD ARG A 102 -5.037 -5.235 -10.864 1.00 0.00 C ATOM 582 NE ARG A 102 -6.244 -6.087 -10.812 1.00 0.00 N ATOM 583 CZ ARG A 102 -7.297 -6.034 -11.627 1.00 0.00 C ATOM 584 NH1 ARG A 102 -7.418 -5.163 -12.626 1.00 0.00 N ATOM 585 NH2 ARG A 102 -8.287 -6.891 -11.462 1.00 0.00 N ATOM 0 H ARG A 102 -4.449 -1.630 -9.287 1.00 0.00 H new ATOM 0 HA ARG A 102 -6.289 -2.630 -11.331 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -5.964 -3.073 -8.340 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -6.967 -4.029 -9.413 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -3.941 -3.878 -9.604 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -4.815 -5.119 -8.727 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -5.104 -4.554 -11.713 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -4.155 -5.856 -11.022 1.00 0.00 H new ATOM 0 HE ARG A 102 -6.274 -6.790 -10.074 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -6.678 -4.484 -12.803 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -8.251 -5.175 -13.215 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -8.242 -7.585 -10.716 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -9.098 -6.859 -12.080 1.00 0.00 H new ATOM 586 N LEU A 103 -8.009 -0.899 -10.906 1.00 0.00 N ATOM 587 CA LEU A 103 -9.072 0.092 -10.711 1.00 0.00 C ATOM 588 C LEU A 103 -10.485 -0.490 -10.867 1.00 0.00 C ATOM 589 O LEU A 103 -10.956 -0.843 -11.953 1.00 0.00 O ATOM 590 CB LEU A 103 -8.863 1.311 -11.612 1.00 0.00 C ATOM 591 CG LEU A 103 -9.750 2.520 -11.283 1.00 0.00 C ATOM 592 CD1 LEU A 103 -9.702 2.906 -9.807 1.00 0.00 C ATOM 593 CD2 LEU A 103 -9.370 3.722 -12.150 1.00 0.00 C ATOM 0 H LEU A 103 -7.853 -1.165 -11.878 1.00 0.00 H new ATOM 0 HA LEU A 103 -8.998 0.417 -9.673 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -7.819 1.617 -11.547 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -9.045 1.016 -12.645 1.00 0.00 H new ATOM 0 HG LEU A 103 -10.774 2.220 -11.505 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -10.348 3.767 -9.635 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -10.045 2.068 -9.200 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -8.679 3.160 -9.530 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -10.011 4.568 -11.901 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -8.329 3.989 -11.966 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -9.499 3.467 -13.202 1.00 0.00 H new ATOM 594 N GLU A 104 -11.185 -0.260 -9.769 1.00 0.00 N ATOM 595 CA GLU A 104 -12.592 -0.667 -9.533 1.00 0.00 C ATOM 596 C GLU A 104 -13.631 0.274 -10.170 1.00 0.00 C ATOM 597 O GLU A 104 -14.814 0.228 -9.823 1.00 0.00 O ATOM 598 CB GLU A 104 -12.818 -0.702 -8.009 1.00 0.00 C ATOM 599 CG GLU A 104 -12.066 -1.835 -7.307 1.00 0.00 C ATOM 600 CD GLU A 104 -12.649 -3.214 -7.675 1.00 0.00 C ATOM 601 OE1 GLU A 104 -12.251 -3.757 -8.723 1.00 0.00 O ATOM 602 OE2 GLU A 104 -13.507 -3.677 -6.895 1.00 0.00 O ATOM 0 H GLU A 104 -10.786 0.236 -8.972 1.00 0.00 H new ATOM 0 HA GLU A 104 -12.735 -1.640 -10.002 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -12.506 0.251 -7.581 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -13.885 -0.806 -7.810 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -11.012 -1.799 -7.583 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -12.118 -1.693 -6.227 1.00 0.00 H new ATOM 603 N GLU A 105 -13.206 0.943 -11.241 1.00 0.00 N ATOM 604 CA GLU A 105 -13.873 2.110 -11.877 1.00 0.00 C ATOM 605 C GLU A 105 -14.159 3.303 -10.963 1.00 0.00 C ATOM 606 O GLU A 105 -13.838 4.449 -11.276 1.00 0.00 O ATOM 607 CB GLU A 105 -15.151 1.689 -12.625 1.00 0.00 C ATOM 608 CG GLU A 105 -14.819 0.802 -13.824 1.00 0.00 C ATOM 609 CD GLU A 105 -16.045 0.605 -14.717 1.00 0.00 C ATOM 610 OE1 GLU A 105 -16.472 1.627 -15.314 1.00 0.00 O ATOM 611 OE2 GLU A 105 -16.484 -0.559 -14.837 1.00 0.00 O ATOM 0 H GLU A 105 -12.345 0.684 -11.723 1.00 0.00 H new ATOM 0 HA GLU A 105 -13.128 2.475 -12.584 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -15.814 1.154 -11.945 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -15.688 2.576 -12.962 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -14.012 1.253 -14.402 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -14.459 -0.166 -13.476 1.00 0.00 H new ATOM 612 N ASN A 106 -14.745 2.956 -9.833 1.00 0.00 N ATOM 613 CA ASN A 106 -14.759 3.754 -8.598 1.00 0.00 C ATOM 614 C ASN A 106 -13.285 4.027 -8.255 1.00 0.00 C ATOM 615 O ASN A 106 -12.423 3.242 -8.630 1.00 0.00 O ATOM 616 CB ASN A 106 -15.379 2.800 -7.567 1.00 0.00 C ATOM 617 CG ASN A 106 -15.869 3.517 -6.303 1.00 0.00 C ATOM 618 OD1 ASN A 106 -15.102 4.142 -5.583 1.00 0.00 O ATOM 619 ND2 ASN A 106 -17.130 3.406 -5.989 1.00 0.00 N ATOM 0 H ASN A 106 -15.249 2.075 -9.735 1.00 0.00 H new ATOM 0 HA ASN A 106 -15.300 4.699 -8.650 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -16.215 2.273 -8.026 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -14.642 2.047 -7.288 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -17.484 3.842 -5.137 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -17.762 2.883 -6.595 1.00 0.00 H new ATOM 620 N HIS A 107 -13.048 4.952 -7.332 1.00 0.00 N ATOM 621 CA HIS A 107 -11.694 5.476 -7.025 1.00 0.00 C ATOM 622 C HIS A 107 -10.775 4.532 -6.238 1.00 0.00 C ATOM 623 O HIS A 107 -9.643 4.879 -5.884 1.00 0.00 O ATOM 624 CB HIS A 107 -11.848 6.824 -6.301 1.00 0.00 C ATOM 625 CG HIS A 107 -12.750 7.796 -7.069 1.00 0.00 C ATOM 626 ND1 HIS A 107 -13.221 7.636 -8.306 1.00 0.00 N ATOM 627 CD2 HIS A 107 -13.407 8.802 -6.513 1.00 0.00 C ATOM 628 CE1 HIS A 107 -14.192 8.524 -8.497 1.00 0.00 C ATOM 629 NE2 HIS A 107 -14.291 9.247 -7.394 1.00 0.00 N ATOM 0 H HIS A 107 -13.785 5.371 -6.764 1.00 0.00 H new ATOM 0 HA HIS A 107 -11.184 5.589 -7.982 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -12.263 6.655 -5.307 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -10.865 7.275 -6.164 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -13.250 9.191 -5.518 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -14.790 8.635 -9.389 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -14.940 10.019 -7.246 1.00 0.00 H new ATOM 630 N TYR A 108 -11.222 3.279 -6.166 1.00 0.00 N ATOM 631 CA TYR A 108 -10.544 2.151 -5.515 1.00 0.00 C ATOM 632 C TYR A 108 -9.504 1.529 -6.455 1.00 0.00 C ATOM 633 O TYR A 108 -9.776 0.724 -7.346 1.00 0.00 O ATOM 634 CB TYR A 108 -11.539 1.092 -5.055 1.00 0.00 C ATOM 635 CG TYR A 108 -12.648 1.616 -4.136 1.00 0.00 C ATOM 636 CD1 TYR A 108 -12.414 2.715 -3.279 1.00 0.00 C ATOM 637 CD2 TYR A 108 -13.894 0.967 -4.179 1.00 0.00 C ATOM 638 CE1 TYR A 108 -13.459 3.184 -2.466 1.00 0.00 C ATOM 639 CE2 TYR A 108 -14.938 1.425 -3.352 1.00 0.00 C ATOM 640 CZ TYR A 108 -14.698 2.513 -2.489 1.00 0.00 C ATOM 641 OH TYR A 108 -15.594 2.786 -1.507 1.00 0.00 O ATOM 0 H TYR A 108 -12.113 3.006 -6.581 1.00 0.00 H new ATOM 0 HA TYR A 108 -10.034 2.539 -4.633 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -11.997 0.637 -5.933 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -10.996 0.303 -4.534 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -11.444 3.188 -3.250 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -14.049 0.126 -4.839 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -13.315 4.047 -1.832 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -15.907 0.950 -3.379 1.00 0.00 H new ATOM 0 HH TYR A 108 -16.405 2.253 -1.647 1.00 0.00 H new ATOM 642 N ASN A 109 -8.322 2.090 -6.246 1.00 0.00 N ATOM 643 CA ASN A 109 -7.053 1.717 -6.872 1.00 0.00 C ATOM 644 C ASN A 109 -6.361 0.711 -5.961 1.00 0.00 C ATOM 645 O ASN A 109 -5.797 1.053 -4.920 1.00 0.00 O ATOM 646 CB ASN A 109 -6.192 2.972 -6.965 1.00 0.00 C ATOM 647 CG ASN A 109 -6.561 3.865 -8.150 1.00 0.00 C ATOM 648 OD1 ASN A 109 -6.050 3.717 -9.256 1.00 0.00 O ATOM 649 ND2 ASN A 109 -7.427 4.824 -7.926 1.00 0.00 N ATOM 0 H ASN A 109 -8.212 2.867 -5.594 1.00 0.00 H new ATOM 0 HA ASN A 109 -7.209 1.288 -7.862 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -6.292 3.543 -6.042 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -5.145 2.682 -7.049 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -7.686 5.463 -8.678 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -7.841 4.931 -7.000 1.00 0.00 H new ATOM 650 N THR A 110 -6.631 -0.542 -6.257 1.00 0.00 N ATOM 651 CA THR A 110 -5.967 -1.646 -5.546 1.00 0.00 C ATOM 652 C THR A 110 -4.627 -1.943 -6.232 1.00 0.00 C ATOM 653 O THR A 110 -4.404 -1.558 -7.386 1.00 0.00 O ATOM 654 CB THR A 110 -6.879 -2.879 -5.393 1.00 0.00 C ATOM 655 OG1 THR A 110 -7.081 -3.558 -6.622 1.00 0.00 O ATOM 656 CG2 THR A 110 -8.227 -2.529 -4.769 1.00 0.00 C ATOM 0 H THR A 110 -7.295 -0.834 -6.974 1.00 0.00 H new ATOM 0 HA THR A 110 -5.757 -1.345 -4.519 1.00 0.00 H new ATOM 0 HB THR A 110 -6.351 -3.549 -4.715 1.00 0.00 H new ATOM 0 HG1 THR A 110 -6.873 -4.509 -6.508 1.00 0.00 H new ATOM 0 HG21 THR A 110 -8.833 -3.431 -4.682 1.00 0.00 H new ATOM 0 HG22 THR A 110 -8.070 -2.101 -3.779 1.00 0.00 H new ATOM 0 HG23 THR A 110 -8.743 -1.805 -5.399 1.00 0.00 H new ATOM 657 N TYR A 111 -3.708 -2.570 -5.507 1.00 0.00 N ATOM 658 CA TYR A 111 -2.279 -2.547 -5.889 1.00 0.00 C ATOM 659 C TYR A 111 -1.554 -3.893 -5.807 1.00 0.00 C ATOM 660 O TYR A 111 -0.987 -4.237 -4.768 1.00 0.00 O ATOM 661 CB TYR A 111 -1.539 -1.497 -5.057 1.00 0.00 C ATOM 662 CG TYR A 111 -1.950 -0.047 -5.319 1.00 0.00 C ATOM 663 CD1 TYR A 111 -2.015 0.462 -6.627 1.00 0.00 C ATOM 664 CD2 TYR A 111 -2.215 0.764 -4.184 1.00 0.00 C ATOM 665 CE1 TYR A 111 -2.361 1.816 -6.817 1.00 0.00 C ATOM 666 CE2 TYR A 111 -2.548 2.116 -4.377 1.00 0.00 C ATOM 667 CZ TYR A 111 -2.628 2.628 -5.696 1.00 0.00 C ATOM 668 OH TYR A 111 -3.033 3.913 -5.879 1.00 0.00 O ATOM 0 H TYR A 111 -3.911 -3.098 -4.659 1.00 0.00 H new ATOM 0 HA TYR A 111 -2.268 -2.289 -6.948 1.00 0.00 H new ATOM 0 HB2 TYR A 111 -1.697 -1.717 -4.001 1.00 0.00 H new ATOM 0 HB3 TYR A 111 -0.470 -1.594 -5.247 1.00 0.00 H new ATOM 0 HD1 TYR A 111 -1.803 -0.174 -7.474 1.00 0.00 H new ATOM 0 HD2 TYR A 111 -2.162 0.349 -3.188 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -2.421 2.228 -7.814 1.00 0.00 H new ATOM 0 HE2 TYR A 111 -2.741 2.757 -3.530 1.00 0.00 H new ATOM 0 HH TYR A 111 -3.314 4.038 -6.810 1.00 0.00 H new ATOM 669 N ILE A 112 -1.505 -4.586 -6.937 1.00 0.00 N ATOM 670 CA ILE A 112 -0.745 -5.838 -7.065 1.00 0.00 C ATOM 671 C ILE A 112 0.767 -5.524 -7.058 1.00 0.00 C ATOM 672 O ILE A 112 1.268 -4.891 -7.985 1.00 0.00 O ATOM 673 CB ILE A 112 -1.103 -6.616 -8.350 1.00 0.00 C ATOM 674 CG1 ILE A 112 -2.560 -7.085 -8.358 1.00 0.00 C ATOM 675 CG2 ILE A 112 -0.160 -7.806 -8.645 1.00 0.00 C ATOM 676 CD1 ILE A 112 -2.948 -8.151 -7.335 1.00 0.00 C ATOM 0 H ILE A 112 -1.986 -4.304 -7.791 1.00 0.00 H new ATOM 0 HA ILE A 112 -1.009 -6.469 -6.217 1.00 0.00 H new ATOM 0 HB ILE A 112 -0.964 -5.893 -9.154 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -3.197 -6.215 -8.200 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -2.787 -7.470 -9.352 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -0.476 -8.302 -9.563 1.00 0.00 H new ATOM 0 HG22 ILE A 112 0.860 -7.441 -8.763 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -0.199 -8.515 -7.818 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -4.005 -8.394 -7.446 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -2.350 -9.047 -7.499 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -2.767 -7.773 -6.329 1.00 0.00 H new ATOM 677 N SER A 113 1.464 -6.153 -6.129 1.00 0.00 N ATOM 678 CA SER A 113 2.944 -6.057 -6.072 1.00 0.00 C ATOM 679 C SER A 113 3.515 -6.761 -7.307 1.00 0.00 C ATOM 680 O SER A 113 3.180 -7.918 -7.552 1.00 0.00 O ATOM 681 CB SER A 113 3.488 -6.671 -4.787 1.00 0.00 C ATOM 682 OG SER A 113 4.907 -6.490 -4.724 1.00 0.00 O ATOM 0 H SER A 113 1.050 -6.736 -5.401 1.00 0.00 H new ATOM 0 HA SER A 113 3.246 -5.010 -6.070 1.00 0.00 H new ATOM 0 HB2 SER A 113 3.014 -6.206 -3.922 1.00 0.00 H new ATOM 0 HB3 SER A 113 3.246 -7.733 -4.750 1.00 0.00 H new ATOM 0 HG SER A 113 5.325 -7.303 -4.371 1.00 0.00 H new ATOM 683 N LYS A 114 4.330 -6.043 -8.070 1.00 0.00 N ATOM 684 CA LYS A 114 4.763 -6.483 -9.416 1.00 0.00 C ATOM 685 C LYS A 114 5.298 -7.921 -9.462 1.00 0.00 C ATOM 686 O LYS A 114 4.749 -8.756 -10.184 1.00 0.00 O ATOM 687 CB LYS A 114 5.809 -5.527 -9.996 1.00 0.00 C ATOM 688 CG LYS A 114 5.378 -4.949 -11.346 1.00 0.00 C ATOM 689 CD LYS A 114 5.299 -6.012 -12.444 1.00 0.00 C ATOM 690 CE LYS A 114 4.559 -5.426 -13.639 1.00 0.00 C ATOM 691 NZ LYS A 114 4.568 -6.355 -14.784 1.00 0.00 N ATOM 0 H LYS A 114 4.715 -5.142 -7.787 1.00 0.00 H new ATOM 0 HA LYS A 114 3.860 -6.464 -10.027 1.00 0.00 H new ATOM 0 HB2 LYS A 114 5.984 -4.712 -9.293 1.00 0.00 H new ATOM 0 HB3 LYS A 114 6.755 -6.055 -10.114 1.00 0.00 H new ATOM 0 HG2 LYS A 114 4.404 -4.471 -11.238 1.00 0.00 H new ATOM 0 HG3 LYS A 114 6.083 -4.173 -11.646 1.00 0.00 H new ATOM 0 HD2 LYS A 114 6.300 -6.327 -12.737 1.00 0.00 H new ATOM 0 HD3 LYS A 114 4.781 -6.898 -12.076 1.00 0.00 H new ATOM 0 HE2 LYS A 114 3.530 -5.202 -13.358 1.00 0.00 H new ATOM 0 HE3 LYS A 114 5.022 -4.483 -13.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 4.056 -5.927 -15.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 5.550 -6.549 -15.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 4.104 -7.245 -14.512 1.00 0.00 H new ATOM 692 N LYS A 115 6.196 -8.245 -8.529 1.00 0.00 N ATOM 693 CA LYS A 115 6.746 -9.615 -8.453 1.00 0.00 C ATOM 694 C LYS A 115 5.759 -10.654 -7.893 1.00 0.00 C ATOM 695 O LYS A 115 5.796 -11.832 -8.246 1.00 0.00 O ATOM 696 CB LYS A 115 8.074 -9.625 -7.678 1.00 0.00 C ATOM 697 CG LYS A 115 7.917 -9.398 -6.171 1.00 0.00 C ATOM 698 CD LYS A 115 8.929 -10.230 -5.375 1.00 0.00 C ATOM 699 CE LYS A 115 8.569 -11.707 -5.368 1.00 0.00 C ATOM 700 NZ LYS A 115 9.627 -12.495 -6.000 1.00 0.00 N ATOM 0 H LYS A 115 6.556 -7.599 -7.827 1.00 0.00 H new ATOM 0 HA LYS A 115 6.935 -9.923 -9.481 1.00 0.00 H new ATOM 0 HB2 LYS A 115 8.571 -10.581 -7.841 1.00 0.00 H new ATOM 0 HB3 LYS A 115 8.727 -8.853 -8.085 1.00 0.00 H new ATOM 0 HG2 LYS A 115 8.053 -8.341 -5.944 1.00 0.00 H new ATOM 0 HG3 LYS A 115 6.905 -9.662 -5.865 1.00 0.00 H new ATOM 0 HD2 LYS A 115 9.923 -10.101 -5.804 1.00 0.00 H new ATOM 0 HD3 LYS A 115 8.974 -9.863 -4.350 1.00 0.00 H new ATOM 0 HE2 LYS A 115 8.418 -12.046 -4.343 1.00 0.00 H new ATOM 0 HE3 LYS A 115 7.628 -11.861 -5.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 9.365 -13.501 -5.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 9.752 -12.183 -6.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 10.517 -12.362 -5.479 1.00 0.00 H new ATOM 701 N HIS A 116 4.865 -10.178 -7.027 1.00 0.00 N ATOM 702 CA HIS A 116 3.824 -11.011 -6.400 1.00 0.00 C ATOM 703 C HIS A 116 2.541 -11.063 -7.257 1.00 0.00 C ATOM 704 O HIS A 116 1.493 -11.506 -6.782 1.00 0.00 O ATOM 705 CB HIS A 116 3.558 -10.465 -4.994 1.00 0.00 C ATOM 706 CG HIS A 116 4.837 -10.331 -4.177 1.00 0.00 C ATOM 707 ND1 HIS A 116 5.298 -9.201 -3.645 1.00 0.00 N ATOM 708 CD2 HIS A 116 5.605 -11.326 -3.753 1.00 0.00 C ATOM 709 CE1 HIS A 116 6.329 -9.504 -2.857 1.00 0.00 C ATOM 710 NE2 HIS A 116 6.502 -10.812 -2.915 1.00 0.00 N ATOM 0 H HIS A 116 4.837 -9.201 -6.736 1.00 0.00 H new ATOM 0 HA HIS A 116 4.170 -12.042 -6.327 1.00 0.00 H new ATOM 0 HB2 HIS A 116 3.074 -9.491 -5.070 1.00 0.00 H new ATOM 0 HB3 HIS A 116 2.865 -11.126 -4.474 1.00 0.00 H new ATOM 0 HD2 HIS A 116 5.518 -12.365 -4.036 1.00 0.00 H new ATOM 0 HE1 HIS A 116 6.916 -8.807 -2.277 1.00 0.00 H new ATOM 0 HE2 HIS A 116 7.207 -11.341 -2.402 1.00 0.00 H new ATOM 711 N ALA A 117 2.714 -10.820 -8.557 1.00 0.00 N ATOM 712 CA ALA A 117 1.675 -11.059 -9.585 1.00 0.00 C ATOM 713 C ALA A 117 1.240 -12.530 -9.593 1.00 0.00 C ATOM 714 O ALA A 117 0.047 -12.821 -9.533 1.00 0.00 O ATOM 715 CB ALA A 117 2.221 -10.664 -10.958 1.00 0.00 C ATOM 0 H ALA A 117 3.584 -10.448 -8.939 1.00 0.00 H new ATOM 0 HA ALA A 117 0.801 -10.451 -9.350 1.00 0.00 H new ATOM 0 HB1 ALA A 117 1.458 -10.839 -11.717 1.00 0.00 H new ATOM 0 HB2 ALA A 117 2.492 -9.608 -10.952 1.00 0.00 H new ATOM 0 HB3 ALA A 117 3.103 -11.263 -11.185 1.00 0.00 H new ATOM 716 N GLU A 118 2.214 -13.376 -9.272 1.00 0.00 N ATOM 717 CA GLU A 118 2.011 -14.836 -9.148 1.00 0.00 C ATOM 718 C GLU A 118 1.354 -15.320 -7.837 1.00 0.00 C ATOM 719 O GLU A 118 1.003 -16.492 -7.700 1.00 0.00 O ATOM 720 CB GLU A 118 3.283 -15.638 -9.473 1.00 0.00 C ATOM 721 CG GLU A 118 4.596 -15.022 -8.976 1.00 0.00 C ATOM 722 CD GLU A 118 5.390 -14.363 -10.111 1.00 0.00 C ATOM 723 OE1 GLU A 118 4.956 -13.267 -10.553 1.00 0.00 O ATOM 724 OE2 GLU A 118 6.401 -14.975 -10.521 1.00 0.00 O ATOM 0 H GLU A 118 3.172 -13.079 -9.088 1.00 0.00 H new ATOM 0 HA GLU A 118 1.265 -15.047 -9.915 1.00 0.00 H new ATOM 0 HB2 GLU A 118 3.183 -16.634 -9.042 1.00 0.00 H new ATOM 0 HB3 GLU A 118 3.347 -15.763 -10.554 1.00 0.00 H new ATOM 0 HG2 GLU A 118 4.380 -14.280 -8.207 1.00 0.00 H new ATOM 0 HG3 GLU A 118 5.205 -15.796 -8.510 1.00 0.00 H new ATOM 725 N LYS A 119 1.159 -14.382 -6.919 1.00 0.00 N ATOM 726 CA LYS A 119 0.501 -14.600 -5.613 1.00 0.00 C ATOM 727 C LYS A 119 -0.762 -13.769 -5.397 1.00 0.00 C ATOM 728 O LYS A 119 -1.500 -14.022 -4.445 1.00 0.00 O ATOM 729 CB LYS A 119 1.529 -14.287 -4.531 1.00 0.00 C ATOM 730 CG LYS A 119 2.423 -15.505 -4.280 1.00 0.00 C ATOM 731 CD LYS A 119 3.884 -15.097 -4.053 1.00 0.00 C ATOM 732 CE LYS A 119 4.552 -14.697 -5.368 1.00 0.00 C ATOM 733 NZ LYS A 119 6.002 -14.625 -5.157 1.00 0.00 N ATOM 0 H LYS A 119 1.459 -13.417 -7.055 1.00 0.00 H new ATOM 0 HA LYS A 119 0.164 -15.636 -5.576 1.00 0.00 H new ATOM 0 HB2 LYS A 119 2.139 -13.436 -4.834 1.00 0.00 H new ATOM 0 HB3 LYS A 119 1.022 -14.003 -3.609 1.00 0.00 H new ATOM 0 HG2 LYS A 119 2.058 -16.052 -3.410 1.00 0.00 H new ATOM 0 HG3 LYS A 119 2.362 -16.183 -5.131 1.00 0.00 H new ATOM 0 HD2 LYS A 119 3.928 -14.264 -3.351 1.00 0.00 H new ATOM 0 HD3 LYS A 119 4.430 -15.925 -3.601 1.00 0.00 H new ATOM 0 HE2 LYS A 119 4.319 -15.424 -6.146 1.00 0.00 H new ATOM 0 HE3 LYS A 119 4.171 -13.734 -5.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 6.427 -14.004 -5.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 6.196 -14.242 -4.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 6.412 -15.577 -5.237 1.00 0.00 H new ATOM 734 N ASN A 120 -0.987 -12.793 -6.288 1.00 0.00 N ATOM 735 CA ASN A 120 -2.109 -11.831 -6.264 1.00 0.00 C ATOM 736 C ASN A 120 -2.129 -10.939 -5.011 1.00 0.00 C ATOM 737 O ASN A 120 -3.175 -10.503 -4.536 1.00 0.00 O ATOM 738 CB ASN A 120 -3.462 -12.539 -6.420 1.00 0.00 C ATOM 739 CG ASN A 120 -3.546 -13.458 -7.641 1.00 0.00 C ATOM 740 OD1 ASN A 120 -3.787 -13.063 -8.772 1.00 0.00 O ATOM 741 ND2 ASN A 120 -3.386 -14.741 -7.395 1.00 0.00 N ATOM 0 H ASN A 120 -0.366 -12.642 -7.083 1.00 0.00 H new ATOM 0 HA ASN A 120 -1.943 -11.177 -7.120 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -3.659 -13.125 -5.523 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -4.248 -11.787 -6.489 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -3.463 -15.419 -8.153 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -3.185 -15.057 -6.446 1.00 0.00 H new ATOM 742 N TRP A 121 -0.930 -10.575 -4.553 1.00 0.00 N ATOM 743 CA TRP A 121 -0.784 -9.782 -3.318 1.00 0.00 C ATOM 744 C TRP A 121 -0.923 -8.278 -3.560 1.00 0.00 C ATOM 745 O TRP A 121 -0.217 -7.700 -4.389 1.00 0.00 O ATOM 746 CB TRP A 121 0.533 -10.015 -2.576 1.00 0.00 C ATOM 747 CG TRP A 121 0.733 -11.417 -2.003 1.00 0.00 C ATOM 748 CD1 TRP A 121 -0.198 -12.359 -1.895 1.00 0.00 C ATOM 749 CD2 TRP A 121 1.924 -11.942 -1.522 1.00 0.00 C ATOM 750 NE1 TRP A 121 0.366 -13.484 -1.433 1.00 0.00 N ATOM 751 CE2 TRP A 121 1.649 -13.261 -1.151 1.00 0.00 C ATOM 752 CE3 TRP A 121 3.228 -11.418 -1.371 1.00 0.00 C ATOM 753 CZ2 TRP A 121 2.650 -14.092 -0.619 1.00 0.00 C ATOM 754 CZ3 TRP A 121 4.239 -12.261 -0.891 1.00 0.00 C ATOM 755 CH2 TRP A 121 3.955 -13.579 -0.490 1.00 0.00 C ATOM 0 H TRP A 121 -0.049 -10.811 -5.010 1.00 0.00 H new ATOM 0 HA TRP A 121 -1.604 -10.140 -2.695 1.00 0.00 H new ATOM 0 HB2 TRP A 121 1.356 -9.801 -3.258 1.00 0.00 H new ATOM 0 HB3 TRP A 121 0.601 -9.296 -1.760 1.00 0.00 H new ATOM 0 HD1 TRP A 121 -1.243 -12.238 -2.140 1.00 0.00 H new ATOM 0 HE1 TRP A 121 -0.114 -14.376 -1.315 1.00 0.00 H new ATOM 0 HE3 TRP A 121 3.441 -10.389 -1.620 1.00 0.00 H new ATOM 0 HZ2 TRP A 121 2.423 -15.103 -0.315 1.00 0.00 H new ATOM 0 HZ3 TRP A 121 5.252 -11.893 -0.828 1.00 0.00 H new ATOM 0 HH2 TRP A 121 4.740 -14.199 -0.082 1.00 0.00 H new ATOM 756 N PHE A 122 -1.817 -7.710 -2.770 1.00 0.00 N ATOM 757 CA PHE A 122 -2.035 -6.260 -2.728 1.00 0.00 C ATOM 758 C PHE A 122 -1.573 -5.698 -1.376 1.00 0.00 C ATOM 759 O PHE A 122 -1.402 -6.447 -0.410 1.00 0.00 O ATOM 760 CB PHE A 122 -3.521 -5.914 -2.870 1.00 0.00 C ATOM 761 CG PHE A 122 -4.240 -6.531 -4.072 1.00 0.00 C ATOM 762 CD1 PHE A 122 -4.794 -7.822 -3.983 1.00 0.00 C ATOM 763 CD2 PHE A 122 -4.572 -5.686 -5.151 1.00 0.00 C ATOM 764 CE1 PHE A 122 -5.727 -8.257 -4.956 1.00 0.00 C ATOM 765 CE2 PHE A 122 -5.502 -6.112 -6.124 1.00 0.00 C ATOM 766 CZ PHE A 122 -6.081 -7.397 -6.015 1.00 0.00 C ATOM 0 H PHE A 122 -2.418 -8.236 -2.135 1.00 0.00 H new ATOM 0 HA PHE A 122 -1.469 -5.829 -3.554 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -4.036 -6.229 -1.962 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -3.617 -4.830 -2.931 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -4.508 -8.479 -3.175 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -4.114 -4.711 -5.233 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -6.165 -9.242 -4.887 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -5.769 -5.462 -6.944 1.00 0.00 H new ATOM 0 HZ PHE A 122 -6.802 -7.723 -6.750 1.00 0.00 H new ATOM 767 N VAL A 123 -1.300 -4.396 -1.330 1.00 0.00 N ATOM 768 CA VAL A 123 -1.239 -3.676 -0.032 1.00 0.00 C ATOM 769 C VAL A 123 -2.640 -3.550 0.566 1.00 0.00 C ATOM 770 O VAL A 123 -3.633 -3.777 -0.139 1.00 0.00 O ATOM 771 CB VAL A 123 -0.577 -2.286 -0.137 1.00 0.00 C ATOM 772 CG1 VAL A 123 0.938 -2.423 -0.166 1.00 0.00 C ATOM 773 CG2 VAL A 123 -1.140 -1.411 -1.268 1.00 0.00 C ATOM 0 H VAL A 123 -1.119 -3.816 -2.150 1.00 0.00 H new ATOM 0 HA VAL A 123 -0.607 -4.272 0.626 1.00 0.00 H new ATOM 0 HB VAL A 123 -0.840 -1.733 0.765 1.00 0.00 H new ATOM 0 HG11 VAL A 123 1.391 -1.435 -0.240 1.00 0.00 H new ATOM 0 HG12 VAL A 123 1.277 -2.910 0.748 1.00 0.00 H new ATOM 0 HG13 VAL A 123 1.233 -3.023 -1.027 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -0.624 -0.451 -1.277 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -0.990 -1.912 -2.224 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -2.206 -1.249 -1.106 1.00 0.00 H new ATOM 774 N GLY A 124 -2.714 -3.190 1.840 1.00 0.00 N ATOM 775 CA GLY A 124 -4.010 -3.015 2.514 1.00 0.00 C ATOM 776 C GLY A 124 -3.897 -2.664 3.978 1.00 0.00 C ATOM 777 O GLY A 124 -3.099 -3.203 4.742 1.00 0.00 O ATOM 0 H GLY A 124 -1.902 -3.012 2.431 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -4.570 -2.231 2.005 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -4.587 -3.934 2.415 1.00 0.00 H new ATOM 778 N LEU A 125 -4.775 -1.723 4.282 1.00 0.00 N ATOM 779 CA LEU A 125 -4.886 -1.149 5.620 1.00 0.00 C ATOM 780 C LEU A 125 -5.718 -2.047 6.509 1.00 0.00 C ATOM 781 O LEU A 125 -6.822 -2.473 6.162 1.00 0.00 O ATOM 782 CB LEU A 125 -5.452 0.265 5.526 1.00 0.00 C ATOM 783 CG LEU A 125 -4.329 1.308 5.388 1.00 0.00 C ATOM 784 CD1 LEU A 125 -3.384 1.023 4.246 1.00 0.00 C ATOM 785 CD2 LEU A 125 -4.896 2.700 5.151 1.00 0.00 C ATOM 0 H LEU A 125 -5.434 -1.332 3.609 1.00 0.00 H new ATOM 0 HA LEU A 125 -3.899 -1.079 6.076 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -6.123 0.334 4.670 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -6.045 0.481 6.414 1.00 0.00 H new ATOM 0 HG LEU A 125 -3.784 1.253 6.330 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -2.617 1.797 4.206 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -2.912 0.052 4.398 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -3.939 1.014 3.308 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -4.078 3.415 5.058 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -5.486 2.701 4.234 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -5.531 2.982 5.991 1.00 0.00 H new ATOM 786 N LYS A 126 -5.029 -2.500 7.539 1.00 0.00 N ATOM 787 CA LYS A 126 -5.665 -3.317 8.562 1.00 0.00 C ATOM 788 C LYS A 126 -6.789 -2.525 9.270 1.00 0.00 C ATOM 789 O LYS A 126 -6.599 -1.377 9.663 1.00 0.00 O ATOM 790 CB LYS A 126 -4.627 -3.785 9.588 1.00 0.00 C ATOM 791 CG LYS A 126 -5.179 -4.805 10.591 1.00 0.00 C ATOM 792 CD LYS A 126 -4.376 -4.821 11.888 1.00 0.00 C ATOM 793 CE LYS A 126 -4.447 -3.481 12.633 1.00 0.00 C ATOM 794 NZ LYS A 126 -3.655 -3.556 13.858 1.00 0.00 N ATOM 0 H LYS A 126 -4.037 -2.320 7.692 1.00 0.00 H new ATOM 0 HA LYS A 126 -6.105 -4.190 8.080 1.00 0.00 H new ATOM 0 HB2 LYS A 126 -3.780 -4.226 9.062 1.00 0.00 H new ATOM 0 HB3 LYS A 126 -4.249 -2.919 10.132 1.00 0.00 H new ATOM 0 HG2 LYS A 126 -6.220 -4.570 10.812 1.00 0.00 H new ATOM 0 HG3 LYS A 126 -5.165 -5.799 10.143 1.00 0.00 H new ATOM 0 HD2 LYS A 126 -4.751 -5.614 12.535 1.00 0.00 H new ATOM 0 HD3 LYS A 126 -3.335 -5.056 11.666 1.00 0.00 H new ATOM 0 HE2 LYS A 126 -4.074 -2.679 11.996 1.00 0.00 H new ATOM 0 HE3 LYS A 126 -5.483 -3.242 12.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 -3.421 -2.595 14.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 -4.202 -4.045 14.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 -2.777 -4.082 13.672 1.00 0.00 H new ATOM 795 N LYS A 127 -7.882 -3.237 9.500 1.00 0.00 N ATOM 796 CA LYS A 127 -9.206 -2.750 9.960 1.00 0.00 C ATOM 797 C LYS A 127 -9.273 -2.134 11.370 1.00 0.00 C ATOM 798 O LYS A 127 -10.353 -1.956 11.936 1.00 0.00 O ATOM 799 CB LYS A 127 -10.164 -3.963 9.921 1.00 0.00 C ATOM 800 CG LYS A 127 -10.177 -4.765 8.619 1.00 0.00 C ATOM 801 CD LYS A 127 -10.670 -3.927 7.432 1.00 0.00 C ATOM 802 CE LYS A 127 -10.530 -4.681 6.106 1.00 0.00 C ATOM 803 NZ LYS A 127 -11.449 -5.821 6.069 1.00 0.00 N ATOM 0 H LYS A 127 -7.883 -4.248 9.365 1.00 0.00 H new ATOM 0 HA LYS A 127 -9.470 -1.930 9.292 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -9.900 -4.636 10.737 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -11.176 -3.608 10.116 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -9.173 -5.133 8.410 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -10.819 -5.638 8.738 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -11.714 -3.656 7.587 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -10.103 -2.997 7.383 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -10.740 -4.009 5.274 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -9.504 -5.028 5.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -11.417 -6.262 5.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -11.167 -6.518 6.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -12.416 -5.494 6.265 1.00 0.00 H new ATOM 804 N ASN A 128 -8.123 -1.799 11.922 1.00 0.00 N ATOM 805 CA ASN A 128 -7.979 -1.302 13.299 1.00 0.00 C ATOM 806 C ASN A 128 -7.040 -0.084 13.313 1.00 0.00 C ATOM 807 O ASN A 128 -7.417 0.994 13.780 1.00 0.00 O ATOM 808 CB ASN A 128 -7.363 -2.405 14.148 1.00 0.00 C ATOM 809 CG ASN A 128 -8.218 -3.659 14.441 1.00 0.00 C ATOM 810 OD1 ASN A 128 -7.703 -4.733 14.655 1.00 0.00 O ATOM 811 ND2 ASN A 128 -9.534 -3.555 14.478 1.00 0.00 N ATOM 0 H ASN A 128 -7.235 -1.862 11.424 1.00 0.00 H new ATOM 0 HA ASN A 128 -8.954 -1.014 13.692 1.00 0.00 H new ATOM 0 HB2 ASN A 128 -6.447 -2.733 13.656 1.00 0.00 H new ATOM 0 HB3 ASN A 128 -7.073 -1.968 15.104 1.00 0.00 H new ATOM 0 HD21 ASN A 128 -10.105 -4.375 14.685 1.00 0.00 H new ATOM 0 HD22 ASN A 128 -9.980 -2.655 14.299 1.00 0.00 H new ATOM 812 N GLY A 129 -5.808 -0.295 12.857 1.00 0.00 N ATOM 813 CA GLY A 129 -4.811 0.786 12.748 1.00 0.00 C ATOM 814 C GLY A 129 -3.673 0.604 11.735 1.00 0.00 C ATOM 815 O GLY A 129 -3.285 1.580 11.104 1.00 0.00 O ATOM 0 H GLY A 129 -5.467 -1.207 12.554 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -5.339 1.706 12.498 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -4.365 0.932 13.732 1.00 0.00 H new ATOM 816 N SER A 130 -3.081 -0.581 11.652 1.00 0.00 N ATOM 817 CA SER A 130 -1.896 -0.763 10.780 1.00 0.00 C ATOM 818 C SER A 130 -2.200 -1.195 9.333 1.00 0.00 C ATOM 819 O SER A 130 -3.138 -0.666 8.744 1.00 0.00 O ATOM 820 CB SER A 130 -0.873 -1.679 11.500 1.00 0.00 C ATOM 821 OG SER A 130 -1.416 -2.993 11.637 1.00 0.00 O ATOM 0 H SER A 130 -3.380 -1.416 12.156 1.00 0.00 H new ATOM 0 HA SER A 130 -1.453 0.222 10.631 1.00 0.00 H new ATOM 0 HB2 SER A 130 0.057 -1.717 10.933 1.00 0.00 H new ATOM 0 HB3 SER A 130 -0.632 -1.270 12.481 1.00 0.00 H new ATOM 0 HG SER A 130 -0.766 -3.570 12.091 1.00 0.00 H new ATOM 822 N CYS A 131 -1.232 -1.841 8.678 1.00 0.00 N ATOM 823 CA CYS A 131 -1.406 -2.444 7.346 1.00 0.00 C ATOM 824 C CYS A 131 -0.957 -3.904 7.415 1.00 0.00 C ATOM 825 O CYS A 131 0.098 -4.193 7.998 1.00 0.00 O ATOM 826 CB CYS A 131 -0.522 -1.804 6.288 1.00 0.00 C ATOM 827 SG CYS A 131 -0.806 -0.034 5.978 1.00 0.00 S ATOM 0 H CYS A 131 -0.294 -1.964 9.058 1.00 0.00 H new ATOM 0 HA CYS A 131 -2.454 -2.313 7.078 1.00 0.00 H new ATOM 0 HB2 CYS A 131 0.519 -1.939 6.582 1.00 0.00 H new ATOM 0 HB3 CYS A 131 -0.661 -2.344 5.351 1.00 0.00 H new ATOM 0 HG CYS A 131 -0.517 0.242 4.741 1.00 0.00 H new ATOM 828 N LYS A 132 -1.714 -4.775 6.763 1.00 0.00 N ATOM 829 CA LYS A 132 -1.438 -6.207 6.906 1.00 0.00 C ATOM 830 C LYS A 132 -1.242 -7.177 5.749 1.00 0.00 C ATOM 831 O LYS A 132 -2.145 -7.485 4.983 1.00 0.00 O ATOM 832 CB LYS A 132 -2.298 -6.893 7.987 1.00 0.00 C ATOM 833 CG LYS A 132 -1.604 -6.588 9.305 1.00 0.00 C ATOM 834 CD LYS A 132 -2.042 -7.500 10.442 1.00 0.00 C ATOM 835 CE LYS A 132 -1.187 -7.097 11.636 1.00 0.00 C ATOM 836 NZ LYS A 132 -1.712 -7.795 12.803 1.00 0.00 N ATOM 0 H LYS A 132 -2.495 -4.535 6.152 1.00 0.00 H new ATOM 0 HA LYS A 132 -0.395 -6.030 7.171 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -3.318 -6.508 7.981 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -2.362 -7.968 7.816 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -0.526 -6.680 9.170 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -1.804 -5.553 9.582 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -3.103 -7.376 10.659 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -1.890 -8.548 10.186 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -0.143 -7.362 11.468 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -1.222 -6.018 11.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -1.150 -7.542 13.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -2.703 -7.520 12.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -1.658 -8.822 12.647 1.00 0.00 H new ATOM 837 N ARG A 133 -0.052 -7.765 5.847 1.00 0.00 N ATOM 838 CA ARG A 133 0.388 -8.940 5.073 1.00 0.00 C ATOM 839 C ARG A 133 0.289 -8.834 3.535 1.00 0.00 C ATOM 840 O ARG A 133 0.437 -7.743 2.978 1.00 0.00 O ATOM 841 CB ARG A 133 -0.329 -10.183 5.630 1.00 0.00 C ATOM 842 CG ARG A 133 0.448 -10.951 6.720 1.00 0.00 C ATOM 843 CD ARG A 133 0.792 -10.160 7.993 1.00 0.00 C ATOM 844 NE ARG A 133 2.121 -9.510 7.885 1.00 0.00 N ATOM 845 CZ ARG A 133 2.399 -8.218 8.095 1.00 0.00 C ATOM 846 NH1 ARG A 133 1.486 -7.350 8.496 1.00 0.00 N ATOM 847 NH2 ARG A 133 3.638 -7.763 8.053 1.00 0.00 N ATOM 0 H ARG A 133 0.665 -7.429 6.490 1.00 0.00 H new ATOM 0 HA ARG A 133 1.466 -9.016 5.214 1.00 0.00 H new ATOM 0 HB2 ARG A 133 -1.291 -9.876 6.039 1.00 0.00 H new ATOM 0 HB3 ARG A 133 -0.537 -10.864 4.805 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -0.137 -11.824 7.007 1.00 0.00 H new ATOM 0 HG3 ARG A 133 1.377 -11.319 6.284 1.00 0.00 H new ATOM 0 HD2 ARG A 133 0.028 -9.403 8.170 1.00 0.00 H new ATOM 0 HD3 ARG A 133 0.782 -10.830 8.853 1.00 0.00 H new ATOM 0 HE ARG A 133 2.904 -10.110 7.624 1.00 0.00 H new ATOM 0 HH11 ARG A 133 0.527 -7.657 8.657 1.00 0.00 H new ATOM 0 HH12 ARG A 133 1.741 -6.374 8.644 1.00 0.00 H new ATOM 0 HH21 ARG A 133 4.409 -8.401 7.857 1.00 0.00 H new ATOM 0 HH22 ARG A 133 3.824 -6.773 8.217 1.00 0.00 H new ATOM 848 N GLY A 134 0.623 -9.995 2.966 1.00 0.00 N ATOM 849 CA GLY A 134 0.533 -10.341 1.541 1.00 0.00 C ATOM 850 C GLY A 134 -0.554 -11.415 1.306 1.00 0.00 C ATOM 851 O GLY A 134 -1.591 -11.089 0.742 1.00 0.00 O ATOM 0 H GLY A 134 0.987 -10.769 3.522 1.00 0.00 H new ATOM 0 HA2 GLY A 134 0.301 -9.449 0.959 1.00 0.00 H new ATOM 0 HA3 GLY A 134 1.497 -10.709 1.190 1.00 0.00 H new ATOM 852 N PRO A 135 -0.369 -12.671 1.786 1.00 0.00 N ATOM 853 CA PRO A 135 -1.289 -13.782 1.500 1.00 0.00 C ATOM 854 C PRO A 135 -2.460 -13.817 2.512 1.00 0.00 C ATOM 855 O PRO A 135 -2.683 -14.767 3.252 1.00 0.00 O ATOM 856 CB PRO A 135 -0.369 -14.996 1.524 1.00 0.00 C ATOM 857 CG PRO A 135 0.604 -14.681 2.666 1.00 0.00 C ATOM 858 CD PRO A 135 0.768 -13.162 2.579 1.00 0.00 C ATOM 0 HA PRO A 135 -1.811 -13.711 0.546 1.00 0.00 H new ATOM 0 HB2 PRO A 135 -0.923 -15.916 1.710 1.00 0.00 H new ATOM 0 HB3 PRO A 135 0.152 -15.124 0.575 1.00 0.00 H new ATOM 0 HG2 PRO A 135 0.203 -14.988 3.632 1.00 0.00 H new ATOM 0 HG3 PRO A 135 1.556 -15.196 2.537 1.00 0.00 H new ATOM 0 HD2 PRO A 135 0.772 -12.713 3.572 1.00 0.00 H new ATOM 0 HD3 PRO A 135 1.714 -12.899 2.107 1.00 0.00 H new ATOM 859 N ARG A 136 -3.251 -12.764 2.346 1.00 0.00 N ATOM 860 CA ARG A 136 -4.404 -12.374 3.182 1.00 0.00 C ATOM 861 C ARG A 136 -5.144 -11.213 2.472 1.00 0.00 C ATOM 862 O ARG A 136 -6.368 -11.180 2.411 1.00 0.00 O ATOM 863 CB ARG A 136 -3.890 -11.886 4.545 1.00 0.00 C ATOM 864 CG ARG A 136 -5.028 -11.478 5.487 1.00 0.00 C ATOM 865 CD ARG A 136 -4.524 -10.477 6.531 1.00 0.00 C ATOM 866 NE ARG A 136 -5.678 -10.016 7.320 1.00 0.00 N ATOM 867 CZ ARG A 136 -6.450 -8.958 7.042 1.00 0.00 C ATOM 868 NH1 ARG A 136 -6.068 -8.002 6.203 1.00 0.00 N ATOM 869 NH2 ARG A 136 -7.490 -8.706 7.819 1.00 0.00 N ATOM 0 H ARG A 136 -3.103 -12.111 1.577 1.00 0.00 H new ATOM 0 HA ARG A 136 -5.076 -13.220 3.327 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -3.301 -12.675 5.012 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -3.223 -11.037 4.396 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -5.843 -11.036 4.913 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -5.431 -12.360 5.985 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -3.783 -10.944 7.179 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -4.035 -9.633 6.044 1.00 0.00 H new ATOM 0 HE ARG A 136 -5.911 -10.552 8.156 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -5.158 -8.059 5.745 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -6.684 -7.211 6.016 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -7.692 -9.313 8.614 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -8.090 -7.905 7.624 1.00 0.00 H new ATOM 870 N THR A 137 -4.343 -10.285 1.947 1.00 0.00 N ATOM 871 CA THR A 137 -4.777 -9.088 1.221 1.00 0.00 C ATOM 872 C THR A 137 -4.981 -9.328 -0.274 1.00 0.00 C ATOM 873 O THR A 137 -4.084 -9.191 -1.099 1.00 0.00 O ATOM 874 CB THR A 137 -3.743 -7.973 1.438 1.00 0.00 C ATOM 875 OG1 THR A 137 -2.439 -8.544 1.539 1.00 0.00 O ATOM 876 CG2 THR A 137 -4.168 -7.075 2.596 1.00 0.00 C ATOM 0 H THR A 137 -3.328 -10.349 2.019 1.00 0.00 H new ATOM 0 HA THR A 137 -5.750 -8.799 1.619 1.00 0.00 H new ATOM 0 HB THR A 137 -3.696 -7.303 0.580 1.00 0.00 H new ATOM 0 HG1 THR A 137 -2.305 -9.185 0.810 1.00 0.00 H new ATOM 0 HG21 THR A 137 -3.426 -6.289 2.738 1.00 0.00 H new ATOM 0 HG22 THR A 137 -5.135 -6.625 2.371 1.00 0.00 H new ATOM 0 HG23 THR A 137 -4.247 -7.669 3.507 1.00 0.00 H new ATOM 877 N HIS A 138 -6.219 -9.724 -0.546 1.00 0.00 N ATOM 878 CA HIS A 138 -6.748 -9.953 -1.899 1.00 0.00 C ATOM 879 C HIS A 138 -8.111 -9.287 -2.115 1.00 0.00 C ATOM 880 O HIS A 138 -8.759 -8.823 -1.177 1.00 0.00 O ATOM 881 CB HIS A 138 -6.819 -11.454 -2.215 1.00 0.00 C ATOM 882 CG HIS A 138 -7.668 -12.225 -1.211 1.00 0.00 C ATOM 883 ND1 HIS A 138 -8.976 -12.091 -1.002 1.00 0.00 N ATOM 884 CD2 HIS A 138 -7.181 -13.023 -0.265 1.00 0.00 C ATOM 885 CE1 HIS A 138 -9.290 -12.774 0.085 1.00 0.00 C ATOM 886 NE2 HIS A 138 -8.181 -13.352 0.543 1.00 0.00 N ATOM 0 H HIS A 138 -6.908 -9.902 0.185 1.00 0.00 H new ATOM 0 HA HIS A 138 -6.050 -9.484 -2.593 1.00 0.00 H new ATOM 0 HB2 HIS A 138 -7.231 -11.592 -3.215 1.00 0.00 H new ATOM 0 HB3 HIS A 138 -5.810 -11.867 -2.226 1.00 0.00 H new ATOM 0 HD1 HIS A 138 -9.623 -11.555 -1.580 1.00 0.00 H new ATOM 0 HD2 HIS A 138 -6.155 -13.346 -0.171 1.00 0.00 H new ATOM 0 HE1 HIS A 138 -10.273 -12.850 0.525 1.00 0.00 H new ATOM 887 N TYR A 139 -8.441 -9.109 -3.395 1.00 0.00 N ATOM 888 CA TYR A 139 -9.779 -8.695 -3.861 1.00 0.00 C ATOM 889 C TYR A 139 -10.916 -9.395 -3.114 1.00 0.00 C ATOM 890 O TYR A 139 -10.996 -10.626 -3.075 1.00 0.00 O ATOM 891 CB TYR A 139 -9.926 -8.896 -5.372 1.00 0.00 C ATOM 892 CG TYR A 139 -9.852 -7.596 -6.182 1.00 0.00 C ATOM 893 CD1 TYR A 139 -10.341 -6.371 -5.656 1.00 0.00 C ATOM 894 CD2 TYR A 139 -9.257 -7.651 -7.464 1.00 0.00 C ATOM 895 CE1 TYR A 139 -10.186 -5.190 -6.405 1.00 0.00 C ATOM 896 CE2 TYR A 139 -9.116 -6.468 -8.211 1.00 0.00 C ATOM 897 CZ TYR A 139 -9.565 -5.241 -7.670 1.00 0.00 C ATOM 898 OH TYR A 139 -9.285 -4.097 -8.327 1.00 0.00 O ATOM 0 H TYR A 139 -7.778 -9.250 -4.157 1.00 0.00 H new ATOM 0 HA TYR A 139 -9.861 -7.631 -3.637 1.00 0.00 H new ATOM 0 HB2 TYR A 139 -9.144 -9.572 -5.716 1.00 0.00 H new ATOM 0 HB3 TYR A 139 -10.880 -9.384 -5.573 1.00 0.00 H new ATOM 0 HD1 TYR A 139 -10.827 -6.346 -4.692 1.00 0.00 H new ATOM 0 HD2 TYR A 139 -8.914 -8.593 -7.866 1.00 0.00 H new ATOM 0 HE1 TYR A 139 -10.541 -4.248 -6.013 1.00 0.00 H new ATOM 0 HE2 TYR A 139 -8.667 -6.496 -9.193 1.00 0.00 H new ATOM 0 HH TYR A 139 -8.506 -3.667 -7.917 1.00 0.00 H new ATOM 899 N GLY A 140 -11.566 -8.562 -2.307 1.00 0.00 N ATOM 900 CA GLY A 140 -12.576 -8.981 -1.320 1.00 0.00 C ATOM 901 C GLY A 140 -12.378 -8.158 -0.042 1.00 0.00 C ATOM 902 O GLY A 140 -13.291 -7.454 0.397 1.00 0.00 O ATOM 0 H GLY A 140 -11.408 -7.554 -2.315 1.00 0.00 H new ATOM 0 HA2 GLY A 140 -13.580 -8.829 -1.717 1.00 0.00 H new ATOM 0 HA3 GLY A 140 -12.477 -10.045 -1.105 1.00 0.00 H new ATOM 903 N GLN A 141 -11.126 -8.071 0.398 1.00 0.00 N ATOM 904 CA GLN A 141 -10.728 -7.221 1.527 1.00 0.00 C ATOM 905 C GLN A 141 -10.938 -5.754 1.180 1.00 0.00 C ATOM 906 O GLN A 141 -10.364 -5.188 0.252 1.00 0.00 O ATOM 907 CB GLN A 141 -9.229 -7.384 1.808 1.00 0.00 C ATOM 908 CG GLN A 141 -8.825 -8.780 2.325 1.00 0.00 C ATOM 909 CD GLN A 141 -8.806 -8.848 3.863 1.00 0.00 C ATOM 910 OE1 GLN A 141 -9.424 -8.064 4.577 1.00 0.00 O ATOM 911 NE2 GLN A 141 -8.049 -9.778 4.391 1.00 0.00 N ATOM 0 H GLN A 141 -10.352 -8.589 -0.017 1.00 0.00 H new ATOM 0 HA GLN A 141 -11.329 -7.516 2.387 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -8.675 -7.175 0.893 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -8.926 -6.637 2.541 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -9.522 -9.524 1.939 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -7.838 -9.037 1.940 1.00 0.00 H new ATOM 0 HE21 GLN A 141 -7.540 -10.424 3.788 1.00 0.00 H new ATOM 0 HE22 GLN A 141 -7.969 -9.856 5.405 1.00 0.00 H new ATOM 912 N LYS A 142 -11.734 -5.165 2.047 1.00 0.00 N ATOM 913 CA LYS A 142 -11.925 -3.700 2.092 1.00 0.00 C ATOM 914 C LYS A 142 -10.587 -2.968 2.345 1.00 0.00 C ATOM 915 O LYS A 142 -10.374 -1.850 1.878 1.00 0.00 O ATOM 916 CB LYS A 142 -12.946 -3.379 3.176 1.00 0.00 C ATOM 917 CG LYS A 142 -14.263 -4.126 2.941 1.00 0.00 C ATOM 918 CD LYS A 142 -15.438 -3.628 3.807 1.00 0.00 C ATOM 919 CE LYS A 142 -15.306 -3.885 5.305 1.00 0.00 C ATOM 920 NZ LYS A 142 -14.472 -2.846 5.934 1.00 0.00 N ATOM 0 H LYS A 142 -12.274 -5.673 2.747 1.00 0.00 H new ATOM 0 HA LYS A 142 -12.295 -3.350 1.128 1.00 0.00 H new ATOM 0 HB2 LYS A 142 -12.541 -3.650 4.151 1.00 0.00 H new ATOM 0 HB3 LYS A 142 -13.133 -2.305 3.195 1.00 0.00 H new ATOM 0 HG2 LYS A 142 -14.537 -4.034 1.890 1.00 0.00 H new ATOM 0 HG3 LYS A 142 -14.106 -5.187 3.138 1.00 0.00 H new ATOM 0 HD2 LYS A 142 -15.554 -2.556 3.649 1.00 0.00 H new ATOM 0 HD3 LYS A 142 -16.353 -4.103 3.454 1.00 0.00 H new ATOM 0 HE2 LYS A 142 -16.293 -3.896 5.767 1.00 0.00 H new ATOM 0 HE3 LYS A 142 -14.864 -4.867 5.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 -13.616 -3.282 6.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 -14.201 -2.139 5.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 -15.010 -2.382 6.694 1.00 0.00 H new ATOM 921 N ALA A 143 -9.662 -3.710 2.958 1.00 0.00 N ATOM 922 CA ALA A 143 -8.260 -3.320 3.209 1.00 0.00 C ATOM 923 C ALA A 143 -7.537 -2.788 1.960 1.00 0.00 C ATOM 924 O ALA A 143 -7.004 -1.687 1.983 1.00 0.00 O ATOM 925 CB ALA A 143 -7.496 -4.518 3.771 1.00 0.00 C ATOM 0 H ALA A 143 -9.873 -4.643 3.312 1.00 0.00 H new ATOM 0 HA ALA A 143 -8.284 -2.500 3.926 1.00 0.00 H new ATOM 0 HB1 ALA A 143 -6.460 -4.234 3.958 1.00 0.00 H new ATOM 0 HB2 ALA A 143 -7.958 -4.839 4.705 1.00 0.00 H new ATOM 0 HB3 ALA A 143 -7.524 -5.337 3.052 1.00 0.00 H new ATOM 926 N ILE A 144 -7.664 -3.544 0.866 1.00 0.00 N ATOM 927 CA ILE A 144 -6.937 -3.290 -0.385 1.00 0.00 C ATOM 928 C ILE A 144 -7.479 -2.122 -1.230 1.00 0.00 C ATOM 929 O ILE A 144 -6.817 -1.667 -2.155 1.00 0.00 O ATOM 930 CB ILE A 144 -6.831 -4.567 -1.264 1.00 0.00 C ATOM 931 CG1 ILE A 144 -8.162 -4.944 -1.908 1.00 0.00 C ATOM 932 CG2 ILE A 144 -6.151 -5.694 -0.477 1.00 0.00 C ATOM 933 CD1 ILE A 144 -7.894 -5.777 -3.158 1.00 0.00 C ATOM 0 H ILE A 144 -8.279 -4.357 0.821 1.00 0.00 H new ATOM 0 HA ILE A 144 -5.944 -2.989 -0.050 1.00 0.00 H new ATOM 0 HB ILE A 144 -6.185 -4.359 -2.117 1.00 0.00 H new ATOM 0 HG12 ILE A 144 -8.774 -5.508 -1.204 1.00 0.00 H new ATOM 0 HG13 ILE A 144 -8.722 -4.046 -2.168 1.00 0.00 H new ATOM 0 HG21 ILE A 144 -6.082 -6.584 -1.102 1.00 0.00 H new ATOM 0 HG22 ILE A 144 -5.150 -5.379 -0.182 1.00 0.00 H new ATOM 0 HG23 ILE A 144 -6.737 -5.921 0.414 1.00 0.00 H new ATOM 0 HD11 ILE A 144 -8.841 -6.050 -3.623 1.00 0.00 H new ATOM 0 HD12 ILE A 144 -7.298 -5.196 -3.862 1.00 0.00 H new ATOM 0 HD13 ILE A 144 -7.351 -6.681 -2.883 1.00 0.00 H new ATOM 934 N LEU A 145 -8.716 -1.696 -0.945 1.00 0.00 N ATOM 935 CA LEU A 145 -9.438 -0.702 -1.764 1.00 0.00 C ATOM 936 C LEU A 145 -8.967 0.721 -1.455 1.00 0.00 C ATOM 937 O LEU A 145 -9.453 1.344 -0.504 1.00 0.00 O ATOM 938 CB LEU A 145 -10.953 -0.841 -1.558 1.00 0.00 C ATOM 939 CG LEU A 145 -11.481 -2.262 -1.771 1.00 0.00 C ATOM 940 CD1 LEU A 145 -12.964 -2.314 -1.373 1.00 0.00 C ATOM 941 CD2 LEU A 145 -11.340 -2.751 -3.212 1.00 0.00 C ATOM 0 H LEU A 145 -9.248 -2.028 -0.141 1.00 0.00 H new ATOM 0 HA LEU A 145 -9.214 -0.897 -2.813 1.00 0.00 H new ATOM 0 HB2 LEU A 145 -11.203 -0.519 -0.547 1.00 0.00 H new ATOM 0 HB3 LEU A 145 -11.466 -0.167 -2.244 1.00 0.00 H new ATOM 0 HG LEU A 145 -10.876 -2.920 -1.147 1.00 0.00 H new ATOM 0 HD11 LEU A 145 -13.346 -3.324 -1.523 1.00 0.00 H new ATOM 0 HD12 LEU A 145 -13.069 -2.038 -0.324 1.00 0.00 H new ATOM 0 HD13 LEU A 145 -13.531 -1.617 -1.990 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -11.733 -3.764 -3.292 1.00 0.00 H new ATOM 0 HD22 LEU A 145 -11.898 -2.091 -3.876 1.00 0.00 H new ATOM 0 HD23 LEU A 145 -10.288 -2.747 -3.496 1.00 0.00 H new ATOM 942 N PHE A 146 -7.926 1.155 -2.166 1.00 0.00 N ATOM 943 CA PHE A 146 -7.368 2.508 -1.945 1.00 0.00 C ATOM 944 C PHE A 146 -7.886 3.641 -2.817 1.00 0.00 C ATOM 945 O PHE A 146 -7.941 3.554 -4.038 1.00 0.00 O ATOM 946 CB PHE A 146 -5.839 2.511 -1.987 1.00 0.00 C ATOM 947 CG PHE A 146 -5.213 1.776 -0.798 1.00 0.00 C ATOM 948 CD1 PHE A 146 -5.224 0.376 -0.820 1.00 0.00 C ATOM 949 CD2 PHE A 146 -4.361 2.495 0.076 1.00 0.00 C ATOM 950 CE1 PHE A 146 -4.358 -0.352 0.019 1.00 0.00 C ATOM 951 CE2 PHE A 146 -3.485 1.765 0.899 1.00 0.00 C ATOM 952 CZ PHE A 146 -3.486 0.352 0.861 1.00 0.00 C ATOM 0 H PHE A 146 -7.454 0.610 -2.887 1.00 0.00 H new ATOM 0 HA PHE A 146 -7.743 2.730 -0.946 1.00 0.00 H new ATOM 0 HB2 PHE A 146 -5.504 2.045 -2.914 1.00 0.00 H new ATOM 0 HB3 PHE A 146 -5.482 3.541 -2.001 1.00 0.00 H new ATOM 0 HD1 PHE A 146 -5.898 -0.147 -1.482 1.00 0.00 H new ATOM 0 HD2 PHE A 146 -4.384 3.574 0.109 1.00 0.00 H new ATOM 0 HE1 PHE A 146 -4.366 -1.432 0.014 1.00 0.00 H new ATOM 0 HE2 PHE A 146 -2.810 2.285 1.562 1.00 0.00 H new ATOM 0 HZ PHE A 146 -2.802 -0.196 1.493 1.00 0.00 H new ATOM 953 N LEU A 147 -8.059 4.767 -2.133 1.00 0.00 N ATOM 954 CA LEU A 147 -8.408 6.069 -2.720 1.00 0.00 C ATOM 955 C LEU A 147 -7.191 7.001 -2.569 1.00 0.00 C ATOM 956 O LEU A 147 -6.817 7.355 -1.452 1.00 0.00 O ATOM 957 CB LEU A 147 -9.606 6.744 -2.031 1.00 0.00 C ATOM 958 CG LEU A 147 -10.848 5.860 -2.011 1.00 0.00 C ATOM 959 CD1 LEU A 147 -10.857 5.009 -0.738 1.00 0.00 C ATOM 960 CD2 LEU A 147 -12.107 6.719 -2.053 1.00 0.00 C ATOM 0 H LEU A 147 -7.958 4.806 -1.119 1.00 0.00 H new ATOM 0 HA LEU A 147 -8.682 5.895 -3.761 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -9.333 7.003 -1.008 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -9.837 7.677 -2.545 1.00 0.00 H new ATOM 0 HG LEU A 147 -10.829 5.210 -2.886 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -11.746 4.379 -0.728 1.00 0.00 H new ATOM 0 HD12 LEU A 147 -9.967 4.381 -0.714 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -10.864 5.661 0.135 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -12.987 6.076 -2.038 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -12.126 7.380 -1.186 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -12.110 7.316 -2.965 1.00 0.00 H new ATOM 961 N PRO A 148 -6.438 7.179 -3.670 1.00 0.00 N ATOM 962 CA PRO A 148 -5.384 8.196 -3.754 1.00 0.00 C ATOM 963 C PRO A 148 -5.839 9.598 -3.378 1.00 0.00 C ATOM 964 O PRO A 148 -6.654 10.223 -4.057 1.00 0.00 O ATOM 965 CB PRO A 148 -4.861 8.105 -5.190 1.00 0.00 C ATOM 966 CG PRO A 148 -4.960 6.610 -5.465 1.00 0.00 C ATOM 967 CD PRO A 148 -6.254 6.191 -4.746 1.00 0.00 C ATOM 0 HA PRO A 148 -4.602 8.000 -3.021 1.00 0.00 H new ATOM 0 HB2 PRO A 148 -5.466 8.689 -5.883 1.00 0.00 H new ATOM 0 HB3 PRO A 148 -3.837 8.469 -5.276 1.00 0.00 H new ATOM 0 HG2 PRO A 148 -5.011 6.402 -6.534 1.00 0.00 H new ATOM 0 HG3 PRO A 148 -4.094 6.073 -5.077 1.00 0.00 H new ATOM 0 HD2 PRO A 148 -7.102 6.192 -5.430 1.00 0.00 H new ATOM 0 HD3 PRO A 148 -6.171 5.182 -4.343 1.00 0.00 H new ATOM 968 N LEU A 149 -5.477 9.935 -2.145 1.00 0.00 N ATOM 969 CA LEU A 149 -5.660 11.278 -1.574 1.00 0.00 C ATOM 970 C LEU A 149 -4.256 11.882 -1.416 1.00 0.00 C ATOM 971 O LEU A 149 -3.528 11.523 -0.484 1.00 0.00 O ATOM 972 CB LEU A 149 -6.397 11.119 -0.246 1.00 0.00 C ATOM 973 CG LEU A 149 -7.269 12.345 0.031 1.00 0.00 C ATOM 974 CD1 LEU A 149 -8.422 12.438 -0.981 1.00 0.00 C ATOM 975 CD2 LEU A 149 -7.853 12.245 1.442 1.00 0.00 C ATOM 0 H LEU A 149 -5.041 9.277 -1.499 1.00 0.00 H new ATOM 0 HA LEU A 149 -6.254 11.945 -2.199 1.00 0.00 H new ATOM 0 HB2 LEU A 149 -7.017 10.223 -0.272 1.00 0.00 H new ATOM 0 HB3 LEU A 149 -5.678 10.986 0.562 1.00 0.00 H new ATOM 0 HG LEU A 149 -6.648 13.236 -0.060 1.00 0.00 H new ATOM 0 HD11 LEU A 149 -9.027 13.318 -0.763 1.00 0.00 H new ATOM 0 HD12 LEU A 149 -8.016 12.518 -1.989 1.00 0.00 H new ATOM 0 HD13 LEU A 149 -9.042 11.544 -0.910 1.00 0.00 H new ATOM 0 HD21 LEU A 149 -8.475 13.118 1.641 1.00 0.00 H new ATOM 0 HD22 LEU A 149 -8.459 11.342 1.522 1.00 0.00 H new ATOM 0 HD23 LEU A 149 -7.042 12.204 2.169 1.00 0.00 H new ATOM 976 N PRO A 150 -3.798 12.606 -2.448 1.00 0.00 N ATOM 977 CA PRO A 150 -2.363 12.936 -2.642 1.00 0.00 C ATOM 978 C PRO A 150 -1.755 13.801 -1.542 1.00 0.00 C ATOM 979 O PRO A 150 -2.058 14.984 -1.408 1.00 0.00 O ATOM 980 CB PRO A 150 -2.287 13.628 -4.004 1.00 0.00 C ATOM 981 CG PRO A 150 -3.564 13.177 -4.710 1.00 0.00 C ATOM 982 CD PRO A 150 -4.589 13.111 -3.580 1.00 0.00 C ATOM 0 HA PRO A 150 -1.770 12.023 -2.598 1.00 0.00 H new ATOM 0 HB2 PRO A 150 -2.248 14.712 -3.901 1.00 0.00 H new ATOM 0 HB3 PRO A 150 -1.397 13.328 -4.557 1.00 0.00 H new ATOM 0 HG2 PRO A 150 -3.865 13.882 -5.485 1.00 0.00 H new ATOM 0 HG3 PRO A 150 -3.435 12.208 -5.193 1.00 0.00 H new ATOM 0 HD2 PRO A 150 -5.019 14.090 -3.367 1.00 0.00 H new ATOM 0 HD3 PRO A 150 -5.417 12.445 -3.824 1.00 0.00 H new ATOM 983 N VAL A 151 -1.005 13.130 -0.681 1.00 0.00 N ATOM 984 CA VAL A 151 -0.080 13.802 0.251 1.00 0.00 C ATOM 985 C VAL A 151 1.287 13.950 -0.425 1.00 0.00 C ATOM 986 O VAL A 151 2.295 13.321 -0.103 1.00 0.00 O ATOM 987 CB VAL A 151 -0.011 13.139 1.647 1.00 0.00 C ATOM 988 CG1 VAL A 151 -1.260 13.488 2.448 1.00 0.00 C ATOM 989 CG2 VAL A 151 0.223 11.624 1.614 1.00 0.00 C ATOM 0 H VAL A 151 -1.012 12.113 -0.600 1.00 0.00 H new ATOM 0 HA VAL A 151 -0.471 14.796 0.466 1.00 0.00 H new ATOM 0 HB VAL A 151 0.870 13.548 2.141 1.00 0.00 H new ATOM 0 HG11 VAL A 151 -1.206 13.018 3.430 1.00 0.00 H new ATOM 0 HG12 VAL A 151 -1.326 14.570 2.566 1.00 0.00 H new ATOM 0 HG13 VAL A 151 -2.143 13.126 1.921 1.00 0.00 H new ATOM 0 HG21 VAL A 151 0.258 11.239 2.633 1.00 0.00 H new ATOM 0 HG22 VAL A 151 -0.590 11.142 1.072 1.00 0.00 H new ATOM 0 HG23 VAL A 151 1.168 11.413 1.114 1.00 0.00 H new ATOM 990 N SER A 152 1.220 14.788 -1.456 1.00 0.00 N ATOM 991 CA SER A 152 2.314 14.973 -2.421 1.00 0.00 C ATOM 992 C SER A 152 2.851 16.402 -2.410 1.00 0.00 C ATOM 993 O SER A 152 2.316 17.324 -3.041 1.00 0.00 O ATOM 994 CB SER A 152 1.834 14.611 -3.829 1.00 0.00 C ATOM 995 OG SER A 152 1.176 13.342 -3.814 1.00 0.00 O ATOM 0 H SER A 152 0.402 15.365 -1.652 1.00 0.00 H new ATOM 0 HA SER A 152 3.128 14.311 -2.125 1.00 0.00 H new ATOM 0 HB2 SER A 152 1.153 15.378 -4.197 1.00 0.00 H new ATOM 0 HB3 SER A 152 2.681 14.582 -4.514 1.00 0.00 H new ATOM 0 HG SER A 152 1.542 12.792 -3.090 1.00 0.00 H new ATOM 996 N SER A 153 3.817 16.604 -1.536 1.00 0.00 N ATOM 997 CA SER A 153 4.554 17.877 -1.450 1.00 0.00 C ATOM 998 C SER A 153 5.529 18.026 -2.626 1.00 0.00 C ATOM 999 O SER A 153 6.631 17.477 -2.654 1.00 0.00 O ATOM 1000 CB SER A 153 5.257 17.996 -0.096 1.00 0.00 C ATOM 1001 OG SER A 153 5.875 19.284 -0.031 1.00 0.00 O ATOM 0 H SER A 153 4.122 15.902 -0.862 1.00 0.00 H new ATOM 0 HA SER A 153 3.844 18.701 -1.522 1.00 0.00 H new ATOM 0 HB2 SER A 153 4.541 17.875 0.717 1.00 0.00 H new ATOM 0 HB3 SER A 153 6.003 17.209 0.017 1.00 0.00 H new ATOM 0 HG SER A 153 6.332 19.385 0.830 1.00 0.00 H new ATOM 1002 N ASP A 154 4.936 18.518 -3.706 1.00 0.00 N ATOM 1003 CA ASP A 154 5.617 18.792 -4.992 1.00 0.00 C ATOM 1004 C ASP A 154 5.285 20.183 -5.557 1.00 0.00 C ATOM 1005 O ASP A 154 4.113 20.593 -5.421 1.00 0.00 O ATOM 1006 CB ASP A 154 5.253 17.690 -5.999 1.00 0.00 C ATOM 1007 CG ASP A 154 5.762 16.311 -5.572 1.00 0.00 C ATOM 1008 OD1 ASP A 154 5.006 15.610 -4.868 1.00 0.00 O ATOM 1009 OD2 ASP A 154 6.912 15.985 -5.968 1.00 0.00 O ATOM 1010 OXT ASP A 154 6.218 20.805 -6.115 1.00 0.00 O ATOM 0 H ASP A 154 3.942 18.748 -3.726 1.00 0.00 H new ATOM 0 HA ASP A 154 6.692 18.789 -4.810 1.00 0.00 H new ATOM 0 HB2 ASP A 154 4.170 17.653 -6.116 1.00 0.00 H new ATOM 0 HB3 ASP A 154 5.671 17.941 -6.974 1.00 0.00 H new TER 1011 ASP A 154