USER MOD reduce.3.24.130724 H: found=0, std=0, add=887, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 887 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 71 ASN : amide:sc= 0.949 K(o=1.5,f=-9.3!) USER MOD Set 1.2: A 74 LYS NZ :NH3+ 144:sc= 0.601 (180deg=-2.17!) USER MOD Set 2.1: A 63 GLN : amide:sc= 0.296 K(o=0.57,f=-0.32) USER MOD Set 2.2: A 67 ASN : amide:sc= 0.27 K(o=0.57,f=-0.65) USER MOD Set 3.1: A 46 SER OG : rot 8:sc= 0.687 USER MOD Set 3.2: A 50 ASN : amide:sc= -0.077 X(o=0.61,f=0.57) USER MOD Set 4.1: A 19 GLN : amide:sc= 0.707 K(o=3.9,f=-1.8) USER MOD Set 4.2: A 23 LYS NZ :NH3+ -170:sc= 1.06 (180deg=0) USER MOD Set 4.3: A 33 THR OG1 : rot -84:sc= 2.2 USER MOD Set 4.4: A 59 ASN : amide:sc= -0.0191 K(o=3.9,f=2!) USER MOD Single : A 1 MET CE :methyl -167:sc= -0.0464 (180deg=-0.302) USER MOD Single : A 1 MET N :NH3+ 162:sc= 0.557 (180deg=0.315) USER MOD Single : A 3 LYS NZ :NH3+ 157:sc= 0.377 (180deg=-0.245) USER MOD Single : A 9 SER OG : rot -116:sc= -0.814 USER MOD Single : A 10 THR OG1 : rot 51:sc= 0.0405 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 69:sc= 1.25 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= -0.0446 X(o=-0.045,f=0) USER MOD Single : A 26 TYR OH : rot 180:sc= -0.751 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= -0.0121 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.0667 X(o=-0.067,f=0) USER MOD Single : A 45 LYS NZ :NH3+ -161:sc= -0.104 (180deg=-0.432) USER MOD Single : A 47 MET CE :methyl -123:sc= -1.55 (180deg=-2.83!) USER MOD Single : A 48 LYS NZ :NH3+ -132:sc= -0.379! (180deg=-3.71!) USER MOD Single : A 52 LYS NZ :NH3+ 141:sc= 1.16 (180deg=0.245) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.0391 K(o=-0.039,f=-0.56) USER MOD Single : A 70 GLN : amide:sc= -0.571 X(o=-0.57,f=-0.42) USER MOD Single : A 75 LYS NZ :NH3+ -105:sc= 0.788 (180deg=-0.177) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 170:sc=-0.00408 (180deg=-0.103) USER MOD Single : A 85 SER OG : rot 47:sc= 0.151 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 80:sc= 0.587 USER MOD Single : A 93 GLN : amide:sc= -0.199 K(o=-0.2,f=-2) USER MOD Single : A 100 LYS NZ :NH3+ -155:sc= -0.185 (180deg=-0.763) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=-0.0047) USER MOD Single : A 108 HIS : no HD1:sc=-0.00353 X(o=-0.0035,f=-0.003) USER MOD Single : A 109 HIS : no HD1:sc=-0.000694 X(o=-0.00069,f=-0.00069) USER MOD Single : A 110 HIS : no HD1:sc= -1.75! K(o=-1.8!,f=-0.017) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 112 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.094 16.309 -1.221 1.00 14.33 N ATOM 2 CA MET A 1 2.672 15.708 0.063 1.00 2.01 C ATOM 3 C MET A 1 2.616 14.177 -0.097 1.00 2.13 C ATOM 4 O MET A 1 1.563 13.601 -0.410 1.00 33.50 O ATOM 5 CB MET A 1 1.311 16.308 0.518 1.00 14.42 C ATOM 6 CG MET A 1 0.880 15.925 1.940 1.00 31.02 C ATOM 7 SD MET A 1 -0.749 16.569 2.398 1.00 0.12 S ATOM 8 CE MET A 1 -0.497 18.348 2.290 1.00 62.01 C ATOM 0 H1 MET A 1 2.848 17.319 -1.229 1.00 14.33 H new ATOM 0 H2 MET A 1 4.122 16.202 -1.333 1.00 14.33 H new ATOM 0 H3 MET A 1 2.609 15.828 -2.005 1.00 14.33 H new ATOM 0 HA MET A 1 3.394 15.941 0.846 1.00 2.01 H new ATOM 0 HB2 MET A 1 1.369 17.394 0.452 1.00 14.42 H new ATOM 0 HB3 MET A 1 0.537 15.987 -0.180 1.00 14.42 H new ATOM 0 HG2 MET A 1 0.871 14.839 2.028 1.00 31.02 H new ATOM 0 HG3 MET A 1 1.621 16.296 2.648 1.00 31.02 H new ATOM 0 HE1 MET A 1 -1.333 18.863 2.762 1.00 62.01 H new ATOM 0 HE2 MET A 1 0.429 18.616 2.799 1.00 62.01 H new ATOM 0 HE3 MET A 1 -0.433 18.644 1.243 1.00 62.01 H new ATOM 20 N GLY A 2 3.792 13.534 0.057 1.00 74.23 N ATOM 21 CA GLY A 2 3.947 12.100 -0.170 1.00 43.41 C ATOM 22 C GLY A 2 3.469 11.273 1.011 1.00 24.14 C ATOM 23 O GLY A 2 4.201 11.111 1.994 1.00 51.34 O ATOM 0 H GLY A 2 4.653 14.001 0.342 1.00 74.23 H new ATOM 0 HA2 GLY A 2 3.388 11.813 -1.061 1.00 43.41 H new ATOM 0 HA3 GLY A 2 4.996 11.877 -0.366 1.00 43.41 H new ATOM 27 N LYS A 3 2.228 10.773 0.919 1.00 0.02 N ATOM 28 CA LYS A 3 1.653 9.839 1.898 1.00 3.53 C ATOM 29 C LYS A 3 0.997 8.664 1.176 1.00 1.54 C ATOM 30 O LYS A 3 0.417 8.830 0.094 1.00 30.41 O ATOM 31 CB LYS A 3 0.654 10.541 2.855 1.00 42.10 C ATOM 32 CG LYS A 3 -0.417 11.434 2.194 1.00 41.30 C ATOM 33 CD LYS A 3 -1.520 11.859 3.196 1.00 53.04 C ATOM 34 CE LYS A 3 -0.992 12.576 4.449 1.00 11.02 C ATOM 35 NZ LYS A 3 -0.351 13.883 4.137 1.00 43.54 N ATOM 0 H LYS A 3 1.591 11.007 0.158 1.00 0.02 H new ATOM 0 HA LYS A 3 2.465 9.460 2.519 1.00 3.53 H new ATOM 0 HB2 LYS A 3 0.146 9.775 3.441 1.00 42.10 H new ATOM 0 HB3 LYS A 3 1.224 11.152 3.555 1.00 42.10 H new ATOM 0 HG2 LYS A 3 0.058 12.323 1.780 1.00 41.30 H new ATOM 0 HG3 LYS A 3 -0.872 10.898 1.361 1.00 41.30 H new ATOM 0 HD2 LYS A 3 -2.225 12.515 2.686 1.00 53.04 H new ATOM 0 HD3 LYS A 3 -2.075 10.973 3.505 1.00 53.04 H new ATOM 0 HE2 LYS A 3 -1.816 12.737 5.144 1.00 11.02 H new ATOM 0 HE3 LYS A 3 -0.270 11.933 4.953 1.00 11.02 H new ATOM 0 HZ1 LYS A 3 -0.366 14.488 4.983 1.00 43.54 H new ATOM 0 HZ2 LYS A 3 0.634 13.725 3.842 1.00 43.54 H new ATOM 0 HZ3 LYS A 3 -0.872 14.350 3.368 1.00 43.54 H new ATOM 49 N VAL A 4 1.105 7.472 1.782 1.00 34.04 N ATOM 50 CA VAL A 4 0.642 6.214 1.178 1.00 11.20 C ATOM 51 C VAL A 4 -0.217 5.414 2.162 1.00 45.42 C ATOM 52 O VAL A 4 -0.091 5.562 3.377 1.00 63.12 O ATOM 53 CB VAL A 4 1.867 5.351 0.689 1.00 1.11 C ATOM 54 CG1 VAL A 4 2.763 4.875 1.850 1.00 32.23 C ATOM 55 CG2 VAL A 4 1.425 4.174 -0.197 1.00 53.11 C ATOM 0 H VAL A 4 1.517 7.353 2.707 1.00 34.04 H new ATOM 0 HA VAL A 4 0.025 6.463 0.315 1.00 11.20 H new ATOM 0 HB VAL A 4 2.476 6.014 0.075 1.00 1.11 H new ATOM 0 HG11 VAL A 4 3.590 4.286 1.454 1.00 32.23 H new ATOM 0 HG12 VAL A 4 3.157 5.740 2.384 1.00 32.23 H new ATOM 0 HG13 VAL A 4 2.176 4.262 2.535 1.00 32.23 H new ATOM 0 HG21 VAL A 4 2.301 3.606 -0.511 1.00 53.11 H new ATOM 0 HG22 VAL A 4 0.755 3.525 0.367 1.00 53.11 H new ATOM 0 HG23 VAL A 4 0.905 4.555 -1.076 1.00 53.11 H new ATOM 65 N LEU A 5 -1.130 4.606 1.612 1.00 73.13 N ATOM 66 CA LEU A 5 -1.893 3.617 2.370 1.00 31.24 C ATOM 67 C LEU A 5 -1.253 2.240 2.136 1.00 13.43 C ATOM 68 O LEU A 5 -1.477 1.614 1.091 1.00 72.23 O ATOM 69 CB LEU A 5 -3.379 3.625 1.923 1.00 1.22 C ATOM 70 CG LEU A 5 -4.340 2.709 2.748 1.00 34.10 C ATOM 71 CD1 LEU A 5 -4.412 3.152 4.226 1.00 73.31 C ATOM 72 CD2 LEU A 5 -5.740 2.642 2.098 1.00 65.14 C ATOM 0 H LEU A 5 -1.360 4.623 0.618 1.00 73.13 H new ATOM 0 HA LEU A 5 -1.872 3.855 3.434 1.00 31.24 H new ATOM 0 HB2 LEU A 5 -3.749 4.649 1.975 1.00 1.22 H new ATOM 0 HB3 LEU A 5 -3.426 3.321 0.877 1.00 1.22 H new ATOM 0 HG LEU A 5 -3.929 1.700 2.738 1.00 34.10 H new ATOM 0 HD11 LEU A 5 -5.089 2.494 4.771 1.00 73.31 H new ATOM 0 HD12 LEU A 5 -3.418 3.099 4.671 1.00 73.31 H new ATOM 0 HD13 LEU A 5 -4.780 4.177 4.281 1.00 73.31 H new ATOM 0 HD21 LEU A 5 -6.387 1.998 2.693 1.00 65.14 H new ATOM 0 HD22 LEU A 5 -6.168 3.643 2.052 1.00 65.14 H new ATOM 0 HD23 LEU A 5 -5.654 2.237 1.090 1.00 65.14 H new ATOM 84 N LEU A 6 -0.397 1.815 3.078 1.00 55.13 N ATOM 85 CA LEU A 6 0.261 0.501 3.024 1.00 33.51 C ATOM 86 C LEU A 6 -0.756 -0.597 3.424 1.00 50.34 C ATOM 87 O LEU A 6 -0.923 -0.913 4.606 1.00 22.33 O ATOM 88 CB LEU A 6 1.513 0.504 3.961 1.00 11.53 C ATOM 89 CG LEU A 6 2.370 -0.807 4.001 1.00 1.10 C ATOM 90 CD1 LEU A 6 2.976 -1.137 2.623 1.00 24.03 C ATOM 91 CD2 LEU A 6 3.464 -0.732 5.099 1.00 42.24 C ATOM 0 H LEU A 6 -0.142 2.370 3.895 1.00 55.13 H new ATOM 0 HA LEU A 6 0.605 0.290 2.011 1.00 33.51 H new ATOM 0 HB2 LEU A 6 2.162 1.325 3.657 1.00 11.53 H new ATOM 0 HB3 LEU A 6 1.178 0.721 4.975 1.00 11.53 H new ATOM 0 HG LEU A 6 1.698 -1.625 4.260 1.00 1.10 H new ATOM 0 HD11 LEU A 6 3.563 -2.053 2.693 1.00 24.03 H new ATOM 0 HD12 LEU A 6 2.175 -1.274 1.897 1.00 24.03 H new ATOM 0 HD13 LEU A 6 3.620 -0.318 2.303 1.00 24.03 H new ATOM 0 HD21 LEU A 6 4.041 -1.657 5.101 1.00 42.24 H new ATOM 0 HD22 LEU A 6 4.127 0.109 4.895 1.00 42.24 H new ATOM 0 HD23 LEU A 6 2.993 -0.596 6.073 1.00 42.24 H new ATOM 103 N VAL A 7 -1.444 -1.137 2.408 1.00 21.02 N ATOM 104 CA VAL A 7 -2.439 -2.213 2.555 1.00 35.42 C ATOM 105 C VAL A 7 -1.714 -3.563 2.675 1.00 1.01 C ATOM 106 O VAL A 7 -1.134 -4.062 1.692 1.00 43.13 O ATOM 107 CB VAL A 7 -3.436 -2.248 1.324 1.00 30.44 C ATOM 108 CG1 VAL A 7 -4.500 -3.363 1.468 1.00 71.25 C ATOM 109 CG2 VAL A 7 -4.093 -0.869 1.101 1.00 72.44 C ATOM 0 H VAL A 7 -1.323 -0.833 1.442 1.00 21.02 H new ATOM 0 HA VAL A 7 -3.023 -2.022 3.455 1.00 35.42 H new ATOM 0 HB VAL A 7 -2.846 -2.486 0.439 1.00 30.44 H new ATOM 0 HG11 VAL A 7 -5.161 -3.349 0.602 1.00 71.25 H new ATOM 0 HG12 VAL A 7 -4.005 -4.332 1.531 1.00 71.25 H new ATOM 0 HG13 VAL A 7 -5.084 -3.194 2.373 1.00 71.25 H new ATOM 0 HG21 VAL A 7 -4.772 -0.923 0.250 1.00 72.44 H new ATOM 0 HG22 VAL A 7 -4.651 -0.583 1.993 1.00 72.44 H new ATOM 0 HG23 VAL A 7 -3.321 -0.126 0.902 1.00 72.44 H new ATOM 119 N ILE A 8 -1.704 -4.113 3.899 1.00 72.45 N ATOM 120 CA ILE A 8 -1.114 -5.418 4.197 1.00 23.24 C ATOM 121 C ILE A 8 -2.224 -6.418 4.534 1.00 30.33 C ATOM 122 O ILE A 8 -3.083 -6.149 5.390 1.00 51.12 O ATOM 123 CB ILE A 8 -0.101 -5.355 5.400 1.00 62.31 C ATOM 124 CG1 ILE A 8 0.875 -4.153 5.236 1.00 55.31 C ATOM 125 CG2 ILE A 8 0.676 -6.697 5.540 1.00 21.13 C ATOM 126 CD1 ILE A 8 1.876 -4.001 6.354 1.00 34.12 C ATOM 0 H ILE A 8 -2.111 -3.656 4.715 1.00 72.45 H new ATOM 0 HA ILE A 8 -0.564 -5.735 3.311 1.00 23.24 H new ATOM 0 HB ILE A 8 -0.669 -5.202 6.318 1.00 62.31 H new ATOM 0 HG12 ILE A 8 1.414 -4.265 4.296 1.00 55.31 H new ATOM 0 HG13 ILE A 8 0.291 -3.235 5.161 1.00 55.31 H new ATOM 0 HG21 ILE A 8 1.370 -6.630 6.378 1.00 21.13 H new ATOM 0 HG22 ILE A 8 -0.029 -7.509 5.717 1.00 21.13 H new ATOM 0 HG23 ILE A 8 1.232 -6.893 4.623 1.00 21.13 H new ATOM 0 HD11 ILE A 8 2.514 -3.140 6.157 1.00 34.12 H new ATOM 0 HD12 ILE A 8 1.349 -3.854 7.297 1.00 34.12 H new ATOM 0 HD13 ILE A 8 2.489 -4.900 6.418 1.00 34.12 H new ATOM 138 N SER A 9 -2.178 -7.560 3.855 1.00 22.40 N ATOM 139 CA SER A 9 -3.042 -8.705 4.098 1.00 21.12 C ATOM 140 C SER A 9 -2.205 -9.978 3.895 1.00 55.21 C ATOM 141 O SER A 9 -1.302 -10.009 3.045 1.00 12.15 O ATOM 142 CB SER A 9 -4.261 -8.668 3.142 1.00 14.31 C ATOM 143 OG SER A 9 -5.045 -9.851 3.219 1.00 31.04 O ATOM 0 H SER A 9 -1.515 -7.717 3.096 1.00 22.40 H new ATOM 0 HA SER A 9 -3.433 -8.686 5.115 1.00 21.12 H new ATOM 0 HB2 SER A 9 -4.883 -7.806 3.384 1.00 14.31 H new ATOM 0 HB3 SER A 9 -3.913 -8.532 2.118 1.00 14.31 H new ATOM 0 HG SER A 9 -5.025 -10.314 2.355 1.00 31.04 H new ATOM 149 N THR A 10 -2.498 -11.005 4.697 1.00 70.14 N ATOM 150 CA THR A 10 -1.851 -12.323 4.597 1.00 33.44 C ATOM 151 C THR A 10 -2.484 -13.159 3.464 1.00 50.42 C ATOM 152 O THR A 10 -1.946 -14.199 3.060 1.00 41.41 O ATOM 153 CB THR A 10 -1.978 -13.079 5.963 1.00 24.30 C ATOM 154 OG1 THR A 10 -3.360 -13.112 6.376 1.00 43.22 O ATOM 155 CG2 THR A 10 -1.145 -12.407 7.074 1.00 40.15 C ATOM 0 H THR A 10 -3.195 -10.949 5.440 1.00 70.14 H new ATOM 0 HA THR A 10 -0.796 -12.177 4.363 1.00 33.44 H new ATOM 0 HB THR A 10 -1.598 -14.089 5.811 1.00 24.30 H new ATOM 0 HG1 THR A 10 -3.914 -13.443 5.639 1.00 43.22 H new ATOM 0 HG21 THR A 10 -1.262 -12.964 8.004 1.00 40.15 H new ATOM 0 HG22 THR A 10 -0.094 -12.399 6.786 1.00 40.15 H new ATOM 0 HG23 THR A 10 -1.490 -11.383 7.218 1.00 40.15 H new ATOM 163 N ASP A 11 -3.633 -12.676 2.964 1.00 11.23 N ATOM 164 CA ASP A 11 -4.451 -13.360 1.964 1.00 20.44 C ATOM 165 C ASP A 11 -4.326 -12.661 0.611 1.00 73.43 C ATOM 166 O ASP A 11 -4.922 -11.601 0.394 1.00 10.55 O ATOM 167 CB ASP A 11 -5.919 -13.390 2.431 1.00 21.42 C ATOM 168 CG ASP A 11 -6.102 -14.221 3.703 1.00 74.11 C ATOM 169 OD1 ASP A 11 -5.995 -13.663 4.816 1.00 63.33 O ATOM 170 OD2 ASP A 11 -6.316 -15.449 3.599 1.00 12.10 O ATOM 0 H ASP A 11 -4.023 -11.779 3.254 1.00 11.23 H new ATOM 0 HA ASP A 11 -4.099 -14.385 1.849 1.00 20.44 H new ATOM 0 HB2 ASP A 11 -6.262 -12.371 2.612 1.00 21.42 H new ATOM 0 HB3 ASP A 11 -6.543 -13.801 1.637 1.00 21.42 H new ATOM 175 N THR A 12 -3.545 -13.275 -0.288 1.00 13.21 N ATOM 176 CA THR A 12 -3.283 -12.757 -1.641 1.00 44.40 C ATOM 177 C THR A 12 -4.523 -12.842 -2.549 1.00 32.42 C ATOM 178 O THR A 12 -4.603 -12.137 -3.562 1.00 51.25 O ATOM 179 CB THR A 12 -2.076 -13.516 -2.268 1.00 73.12 C ATOM 180 OG1 THR A 12 -2.327 -14.935 -2.250 1.00 23.04 O ATOM 181 CG2 THR A 12 -0.772 -13.216 -1.502 1.00 70.34 C ATOM 0 H THR A 12 -3.070 -14.157 -0.095 1.00 13.21 H new ATOM 0 HA THR A 12 -3.036 -11.699 -1.554 1.00 44.40 H new ATOM 0 HB THR A 12 -1.959 -13.174 -3.297 1.00 73.12 H new ATOM 0 HG1 THR A 12 -1.565 -15.407 -2.647 1.00 23.04 H new ATOM 0 HG21 THR A 12 0.053 -13.759 -1.962 1.00 70.34 H new ATOM 0 HG22 THR A 12 -0.567 -12.146 -1.538 1.00 70.34 H new ATOM 0 HG23 THR A 12 -0.879 -13.530 -0.464 1.00 70.34 H new ATOM 189 N ASN A 13 -5.476 -13.711 -2.174 1.00 62.25 N ATOM 190 CA ASN A 13 -6.804 -13.783 -2.814 1.00 63.34 C ATOM 191 C ASN A 13 -7.613 -12.501 -2.525 1.00 72.22 C ATOM 192 O ASN A 13 -8.267 -11.959 -3.418 1.00 63.42 O ATOM 193 CB ASN A 13 -7.584 -15.044 -2.332 1.00 51.44 C ATOM 194 CG ASN A 13 -7.067 -16.351 -2.957 1.00 4.24 C ATOM 195 OD1 ASN A 13 -6.161 -16.998 -2.429 1.00 51.11 O ATOM 196 ND2 ASN A 13 -7.640 -16.748 -4.090 1.00 42.05 N ATOM 0 H ASN A 13 -5.349 -14.385 -1.419 1.00 62.25 H new ATOM 0 HA ASN A 13 -6.660 -13.865 -3.891 1.00 63.34 H new ATOM 0 HB2 ASN A 13 -7.513 -15.115 -1.247 1.00 51.44 H new ATOM 0 HB3 ASN A 13 -8.640 -14.925 -2.575 1.00 51.44 H new ATOM 0 HD21 ASN A 13 -7.331 -17.608 -4.544 1.00 42.05 H new ATOM 0 HD22 ASN A 13 -8.388 -16.193 -4.505 1.00 42.05 H new ATOM 203 N ILE A 14 -7.533 -12.012 -1.270 1.00 13.31 N ATOM 204 CA ILE A 14 -8.252 -10.795 -0.829 1.00 25.25 C ATOM 205 C ILE A 14 -7.572 -9.536 -1.402 1.00 1.20 C ATOM 206 O ILE A 14 -8.252 -8.588 -1.796 1.00 73.31 O ATOM 207 CB ILE A 14 -8.330 -10.703 0.742 1.00 22.21 C ATOM 208 CG1 ILE A 14 -9.011 -11.981 1.341 1.00 3.54 C ATOM 209 CG2 ILE A 14 -9.050 -9.412 1.209 1.00 61.14 C ATOM 210 CD1 ILE A 14 -10.433 -12.270 0.869 1.00 51.20 C ATOM 0 H ILE A 14 -6.972 -12.445 -0.537 1.00 13.31 H new ATOM 0 HA ILE A 14 -9.272 -10.857 -1.210 1.00 25.25 H new ATOM 0 HB ILE A 14 -7.308 -10.654 1.119 1.00 22.21 H new ATOM 0 HG12 ILE A 14 -8.389 -12.844 1.103 1.00 3.54 H new ATOM 0 HG13 ILE A 14 -9.023 -11.886 2.427 1.00 3.54 H new ATOM 0 HG21 ILE A 14 -9.083 -9.387 2.298 1.00 61.14 H new ATOM 0 HG22 ILE A 14 -8.508 -8.540 0.842 1.00 61.14 H new ATOM 0 HG23 ILE A 14 -10.066 -9.399 0.815 1.00 61.14 H new ATOM 0 HD11 ILE A 14 -10.799 -13.177 1.350 1.00 51.20 H new ATOM 0 HD12 ILE A 14 -11.081 -11.433 1.131 1.00 51.20 H new ATOM 0 HD13 ILE A 14 -10.437 -12.406 -0.212 1.00 51.20 H new ATOM 222 N ILE A 15 -6.223 -9.554 -1.445 1.00 62.13 N ATOM 223 CA ILE A 15 -5.416 -8.479 -2.064 1.00 73.32 C ATOM 224 C ILE A 15 -5.804 -8.324 -3.542 1.00 32.30 C ATOM 225 O ILE A 15 -6.068 -7.220 -3.996 1.00 61.50 O ATOM 226 CB ILE A 15 -3.875 -8.780 -1.919 1.00 12.03 C ATOM 227 CG1 ILE A 15 -3.496 -8.846 -0.408 1.00 72.24 C ATOM 228 CG2 ILE A 15 -3.001 -7.743 -2.674 1.00 13.03 C ATOM 229 CD1 ILE A 15 -2.110 -9.370 -0.117 1.00 2.53 C ATOM 0 H ILE A 15 -5.663 -10.311 -1.053 1.00 62.13 H new ATOM 0 HA ILE A 15 -5.622 -7.543 -1.545 1.00 73.32 H new ATOM 0 HB ILE A 15 -3.673 -9.746 -2.381 1.00 12.03 H new ATOM 0 HG12 ILE A 15 -3.586 -7.846 0.017 1.00 72.24 H new ATOM 0 HG13 ILE A 15 -4.221 -9.477 0.105 1.00 72.24 H new ATOM 0 HG21 ILE A 15 -1.948 -7.992 -2.545 1.00 13.03 H new ATOM 0 HG22 ILE A 15 -3.251 -7.760 -3.735 1.00 13.03 H new ATOM 0 HG23 ILE A 15 -3.190 -6.747 -2.273 1.00 13.03 H new ATOM 0 HD11 ILE A 15 -1.942 -9.377 0.960 1.00 2.53 H new ATOM 0 HD12 ILE A 15 -2.015 -10.384 -0.506 1.00 2.53 H new ATOM 0 HD13 ILE A 15 -1.370 -8.728 -0.595 1.00 2.53 H new ATOM 241 N SER A 16 -5.900 -9.468 -4.250 1.00 51.43 N ATOM 242 CA SER A 16 -6.326 -9.519 -5.657 1.00 70.40 C ATOM 243 C SER A 16 -7.747 -8.952 -5.819 1.00 34.24 C ATOM 244 O SER A 16 -7.993 -8.164 -6.725 1.00 14.23 O ATOM 245 CB SER A 16 -6.257 -10.974 -6.183 1.00 75.24 C ATOM 246 OG SER A 16 -6.650 -11.063 -7.543 1.00 52.43 O ATOM 0 H SER A 16 -5.683 -10.384 -3.857 1.00 51.43 H new ATOM 0 HA SER A 16 -5.648 -8.902 -6.246 1.00 70.40 H new ATOM 0 HB2 SER A 16 -5.241 -11.352 -6.073 1.00 75.24 H new ATOM 0 HB3 SER A 16 -6.901 -11.610 -5.576 1.00 75.24 H new ATOM 0 HG SER A 16 -6.592 -11.995 -7.840 1.00 52.43 H new ATOM 252 N SER A 17 -8.661 -9.345 -4.910 1.00 23.14 N ATOM 253 CA SER A 17 -10.069 -8.895 -4.935 1.00 71.13 C ATOM 254 C SER A 17 -10.169 -7.358 -4.846 1.00 51.22 C ATOM 255 O SER A 17 -10.710 -6.708 -5.745 1.00 32.42 O ATOM 256 CB SER A 17 -10.851 -9.552 -3.774 1.00 33.44 C ATOM 257 OG SER A 17 -10.802 -10.969 -3.867 1.00 12.34 O ATOM 0 H SER A 17 -8.447 -9.980 -4.141 1.00 23.14 H new ATOM 0 HA SER A 17 -10.508 -9.202 -5.884 1.00 71.13 H new ATOM 0 HB2 SER A 17 -10.431 -9.232 -2.820 1.00 33.44 H new ATOM 0 HB3 SER A 17 -11.888 -9.218 -3.794 1.00 33.44 H new ATOM 0 HG SER A 17 -9.889 -11.277 -3.687 1.00 12.34 H new ATOM 263 N VAL A 18 -9.568 -6.807 -3.781 1.00 10.52 N ATOM 264 CA VAL A 18 -9.642 -5.375 -3.439 1.00 3.13 C ATOM 265 C VAL A 18 -8.886 -4.510 -4.464 1.00 23.04 C ATOM 266 O VAL A 18 -9.332 -3.419 -4.793 1.00 45.10 O ATOM 267 CB VAL A 18 -9.061 -5.116 -1.996 1.00 32.45 C ATOM 268 CG1 VAL A 18 -9.053 -3.611 -1.633 1.00 11.31 C ATOM 269 CG2 VAL A 18 -9.837 -5.932 -0.943 1.00 22.31 C ATOM 0 H VAL A 18 -9.009 -7.349 -3.123 1.00 10.52 H new ATOM 0 HA VAL A 18 -10.694 -5.091 -3.459 1.00 3.13 H new ATOM 0 HB VAL A 18 -8.023 -5.450 -1.999 1.00 32.45 H new ATOM 0 HG11 VAL A 18 -8.645 -3.481 -0.631 1.00 11.31 H new ATOM 0 HG12 VAL A 18 -8.437 -3.067 -2.349 1.00 11.31 H new ATOM 0 HG13 VAL A 18 -10.072 -3.224 -1.663 1.00 11.31 H new ATOM 0 HG21 VAL A 18 -9.421 -5.739 0.046 1.00 22.31 H new ATOM 0 HG22 VAL A 18 -10.887 -5.640 -0.958 1.00 22.31 H new ATOM 0 HG23 VAL A 18 -9.753 -6.994 -1.171 1.00 22.31 H new ATOM 279 N GLN A 19 -7.754 -5.024 -4.964 1.00 11.44 N ATOM 280 CA GLN A 19 -6.857 -4.284 -5.878 1.00 64.05 C ATOM 281 C GLN A 19 -7.427 -4.239 -7.304 1.00 61.51 C ATOM 282 O GLN A 19 -7.231 -3.253 -8.027 1.00 61.21 O ATOM 283 CB GLN A 19 -5.455 -4.931 -5.847 1.00 61.24 C ATOM 284 CG GLN A 19 -4.379 -4.234 -6.686 1.00 33.52 C ATOM 285 CD GLN A 19 -2.971 -4.817 -6.502 1.00 40.01 C ATOM 286 OE1 GLN A 19 -1.986 -4.096 -6.609 1.00 5.03 O ATOM 287 NE2 GLN A 19 -2.855 -6.120 -6.243 1.00 32.42 N ATOM 0 H GLN A 19 -7.429 -5.967 -4.749 1.00 11.44 H new ATOM 0 HA GLN A 19 -6.776 -3.251 -5.541 1.00 64.05 H new ATOM 0 HB2 GLN A 19 -5.115 -4.967 -4.812 1.00 61.24 H new ATOM 0 HB3 GLN A 19 -5.544 -5.962 -6.189 1.00 61.24 H new ATOM 0 HG2 GLN A 19 -4.654 -4.300 -7.739 1.00 33.52 H new ATOM 0 HG3 GLN A 19 -4.360 -3.175 -6.427 1.00 33.52 H new ATOM 0 HE21 GLN A 19 -3.690 -6.699 -6.158 1.00 32.42 H new ATOM 0 HE22 GLN A 19 -1.931 -6.537 -6.129 1.00 32.42 H new ATOM 296 N GLU A 20 -8.140 -5.313 -7.701 1.00 12.21 N ATOM 297 CA GLU A 20 -8.909 -5.328 -8.960 1.00 24.41 C ATOM 298 C GLU A 20 -10.084 -4.337 -8.866 1.00 25.35 C ATOM 299 O GLU A 20 -10.408 -3.671 -9.848 1.00 2.34 O ATOM 300 CB GLU A 20 -9.424 -6.755 -9.309 1.00 44.10 C ATOM 301 CG GLU A 20 -8.335 -7.742 -9.779 1.00 43.11 C ATOM 302 CD GLU A 20 -7.592 -7.284 -11.049 1.00 34.22 C ATOM 303 OE1 GLU A 20 -8.209 -7.283 -12.139 1.00 35.24 O ATOM 304 OE2 GLU A 20 -6.396 -6.910 -10.964 1.00 45.12 O ATOM 0 H GLU A 20 -8.198 -6.180 -7.167 1.00 12.21 H new ATOM 0 HA GLU A 20 -8.241 -5.021 -9.765 1.00 24.41 H new ATOM 0 HB2 GLU A 20 -9.917 -7.172 -8.431 1.00 44.10 H new ATOM 0 HB3 GLU A 20 -10.180 -6.672 -10.090 1.00 44.10 H new ATOM 0 HG2 GLU A 20 -7.612 -7.881 -8.976 1.00 43.11 H new ATOM 0 HG3 GLU A 20 -8.793 -8.713 -9.967 1.00 43.11 H new ATOM 311 N ARG A 21 -10.707 -4.240 -7.669 1.00 5.43 N ATOM 312 CA ARG A 21 -11.781 -3.261 -7.412 1.00 53.35 C ATOM 313 C ARG A 21 -11.204 -1.833 -7.377 1.00 42.01 C ATOM 314 O ARG A 21 -11.813 -0.911 -7.899 1.00 24.21 O ATOM 315 CB ARG A 21 -12.542 -3.564 -6.081 1.00 22.33 C ATOM 316 CG ARG A 21 -13.279 -4.928 -6.005 1.00 52.03 C ATOM 317 CD ARG A 21 -14.340 -5.153 -7.107 1.00 44.04 C ATOM 318 NE ARG A 21 -13.750 -5.370 -8.442 1.00 51.50 N ATOM 319 CZ ARG A 21 -13.301 -6.544 -8.920 1.00 44.10 C ATOM 320 NH1 ARG A 21 -13.373 -7.660 -8.201 1.00 50.44 N ATOM 321 NH2 ARG A 21 -12.765 -6.589 -10.128 1.00 12.11 N ATOM 0 H ARG A 21 -10.482 -4.829 -6.868 1.00 5.43 H new ATOM 0 HA ARG A 21 -12.499 -3.342 -8.228 1.00 53.35 H new ATOM 0 HB2 ARG A 21 -11.827 -3.515 -5.260 1.00 22.33 H new ATOM 0 HB3 ARG A 21 -13.272 -2.771 -5.916 1.00 22.33 H new ATOM 0 HG2 ARG A 21 -12.541 -5.728 -6.062 1.00 52.03 H new ATOM 0 HG3 ARG A 21 -13.763 -5.010 -5.032 1.00 52.03 H new ATOM 0 HD2 ARG A 21 -14.953 -6.015 -6.843 1.00 44.04 H new ATOM 0 HD3 ARG A 21 -15.004 -4.289 -7.146 1.00 44.04 H new ATOM 0 HE ARG A 21 -13.676 -4.559 -9.056 1.00 51.50 H new ATOM 0 HH11 ARG A 21 -13.776 -7.638 -7.264 1.00 50.44 H new ATOM 0 HH12 ARG A 21 -13.025 -8.538 -8.586 1.00 50.44 H new ATOM 0 HH21 ARG A 21 -12.695 -5.739 -10.687 1.00 12.11 H new ATOM 0 HH22 ARG A 21 -12.421 -7.474 -10.501 1.00 12.11 H new ATOM 335 N ALA A 22 -9.998 -1.690 -6.797 1.00 42.03 N ATOM 336 CA ALA A 22 -9.383 -0.381 -6.526 1.00 73.41 C ATOM 337 C ALA A 22 -8.918 0.286 -7.828 1.00 13.52 C ATOM 338 O ALA A 22 -9.420 1.338 -8.199 1.00 1.32 O ATOM 339 CB ALA A 22 -8.220 -0.525 -5.526 1.00 11.45 C ATOM 0 H ALA A 22 -9.424 -2.480 -6.504 1.00 42.03 H new ATOM 0 HA ALA A 22 -10.136 0.265 -6.075 1.00 73.41 H new ATOM 0 HB1 ALA A 22 -7.778 0.454 -5.338 1.00 11.45 H new ATOM 0 HB2 ALA A 22 -8.594 -0.940 -4.590 1.00 11.45 H new ATOM 0 HB3 ALA A 22 -7.464 -1.191 -5.941 1.00 11.45 H new ATOM 345 N LYS A 23 -8.000 -0.368 -8.548 1.00 50.11 N ATOM 346 CA LYS A 23 -7.397 0.197 -9.776 1.00 44.33 C ATOM 347 C LYS A 23 -8.450 0.434 -10.884 1.00 62.33 C ATOM 348 O LYS A 23 -8.303 1.352 -11.703 1.00 5.33 O ATOM 349 CB LYS A 23 -6.251 -0.727 -10.269 1.00 45.31 C ATOM 350 CG LYS A 23 -5.031 -0.776 -9.312 1.00 54.42 C ATOM 351 CD LYS A 23 -3.952 -1.786 -9.764 1.00 63.43 C ATOM 352 CE LYS A 23 -2.669 -1.729 -8.918 1.00 1.42 C ATOM 353 NZ LYS A 23 -1.692 -2.780 -9.323 1.00 23.13 N ATOM 0 H LYS A 23 -7.652 -1.295 -8.305 1.00 50.11 H new ATOM 0 HA LYS A 23 -6.981 1.175 -9.534 1.00 44.33 H new ATOM 0 HB2 LYS A 23 -6.641 -1.737 -10.398 1.00 45.31 H new ATOM 0 HB3 LYS A 23 -5.918 -0.386 -11.250 1.00 45.31 H new ATOM 0 HG2 LYS A 23 -4.587 0.217 -9.246 1.00 54.42 H new ATOM 0 HG3 LYS A 23 -5.371 -1.040 -8.311 1.00 54.42 H new ATOM 0 HD2 LYS A 23 -4.365 -2.793 -9.716 1.00 63.43 H new ATOM 0 HD3 LYS A 23 -3.699 -1.594 -10.807 1.00 63.43 H new ATOM 0 HE2 LYS A 23 -2.209 -0.746 -9.021 1.00 1.42 H new ATOM 0 HE3 LYS A 23 -2.922 -1.854 -7.865 1.00 1.42 H new ATOM 0 HZ1 LYS A 23 -0.919 -2.822 -8.628 1.00 23.13 H new ATOM 0 HZ2 LYS A 23 -2.171 -3.702 -9.364 1.00 23.13 H new ATOM 0 HZ3 LYS A 23 -1.303 -2.550 -10.260 1.00 23.13 H new ATOM 367 N HIS A 24 -9.522 -0.386 -10.883 1.00 74.05 N ATOM 368 CA HIS A 24 -10.638 -0.257 -11.844 1.00 14.30 C ATOM 369 C HIS A 24 -11.553 0.932 -11.458 1.00 44.43 C ATOM 370 O HIS A 24 -11.881 1.769 -12.305 1.00 53.41 O ATOM 371 CB HIS A 24 -11.445 -1.587 -11.898 1.00 75.42 C ATOM 372 CG HIS A 24 -12.528 -1.657 -12.955 1.00 61.42 C ATOM 373 ND1 HIS A 24 -12.388 -2.350 -14.143 1.00 60.23 N ATOM 374 CD2 HIS A 24 -13.787 -1.154 -12.975 1.00 13.32 C ATOM 375 CE1 HIS A 24 -13.508 -2.261 -14.840 1.00 11.22 C ATOM 376 NE2 HIS A 24 -14.368 -1.544 -14.152 1.00 11.55 N ATOM 0 H HIS A 24 -9.638 -1.152 -10.220 1.00 74.05 H new ATOM 0 HA HIS A 24 -10.232 -0.057 -12.836 1.00 14.30 H new ATOM 0 HB2 HIS A 24 -10.747 -2.407 -12.065 1.00 75.42 H new ATOM 0 HB3 HIS A 24 -11.904 -1.752 -10.923 1.00 75.42 H new ATOM 0 HD2 HIS A 24 -14.248 -0.555 -12.203 1.00 13.32 H new ATOM 0 HE1 HIS A 24 -13.686 -2.702 -15.810 1.00 11.22 H new ATOM 0 HE2 HIS A 24 -15.317 -1.315 -14.448 1.00 11.55 H new ATOM 385 N ASN A 25 -11.946 0.998 -10.167 1.00 12.44 N ATOM 386 CA ASN A 25 -12.918 2.013 -9.661 1.00 74.44 C ATOM 387 C ASN A 25 -12.251 3.395 -9.486 1.00 72.31 C ATOM 388 O ASN A 25 -12.936 4.424 -9.447 1.00 23.13 O ATOM 389 CB ASN A 25 -13.543 1.537 -8.316 1.00 3.52 C ATOM 390 CG ASN A 25 -14.776 2.346 -7.883 1.00 1.51 C ATOM 391 OD1 ASN A 25 -15.906 2.018 -8.246 1.00 73.32 O ATOM 392 ND2 ASN A 25 -14.570 3.403 -7.112 1.00 41.23 N ATOM 0 H ASN A 25 -11.607 0.360 -9.447 1.00 12.44 H new ATOM 0 HA ASN A 25 -13.710 2.118 -10.403 1.00 74.44 H new ATOM 0 HB2 ASN A 25 -13.823 0.488 -8.408 1.00 3.52 H new ATOM 0 HB3 ASN A 25 -12.787 1.598 -7.533 1.00 3.52 H new ATOM 0 HD21 ASN A 25 -15.359 3.970 -6.803 1.00 41.23 H new ATOM 0 HD22 ASN A 25 -13.622 3.650 -6.828 1.00 41.23 H new ATOM 399 N TYR A 26 -10.908 3.406 -9.386 1.00 52.24 N ATOM 400 CA TYR A 26 -10.100 4.641 -9.308 1.00 10.24 C ATOM 401 C TYR A 26 -9.077 4.617 -10.477 1.00 61.44 C ATOM 402 O TYR A 26 -7.890 4.338 -10.262 1.00 63.01 O ATOM 403 CB TYR A 26 -9.379 4.787 -7.913 1.00 10.12 C ATOM 404 CG TYR A 26 -10.272 4.448 -6.701 1.00 24.14 C ATOM 405 CD1 TYR A 26 -11.207 5.351 -6.192 1.00 73.13 C ATOM 406 CD2 TYR A 26 -10.203 3.195 -6.092 1.00 34.44 C ATOM 407 CE1 TYR A 26 -12.032 4.996 -5.134 1.00 12.52 C ATOM 408 CE2 TYR A 26 -11.012 2.847 -5.041 1.00 42.43 C ATOM 409 CZ TYR A 26 -11.927 3.740 -4.568 1.00 5.42 C ATOM 410 OH TYR A 26 -12.758 3.370 -3.533 1.00 15.53 O ATOM 0 H TYR A 26 -10.349 2.554 -9.357 1.00 52.24 H new ATOM 0 HA TYR A 26 -10.752 5.510 -9.399 1.00 10.24 H new ATOM 0 HB2 TYR A 26 -8.504 4.137 -7.899 1.00 10.12 H new ATOM 0 HB3 TYR A 26 -9.017 5.810 -7.809 1.00 10.12 H new ATOM 0 HD1 TYR A 26 -11.289 6.336 -6.626 1.00 73.13 H new ATOM 0 HD2 TYR A 26 -9.488 2.474 -6.461 1.00 34.44 H new ATOM 0 HE1 TYR A 26 -12.756 5.701 -4.753 1.00 12.52 H new ATOM 0 HE2 TYR A 26 -10.925 1.870 -4.590 1.00 42.43 H new ATOM 0 HH TYR A 26 -12.548 2.454 -3.256 1.00 15.53 H new ATOM 420 N PRO A 27 -9.537 4.867 -11.758 1.00 70.13 N ATOM 421 CA PRO A 27 -8.653 4.804 -12.955 1.00 63.35 C ATOM 422 C PRO A 27 -7.745 6.047 -13.082 1.00 21.15 C ATOM 423 O PRO A 27 -6.798 6.059 -13.877 1.00 3.42 O ATOM 424 CB PRO A 27 -9.670 4.706 -14.114 1.00 62.42 C ATOM 425 CG PRO A 27 -10.854 5.487 -13.637 1.00 45.42 C ATOM 426 CD PRO A 27 -10.938 5.226 -12.144 1.00 52.30 C ATOM 0 HA PRO A 27 -7.949 3.973 -12.925 1.00 63.35 H new ATOM 0 HB2 PRO A 27 -9.264 5.123 -15.035 1.00 62.42 H new ATOM 0 HB3 PRO A 27 -9.936 3.670 -14.323 1.00 62.42 H new ATOM 0 HG2 PRO A 27 -10.732 6.550 -13.843 1.00 45.42 H new ATOM 0 HG3 PRO A 27 -11.765 5.167 -14.143 1.00 45.42 H new ATOM 0 HD2 PRO A 27 -11.287 6.106 -11.604 1.00 52.30 H new ATOM 0 HD3 PRO A 27 -11.633 4.417 -11.919 1.00 52.30 H new ATOM 434 N GLY A 28 -8.056 7.084 -12.282 1.00 61.40 N ATOM 435 CA GLY A 28 -7.266 8.309 -12.213 1.00 54.22 C ATOM 436 C GLY A 28 -6.391 8.356 -10.976 1.00 74.11 C ATOM 437 O GLY A 28 -6.005 9.441 -10.526 1.00 33.50 O ATOM 0 H GLY A 28 -8.869 7.087 -11.665 1.00 61.40 H new ATOM 0 HA2 GLY A 28 -6.640 8.386 -13.102 1.00 54.22 H new ATOM 0 HA3 GLY A 28 -7.933 9.171 -12.217 1.00 54.22 H new ATOM 441 N ARG A 29 -6.082 7.178 -10.408 1.00 12.11 N ATOM 442 CA ARG A 29 -5.172 7.060 -9.266 1.00 53.22 C ATOM 443 C ARG A 29 -4.091 6.024 -9.579 1.00 62.35 C ATOM 444 O ARG A 29 -4.397 4.898 -10.004 1.00 25.31 O ATOM 445 CB ARG A 29 -5.936 6.651 -7.972 1.00 41.43 C ATOM 446 CG ARG A 29 -5.101 6.730 -6.665 1.00 3.14 C ATOM 447 CD ARG A 29 -4.771 8.174 -6.225 1.00 63.13 C ATOM 448 NE ARG A 29 -3.762 8.845 -7.072 1.00 1.43 N ATOM 449 CZ ARG A 29 -3.718 10.170 -7.325 1.00 72.12 C ATOM 450 NH1 ARG A 29 -4.624 11.002 -6.800 1.00 72.11 N ATOM 451 NH2 ARG A 29 -2.775 10.663 -8.125 1.00 1.41 N ATOM 0 H ARG A 29 -6.457 6.286 -10.730 1.00 12.11 H new ATOM 0 HA ARG A 29 -4.713 8.033 -9.092 1.00 53.22 H new ATOM 0 HB2 ARG A 29 -6.811 7.293 -7.866 1.00 41.43 H new ATOM 0 HB3 ARG A 29 -6.302 5.631 -8.091 1.00 41.43 H new ATOM 0 HG2 ARG A 29 -5.648 6.232 -5.864 1.00 3.14 H new ATOM 0 HG3 ARG A 29 -4.170 6.181 -6.805 1.00 3.14 H new ATOM 0 HD2 ARG A 29 -5.688 8.764 -6.233 1.00 63.13 H new ATOM 0 HD3 ARG A 29 -4.413 8.156 -5.196 1.00 63.13 H new ATOM 0 HE ARG A 29 -3.043 8.261 -7.499 1.00 1.43 H new ATOM 0 HH11 ARG A 29 -5.363 10.638 -6.198 1.00 72.11 H new ATOM 0 HH12 ARG A 29 -4.576 12.001 -7.001 1.00 72.11 H new ATOM 0 HH21 ARG A 29 -2.086 10.039 -8.546 1.00 1.41 H new ATOM 0 HH22 ARG A 29 -2.741 11.664 -8.317 1.00 1.41 H new ATOM 465 N GLU A 30 -2.831 6.427 -9.384 1.00 54.24 N ATOM 466 CA GLU A 30 -1.687 5.520 -9.385 1.00 44.35 C ATOM 467 C GLU A 30 -1.766 4.676 -8.107 1.00 44.44 C ATOM 468 O GLU A 30 -1.845 5.226 -7.003 1.00 24.42 O ATOM 469 CB GLU A 30 -0.339 6.305 -9.436 1.00 31.12 C ATOM 470 CG GLU A 30 -0.085 7.113 -10.732 1.00 23.13 C ATOM 471 CD GLU A 30 -1.040 8.305 -10.934 1.00 11.20 C ATOM 472 OE1 GLU A 30 -1.259 9.068 -9.964 1.00 42.12 O ATOM 473 OE2 GLU A 30 -1.584 8.478 -12.048 1.00 73.03 O ATOM 0 H GLU A 30 -2.578 7.401 -9.220 1.00 54.24 H new ATOM 0 HA GLU A 30 -1.719 4.886 -10.271 1.00 44.35 H new ATOM 0 HB2 GLU A 30 -0.306 6.991 -8.589 1.00 31.12 H new ATOM 0 HB3 GLU A 30 0.479 5.596 -9.305 1.00 31.12 H new ATOM 0 HG2 GLU A 30 0.941 7.482 -10.721 1.00 23.13 H new ATOM 0 HG3 GLU A 30 -0.173 6.443 -11.587 1.00 23.13 H new ATOM 480 N ILE A 31 -1.824 3.358 -8.262 1.00 30.41 N ATOM 481 CA ILE A 31 -1.803 2.415 -7.141 1.00 4.13 C ATOM 482 C ILE A 31 -0.643 1.440 -7.379 1.00 1.04 C ATOM 483 O ILE A 31 -0.526 0.865 -8.466 1.00 5.22 O ATOM 484 CB ILE A 31 -3.180 1.658 -6.987 1.00 64.52 C ATOM 485 CG1 ILE A 31 -4.340 2.674 -6.699 1.00 54.31 C ATOM 486 CG2 ILE A 31 -3.100 0.581 -5.883 1.00 63.42 C ATOM 487 CD1 ILE A 31 -5.731 2.068 -6.593 1.00 54.03 C ATOM 0 H ILE A 31 -1.887 2.907 -9.175 1.00 30.41 H new ATOM 0 HA ILE A 31 -1.655 2.952 -6.204 1.00 4.13 H new ATOM 0 HB ILE A 31 -3.397 1.153 -7.928 1.00 64.52 H new ATOM 0 HG12 ILE A 31 -4.119 3.197 -5.768 1.00 54.31 H new ATOM 0 HG13 ILE A 31 -4.348 3.423 -7.491 1.00 54.31 H new ATOM 0 HG21 ILE A 31 -4.062 0.075 -5.798 1.00 63.42 H new ATOM 0 HG22 ILE A 31 -2.329 -0.146 -6.139 1.00 63.42 H new ATOM 0 HG23 ILE A 31 -2.853 1.053 -4.932 1.00 63.42 H new ATOM 0 HD11 ILE A 31 -6.457 2.856 -6.393 1.00 54.03 H new ATOM 0 HD12 ILE A 31 -5.984 1.571 -7.530 1.00 54.03 H new ATOM 0 HD13 ILE A 31 -5.751 1.342 -5.780 1.00 54.03 H new ATOM 499 N ARG A 32 0.201 1.265 -6.358 1.00 72.01 N ATOM 500 CA ARG A 32 1.442 0.487 -6.444 1.00 10.32 C ATOM 501 C ARG A 32 1.222 -0.922 -5.871 1.00 4.24 C ATOM 502 O ARG A 32 0.241 -1.177 -5.159 1.00 75.43 O ATOM 503 CB ARG A 32 2.560 1.219 -5.648 1.00 74.44 C ATOM 504 CG ARG A 32 2.958 2.615 -6.188 1.00 73.42 C ATOM 505 CD ARG A 32 3.589 2.570 -7.595 1.00 52.11 C ATOM 506 NE ARG A 32 4.049 3.900 -8.043 1.00 55.50 N ATOM 507 CZ ARG A 32 4.033 4.349 -9.313 1.00 64.33 C ATOM 508 NH1 ARG A 32 3.576 3.588 -10.313 1.00 24.02 N ATOM 509 NH2 ARG A 32 4.510 5.557 -9.582 1.00 20.21 N ATOM 0 H ARG A 32 0.039 1.666 -5.434 1.00 72.01 H new ATOM 0 HA ARG A 32 1.741 0.394 -7.488 1.00 10.32 H new ATOM 0 HB2 ARG A 32 2.233 1.328 -4.614 1.00 74.44 H new ATOM 0 HB3 ARG A 32 3.448 0.586 -5.637 1.00 74.44 H new ATOM 0 HG2 ARG A 32 2.074 3.252 -6.215 1.00 73.42 H new ATOM 0 HG3 ARG A 32 3.663 3.077 -5.496 1.00 73.42 H new ATOM 0 HD2 ARG A 32 4.431 1.878 -7.592 1.00 52.11 H new ATOM 0 HD3 ARG A 32 2.860 2.181 -8.306 1.00 52.11 H new ATOM 0 HE ARG A 32 4.410 4.533 -7.329 1.00 55.50 H new ATOM 0 HH11 ARG A 32 3.230 2.648 -10.121 1.00 24.02 H new ATOM 0 HH12 ARG A 32 3.573 3.948 -11.267 1.00 24.02 H new ATOM 0 HH21 ARG A 32 4.884 6.136 -8.831 1.00 20.21 H new ATOM 0 HH22 ARG A 32 4.503 5.906 -10.540 1.00 20.21 H new ATOM 523 N THR A 33 2.146 -1.827 -6.213 1.00 33.32 N ATOM 524 CA THR A 33 2.095 -3.246 -5.830 1.00 32.11 C ATOM 525 C THR A 33 3.513 -3.688 -5.431 1.00 65.32 C ATOM 526 O THR A 33 4.493 -3.279 -6.069 1.00 52.02 O ATOM 527 CB THR A 33 1.569 -4.123 -7.028 1.00 12.52 C ATOM 528 OG1 THR A 33 0.450 -3.470 -7.649 1.00 52.12 O ATOM 529 CG2 THR A 33 1.131 -5.527 -6.576 1.00 22.41 C ATOM 0 H THR A 33 2.965 -1.592 -6.773 1.00 33.32 H new ATOM 0 HA THR A 33 1.410 -3.379 -4.992 1.00 32.11 H new ATOM 0 HB THR A 33 2.394 -4.235 -7.732 1.00 12.52 H new ATOM 0 HG1 THR A 33 -0.368 -3.680 -7.153 1.00 52.12 H new ATOM 0 HG21 THR A 33 0.777 -6.093 -7.438 1.00 22.41 H new ATOM 0 HG22 THR A 33 1.978 -6.045 -6.125 1.00 22.41 H new ATOM 0 HG23 THR A 33 0.328 -5.440 -5.844 1.00 22.41 H new ATOM 537 N ALA A 34 3.624 -4.515 -4.382 1.00 60.01 N ATOM 538 CA ALA A 34 4.917 -4.965 -3.852 1.00 45.40 C ATOM 539 C ALA A 34 4.866 -6.447 -3.474 1.00 22.42 C ATOM 540 O ALA A 34 3.878 -6.913 -2.917 1.00 45.12 O ATOM 541 CB ALA A 34 5.321 -4.099 -2.648 1.00 23.43 C ATOM 0 H ALA A 34 2.820 -4.890 -3.878 1.00 60.01 H new ATOM 0 HA ALA A 34 5.673 -4.851 -4.629 1.00 45.40 H new ATOM 0 HB1 ALA A 34 6.281 -4.440 -2.261 1.00 23.43 H new ATOM 0 HB2 ALA A 34 5.404 -3.058 -2.960 1.00 23.43 H new ATOM 0 HB3 ALA A 34 4.564 -4.185 -1.868 1.00 23.43 H new ATOM 547 N THR A 35 5.936 -7.178 -3.803 1.00 14.20 N ATOM 548 CA THR A 35 6.111 -8.595 -3.431 1.00 43.12 C ATOM 549 C THR A 35 7.504 -8.759 -2.804 1.00 52.14 C ATOM 550 O THR A 35 7.658 -9.325 -1.719 1.00 14.44 O ATOM 551 CB THR A 35 5.963 -9.527 -4.684 1.00 54.44 C ATOM 552 OG1 THR A 35 4.694 -9.280 -5.313 1.00 35.00 O ATOM 553 CG2 THR A 35 6.084 -11.031 -4.345 1.00 33.24 C ATOM 0 H THR A 35 6.717 -6.803 -4.341 1.00 14.20 H new ATOM 0 HA THR A 35 5.340 -8.883 -2.717 1.00 43.12 H new ATOM 0 HB THR A 35 6.786 -9.287 -5.357 1.00 54.44 H new ATOM 0 HG1 THR A 35 4.599 -9.860 -6.097 1.00 35.00 H new ATOM 0 HG21 THR A 35 5.972 -11.619 -5.256 1.00 33.24 H new ATOM 0 HG22 THR A 35 7.061 -11.227 -3.904 1.00 33.24 H new ATOM 0 HG23 THR A 35 5.304 -11.308 -3.636 1.00 33.24 H new ATOM 561 N SER A 36 8.511 -8.224 -3.511 1.00 74.13 N ATOM 562 CA SER A 36 9.919 -8.249 -3.084 1.00 64.41 C ATOM 563 C SER A 36 10.316 -6.891 -2.465 1.00 4.53 C ATOM 564 O SER A 36 9.595 -5.890 -2.619 1.00 22.50 O ATOM 565 CB SER A 36 10.809 -8.569 -4.311 1.00 24.11 C ATOM 566 OG SER A 36 12.179 -8.685 -3.962 1.00 35.22 O ATOM 0 H SER A 36 8.369 -7.756 -4.406 1.00 74.13 H new ATOM 0 HA SER A 36 10.059 -9.018 -2.324 1.00 64.41 H new ATOM 0 HB2 SER A 36 10.472 -9.499 -4.770 1.00 24.11 H new ATOM 0 HB3 SER A 36 10.691 -7.784 -5.058 1.00 24.11 H new ATOM 0 HG SER A 36 12.705 -8.889 -4.764 1.00 35.22 H new ATOM 572 N SER A 37 11.484 -6.870 -1.792 1.00 71.42 N ATOM 573 CA SER A 37 12.045 -5.658 -1.164 1.00 21.33 C ATOM 574 C SER A 37 12.541 -4.647 -2.220 1.00 3.05 C ATOM 575 O SER A 37 12.764 -3.467 -1.899 1.00 40.33 O ATOM 576 CB SER A 37 13.179 -6.046 -0.188 1.00 74.25 C ATOM 577 OG SER A 37 14.158 -6.843 -0.838 1.00 14.30 O ATOM 0 H SER A 37 12.067 -7.698 -1.669 1.00 71.42 H new ATOM 0 HA SER A 37 11.251 -5.167 -0.601 1.00 21.33 H new ATOM 0 HB2 SER A 37 13.645 -5.145 0.211 1.00 74.25 H new ATOM 0 HB3 SER A 37 12.764 -6.592 0.659 1.00 74.25 H new ATOM 0 HG SER A 37 14.866 -7.075 -0.202 1.00 14.30 H new ATOM 583 N GLN A 38 12.736 -5.133 -3.473 1.00 51.52 N ATOM 584 CA GLN A 38 12.978 -4.278 -4.649 1.00 71.43 C ATOM 585 C GLN A 38 11.804 -3.307 -4.818 1.00 51.53 C ATOM 586 O GLN A 38 12.000 -2.093 -4.851 1.00 2.22 O ATOM 587 CB GLN A 38 13.165 -5.140 -5.938 1.00 1.03 C ATOM 588 CG GLN A 38 13.247 -4.344 -7.269 1.00 55.21 C ATOM 589 CD GLN A 38 14.400 -3.327 -7.338 1.00 64.33 C ATOM 590 OE1 GLN A 38 15.514 -3.656 -7.750 1.00 42.53 O ATOM 591 NE2 GLN A 38 14.138 -2.077 -6.961 1.00 21.05 N ATOM 0 H GLN A 38 12.729 -6.130 -3.689 1.00 51.52 H new ATOM 0 HA GLN A 38 13.897 -3.713 -4.493 1.00 71.43 H new ATOM 0 HB2 GLN A 38 14.076 -5.729 -5.831 1.00 1.03 H new ATOM 0 HB3 GLN A 38 12.336 -5.844 -6.007 1.00 1.03 H new ATOM 0 HG2 GLN A 38 13.353 -5.050 -8.093 1.00 55.21 H new ATOM 0 HG3 GLN A 38 12.305 -3.816 -7.420 1.00 55.21 H new ATOM 0 HE21 GLN A 38 13.208 -1.830 -6.624 1.00 21.05 H new ATOM 0 HE22 GLN A 38 14.868 -1.366 -7.010 1.00 21.05 H new ATOM 600 N ASP A 39 10.589 -3.881 -4.881 1.00 74.13 N ATOM 601 CA ASP A 39 9.337 -3.125 -5.048 1.00 34.24 C ATOM 602 C ASP A 39 9.141 -2.139 -3.880 1.00 41.21 C ATOM 603 O ASP A 39 8.866 -0.967 -4.093 1.00 25.41 O ATOM 604 CB ASP A 39 8.132 -4.093 -5.110 1.00 43.55 C ATOM 605 CG ASP A 39 8.249 -5.164 -6.203 1.00 34.22 C ATOM 606 OD1 ASP A 39 7.912 -4.877 -7.375 1.00 1.11 O ATOM 607 OD2 ASP A 39 8.665 -6.300 -5.889 1.00 61.13 O ATOM 0 H ASP A 39 10.449 -4.889 -4.817 1.00 74.13 H new ATOM 0 HA ASP A 39 9.399 -2.565 -5.981 1.00 34.24 H new ATOM 0 HB2 ASP A 39 8.024 -4.585 -4.143 1.00 43.55 H new ATOM 0 HB3 ASP A 39 7.223 -3.515 -5.277 1.00 43.55 H new ATOM 612 N ILE A 40 9.335 -2.669 -2.657 1.00 40.51 N ATOM 613 CA ILE A 40 9.201 -1.943 -1.377 1.00 31.22 C ATOM 614 C ILE A 40 9.926 -0.575 -1.397 1.00 11.01 C ATOM 615 O ILE A 40 9.306 0.466 -1.139 1.00 13.43 O ATOM 616 CB ILE A 40 9.744 -2.867 -0.211 1.00 3.40 C ATOM 617 CG1 ILE A 40 8.750 -4.041 0.079 1.00 21.12 C ATOM 618 CG2 ILE A 40 10.095 -2.093 1.077 1.00 74.43 C ATOM 619 CD1 ILE A 40 7.377 -3.631 0.604 1.00 43.12 C ATOM 0 H ILE A 40 9.598 -3.646 -2.527 1.00 40.51 H new ATOM 0 HA ILE A 40 8.147 -1.720 -1.210 1.00 31.22 H new ATOM 0 HB ILE A 40 10.685 -3.287 -0.567 1.00 3.40 H new ATOM 0 HG12 ILE A 40 8.612 -4.611 -0.840 1.00 21.12 H new ATOM 0 HG13 ILE A 40 9.211 -4.712 0.804 1.00 21.12 H new ATOM 0 HG21 ILE A 40 10.460 -2.789 1.832 1.00 74.43 H new ATOM 0 HG22 ILE A 40 10.868 -1.356 0.859 1.00 74.43 H new ATOM 0 HG23 ILE A 40 9.205 -1.586 1.451 1.00 74.43 H new ATOM 0 HD11 ILE A 40 6.770 -4.521 0.770 1.00 43.12 H new ATOM 0 HD12 ILE A 40 7.493 -3.090 1.543 1.00 43.12 H new ATOM 0 HD13 ILE A 40 6.885 -2.988 -0.126 1.00 43.12 H new ATOM 631 N ARG A 41 11.227 -0.587 -1.740 1.00 51.35 N ATOM 632 CA ARG A 41 12.051 0.637 -1.768 1.00 51.15 C ATOM 633 C ARG A 41 11.757 1.474 -3.034 1.00 11.31 C ATOM 634 O ARG A 41 11.702 2.703 -2.959 1.00 12.44 O ATOM 635 CB ARG A 41 13.566 0.291 -1.667 1.00 1.24 C ATOM 636 CG ARG A 41 13.949 -0.492 -0.387 1.00 2.41 C ATOM 637 CD ARG A 41 15.475 -0.599 -0.168 1.00 55.24 C ATOM 638 NE ARG A 41 16.179 -1.314 -1.253 1.00 52.13 N ATOM 639 CZ ARG A 41 17.501 -1.595 -1.274 1.00 23.11 C ATOM 640 NH1 ARG A 41 18.319 -1.236 -0.275 1.00 24.41 N ATOM 641 NH2 ARG A 41 18.004 -2.244 -2.317 1.00 1.22 N ATOM 0 H ARG A 41 11.732 -1.433 -2.003 1.00 51.35 H new ATOM 0 HA ARG A 41 11.786 1.240 -0.899 1.00 51.15 H new ATOM 0 HB2 ARG A 41 13.853 -0.296 -2.539 1.00 1.24 H new ATOM 0 HB3 ARG A 41 14.142 1.215 -1.701 1.00 1.24 H new ATOM 0 HG2 ARG A 41 13.499 -0.004 0.477 1.00 2.41 H new ATOM 0 HG3 ARG A 41 13.526 -1.495 -0.443 1.00 2.41 H new ATOM 0 HD2 ARG A 41 15.892 0.404 -0.075 1.00 55.24 H new ATOM 0 HD3 ARG A 41 15.663 -1.111 0.776 1.00 55.24 H new ATOM 0 HE ARG A 41 15.622 -1.620 -2.051 1.00 52.13 H new ATOM 0 HH11 ARG A 41 17.948 -0.735 0.533 1.00 24.41 H new ATOM 0 HH12 ARG A 41 19.312 -1.464 -0.322 1.00 24.41 H new ATOM 0 HH21 ARG A 41 17.395 -2.523 -3.086 1.00 1.22 H new ATOM 0 HH22 ARG A 41 18.999 -2.464 -2.349 1.00 1.22 H new ATOM 655 N ASP A 42 11.523 0.784 -4.176 1.00 73.44 N ATOM 656 CA ASP A 42 11.265 1.417 -5.503 1.00 0.41 C ATOM 657 C ASP A 42 10.055 2.378 -5.445 1.00 44.23 C ATOM 658 O ASP A 42 10.079 3.473 -6.026 1.00 53.22 O ATOM 659 CB ASP A 42 11.014 0.319 -6.582 1.00 61.10 C ATOM 660 CG ASP A 42 10.766 0.878 -8.001 1.00 45.41 C ATOM 661 OD1 ASP A 42 9.599 1.209 -8.340 1.00 62.13 O ATOM 662 OD2 ASP A 42 11.736 0.980 -8.792 1.00 51.03 O ATOM 0 H ASP A 42 11.507 -0.235 -4.208 1.00 73.44 H new ATOM 0 HA ASP A 42 12.148 1.997 -5.772 1.00 0.41 H new ATOM 0 HB2 ASP A 42 11.874 -0.350 -6.611 1.00 61.10 H new ATOM 0 HB3 ASP A 42 10.154 -0.280 -6.283 1.00 61.10 H new ATOM 667 N ILE A 43 9.009 1.931 -4.727 1.00 75.45 N ATOM 668 CA ILE A 43 7.776 2.705 -4.496 1.00 34.42 C ATOM 669 C ILE A 43 8.092 4.023 -3.759 1.00 72.21 C ATOM 670 O ILE A 43 7.588 5.076 -4.125 1.00 44.51 O ATOM 671 CB ILE A 43 6.729 1.856 -3.671 1.00 11.14 C ATOM 672 CG1 ILE A 43 6.233 0.625 -4.504 1.00 21.34 C ATOM 673 CG2 ILE A 43 5.537 2.727 -3.199 1.00 24.14 C ATOM 674 CD1 ILE A 43 5.455 -0.414 -3.713 1.00 44.12 C ATOM 0 H ILE A 43 8.996 1.011 -4.286 1.00 75.45 H new ATOM 0 HA ILE A 43 7.340 2.944 -5.466 1.00 34.42 H new ATOM 0 HB ILE A 43 7.233 1.483 -2.779 1.00 11.14 H new ATOM 0 HG12 ILE A 43 5.604 0.986 -5.318 1.00 21.34 H new ATOM 0 HG13 ILE A 43 7.097 0.141 -4.959 1.00 21.34 H new ATOM 0 HG21 ILE A 43 4.837 2.111 -2.635 1.00 24.14 H new ATOM 0 HG22 ILE A 43 5.904 3.533 -2.564 1.00 24.14 H new ATOM 0 HG23 ILE A 43 5.030 3.151 -4.066 1.00 24.14 H new ATOM 0 HD11 ILE A 43 5.155 -1.226 -4.375 1.00 44.12 H new ATOM 0 HD12 ILE A 43 6.084 -0.810 -2.915 1.00 44.12 H new ATOM 0 HD13 ILE A 43 4.568 0.048 -3.280 1.00 44.12 H new ATOM 686 N ILE A 44 8.958 3.937 -2.738 1.00 22.25 N ATOM 687 CA ILE A 44 9.345 5.085 -1.891 1.00 11.22 C ATOM 688 C ILE A 44 10.232 6.076 -2.680 1.00 14.22 C ATOM 689 O ILE A 44 10.148 7.287 -2.466 1.00 3.43 O ATOM 690 CB ILE A 44 10.056 4.569 -0.588 1.00 24.52 C ATOM 691 CG1 ILE A 44 9.096 3.590 0.168 1.00 61.15 C ATOM 692 CG2 ILE A 44 10.508 5.733 0.331 1.00 2.01 C ATOM 693 CD1 ILE A 44 9.739 2.819 1.292 1.00 62.25 C ATOM 0 H ILE A 44 9.415 3.065 -2.472 1.00 22.25 H new ATOM 0 HA ILE A 44 8.449 5.629 -1.593 1.00 11.22 H new ATOM 0 HB ILE A 44 10.963 4.037 -0.877 1.00 24.52 H new ATOM 0 HG12 ILE A 44 8.259 4.162 0.570 1.00 61.15 H new ATOM 0 HG13 ILE A 44 8.683 2.882 -0.550 1.00 61.15 H new ATOM 0 HG21 ILE A 44 10.994 5.328 1.219 1.00 2.01 H new ATOM 0 HG22 ILE A 44 11.209 6.371 -0.208 1.00 2.01 H new ATOM 0 HG23 ILE A 44 9.639 6.320 0.629 1.00 2.01 H new ATOM 0 HD11 ILE A 44 8.999 2.168 1.757 1.00 62.25 H new ATOM 0 HD12 ILE A 44 10.557 2.216 0.898 1.00 62.25 H new ATOM 0 HD13 ILE A 44 10.127 3.515 2.035 1.00 62.25 H new ATOM 705 N LYS A 45 11.043 5.550 -3.625 1.00 55.43 N ATOM 706 CA LYS A 45 11.803 6.377 -4.594 1.00 13.34 C ATOM 707 C LYS A 45 10.819 7.147 -5.505 1.00 40.41 C ATOM 708 O LYS A 45 11.035 8.322 -5.822 1.00 2.14 O ATOM 709 CB LYS A 45 12.787 5.497 -5.444 1.00 43.23 C ATOM 710 CG LYS A 45 14.213 5.244 -4.857 1.00 50.24 C ATOM 711 CD LYS A 45 14.277 4.395 -3.553 1.00 43.02 C ATOM 712 CE LYS A 45 14.115 5.209 -2.252 1.00 21.14 C ATOM 713 NZ LYS A 45 15.171 6.250 -2.103 1.00 63.34 N ATOM 0 H LYS A 45 11.190 4.547 -3.739 1.00 55.43 H new ATOM 0 HA LYS A 45 12.408 7.096 -4.041 1.00 13.34 H new ATOM 0 HB2 LYS A 45 12.315 4.529 -5.611 1.00 43.23 H new ATOM 0 HB3 LYS A 45 12.903 5.968 -6.420 1.00 43.23 H new ATOM 0 HG2 LYS A 45 14.815 4.748 -5.619 1.00 50.24 H new ATOM 0 HG3 LYS A 45 14.679 6.209 -4.661 1.00 50.24 H new ATOM 0 HD2 LYS A 45 13.497 3.635 -3.591 1.00 43.02 H new ATOM 0 HD3 LYS A 45 15.232 3.871 -3.522 1.00 43.02 H new ATOM 0 HE2 LYS A 45 13.134 5.685 -2.243 1.00 21.14 H new ATOM 0 HE3 LYS A 45 14.149 4.534 -1.397 1.00 21.14 H new ATOM 0 HZ1 LYS A 45 15.228 6.546 -1.108 1.00 63.34 H new ATOM 0 HZ2 LYS A 45 16.088 5.860 -2.401 1.00 63.34 H new ATOM 0 HZ3 LYS A 45 14.935 7.071 -2.696 1.00 63.34 H new ATOM 727 N SER A 46 9.714 6.469 -5.885 1.00 30.05 N ATOM 728 CA SER A 46 8.616 7.085 -6.647 1.00 41.05 C ATOM 729 C SER A 46 7.887 8.138 -5.792 1.00 71.10 C ATOM 730 O SER A 46 7.464 9.152 -6.311 1.00 23.41 O ATOM 731 CB SER A 46 7.625 6.003 -7.143 1.00 64.01 C ATOM 732 OG SER A 46 6.562 6.557 -7.906 1.00 3.14 O ATOM 0 H SER A 46 9.562 5.483 -5.671 1.00 30.05 H new ATOM 0 HA SER A 46 9.040 7.586 -7.517 1.00 41.05 H new ATOM 0 HB2 SER A 46 8.161 5.272 -7.748 1.00 64.01 H new ATOM 0 HB3 SER A 46 7.215 5.469 -6.286 1.00 64.01 H new ATOM 0 HG SER A 46 6.741 7.505 -8.076 1.00 3.14 H new ATOM 738 N MET A 47 7.781 7.885 -4.469 1.00 3.23 N ATOM 739 CA MET A 47 7.108 8.805 -3.520 1.00 70.42 C ATOM 740 C MET A 47 7.993 10.018 -3.189 1.00 22.32 C ATOM 741 O MET A 47 7.497 11.040 -2.699 1.00 2.55 O ATOM 742 CB MET A 47 6.711 8.068 -2.212 1.00 43.52 C ATOM 743 CG MET A 47 5.720 6.908 -2.395 1.00 52.42 C ATOM 744 SD MET A 47 4.814 6.535 -0.889 1.00 50.23 S ATOM 745 CE MET A 47 3.901 8.064 -0.688 1.00 64.03 C ATOM 0 H MET A 47 8.156 7.044 -4.029 1.00 3.23 H new ATOM 0 HA MET A 47 6.202 9.163 -4.009 1.00 70.42 H new ATOM 0 HB2 MET A 47 7.615 7.682 -1.741 1.00 43.52 H new ATOM 0 HB3 MET A 47 6.276 8.792 -1.523 1.00 43.52 H new ATOM 0 HG2 MET A 47 5.015 7.158 -3.187 1.00 52.42 H new ATOM 0 HG3 MET A 47 6.261 6.019 -2.719 1.00 52.42 H new ATOM 0 HE1 MET A 47 4.126 8.496 0.287 1.00 64.03 H new ATOM 0 HE2 MET A 47 4.189 8.765 -1.471 1.00 64.03 H new ATOM 0 HE3 MET A 47 2.832 7.861 -0.758 1.00 64.03 H new ATOM 755 N LYS A 48 9.306 9.877 -3.439 1.00 12.03 N ATOM 756 CA LYS A 48 10.287 10.964 -3.278 1.00 21.50 C ATOM 757 C LYS A 48 10.060 12.078 -4.318 1.00 22.01 C ATOM 758 O LYS A 48 10.290 13.260 -4.033 1.00 71.42 O ATOM 759 CB LYS A 48 11.741 10.403 -3.357 1.00 63.12 C ATOM 760 CG LYS A 48 12.252 9.649 -2.093 1.00 4.34 C ATOM 761 CD LYS A 48 12.844 10.569 -0.991 1.00 43.34 C ATOM 762 CE LYS A 48 11.823 11.472 -0.285 1.00 25.32 C ATOM 763 NZ LYS A 48 12.471 12.311 0.760 1.00 75.02 N ATOM 0 H LYS A 48 9.719 9.001 -3.760 1.00 12.03 H new ATOM 0 HA LYS A 48 10.147 11.406 -2.292 1.00 21.50 H new ATOM 0 HB2 LYS A 48 11.802 9.726 -4.209 1.00 63.12 H new ATOM 0 HB3 LYS A 48 12.419 11.232 -3.560 1.00 63.12 H new ATOM 0 HG2 LYS A 48 11.427 9.078 -1.667 1.00 4.34 H new ATOM 0 HG3 LYS A 48 13.013 8.931 -2.397 1.00 4.34 H new ATOM 0 HD2 LYS A 48 13.335 9.946 -0.243 1.00 43.34 H new ATOM 0 HD3 LYS A 48 13.615 11.197 -1.438 1.00 43.34 H new ATOM 0 HE2 LYS A 48 11.335 12.114 -1.018 1.00 25.32 H new ATOM 0 HE3 LYS A 48 11.045 10.858 0.170 1.00 25.32 H new ATOM 0 HZ1 LYS A 48 11.921 12.254 1.641 1.00 75.02 H new ATOM 0 HZ2 LYS A 48 13.437 11.967 0.932 1.00 75.02 H new ATOM 0 HZ3 LYS A 48 12.508 13.299 0.438 1.00 75.02 H new ATOM 777 N ASP A 49 9.619 11.685 -5.522 1.00 34.35 N ATOM 778 CA ASP A 49 9.216 12.631 -6.574 1.00 71.45 C ATOM 779 C ASP A 49 7.704 12.920 -6.466 1.00 42.00 C ATOM 780 O ASP A 49 7.289 14.060 -6.218 1.00 62.23 O ATOM 781 CB ASP A 49 9.576 12.052 -7.971 1.00 71.12 C ATOM 782 CG ASP A 49 9.170 12.980 -9.132 1.00 65.30 C ATOM 783 OD1 ASP A 49 9.848 14.015 -9.344 1.00 1.01 O ATOM 784 OD2 ASP A 49 8.168 12.694 -9.829 1.00 53.43 O ATOM 0 H ASP A 49 9.532 10.706 -5.794 1.00 34.35 H new ATOM 0 HA ASP A 49 9.754 13.570 -6.445 1.00 71.45 H new ATOM 0 HB2 ASP A 49 10.650 11.871 -8.017 1.00 71.12 H new ATOM 0 HB3 ASP A 49 9.084 11.087 -8.096 1.00 71.12 H new ATOM 789 N ASN A 50 6.902 11.857 -6.638 1.00 73.24 N ATOM 790 CA ASN A 50 5.429 11.906 -6.603 1.00 62.32 C ATOM 791 C ASN A 50 4.926 12.128 -5.167 1.00 33.34 C ATOM 792 O ASN A 50 4.690 11.170 -4.413 1.00 41.33 O ATOM 793 CB ASN A 50 4.817 10.592 -7.187 1.00 53.25 C ATOM 794 CG ASN A 50 5.298 10.214 -8.601 1.00 23.41 C ATOM 795 OD1 ASN A 50 5.398 9.030 -8.934 1.00 33.44 O ATOM 796 ND2 ASN A 50 5.566 11.194 -9.452 1.00 62.34 N ATOM 0 H ASN A 50 7.266 10.919 -6.809 1.00 73.24 H new ATOM 0 HA ASN A 50 5.107 12.745 -7.220 1.00 62.32 H new ATOM 0 HB2 ASN A 50 5.050 9.770 -6.510 1.00 53.25 H new ATOM 0 HB3 ASN A 50 3.732 10.693 -7.205 1.00 53.25 H new ATOM 0 HD21 ASN A 50 5.862 10.976 -10.404 1.00 62.34 H new ATOM 0 HD22 ASN A 50 5.477 12.166 -9.155 1.00 62.34 H new ATOM 803 N GLY A 51 4.813 13.406 -4.788 1.00 24.20 N ATOM 804 CA GLY A 51 4.211 13.803 -3.523 1.00 3.32 C ATOM 805 C GLY A 51 2.695 13.818 -3.618 1.00 2.21 C ATOM 806 O GLY A 51 2.079 14.893 -3.668 1.00 44.13 O ATOM 0 H GLY A 51 5.138 14.190 -5.354 1.00 24.20 H new ATOM 0 HA2 GLY A 51 4.522 13.115 -2.737 1.00 3.32 H new ATOM 0 HA3 GLY A 51 4.570 14.793 -3.241 1.00 3.32 H new ATOM 810 N LYS A 52 2.095 12.615 -3.635 1.00 22.22 N ATOM 811 CA LYS A 52 0.648 12.421 -3.871 1.00 54.13 C ATOM 812 C LYS A 52 0.086 11.301 -2.956 1.00 45.05 C ATOM 813 O LYS A 52 0.865 10.516 -2.391 1.00 62.23 O ATOM 814 CB LYS A 52 0.403 12.069 -5.374 1.00 4.13 C ATOM 815 CG LYS A 52 1.075 10.759 -5.852 1.00 32.35 C ATOM 816 CD LYS A 52 0.699 10.378 -7.307 1.00 13.11 C ATOM 817 CE LYS A 52 1.146 11.421 -8.347 1.00 75.02 C ATOM 818 NZ LYS A 52 0.790 11.013 -9.734 1.00 33.32 N ATOM 0 H LYS A 52 2.601 11.742 -3.485 1.00 22.22 H new ATOM 0 HA LYS A 52 0.126 13.347 -3.630 1.00 54.13 H new ATOM 0 HB2 LYS A 52 -0.671 11.993 -5.544 1.00 4.13 H new ATOM 0 HB3 LYS A 52 0.766 12.892 -5.989 1.00 4.13 H new ATOM 0 HG2 LYS A 52 2.157 10.865 -5.779 1.00 32.35 H new ATOM 0 HG3 LYS A 52 0.789 9.946 -5.184 1.00 32.35 H new ATOM 0 HD2 LYS A 52 1.150 9.416 -7.551 1.00 13.11 H new ATOM 0 HD3 LYS A 52 -0.381 10.249 -7.373 1.00 13.11 H new ATOM 0 HE2 LYS A 52 0.681 12.381 -8.121 1.00 75.02 H new ATOM 0 HE3 LYS A 52 2.224 11.564 -8.277 1.00 75.02 H new ATOM 0 HZ1 LYS A 52 0.476 11.846 -10.271 1.00 33.32 H new ATOM 0 HZ2 LYS A 52 1.622 10.596 -10.198 1.00 33.32 H new ATOM 0 HZ3 LYS A 52 0.023 10.312 -9.703 1.00 33.32 H new ATOM 832 N PRO A 53 -1.278 11.231 -2.767 1.00 41.42 N ATOM 833 CA PRO A 53 -1.939 10.070 -2.126 1.00 61.14 C ATOM 834 C PRO A 53 -1.800 8.784 -2.980 1.00 54.03 C ATOM 835 O PRO A 53 -2.473 8.633 -4.003 1.00 2.23 O ATOM 836 CB PRO A 53 -3.430 10.514 -1.996 1.00 20.31 C ATOM 837 CG PRO A 53 -3.405 12.010 -2.150 1.00 73.25 C ATOM 838 CD PRO A 53 -2.274 12.289 -3.107 1.00 20.25 C ATOM 0 HA PRO A 53 -1.491 9.816 -1.165 1.00 61.14 H new ATOM 0 HB2 PRO A 53 -4.049 10.048 -2.763 1.00 20.31 H new ATOM 0 HB3 PRO A 53 -3.846 10.223 -1.031 1.00 20.31 H new ATOM 0 HG2 PRO A 53 -4.352 12.382 -2.541 1.00 73.25 H new ATOM 0 HG3 PRO A 53 -3.240 12.502 -1.191 1.00 73.25 H new ATOM 0 HD2 PRO A 53 -2.598 12.220 -4.146 1.00 20.25 H new ATOM 0 HD3 PRO A 53 -1.864 13.289 -2.967 1.00 20.25 H new ATOM 846 N LEU A 54 -0.874 7.900 -2.584 1.00 32.51 N ATOM 847 CA LEU A 54 -0.701 6.565 -3.202 1.00 60.55 C ATOM 848 C LEU A 54 -1.297 5.474 -2.295 1.00 33.24 C ATOM 849 O LEU A 54 -1.597 5.719 -1.129 1.00 53.34 O ATOM 850 CB LEU A 54 0.813 6.281 -3.487 1.00 52.43 C ATOM 851 CG LEU A 54 1.432 7.029 -4.717 1.00 60.25 C ATOM 852 CD1 LEU A 54 2.942 6.749 -4.867 1.00 75.12 C ATOM 853 CD2 LEU A 54 0.683 6.664 -6.007 1.00 33.44 C ATOM 0 H LEU A 54 -0.219 8.085 -1.824 1.00 32.51 H new ATOM 0 HA LEU A 54 -1.234 6.552 -4.153 1.00 60.55 H new ATOM 0 HB2 LEU A 54 1.386 6.548 -2.599 1.00 52.43 H new ATOM 0 HB3 LEU A 54 0.939 5.209 -3.638 1.00 52.43 H new ATOM 0 HG LEU A 54 1.318 8.098 -4.535 1.00 60.25 H new ATOM 0 HD11 LEU A 54 3.328 7.288 -5.732 1.00 75.12 H new ATOM 0 HD12 LEU A 54 3.465 7.081 -3.970 1.00 75.12 H new ATOM 0 HD13 LEU A 54 3.102 5.680 -5.005 1.00 75.12 H new ATOM 0 HD21 LEU A 54 1.129 7.194 -6.849 1.00 33.44 H new ATOM 0 HD22 LEU A 54 0.753 5.590 -6.177 1.00 33.44 H new ATOM 0 HD23 LEU A 54 -0.365 6.949 -5.912 1.00 33.44 H new ATOM 865 N VAL A 55 -1.483 4.273 -2.860 1.00 32.11 N ATOM 866 CA VAL A 55 -1.941 3.070 -2.129 1.00 70.45 C ATOM 867 C VAL A 55 -1.065 1.884 -2.583 1.00 32.42 C ATOM 868 O VAL A 55 -0.938 1.654 -3.780 1.00 21.12 O ATOM 869 CB VAL A 55 -3.476 2.750 -2.402 1.00 40.41 C ATOM 870 CG1 VAL A 55 -3.928 1.458 -1.687 1.00 53.45 C ATOM 871 CG2 VAL A 55 -4.389 3.936 -1.998 1.00 65.42 C ATOM 0 H VAL A 55 -1.319 4.101 -3.852 1.00 32.11 H new ATOM 0 HA VAL A 55 -1.844 3.245 -1.058 1.00 70.45 H new ATOM 0 HB VAL A 55 -3.575 2.595 -3.476 1.00 40.41 H new ATOM 0 HG11 VAL A 55 -4.981 1.275 -1.898 1.00 53.45 H new ATOM 0 HG12 VAL A 55 -3.334 0.617 -2.045 1.00 53.45 H new ATOM 0 HG13 VAL A 55 -3.788 1.569 -0.612 1.00 53.45 H new ATOM 0 HG21 VAL A 55 -5.429 3.680 -2.199 1.00 65.42 H new ATOM 0 HG22 VAL A 55 -4.266 4.144 -0.935 1.00 65.42 H new ATOM 0 HG23 VAL A 55 -4.115 4.819 -2.575 1.00 65.42 H new ATOM 881 N VAL A 56 -0.422 1.177 -1.636 1.00 3.31 N ATOM 882 CA VAL A 56 0.402 -0.020 -1.937 1.00 44.23 C ATOM 883 C VAL A 56 -0.308 -1.281 -1.451 1.00 34.21 C ATOM 884 O VAL A 56 -0.685 -1.361 -0.288 1.00 31.22 O ATOM 885 CB VAL A 56 1.823 0.064 -1.252 1.00 72.21 C ATOM 886 CG1 VAL A 56 2.639 -1.246 -1.415 1.00 24.10 C ATOM 887 CG2 VAL A 56 2.615 1.257 -1.804 1.00 33.10 C ATOM 0 H VAL A 56 -0.455 1.413 -0.644 1.00 3.31 H new ATOM 0 HA VAL A 56 0.539 -0.058 -3.018 1.00 44.23 H new ATOM 0 HB VAL A 56 1.654 0.206 -0.185 1.00 72.21 H new ATOM 0 HG11 VAL A 56 3.607 -1.135 -0.926 1.00 24.10 H new ATOM 0 HG12 VAL A 56 2.095 -2.073 -0.959 1.00 24.10 H new ATOM 0 HG13 VAL A 56 2.789 -1.452 -2.475 1.00 24.10 H new ATOM 0 HG21 VAL A 56 3.591 1.300 -1.321 1.00 33.10 H new ATOM 0 HG22 VAL A 56 2.747 1.140 -2.880 1.00 33.10 H new ATOM 0 HG23 VAL A 56 2.070 2.180 -1.604 1.00 33.10 H new ATOM 897 N PHE A 57 -0.491 -2.253 -2.350 1.00 14.15 N ATOM 898 CA PHE A 57 -0.908 -3.609 -1.983 1.00 2.20 C ATOM 899 C PHE A 57 0.335 -4.506 -1.942 1.00 3.25 C ATOM 900 O PHE A 57 0.936 -4.793 -2.988 1.00 0.22 O ATOM 901 CB PHE A 57 -1.948 -4.143 -2.999 1.00 4.33 C ATOM 902 CG PHE A 57 -3.303 -3.439 -2.928 1.00 61.33 C ATOM 903 CD1 PHE A 57 -3.527 -2.232 -3.593 1.00 51.52 C ATOM 904 CD2 PHE A 57 -4.350 -3.984 -2.189 1.00 4.14 C ATOM 905 CE1 PHE A 57 -4.755 -1.597 -3.516 1.00 54.43 C ATOM 906 CE2 PHE A 57 -5.571 -3.348 -2.116 1.00 33.23 C ATOM 907 CZ PHE A 57 -5.774 -2.154 -2.778 1.00 65.31 C ATOM 0 H PHE A 57 -0.354 -2.122 -3.352 1.00 14.15 H new ATOM 0 HA PHE A 57 -1.381 -3.604 -1.001 1.00 2.20 H new ATOM 0 HB2 PHE A 57 -1.546 -4.035 -4.006 1.00 4.33 H new ATOM 0 HB3 PHE A 57 -2.094 -5.209 -2.827 1.00 4.33 H new ATOM 0 HD1 PHE A 57 -2.733 -1.788 -4.175 1.00 51.52 H new ATOM 0 HD2 PHE A 57 -4.203 -4.917 -1.666 1.00 4.14 H new ATOM 0 HE1 PHE A 57 -4.913 -0.664 -4.036 1.00 54.43 H new ATOM 0 HE2 PHE A 57 -6.372 -3.786 -1.539 1.00 33.23 H new ATOM 0 HZ PHE A 57 -6.731 -1.658 -2.717 1.00 65.31 H new ATOM 917 N VAL A 58 0.752 -4.908 -0.726 1.00 30.34 N ATOM 918 CA VAL A 58 1.854 -5.867 -0.554 1.00 23.22 C ATOM 919 C VAL A 58 1.283 -7.304 -0.596 1.00 71.20 C ATOM 920 O VAL A 58 0.613 -7.755 0.338 1.00 52.43 O ATOM 921 CB VAL A 58 2.713 -5.599 0.750 1.00 21.22 C ATOM 922 CG1 VAL A 58 3.448 -4.245 0.666 1.00 44.21 C ATOM 923 CG2 VAL A 58 1.883 -5.672 2.043 1.00 5.44 C ATOM 0 H VAL A 58 0.341 -4.582 0.149 1.00 30.34 H new ATOM 0 HA VAL A 58 2.554 -5.736 -1.379 1.00 23.22 H new ATOM 0 HB VAL A 58 3.449 -6.402 0.795 1.00 21.22 H new ATOM 0 HG11 VAL A 58 4.029 -4.089 1.575 1.00 44.21 H new ATOM 0 HG12 VAL A 58 4.116 -4.246 -0.196 1.00 44.21 H new ATOM 0 HG13 VAL A 58 2.719 -3.441 0.559 1.00 44.21 H new ATOM 0 HG21 VAL A 58 2.528 -5.480 2.901 1.00 5.44 H new ATOM 0 HG22 VAL A 58 1.091 -4.924 2.010 1.00 5.44 H new ATOM 0 HG23 VAL A 58 1.441 -6.664 2.136 1.00 5.44 H new ATOM 933 N ASN A 59 1.508 -7.986 -1.733 1.00 50.11 N ATOM 934 CA ASN A 59 1.010 -9.350 -1.991 1.00 0.33 C ATOM 935 C ASN A 59 1.702 -10.388 -1.082 1.00 61.11 C ATOM 936 O ASN A 59 2.670 -11.047 -1.484 1.00 12.43 O ATOM 937 CB ASN A 59 1.166 -9.721 -3.495 1.00 55.23 C ATOM 938 CG ASN A 59 0.275 -8.901 -4.435 1.00 23.24 C ATOM 939 OD1 ASN A 59 0.032 -7.713 -4.223 1.00 34.34 O ATOM 940 ND2 ASN A 59 -0.235 -9.538 -5.476 1.00 1.51 N ATOM 0 H ASN A 59 2.047 -7.601 -2.508 1.00 50.11 H new ATOM 0 HA ASN A 59 -0.053 -9.367 -1.749 1.00 0.33 H new ATOM 0 HB2 ASN A 59 2.207 -9.584 -3.786 1.00 55.23 H new ATOM 0 HB3 ASN A 59 0.936 -10.779 -3.624 1.00 55.23 H new ATOM 0 HD21 ASN A 59 -0.846 -9.044 -6.127 1.00 1.51 H new ATOM 0 HD22 ASN A 59 -0.017 -10.523 -5.628 1.00 1.51 H new ATOM 947 N GLY A 60 1.187 -10.487 0.167 1.00 13.11 N ATOM 948 CA GLY A 60 1.681 -11.429 1.172 1.00 21.42 C ATOM 949 C GLY A 60 3.143 -11.214 1.542 1.00 51.14 C ATOM 950 O GLY A 60 3.884 -12.184 1.749 1.00 63.12 O ATOM 0 H GLY A 60 0.414 -9.908 0.496 1.00 13.11 H new ATOM 0 HA2 GLY A 60 1.071 -11.342 2.071 1.00 21.42 H new ATOM 0 HA3 GLY A 60 1.555 -12.445 0.799 1.00 21.42 H new ATOM 954 N ALA A 61 3.561 -9.938 1.621 1.00 34.22 N ATOM 955 CA ALA A 61 4.948 -9.576 1.969 1.00 61.43 C ATOM 956 C ALA A 61 5.219 -9.848 3.456 1.00 12.23 C ATOM 957 O ALA A 61 4.346 -9.606 4.308 1.00 74.23 O ATOM 958 CB ALA A 61 5.242 -8.111 1.611 1.00 23.05 C ATOM 0 H ALA A 61 2.955 -9.136 1.448 1.00 34.22 H new ATOM 0 HA ALA A 61 5.621 -10.200 1.382 1.00 61.43 H new ATOM 0 HB1 ALA A 61 6.271 -7.871 1.878 1.00 23.05 H new ATOM 0 HB2 ALA A 61 5.101 -7.963 0.540 1.00 23.05 H new ATOM 0 HB3 ALA A 61 4.563 -7.459 2.160 1.00 23.05 H new ATOM 964 N SER A 62 6.428 -10.361 3.746 1.00 11.13 N ATOM 965 CA SER A 62 6.866 -10.695 5.108 1.00 64.42 C ATOM 966 C SER A 62 7.124 -9.414 5.905 1.00 51.24 C ATOM 967 O SER A 62 7.280 -8.327 5.321 1.00 32.22 O ATOM 968 CB SER A 62 8.149 -11.560 5.047 1.00 34.11 C ATOM 969 OG SER A 62 7.902 -12.798 4.400 1.00 14.31 O ATOM 0 H SER A 62 7.132 -10.556 3.034 1.00 11.13 H new ATOM 0 HA SER A 62 6.081 -11.263 5.608 1.00 64.42 H new ATOM 0 HB2 SER A 62 8.931 -11.018 4.515 1.00 34.11 H new ATOM 0 HB3 SER A 62 8.517 -11.741 6.057 1.00 34.11 H new ATOM 0 HG SER A 62 8.729 -13.324 4.373 1.00 14.31 H new ATOM 975 N GLN A 63 7.198 -9.558 7.242 1.00 32.13 N ATOM 976 CA GLN A 63 7.411 -8.426 8.157 1.00 21.43 C ATOM 977 C GLN A 63 8.757 -7.723 7.868 1.00 5.23 C ATOM 978 O GLN A 63 8.890 -6.536 8.131 1.00 41.31 O ATOM 979 CB GLN A 63 7.318 -8.879 9.644 1.00 71.45 C ATOM 980 CG GLN A 63 7.362 -7.715 10.664 1.00 64.43 C ATOM 981 CD GLN A 63 6.230 -6.694 10.480 1.00 64.14 C ATOM 982 OE1 GLN A 63 5.110 -7.037 10.090 1.00 13.15 O ATOM 983 NE2 GLN A 63 6.513 -5.436 10.738 1.00 33.34 N ATOM 0 H GLN A 63 7.112 -10.458 7.714 1.00 32.13 H new ATOM 0 HA GLN A 63 6.615 -7.702 7.983 1.00 21.43 H new ATOM 0 HB2 GLN A 63 6.392 -9.437 9.785 1.00 71.45 H new ATOM 0 HB3 GLN A 63 8.139 -9.564 9.856 1.00 71.45 H new ATOM 0 HG2 GLN A 63 7.310 -8.125 11.673 1.00 64.43 H new ATOM 0 HG3 GLN A 63 8.320 -7.203 10.577 1.00 64.43 H new ATOM 0 HE21 GLN A 63 7.446 -5.179 11.059 1.00 33.34 H new ATOM 0 HE22 GLN A 63 5.799 -4.718 10.617 1.00 33.34 H new ATOM 992 N ASN A 64 9.725 -8.475 7.296 1.00 42.23 N ATOM 993 CA ASN A 64 11.018 -7.928 6.820 1.00 4.24 C ATOM 994 C ASN A 64 10.774 -6.767 5.831 1.00 14.15 C ATOM 995 O ASN A 64 11.225 -5.647 6.063 1.00 22.42 O ATOM 996 CB ASN A 64 11.860 -9.040 6.131 1.00 54.35 C ATOM 997 CG ASN A 64 12.088 -10.255 7.034 1.00 42.01 C ATOM 998 OD1 ASN A 64 11.246 -11.153 7.101 1.00 62.31 O ATOM 999 ND2 ASN A 64 13.217 -10.302 7.729 1.00 13.34 N ATOM 0 H ASN A 64 9.632 -9.480 7.151 1.00 42.23 H new ATOM 0 HA ASN A 64 11.571 -7.553 7.681 1.00 4.24 H new ATOM 0 HB2 ASN A 64 11.355 -9.360 5.219 1.00 54.35 H new ATOM 0 HB3 ASN A 64 12.824 -8.628 5.833 1.00 54.35 H new ATOM 0 HD21 ASN A 64 13.407 -11.097 8.340 1.00 13.34 H new ATOM 0 HD22 ASN A 64 13.895 -9.544 7.653 1.00 13.34 H new ATOM 1006 N ASP A 65 9.990 -7.064 4.770 1.00 55.34 N ATOM 1007 CA ASP A 65 9.636 -6.099 3.697 1.00 31.51 C ATOM 1008 C ASP A 65 8.880 -4.882 4.262 1.00 64.11 C ATOM 1009 O ASP A 65 9.109 -3.737 3.855 1.00 21.15 O ATOM 1010 CB ASP A 65 8.744 -6.787 2.628 1.00 74.41 C ATOM 1011 CG ASP A 65 9.379 -8.047 2.013 1.00 64.13 C ATOM 1012 OD1 ASP A 65 10.237 -7.921 1.109 1.00 5.42 O ATOM 1013 OD2 ASP A 65 9.031 -9.175 2.443 1.00 0.05 O ATOM 0 H ASP A 65 9.580 -7.988 4.631 1.00 55.34 H new ATOM 0 HA ASP A 65 10.568 -5.758 3.246 1.00 31.51 H new ATOM 0 HB2 ASP A 65 7.790 -7.056 3.081 1.00 74.41 H new ATOM 0 HB3 ASP A 65 8.529 -6.073 1.833 1.00 74.41 H new ATOM 1018 N VAL A 66 7.973 -5.173 5.205 1.00 24.44 N ATOM 1019 CA VAL A 66 7.120 -4.180 5.873 1.00 24.21 C ATOM 1020 C VAL A 66 7.970 -3.182 6.693 1.00 31.50 C ATOM 1021 O VAL A 66 7.726 -1.968 6.651 1.00 11.43 O ATOM 1022 CB VAL A 66 6.067 -4.914 6.784 1.00 14.22 C ATOM 1023 CG1 VAL A 66 5.242 -3.927 7.631 1.00 75.22 C ATOM 1024 CG2 VAL A 66 5.146 -5.819 5.923 1.00 12.30 C ATOM 0 H VAL A 66 7.808 -6.125 5.531 1.00 24.44 H new ATOM 0 HA VAL A 66 6.587 -3.606 5.116 1.00 24.21 H new ATOM 0 HB VAL A 66 6.618 -5.542 7.484 1.00 14.22 H new ATOM 0 HG11 VAL A 66 4.529 -4.480 8.243 1.00 75.22 H new ATOM 0 HG12 VAL A 66 5.909 -3.356 8.277 1.00 75.22 H new ATOM 0 HG13 VAL A 66 4.703 -3.245 6.973 1.00 75.22 H new ATOM 0 HG21 VAL A 66 4.423 -6.320 6.567 1.00 12.30 H new ATOM 0 HG22 VAL A 66 4.618 -5.209 5.191 1.00 12.30 H new ATOM 0 HG23 VAL A 66 5.749 -6.565 5.406 1.00 12.30 H new ATOM 1034 N ASN A 67 8.993 -3.713 7.397 1.00 42.14 N ATOM 1035 CA ASN A 67 9.936 -2.901 8.198 1.00 62.43 C ATOM 1036 C ASN A 67 10.736 -1.984 7.272 1.00 3.33 C ATOM 1037 O ASN A 67 10.842 -0.787 7.537 1.00 21.04 O ATOM 1038 CB ASN A 67 10.913 -3.792 9.019 1.00 65.01 C ATOM 1039 CG ASN A 67 10.225 -4.638 10.087 1.00 33.55 C ATOM 1040 OD1 ASN A 67 9.247 -4.215 10.710 1.00 32.12 O ATOM 1041 ND2 ASN A 67 10.721 -5.853 10.290 1.00 2.55 N ATOM 0 H ASN A 67 9.188 -4.714 7.426 1.00 42.14 H new ATOM 0 HA ASN A 67 9.352 -2.308 8.902 1.00 62.43 H new ATOM 0 HB2 ASN A 67 11.449 -4.451 8.336 1.00 65.01 H new ATOM 0 HB3 ASN A 67 11.657 -3.155 9.497 1.00 65.01 H new ATOM 0 HD21 ASN A 67 10.292 -6.470 10.980 1.00 2.55 H new ATOM 0 HD22 ASN A 67 11.531 -6.169 9.756 1.00 2.55 H new ATOM 1048 N GLU A 68 11.254 -2.566 6.161 1.00 52.34 N ATOM 1049 CA GLU A 68 12.063 -1.829 5.171 1.00 30.03 C ATOM 1050 C GLU A 68 11.254 -0.674 4.558 1.00 25.44 C ATOM 1051 O GLU A 68 11.786 0.413 4.352 1.00 12.34 O ATOM 1052 CB GLU A 68 12.592 -2.770 4.043 1.00 52.14 C ATOM 1053 CG GLU A 68 13.417 -3.989 4.522 1.00 41.12 C ATOM 1054 CD GLU A 68 14.577 -3.643 5.484 1.00 14.54 C ATOM 1055 OE1 GLU A 68 15.692 -3.318 5.012 1.00 2.04 O ATOM 1056 OE2 GLU A 68 14.381 -3.698 6.723 1.00 44.12 O ATOM 0 H GLU A 68 11.121 -3.551 5.932 1.00 52.34 H new ATOM 0 HA GLU A 68 12.924 -1.418 5.698 1.00 30.03 H new ATOM 0 HB2 GLU A 68 11.740 -3.134 3.468 1.00 52.14 H new ATOM 0 HB3 GLU A 68 13.208 -2.182 3.363 1.00 52.14 H new ATOM 0 HG2 GLU A 68 12.748 -4.692 5.019 1.00 41.12 H new ATOM 0 HG3 GLU A 68 13.826 -4.500 3.650 1.00 41.12 H new ATOM 1063 N PHE A 69 9.951 -0.922 4.311 1.00 71.10 N ATOM 1064 CA PHE A 69 9.041 0.083 3.729 1.00 42.14 C ATOM 1065 C PHE A 69 8.881 1.264 4.695 1.00 50.31 C ATOM 1066 O PHE A 69 9.067 2.419 4.320 1.00 12.54 O ATOM 1067 CB PHE A 69 7.651 -0.546 3.401 1.00 43.32 C ATOM 1068 CG PHE A 69 6.745 0.347 2.544 1.00 72.11 C ATOM 1069 CD1 PHE A 69 5.894 1.293 3.128 1.00 53.14 C ATOM 1070 CD2 PHE A 69 6.756 0.252 1.149 1.00 43.21 C ATOM 1071 CE1 PHE A 69 5.093 2.104 2.351 1.00 30.31 C ATOM 1072 CE2 PHE A 69 5.948 1.066 0.373 1.00 41.31 C ATOM 1073 CZ PHE A 69 5.120 1.992 0.974 1.00 15.32 C ATOM 0 H PHE A 69 9.504 -1.817 4.508 1.00 71.10 H new ATOM 0 HA PHE A 69 9.475 0.443 2.796 1.00 42.14 H new ATOM 0 HB2 PHE A 69 7.806 -1.492 2.882 1.00 43.32 H new ATOM 0 HB3 PHE A 69 7.138 -0.775 4.335 1.00 43.32 H new ATOM 0 HD1 PHE A 69 5.864 1.389 4.203 1.00 53.14 H new ATOM 0 HD2 PHE A 69 7.404 -0.467 0.670 1.00 43.21 H new ATOM 0 HE1 PHE A 69 4.443 2.828 2.820 1.00 30.31 H new ATOM 0 HE2 PHE A 69 5.966 0.976 -0.703 1.00 41.31 H new ATOM 0 HZ PHE A 69 4.493 2.629 0.368 1.00 15.32 H new ATOM 1083 N GLN A 70 8.576 0.936 5.952 1.00 14.22 N ATOM 1084 CA GLN A 70 8.320 1.928 7.003 1.00 13.13 C ATOM 1085 C GLN A 70 9.593 2.719 7.372 1.00 32.44 C ATOM 1086 O GLN A 70 9.503 3.891 7.733 1.00 33.32 O ATOM 1087 CB GLN A 70 7.716 1.226 8.240 1.00 62.11 C ATOM 1088 CG GLN A 70 6.314 0.629 7.991 1.00 62.43 C ATOM 1089 CD GLN A 70 5.733 -0.102 9.200 1.00 4.33 C ATOM 1090 OE1 GLN A 70 6.057 0.200 10.349 1.00 14.03 O ATOM 1091 NE2 GLN A 70 4.839 -1.047 8.950 1.00 14.42 N ATOM 0 H GLN A 70 8.499 -0.029 6.273 1.00 14.22 H new ATOM 0 HA GLN A 70 7.603 2.656 6.622 1.00 13.13 H new ATOM 0 HB2 GLN A 70 8.389 0.430 8.560 1.00 62.11 H new ATOM 0 HB3 GLN A 70 7.656 1.942 9.060 1.00 62.11 H new ATOM 0 HG2 GLN A 70 5.634 1.430 7.701 1.00 62.43 H new ATOM 0 HG3 GLN A 70 6.368 -0.063 7.151 1.00 62.43 H new ATOM 0 HE21 GLN A 70 4.592 -1.274 7.987 1.00 14.42 H new ATOM 0 HE22 GLN A 70 4.397 -1.548 9.721 1.00 14.42 H new ATOM 1100 N ASN A 71 10.774 2.070 7.250 1.00 34.55 N ATOM 1101 CA ASN A 71 12.082 2.693 7.560 1.00 72.30 C ATOM 1102 C ASN A 71 12.455 3.703 6.469 1.00 3.23 C ATOM 1103 O ASN A 71 12.651 4.889 6.762 1.00 52.12 O ATOM 1104 CB ASN A 71 13.203 1.618 7.720 1.00 35.42 C ATOM 1105 CG ASN A 71 13.073 0.771 8.994 1.00 22.20 C ATOM 1106 OD1 ASN A 71 12.645 1.256 10.043 1.00 2.01 O ATOM 1107 ND2 ASN A 71 13.420 -0.507 8.909 1.00 74.33 N ATOM 0 H ASN A 71 10.847 1.103 6.935 1.00 34.55 H new ATOM 0 HA ASN A 71 11.991 3.216 8.512 1.00 72.30 H new ATOM 0 HB2 ASN A 71 13.187 0.958 6.853 1.00 35.42 H new ATOM 0 HB3 ASN A 71 14.173 2.116 7.723 1.00 35.42 H new ATOM 0 HD21 ASN A 71 13.335 -1.114 9.725 1.00 74.33 H new ATOM 0 HD22 ASN A 71 13.771 -0.883 8.028 1.00 74.33 H new ATOM 1114 N GLU A 72 12.507 3.222 5.204 1.00 45.03 N ATOM 1115 CA GLU A 72 12.891 4.055 4.042 1.00 45.20 C ATOM 1116 C GLU A 72 11.892 5.198 3.815 1.00 51.22 C ATOM 1117 O GLU A 72 12.249 6.225 3.238 1.00 72.15 O ATOM 1118 CB GLU A 72 13.042 3.219 2.742 1.00 64.53 C ATOM 1119 CG GLU A 72 14.012 2.020 2.816 1.00 0.13 C ATOM 1120 CD GLU A 72 15.354 2.325 3.503 1.00 4.03 C ATOM 1121 OE1 GLU A 72 16.122 3.169 2.992 1.00 53.22 O ATOM 1122 OE2 GLU A 72 15.653 1.710 4.560 1.00 10.32 O ATOM 0 H GLU A 72 12.286 2.256 4.963 1.00 45.03 H new ATOM 0 HA GLU A 72 13.865 4.482 4.282 1.00 45.20 H new ATOM 0 HB2 GLU A 72 12.058 2.847 2.457 1.00 64.53 H new ATOM 0 HB3 GLU A 72 13.376 3.882 1.944 1.00 64.53 H new ATOM 0 HG2 GLU A 72 13.522 1.205 3.350 1.00 0.13 H new ATOM 0 HG3 GLU A 72 14.209 1.665 1.804 1.00 0.13 H new ATOM 1129 N ALA A 73 10.642 5.004 4.265 1.00 71.23 N ATOM 1130 CA ALA A 73 9.616 6.046 4.216 1.00 22.54 C ATOM 1131 C ALA A 73 9.910 7.160 5.245 1.00 1.12 C ATOM 1132 O ALA A 73 10.201 8.298 4.856 1.00 61.33 O ATOM 1133 CB ALA A 73 8.226 5.432 4.436 1.00 54.25 C ATOM 0 H ALA A 73 10.320 4.125 4.670 1.00 71.23 H new ATOM 0 HA ALA A 73 9.632 6.505 3.227 1.00 22.54 H new ATOM 0 HB1 ALA A 73 7.471 6.217 4.397 1.00 54.25 H new ATOM 0 HB2 ALA A 73 8.025 4.697 3.656 1.00 54.25 H new ATOM 0 HB3 ALA A 73 8.193 4.945 5.411 1.00 54.25 H new ATOM 1139 N LYS A 74 9.908 6.812 6.557 1.00 5.22 N ATOM 1140 CA LYS A 74 9.970 7.824 7.644 1.00 1.40 C ATOM 1141 C LYS A 74 11.318 8.572 7.694 1.00 1.21 C ATOM 1142 O LYS A 74 11.347 9.752 8.056 1.00 54.02 O ATOM 1143 CB LYS A 74 9.647 7.209 9.032 1.00 73.32 C ATOM 1144 CG LYS A 74 10.630 6.136 9.545 1.00 64.43 C ATOM 1145 CD LYS A 74 10.284 5.642 10.974 1.00 30.23 C ATOM 1146 CE LYS A 74 11.073 4.381 11.379 1.00 72.32 C ATOM 1147 NZ LYS A 74 10.630 3.179 10.621 1.00 5.43 N ATOM 0 H LYS A 74 9.865 5.848 6.886 1.00 5.22 H new ATOM 0 HA LYS A 74 9.199 8.556 7.403 1.00 1.40 H new ATOM 0 HB2 LYS A 74 9.607 8.016 9.764 1.00 73.32 H new ATOM 0 HB3 LYS A 74 8.651 6.769 8.989 1.00 73.32 H new ATOM 0 HG2 LYS A 74 10.625 5.288 8.861 1.00 64.43 H new ATOM 0 HG3 LYS A 74 11.641 6.543 9.541 1.00 64.43 H new ATOM 0 HD2 LYS A 74 10.490 6.439 11.689 1.00 30.23 H new ATOM 0 HD3 LYS A 74 9.216 5.431 11.032 1.00 30.23 H new ATOM 0 HE2 LYS A 74 12.136 4.547 11.206 1.00 72.32 H new ATOM 0 HE3 LYS A 74 10.948 4.203 12.447 1.00 72.32 H new ATOM 0 HZ1 LYS A 74 11.450 2.571 10.424 1.00 5.43 H new ATOM 0 HZ2 LYS A 74 9.934 2.650 11.185 1.00 5.43 H new ATOM 0 HZ3 LYS A 74 10.195 3.475 9.724 1.00 5.43 H new ATOM 1161 N LYS A 75 12.425 7.896 7.310 1.00 1.51 N ATOM 1162 CA LYS A 75 13.775 8.522 7.293 1.00 42.53 C ATOM 1163 C LYS A 75 13.844 9.646 6.242 1.00 53.15 C ATOM 1164 O LYS A 75 14.617 10.595 6.382 1.00 33.24 O ATOM 1165 CB LYS A 75 14.901 7.475 7.026 1.00 44.35 C ATOM 1166 CG LYS A 75 14.924 6.874 5.599 1.00 1.21 C ATOM 1167 CD LYS A 75 16.111 5.909 5.356 1.00 65.13 C ATOM 1168 CE LYS A 75 16.112 4.708 6.311 1.00 35.15 C ATOM 1169 NZ LYS A 75 17.187 3.733 5.977 1.00 61.23 N ATOM 0 H LYS A 75 12.415 6.922 7.008 1.00 1.51 H new ATOM 0 HA LYS A 75 13.941 8.947 8.283 1.00 42.53 H new ATOM 0 HB2 LYS A 75 15.865 7.946 7.219 1.00 44.35 H new ATOM 0 HB3 LYS A 75 14.794 6.661 7.743 1.00 44.35 H new ATOM 0 HG2 LYS A 75 13.990 6.341 5.423 1.00 1.21 H new ATOM 0 HG3 LYS A 75 14.970 7.685 4.872 1.00 1.21 H new ATOM 0 HD2 LYS A 75 16.075 5.549 4.328 1.00 65.13 H new ATOM 0 HD3 LYS A 75 17.047 6.457 5.469 1.00 65.13 H new ATOM 0 HE2 LYS A 75 16.245 5.058 7.335 1.00 35.15 H new ATOM 0 HE3 LYS A 75 15.144 4.209 6.268 1.00 35.15 H new ATOM 0 HZ1 LYS A 75 16.769 2.900 5.516 1.00 61.23 H new ATOM 0 HZ2 LYS A 75 17.872 4.178 5.333 1.00 61.23 H new ATOM 0 HZ3 LYS A 75 17.672 3.439 6.849 1.00 61.23 H new ATOM 1183 N GLU A 76 13.000 9.518 5.206 1.00 64.35 N ATOM 1184 CA GLU A 76 12.913 10.466 4.087 1.00 22.35 C ATOM 1185 C GLU A 76 11.773 11.482 4.269 1.00 5.30 C ATOM 1186 O GLU A 76 11.581 12.360 3.413 1.00 31.34 O ATOM 1187 CB GLU A 76 12.710 9.664 2.777 1.00 14.45 C ATOM 1188 CG GLU A 76 13.886 8.749 2.395 1.00 62.45 C ATOM 1189 CD GLU A 76 15.234 9.488 2.356 1.00 30.02 C ATOM 1190 OE1 GLU A 76 15.449 10.307 1.430 1.00 54.41 O ATOM 1191 OE2 GLU A 76 16.073 9.278 3.260 1.00 13.25 O ATOM 0 H GLU A 76 12.348 8.738 5.122 1.00 64.35 H new ATOM 0 HA GLU A 76 13.840 11.038 4.048 1.00 22.35 H new ATOM 0 HB2 GLU A 76 11.811 9.056 2.875 1.00 14.45 H new ATOM 0 HB3 GLU A 76 12.533 10.365 1.961 1.00 14.45 H new ATOM 0 HG2 GLU A 76 13.948 7.929 3.110 1.00 62.45 H new ATOM 0 HG3 GLU A 76 13.692 8.306 1.418 1.00 62.45 H new ATOM 1198 N GLY A 77 11.018 11.344 5.371 1.00 11.20 N ATOM 1199 CA GLY A 77 9.858 12.192 5.645 1.00 25.44 C ATOM 1200 C GLY A 77 8.628 11.816 4.820 1.00 0.43 C ATOM 1201 O GLY A 77 7.656 12.579 4.770 1.00 5.33 O ATOM 0 H GLY A 77 11.197 10.644 6.091 1.00 11.20 H new ATOM 0 HA2 GLY A 77 9.611 12.126 6.705 1.00 25.44 H new ATOM 0 HA3 GLY A 77 10.120 13.231 5.442 1.00 25.44 H new ATOM 1205 N VAL A 78 8.687 10.645 4.148 1.00 42.24 N ATOM 1206 CA VAL A 78 7.547 10.075 3.419 1.00 53.22 C ATOM 1207 C VAL A 78 6.557 9.489 4.440 1.00 30.43 C ATOM 1208 O VAL A 78 6.909 8.583 5.207 1.00 34.11 O ATOM 1209 CB VAL A 78 7.999 8.965 2.388 1.00 4.31 C ATOM 1210 CG1 VAL A 78 6.791 8.326 1.662 1.00 41.12 C ATOM 1211 CG2 VAL A 78 9.016 9.532 1.372 1.00 70.34 C ATOM 0 H VAL A 78 9.530 10.073 4.100 1.00 42.24 H new ATOM 0 HA VAL A 78 7.070 10.866 2.840 1.00 53.22 H new ATOM 0 HB VAL A 78 8.490 8.176 2.958 1.00 4.31 H new ATOM 0 HG11 VAL A 78 7.146 7.569 0.963 1.00 41.12 H new ATOM 0 HG12 VAL A 78 6.130 7.863 2.394 1.00 41.12 H new ATOM 0 HG13 VAL A 78 6.245 9.096 1.117 1.00 41.12 H new ATOM 0 HG21 VAL A 78 9.310 8.747 0.675 1.00 70.34 H new ATOM 0 HG22 VAL A 78 8.560 10.355 0.821 1.00 70.34 H new ATOM 0 HG23 VAL A 78 9.897 9.895 1.902 1.00 70.34 H new ATOM 1221 N SER A 79 5.340 10.047 4.461 1.00 53.41 N ATOM 1222 CA SER A 79 4.270 9.605 5.353 1.00 13.05 C ATOM 1223 C SER A 79 3.643 8.294 4.832 1.00 25.40 C ATOM 1224 O SER A 79 3.672 8.005 3.625 1.00 54.25 O ATOM 1225 CB SER A 79 3.203 10.711 5.473 1.00 35.52 C ATOM 1226 OG SER A 79 3.757 11.932 5.937 1.00 55.41 O ATOM 0 H SER A 79 5.072 10.822 3.855 1.00 53.41 H new ATOM 0 HA SER A 79 4.686 9.411 6.342 1.00 13.05 H new ATOM 0 HB2 SER A 79 2.735 10.871 4.502 1.00 35.52 H new ATOM 0 HB3 SER A 79 2.418 10.386 6.156 1.00 35.52 H new ATOM 0 HG SER A 79 3.051 12.609 5.999 1.00 55.41 H new ATOM 1232 N TYR A 80 3.081 7.514 5.758 1.00 32.23 N ATOM 1233 CA TYR A 80 2.486 6.210 5.470 1.00 54.44 C ATOM 1234 C TYR A 80 1.479 5.857 6.566 1.00 51.00 C ATOM 1235 O TYR A 80 1.634 6.276 7.724 1.00 4.12 O ATOM 1236 CB TYR A 80 3.592 5.112 5.355 1.00 74.31 C ATOM 1237 CG TYR A 80 4.511 4.992 6.583 1.00 14.41 C ATOM 1238 CD1 TYR A 80 5.571 5.883 6.772 1.00 13.10 C ATOM 1239 CD2 TYR A 80 4.324 4.003 7.556 1.00 54.14 C ATOM 1240 CE1 TYR A 80 6.395 5.800 7.870 1.00 43.22 C ATOM 1241 CE2 TYR A 80 5.151 3.925 8.660 1.00 3.33 C ATOM 1242 CZ TYR A 80 6.185 4.820 8.809 1.00 11.31 C ATOM 1243 OH TYR A 80 7.008 4.743 9.913 1.00 41.20 O ATOM 0 H TYR A 80 3.026 7.775 6.742 1.00 32.23 H new ATOM 0 HA TYR A 80 1.966 6.257 4.513 1.00 54.44 H new ATOM 0 HB2 TYR A 80 3.112 4.149 5.183 1.00 74.31 H new ATOM 0 HB3 TYR A 80 4.205 5.324 4.479 1.00 74.31 H new ATOM 0 HD1 TYR A 80 5.747 6.655 6.038 1.00 13.10 H new ATOM 0 HD2 TYR A 80 3.521 3.290 7.442 1.00 54.14 H new ATOM 0 HE1 TYR A 80 7.205 6.504 7.994 1.00 43.22 H new ATOM 0 HE2 TYR A 80 4.986 3.162 9.406 1.00 3.33 H new ATOM 0 HH TYR A 80 6.725 3.996 10.481 1.00 41.20 H new ATOM 1253 N ASP A 81 0.431 5.119 6.184 1.00 43.34 N ATOM 1254 CA ASP A 81 -0.553 4.552 7.116 1.00 33.32 C ATOM 1255 C ASP A 81 -0.634 3.052 6.855 1.00 73.13 C ATOM 1256 O ASP A 81 -0.955 2.634 5.736 1.00 23.00 O ATOM 1257 CB ASP A 81 -1.950 5.205 6.932 1.00 73.21 C ATOM 1258 CG ASP A 81 -1.960 6.720 7.209 1.00 72.33 C ATOM 1259 OD1 ASP A 81 -1.834 7.125 8.383 1.00 63.04 O ATOM 1260 OD2 ASP A 81 -2.108 7.512 6.251 1.00 21.21 O ATOM 0 H ASP A 81 0.239 4.895 5.208 1.00 43.34 H new ATOM 0 HA ASP A 81 -0.239 4.749 8.141 1.00 33.32 H new ATOM 0 HB2 ASP A 81 -2.294 5.027 5.913 1.00 73.21 H new ATOM 0 HB3 ASP A 81 -2.661 4.717 7.598 1.00 73.21 H new ATOM 1265 N VAL A 82 -0.344 2.247 7.885 1.00 30.44 N ATOM 1266 CA VAL A 82 -0.308 0.788 7.763 1.00 60.14 C ATOM 1267 C VAL A 82 -1.721 0.230 7.987 1.00 41.44 C ATOM 1268 O VAL A 82 -2.194 0.128 9.126 1.00 11.51 O ATOM 1269 CB VAL A 82 0.720 0.146 8.778 1.00 33.34 C ATOM 1270 CG1 VAL A 82 0.802 -1.390 8.602 1.00 64.32 C ATOM 1271 CG2 VAL A 82 2.116 0.807 8.641 1.00 71.32 C ATOM 0 H VAL A 82 -0.129 2.589 8.822 1.00 30.44 H new ATOM 0 HA VAL A 82 0.031 0.527 6.760 1.00 60.14 H new ATOM 0 HB VAL A 82 0.357 0.337 9.788 1.00 33.34 H new ATOM 0 HG11 VAL A 82 1.517 -1.800 9.315 1.00 64.32 H new ATOM 0 HG12 VAL A 82 -0.180 -1.829 8.779 1.00 64.32 H new ATOM 0 HG13 VAL A 82 1.126 -1.623 7.588 1.00 64.32 H new ATOM 0 HG21 VAL A 82 2.806 0.349 9.349 1.00 71.32 H new ATOM 0 HG22 VAL A 82 2.488 0.664 7.627 1.00 71.32 H new ATOM 0 HG23 VAL A 82 2.036 1.874 8.851 1.00 71.32 H new ATOM 1281 N LEU A 83 -2.396 -0.088 6.881 1.00 61.14 N ATOM 1282 CA LEU A 83 -3.715 -0.723 6.897 1.00 23.33 C ATOM 1283 C LEU A 83 -3.521 -2.241 7.008 1.00 13.22 C ATOM 1284 O LEU A 83 -3.289 -2.925 6.010 1.00 23.01 O ATOM 1285 CB LEU A 83 -4.493 -0.335 5.608 1.00 63.13 C ATOM 1286 CG LEU A 83 -5.921 -0.942 5.443 1.00 45.43 C ATOM 1287 CD1 LEU A 83 -6.857 -0.529 6.596 1.00 44.45 C ATOM 1288 CD2 LEU A 83 -6.520 -0.576 4.064 1.00 4.42 C ATOM 0 H LEU A 83 -2.040 0.089 5.942 1.00 61.14 H new ATOM 0 HA LEU A 83 -4.301 -0.383 7.751 1.00 23.33 H new ATOM 0 HB2 LEU A 83 -4.579 0.751 5.576 1.00 63.13 H new ATOM 0 HB3 LEU A 83 -3.895 -0.633 4.747 1.00 63.13 H new ATOM 0 HG LEU A 83 -5.825 -2.027 5.488 1.00 45.43 H new ATOM 0 HD11 LEU A 83 -7.841 -0.973 6.443 1.00 44.45 H new ATOM 0 HD12 LEU A 83 -6.445 -0.879 7.542 1.00 44.45 H new ATOM 0 HD13 LEU A 83 -6.948 0.557 6.619 1.00 44.45 H new ATOM 0 HD21 LEU A 83 -7.515 -1.010 3.973 1.00 4.42 H new ATOM 0 HD22 LEU A 83 -6.587 0.508 3.973 1.00 4.42 H new ATOM 0 HD23 LEU A 83 -5.880 -0.967 3.274 1.00 4.42 H new ATOM 1300 N LYS A 84 -3.581 -2.757 8.241 1.00 54.40 N ATOM 1301 CA LYS A 84 -3.400 -4.186 8.516 1.00 1.43 C ATOM 1302 C LYS A 84 -4.786 -4.828 8.691 1.00 1.32 C ATOM 1303 O LYS A 84 -5.411 -4.692 9.751 1.00 32.32 O ATOM 1304 CB LYS A 84 -2.506 -4.384 9.778 1.00 62.41 C ATOM 1305 CG LYS A 84 -2.102 -5.852 10.059 1.00 32.35 C ATOM 1306 CD LYS A 84 -1.090 -6.424 9.042 1.00 71.52 C ATOM 1307 CE LYS A 84 0.319 -5.817 9.184 1.00 3.24 C ATOM 1308 NZ LYS A 84 0.954 -6.132 10.490 1.00 60.30 N ATOM 0 H LYS A 84 -3.756 -2.196 9.075 1.00 54.40 H new ATOM 0 HA LYS A 84 -2.890 -4.672 7.684 1.00 1.43 H new ATOM 0 HB2 LYS A 84 -1.601 -3.788 9.663 1.00 62.41 H new ATOM 0 HB3 LYS A 84 -3.036 -3.994 10.647 1.00 62.41 H new ATOM 0 HG2 LYS A 84 -1.674 -5.916 11.059 1.00 32.35 H new ATOM 0 HG3 LYS A 84 -2.998 -6.473 10.055 1.00 32.35 H new ATOM 0 HD2 LYS A 84 -1.028 -7.505 9.169 1.00 71.52 H new ATOM 0 HD3 LYS A 84 -1.457 -6.242 8.032 1.00 71.52 H new ATOM 0 HE2 LYS A 84 0.952 -6.189 8.378 1.00 3.24 H new ATOM 0 HE3 LYS A 84 0.257 -4.735 9.067 1.00 3.24 H new ATOM 0 HZ1 LYS A 84 1.954 -5.848 10.467 1.00 60.30 H new ATOM 0 HZ2 LYS A 84 0.464 -5.615 11.248 1.00 60.30 H new ATOM 0 HZ3 LYS A 84 0.889 -7.154 10.670 1.00 60.30 H new ATOM 1322 N SER A 85 -5.266 -5.494 7.628 1.00 53.24 N ATOM 1323 CA SER A 85 -6.600 -6.117 7.589 1.00 43.13 C ATOM 1324 C SER A 85 -6.680 -7.100 6.412 1.00 24.05 C ATOM 1325 O SER A 85 -5.967 -6.950 5.415 1.00 31.14 O ATOM 1326 CB SER A 85 -7.718 -5.036 7.473 1.00 12.53 C ATOM 1327 OG SER A 85 -9.015 -5.620 7.398 1.00 14.20 O ATOM 0 H SER A 85 -4.736 -5.616 6.765 1.00 53.24 H new ATOM 0 HA SER A 85 -6.756 -6.661 8.520 1.00 43.13 H new ATOM 0 HB2 SER A 85 -7.669 -4.369 8.334 1.00 12.53 H new ATOM 0 HB3 SER A 85 -7.543 -4.426 6.587 1.00 12.53 H new ATOM 0 HG SER A 85 -9.104 -6.310 8.088 1.00 14.20 H new ATOM 1333 N THR A 86 -7.540 -8.115 6.552 1.00 22.43 N ATOM 1334 CA THR A 86 -7.812 -9.116 5.505 1.00 40.10 C ATOM 1335 C THR A 86 -9.297 -9.081 5.098 1.00 73.42 C ATOM 1336 O THR A 86 -9.758 -9.938 4.337 1.00 23.43 O ATOM 1337 CB THR A 86 -7.419 -10.545 6.008 1.00 44.21 C ATOM 1338 OG1 THR A 86 -8.136 -10.853 7.220 1.00 3.21 O ATOM 1339 CG2 THR A 86 -5.906 -10.655 6.270 1.00 44.14 C ATOM 0 H THR A 86 -8.076 -8.270 7.406 1.00 22.43 H new ATOM 0 HA THR A 86 -7.209 -8.875 4.629 1.00 40.10 H new ATOM 0 HB THR A 86 -7.685 -11.257 5.226 1.00 44.21 H new ATOM 0 HG1 THR A 86 -7.887 -11.749 7.529 1.00 3.21 H new ATOM 0 HG21 THR A 86 -5.669 -11.660 6.618 1.00 44.14 H new ATOM 0 HG22 THR A 86 -5.361 -10.452 5.348 1.00 44.14 H new ATOM 0 HG23 THR A 86 -5.615 -9.930 7.030 1.00 44.14 H new ATOM 1347 N ASP A 87 -10.039 -8.081 5.607 1.00 24.54 N ATOM 1348 CA ASP A 87 -11.467 -7.893 5.304 1.00 20.35 C ATOM 1349 C ASP A 87 -11.592 -7.133 3.967 1.00 1.31 C ATOM 1350 O ASP A 87 -11.148 -5.987 3.899 1.00 64.21 O ATOM 1351 CB ASP A 87 -12.159 -7.101 6.444 1.00 32.43 C ATOM 1352 CG ASP A 87 -12.031 -7.782 7.813 1.00 44.43 C ATOM 1353 OD1 ASP A 87 -10.961 -7.665 8.454 1.00 30.13 O ATOM 1354 OD2 ASP A 87 -12.997 -8.440 8.258 1.00 43.32 O ATOM 0 H ASP A 87 -9.662 -7.378 6.243 1.00 24.54 H new ATOM 0 HA ASP A 87 -11.958 -8.863 5.222 1.00 20.35 H new ATOM 0 HB2 ASP A 87 -11.726 -6.102 6.500 1.00 32.43 H new ATOM 0 HB3 ASP A 87 -13.215 -6.977 6.204 1.00 32.43 H new ATOM 1359 N PRO A 88 -12.183 -7.747 2.889 1.00 2.20 N ATOM 1360 CA PRO A 88 -12.272 -7.112 1.545 1.00 43.22 C ATOM 1361 C PRO A 88 -12.967 -5.737 1.585 1.00 13.22 C ATOM 1362 O PRO A 88 -12.446 -4.750 1.053 1.00 15.21 O ATOM 1363 CB PRO A 88 -13.087 -8.126 0.703 1.00 13.52 C ATOM 1364 CG PRO A 88 -12.935 -9.433 1.421 1.00 32.31 C ATOM 1365 CD PRO A 88 -12.811 -9.095 2.893 1.00 71.22 C ATOM 0 HA PRO A 88 -11.285 -6.909 1.130 1.00 43.22 H new ATOM 0 HB2 PRO A 88 -14.134 -7.832 0.635 1.00 13.52 H new ATOM 0 HB3 PRO A 88 -12.707 -8.189 -0.317 1.00 13.52 H new ATOM 0 HG2 PRO A 88 -13.795 -10.078 1.241 1.00 32.31 H new ATOM 0 HG3 PRO A 88 -12.054 -9.970 1.069 1.00 32.31 H new ATOM 0 HD2 PRO A 88 -13.783 -9.083 3.385 1.00 71.22 H new ATOM 0 HD3 PRO A 88 -12.195 -9.823 3.421 1.00 71.22 H new ATOM 1373 N GLU A 89 -14.131 -5.706 2.260 1.00 32.22 N ATOM 1374 CA GLU A 89 -14.959 -4.493 2.426 1.00 13.32 C ATOM 1375 C GLU A 89 -14.178 -3.351 3.113 1.00 10.14 C ATOM 1376 O GLU A 89 -14.268 -2.191 2.687 1.00 61.30 O ATOM 1377 CB GLU A 89 -16.249 -4.840 3.222 1.00 70.12 C ATOM 1378 CG GLU A 89 -16.009 -5.484 4.608 1.00 70.50 C ATOM 1379 CD GLU A 89 -17.312 -5.880 5.321 1.00 24.54 C ATOM 1380 OE1 GLU A 89 -17.930 -5.011 5.974 1.00 33.53 O ATOM 1381 OE2 GLU A 89 -17.728 -7.057 5.227 1.00 15.22 O ATOM 0 H GLU A 89 -14.529 -6.530 2.711 1.00 32.22 H new ATOM 0 HA GLU A 89 -15.236 -4.135 1.434 1.00 13.32 H new ATOM 0 HB2 GLU A 89 -16.830 -3.928 3.358 1.00 70.12 H new ATOM 0 HB3 GLU A 89 -16.856 -5.519 2.623 1.00 70.12 H new ATOM 0 HG2 GLU A 89 -15.384 -6.369 4.488 1.00 70.50 H new ATOM 0 HG3 GLU A 89 -15.456 -4.786 5.236 1.00 70.50 H new ATOM 1388 N GLU A 90 -13.377 -3.713 4.142 1.00 43.21 N ATOM 1389 CA GLU A 90 -12.578 -2.752 4.920 1.00 41.43 C ATOM 1390 C GLU A 90 -11.481 -2.152 4.035 1.00 42.45 C ATOM 1391 O GLU A 90 -11.437 -0.941 3.844 1.00 60.25 O ATOM 1392 CB GLU A 90 -11.954 -3.430 6.180 1.00 43.52 C ATOM 1393 CG GLU A 90 -11.061 -2.517 7.072 1.00 14.21 C ATOM 1394 CD GLU A 90 -11.815 -1.466 7.926 1.00 1.43 C ATOM 1395 OE1 GLU A 90 -12.832 -0.892 7.474 1.00 61.02 O ATOM 1396 OE2 GLU A 90 -11.364 -1.171 9.060 1.00 64.02 O ATOM 0 H GLU A 90 -13.270 -4.679 4.452 1.00 43.21 H new ATOM 0 HA GLU A 90 -13.236 -1.954 5.263 1.00 41.43 H new ATOM 0 HB2 GLU A 90 -12.763 -3.826 6.794 1.00 43.52 H new ATOM 0 HB3 GLU A 90 -11.357 -4.281 5.853 1.00 43.52 H new ATOM 0 HG2 GLU A 90 -10.479 -3.151 7.741 1.00 14.21 H new ATOM 0 HG3 GLU A 90 -10.352 -1.995 6.430 1.00 14.21 H new ATOM 1403 N LEU A 91 -10.648 -3.037 3.449 1.00 13.23 N ATOM 1404 CA LEU A 91 -9.501 -2.647 2.605 1.00 74.03 C ATOM 1405 C LEU A 91 -9.944 -1.732 1.434 1.00 64.13 C ATOM 1406 O LEU A 91 -9.272 -0.748 1.128 1.00 51.02 O ATOM 1407 CB LEU A 91 -8.773 -3.913 2.058 1.00 4.12 C ATOM 1408 CG LEU A 91 -8.155 -4.894 3.110 1.00 53.12 C ATOM 1409 CD1 LEU A 91 -7.554 -6.150 2.428 1.00 61.55 C ATOM 1410 CD2 LEU A 91 -7.103 -4.189 3.987 1.00 25.53 C ATOM 0 H LEU A 91 -10.753 -4.047 3.549 1.00 13.23 H new ATOM 0 HA LEU A 91 -8.807 -2.081 3.227 1.00 74.03 H new ATOM 0 HB2 LEU A 91 -9.482 -4.474 1.449 1.00 4.12 H new ATOM 0 HB3 LEU A 91 -7.974 -3.583 1.394 1.00 4.12 H new ATOM 0 HG LEU A 91 -8.965 -5.223 3.761 1.00 53.12 H new ATOM 0 HD11 LEU A 91 -7.133 -6.810 3.187 1.00 61.55 H new ATOM 0 HD12 LEU A 91 -8.336 -6.677 1.882 1.00 61.55 H new ATOM 0 HD13 LEU A 91 -6.769 -5.847 1.735 1.00 61.55 H new ATOM 0 HD21 LEU A 91 -6.694 -4.899 4.706 1.00 25.53 H new ATOM 0 HD22 LEU A 91 -6.300 -3.808 3.356 1.00 25.53 H new ATOM 0 HD23 LEU A 91 -7.570 -3.361 4.520 1.00 25.53 H new ATOM 1422 N THR A 92 -11.106 -2.063 0.823 1.00 13.12 N ATOM 1423 CA THR A 92 -11.668 -1.330 -0.338 1.00 51.20 C ATOM 1424 C THR A 92 -12.128 0.092 0.047 1.00 14.54 C ATOM 1425 O THR A 92 -11.787 1.073 -0.641 1.00 2.20 O ATOM 1426 CB THR A 92 -12.867 -2.122 -0.980 1.00 12.12 C ATOM 1427 OG1 THR A 92 -12.419 -3.417 -1.424 1.00 34.42 O ATOM 1428 CG2 THR A 92 -13.506 -1.380 -2.174 1.00 0.22 C ATOM 0 H THR A 92 -11.683 -2.849 1.122 1.00 13.12 H new ATOM 0 HA THR A 92 -10.867 -1.241 -1.072 1.00 51.20 H new ATOM 0 HB THR A 92 -13.626 -2.220 -0.204 1.00 12.12 H new ATOM 0 HG1 THR A 92 -12.369 -4.026 -0.658 1.00 34.42 H new ATOM 0 HG21 THR A 92 -14.327 -1.975 -2.575 1.00 0.22 H new ATOM 0 HG22 THR A 92 -13.887 -0.414 -1.841 1.00 0.22 H new ATOM 0 HG23 THR A 92 -12.756 -1.226 -2.950 1.00 0.22 H new ATOM 1436 N GLN A 93 -12.900 0.200 1.147 1.00 52.33 N ATOM 1437 CA GLN A 93 -13.492 1.484 1.558 1.00 22.33 C ATOM 1438 C GLN A 93 -12.402 2.437 2.080 1.00 25.34 C ATOM 1439 O GLN A 93 -12.468 3.639 1.836 1.00 14.53 O ATOM 1440 CB GLN A 93 -14.658 1.255 2.574 1.00 31.11 C ATOM 1441 CG GLN A 93 -14.274 0.899 4.039 1.00 21.21 C ATOM 1442 CD GLN A 93 -14.232 2.118 4.982 1.00 62.12 C ATOM 1443 OE1 GLN A 93 -13.206 2.768 5.151 1.00 51.11 O ATOM 1444 NE2 GLN A 93 -15.362 2.449 5.579 1.00 62.43 N ATOM 0 H GLN A 93 -13.126 -0.582 1.762 1.00 52.33 H new ATOM 0 HA GLN A 93 -13.937 1.972 0.691 1.00 22.33 H new ATOM 0 HB2 GLN A 93 -15.267 2.158 2.596 1.00 31.11 H new ATOM 0 HB3 GLN A 93 -15.289 0.454 2.187 1.00 31.11 H new ATOM 0 HG2 GLN A 93 -14.990 0.175 4.427 1.00 21.21 H new ATOM 0 HG3 GLN A 93 -13.298 0.415 4.042 1.00 21.21 H new ATOM 0 HE21 GLN A 93 -16.203 1.893 5.423 1.00 62.43 H new ATOM 0 HE22 GLN A 93 -15.394 3.261 6.196 1.00 62.43 H new ATOM 1453 N ARG A 94 -11.358 1.874 2.730 1.00 61.44 N ATOM 1454 CA ARG A 94 -10.211 2.654 3.243 1.00 75.51 C ATOM 1455 C ARG A 94 -9.380 3.277 2.103 1.00 60.45 C ATOM 1456 O ARG A 94 -8.663 4.251 2.343 1.00 52.20 O ATOM 1457 CB ARG A 94 -9.296 1.789 4.152 1.00 22.23 C ATOM 1458 CG ARG A 94 -9.965 1.252 5.437 1.00 30.35 C ATOM 1459 CD ARG A 94 -10.352 2.336 6.457 1.00 62.21 C ATOM 1460 NE ARG A 94 -11.109 1.743 7.573 1.00 75.21 N ATOM 1461 CZ ARG A 94 -11.979 2.378 8.370 1.00 12.03 C ATOM 1462 NH1 ARG A 94 -12.252 3.672 8.217 1.00 42.33 N ATOM 1463 NH2 ARG A 94 -12.606 1.686 9.305 1.00 3.44 N ATOM 0 H ARG A 94 -11.288 0.873 2.912 1.00 61.44 H new ATOM 0 HA ARG A 94 -10.631 3.464 3.839 1.00 75.51 H new ATOM 0 HB2 ARG A 94 -8.929 0.943 3.571 1.00 22.23 H new ATOM 0 HB3 ARG A 94 -8.426 2.382 4.435 1.00 22.23 H new ATOM 0 HG2 ARG A 94 -10.861 0.696 5.160 1.00 30.35 H new ATOM 0 HG3 ARG A 94 -9.287 0.546 5.916 1.00 30.35 H new ATOM 0 HD2 ARG A 94 -9.455 2.824 6.837 1.00 62.21 H new ATOM 0 HD3 ARG A 94 -10.952 3.105 5.970 1.00 62.21 H new ATOM 0 HE ARG A 94 -10.956 0.752 7.757 1.00 75.21 H new ATOM 0 HH11 ARG A 94 -11.794 4.206 7.478 1.00 42.33 H new ATOM 0 HH12 ARG A 94 -12.919 4.130 8.839 1.00 42.33 H new ATOM 0 HH21 ARG A 94 -12.424 0.688 9.409 1.00 3.44 H new ATOM 0 HH22 ARG A 94 -13.272 2.150 9.922 1.00 3.44 H new ATOM 1477 N VAL A 95 -9.456 2.699 0.874 1.00 52.53 N ATOM 1478 CA VAL A 95 -8.794 3.286 -0.314 1.00 1.24 C ATOM 1479 C VAL A 95 -9.394 4.683 -0.597 1.00 1.10 C ATOM 1480 O VAL A 95 -8.672 5.673 -0.546 1.00 2.34 O ATOM 1481 CB VAL A 95 -8.883 2.376 -1.609 1.00 1.55 C ATOM 1482 CG1 VAL A 95 -8.196 3.048 -2.826 1.00 15.35 C ATOM 1483 CG2 VAL A 95 -8.282 0.969 -1.367 1.00 21.22 C ATOM 0 H VAL A 95 -9.965 1.835 0.685 1.00 52.53 H new ATOM 0 HA VAL A 95 -7.733 3.366 -0.078 1.00 1.24 H new ATOM 0 HB VAL A 95 -9.943 2.258 -1.834 1.00 1.55 H new ATOM 0 HG11 VAL A 95 -8.277 2.396 -3.695 1.00 15.35 H new ATOM 0 HG12 VAL A 95 -8.684 3.999 -3.040 1.00 15.35 H new ATOM 0 HG13 VAL A 95 -7.144 3.222 -2.600 1.00 15.35 H new ATOM 0 HG21 VAL A 95 -8.363 0.377 -2.279 1.00 21.22 H new ATOM 0 HG22 VAL A 95 -7.233 1.065 -1.088 1.00 21.22 H new ATOM 0 HG23 VAL A 95 -8.827 0.474 -0.563 1.00 21.22 H new ATOM 1493 N ARG A 96 -10.733 4.760 -0.819 1.00 55.43 N ATOM 1494 CA ARG A 96 -11.412 6.052 -1.132 1.00 41.41 C ATOM 1495 C ARG A 96 -11.362 7.025 0.054 1.00 0.40 C ATOM 1496 O ARG A 96 -11.227 8.240 -0.148 1.00 72.05 O ATOM 1497 CB ARG A 96 -12.884 5.859 -1.602 1.00 63.33 C ATOM 1498 CG ARG A 96 -13.804 5.072 -0.640 1.00 62.54 C ATOM 1499 CD ARG A 96 -15.248 4.936 -1.168 1.00 32.15 C ATOM 1500 NE ARG A 96 -15.299 4.309 -2.505 1.00 42.33 N ATOM 1501 CZ ARG A 96 -16.326 3.588 -3.005 1.00 44.31 C ATOM 1502 NH1 ARG A 96 -17.436 3.374 -2.297 1.00 43.33 N ATOM 1503 NH2 ARG A 96 -16.232 3.094 -4.237 1.00 74.42 N ATOM 0 H ARG A 96 -11.359 3.955 -0.788 1.00 55.43 H new ATOM 0 HA ARG A 96 -10.854 6.485 -1.962 1.00 41.41 H new ATOM 0 HB2 ARG A 96 -13.323 6.842 -1.770 1.00 63.33 H new ATOM 0 HB3 ARG A 96 -12.873 5.346 -2.564 1.00 63.33 H new ATOM 0 HG2 ARG A 96 -13.387 4.078 -0.478 1.00 62.54 H new ATOM 0 HG3 ARG A 96 -13.822 5.572 0.328 1.00 62.54 H new ATOM 0 HD2 ARG A 96 -15.834 4.341 -0.468 1.00 32.15 H new ATOM 0 HD3 ARG A 96 -15.710 5.922 -1.214 1.00 32.15 H new ATOM 0 HE ARG A 96 -14.484 4.432 -3.106 1.00 42.33 H new ATOM 0 HH11 ARG A 96 -17.523 3.758 -1.356 1.00 43.33 H new ATOM 0 HH12 ARG A 96 -18.198 2.826 -2.696 1.00 43.33 H new ATOM 0 HH21 ARG A 96 -15.392 3.262 -4.791 1.00 74.42 H new ATOM 0 HH22 ARG A 96 -17.000 2.548 -4.627 1.00 74.42 H new ATOM 1517 N GLU A 97 -11.458 6.482 1.286 1.00 72.12 N ATOM 1518 CA GLU A 97 -11.352 7.281 2.517 1.00 12.14 C ATOM 1519 C GLU A 97 -9.966 7.942 2.613 1.00 20.24 C ATOM 1520 O GLU A 97 -9.861 9.121 2.972 1.00 74.51 O ATOM 1521 CB GLU A 97 -11.642 6.417 3.776 1.00 73.41 C ATOM 1522 CG GLU A 97 -13.097 5.914 3.881 1.00 24.52 C ATOM 1523 CD GLU A 97 -14.142 7.042 3.825 1.00 2.04 C ATOM 1524 OE1 GLU A 97 -14.243 7.814 4.806 1.00 25.22 O ATOM 1525 OE2 GLU A 97 -14.850 7.180 2.795 1.00 20.05 O ATOM 0 H GLU A 97 -11.610 5.487 1.451 1.00 72.12 H new ATOM 0 HA GLU A 97 -12.106 8.067 2.475 1.00 12.14 H new ATOM 0 HB2 GLU A 97 -10.972 5.557 3.774 1.00 73.41 H new ATOM 0 HB3 GLU A 97 -11.407 7.002 4.665 1.00 73.41 H new ATOM 0 HG2 GLU A 97 -13.289 5.211 3.071 1.00 24.52 H new ATOM 0 HG3 GLU A 97 -13.217 5.365 4.815 1.00 24.52 H new ATOM 1532 N PHE A 98 -8.912 7.175 2.247 1.00 32.23 N ATOM 1533 CA PHE A 98 -7.531 7.678 2.222 1.00 4.51 C ATOM 1534 C PHE A 98 -7.396 8.792 1.174 1.00 2.32 C ATOM 1535 O PHE A 98 -7.080 9.914 1.523 1.00 41.22 O ATOM 1536 CB PHE A 98 -6.490 6.554 1.932 1.00 35.13 C ATOM 1537 CG PHE A 98 -5.048 7.075 1.886 1.00 10.40 C ATOM 1538 CD1 PHE A 98 -4.390 7.435 3.061 1.00 41.44 C ATOM 1539 CD2 PHE A 98 -4.371 7.250 0.675 1.00 74.12 C ATOM 1540 CE1 PHE A 98 -3.115 7.958 3.030 1.00 61.32 C ATOM 1541 CE2 PHE A 98 -3.091 7.766 0.652 1.00 43.21 C ATOM 1542 CZ PHE A 98 -2.468 8.118 1.829 1.00 13.52 C ATOM 0 H PHE A 98 -9.000 6.199 1.964 1.00 32.23 H new ATOM 0 HA PHE A 98 -7.316 8.072 3.215 1.00 4.51 H new ATOM 0 HB2 PHE A 98 -6.569 5.785 2.701 1.00 35.13 H new ATOM 0 HB3 PHE A 98 -6.730 6.080 0.981 1.00 35.13 H new ATOM 0 HD1 PHE A 98 -4.887 7.302 4.011 1.00 41.44 H new ATOM 0 HD2 PHE A 98 -4.855 6.979 -0.252 1.00 74.12 H new ATOM 0 HE1 PHE A 98 -2.625 8.242 3.950 1.00 61.32 H new ATOM 0 HE2 PHE A 98 -2.578 7.894 -0.290 1.00 43.21 H new ATOM 0 HZ PHE A 98 -1.466 8.522 1.807 1.00 13.52 H new ATOM 1552 N LEU A 99 -7.695 8.459 -0.101 1.00 32.31 N ATOM 1553 CA LEU A 99 -7.471 9.356 -1.265 1.00 20.25 C ATOM 1554 C LEU A 99 -8.186 10.714 -1.101 1.00 30.13 C ATOM 1555 O LEU A 99 -7.689 11.752 -1.562 1.00 32.33 O ATOM 1556 CB LEU A 99 -7.955 8.668 -2.576 1.00 32.12 C ATOM 1557 CG LEU A 99 -7.355 7.260 -2.879 1.00 62.23 C ATOM 1558 CD1 LEU A 99 -7.913 6.681 -4.199 1.00 15.41 C ATOM 1559 CD2 LEU A 99 -5.812 7.287 -2.861 1.00 3.14 C ATOM 0 H LEU A 99 -8.100 7.558 -0.357 1.00 32.31 H new ATOM 0 HA LEU A 99 -6.399 9.548 -1.320 1.00 20.25 H new ATOM 0 HB2 LEU A 99 -9.040 8.576 -2.534 1.00 32.12 H new ATOM 0 HB3 LEU A 99 -7.724 9.326 -3.414 1.00 32.12 H new ATOM 0 HG LEU A 99 -7.668 6.588 -2.080 1.00 62.23 H new ATOM 0 HD11 LEU A 99 -7.474 5.700 -4.380 1.00 15.41 H new ATOM 0 HD12 LEU A 99 -8.996 6.586 -4.126 1.00 15.41 H new ATOM 0 HD13 LEU A 99 -7.662 7.348 -5.024 1.00 15.41 H new ATOM 0 HD21 LEU A 99 -5.428 6.290 -3.076 1.00 3.14 H new ATOM 0 HD22 LEU A 99 -5.451 7.985 -3.616 1.00 3.14 H new ATOM 0 HD23 LEU A 99 -5.465 7.605 -1.878 1.00 3.14 H new ATOM 1571 N LYS A 100 -9.351 10.679 -0.433 1.00 63.34 N ATOM 1572 CA LYS A 100 -10.182 11.863 -0.195 1.00 3.22 C ATOM 1573 C LYS A 100 -9.643 12.717 0.979 1.00 73.02 C ATOM 1574 O LYS A 100 -9.597 13.942 0.867 1.00 53.41 O ATOM 1575 CB LYS A 100 -11.657 11.435 0.047 1.00 52.21 C ATOM 1576 CG LYS A 100 -12.606 12.590 0.415 1.00 1.30 C ATOM 1577 CD LYS A 100 -14.080 12.150 0.563 1.00 43.34 C ATOM 1578 CE LYS A 100 -14.914 13.185 1.333 1.00 45.13 C ATOM 1579 NZ LYS A 100 -14.358 13.426 2.696 1.00 35.43 N ATOM 0 H LYS A 100 -9.742 9.822 -0.042 1.00 63.34 H new ATOM 0 HA LYS A 100 -10.142 12.492 -1.084 1.00 3.22 H new ATOM 0 HB2 LYS A 100 -12.032 10.946 -0.852 1.00 52.21 H new ATOM 0 HB3 LYS A 100 -11.680 10.694 0.846 1.00 52.21 H new ATOM 0 HG2 LYS A 100 -12.273 13.040 1.350 1.00 1.30 H new ATOM 0 HG3 LYS A 100 -12.540 13.362 -0.351 1.00 1.30 H new ATOM 0 HD2 LYS A 100 -14.514 11.997 -0.425 1.00 43.34 H new ATOM 0 HD3 LYS A 100 -14.122 11.192 1.081 1.00 43.34 H new ATOM 0 HE2 LYS A 100 -14.937 14.122 0.777 1.00 45.13 H new ATOM 0 HE3 LYS A 100 -15.944 12.837 1.415 1.00 45.13 H new ATOM 0 HZ1 LYS A 100 -15.114 13.765 3.324 1.00 35.43 H new ATOM 0 HZ2 LYS A 100 -13.966 12.539 3.073 1.00 35.43 H new ATOM 0 HZ3 LYS A 100 -13.606 14.142 2.642 1.00 35.43 H new ATOM 1593 N THR A 101 -9.235 12.075 2.103 1.00 34.01 N ATOM 1594 CA THR A 101 -8.728 12.812 3.299 1.00 52.11 C ATOM 1595 C THR A 101 -7.258 13.262 3.105 1.00 4.05 C ATOM 1596 O THR A 101 -6.800 14.223 3.740 1.00 31.55 O ATOM 1597 CB THR A 101 -8.868 11.975 4.626 1.00 64.22 C ATOM 1598 OG1 THR A 101 -8.716 12.824 5.785 1.00 71.33 O ATOM 1599 CG2 THR A 101 -7.854 10.816 4.722 1.00 21.43 C ATOM 0 H THR A 101 -9.245 11.061 2.211 1.00 34.01 H new ATOM 0 HA THR A 101 -9.355 13.698 3.400 1.00 52.11 H new ATOM 0 HB THR A 101 -9.868 11.543 4.600 1.00 64.22 H new ATOM 0 HG1 THR A 101 -8.808 12.286 6.599 1.00 71.33 H new ATOM 0 HG21 THR A 101 -8.003 10.279 5.659 1.00 21.43 H new ATOM 0 HG22 THR A 101 -8.001 10.133 3.885 1.00 21.43 H new ATOM 0 HG23 THR A 101 -6.840 11.216 4.690 1.00 21.43 H new ATOM 1607 N ALA A 102 -6.543 12.549 2.224 1.00 5.11 N ATOM 1608 CA ALA A 102 -5.130 12.802 1.906 1.00 42.05 C ATOM 1609 C ALA A 102 -5.026 13.920 0.867 1.00 71.45 C ATOM 1610 O ALA A 102 -4.193 14.826 0.982 1.00 21.14 O ATOM 1611 CB ALA A 102 -4.488 11.510 1.389 1.00 43.10 C ATOM 0 H ALA A 102 -6.937 11.766 1.703 1.00 5.11 H new ATOM 0 HA ALA A 102 -4.599 13.121 2.803 1.00 42.05 H new ATOM 0 HB1 ALA A 102 -3.440 11.694 1.152 1.00 43.10 H new ATOM 0 HB2 ALA A 102 -4.557 10.738 2.155 1.00 43.10 H new ATOM 0 HB3 ALA A 102 -5.010 11.178 0.491 1.00 43.10 H new ATOM 1617 N GLY A 103 -5.895 13.820 -0.153 1.00 4.12 N ATOM 1618 CA GLY A 103 -6.075 14.868 -1.150 1.00 14.52 C ATOM 1619 C GLY A 103 -7.247 15.771 -0.798 1.00 44.21 C ATOM 1620 O GLY A 103 -8.006 16.188 -1.683 1.00 44.35 O ATOM 0 H GLY A 103 -6.490 13.005 -0.302 1.00 4.12 H new ATOM 0 HA2 GLY A 103 -5.165 15.463 -1.224 1.00 14.52 H new ATOM 0 HA3 GLY A 103 -6.242 14.417 -2.128 1.00 14.52 H new ATOM 1624 N SER A 104 -7.400 16.071 0.510 1.00 61.13 N ATOM 1625 CA SER A 104 -8.424 16.996 1.006 1.00 72.03 C ATOM 1626 C SER A 104 -7.908 18.429 0.849 1.00 42.34 C ATOM 1627 O SER A 104 -7.412 19.044 1.809 1.00 44.24 O ATOM 1628 CB SER A 104 -8.793 16.676 2.481 1.00 41.35 C ATOM 1629 OG SER A 104 -9.823 17.527 2.971 1.00 14.23 O ATOM 0 H SER A 104 -6.814 15.675 1.245 1.00 61.13 H new ATOM 0 HA SER A 104 -9.338 16.882 0.423 1.00 72.03 H new ATOM 0 HB2 SER A 104 -9.115 15.637 2.557 1.00 41.35 H new ATOM 0 HB3 SER A 104 -7.907 16.782 3.107 1.00 41.35 H new ATOM 0 HG SER A 104 -10.027 17.292 3.900 1.00 14.23 H new ATOM 1635 N LEU A 105 -7.948 18.923 -0.402 1.00 53.12 N ATOM 1636 CA LEU A 105 -7.582 20.298 -0.724 1.00 25.32 C ATOM 1637 C LEU A 105 -8.772 21.204 -0.396 1.00 34.44 C ATOM 1638 O LEU A 105 -9.762 21.261 -1.135 1.00 30.00 O ATOM 1639 CB LEU A 105 -7.118 20.433 -2.211 1.00 33.41 C ATOM 1640 CG LEU A 105 -5.825 19.631 -2.600 1.00 25.04 C ATOM 1641 CD1 LEU A 105 -5.393 19.908 -4.060 1.00 23.04 C ATOM 1642 CD2 LEU A 105 -4.668 19.915 -1.614 1.00 3.23 C ATOM 0 H LEU A 105 -8.236 18.374 -1.212 1.00 53.12 H new ATOM 0 HA LEU A 105 -6.728 20.607 -0.121 1.00 25.32 H new ATOM 0 HB2 LEU A 105 -7.933 20.107 -2.857 1.00 33.41 H new ATOM 0 HB3 LEU A 105 -6.946 21.488 -2.424 1.00 33.41 H new ATOM 0 HG LEU A 105 -6.072 18.572 -2.529 1.00 25.04 H new ATOM 0 HD11 LEU A 105 -4.495 19.334 -4.289 1.00 23.04 H new ATOM 0 HD12 LEU A 105 -6.194 19.614 -4.738 1.00 23.04 H new ATOM 0 HD13 LEU A 105 -5.185 20.971 -4.183 1.00 23.04 H new ATOM 0 HD21 LEU A 105 -3.788 19.345 -1.912 1.00 3.23 H new ATOM 0 HD22 LEU A 105 -4.432 20.979 -1.627 1.00 3.23 H new ATOM 0 HD23 LEU A 105 -4.967 19.622 -0.608 1.00 3.23 H new ATOM 1654 N GLU A 106 -8.657 21.883 0.754 1.00 3.42 N ATOM 1655 CA GLU A 106 -9.691 22.767 1.314 1.00 22.21 C ATOM 1656 C GLU A 106 -9.646 24.171 0.671 1.00 42.22 C ATOM 1657 O GLU A 106 -10.221 25.120 1.215 1.00 31.22 O ATOM 1658 CB GLU A 106 -9.487 22.854 2.850 1.00 72.33 C ATOM 1659 CG GLU A 106 -9.559 21.493 3.580 1.00 61.33 C ATOM 1660 CD GLU A 106 -9.306 21.592 5.096 1.00 14.35 C ATOM 1661 OE1 GLU A 106 -10.038 22.341 5.782 1.00 13.43 O ATOM 1662 OE2 GLU A 106 -8.371 20.928 5.609 1.00 73.03 O ATOM 0 H GLU A 106 -7.821 21.832 1.336 1.00 3.42 H new ATOM 0 HA GLU A 106 -10.675 22.352 1.094 1.00 22.21 H new ATOM 0 HB2 GLU A 106 -8.517 23.310 3.051 1.00 72.33 H new ATOM 0 HB3 GLU A 106 -10.244 23.518 3.268 1.00 72.33 H new ATOM 0 HG2 GLU A 106 -10.541 21.052 3.412 1.00 61.33 H new ATOM 0 HG3 GLU A 106 -8.826 20.816 3.141 1.00 61.33 H new ATOM 1669 N HIS A 107 -8.940 24.281 -0.488 1.00 43.13 N ATOM 1670 CA HIS A 107 -8.817 25.515 -1.299 1.00 33.14 C ATOM 1671 C HIS A 107 -8.011 26.619 -0.569 1.00 73.15 C ATOM 1672 O HIS A 107 -7.934 27.755 -1.045 1.00 21.54 O ATOM 1673 CB HIS A 107 -10.212 26.037 -1.770 1.00 25.34 C ATOM 1674 CG HIS A 107 -10.946 25.128 -2.735 1.00 21.23 C ATOM 1675 ND1 HIS A 107 -11.359 25.537 -3.990 1.00 30.13 N ATOM 1676 CD2 HIS A 107 -11.384 23.846 -2.611 1.00 2.23 C ATOM 1677 CE1 HIS A 107 -12.014 24.558 -4.581 1.00 10.54 C ATOM 1678 NE2 HIS A 107 -12.041 23.524 -3.767 1.00 5.24 N ATOM 0 H HIS A 107 -8.431 23.494 -0.889 1.00 43.13 H new ATOM 0 HA HIS A 107 -8.250 25.249 -2.191 1.00 33.14 H new ATOM 0 HB2 HIS A 107 -10.840 26.192 -0.893 1.00 25.34 H new ATOM 0 HB3 HIS A 107 -10.078 27.010 -2.242 1.00 25.34 H new ATOM 0 HD2 HIS A 107 -11.240 23.201 -1.757 1.00 2.23 H new ATOM 0 HE1 HIS A 107 -12.454 24.597 -5.566 1.00 10.54 H new ATOM 0 HE2 HIS A 107 -12.482 22.626 -3.966 1.00 5.24 H new ATOM 1687 N HIS A 108 -7.382 26.257 0.566 1.00 41.21 N ATOM 1688 CA HIS A 108 -6.596 27.182 1.407 1.00 53.20 C ATOM 1689 C HIS A 108 -5.306 26.485 1.861 1.00 31.54 C ATOM 1690 O HIS A 108 -5.254 25.246 1.954 1.00 12.50 O ATOM 1691 CB HIS A 108 -7.409 27.649 2.656 1.00 24.33 C ATOM 1692 CG HIS A 108 -8.535 28.611 2.362 1.00 23.14 C ATOM 1693 ND1 HIS A 108 -8.415 29.975 2.518 1.00 41.54 N ATOM 1694 CD2 HIS A 108 -9.809 28.403 1.938 1.00 54.12 C ATOM 1695 CE1 HIS A 108 -9.556 30.558 2.207 1.00 63.31 C ATOM 1696 NE2 HIS A 108 -10.418 29.630 1.852 1.00 4.41 N ATOM 0 H HIS A 108 -7.405 25.304 0.929 1.00 41.21 H new ATOM 0 HA HIS A 108 -6.356 28.064 0.813 1.00 53.20 H new ATOM 0 HB2 HIS A 108 -7.822 26.770 3.151 1.00 24.33 H new ATOM 0 HB3 HIS A 108 -6.724 28.120 3.361 1.00 24.33 H new ATOM 0 HD2 HIS A 108 -10.259 27.448 1.711 1.00 54.12 H new ATOM 0 HE1 HIS A 108 -9.750 31.620 2.238 1.00 63.31 H new ATOM 0 HE2 HIS A 108 -11.381 29.795 1.560 1.00 4.41 H new ATOM 1705 N HIS A 109 -4.274 27.293 2.130 1.00 61.43 N ATOM 1706 CA HIS A 109 -3.013 26.829 2.727 1.00 4.20 C ATOM 1707 C HIS A 109 -3.255 26.459 4.206 1.00 63.44 C ATOM 1708 O HIS A 109 -4.160 27.005 4.848 1.00 51.54 O ATOM 1709 CB HIS A 109 -1.937 27.945 2.590 1.00 75.51 C ATOM 1710 CG HIS A 109 -0.566 27.586 3.108 1.00 43.31 C ATOM 1711 ND1 HIS A 109 0.352 26.882 2.363 1.00 3.41 N ATOM 1712 CD2 HIS A 109 0.045 27.839 4.298 1.00 1.01 C ATOM 1713 CE1 HIS A 109 1.453 26.713 3.065 1.00 41.42 C ATOM 1714 NE2 HIS A 109 1.296 27.280 4.240 1.00 54.00 N ATOM 0 H HIS A 109 -4.289 28.295 1.939 1.00 61.43 H new ATOM 0 HA HIS A 109 -2.651 25.941 2.208 1.00 4.20 H new ATOM 0 HB2 HIS A 109 -1.850 28.216 1.538 1.00 75.51 H new ATOM 0 HB3 HIS A 109 -2.287 28.831 3.120 1.00 75.51 H new ATOM 0 HD2 HIS A 109 -0.377 28.379 5.132 1.00 1.01 H new ATOM 0 HE1 HIS A 109 2.339 26.194 2.730 1.00 41.42 H new ATOM 0 HE2 HIS A 109 1.991 27.301 4.987 1.00 54.00 H new ATOM 1723 N HIS A 110 -2.462 25.515 4.727 1.00 33.15 N ATOM 1724 CA HIS A 110 -2.512 25.092 6.143 1.00 12.54 C ATOM 1725 C HIS A 110 -1.098 25.115 6.735 1.00 54.40 C ATOM 1726 O HIS A 110 -0.115 24.930 6.007 1.00 52.13 O ATOM 1727 CB HIS A 110 -3.160 23.687 6.269 1.00 31.10 C ATOM 1728 CG HIS A 110 -4.638 23.685 5.952 1.00 60.53 C ATOM 1729 ND1 HIS A 110 -5.127 23.655 4.665 1.00 72.54 N ATOM 1730 CD2 HIS A 110 -5.731 23.760 6.758 1.00 63.11 C ATOM 1731 CE1 HIS A 110 -6.440 23.720 4.693 1.00 54.01 C ATOM 1732 NE2 HIS A 110 -6.836 23.780 5.944 1.00 42.30 N ATOM 0 H HIS A 110 -1.761 25.016 4.179 1.00 33.15 H new ATOM 0 HA HIS A 110 -3.133 25.788 6.708 1.00 12.54 H new ATOM 0 HB2 HIS A 110 -2.650 22.997 5.598 1.00 31.10 H new ATOM 0 HB3 HIS A 110 -3.011 23.314 7.283 1.00 31.10 H new ATOM 0 HD2 HIS A 110 -5.730 23.797 7.837 1.00 63.11 H new ATOM 0 HE1 HIS A 110 -7.087 23.723 3.828 1.00 54.01 H new ATOM 0 HE2 HIS A 110 -7.805 23.833 6.259 1.00 42.30 H new ATOM 1741 N HIS A 111 -1.004 25.385 8.050 1.00 2.21 N ATOM 1742 CA HIS A 111 0.281 25.418 8.774 1.00 1.35 C ATOM 1743 C HIS A 111 0.825 23.987 8.913 1.00 2.53 C ATOM 1744 O HIS A 111 2.008 23.727 8.664 1.00 35.30 O ATOM 1745 CB HIS A 111 0.119 26.093 10.166 1.00 71.05 C ATOM 1746 CG HIS A 111 1.429 26.371 10.862 1.00 35.22 C ATOM 1747 ND1 HIS A 111 1.738 25.905 12.123 1.00 33.03 N ATOM 1748 CD2 HIS A 111 2.509 27.091 10.466 1.00 73.32 C ATOM 1749 CE1 HIS A 111 2.941 26.322 12.466 1.00 42.43 C ATOM 1750 NE2 HIS A 111 3.427 27.039 11.480 1.00 2.24 N ATOM 0 H HIS A 111 -1.812 25.586 8.639 1.00 2.21 H new ATOM 0 HA HIS A 111 0.995 26.015 8.206 1.00 1.35 H new ATOM 0 HB2 HIS A 111 -0.424 27.030 10.044 1.00 71.05 H new ATOM 0 HB3 HIS A 111 -0.491 25.452 10.802 1.00 71.05 H new ATOM 0 HD2 HIS A 111 2.623 27.609 9.525 1.00 73.32 H new ATOM 0 HE1 HIS A 111 3.441 26.110 13.399 1.00 42.43 H new ATOM 0 HE2 HIS A 111 4.344 27.487 11.471 1.00 2.24 H new ATOM 1759 N HIS A 112 -0.065 23.076 9.318 1.00 20.20 N ATOM 1760 CA HIS A 112 0.201 21.634 9.347 1.00 65.00 C ATOM 1761 C HIS A 112 -0.181 21.032 7.971 1.00 12.31 C ATOM 1762 O HIS A 112 -1.390 21.012 7.648 1.00 55.15 O ATOM 1763 CB HIS A 112 -0.596 20.961 10.500 1.00 52.45 C ATOM 1764 CG HIS A 112 -0.342 19.483 10.627 1.00 42.01 C ATOM 1765 ND1 HIS A 112 0.824 18.977 11.151 1.00 21.52 N ATOM 1766 CD2 HIS A 112 -1.087 18.401 10.273 1.00 4.13 C ATOM 1767 CE1 HIS A 112 0.791 17.666 11.115 1.00 62.40 C ATOM 1768 NE2 HIS A 112 -0.354 17.287 10.588 1.00 31.11 N ATOM 1769 OXT HIS A 112 0.721 20.598 7.224 1.00 37.00 O ATOM 0 H HIS A 112 -1.002 23.322 9.639 1.00 20.20 H new ATOM 0 HA HIS A 112 1.259 21.452 9.534 1.00 65.00 H new ATOM 0 HB2 HIS A 112 -0.338 21.447 11.441 1.00 52.45 H new ATOM 0 HB3 HIS A 112 -1.661 21.125 10.338 1.00 52.45 H new ATOM 0 HD2 HIS A 112 -2.071 18.417 9.828 1.00 4.13 H new ATOM 0 HE1 HIS A 112 1.574 17.007 11.461 1.00 62.40 H new ATOM 0 HE2 HIS A 112 -0.648 16.322 10.439 1.00 31.11 H new TER 1778 HIS A 112