USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 890 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 63 GLN : amide:sc= 0.309 X(o=0.17,f=-0.049) USER MOD Set 1.2: A 67 ASN : amide:sc= -0.143 K(o=0.17,f=-0.61) USER MOD Set 2.1: A 19 GLN :FLIP amide:sc= -0.444 F(o=-4.1,f=-0.36) USER MOD Set 2.2: A 59 ASN : amide:sc= 0.0876 K(o=-0.36,f=-2.6!) USER MOD Set 3.1: A 46 SER OG : rot -26:sc= 0.912 USER MOD Set 3.2: A 50 ASN : amide:sc= 1.25 K(o=2.2,f=-0.51) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 140:sc= 0.00552 (180deg=-0.0139) USER MOD Single : A 3 LYS NZ :NH3+ 140:sc= 0.379 (180deg=0.00241) USER MOD Single : A 9 SER OG : rot -75:sc= 0.179 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.029 K(o=-0.029,f=-1.7!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 71:sc= 0.472 USER MOD Single : A 23 LYS NZ :NH3+ 168:sc= 0.75 (180deg=0.646) USER MOD Single : A 24 HIS : no HD1:sc= -0.0577 X(o=-0.058,f=-0.058) USER MOD Single : A 25 ASN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 26 TYR OH : rot 130:sc= -0.931 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 34:sc= 0.372 USER MOD Single : A 35 THR OG1 : rot 25:sc= 0.165 USER MOD Single : A 36 SER OG : rot -170:sc= 0.174 USER MOD Single : A 37 SER OG : rot 49:sc= 0.0695 USER MOD Single : A 38 GLN : amide:sc= -0.809 X(o=-0.81,f=-0.78) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl 144:sc= -1.2 (180deg=-1.92) USER MOD Single : A 48 LYS NZ :NH3+ 171:sc= 0.713 (180deg=0.625) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0.251 USER MOD Single : A 64 ASN : amide:sc= -0.156 X(o=-0.16,f=0) USER MOD Single : A 70 GLN : amide:sc= -0.538 X(o=-0.54,f=-0.35) USER MOD Single : A 71 ASN :FLIP amide:sc= -0.775 F(o=-1.4,f=-0.78) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 168:sc= 0.621 (180deg=0.448) 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+ 171:sc= 0 (180deg=-0.0725) USER MOD Single : A 85 SER OG : rot -135:sc= 0.507 USER MOD Single : A 86 THR OG1 : rot 48:sc= 0.0874 USER MOD Single : A 92 THR OG1 : rot 84:sc= 0.883 USER MOD Single : A 93 GLN :FLIP amide:sc= -0.104 F(o=-0.82,f=-0.1) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 110 HIS : no HE2:sc= -0.051 K(o=-0.051,f=-0.82) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 112 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.769 2.098 16.480 1.00 33.52 N ATOM 2 CA MET A 1 3.713 2.069 15.453 1.00 4.01 C ATOM 3 C MET A 1 4.301 2.506 14.102 1.00 12.51 C ATOM 4 O MET A 1 5.030 3.499 14.023 1.00 65.34 O ATOM 5 CB MET A 1 2.524 2.983 15.870 1.00 33.05 C ATOM 6 CG MET A 1 2.858 4.480 16.003 1.00 23.13 C ATOM 7 SD MET A 1 1.452 5.457 16.566 1.00 51.54 S ATOM 8 CE MET A 1 2.107 7.119 16.428 1.00 31.32 C ATOM 0 H1 MET A 1 4.379 2.472 17.368 1.00 33.52 H new ATOM 0 H2 MET A 1 5.126 1.134 16.638 1.00 33.52 H new ATOM 0 H3 MET A 1 5.548 2.708 16.160 1.00 33.52 H new ATOM 0 HA MET A 1 3.331 1.053 15.355 1.00 4.01 H new ATOM 0 HB2 MET A 1 1.726 2.870 15.136 1.00 33.05 H new ATOM 0 HB3 MET A 1 2.133 2.629 16.824 1.00 33.05 H new ATOM 0 HG2 MET A 1 3.685 4.603 16.703 1.00 23.13 H new ATOM 0 HG3 MET A 1 3.197 4.860 15.039 1.00 23.13 H new ATOM 0 HE1 MET A 1 1.349 7.836 16.743 1.00 31.32 H new ATOM 0 HE2 MET A 1 2.986 7.218 17.065 1.00 31.32 H new ATOM 0 HE3 MET A 1 2.385 7.316 15.393 1.00 31.32 H new ATOM 20 N GLY A 2 3.995 1.738 13.051 1.00 2.32 N ATOM 21 CA GLY A 2 4.480 2.014 11.698 1.00 23.53 C ATOM 22 C GLY A 2 3.484 2.824 10.890 1.00 50.34 C ATOM 23 O GLY A 2 2.413 3.197 11.397 1.00 12.41 O ATOM 0 H GLY A 2 3.405 0.909 13.116 1.00 2.32 H new ATOM 0 HA2 GLY A 2 5.425 2.554 11.755 1.00 23.53 H new ATOM 0 HA3 GLY A 2 4.681 1.073 11.186 1.00 23.53 H new ATOM 27 N LYS A 3 3.827 3.082 9.621 1.00 21.43 N ATOM 28 CA LYS A 3 2.956 3.808 8.695 1.00 60.02 C ATOM 29 C LYS A 3 3.025 3.169 7.301 1.00 4.40 C ATOM 30 O LYS A 3 4.103 2.835 6.826 1.00 14.14 O ATOM 31 CB LYS A 3 3.341 5.305 8.639 1.00 2.34 C ATOM 32 CG LYS A 3 2.335 6.150 7.842 1.00 24.22 C ATOM 33 CD LYS A 3 2.664 7.654 7.818 1.00 12.51 C ATOM 34 CE LYS A 3 1.556 8.449 7.126 1.00 31.40 C ATOM 35 NZ LYS A 3 1.881 9.888 6.967 1.00 71.42 N ATOM 0 H LYS A 3 4.715 2.793 9.211 1.00 21.43 H new ATOM 0 HA LYS A 3 1.929 3.744 9.055 1.00 60.02 H new ATOM 0 HB2 LYS A 3 3.412 5.695 9.654 1.00 2.34 H new ATOM 0 HB3 LYS A 3 4.329 5.405 8.189 1.00 2.34 H new ATOM 0 HG2 LYS A 3 2.296 5.780 6.817 1.00 24.22 H new ATOM 0 HG3 LYS A 3 1.341 6.012 8.268 1.00 24.22 H new ATOM 0 HD2 LYS A 3 2.794 8.017 8.837 1.00 12.51 H new ATOM 0 HD3 LYS A 3 3.609 7.814 7.299 1.00 12.51 H new ATOM 0 HE2 LYS A 3 1.366 8.016 6.144 1.00 31.40 H new ATOM 0 HE3 LYS A 3 0.635 8.353 7.701 1.00 31.40 H new ATOM 0 HZ1 LYS A 3 1.557 10.216 6.035 1.00 71.42 H new ATOM 0 HZ2 LYS A 3 1.404 10.436 7.712 1.00 71.42 H new ATOM 0 HZ3 LYS A 3 2.910 10.022 7.043 1.00 71.42 H new ATOM 49 N VAL A 4 1.853 3.003 6.661 1.00 4.33 N ATOM 50 CA VAL A 4 1.725 2.351 5.340 1.00 32.33 C ATOM 51 C VAL A 4 1.202 3.361 4.292 1.00 3.42 C ATOM 52 O VAL A 4 0.459 4.283 4.636 1.00 15.13 O ATOM 53 CB VAL A 4 0.732 1.123 5.414 1.00 51.01 C ATOM 54 CG1 VAL A 4 0.707 0.340 4.088 1.00 14.43 C ATOM 55 CG2 VAL A 4 1.056 0.184 6.605 1.00 65.13 C ATOM 0 H VAL A 4 0.962 3.318 7.046 1.00 4.33 H new ATOM 0 HA VAL A 4 2.712 1.995 5.045 1.00 32.33 H new ATOM 0 HB VAL A 4 -0.264 1.532 5.584 1.00 51.01 H new ATOM 0 HG11 VAL A 4 0.015 -0.497 4.173 1.00 14.43 H new ATOM 0 HG12 VAL A 4 0.383 0.999 3.282 1.00 14.43 H new ATOM 0 HG13 VAL A 4 1.706 -0.036 3.869 1.00 14.43 H new ATOM 0 HG21 VAL A 4 0.349 -0.646 6.617 1.00 65.13 H new ATOM 0 HG22 VAL A 4 2.069 -0.204 6.497 1.00 65.13 H new ATOM 0 HG23 VAL A 4 0.978 0.741 7.539 1.00 65.13 H new ATOM 65 N LEU A 5 1.620 3.192 3.025 1.00 54.25 N ATOM 66 CA LEU A 5 1.014 3.883 1.873 1.00 70.44 C ATOM 67 C LEU A 5 0.160 2.870 1.101 1.00 51.00 C ATOM 68 O LEU A 5 0.681 1.874 0.590 1.00 32.30 O ATOM 69 CB LEU A 5 2.088 4.495 0.936 1.00 13.23 C ATOM 70 CG LEU A 5 1.536 5.293 -0.296 1.00 3.43 C ATOM 71 CD1 LEU A 5 0.716 6.524 0.142 1.00 3.23 C ATOM 72 CD2 LEU A 5 2.668 5.692 -1.261 1.00 71.43 C ATOM 0 H LEU A 5 2.389 2.572 2.771 1.00 54.25 H new ATOM 0 HA LEU A 5 0.401 4.707 2.238 1.00 70.44 H new ATOM 0 HB2 LEU A 5 2.721 5.160 1.524 1.00 13.23 H new ATOM 0 HB3 LEU A 5 2.726 3.691 0.569 1.00 13.23 H new ATOM 0 HG LEU A 5 0.861 4.627 -0.834 1.00 3.43 H new ATOM 0 HD11 LEU A 5 0.351 7.051 -0.740 1.00 3.23 H new ATOM 0 HD12 LEU A 5 -0.130 6.201 0.748 1.00 3.23 H new ATOM 0 HD13 LEU A 5 1.347 7.192 0.728 1.00 3.23 H new ATOM 0 HD21 LEU A 5 2.250 6.243 -2.103 1.00 71.43 H new ATOM 0 HD22 LEU A 5 3.388 6.320 -0.737 1.00 71.43 H new ATOM 0 HD23 LEU A 5 3.168 4.795 -1.626 1.00 71.43 H new ATOM 84 N LEU A 6 -1.142 3.129 1.030 1.00 0.12 N ATOM 85 CA LEU A 6 -2.114 2.245 0.386 1.00 1.44 C ATOM 86 C LEU A 6 -2.305 2.698 -1.075 1.00 3.13 C ATOM 87 O LEU A 6 -2.985 3.694 -1.339 1.00 24.12 O ATOM 88 CB LEU A 6 -3.451 2.288 1.181 1.00 34.44 C ATOM 89 CG LEU A 6 -4.547 1.256 0.762 1.00 21.14 C ATOM 90 CD1 LEU A 6 -4.074 -0.192 1.011 1.00 34.22 C ATOM 91 CD2 LEU A 6 -5.885 1.545 1.479 1.00 21.43 C ATOM 0 H LEU A 6 -1.560 3.972 1.424 1.00 0.12 H new ATOM 0 HA LEU A 6 -1.759 1.214 0.382 1.00 1.44 H new ATOM 0 HB2 LEU A 6 -3.225 2.135 2.236 1.00 34.44 H new ATOM 0 HB3 LEU A 6 -3.872 3.289 1.087 1.00 34.44 H new ATOM 0 HG LEU A 6 -4.717 1.365 -0.309 1.00 21.14 H new ATOM 0 HD11 LEU A 6 -4.857 -0.888 0.710 1.00 34.22 H new ATOM 0 HD12 LEU A 6 -3.173 -0.386 0.429 1.00 34.22 H new ATOM 0 HD13 LEU A 6 -3.857 -0.327 2.071 1.00 34.22 H new ATOM 0 HD21 LEU A 6 -6.630 0.812 1.169 1.00 21.43 H new ATOM 0 HD22 LEU A 6 -5.741 1.482 2.558 1.00 21.43 H new ATOM 0 HD23 LEU A 6 -6.230 2.545 1.217 1.00 21.43 H new ATOM 103 N VAL A 7 -1.671 1.975 -2.012 1.00 13.13 N ATOM 104 CA VAL A 7 -1.679 2.315 -3.446 1.00 50.52 C ATOM 105 C VAL A 7 -2.896 1.668 -4.128 1.00 4.43 C ATOM 106 O VAL A 7 -2.951 0.443 -4.314 1.00 61.32 O ATOM 107 CB VAL A 7 -0.350 1.849 -4.151 1.00 42.31 C ATOM 108 CG1 VAL A 7 -0.349 2.179 -5.666 1.00 62.11 C ATOM 109 CG2 VAL A 7 0.880 2.456 -3.443 1.00 42.02 C ATOM 0 H VAL A 7 -1.136 1.134 -1.796 1.00 13.13 H new ATOM 0 HA VAL A 7 -1.745 3.399 -3.540 1.00 50.52 H new ATOM 0 HB VAL A 7 -0.294 0.764 -4.066 1.00 42.31 H new ATOM 0 HG11 VAL A 7 0.586 1.840 -6.112 1.00 62.11 H new ATOM 0 HG12 VAL A 7 -1.185 1.674 -6.149 1.00 62.11 H new ATOM 0 HG13 VAL A 7 -0.447 3.256 -5.804 1.00 62.11 H new ATOM 0 HG21 VAL A 7 1.789 2.123 -3.944 1.00 42.02 H new ATOM 0 HG22 VAL A 7 0.822 3.544 -3.482 1.00 42.02 H new ATOM 0 HG23 VAL A 7 0.899 2.130 -2.403 1.00 42.02 H new ATOM 119 N ILE A 8 -3.880 2.517 -4.450 1.00 54.45 N ATOM 120 CA ILE A 8 -5.123 2.139 -5.134 1.00 33.40 C ATOM 121 C ILE A 8 -5.124 2.738 -6.551 1.00 14.02 C ATOM 122 O ILE A 8 -4.662 3.869 -6.772 1.00 21.14 O ATOM 123 CB ILE A 8 -6.389 2.672 -4.352 1.00 32.15 C ATOM 124 CG1 ILE A 8 -6.364 2.196 -2.870 1.00 35.13 C ATOM 125 CG2 ILE A 8 -7.720 2.264 -5.046 1.00 12.25 C ATOM 126 CD1 ILE A 8 -7.525 2.702 -2.037 1.00 14.40 C ATOM 0 H ILE A 8 -3.832 3.513 -4.236 1.00 54.45 H new ATOM 0 HA ILE A 8 -5.173 1.051 -5.178 1.00 33.40 H new ATOM 0 HB ILE A 8 -6.343 3.761 -4.365 1.00 32.15 H new ATOM 0 HG12 ILE A 8 -6.364 1.106 -2.850 1.00 35.13 H new ATOM 0 HG13 ILE A 8 -5.431 2.523 -2.410 1.00 35.13 H new ATOM 0 HG21 ILE A 8 -8.563 2.652 -4.474 1.00 12.25 H new ATOM 0 HG22 ILE A 8 -7.746 2.677 -6.055 1.00 12.25 H new ATOM 0 HG23 ILE A 8 -7.786 1.177 -5.097 1.00 12.25 H new ATOM 0 HD11 ILE A 8 -7.433 2.326 -1.018 1.00 14.40 H new ATOM 0 HD12 ILE A 8 -7.515 3.792 -2.023 1.00 14.40 H new ATOM 0 HD13 ILE A 8 -8.463 2.353 -2.470 1.00 14.40 H new ATOM 138 N SER A 9 -5.631 1.951 -7.497 1.00 64.45 N ATOM 139 CA SER A 9 -5.948 2.392 -8.857 1.00 53.40 C ATOM 140 C SER A 9 -7.159 1.586 -9.323 1.00 34.54 C ATOM 141 O SER A 9 -7.324 0.427 -8.914 1.00 74.13 O ATOM 142 CB SER A 9 -4.768 2.144 -9.826 1.00 61.44 C ATOM 143 OG SER A 9 -3.545 2.603 -9.299 1.00 14.34 O ATOM 0 H SER A 9 -5.838 0.965 -7.337 1.00 64.45 H new ATOM 0 HA SER A 9 -6.150 3.463 -8.854 1.00 53.40 H new ATOM 0 HB2 SER A 9 -4.693 1.078 -10.040 1.00 61.44 H new ATOM 0 HB3 SER A 9 -4.965 2.646 -10.773 1.00 61.44 H new ATOM 0 HG SER A 9 -3.515 3.581 -9.346 1.00 14.34 H new ATOM 149 N THR A 10 -7.995 2.188 -10.179 1.00 14.01 N ATOM 150 CA THR A 10 -9.099 1.471 -10.830 1.00 4.33 C ATOM 151 C THR A 10 -8.531 0.380 -11.764 1.00 43.53 C ATOM 152 O THR A 10 -9.092 -0.714 -11.882 1.00 21.34 O ATOM 153 CB THR A 10 -9.995 2.460 -11.638 1.00 70.23 C ATOM 154 OG1 THR A 10 -10.355 3.559 -10.792 1.00 65.30 O ATOM 155 CG2 THR A 10 -11.275 1.793 -12.195 1.00 21.02 C ATOM 0 H THR A 10 -7.927 3.172 -10.437 1.00 14.01 H new ATOM 0 HA THR A 10 -9.715 1.001 -10.063 1.00 4.33 H new ATOM 0 HB THR A 10 -9.417 2.802 -12.496 1.00 70.23 H new ATOM 0 HG1 THR A 10 -10.917 4.187 -11.293 1.00 65.30 H new ATOM 0 HG21 THR A 10 -11.858 2.530 -12.748 1.00 21.02 H new ATOM 0 HG22 THR A 10 -10.999 0.975 -12.861 1.00 21.02 H new ATOM 0 HG23 THR A 10 -11.871 1.403 -11.370 1.00 21.02 H new ATOM 163 N ASP A 11 -7.389 0.701 -12.403 1.00 33.12 N ATOM 164 CA ASP A 11 -6.683 -0.209 -13.309 1.00 1.52 C ATOM 165 C ASP A 11 -5.521 -0.891 -12.561 1.00 14.22 C ATOM 166 O ASP A 11 -4.468 -0.285 -12.327 1.00 12.42 O ATOM 167 CB ASP A 11 -6.167 0.557 -14.548 1.00 3.31 C ATOM 168 CG ASP A 11 -7.287 1.308 -15.287 1.00 1.14 C ATOM 169 OD1 ASP A 11 -8.189 0.648 -15.844 1.00 30.30 O ATOM 170 OD2 ASP A 11 -7.278 2.559 -15.304 1.00 21.04 O ATOM 0 H ASP A 11 -6.932 1.607 -12.300 1.00 33.12 H new ATOM 0 HA ASP A 11 -7.374 -0.978 -13.653 1.00 1.52 H new ATOM 0 HB2 ASP A 11 -5.401 1.268 -14.238 1.00 3.31 H new ATOM 0 HB3 ASP A 11 -5.692 -0.145 -15.233 1.00 3.31 H new ATOM 175 N THR A 12 -5.742 -2.165 -12.192 1.00 74.40 N ATOM 176 CA THR A 12 -4.779 -2.998 -11.441 1.00 50.35 C ATOM 177 C THR A 12 -3.496 -3.287 -12.269 1.00 2.00 C ATOM 178 O THR A 12 -2.443 -3.630 -11.713 1.00 33.52 O ATOM 179 CB THR A 12 -5.477 -4.330 -11.002 1.00 74.41 C ATOM 180 OG1 THR A 12 -6.744 -4.019 -10.397 1.00 50.11 O ATOM 181 CG2 THR A 12 -4.631 -5.139 -10.001 1.00 70.53 C ATOM 0 H THR A 12 -6.609 -2.656 -12.410 1.00 74.40 H new ATOM 0 HA THR A 12 -4.463 -2.447 -10.555 1.00 50.35 H new ATOM 0 HB THR A 12 -5.606 -4.942 -11.895 1.00 74.41 H new ATOM 0 HG1 THR A 12 -7.187 -4.848 -10.121 1.00 50.11 H new ATOM 0 HG21 THR A 12 -5.162 -6.052 -9.730 1.00 70.53 H new ATOM 0 HG22 THR A 12 -3.675 -5.397 -10.457 1.00 70.53 H new ATOM 0 HG23 THR A 12 -4.457 -4.542 -9.106 1.00 70.53 H new ATOM 189 N ASN A 13 -3.604 -3.119 -13.601 1.00 12.40 N ATOM 190 CA ASN A 13 -2.466 -3.230 -14.538 1.00 41.21 C ATOM 191 C ASN A 13 -1.448 -2.097 -14.301 1.00 4.32 C ATOM 192 O ASN A 13 -0.235 -2.311 -14.416 1.00 72.31 O ATOM 193 CB ASN A 13 -2.963 -3.207 -16.015 1.00 75.11 C ATOM 194 CG ASN A 13 -3.819 -4.421 -16.411 1.00 74.43 C ATOM 195 OD1 ASN A 13 -4.572 -4.975 -15.607 1.00 3.15 O ATOM 196 ND2 ASN A 13 -3.712 -4.855 -17.662 1.00 23.02 N ATOM 0 H ASN A 13 -4.488 -2.901 -14.061 1.00 12.40 H new ATOM 0 HA ASN A 13 -1.971 -4.183 -14.353 1.00 41.21 H new ATOM 0 HB2 ASN A 13 -3.544 -2.299 -16.177 1.00 75.11 H new ATOM 0 HB3 ASN A 13 -2.098 -3.155 -16.677 1.00 75.11 H new ATOM 0 HD21 ASN A 13 -4.258 -5.659 -17.971 1.00 23.02 H new ATOM 0 HD22 ASN A 13 -3.084 -4.384 -18.313 1.00 23.02 H new ATOM 203 N ILE A 14 -1.954 -0.890 -13.948 1.00 41.20 N ATOM 204 CA ILE A 14 -1.105 0.271 -13.619 1.00 43.03 C ATOM 205 C ILE A 14 -0.395 0.016 -12.274 1.00 11.24 C ATOM 206 O ILE A 14 0.813 0.253 -12.149 1.00 11.41 O ATOM 207 CB ILE A 14 -1.945 1.603 -13.550 1.00 64.32 C ATOM 208 CG1 ILE A 14 -2.635 1.909 -14.919 1.00 63.44 C ATOM 209 CG2 ILE A 14 -1.083 2.797 -13.092 1.00 74.30 C ATOM 210 CD1 ILE A 14 -1.686 2.123 -16.096 1.00 10.41 C ATOM 0 H ILE A 14 -2.954 -0.699 -13.885 1.00 41.20 H new ATOM 0 HA ILE A 14 -0.365 0.393 -14.410 1.00 43.03 H new ATOM 0 HB ILE A 14 -2.725 1.453 -12.804 1.00 64.32 H new ATOM 0 HG12 ILE A 14 -3.307 1.085 -15.161 1.00 63.44 H new ATOM 0 HG13 ILE A 14 -3.252 2.800 -14.805 1.00 63.44 H new ATOM 0 HG21 ILE A 14 -1.697 3.697 -13.057 1.00 74.30 H new ATOM 0 HG22 ILE A 14 -0.679 2.595 -12.100 1.00 74.30 H new ATOM 0 HG23 ILE A 14 -0.263 2.945 -13.795 1.00 74.30 H new ATOM 0 HD11 ILE A 14 -2.264 2.328 -16.997 1.00 10.41 H new ATOM 0 HD12 ILE A 14 -1.030 2.968 -15.886 1.00 10.41 H new ATOM 0 HD13 ILE A 14 -1.085 1.226 -16.247 1.00 10.41 H new ATOM 222 N ILE A 15 -1.175 -0.515 -11.300 1.00 41.44 N ATOM 223 CA ILE A 15 -0.661 -0.949 -9.984 1.00 53.01 C ATOM 224 C ILE A 15 0.505 -1.933 -10.171 1.00 42.32 C ATOM 225 O ILE A 15 1.544 -1.770 -9.550 1.00 34.01 O ATOM 226 CB ILE A 15 -1.794 -1.622 -9.109 1.00 62.42 C ATOM 227 CG1 ILE A 15 -2.867 -0.574 -8.707 1.00 72.02 C ATOM 228 CG2 ILE A 15 -1.231 -2.351 -7.858 1.00 54.24 C ATOM 229 CD1 ILE A 15 -4.011 -1.108 -7.867 1.00 25.32 C ATOM 0 H ILE A 15 -2.180 -0.653 -11.409 1.00 41.44 H new ATOM 0 HA ILE A 15 -0.310 -0.062 -9.457 1.00 53.01 H new ATOM 0 HB ILE A 15 -2.264 -2.386 -9.728 1.00 62.42 H new ATOM 0 HG12 ILE A 15 -2.378 0.230 -8.156 1.00 72.02 H new ATOM 0 HG13 ILE A 15 -3.279 -0.134 -9.615 1.00 72.02 H new ATOM 0 HG21 ILE A 15 -2.052 -2.794 -7.295 1.00 54.24 H new ATOM 0 HG22 ILE A 15 -0.542 -3.135 -8.173 1.00 54.24 H new ATOM 0 HG23 ILE A 15 -0.703 -1.636 -7.227 1.00 54.24 H new ATOM 0 HD11 ILE A 15 -4.705 -0.298 -7.640 1.00 25.32 H new ATOM 0 HD12 ILE A 15 -4.534 -1.890 -8.419 1.00 25.32 H new ATOM 0 HD13 ILE A 15 -3.618 -1.521 -6.938 1.00 25.32 H new ATOM 241 N SER A 16 0.318 -2.905 -11.088 1.00 24.10 N ATOM 242 CA SER A 16 1.289 -3.977 -11.349 1.00 52.24 C ATOM 243 C SER A 16 2.592 -3.420 -11.959 1.00 32.34 C ATOM 244 O SER A 16 3.667 -3.902 -11.627 1.00 54.51 O ATOM 245 CB SER A 16 0.665 -5.057 -12.265 1.00 31.15 C ATOM 246 OG SER A 16 1.503 -6.203 -12.369 1.00 12.12 O ATOM 0 H SER A 16 -0.518 -2.964 -11.670 1.00 24.10 H new ATOM 0 HA SER A 16 1.547 -4.439 -10.396 1.00 52.24 H new ATOM 0 HB2 SER A 16 -0.308 -5.351 -11.871 1.00 31.15 H new ATOM 0 HB3 SER A 16 0.494 -4.639 -13.257 1.00 31.15 H new ATOM 0 HG SER A 16 1.079 -6.866 -12.953 1.00 12.12 H new ATOM 252 N SER A 17 2.484 -2.405 -12.843 1.00 60.35 N ATOM 253 CA SER A 17 3.661 -1.720 -13.427 1.00 42.05 C ATOM 254 C SER A 17 4.536 -1.076 -12.318 1.00 4.01 C ATOM 255 O SER A 17 5.743 -1.323 -12.228 1.00 43.02 O ATOM 256 CB SER A 17 3.190 -0.647 -14.429 1.00 14.00 C ATOM 257 OG SER A 17 2.348 -1.212 -15.421 1.00 3.14 O ATOM 0 H SER A 17 1.590 -2.039 -13.170 1.00 60.35 H new ATOM 0 HA SER A 17 4.271 -2.458 -13.949 1.00 42.05 H new ATOM 0 HB2 SER A 17 2.655 0.141 -13.899 1.00 14.00 H new ATOM 0 HB3 SER A 17 4.055 -0.182 -14.903 1.00 14.00 H new ATOM 0 HG SER A 17 1.489 -1.460 -15.019 1.00 3.14 H new ATOM 263 N VAL A 18 3.868 -0.303 -11.447 1.00 12.21 N ATOM 264 CA VAL A 18 4.500 0.431 -10.324 1.00 51.12 C ATOM 265 C VAL A 18 5.010 -0.548 -9.246 1.00 63.32 C ATOM 266 O VAL A 18 6.013 -0.296 -8.573 1.00 44.15 O ATOM 267 CB VAL A 18 3.462 1.422 -9.696 1.00 23.32 C ATOM 268 CG1 VAL A 18 4.077 2.257 -8.549 1.00 21.21 C ATOM 269 CG2 VAL A 18 2.861 2.321 -10.795 1.00 21.12 C ATOM 0 H VAL A 18 2.859 -0.164 -11.498 1.00 12.21 H new ATOM 0 HA VAL A 18 5.353 0.990 -10.709 1.00 51.12 H new ATOM 0 HB VAL A 18 2.659 0.835 -9.251 1.00 23.32 H new ATOM 0 HG11 VAL A 18 3.322 2.930 -8.143 1.00 21.21 H new ATOM 0 HG12 VAL A 18 4.429 1.590 -7.762 1.00 21.21 H new ATOM 0 HG13 VAL A 18 4.914 2.840 -8.932 1.00 21.21 H new ATOM 0 HG21 VAL A 18 2.140 3.007 -10.350 1.00 21.12 H new ATOM 0 HG22 VAL A 18 3.657 2.891 -11.274 1.00 21.12 H new ATOM 0 HG23 VAL A 18 2.360 1.701 -11.539 1.00 21.12 H new ATOM 279 N GLN A 19 4.291 -1.669 -9.132 1.00 64.34 N ATOM 280 CA GLN A 19 4.584 -2.762 -8.201 1.00 71.41 C ATOM 281 C GLN A 19 5.937 -3.379 -8.550 1.00 74.34 C ATOM 282 O GLN A 19 6.808 -3.468 -7.698 1.00 60.40 O ATOM 283 CB GLN A 19 3.446 -3.805 -8.300 1.00 64.30 C ATOM 284 CG GLN A 19 3.500 -4.976 -7.328 1.00 12.33 C ATOM 285 CD GLN A 19 2.306 -5.904 -7.527 1.00 10.52 C ATOM 286 OE1 GLN A 19 1.194 -5.593 -6.883 1.00 11.23 O flip ATOM 287 NE2 GLN A 19 2.362 -6.864 -8.290 1.00 31.44 N flip ATOM 0 H GLN A 19 3.464 -1.846 -9.703 1.00 64.34 H new ATOM 0 HA GLN A 19 4.639 -2.395 -7.176 1.00 71.41 H new ATOM 0 HB2 GLN A 19 2.498 -3.287 -8.156 1.00 64.30 H new ATOM 0 HB3 GLN A 19 3.440 -4.205 -9.314 1.00 64.30 H new ATOM 0 HG2 GLN A 19 4.426 -5.532 -7.473 1.00 12.33 H new ATOM 0 HG3 GLN A 19 3.509 -4.603 -6.304 1.00 12.33 H new ATOM 0 HE21 GLN A 19 3.233 -7.081 -8.774 1.00 31.44 H new ATOM 0 HE22 GLN A 19 1.537 -7.445 -8.440 1.00 31.44 H new ATOM 296 N GLU A 20 6.105 -3.728 -9.845 1.00 50.44 N ATOM 297 CA GLU A 20 7.347 -4.319 -10.364 1.00 1.21 C ATOM 298 C GLU A 20 8.518 -3.326 -10.257 1.00 71.44 C ATOM 299 O GLU A 20 9.639 -3.732 -9.968 1.00 34.42 O ATOM 300 CB GLU A 20 7.165 -4.780 -11.832 1.00 32.33 C ATOM 301 CG GLU A 20 6.089 -5.870 -12.048 1.00 33.53 C ATOM 302 CD GLU A 20 6.349 -7.162 -11.252 1.00 60.42 C ATOM 303 OE1 GLU A 20 7.096 -8.035 -11.747 1.00 30.31 O ATOM 304 OE2 GLU A 20 5.820 -7.303 -10.125 1.00 10.43 O ATOM 0 H GLU A 20 5.382 -3.606 -10.554 1.00 50.44 H new ATOM 0 HA GLU A 20 7.581 -5.191 -9.753 1.00 1.21 H new ATOM 0 HB2 GLU A 20 6.908 -3.912 -12.440 1.00 32.33 H new ATOM 0 HB3 GLU A 20 8.120 -5.156 -12.200 1.00 32.33 H new ATOM 0 HG2 GLU A 20 5.116 -5.469 -11.765 1.00 33.53 H new ATOM 0 HG3 GLU A 20 6.037 -6.112 -13.110 1.00 33.53 H new ATOM 311 N ARG A 21 8.227 -2.020 -10.470 1.00 72.45 N ATOM 312 CA ARG A 21 9.236 -0.945 -10.340 1.00 22.22 C ATOM 313 C ARG A 21 9.796 -0.894 -8.908 1.00 32.11 C ATOM 314 O ARG A 21 11.008 -0.926 -8.702 1.00 52.44 O ATOM 315 CB ARG A 21 8.637 0.444 -10.702 1.00 3.14 C ATOM 316 CG ARG A 21 8.314 0.642 -12.195 1.00 1.11 C ATOM 317 CD ARG A 21 7.718 2.029 -12.478 1.00 23.52 C ATOM 318 NE ARG A 21 7.445 2.247 -13.905 1.00 55.12 N ATOM 319 CZ ARG A 21 7.083 3.422 -14.449 1.00 14.34 C ATOM 320 NH1 ARG A 21 6.929 4.510 -13.692 1.00 64.33 N ATOM 321 NH2 ARG A 21 6.876 3.496 -15.756 1.00 14.52 N ATOM 0 H ARG A 21 7.299 -1.687 -10.733 1.00 72.45 H new ATOM 0 HA ARG A 21 10.041 -1.174 -11.039 1.00 22.22 H new ATOM 0 HB2 ARG A 21 7.724 0.591 -10.125 1.00 3.14 H new ATOM 0 HB3 ARG A 21 9.339 1.218 -10.391 1.00 3.14 H new ATOM 0 HG2 ARG A 21 9.223 0.512 -12.782 1.00 1.11 H new ATOM 0 HG3 ARG A 21 7.612 -0.127 -12.519 1.00 1.11 H new ATOM 0 HD2 ARG A 21 6.793 2.145 -11.913 1.00 23.52 H new ATOM 0 HD3 ARG A 21 8.407 2.796 -12.123 1.00 23.52 H new ATOM 0 HE ARG A 21 7.537 1.446 -14.530 1.00 55.12 H new ATOM 0 HH11 ARG A 21 7.086 4.458 -12.686 1.00 64.33 H new ATOM 0 HH12 ARG A 21 6.654 5.394 -14.120 1.00 64.33 H new ATOM 0 HH21 ARG A 21 6.992 2.667 -16.338 1.00 14.52 H new ATOM 0 HH22 ARG A 21 6.601 4.382 -16.179 1.00 14.52 H new ATOM 335 N ALA A 22 8.876 -0.862 -7.935 1.00 10.14 N ATOM 336 CA ALA A 22 9.207 -0.728 -6.513 1.00 73.22 C ATOM 337 C ALA A 22 9.850 -2.024 -5.967 1.00 72.31 C ATOM 338 O ALA A 22 10.700 -1.971 -5.087 1.00 0.44 O ATOM 339 CB ALA A 22 7.943 -0.332 -5.734 1.00 25.15 C ATOM 0 H ALA A 22 7.874 -0.929 -8.115 1.00 10.14 H new ATOM 0 HA ALA A 22 9.949 0.060 -6.384 1.00 73.22 H new ATOM 0 HB1 ALA A 22 8.184 -0.231 -4.676 1.00 25.15 H new ATOM 0 HB2 ALA A 22 7.565 0.618 -6.112 1.00 25.15 H new ATOM 0 HB3 ALA A 22 7.181 -1.102 -5.861 1.00 25.15 H new ATOM 345 N LYS A 23 9.444 -3.180 -6.522 1.00 61.01 N ATOM 346 CA LYS A 23 10.045 -4.495 -6.195 1.00 62.25 C ATOM 347 C LYS A 23 11.491 -4.594 -6.717 1.00 11.40 C ATOM 348 O LYS A 23 12.311 -5.300 -6.134 1.00 34.10 O ATOM 349 CB LYS A 23 9.179 -5.652 -6.783 1.00 64.34 C ATOM 350 CG LYS A 23 7.842 -5.884 -6.039 1.00 44.50 C ATOM 351 CD LYS A 23 6.862 -6.803 -6.813 1.00 23.44 C ATOM 352 CE LYS A 23 7.391 -8.229 -7.020 1.00 23.41 C ATOM 353 NZ LYS A 23 6.465 -9.057 -7.840 1.00 15.04 N ATOM 0 H LYS A 23 8.692 -3.234 -7.209 1.00 61.01 H new ATOM 0 HA LYS A 23 10.070 -4.589 -5.109 1.00 62.25 H new ATOM 0 HB2 LYS A 23 8.967 -5.436 -7.830 1.00 64.34 H new ATOM 0 HB3 LYS A 23 9.760 -6.574 -6.759 1.00 64.34 H new ATOM 0 HG2 LYS A 23 8.048 -6.324 -5.063 1.00 44.50 H new ATOM 0 HG3 LYS A 23 7.362 -4.922 -5.859 1.00 44.50 H new ATOM 0 HD2 LYS A 23 5.917 -6.850 -6.272 1.00 23.44 H new ATOM 0 HD3 LYS A 23 6.651 -6.358 -7.785 1.00 23.44 H new ATOM 0 HE2 LYS A 23 8.365 -8.186 -7.506 1.00 23.41 H new ATOM 0 HE3 LYS A 23 7.539 -8.704 -6.050 1.00 23.41 H new ATOM 0 HZ1 LYS A 23 6.944 -9.935 -8.125 1.00 15.04 H new ATOM 0 HZ2 LYS A 23 5.620 -9.290 -7.280 1.00 15.04 H new ATOM 0 HZ3 LYS A 23 6.183 -8.525 -8.688 1.00 15.04 H new ATOM 367 N HIS A 24 11.787 -3.916 -7.839 1.00 35.44 N ATOM 368 CA HIS A 24 13.147 -3.905 -8.424 1.00 14.15 C ATOM 369 C HIS A 24 14.036 -2.816 -7.780 1.00 40.02 C ATOM 370 O HIS A 24 15.256 -2.976 -7.711 1.00 75.33 O ATOM 371 CB HIS A 24 13.075 -3.707 -9.962 1.00 52.02 C ATOM 372 CG HIS A 24 12.368 -4.811 -10.709 1.00 34.34 C ATOM 373 ND1 HIS A 24 11.832 -4.636 -11.965 1.00 22.24 N ATOM 374 CD2 HIS A 24 12.089 -6.093 -10.367 1.00 23.43 C ATOM 375 CE1 HIS A 24 11.269 -5.758 -12.365 1.00 43.03 C ATOM 376 NE2 HIS A 24 11.411 -6.653 -11.418 1.00 22.34 N ATOM 0 H HIS A 24 11.105 -3.367 -8.362 1.00 35.44 H new ATOM 0 HA HIS A 24 13.604 -4.872 -8.214 1.00 14.15 H new ATOM 0 HB2 HIS A 24 12.568 -2.764 -10.170 1.00 52.02 H new ATOM 0 HB3 HIS A 24 14.089 -3.616 -10.351 1.00 52.02 H new ATOM 0 HD2 HIS A 24 12.352 -6.581 -9.440 1.00 23.43 H new ATOM 0 HE1 HIS A 24 10.774 -5.914 -13.312 1.00 43.03 H new ATOM 0 HE2 HIS A 24 11.071 -7.614 -11.457 1.00 22.34 H new ATOM 385 N ASN A 25 13.419 -1.709 -7.319 1.00 63.25 N ATOM 386 CA ASN A 25 14.149 -0.550 -6.730 1.00 24.00 C ATOM 387 C ASN A 25 14.384 -0.737 -5.217 1.00 44.13 C ATOM 388 O ASN A 25 15.326 -0.170 -4.655 1.00 75.31 O ATOM 389 CB ASN A 25 13.388 0.786 -7.009 1.00 22.31 C ATOM 390 CG ASN A 25 13.508 1.287 -8.461 1.00 31.20 C ATOM 391 OD1 ASN A 25 13.477 0.390 -9.451 1.00 5.44 O flip ATOM 392 ND2 ASN A 25 13.596 2.493 -8.700 1.00 72.54 N flip ATOM 0 H ASN A 25 12.407 -1.586 -7.341 1.00 63.25 H new ATOM 0 HA ASN A 25 15.125 -0.498 -7.212 1.00 24.00 H new ATOM 0 HB2 ASN A 25 12.334 0.648 -6.770 1.00 22.31 H new ATOM 0 HB3 ASN A 25 13.769 1.556 -6.338 1.00 22.31 H new ATOM 0 HD21 ASN A 25 13.618 3.165 -7.933 1.00 72.54 H new ATOM 0 HD22 ASN A 25 13.646 2.819 -9.665 1.00 72.54 H new ATOM 399 N TYR A 26 13.518 -1.537 -4.580 1.00 13.41 N ATOM 400 CA TYR A 26 13.587 -1.860 -3.136 1.00 25.02 C ATOM 401 C TYR A 26 13.771 -3.383 -2.961 1.00 72.35 C ATOM 402 O TYR A 26 13.511 -4.126 -3.910 1.00 5.42 O ATOM 403 CB TYR A 26 12.295 -1.365 -2.432 1.00 63.54 C ATOM 404 CG TYR A 26 12.093 0.150 -2.520 1.00 21.42 C ATOM 405 CD1 TYR A 26 12.833 1.016 -1.711 1.00 32.11 C ATOM 406 CD2 TYR A 26 11.177 0.714 -3.413 1.00 54.31 C ATOM 407 CE1 TYR A 26 12.659 2.380 -1.790 1.00 24.31 C ATOM 408 CE2 TYR A 26 11.005 2.074 -3.495 1.00 71.03 C ATOM 409 CZ TYR A 26 11.748 2.899 -2.682 1.00 40.41 C ATOM 410 OH TYR A 26 11.552 4.248 -2.736 1.00 11.23 O ATOM 0 H TYR A 26 12.736 -1.988 -5.055 1.00 13.41 H new ATOM 0 HA TYR A 26 14.439 -1.356 -2.679 1.00 25.02 H new ATOM 0 HB2 TYR A 26 11.434 -1.865 -2.877 1.00 63.54 H new ATOM 0 HB3 TYR A 26 12.327 -1.659 -1.383 1.00 63.54 H new ATOM 0 HD1 TYR A 26 13.551 0.610 -1.014 1.00 32.11 H new ATOM 0 HD2 TYR A 26 10.593 0.067 -4.051 1.00 54.31 H new ATOM 0 HE1 TYR A 26 13.234 3.039 -1.156 1.00 24.31 H new ATOM 0 HE2 TYR A 26 10.293 2.492 -4.191 1.00 71.03 H new ATOM 0 HH TYR A 26 11.612 4.550 -3.666 1.00 11.23 H new ATOM 420 N PRO A 27 14.202 -3.890 -1.752 1.00 41.44 N ATOM 421 CA PRO A 27 14.455 -5.344 -1.543 1.00 2.44 C ATOM 422 C PRO A 27 13.163 -6.206 -1.499 1.00 14.14 C ATOM 423 O PRO A 27 13.238 -7.426 -1.332 1.00 31.45 O ATOM 424 CB PRO A 27 15.210 -5.367 -0.196 1.00 30.31 C ATOM 425 CG PRO A 27 14.686 -4.179 0.547 1.00 20.41 C ATOM 426 CD PRO A 27 14.503 -3.111 -0.508 1.00 73.43 C ATOM 0 HA PRO A 27 15.012 -5.785 -2.370 1.00 2.44 H new ATOM 0 HB2 PRO A 27 15.021 -6.292 0.349 1.00 30.31 H new ATOM 0 HB3 PRO A 27 16.288 -5.299 -0.344 1.00 30.31 H new ATOM 0 HG2 PRO A 27 13.744 -4.408 1.045 1.00 20.41 H new ATOM 0 HG3 PRO A 27 15.384 -3.856 1.319 1.00 20.41 H new ATOM 0 HD2 PRO A 27 13.689 -2.432 -0.254 1.00 73.43 H new ATOM 0 HD3 PRO A 27 15.401 -2.504 -0.623 1.00 73.43 H new ATOM 434 N GLY A 28 11.990 -5.543 -1.623 1.00 70.14 N ATOM 435 CA GLY A 28 10.694 -6.228 -1.686 1.00 30.24 C ATOM 436 C GLY A 28 10.008 -6.356 -0.332 1.00 62.11 C ATOM 437 O GLY A 28 8.821 -6.676 -0.276 1.00 54.53 O ATOM 0 H GLY A 28 11.923 -4.527 -1.681 1.00 70.14 H new ATOM 0 HA2 GLY A 28 10.038 -5.686 -2.367 1.00 30.24 H new ATOM 0 HA3 GLY A 28 10.838 -7.223 -2.107 1.00 30.24 H new ATOM 441 N ARG A 29 10.762 -6.112 0.763 1.00 72.34 N ATOM 442 CA ARG A 29 10.228 -6.133 2.139 1.00 14.54 C ATOM 443 C ARG A 29 9.227 -4.983 2.364 1.00 74.02 C ATOM 444 O ARG A 29 8.232 -5.141 3.084 1.00 33.55 O ATOM 445 CB ARG A 29 11.408 -6.057 3.154 1.00 25.22 C ATOM 446 CG ARG A 29 10.993 -5.977 4.644 1.00 11.13 C ATOM 447 CD ARG A 29 12.179 -6.160 5.606 1.00 35.43 C ATOM 448 NE ARG A 29 12.738 -7.519 5.535 1.00 33.41 N ATOM 449 CZ ARG A 29 13.796 -7.978 6.233 1.00 33.24 C ATOM 450 NH1 ARG A 29 14.453 -7.187 7.086 1.00 53.14 N ATOM 451 NH2 ARG A 29 14.172 -9.243 6.094 1.00 3.33 N ATOM 0 H ARG A 29 11.758 -5.895 0.715 1.00 72.34 H new ATOM 0 HA ARG A 29 9.687 -7.066 2.294 1.00 14.54 H new ATOM 0 HB2 ARG A 29 12.041 -6.933 3.017 1.00 25.22 H new ATOM 0 HB3 ARG A 29 12.016 -5.184 2.915 1.00 25.22 H new ATOM 0 HG2 ARG A 29 10.523 -5.012 4.834 1.00 11.13 H new ATOM 0 HG3 ARG A 29 10.244 -6.742 4.849 1.00 11.13 H new ATOM 0 HD2 ARG A 29 12.956 -5.435 5.366 1.00 35.43 H new ATOM 0 HD3 ARG A 29 11.854 -5.954 6.626 1.00 35.43 H new ATOM 0 HE ARG A 29 12.283 -8.174 4.899 1.00 33.41 H new ATOM 0 HH11 ARG A 29 14.156 -6.220 7.217 1.00 53.14 H new ATOM 0 HH12 ARG A 29 15.252 -7.550 7.606 1.00 53.14 H new ATOM 0 HH21 ARG A 29 13.662 -9.860 5.463 1.00 3.33 H new ATOM 0 HH22 ARG A 29 14.972 -9.598 6.619 1.00 3.33 H new ATOM 465 N TYR A 30 9.497 -3.840 1.715 1.00 61.31 N ATOM 466 CA TYR A 30 8.658 -2.628 1.810 1.00 54.30 C ATOM 467 C TYR A 30 7.388 -2.741 0.945 1.00 0.12 C ATOM 468 O TYR A 30 6.413 -2.034 1.184 1.00 70.40 O ATOM 469 CB TYR A 30 9.485 -1.380 1.404 1.00 23.11 C ATOM 470 CG TYR A 30 10.614 -1.064 2.396 1.00 4.43 C ATOM 471 CD1 TYR A 30 11.864 -1.694 2.306 1.00 63.14 C ATOM 472 CD2 TYR A 30 10.412 -0.167 3.447 1.00 32.21 C ATOM 473 CE1 TYR A 30 12.862 -1.433 3.225 1.00 44.13 C ATOM 474 CE2 TYR A 30 11.405 0.090 4.369 1.00 51.01 C ATOM 475 CZ TYR A 30 12.629 -0.543 4.254 1.00 75.22 C ATOM 476 OH TYR A 30 13.615 -0.295 5.183 1.00 53.14 O ATOM 0 H TYR A 30 10.307 -3.727 1.106 1.00 61.31 H new ATOM 0 HA TYR A 30 8.335 -2.524 2.846 1.00 54.30 H new ATOM 0 HB2 TYR A 30 9.912 -1.539 0.414 1.00 23.11 H new ATOM 0 HB3 TYR A 30 8.821 -0.519 1.330 1.00 23.11 H new ATOM 0 HD1 TYR A 30 12.049 -2.395 1.505 1.00 63.14 H new ATOM 0 HD2 TYR A 30 9.460 0.335 3.540 1.00 32.21 H new ATOM 0 HE1 TYR A 30 13.820 -1.923 3.139 1.00 44.13 H new ATOM 0 HE2 TYR A 30 11.227 0.783 5.178 1.00 51.01 H new ATOM 0 HH TYR A 30 13.290 0.356 5.839 1.00 53.14 H new ATOM 486 N ILE A 31 7.420 -3.633 -0.060 1.00 4.52 N ATOM 487 CA ILE A 31 6.315 -3.807 -1.025 1.00 63.52 C ATOM 488 C ILE A 31 5.510 -5.062 -0.656 1.00 75.44 C ATOM 489 O ILE A 31 6.053 -6.171 -0.592 1.00 23.55 O ATOM 490 CB ILE A 31 6.841 -3.916 -2.517 1.00 33.43 C ATOM 491 CG1 ILE A 31 7.407 -2.554 -3.040 1.00 32.20 C ATOM 492 CG2 ILE A 31 5.735 -4.431 -3.480 1.00 2.34 C ATOM 493 CD1 ILE A 31 8.659 -2.031 -2.350 1.00 41.33 C ATOM 0 H ILE A 31 8.211 -4.254 -0.228 1.00 4.52 H new ATOM 0 HA ILE A 31 5.677 -2.925 -0.971 1.00 63.52 H new ATOM 0 HB ILE A 31 7.654 -4.641 -2.502 1.00 33.43 H new ATOM 0 HG12 ILE A 31 7.622 -2.659 -4.103 1.00 32.20 H new ATOM 0 HG13 ILE A 31 6.625 -1.800 -2.946 1.00 32.20 H new ATOM 0 HG21 ILE A 31 6.134 -4.492 -4.493 1.00 2.34 H new ATOM 0 HG22 ILE A 31 5.405 -5.419 -3.160 1.00 2.34 H new ATOM 0 HG23 ILE A 31 4.889 -3.743 -3.464 1.00 2.34 H new ATOM 0 HD11 ILE A 31 8.953 -1.083 -2.800 1.00 41.33 H new ATOM 0 HD12 ILE A 31 8.455 -1.882 -1.290 1.00 41.33 H new ATOM 0 HD13 ILE A 31 9.467 -2.754 -2.465 1.00 41.33 H new ATOM 505 N ARG A 32 4.219 -4.864 -0.411 1.00 35.44 N ATOM 506 CA ARG A 32 3.265 -5.916 -0.079 1.00 12.30 C ATOM 507 C ARG A 32 2.086 -5.843 -1.060 1.00 13.33 C ATOM 508 O ARG A 32 1.737 -4.761 -1.525 1.00 13.10 O ATOM 509 CB ARG A 32 2.776 -5.700 1.379 1.00 73.42 C ATOM 510 CG ARG A 32 1.605 -6.601 1.812 1.00 55.11 C ATOM 511 CD ARG A 32 1.973 -8.087 1.917 1.00 60.51 C ATOM 512 NE ARG A 32 2.884 -8.348 3.047 1.00 54.13 N ATOM 513 CZ ARG A 32 2.575 -9.059 4.144 1.00 54.12 C ATOM 514 NH1 ARG A 32 1.364 -9.605 4.297 1.00 44.11 N ATOM 515 NH2 ARG A 32 3.476 -9.203 5.100 1.00 0.34 N ATOM 0 H ARG A 32 3.794 -3.937 -0.439 1.00 35.44 H new ATOM 0 HA ARG A 32 3.729 -6.899 -0.157 1.00 12.30 H new ATOM 0 HB2 ARG A 32 3.614 -5.868 2.056 1.00 73.42 H new ATOM 0 HB3 ARG A 32 2.476 -4.659 1.495 1.00 73.42 H new ATOM 0 HG2 ARG A 32 1.234 -6.259 2.778 1.00 55.11 H new ATOM 0 HG3 ARG A 32 0.789 -6.488 1.099 1.00 55.11 H new ATOM 0 HD2 ARG A 32 1.065 -8.678 2.038 1.00 60.51 H new ATOM 0 HD3 ARG A 32 2.443 -8.411 0.989 1.00 60.51 H new ATOM 0 HE ARG A 32 3.824 -7.957 2.991 1.00 54.13 H new ATOM 0 HH11 ARG A 32 0.655 -9.485 3.573 1.00 44.11 H new ATOM 0 HH12 ARG A 32 1.149 -10.141 5.137 1.00 44.11 H new ATOM 0 HH21 ARG A 32 4.397 -8.776 5.001 1.00 0.34 H new ATOM 0 HH22 ARG A 32 3.250 -9.741 5.937 1.00 0.34 H new ATOM 529 N THR A 33 1.501 -7.001 -1.395 1.00 13.33 N ATOM 530 CA THR A 33 0.298 -7.074 -2.231 1.00 5.00 C ATOM 531 C THR A 33 -0.895 -7.594 -1.405 1.00 12.22 C ATOM 532 O THR A 33 -0.903 -8.750 -0.966 1.00 33.40 O ATOM 533 CB THR A 33 0.548 -7.982 -3.480 1.00 33.25 C ATOM 534 OG1 THR A 33 0.946 -9.308 -3.082 1.00 62.25 O ATOM 535 CG2 THR A 33 1.648 -7.397 -4.380 1.00 22.33 C ATOM 0 H THR A 33 1.849 -7.911 -1.094 1.00 13.33 H new ATOM 0 HA THR A 33 0.060 -6.071 -2.586 1.00 5.00 H new ATOM 0 HB THR A 33 -0.391 -8.028 -4.032 1.00 33.25 H new ATOM 0 HG1 THR A 33 0.498 -9.546 -2.243 1.00 62.25 H new ATOM 0 HG21 THR A 33 1.800 -8.049 -5.240 1.00 22.33 H new ATOM 0 HG22 THR A 33 1.348 -6.407 -4.724 1.00 22.33 H new ATOM 0 HG23 THR A 33 2.577 -7.319 -3.815 1.00 22.33 H new ATOM 543 N ALA A 34 -1.894 -6.721 -1.196 1.00 13.34 N ATOM 544 CA ALA A 34 -3.121 -7.075 -0.470 1.00 24.12 C ATOM 545 C ALA A 34 -4.175 -7.531 -1.478 1.00 11.33 C ATOM 546 O ALA A 34 -4.734 -6.718 -2.225 1.00 34.01 O ATOM 547 CB ALA A 34 -3.634 -5.904 0.378 1.00 51.04 C ATOM 0 H ALA A 34 -1.873 -5.755 -1.524 1.00 13.34 H new ATOM 0 HA ALA A 34 -2.903 -7.888 0.222 1.00 24.12 H new ATOM 0 HB1 ALA A 34 -4.543 -6.204 0.900 1.00 51.04 H new ATOM 0 HB2 ALA A 34 -2.874 -5.621 1.106 1.00 51.04 H new ATOM 0 HB3 ALA A 34 -3.851 -5.054 -0.269 1.00 51.04 H new ATOM 553 N THR A 35 -4.366 -8.851 -1.544 1.00 22.42 N ATOM 554 CA THR A 35 -5.394 -9.486 -2.385 1.00 34.24 C ATOM 555 C THR A 35 -6.649 -9.821 -1.549 1.00 31.14 C ATOM 556 O THR A 35 -7.720 -10.107 -2.102 1.00 63.24 O ATOM 557 CB THR A 35 -4.827 -10.773 -3.078 1.00 74.33 C ATOM 558 OG1 THR A 35 -5.818 -11.367 -3.932 1.00 15.20 O ATOM 559 CG2 THR A 35 -4.328 -11.815 -2.056 1.00 14.22 C ATOM 0 H THR A 35 -3.808 -9.519 -1.012 1.00 22.42 H new ATOM 0 HA THR A 35 -5.682 -8.781 -3.165 1.00 34.24 H new ATOM 0 HB THR A 35 -3.972 -10.458 -3.677 1.00 74.33 H new ATOM 0 HG1 THR A 35 -6.456 -10.681 -4.219 1.00 15.20 H new ATOM 0 HG21 THR A 35 -3.945 -12.688 -2.584 1.00 14.22 H new ATOM 0 HG22 THR A 35 -3.533 -11.379 -1.451 1.00 14.22 H new ATOM 0 HG23 THR A 35 -5.153 -12.115 -1.410 1.00 14.22 H new ATOM 567 N SER A 36 -6.502 -9.757 -0.215 1.00 23.32 N ATOM 568 CA SER A 36 -7.566 -10.091 0.735 1.00 44.33 C ATOM 569 C SER A 36 -7.356 -9.335 2.055 1.00 20.33 C ATOM 570 O SER A 36 -6.233 -8.918 2.376 1.00 64.21 O ATOM 571 CB SER A 36 -7.577 -11.613 1.002 1.00 51.23 C ATOM 572 OG SER A 36 -6.339 -12.047 1.557 1.00 53.42 O ATOM 0 H SER A 36 -5.632 -9.469 0.234 1.00 23.32 H new ATOM 0 HA SER A 36 -8.523 -9.795 0.306 1.00 44.33 H new ATOM 0 HB2 SER A 36 -8.391 -11.859 1.684 1.00 51.23 H new ATOM 0 HB3 SER A 36 -7.768 -12.147 0.071 1.00 51.23 H new ATOM 0 HG SER A 36 -6.312 -13.027 1.570 1.00 53.42 H new ATOM 578 N SER A 37 -8.456 -9.204 2.816 1.00 50.11 N ATOM 579 CA SER A 37 -8.434 -8.678 4.195 1.00 72.25 C ATOM 580 C SER A 37 -7.656 -9.626 5.144 1.00 51.22 C ATOM 581 O SER A 37 -7.215 -9.217 6.225 1.00 54.34 O ATOM 582 CB SER A 37 -9.880 -8.455 4.689 1.00 12.13 C ATOM 583 OG SER A 37 -10.589 -7.579 3.820 1.00 61.31 O ATOM 0 H SER A 37 -9.389 -9.460 2.493 1.00 50.11 H new ATOM 0 HA SER A 37 -7.912 -7.721 4.198 1.00 72.25 H new ATOM 0 HB2 SER A 37 -10.399 -9.412 4.748 1.00 12.13 H new ATOM 0 HB3 SER A 37 -9.863 -8.038 5.696 1.00 12.13 H new ATOM 0 HG SER A 37 -10.469 -7.871 2.892 1.00 61.31 H new ATOM 589 N GLN A 38 -7.487 -10.892 4.701 1.00 32.22 N ATOM 590 CA GLN A 38 -6.705 -11.919 5.405 1.00 42.14 C ATOM 591 C GLN A 38 -5.203 -11.573 5.340 1.00 3.22 C ATOM 592 O GLN A 38 -4.510 -11.604 6.366 1.00 22.33 O ATOM 593 CB GLN A 38 -6.975 -13.332 4.794 1.00 61.45 C ATOM 594 CG GLN A 38 -8.405 -13.904 5.018 1.00 3.35 C ATOM 595 CD GLN A 38 -9.526 -13.118 4.311 1.00 62.01 C ATOM 596 OE1 GLN A 38 -9.862 -13.383 3.156 1.00 0.34 O ATOM 597 NE2 GLN A 38 -10.128 -12.160 5.002 1.00 2.30 N ATOM 0 H GLN A 38 -7.899 -11.229 3.831 1.00 32.22 H new ATOM 0 HA GLN A 38 -7.013 -11.940 6.450 1.00 42.14 H new ATOM 0 HB2 GLN A 38 -6.787 -13.285 3.721 1.00 61.45 H new ATOM 0 HB3 GLN A 38 -6.254 -14.033 5.214 1.00 61.45 H new ATOM 0 HG2 GLN A 38 -8.428 -14.937 4.670 1.00 3.35 H new ATOM 0 HG3 GLN A 38 -8.611 -13.923 6.088 1.00 3.35 H new ATOM 0 HE21 GLN A 38 -9.833 -11.958 5.957 1.00 2.30 H new ATOM 0 HE22 GLN A 38 -10.886 -11.625 4.578 1.00 2.30 H new ATOM 606 N ASP A 39 -4.713 -11.230 4.120 1.00 34.03 N ATOM 607 CA ASP A 39 -3.324 -10.754 3.910 1.00 51.21 C ATOM 608 C ASP A 39 -3.075 -9.466 4.713 1.00 34.12 C ATOM 609 O ASP A 39 -2.020 -9.304 5.320 1.00 62.13 O ATOM 610 CB ASP A 39 -3.037 -10.495 2.402 1.00 3.42 C ATOM 611 CG ASP A 39 -1.592 -10.005 2.141 1.00 54.24 C ATOM 612 OD1 ASP A 39 -0.664 -10.847 2.096 1.00 4.02 O ATOM 613 OD2 ASP A 39 -1.373 -8.785 2.002 1.00 74.55 O ATOM 0 H ASP A 39 -5.265 -11.276 3.263 1.00 34.03 H new ATOM 0 HA ASP A 39 -2.649 -11.535 4.259 1.00 51.21 H new ATOM 0 HB2 ASP A 39 -3.211 -11.413 1.841 1.00 3.42 H new ATOM 0 HB3 ASP A 39 -3.741 -9.753 2.025 1.00 3.42 H new ATOM 618 N ILE A 40 -4.082 -8.569 4.680 1.00 15.42 N ATOM 619 CA ILE A 40 -4.076 -7.287 5.404 1.00 54.35 C ATOM 620 C ILE A 40 -3.793 -7.479 6.904 1.00 74.31 C ATOM 621 O ILE A 40 -2.920 -6.792 7.461 1.00 22.21 O ATOM 622 CB ILE A 40 -5.419 -6.510 5.145 1.00 23.41 C ATOM 623 CG1 ILE A 40 -5.454 -6.021 3.659 1.00 40.10 C ATOM 624 CG2 ILE A 40 -5.631 -5.345 6.135 1.00 4.32 C ATOM 625 CD1 ILE A 40 -6.748 -5.380 3.209 1.00 11.21 C ATOM 0 H ILE A 40 -4.934 -8.720 4.140 1.00 15.42 H new ATOM 0 HA ILE A 40 -3.258 -6.678 5.017 1.00 54.35 H new ATOM 0 HB ILE A 40 -6.249 -7.196 5.317 1.00 23.41 H new ATOM 0 HG12 ILE A 40 -4.645 -5.305 3.512 1.00 40.10 H new ATOM 0 HG13 ILE A 40 -5.247 -6.873 3.011 1.00 40.10 H new ATOM 0 HG21 ILE A 40 -6.572 -4.844 5.911 1.00 4.32 H new ATOM 0 HG22 ILE A 40 -5.660 -5.733 7.153 1.00 4.32 H new ATOM 0 HG23 ILE A 40 -4.810 -4.634 6.041 1.00 4.32 H new ATOM 0 HD11 ILE A 40 -6.661 -5.079 2.165 1.00 11.21 H new ATOM 0 HD12 ILE A 40 -7.564 -6.095 3.314 1.00 11.21 H new ATOM 0 HD13 ILE A 40 -6.953 -4.503 3.823 1.00 11.21 H new ATOM 637 N ARG A 41 -4.492 -8.450 7.532 1.00 40.32 N ATOM 638 CA ARG A 41 -4.250 -8.823 8.944 1.00 3.43 C ATOM 639 C ARG A 41 -2.751 -9.100 9.204 1.00 64.13 C ATOM 640 O ARG A 41 -2.188 -8.578 10.163 1.00 22.31 O ATOM 641 CB ARG A 41 -5.116 -10.053 9.357 1.00 22.45 C ATOM 642 CG ARG A 41 -6.571 -9.713 9.744 1.00 71.22 C ATOM 643 CD ARG A 41 -6.637 -8.777 10.965 1.00 72.31 C ATOM 644 NE ARG A 41 -5.878 -9.300 12.123 1.00 2.10 N ATOM 645 CZ ARG A 41 -5.415 -8.574 13.163 1.00 4.12 C ATOM 646 NH1 ARG A 41 -5.624 -7.259 13.244 1.00 2.20 N ATOM 647 NH2 ARG A 41 -4.731 -9.176 14.128 1.00 75.02 N ATOM 0 H ARG A 41 -5.230 -8.991 7.082 1.00 40.32 H new ATOM 0 HA ARG A 41 -4.547 -7.975 9.561 1.00 3.43 H new ATOM 0 HB2 ARG A 41 -5.130 -10.764 8.531 1.00 22.45 H new ATOM 0 HB3 ARG A 41 -4.637 -10.552 10.199 1.00 22.45 H new ATOM 0 HG2 ARG A 41 -7.071 -9.242 8.898 1.00 71.22 H new ATOM 0 HG3 ARG A 41 -7.113 -10.633 9.962 1.00 71.22 H new ATOM 0 HD2 ARG A 41 -6.244 -7.798 10.690 1.00 72.31 H new ATOM 0 HD3 ARG A 41 -7.679 -8.633 11.253 1.00 72.31 H new ATOM 0 HE ARG A 41 -5.687 -10.302 12.137 1.00 2.10 H new ATOM 0 HH11 ARG A 41 -6.144 -6.779 12.510 1.00 2.20 H new ATOM 0 HH12 ARG A 41 -5.264 -6.733 14.040 1.00 2.20 H new ATOM 0 HH21 ARG A 41 -4.558 -10.180 14.081 1.00 75.02 H new ATOM 0 HH22 ARG A 41 -4.378 -8.634 14.917 1.00 75.02 H new ATOM 661 N ASP A 42 -2.122 -9.867 8.288 1.00 40.44 N ATOM 662 CA ASP A 42 -0.690 -10.225 8.359 1.00 2.22 C ATOM 663 C ASP A 42 0.209 -8.966 8.261 1.00 21.31 C ATOM 664 O ASP A 42 1.231 -8.885 8.950 1.00 3.14 O ATOM 665 CB ASP A 42 -0.340 -11.239 7.230 1.00 72.42 C ATOM 666 CG ASP A 42 1.106 -11.779 7.310 1.00 50.45 C ATOM 667 OD1 ASP A 42 2.029 -11.165 6.731 1.00 30.13 O ATOM 668 OD2 ASP A 42 1.331 -12.832 7.949 1.00 62.22 O ATOM 0 H ASP A 42 -2.597 -10.257 7.474 1.00 40.44 H new ATOM 0 HA ASP A 42 -0.500 -10.691 9.326 1.00 2.22 H new ATOM 0 HB2 ASP A 42 -1.035 -12.077 7.278 1.00 72.42 H new ATOM 0 HB3 ASP A 42 -0.486 -10.758 6.263 1.00 72.42 H new ATOM 673 N ILE A 43 -0.199 -7.988 7.410 1.00 32.30 N ATOM 674 CA ILE A 43 0.554 -6.727 7.194 1.00 64.20 C ATOM 675 C ILE A 43 0.631 -5.940 8.516 1.00 12.51 C ATOM 676 O ILE A 43 1.709 -5.672 9.069 1.00 50.31 O ATOM 677 CB ILE A 43 -0.149 -5.806 6.109 1.00 11.15 C ATOM 678 CG1 ILE A 43 -0.431 -6.582 4.790 1.00 42.50 C ATOM 679 CG2 ILE A 43 0.674 -4.527 5.827 1.00 24.10 C ATOM 680 CD1 ILE A 43 -1.251 -5.809 3.764 1.00 70.02 C ATOM 0 H ILE A 43 -1.054 -8.052 6.858 1.00 32.30 H new ATOM 0 HA ILE A 43 1.550 -6.994 6.840 1.00 64.20 H new ATOM 0 HB ILE A 43 -1.108 -5.501 6.528 1.00 11.15 H new ATOM 0 HG12 ILE A 43 0.520 -6.863 4.338 1.00 42.50 H new ATOM 0 HG13 ILE A 43 -0.955 -7.507 5.032 1.00 42.50 H new ATOM 0 HG21 ILE A 43 0.161 -3.922 5.079 1.00 24.10 H new ATOM 0 HG22 ILE A 43 0.781 -3.953 6.747 1.00 24.10 H new ATOM 0 HG23 ILE A 43 1.661 -4.804 5.455 1.00 24.10 H new ATOM 0 HD11 ILE A 43 -1.399 -6.426 2.877 1.00 70.02 H new ATOM 0 HD12 ILE A 43 -2.219 -5.551 4.192 1.00 70.02 H new ATOM 0 HD13 ILE A 43 -0.722 -4.897 3.488 1.00 70.02 H new ATOM 692 N ILE A 44 -0.564 -5.654 9.032 1.00 11.00 N ATOM 693 CA ILE A 44 -0.778 -4.766 10.171 1.00 43.01 C ATOM 694 C ILE A 44 -0.292 -5.417 11.485 1.00 33.41 C ATOM 695 O ILE A 44 0.110 -4.701 12.398 1.00 45.34 O ATOM 696 CB ILE A 44 -2.295 -4.320 10.201 1.00 32.32 C ATOM 697 CG1 ILE A 44 -2.633 -3.581 8.854 1.00 65.14 C ATOM 698 CG2 ILE A 44 -2.621 -3.425 11.422 1.00 65.23 C ATOM 699 CD1 ILE A 44 -4.070 -3.127 8.692 1.00 72.41 C ATOM 0 H ILE A 44 -1.430 -6.043 8.660 1.00 11.00 H new ATOM 0 HA ILE A 44 -0.177 -3.863 10.063 1.00 43.01 H new ATOM 0 HB ILE A 44 -2.916 -5.210 10.302 1.00 32.32 H new ATOM 0 HG12 ILE A 44 -1.985 -2.709 8.768 1.00 65.14 H new ATOM 0 HG13 ILE A 44 -2.386 -4.245 8.026 1.00 65.14 H new ATOM 0 HG21 ILE A 44 -3.674 -3.145 11.397 1.00 65.23 H new ATOM 0 HG22 ILE A 44 -2.413 -3.973 12.341 1.00 65.23 H new ATOM 0 HG23 ILE A 44 -2.006 -2.526 11.389 1.00 65.23 H new ATOM 0 HD11 ILE A 44 -4.188 -2.631 7.729 1.00 72.41 H new ATOM 0 HD12 ILE A 44 -4.732 -3.992 8.739 1.00 72.41 H new ATOM 0 HD13 ILE A 44 -4.324 -2.432 9.492 1.00 72.41 H new ATOM 711 N LYS A 45 -0.246 -6.779 11.526 1.00 51.03 N ATOM 712 CA LYS A 45 0.352 -7.548 12.655 1.00 54.24 C ATOM 713 C LYS A 45 1.788 -7.069 12.950 1.00 24.40 C ATOM 714 O LYS A 45 2.126 -6.802 14.102 1.00 34.12 O ATOM 715 CB LYS A 45 0.361 -9.088 12.368 1.00 52.43 C ATOM 716 CG LYS A 45 -0.954 -9.831 12.700 1.00 32.02 C ATOM 717 CD LYS A 45 -0.908 -11.326 12.275 1.00 52.21 C ATOM 718 CE LYS A 45 0.230 -12.117 12.950 1.00 70.14 C ATOM 719 NZ LYS A 45 0.247 -13.553 12.548 1.00 72.53 N ATOM 0 H LYS A 45 -0.619 -7.370 10.783 1.00 51.03 H new ATOM 0 HA LYS A 45 -0.273 -7.365 13.529 1.00 54.24 H new ATOM 0 HB2 LYS A 45 0.590 -9.243 11.314 1.00 52.43 H new ATOM 0 HB3 LYS A 45 1.170 -9.543 12.940 1.00 52.43 H new ATOM 0 HG2 LYS A 45 -1.146 -9.765 13.771 1.00 32.02 H new ATOM 0 HG3 LYS A 45 -1.785 -9.337 12.196 1.00 32.02 H new ATOM 0 HD2 LYS A 45 -1.861 -11.795 12.518 1.00 52.21 H new ATOM 0 HD3 LYS A 45 -0.790 -11.386 11.193 1.00 52.21 H new ATOM 0 HE2 LYS A 45 1.186 -11.661 12.694 1.00 70.14 H new ATOM 0 HE3 LYS A 45 0.123 -12.048 14.033 1.00 70.14 H new ATOM 0 HZ1 LYS A 45 1.030 -14.039 13.029 1.00 72.53 H new ATOM 0 HZ2 LYS A 45 -0.654 -13.999 12.815 1.00 72.53 H new ATOM 0 HZ3 LYS A 45 0.376 -13.624 11.519 1.00 72.53 H new ATOM 733 N SER A 46 2.610 -6.951 11.888 1.00 60.30 N ATOM 734 CA SER A 46 4.001 -6.491 12.013 1.00 41.43 C ATOM 735 C SER A 46 4.041 -4.964 12.186 1.00 71.30 C ATOM 736 O SER A 46 4.833 -4.450 12.980 1.00 52.40 O ATOM 737 CB SER A 46 4.840 -6.933 10.787 1.00 73.53 C ATOM 738 OG SER A 46 4.374 -6.357 9.571 1.00 33.40 O ATOM 0 H SER A 46 2.330 -7.170 10.932 1.00 60.30 H new ATOM 0 HA SER A 46 4.440 -6.950 12.899 1.00 41.43 H new ATOM 0 HB2 SER A 46 5.881 -6.651 10.943 1.00 73.53 H new ATOM 0 HB3 SER A 46 4.812 -8.020 10.705 1.00 73.53 H new ATOM 0 HG SER A 46 3.420 -6.148 9.652 1.00 33.40 H new ATOM 744 N MET A 47 3.120 -4.249 11.487 1.00 24.15 N ATOM 745 CA MET A 47 3.137 -2.763 11.424 1.00 32.15 C ATOM 746 C MET A 47 2.764 -2.112 12.774 1.00 63.43 C ATOM 747 O MET A 47 2.971 -0.914 12.955 1.00 62.51 O ATOM 748 CB MET A 47 2.212 -2.239 10.296 1.00 32.14 C ATOM 749 CG MET A 47 2.676 -2.597 8.876 1.00 44.22 C ATOM 750 SD MET A 47 4.352 -2.021 8.505 1.00 44.02 S ATOM 751 CE MET A 47 4.206 -0.244 8.676 1.00 4.52 C ATOM 0 H MET A 47 2.358 -4.677 10.960 1.00 24.15 H new ATOM 0 HA MET A 47 4.163 -2.474 11.196 1.00 32.15 H new ATOM 0 HB2 MET A 47 1.210 -2.640 10.449 1.00 32.14 H new ATOM 0 HB3 MET A 47 2.138 -1.155 10.378 1.00 32.14 H new ATOM 0 HG2 MET A 47 2.635 -3.679 8.749 1.00 44.22 H new ATOM 0 HG3 MET A 47 1.983 -2.165 8.155 1.00 44.22 H new ATOM 0 HE1 MET A 47 5.125 0.157 9.103 1.00 4.52 H new ATOM 0 HE2 MET A 47 4.035 0.203 7.697 1.00 4.52 H new ATOM 0 HE3 MET A 47 3.368 -0.009 9.333 1.00 4.52 H new ATOM 761 N LYS A 48 2.202 -2.915 13.701 1.00 41.54 N ATOM 762 CA LYS A 48 1.937 -2.506 15.103 1.00 63.12 C ATOM 763 C LYS A 48 3.233 -2.045 15.806 1.00 60.51 C ATOM 764 O LYS A 48 3.231 -1.063 16.552 1.00 44.53 O ATOM 765 CB LYS A 48 1.296 -3.692 15.884 1.00 11.23 C ATOM 766 CG LYS A 48 -0.132 -4.070 15.417 1.00 35.42 C ATOM 767 CD LYS A 48 -0.615 -5.438 15.957 1.00 22.10 C ATOM 768 CE LYS A 48 -0.648 -5.514 17.492 1.00 52.15 C ATOM 769 NZ LYS A 48 -1.559 -4.493 18.081 1.00 14.52 N ATOM 0 H LYS A 48 1.916 -3.873 13.500 1.00 41.54 H new ATOM 0 HA LYS A 48 1.245 -1.664 15.090 1.00 63.12 H new ATOM 0 HB2 LYS A 48 1.940 -4.566 15.786 1.00 11.23 H new ATOM 0 HB3 LYS A 48 1.263 -3.438 16.943 1.00 11.23 H new ATOM 0 HG2 LYS A 48 -0.828 -3.295 15.738 1.00 35.42 H new ATOM 0 HG3 LYS A 48 -0.157 -4.089 14.327 1.00 35.42 H new ATOM 0 HD2 LYS A 48 -1.613 -5.641 15.570 1.00 22.10 H new ATOM 0 HD3 LYS A 48 0.040 -6.222 15.576 1.00 22.10 H new ATOM 0 HE2 LYS A 48 -0.971 -6.509 17.799 1.00 52.15 H new ATOM 0 HE3 LYS A 48 0.359 -5.371 17.884 1.00 52.15 H new ATOM 0 HZ1 LYS A 48 -1.671 -4.674 19.099 1.00 14.52 H new ATOM 0 HZ2 LYS A 48 -1.155 -3.545 17.940 1.00 14.52 H new ATOM 0 HZ3 LYS A 48 -2.487 -4.546 17.615 1.00 14.52 H new ATOM 783 N ASP A 49 4.333 -2.770 15.552 1.00 33.50 N ATOM 784 CA ASP A 49 5.648 -2.480 16.159 1.00 74.24 C ATOM 785 C ASP A 49 6.544 -1.665 15.206 1.00 43.13 C ATOM 786 O ASP A 49 7.151 -0.675 15.633 1.00 44.33 O ATOM 787 CB ASP A 49 6.366 -3.803 16.543 1.00 54.42 C ATOM 788 CG ASP A 49 7.643 -3.578 17.379 1.00 64.21 C ATOM 789 OD1 ASP A 49 7.523 -3.441 18.621 1.00 51.14 O ATOM 790 OD2 ASP A 49 8.763 -3.530 16.815 1.00 1.13 O ATOM 0 H ASP A 49 4.340 -3.572 14.922 1.00 33.50 H new ATOM 0 HA ASP A 49 5.472 -1.885 17.055 1.00 74.24 H new ATOM 0 HB2 ASP A 49 5.677 -4.433 17.105 1.00 54.42 H new ATOM 0 HB3 ASP A 49 6.625 -4.346 15.634 1.00 54.42 H new ATOM 795 N ASN A 50 6.544 -2.076 13.901 1.00 22.51 N ATOM 796 CA ASN A 50 7.602 -1.757 12.890 1.00 63.31 C ATOM 797 C ASN A 50 8.219 -0.345 12.991 1.00 54.24 C ATOM 798 O ASN A 50 9.444 -0.206 12.918 1.00 72.51 O ATOM 799 CB ASN A 50 7.097 -2.017 11.431 1.00 73.04 C ATOM 800 CG ASN A 50 7.087 -3.500 11.029 1.00 42.13 C ATOM 801 OD1 ASN A 50 7.822 -4.318 11.584 1.00 24.24 O ATOM 802 ND2 ASN A 50 6.304 -3.847 10.019 1.00 15.23 N ATOM 0 H ASN A 50 5.794 -2.649 13.515 1.00 22.51 H new ATOM 0 HA ASN A 50 8.411 -2.445 13.136 1.00 63.31 H new ATOM 0 HB2 ASN A 50 6.088 -1.617 11.330 1.00 73.04 H new ATOM 0 HB3 ASN A 50 7.730 -1.467 10.735 1.00 73.04 H new ATOM 0 HD21 ASN A 50 6.301 -4.810 9.684 1.00 15.23 H new ATOM 0 HD22 ASN A 50 5.704 -3.151 9.576 1.00 15.23 H new ATOM 809 N GLY A 51 7.373 0.684 13.148 1.00 40.41 N ATOM 810 CA GLY A 51 7.843 2.073 13.286 1.00 23.31 C ATOM 811 C GLY A 51 8.581 2.592 12.058 1.00 41.32 C ATOM 812 O GLY A 51 9.444 3.470 12.160 1.00 73.31 O ATOM 0 H GLY A 51 6.359 0.582 13.183 1.00 40.41 H new ATOM 0 HA2 GLY A 51 6.988 2.719 13.486 1.00 23.31 H new ATOM 0 HA3 GLY A 51 8.502 2.140 14.151 1.00 23.31 H new ATOM 816 N LYS A 52 8.214 2.047 10.888 1.00 64.04 N ATOM 817 CA LYS A 52 8.879 2.327 9.605 1.00 74.55 C ATOM 818 C LYS A 52 7.814 2.510 8.498 1.00 11.24 C ATOM 819 O LYS A 52 6.645 2.138 8.705 1.00 72.32 O ATOM 820 CB LYS A 52 9.859 1.166 9.260 1.00 2.20 C ATOM 821 CG LYS A 52 9.190 -0.190 8.935 1.00 10.13 C ATOM 822 CD LYS A 52 10.219 -1.330 8.714 1.00 52.12 C ATOM 823 CE LYS A 52 11.097 -1.592 9.956 1.00 12.34 C ATOM 824 NZ LYS A 52 12.075 -2.695 9.730 1.00 25.20 N ATOM 0 H LYS A 52 7.437 1.391 10.805 1.00 64.04 H new ATOM 0 HA LYS A 52 9.456 3.249 9.679 1.00 74.55 H new ATOM 0 HB2 LYS A 52 10.466 1.467 8.406 1.00 2.20 H new ATOM 0 HB3 LYS A 52 10.539 1.025 10.100 1.00 2.20 H new ATOM 0 HG2 LYS A 52 8.520 -0.464 9.750 1.00 10.13 H new ATOM 0 HG3 LYS A 52 8.576 -0.082 8.041 1.00 10.13 H new ATOM 0 HD2 LYS A 52 9.689 -2.245 8.450 1.00 52.12 H new ATOM 0 HD3 LYS A 52 10.859 -1.077 7.869 1.00 52.12 H new ATOM 0 HE2 LYS A 52 11.634 -0.680 10.219 1.00 12.34 H new ATOM 0 HE3 LYS A 52 10.459 -1.842 10.804 1.00 12.34 H new ATOM 0 HZ1 LYS A 52 12.643 -2.837 10.589 1.00 25.20 H new ATOM 0 HZ2 LYS A 52 11.563 -3.572 9.505 1.00 25.20 H new ATOM 0 HZ3 LYS A 52 12.701 -2.447 8.938 1.00 25.20 H new ATOM 838 N PRO A 53 8.181 3.101 7.315 1.00 71.54 N ATOM 839 CA PRO A 53 7.252 3.210 6.174 1.00 73.51 C ATOM 840 C PRO A 53 7.113 1.862 5.428 1.00 3.01 C ATOM 841 O PRO A 53 8.079 1.090 5.328 1.00 2.41 O ATOM 842 CB PRO A 53 7.911 4.303 5.305 1.00 2.24 C ATOM 843 CG PRO A 53 9.380 4.126 5.535 1.00 1.43 C ATOM 844 CD PRO A 53 9.510 3.722 6.993 1.00 65.03 C ATOM 0 HA PRO A 53 6.231 3.461 6.461 1.00 73.51 H new ATOM 0 HB2 PRO A 53 7.656 4.181 4.252 1.00 2.24 H new ATOM 0 HB3 PRO A 53 7.580 5.299 5.600 1.00 2.24 H new ATOM 0 HG2 PRO A 53 9.792 3.361 4.876 1.00 1.43 H new ATOM 0 HG3 PRO A 53 9.924 5.048 5.332 1.00 1.43 H new ATOM 0 HD2 PRO A 53 10.327 3.016 7.141 1.00 65.03 H new ATOM 0 HD3 PRO A 53 9.714 4.583 7.630 1.00 65.03 H new ATOM 852 N LEU A 54 5.902 1.578 4.946 1.00 23.23 N ATOM 853 CA LEU A 54 5.603 0.385 4.144 1.00 43.10 C ATOM 854 C LEU A 54 4.734 0.822 2.950 1.00 71.54 C ATOM 855 O LEU A 54 4.284 1.972 2.892 1.00 33.43 O ATOM 856 CB LEU A 54 4.867 -0.690 5.022 1.00 14.20 C ATOM 857 CG LEU A 54 5.008 -2.178 4.551 1.00 41.51 C ATOM 858 CD1 LEU A 54 6.432 -2.709 4.799 1.00 54.32 C ATOM 859 CD2 LEU A 54 3.951 -3.094 5.206 1.00 72.25 C ATOM 0 H LEU A 54 5.090 2.175 5.102 1.00 23.23 H new ATOM 0 HA LEU A 54 6.523 -0.072 3.778 1.00 43.10 H new ATOM 0 HB2 LEU A 54 5.243 -0.616 6.042 1.00 14.20 H new ATOM 0 HB3 LEU A 54 3.807 -0.439 5.054 1.00 14.20 H new ATOM 0 HG LEU A 54 4.826 -2.192 3.476 1.00 41.51 H new ATOM 0 HD11 LEU A 54 6.498 -3.743 4.462 1.00 54.32 H new ATOM 0 HD12 LEU A 54 7.148 -2.101 4.247 1.00 54.32 H new ATOM 0 HD13 LEU A 54 6.659 -2.659 5.864 1.00 54.32 H new ATOM 0 HD21 LEU A 54 4.085 -4.116 4.852 1.00 72.25 H new ATOM 0 HD22 LEU A 54 4.068 -3.067 6.289 1.00 72.25 H new ATOM 0 HD23 LEU A 54 2.953 -2.746 4.940 1.00 72.25 H new ATOM 871 N VAL A 55 4.477 -0.103 2.014 1.00 14.35 N ATOM 872 CA VAL A 55 3.670 0.146 0.807 1.00 34.31 C ATOM 873 C VAL A 55 2.845 -1.114 0.540 1.00 30.23 C ATOM 874 O VAL A 55 3.381 -2.225 0.551 1.00 62.22 O ATOM 875 CB VAL A 55 4.529 0.485 -0.478 1.00 54.24 C ATOM 876 CG1 VAL A 55 3.622 0.772 -1.695 1.00 3.22 C ATOM 877 CG2 VAL A 55 5.485 1.670 -0.234 1.00 54.21 C ATOM 0 H VAL A 55 4.828 -1.059 2.073 1.00 14.35 H new ATOM 0 HA VAL A 55 3.050 1.022 0.995 1.00 34.31 H new ATOM 0 HB VAL A 55 5.135 -0.395 -0.695 1.00 54.24 H new ATOM 0 HG11 VAL A 55 4.240 1.002 -2.563 1.00 3.22 H new ATOM 0 HG12 VAL A 55 3.010 -0.104 -1.907 1.00 3.22 H new ATOM 0 HG13 VAL A 55 2.976 1.622 -1.475 1.00 3.22 H new ATOM 0 HG21 VAL A 55 6.056 1.870 -1.141 1.00 54.21 H new ATOM 0 HG22 VAL A 55 4.907 2.555 0.033 1.00 54.21 H new ATOM 0 HG23 VAL A 55 6.169 1.424 0.578 1.00 54.21 H new ATOM 887 N VAL A 56 1.541 -0.927 0.332 1.00 62.22 N ATOM 888 CA VAL A 56 0.599 -2.005 0.029 1.00 53.33 C ATOM 889 C VAL A 56 -0.114 -1.685 -1.296 1.00 33.05 C ATOM 890 O VAL A 56 -0.941 -0.771 -1.369 1.00 40.24 O ATOM 891 CB VAL A 56 -0.435 -2.209 1.205 1.00 60.30 C ATOM 892 CG1 VAL A 56 -1.581 -3.158 0.802 1.00 14.30 C ATOM 893 CG2 VAL A 56 0.278 -2.733 2.472 1.00 40.14 C ATOM 0 H VAL A 56 1.103 -0.007 0.370 1.00 62.22 H new ATOM 0 HA VAL A 56 1.145 -2.943 -0.075 1.00 53.33 H new ATOM 0 HB VAL A 56 -0.874 -1.236 1.425 1.00 60.30 H new ATOM 0 HG11 VAL A 56 -2.270 -3.272 1.639 1.00 14.30 H new ATOM 0 HG12 VAL A 56 -2.114 -2.742 -0.053 1.00 14.30 H new ATOM 0 HG13 VAL A 56 -1.170 -4.132 0.535 1.00 14.30 H new ATOM 0 HG21 VAL A 56 -0.451 -2.867 3.271 1.00 40.14 H new ATOM 0 HG22 VAL A 56 0.755 -3.688 2.252 1.00 40.14 H new ATOM 0 HG23 VAL A 56 1.034 -2.014 2.788 1.00 40.14 H new ATOM 903 N PHE A 57 0.252 -2.437 -2.335 1.00 23.04 N ATOM 904 CA PHE A 57 -0.380 -2.386 -3.647 1.00 11.34 C ATOM 905 C PHE A 57 -1.638 -3.268 -3.613 1.00 13.21 C ATOM 906 O PHE A 57 -1.545 -4.482 -3.368 1.00 2.45 O ATOM 907 CB PHE A 57 0.613 -2.886 -4.729 1.00 22.43 C ATOM 908 CG PHE A 57 1.807 -1.958 -4.970 1.00 32.13 C ATOM 909 CD1 PHE A 57 1.699 -0.881 -5.850 1.00 50.02 C ATOM 910 CD2 PHE A 57 3.025 -2.145 -4.316 1.00 4.01 C ATOM 911 CE1 PHE A 57 2.761 -0.028 -6.065 1.00 63.21 C ATOM 912 CE2 PHE A 57 4.091 -1.290 -4.539 1.00 32.03 C ATOM 913 CZ PHE A 57 3.958 -0.229 -5.410 1.00 0.14 C ATOM 0 H PHE A 57 1.014 -3.113 -2.283 1.00 23.04 H new ATOM 0 HA PHE A 57 -0.661 -1.362 -3.894 1.00 11.34 H new ATOM 0 HB2 PHE A 57 0.985 -3.868 -4.437 1.00 22.43 H new ATOM 0 HB3 PHE A 57 0.074 -3.015 -5.667 1.00 22.43 H new ATOM 0 HD1 PHE A 57 0.768 -0.712 -6.371 1.00 50.02 H new ATOM 0 HD2 PHE A 57 3.138 -2.968 -3.626 1.00 4.01 H new ATOM 0 HE1 PHE A 57 2.655 0.801 -6.749 1.00 63.21 H new ATOM 0 HE2 PHE A 57 5.029 -1.454 -4.030 1.00 32.03 H new ATOM 0 HZ PHE A 57 4.788 0.442 -5.578 1.00 0.14 H new ATOM 923 N VAL A 58 -2.805 -2.646 -3.829 1.00 52.22 N ATOM 924 CA VAL A 58 -4.097 -3.344 -3.815 1.00 72.40 C ATOM 925 C VAL A 58 -4.254 -4.092 -5.153 1.00 23.33 C ATOM 926 O VAL A 58 -4.801 -3.564 -6.121 1.00 13.13 O ATOM 927 CB VAL A 58 -5.290 -2.328 -3.574 1.00 21.12 C ATOM 928 CG1 VAL A 58 -6.663 -3.042 -3.506 1.00 4.21 C ATOM 929 CG2 VAL A 58 -5.044 -1.480 -2.304 1.00 34.44 C ATOM 0 H VAL A 58 -2.880 -1.646 -4.018 1.00 52.22 H new ATOM 0 HA VAL A 58 -4.126 -4.059 -2.993 1.00 72.40 H new ATOM 0 HB VAL A 58 -5.320 -1.660 -4.435 1.00 21.12 H new ATOM 0 HG11 VAL A 58 -7.449 -2.305 -3.340 1.00 4.21 H new ATOM 0 HG12 VAL A 58 -6.848 -3.564 -4.445 1.00 4.21 H new ATOM 0 HG13 VAL A 58 -6.660 -3.760 -2.686 1.00 4.21 H new ATOM 0 HG21 VAL A 58 -5.876 -0.791 -2.160 1.00 34.44 H new ATOM 0 HG22 VAL A 58 -4.963 -2.137 -1.438 1.00 34.44 H new ATOM 0 HG23 VAL A 58 -4.119 -0.914 -2.418 1.00 34.44 H new ATOM 939 N ASN A 59 -3.692 -5.310 -5.206 1.00 31.04 N ATOM 940 CA ASN A 59 -3.669 -6.141 -6.422 1.00 25.44 C ATOM 941 C ASN A 59 -4.501 -7.404 -6.163 1.00 72.10 C ATOM 942 O ASN A 59 -4.129 -8.238 -5.328 1.00 74.01 O ATOM 943 CB ASN A 59 -2.191 -6.481 -6.794 1.00 21.14 C ATOM 944 CG ASN A 59 -2.012 -7.135 -8.180 1.00 23.43 C ATOM 945 OD1 ASN A 59 -2.856 -7.898 -8.652 1.00 0.42 O ATOM 946 ND2 ASN A 59 -0.904 -6.832 -8.855 1.00 62.15 N ATOM 0 H ASN A 59 -3.239 -5.748 -4.404 1.00 31.04 H new ATOM 0 HA ASN A 59 -4.104 -5.608 -7.268 1.00 25.44 H new ATOM 0 HB2 ASN A 59 -1.602 -5.565 -6.760 1.00 21.14 H new ATOM 0 HB3 ASN A 59 -1.784 -7.150 -6.036 1.00 21.14 H new ATOM 0 HD21 ASN A 59 -0.744 -7.234 -9.779 1.00 62.15 H new ATOM 0 HD22 ASN A 59 -0.216 -6.198 -8.448 1.00 62.15 H new ATOM 953 N GLY A 60 -5.640 -7.510 -6.873 1.00 42.45 N ATOM 954 CA GLY A 60 -6.576 -8.623 -6.710 1.00 22.21 C ATOM 955 C GLY A 60 -7.546 -8.418 -5.543 1.00 50.34 C ATOM 956 O GLY A 60 -8.043 -9.391 -4.980 1.00 43.41 O ATOM 0 H GLY A 60 -5.931 -6.826 -7.572 1.00 42.45 H new ATOM 0 HA2 GLY A 60 -7.145 -8.751 -7.631 1.00 22.21 H new ATOM 0 HA3 GLY A 60 -6.014 -9.544 -6.552 1.00 22.21 H new ATOM 960 N ALA A 61 -7.818 -7.145 -5.196 1.00 73.45 N ATOM 961 CA ALA A 61 -8.723 -6.765 -4.082 1.00 34.04 C ATOM 962 C ALA A 61 -9.601 -5.566 -4.500 1.00 25.03 C ATOM 963 O ALA A 61 -9.505 -5.100 -5.643 1.00 63.42 O ATOM 964 CB ALA A 61 -7.896 -6.452 -2.824 1.00 40.44 C ATOM 0 H ALA A 61 -7.416 -6.343 -5.681 1.00 73.45 H new ATOM 0 HA ALA A 61 -9.388 -7.597 -3.849 1.00 34.04 H new ATOM 0 HB1 ALA A 61 -8.564 -6.174 -2.009 1.00 40.44 H new ATOM 0 HB2 ALA A 61 -7.322 -7.333 -2.537 1.00 40.44 H new ATOM 0 HB3 ALA A 61 -7.215 -5.627 -3.032 1.00 40.44 H new ATOM 970 N SER A 62 -10.445 -5.063 -3.573 1.00 60.11 N ATOM 971 CA SER A 62 -11.433 -4.012 -3.889 1.00 64.42 C ATOM 972 C SER A 62 -11.678 -3.082 -2.669 1.00 34.14 C ATOM 973 O SER A 62 -10.979 -3.184 -1.646 1.00 42.23 O ATOM 974 CB SER A 62 -12.743 -4.693 -4.380 1.00 52.14 C ATOM 975 OG SER A 62 -13.683 -3.749 -4.876 1.00 75.24 O ATOM 0 H SER A 62 -10.461 -5.369 -2.600 1.00 60.11 H new ATOM 0 HA SER A 62 -11.049 -3.372 -4.683 1.00 64.42 H new ATOM 0 HB2 SER A 62 -12.505 -5.413 -5.163 1.00 52.14 H new ATOM 0 HB3 SER A 62 -13.190 -5.252 -3.558 1.00 52.14 H new ATOM 0 HG SER A 62 -14.490 -4.217 -5.176 1.00 75.24 H new ATOM 981 N GLN A 63 -12.683 -2.172 -2.812 1.00 50.14 N ATOM 982 CA GLN A 63 -13.052 -1.139 -1.815 1.00 11.54 C ATOM 983 C GLN A 63 -13.317 -1.729 -0.414 1.00 43.22 C ATOM 984 O GLN A 63 -12.987 -1.090 0.590 1.00 32.44 O ATOM 985 CB GLN A 63 -14.298 -0.343 -2.321 1.00 2.54 C ATOM 986 CG GLN A 63 -14.785 0.803 -1.395 1.00 45.22 C ATOM 987 CD GLN A 63 -13.732 1.889 -1.160 1.00 34.52 C ATOM 988 OE1 GLN A 63 -13.620 2.843 -1.928 1.00 62.33 O ATOM 989 NE2 GLN A 63 -12.966 1.767 -0.088 1.00 62.45 N ATOM 0 H GLN A 63 -13.270 -2.140 -3.646 1.00 50.14 H new ATOM 0 HA GLN A 63 -12.201 -0.466 -1.710 1.00 11.54 H new ATOM 0 HB2 GLN A 63 -14.064 0.079 -3.299 1.00 2.54 H new ATOM 0 HB3 GLN A 63 -15.120 -1.044 -2.465 1.00 2.54 H new ATOM 0 HG2 GLN A 63 -15.674 1.259 -1.831 1.00 45.22 H new ATOM 0 HG3 GLN A 63 -15.081 0.382 -0.434 1.00 45.22 H new ATOM 0 HE21 GLN A 63 -13.080 0.965 0.532 1.00 62.45 H new ATOM 0 HE22 GLN A 63 -12.261 2.475 0.118 1.00 62.45 H new ATOM 998 N ASN A 64 -13.908 -2.944 -0.360 1.00 53.34 N ATOM 999 CA ASN A 64 -14.139 -3.669 0.906 1.00 10.23 C ATOM 1000 C ASN A 64 -12.819 -3.815 1.676 1.00 43.33 C ATOM 1001 O ASN A 64 -12.719 -3.366 2.811 1.00 51.02 O ATOM 1002 CB ASN A 64 -14.755 -5.076 0.655 1.00 45.24 C ATOM 1003 CG ASN A 64 -14.979 -5.905 1.942 1.00 22.04 C ATOM 1004 OD1 ASN A 64 -14.793 -7.123 1.954 1.00 11.41 O ATOM 1005 ND2 ASN A 64 -15.431 -5.272 3.021 1.00 0.04 N ATOM 0 H ASN A 64 -14.235 -3.444 -1.186 1.00 53.34 H new ATOM 0 HA ASN A 64 -14.848 -3.088 1.496 1.00 10.23 H new ATOM 0 HB2 ASN A 64 -15.709 -4.957 0.141 1.00 45.24 H new ATOM 0 HB3 ASN A 64 -14.100 -5.634 -0.014 1.00 45.24 H new ATOM 0 HD21 ASN A 64 -15.629 -5.795 3.874 1.00 0.04 H new ATOM 0 HD22 ASN A 64 -15.580 -4.263 2.996 1.00 0.04 H new ATOM 1012 N ASP A 65 -11.797 -4.351 0.985 1.00 23.41 N ATOM 1013 CA ASP A 65 -10.483 -4.665 1.579 1.00 12.14 C ATOM 1014 C ASP A 65 -9.767 -3.372 2.007 1.00 23.23 C ATOM 1015 O ASP A 65 -9.085 -3.342 3.025 1.00 11.21 O ATOM 1016 CB ASP A 65 -9.612 -5.456 0.572 1.00 1.21 C ATOM 1017 CG ASP A 65 -10.294 -6.747 0.088 1.00 24.11 C ATOM 1018 OD1 ASP A 65 -10.154 -7.798 0.759 1.00 3.40 O ATOM 1019 OD2 ASP A 65 -11.013 -6.698 -0.942 1.00 2.32 O ATOM 0 H ASP A 65 -11.859 -4.580 -0.007 1.00 23.41 H new ATOM 0 HA ASP A 65 -10.640 -5.284 2.463 1.00 12.14 H new ATOM 0 HB2 ASP A 65 -9.390 -4.823 -0.287 1.00 1.21 H new ATOM 0 HB3 ASP A 65 -8.659 -5.706 1.039 1.00 1.21 H new ATOM 1024 N VAL A 66 -9.967 -2.305 1.214 1.00 1.24 N ATOM 1025 CA VAL A 66 -9.463 -0.949 1.519 1.00 5.54 C ATOM 1026 C VAL A 66 -10.022 -0.457 2.873 1.00 24.12 C ATOM 1027 O VAL A 66 -9.272 0.028 3.722 1.00 33.42 O ATOM 1028 CB VAL A 66 -9.850 0.045 0.356 1.00 40.55 C ATOM 1029 CG1 VAL A 66 -9.564 1.524 0.711 1.00 63.33 C ATOM 1030 CG2 VAL A 66 -9.134 -0.365 -0.953 1.00 41.21 C ATOM 0 H VAL A 66 -10.486 -2.357 0.337 1.00 1.24 H new ATOM 0 HA VAL A 66 -8.376 -0.985 1.596 1.00 5.54 H new ATOM 0 HB VAL A 66 -10.928 -0.028 0.211 1.00 40.55 H new ATOM 0 HG11 VAL A 66 -9.850 2.161 -0.126 1.00 63.33 H new ATOM 0 HG12 VAL A 66 -10.139 1.804 1.593 1.00 63.33 H new ATOM 0 HG13 VAL A 66 -8.501 1.650 0.916 1.00 63.33 H new ATOM 0 HG21 VAL A 66 -9.408 0.327 -1.749 1.00 41.21 H new ATOM 0 HG22 VAL A 66 -8.055 -0.336 -0.802 1.00 41.21 H new ATOM 0 HG23 VAL A 66 -9.434 -1.375 -1.231 1.00 41.21 H new ATOM 1040 N ASN A 67 -11.337 -0.650 3.067 1.00 44.40 N ATOM 1041 CA ASN A 67 -12.052 -0.231 4.291 1.00 24.40 C ATOM 1042 C ASN A 67 -11.634 -1.086 5.495 1.00 0.44 C ATOM 1043 O ASN A 67 -11.475 -0.561 6.596 1.00 13.04 O ATOM 1044 CB ASN A 67 -13.591 -0.322 4.088 1.00 74.30 C ATOM 1045 CG ASN A 67 -14.107 0.594 2.976 1.00 21.45 C ATOM 1046 OD1 ASN A 67 -13.542 1.660 2.709 1.00 35.11 O ATOM 1047 ND2 ASN A 67 -15.177 0.190 2.319 1.00 64.41 N ATOM 0 H ASN A 67 -11.939 -1.102 2.379 1.00 44.40 H new ATOM 0 HA ASN A 67 -11.783 0.806 4.492 1.00 24.40 H new ATOM 0 HB2 ASN A 67 -13.860 -1.352 3.855 1.00 74.30 H new ATOM 0 HB3 ASN A 67 -14.090 -0.065 5.022 1.00 74.30 H new ATOM 0 HD21 ASN A 67 -15.560 0.763 1.567 1.00 64.41 H new ATOM 0 HD22 ASN A 67 -15.621 -0.695 2.563 1.00 64.41 H new ATOM 1054 N GLU A 68 -11.438 -2.401 5.259 1.00 73.12 N ATOM 1055 CA GLU A 68 -11.055 -3.359 6.316 1.00 25.11 C ATOM 1056 C GLU A 68 -9.610 -3.110 6.774 1.00 75.42 C ATOM 1057 O GLU A 68 -9.283 -3.317 7.945 1.00 43.52 O ATOM 1058 CB GLU A 68 -11.228 -4.824 5.843 1.00 32.41 C ATOM 1059 CG GLU A 68 -12.648 -5.178 5.346 1.00 22.23 C ATOM 1060 CD GLU A 68 -13.775 -4.765 6.310 1.00 50.25 C ATOM 1061 OE1 GLU A 68 -13.923 -5.416 7.370 1.00 54.02 O ATOM 1062 OE2 GLU A 68 -14.515 -3.789 6.017 1.00 44.32 O ATOM 0 H GLU A 68 -11.540 -2.825 4.337 1.00 73.12 H new ATOM 0 HA GLU A 68 -11.723 -3.201 7.163 1.00 25.11 H new ATOM 0 HB2 GLU A 68 -10.517 -5.019 5.040 1.00 32.41 H new ATOM 0 HB3 GLU A 68 -10.969 -5.490 6.666 1.00 32.41 H new ATOM 0 HG2 GLU A 68 -12.814 -4.696 4.383 1.00 22.23 H new ATOM 0 HG3 GLU A 68 -12.705 -6.254 5.178 1.00 22.23 H new ATOM 1069 N PHE A 69 -8.769 -2.667 5.821 1.00 2.42 N ATOM 1070 CA PHE A 69 -7.399 -2.205 6.089 1.00 55.20 C ATOM 1071 C PHE A 69 -7.437 -1.024 7.064 1.00 21.44 C ATOM 1072 O PHE A 69 -6.715 -1.010 8.058 1.00 24.43 O ATOM 1073 CB PHE A 69 -6.698 -1.806 4.751 1.00 14.35 C ATOM 1074 CG PHE A 69 -5.315 -1.167 4.904 1.00 10.32 C ATOM 1075 CD1 PHE A 69 -4.175 -1.953 5.095 1.00 4.14 C ATOM 1076 CD2 PHE A 69 -5.156 0.224 4.867 1.00 21.33 C ATOM 1077 CE1 PHE A 69 -2.932 -1.370 5.244 1.00 15.34 C ATOM 1078 CE2 PHE A 69 -3.912 0.800 5.015 1.00 71.54 C ATOM 1079 CZ PHE A 69 -2.804 0.004 5.205 1.00 74.44 C ATOM 0 H PHE A 69 -9.026 -2.620 4.835 1.00 2.42 H new ATOM 0 HA PHE A 69 -6.824 -3.011 6.544 1.00 55.20 H new ATOM 0 HB2 PHE A 69 -6.602 -2.697 4.130 1.00 14.35 H new ATOM 0 HB3 PHE A 69 -7.344 -1.111 4.214 1.00 14.35 H new ATOM 0 HD1 PHE A 69 -4.267 -3.029 5.126 1.00 4.14 H new ATOM 0 HD2 PHE A 69 -6.020 0.855 4.720 1.00 21.33 H new ATOM 0 HE1 PHE A 69 -2.060 -1.989 5.391 1.00 15.34 H new ATOM 0 HE2 PHE A 69 -3.806 1.874 4.982 1.00 71.54 H new ATOM 0 HZ PHE A 69 -1.831 0.457 5.324 1.00 74.44 H new ATOM 1089 N GLN A 70 -8.287 -0.039 6.732 1.00 5.35 N ATOM 1090 CA GLN A 70 -8.511 1.154 7.561 1.00 1.32 C ATOM 1091 C GLN A 70 -9.040 0.799 8.972 1.00 51.14 C ATOM 1092 O GLN A 70 -8.607 1.414 9.946 1.00 75.31 O ATOM 1093 CB GLN A 70 -9.472 2.125 6.833 1.00 32.32 C ATOM 1094 CG GLN A 70 -8.935 2.617 5.468 1.00 33.45 C ATOM 1095 CD GLN A 70 -9.870 3.575 4.733 1.00 42.31 C ATOM 1096 OE1 GLN A 70 -10.624 4.327 5.348 1.00 34.53 O ATOM 1097 NE2 GLN A 70 -9.832 3.559 3.408 1.00 72.00 N ATOM 0 H GLN A 70 -8.841 -0.049 5.876 1.00 5.35 H new ATOM 0 HA GLN A 70 -7.549 1.645 7.707 1.00 1.32 H new ATOM 0 HB2 GLN A 70 -10.430 1.629 6.680 1.00 32.32 H new ATOM 0 HB3 GLN A 70 -9.658 2.987 7.473 1.00 32.32 H new ATOM 0 HG2 GLN A 70 -7.977 3.112 5.625 1.00 33.45 H new ATOM 0 HG3 GLN A 70 -8.747 1.752 4.832 1.00 33.45 H new ATOM 0 HE21 GLN A 70 -9.197 2.925 2.924 1.00 72.00 H new ATOM 0 HE22 GLN A 70 -10.438 4.181 2.873 1.00 72.00 H new ATOM 1106 N ASN A 71 -9.954 -0.205 9.060 1.00 33.13 N ATOM 1107 CA ASN A 71 -10.550 -0.656 10.348 1.00 40.42 C ATOM 1108 C ASN A 71 -9.451 -1.164 11.291 1.00 64.34 C ATOM 1109 O ASN A 71 -9.239 -0.609 12.390 1.00 14.13 O ATOM 1110 CB ASN A 71 -11.620 -1.782 10.138 1.00 2.14 C ATOM 1111 CG ASN A 71 -12.811 -1.361 9.278 1.00 44.05 C ATOM 1112 OD1 ASN A 71 -13.379 -2.310 8.552 1.00 1.23 O flip ATOM 1113 ND2 ASN A 71 -13.225 -0.199 9.271 1.00 44.14 N flip ATOM 0 H ASN A 71 -10.296 -0.720 8.249 1.00 33.13 H new ATOM 0 HA ASN A 71 -11.050 0.205 10.791 1.00 40.42 H new ATOM 0 HB2 ASN A 71 -11.139 -2.644 9.675 1.00 2.14 H new ATOM 0 HB3 ASN A 71 -11.986 -2.106 11.112 1.00 2.14 H new ATOM 0 HD21 ASN A 71 -12.765 0.510 9.842 1.00 44.14 H new ATOM 0 HD22 ASN A 71 -14.027 0.053 8.694 1.00 44.14 H new ATOM 1120 N GLU A 72 -8.742 -2.217 10.826 1.00 44.02 N ATOM 1121 CA GLU A 72 -7.615 -2.815 11.551 1.00 42.55 C ATOM 1122 C GLU A 72 -6.577 -1.754 11.952 1.00 61.24 C ATOM 1123 O GLU A 72 -6.315 -1.576 13.136 1.00 4.53 O ATOM 1124 CB GLU A 72 -6.942 -3.936 10.712 1.00 64.51 C ATOM 1125 CG GLU A 72 -7.887 -5.070 10.260 1.00 73.35 C ATOM 1126 CD GLU A 72 -8.721 -5.670 11.407 1.00 72.42 C ATOM 1127 OE1 GLU A 72 -8.125 -6.235 12.349 1.00 21.21 O ATOM 1128 OE2 GLU A 72 -9.965 -5.587 11.374 1.00 45.42 O ATOM 0 H GLU A 72 -8.941 -2.672 9.935 1.00 44.02 H new ATOM 0 HA GLU A 72 -8.016 -3.258 12.462 1.00 42.55 H new ATOM 0 HB2 GLU A 72 -6.490 -3.486 9.828 1.00 64.51 H new ATOM 0 HB3 GLU A 72 -6.132 -4.370 11.298 1.00 64.51 H new ATOM 0 HG2 GLU A 72 -8.561 -4.687 9.494 1.00 73.35 H new ATOM 0 HG3 GLU A 72 -7.297 -5.861 9.798 1.00 73.35 H new ATOM 1135 N ALA A 73 -6.069 -1.006 10.966 1.00 0.25 N ATOM 1136 CA ALA A 73 -4.948 -0.069 11.166 1.00 41.11 C ATOM 1137 C ALA A 73 -5.272 1.004 12.227 1.00 31.11 C ATOM 1138 O ALA A 73 -4.490 1.193 13.164 1.00 64.35 O ATOM 1139 CB ALA A 73 -4.551 0.569 9.829 1.00 63.03 C ATOM 0 H ALA A 73 -6.419 -1.030 10.008 1.00 0.25 H new ATOM 0 HA ALA A 73 -4.099 -0.637 11.548 1.00 41.11 H new ATOM 0 HB1 ALA A 73 -3.722 1.259 9.987 1.00 63.03 H new ATOM 0 HB2 ALA A 73 -4.246 -0.210 9.130 1.00 63.03 H new ATOM 0 HB3 ALA A 73 -5.402 1.112 9.418 1.00 63.03 H new ATOM 1145 N LYS A 74 -6.447 1.664 12.097 1.00 12.43 N ATOM 1146 CA LYS A 74 -6.867 2.711 13.056 1.00 54.34 C ATOM 1147 C LYS A 74 -7.004 2.148 14.500 1.00 52.43 C ATOM 1148 O LYS A 74 -6.615 2.823 15.461 1.00 62.44 O ATOM 1149 CB LYS A 74 -8.185 3.433 12.610 1.00 4.42 C ATOM 1150 CG LYS A 74 -9.495 2.624 12.791 1.00 35.44 C ATOM 1151 CD LYS A 74 -10.767 3.392 12.344 1.00 53.34 C ATOM 1152 CE LYS A 74 -10.823 3.675 10.834 1.00 44.31 C ATOM 1153 NZ LYS A 74 -12.079 4.383 10.445 1.00 64.44 N ATOM 0 H LYS A 74 -7.114 1.492 11.345 1.00 12.43 H new ATOM 0 HA LYS A 74 -6.074 3.459 13.061 1.00 54.34 H new ATOM 0 HB2 LYS A 74 -8.275 4.363 13.171 1.00 4.42 H new ATOM 0 HB3 LYS A 74 -8.090 3.703 11.558 1.00 4.42 H new ATOM 0 HG2 LYS A 74 -9.421 1.697 12.222 1.00 35.44 H new ATOM 0 HG3 LYS A 74 -9.598 2.346 13.840 1.00 35.44 H new ATOM 0 HD2 LYS A 74 -11.647 2.815 12.629 1.00 53.34 H new ATOM 0 HD3 LYS A 74 -10.817 4.338 12.883 1.00 53.34 H new ATOM 0 HE2 LYS A 74 -9.962 4.278 10.546 1.00 44.31 H new ATOM 0 HE3 LYS A 74 -10.751 2.736 10.286 1.00 44.31 H new ATOM 0 HZ1 LYS A 74 -12.077 4.555 9.419 1.00 64.44 H new ATOM 0 HZ2 LYS A 74 -12.900 3.796 10.696 1.00 64.44 H new ATOM 0 HZ3 LYS A 74 -12.135 5.291 10.948 1.00 64.44 H new ATOM 1167 N LYS A 75 -7.519 0.893 14.655 1.00 52.20 N ATOM 1168 CA LYS A 75 -7.757 0.298 15.999 1.00 42.50 C ATOM 1169 C LYS A 75 -6.482 -0.380 16.570 1.00 32.21 C ATOM 1170 O LYS A 75 -6.419 -0.666 17.773 1.00 30.24 O ATOM 1171 CB LYS A 75 -8.953 -0.701 15.958 1.00 65.05 C ATOM 1172 CG LYS A 75 -8.651 -2.068 15.313 1.00 10.44 C ATOM 1173 CD LYS A 75 -9.888 -2.989 15.242 1.00 51.43 C ATOM 1174 CE LYS A 75 -9.527 -4.409 14.799 1.00 51.34 C ATOM 1175 NZ LYS A 75 -8.636 -5.086 15.776 1.00 74.54 N ATOM 0 H LYS A 75 -7.773 0.284 13.877 1.00 52.20 H new ATOM 0 HA LYS A 75 -8.014 1.114 16.675 1.00 42.50 H new ATOM 0 HB2 LYS A 75 -9.300 -0.868 16.978 1.00 65.05 H new ATOM 0 HB3 LYS A 75 -9.775 -0.235 15.414 1.00 65.05 H new ATOM 0 HG2 LYS A 75 -8.264 -1.911 14.306 1.00 10.44 H new ATOM 0 HG3 LYS A 75 -7.866 -2.566 15.882 1.00 10.44 H new ATOM 0 HD2 LYS A 75 -10.368 -3.026 16.220 1.00 51.43 H new ATOM 0 HD3 LYS A 75 -10.614 -2.567 14.547 1.00 51.43 H new ATOM 0 HE2 LYS A 75 -10.439 -4.993 14.674 1.00 51.34 H new ATOM 0 HE3 LYS A 75 -9.037 -4.372 13.826 1.00 51.34 H new ATOM 0 HZ1 LYS A 75 -8.579 -6.099 15.550 1.00 74.54 H new ATOM 0 HZ2 LYS A 75 -7.686 -4.666 15.728 1.00 74.54 H new ATOM 0 HZ3 LYS A 75 -9.019 -4.967 16.736 1.00 74.54 H new ATOM 1189 N GLU A 76 -5.486 -0.654 15.701 1.00 62.33 N ATOM 1190 CA GLU A 76 -4.164 -1.193 16.120 1.00 24.11 C ATOM 1191 C GLU A 76 -3.152 -0.050 16.361 1.00 14.51 C ATOM 1192 O GLU A 76 -2.014 -0.304 16.773 1.00 44.00 O ATOM 1193 CB GLU A 76 -3.593 -2.178 15.060 1.00 0.44 C ATOM 1194 CG GLU A 76 -4.464 -3.415 14.745 1.00 32.24 C ATOM 1195 CD GLU A 76 -4.806 -4.272 15.969 1.00 10.12 C ATOM 1196 OE1 GLU A 76 -3.935 -5.038 16.429 1.00 11.15 O ATOM 1197 OE2 GLU A 76 -5.948 -4.201 16.471 1.00 12.24 O ATOM 0 H GLU A 76 -5.569 -0.511 14.695 1.00 62.33 H new ATOM 0 HA GLU A 76 -4.318 -1.735 17.053 1.00 24.11 H new ATOM 0 HB2 GLU A 76 -3.429 -1.628 14.133 1.00 0.44 H new ATOM 0 HB3 GLU A 76 -2.617 -2.523 15.402 1.00 0.44 H new ATOM 0 HG2 GLU A 76 -5.391 -3.083 14.278 1.00 32.24 H new ATOM 0 HG3 GLU A 76 -3.944 -4.035 14.015 1.00 32.24 H new ATOM 1204 N GLY A 77 -3.575 1.200 16.082 1.00 51.52 N ATOM 1205 CA GLY A 77 -2.729 2.383 16.275 1.00 34.12 C ATOM 1206 C GLY A 77 -1.652 2.547 15.207 1.00 22.14 C ATOM 1207 O GLY A 77 -0.636 3.196 15.444 1.00 70.10 O ATOM 0 H GLY A 77 -4.505 1.411 15.720 1.00 51.52 H new ATOM 0 HA2 GLY A 77 -3.359 3.272 16.282 1.00 34.12 H new ATOM 0 HA3 GLY A 77 -2.252 2.322 17.253 1.00 34.12 H new ATOM 1211 N VAL A 78 -1.882 1.945 14.031 1.00 4.24 N ATOM 1212 CA VAL A 78 -1.010 2.070 12.847 1.00 11.10 C ATOM 1213 C VAL A 78 -1.506 3.233 11.957 1.00 1.22 C ATOM 1214 O VAL A 78 -2.709 3.326 11.673 1.00 32.21 O ATOM 1215 CB VAL A 78 -0.997 0.723 12.016 1.00 44.23 C ATOM 1216 CG1 VAL A 78 -0.077 0.808 10.774 1.00 71.12 C ATOM 1217 CG2 VAL A 78 -0.606 -0.474 12.918 1.00 24.52 C ATOM 0 H VAL A 78 -2.692 1.347 13.870 1.00 4.24 H new ATOM 0 HA VAL A 78 0.006 2.276 13.183 1.00 11.10 H new ATOM 0 HB VAL A 78 -2.010 0.562 11.647 1.00 44.23 H new ATOM 0 HG11 VAL A 78 -0.102 -0.140 10.237 1.00 71.12 H new ATOM 0 HG12 VAL A 78 -0.425 1.606 10.118 1.00 71.12 H new ATOM 0 HG13 VAL A 78 0.944 1.018 11.091 1.00 71.12 H new ATOM 0 HG21 VAL A 78 -0.603 -1.390 12.327 1.00 24.52 H new ATOM 0 HG22 VAL A 78 0.388 -0.307 13.333 1.00 24.52 H new ATOM 0 HG23 VAL A 78 -1.327 -0.569 13.730 1.00 24.52 H new ATOM 1227 N SER A 79 -0.577 4.114 11.531 1.00 34.43 N ATOM 1228 CA SER A 79 -0.891 5.230 10.620 1.00 64.14 C ATOM 1229 C SER A 79 -0.913 4.724 9.161 1.00 62.03 C ATOM 1230 O SER A 79 -0.266 3.720 8.837 1.00 64.22 O ATOM 1231 CB SER A 79 0.153 6.360 10.778 1.00 51.04 C ATOM 1232 OG SER A 79 0.214 6.833 12.110 1.00 75.12 O ATOM 0 H SER A 79 0.404 4.071 11.807 1.00 34.43 H new ATOM 0 HA SER A 79 -1.874 5.628 10.873 1.00 64.14 H new ATOM 0 HB2 SER A 79 1.134 5.994 10.477 1.00 51.04 H new ATOM 0 HB3 SER A 79 -0.099 7.184 10.110 1.00 51.04 H new ATOM 0 HG SER A 79 0.885 7.545 12.174 1.00 75.12 H new ATOM 1238 N TYR A 80 -1.655 5.429 8.289 1.00 11.32 N ATOM 1239 CA TYR A 80 -1.786 5.065 6.865 1.00 12.40 C ATOM 1240 C TYR A 80 -2.252 6.274 6.039 1.00 53.04 C ATOM 1241 O TYR A 80 -3.049 7.096 6.518 1.00 33.01 O ATOM 1242 CB TYR A 80 -2.769 3.868 6.685 1.00 23.23 C ATOM 1243 CG TYR A 80 -4.188 4.100 7.247 1.00 13.52 C ATOM 1244 CD1 TYR A 80 -4.476 3.872 8.598 1.00 1.24 C ATOM 1245 CD2 TYR A 80 -5.240 4.537 6.430 1.00 12.23 C ATOM 1246 CE1 TYR A 80 -5.746 4.073 9.108 1.00 12.22 C ATOM 1247 CE2 TYR A 80 -6.504 4.740 6.943 1.00 13.45 C ATOM 1248 CZ TYR A 80 -6.753 4.503 8.275 1.00 0.33 C ATOM 1249 OH TYR A 80 -8.024 4.707 8.779 1.00 61.14 O ATOM 0 H TYR A 80 -2.179 6.264 8.549 1.00 11.32 H new ATOM 0 HA TYR A 80 -0.805 4.756 6.503 1.00 12.40 H new ATOM 0 HB2 TYR A 80 -2.848 3.639 5.622 1.00 23.23 H new ATOM 0 HB3 TYR A 80 -2.342 2.990 7.169 1.00 23.23 H new ATOM 0 HD1 TYR A 80 -3.690 3.532 9.256 1.00 1.24 H new ATOM 0 HD2 TYR A 80 -5.058 4.718 5.381 1.00 12.23 H new ATOM 0 HE1 TYR A 80 -5.946 3.893 10.154 1.00 12.22 H new ATOM 0 HE2 TYR A 80 -7.299 5.085 6.299 1.00 13.45 H new ATOM 0 HH TYR A 80 -8.616 5.011 8.060 1.00 61.14 H new ATOM 1259 N ASP A 81 -1.746 6.364 4.802 1.00 53.00 N ATOM 1260 CA ASP A 81 -2.196 7.341 3.793 1.00 32.14 C ATOM 1261 C ASP A 81 -2.754 6.570 2.608 1.00 14.32 C ATOM 1262 O ASP A 81 -2.072 5.697 2.067 1.00 30.42 O ATOM 1263 CB ASP A 81 -1.033 8.256 3.304 1.00 2.13 C ATOM 1264 CG ASP A 81 -0.532 9.278 4.342 1.00 33.35 C ATOM 1265 OD1 ASP A 81 -1.307 9.676 5.251 1.00 71.13 O ATOM 1266 OD2 ASP A 81 0.644 9.707 4.256 1.00 54.13 O ATOM 0 H ASP A 81 -1.002 5.753 4.466 1.00 53.00 H new ATOM 0 HA ASP A 81 -2.951 7.984 4.245 1.00 32.14 H new ATOM 0 HB2 ASP A 81 -0.196 7.626 3.003 1.00 2.13 H new ATOM 0 HB3 ASP A 81 -1.363 8.794 2.415 1.00 2.13 H new ATOM 1271 N VAL A 82 -3.996 6.874 2.222 1.00 3.22 N ATOM 1272 CA VAL A 82 -4.622 6.292 1.032 1.00 20.24 C ATOM 1273 C VAL A 82 -4.266 7.152 -0.196 1.00 23.31 C ATOM 1274 O VAL A 82 -4.326 8.384 -0.137 1.00 71.52 O ATOM 1275 CB VAL A 82 -6.189 6.177 1.181 1.00 63.25 C ATOM 1276 CG1 VAL A 82 -6.825 5.593 -0.103 1.00 54.11 C ATOM 1277 CG2 VAL A 82 -6.577 5.339 2.430 1.00 25.32 C ATOM 0 H VAL A 82 -4.595 7.529 2.725 1.00 3.22 H new ATOM 0 HA VAL A 82 -4.238 5.280 0.906 1.00 20.24 H new ATOM 0 HB VAL A 82 -6.585 7.183 1.324 1.00 63.25 H new ATOM 0 HG11 VAL A 82 -7.905 5.524 0.025 1.00 54.11 H new ATOM 0 HG12 VAL A 82 -6.601 6.243 -0.948 1.00 54.11 H new ATOM 0 HG13 VAL A 82 -6.418 4.600 -0.291 1.00 54.11 H new ATOM 0 HG21 VAL A 82 -7.663 5.278 2.505 1.00 25.32 H new ATOM 0 HG22 VAL A 82 -6.163 4.335 2.337 1.00 25.32 H new ATOM 0 HG23 VAL A 82 -6.178 5.815 3.326 1.00 25.32 H new ATOM 1287 N LEU A 83 -3.890 6.487 -1.289 1.00 55.42 N ATOM 1288 CA LEU A 83 -3.509 7.114 -2.557 1.00 73.55 C ATOM 1289 C LEU A 83 -4.364 6.507 -3.676 1.00 24.20 C ATOM 1290 O LEU A 83 -4.420 5.287 -3.802 1.00 14.33 O ATOM 1291 CB LEU A 83 -1.999 6.849 -2.816 1.00 33.10 C ATOM 1292 CG LEU A 83 -1.419 7.344 -4.182 1.00 22.55 C ATOM 1293 CD1 LEU A 83 -1.469 8.880 -4.300 1.00 31.24 C ATOM 1294 CD2 LEU A 83 0.009 6.792 -4.401 1.00 34.42 C ATOM 0 H LEU A 83 -3.840 5.469 -1.318 1.00 55.42 H new ATOM 0 HA LEU A 83 -3.675 8.191 -2.524 1.00 73.55 H new ATOM 0 HB2 LEU A 83 -1.429 7.320 -2.015 1.00 33.10 H new ATOM 0 HB3 LEU A 83 -1.825 5.775 -2.742 1.00 33.10 H new ATOM 0 HG LEU A 83 -2.051 6.951 -4.978 1.00 22.55 H new ATOM 0 HD11 LEU A 83 -1.057 9.185 -5.262 1.00 31.24 H new ATOM 0 HD12 LEU A 83 -2.503 9.217 -4.224 1.00 31.24 H new ATOM 0 HD13 LEU A 83 -0.882 9.326 -3.497 1.00 31.24 H new ATOM 0 HD21 LEU A 83 0.394 7.148 -5.357 1.00 34.42 H new ATOM 0 HD22 LEU A 83 0.659 7.136 -3.597 1.00 34.42 H new ATOM 0 HD23 LEU A 83 -0.019 5.702 -4.404 1.00 34.42 H new ATOM 1306 N LYS A 84 -5.062 7.352 -4.459 1.00 63.42 N ATOM 1307 CA LYS A 84 -5.852 6.903 -5.625 1.00 11.52 C ATOM 1308 C LYS A 84 -5.387 7.659 -6.878 1.00 21.12 C ATOM 1309 O LYS A 84 -5.662 8.857 -7.025 1.00 72.21 O ATOM 1310 CB LYS A 84 -7.377 7.118 -5.410 1.00 54.14 C ATOM 1311 CG LYS A 84 -7.964 6.461 -4.140 1.00 43.14 C ATOM 1312 CD LYS A 84 -9.508 6.386 -4.173 1.00 73.34 C ATOM 1313 CE LYS A 84 -10.110 5.922 -2.843 1.00 41.32 C ATOM 1314 NZ LYS A 84 -9.944 6.945 -1.780 1.00 62.34 N ATOM 0 H LYS A 84 -5.095 8.360 -4.304 1.00 63.42 H new ATOM 0 HA LYS A 84 -5.688 5.833 -5.752 1.00 11.52 H new ATOM 0 HB2 LYS A 84 -7.574 8.189 -5.369 1.00 54.14 H new ATOM 0 HB3 LYS A 84 -7.908 6.729 -6.279 1.00 54.14 H new ATOM 0 HG2 LYS A 84 -7.557 5.456 -4.033 1.00 43.14 H new ATOM 0 HG3 LYS A 84 -7.649 7.027 -3.263 1.00 43.14 H new ATOM 0 HD2 LYS A 84 -9.909 7.368 -4.425 1.00 73.34 H new ATOM 0 HD3 LYS A 84 -9.817 5.703 -4.964 1.00 73.34 H new ATOM 0 HE2 LYS A 84 -11.170 5.706 -2.979 1.00 41.32 H new ATOM 0 HE3 LYS A 84 -9.633 4.993 -2.532 1.00 41.32 H new ATOM 0 HZ1 LYS A 84 -10.492 6.666 -0.941 1.00 62.34 H new ATOM 0 HZ2 LYS A 84 -8.938 7.022 -1.526 1.00 62.34 H new ATOM 0 HZ3 LYS A 84 -10.285 7.864 -2.127 1.00 62.34 H new ATOM 1328 N SER A 85 -4.662 6.952 -7.760 1.00 62.04 N ATOM 1329 CA SER A 85 -4.152 7.496 -9.033 1.00 4.25 C ATOM 1330 C SER A 85 -3.980 6.352 -10.051 1.00 35.42 C ATOM 1331 O SER A 85 -3.501 5.280 -9.691 1.00 41.42 O ATOM 1332 CB SER A 85 -2.795 8.220 -8.811 1.00 62.33 C ATOM 1333 OG SER A 85 -2.899 9.258 -7.845 1.00 2.43 O ATOM 0 H SER A 85 -4.410 5.975 -7.609 1.00 62.04 H new ATOM 0 HA SER A 85 -4.869 8.220 -9.420 1.00 4.25 H new ATOM 0 HB2 SER A 85 -2.046 7.497 -8.487 1.00 62.33 H new ATOM 0 HB3 SER A 85 -2.447 8.637 -9.756 1.00 62.33 H new ATOM 0 HG SER A 85 -2.435 10.057 -8.172 1.00 2.43 H new ATOM 1339 N THR A 86 -4.377 6.585 -11.312 1.00 73.33 N ATOM 1340 CA THR A 86 -4.148 5.650 -12.426 1.00 61.34 C ATOM 1341 C THR A 86 -3.112 6.294 -13.363 1.00 10.43 C ATOM 1342 O THR A 86 -3.474 7.022 -14.295 1.00 74.22 O ATOM 1343 CB THR A 86 -5.482 5.303 -13.196 1.00 31.31 C ATOM 1344 OG1 THR A 86 -6.242 6.501 -13.438 1.00 40.54 O ATOM 1345 CG2 THR A 86 -6.358 4.295 -12.434 1.00 41.02 C ATOM 0 H THR A 86 -4.870 7.434 -11.590 1.00 73.33 H new ATOM 0 HA THR A 86 -3.776 4.701 -12.039 1.00 61.34 H new ATOM 0 HB THR A 86 -5.189 4.844 -14.140 1.00 31.31 H new ATOM 0 HG1 THR A 86 -5.654 7.192 -13.807 1.00 40.54 H new ATOM 0 HG21 THR A 86 -7.262 4.092 -13.008 1.00 41.02 H new ATOM 0 HG22 THR A 86 -5.804 3.368 -12.290 1.00 41.02 H new ATOM 0 HG23 THR A 86 -6.630 4.710 -11.463 1.00 41.02 H new ATOM 1353 N ASP A 87 -1.818 6.064 -13.053 1.00 40.12 N ATOM 1354 CA ASP A 87 -0.686 6.643 -13.795 1.00 43.22 C ATOM 1355 C ASP A 87 0.625 5.963 -13.319 1.00 42.14 C ATOM 1356 O ASP A 87 0.936 6.005 -12.119 1.00 65.40 O ATOM 1357 CB ASP A 87 -0.602 8.184 -13.596 1.00 60.42 C ATOM 1358 CG ASP A 87 0.448 8.840 -14.513 1.00 70.45 C ATOM 1359 OD1 ASP A 87 1.655 8.796 -14.182 1.00 44.41 O ATOM 1360 OD2 ASP A 87 0.078 9.388 -15.577 1.00 20.34 O ATOM 0 H ASP A 87 -1.532 5.468 -12.276 1.00 40.12 H new ATOM 0 HA ASP A 87 -0.833 6.463 -14.860 1.00 43.22 H new ATOM 0 HB2 ASP A 87 -1.579 8.626 -13.792 1.00 60.42 H new ATOM 0 HB3 ASP A 87 -0.357 8.400 -12.556 1.00 60.42 H new ATOM 1365 N PRO A 88 1.414 5.334 -14.248 1.00 71.42 N ATOM 1366 CA PRO A 88 2.598 4.517 -13.885 1.00 45.05 C ATOM 1367 C PRO A 88 3.724 5.320 -13.183 1.00 10.10 C ATOM 1368 O PRO A 88 4.336 4.814 -12.244 1.00 2.45 O ATOM 1369 CB PRO A 88 3.068 3.922 -15.243 1.00 54.21 C ATOM 1370 CG PRO A 88 2.528 4.864 -16.274 1.00 31.43 C ATOM 1371 CD PRO A 88 1.210 5.355 -15.724 1.00 25.02 C ATOM 0 HA PRO A 88 2.343 3.756 -13.147 1.00 45.05 H new ATOM 0 HB2 PRO A 88 4.155 3.859 -15.294 1.00 54.21 H new ATOM 0 HB3 PRO A 88 2.683 2.912 -15.388 1.00 54.21 H new ATOM 0 HG2 PRO A 88 3.215 5.693 -16.445 1.00 31.43 H new ATOM 0 HG3 PRO A 88 2.390 4.361 -17.231 1.00 31.43 H new ATOM 0 HD2 PRO A 88 0.975 6.358 -16.082 1.00 25.02 H new ATOM 0 HD3 PRO A 88 0.385 4.708 -16.024 1.00 25.02 H new ATOM 1379 N GLU A 89 3.969 6.575 -13.608 1.00 25.04 N ATOM 1380 CA GLU A 89 5.116 7.362 -13.080 1.00 75.21 C ATOM 1381 C GLU A 89 4.708 8.140 -11.817 1.00 54.13 C ATOM 1382 O GLU A 89 5.548 8.435 -10.964 1.00 44.31 O ATOM 1383 CB GLU A 89 5.712 8.319 -14.149 1.00 62.32 C ATOM 1384 CG GLU A 89 4.827 9.509 -14.543 1.00 61.22 C ATOM 1385 CD GLU A 89 5.486 10.425 -15.580 1.00 1.14 C ATOM 1386 OE1 GLU A 89 6.428 11.163 -15.212 1.00 34.15 O ATOM 1387 OE2 GLU A 89 5.093 10.388 -16.765 1.00 44.42 O ATOM 0 H GLU A 89 3.404 7.064 -14.302 1.00 25.04 H new ATOM 0 HA GLU A 89 5.898 6.651 -12.814 1.00 75.21 H new ATOM 0 HB2 GLU A 89 6.662 8.703 -13.777 1.00 62.32 H new ATOM 0 HB3 GLU A 89 5.932 7.740 -15.046 1.00 62.32 H new ATOM 0 HG2 GLU A 89 3.883 9.137 -14.942 1.00 61.22 H new ATOM 0 HG3 GLU A 89 4.590 10.090 -13.652 1.00 61.22 H new ATOM 1394 N GLU A 90 3.398 8.456 -11.710 1.00 45.41 N ATOM 1395 CA GLU A 90 2.848 9.242 -10.594 1.00 52.51 C ATOM 1396 C GLU A 90 2.782 8.390 -9.324 1.00 12.54 C ATOM 1397 O GLU A 90 3.195 8.825 -8.250 1.00 20.01 O ATOM 1398 CB GLU A 90 1.453 9.785 -10.947 1.00 21.33 C ATOM 1399 CG GLU A 90 0.871 10.749 -9.900 1.00 31.11 C ATOM 1400 CD GLU A 90 -0.542 11.244 -10.234 1.00 74.42 C ATOM 1401 OE1 GLU A 90 -0.816 11.558 -11.416 1.00 41.34 O ATOM 1402 OE2 GLU A 90 -1.385 11.323 -9.320 1.00 41.21 O ATOM 0 H GLU A 90 2.698 8.172 -12.395 1.00 45.41 H new ATOM 0 HA GLU A 90 3.510 10.089 -10.412 1.00 52.51 H new ATOM 0 HB2 GLU A 90 1.507 10.298 -11.907 1.00 21.33 H new ATOM 0 HB3 GLU A 90 0.769 8.946 -11.072 1.00 21.33 H new ATOM 0 HG2 GLU A 90 0.852 10.250 -8.931 1.00 31.11 H new ATOM 0 HG3 GLU A 90 1.534 11.609 -9.803 1.00 31.11 H new ATOM 1409 N LEU A 91 2.275 7.158 -9.470 1.00 0.13 N ATOM 1410 CA LEU A 91 2.228 6.200 -8.353 1.00 31.33 C ATOM 1411 C LEU A 91 3.662 5.893 -7.857 1.00 1.25 C ATOM 1412 O LEU A 91 3.892 5.836 -6.657 1.00 45.21 O ATOM 1413 CB LEU A 91 1.504 4.899 -8.763 1.00 32.13 C ATOM 1414 CG LEU A 91 -0.029 4.982 -9.012 1.00 51.13 C ATOM 1415 CD1 LEU A 91 -0.562 3.642 -9.554 1.00 21.20 C ATOM 1416 CD2 LEU A 91 -0.778 5.392 -7.729 1.00 43.15 C ATOM 0 H LEU A 91 1.893 6.801 -10.346 1.00 0.13 H new ATOM 0 HA LEU A 91 1.662 6.651 -7.538 1.00 31.33 H new ATOM 0 HB2 LEU A 91 1.973 4.524 -9.673 1.00 32.13 H new ATOM 0 HB3 LEU A 91 1.679 4.156 -7.985 1.00 32.13 H new ATOM 0 HG LEU A 91 -0.209 5.752 -9.763 1.00 51.13 H new ATOM 0 HD11 LEU A 91 -1.636 3.719 -9.722 1.00 21.20 H new ATOM 0 HD12 LEU A 91 -0.064 3.406 -10.494 1.00 21.20 H new ATOM 0 HD13 LEU A 91 -0.364 2.852 -8.830 1.00 21.20 H new ATOM 0 HD21 LEU A 91 -1.848 5.442 -7.932 1.00 43.15 H new ATOM 0 HD22 LEU A 91 -0.591 4.655 -6.948 1.00 43.15 H new ATOM 0 HD23 LEU A 91 -0.425 6.369 -7.398 1.00 43.15 H new ATOM 1428 N THR A 92 4.623 5.756 -8.807 1.00 34.23 N ATOM 1429 CA THR A 92 6.036 5.448 -8.492 1.00 64.43 C ATOM 1430 C THR A 92 6.698 6.588 -7.688 1.00 43.44 C ATOM 1431 O THR A 92 7.384 6.325 -6.689 1.00 30.33 O ATOM 1432 CB THR A 92 6.853 5.148 -9.797 1.00 64.22 C ATOM 1433 OG1 THR A 92 6.240 4.059 -10.509 1.00 64.23 O ATOM 1434 CG2 THR A 92 8.326 4.778 -9.514 1.00 62.45 C ATOM 0 H THR A 92 4.438 5.856 -9.805 1.00 34.23 H new ATOM 0 HA THR A 92 6.042 4.553 -7.871 1.00 64.43 H new ATOM 0 HB THR A 92 6.846 6.064 -10.388 1.00 64.22 H new ATOM 0 HG1 THR A 92 5.504 4.401 -11.059 1.00 64.23 H new ATOM 0 HG21 THR A 92 8.839 4.582 -10.455 1.00 62.45 H new ATOM 0 HG22 THR A 92 8.816 5.604 -8.999 1.00 62.45 H new ATOM 0 HG23 THR A 92 8.363 3.887 -8.888 1.00 62.45 H new ATOM 1442 N GLN A 93 6.447 7.854 -8.104 1.00 11.02 N ATOM 1443 CA GLN A 93 7.040 9.028 -7.436 1.00 75.05 C ATOM 1444 C GLN A 93 6.448 9.205 -6.021 1.00 73.11 C ATOM 1445 O GLN A 93 7.169 9.606 -5.108 1.00 53.13 O ATOM 1446 CB GLN A 93 6.904 10.325 -8.293 1.00 12.34 C ATOM 1447 CG GLN A 93 5.470 10.839 -8.491 1.00 13.12 C ATOM 1448 CD GLN A 93 5.365 12.054 -9.419 1.00 25.35 C ATOM 1449 OE1 GLN A 93 5.241 11.815 -10.719 1.00 0.54 O flip ATOM 1450 NE2 GLN A 93 5.413 13.199 -8.970 1.00 25.42 N flip ATOM 0 H GLN A 93 5.842 8.082 -8.893 1.00 11.02 H new ATOM 0 HA GLN A 93 8.109 8.844 -7.331 1.00 75.05 H new ATOM 0 HB2 GLN A 93 7.492 11.113 -7.823 1.00 12.34 H new ATOM 0 HB3 GLN A 93 7.344 10.140 -9.273 1.00 12.34 H new ATOM 0 HG2 GLN A 93 4.859 10.032 -8.895 1.00 13.12 H new ATOM 0 HG3 GLN A 93 5.051 11.100 -7.519 1.00 13.12 H new ATOM 0 HE21 GLN A 93 5.509 13.349 -7.966 1.00 25.42 H new ATOM 0 HE22 GLN A 93 5.357 13.997 -9.602 1.00 25.42 H new ATOM 1459 N ARG A 94 5.156 8.836 -5.838 1.00 14.14 N ATOM 1460 CA ARG A 94 4.472 8.935 -4.527 1.00 23.42 C ATOM 1461 C ARG A 94 4.937 7.817 -3.558 1.00 51.13 C ATOM 1462 O ARG A 94 5.098 8.061 -2.352 1.00 52.44 O ATOM 1463 CB ARG A 94 2.932 8.922 -4.703 1.00 71.15 C ATOM 1464 CG ARG A 94 2.363 10.116 -5.509 1.00 10.25 C ATOM 1465 CD ARG A 94 2.693 11.488 -4.883 1.00 2.30 C ATOM 1466 NE ARG A 94 2.233 12.615 -5.715 1.00 13.53 N ATOM 1467 CZ ARG A 94 2.813 13.826 -5.770 1.00 70.13 C ATOM 1468 NH1 ARG A 94 3.898 14.109 -5.052 1.00 31.32 N ATOM 1469 NH2 ARG A 94 2.291 14.759 -6.539 1.00 24.24 N ATOM 0 H ARG A 94 4.567 8.467 -6.584 1.00 14.14 H new ATOM 0 HA ARG A 94 4.750 9.889 -4.080 1.00 23.42 H new ATOM 0 HB2 ARG A 94 2.645 7.996 -5.200 1.00 71.15 H new ATOM 0 HB3 ARG A 94 2.467 8.912 -3.717 1.00 71.15 H new ATOM 0 HG2 ARG A 94 2.760 10.082 -6.524 1.00 10.25 H new ATOM 0 HG3 ARG A 94 1.281 10.011 -5.586 1.00 10.25 H new ATOM 0 HD2 ARG A 94 2.230 11.555 -3.898 1.00 2.30 H new ATOM 0 HD3 ARG A 94 3.770 11.566 -4.735 1.00 2.30 H new ATOM 0 HE ARG A 94 1.408 12.463 -6.296 1.00 13.53 H new ATOM 0 HH11 ARG A 94 4.306 13.399 -4.444 1.00 31.32 H new ATOM 0 HH12 ARG A 94 4.321 15.035 -5.110 1.00 31.32 H new ATOM 0 HH21 ARG A 94 1.454 14.559 -7.086 1.00 24.24 H new ATOM 0 HH22 ARG A 94 2.724 15.681 -6.587 1.00 24.24 H new ATOM 1483 N VAL A 95 5.167 6.603 -4.100 1.00 50.32 N ATOM 1484 CA VAL A 95 5.696 5.451 -3.331 1.00 4.44 C ATOM 1485 C VAL A 95 7.103 5.767 -2.797 1.00 50.30 C ATOM 1486 O VAL A 95 7.386 5.612 -1.594 1.00 61.21 O ATOM 1487 CB VAL A 95 5.714 4.133 -4.224 1.00 74.31 C ATOM 1488 CG1 VAL A 95 6.584 3.003 -3.617 1.00 11.25 C ATOM 1489 CG2 VAL A 95 4.279 3.617 -4.485 1.00 53.01 C ATOM 0 H VAL A 95 4.992 6.391 -5.082 1.00 50.32 H new ATOM 0 HA VAL A 95 5.036 5.272 -2.482 1.00 4.44 H new ATOM 0 HB VAL A 95 6.171 4.417 -5.172 1.00 74.31 H new ATOM 0 HG11 VAL A 95 6.556 2.131 -4.271 1.00 11.25 H new ATOM 0 HG12 VAL A 95 7.613 3.349 -3.517 1.00 11.25 H new ATOM 0 HG13 VAL A 95 6.196 2.732 -2.635 1.00 11.25 H new ATOM 0 HG21 VAL A 95 4.322 2.716 -5.097 1.00 53.01 H new ATOM 0 HG22 VAL A 95 3.797 3.387 -3.535 1.00 53.01 H new ATOM 0 HG23 VAL A 95 3.706 4.383 -5.007 1.00 53.01 H new ATOM 1499 N ARG A 96 7.962 6.264 -3.704 1.00 62.13 N ATOM 1500 CA ARG A 96 9.381 6.479 -3.411 1.00 70.04 C ATOM 1501 C ARG A 96 9.591 7.648 -2.427 1.00 35.33 C ATOM 1502 O ARG A 96 10.455 7.570 -1.548 1.00 2.14 O ATOM 1503 CB ARG A 96 10.200 6.673 -4.726 1.00 1.41 C ATOM 1504 CG ARG A 96 10.010 8.031 -5.431 1.00 33.12 C ATOM 1505 CD ARG A 96 10.742 8.128 -6.785 1.00 23.33 C ATOM 1506 NE ARG A 96 10.651 9.482 -7.360 1.00 74.42 N ATOM 1507 CZ ARG A 96 10.985 9.826 -8.614 1.00 1.44 C ATOM 1508 NH1 ARG A 96 11.442 8.922 -9.483 1.00 43.33 N ATOM 1509 NH2 ARG A 96 10.864 11.087 -8.998 1.00 53.11 N ATOM 0 H ARG A 96 7.691 6.525 -4.652 1.00 62.13 H new ATOM 0 HA ARG A 96 9.757 5.582 -2.918 1.00 70.04 H new ATOM 0 HB2 ARG A 96 11.258 6.547 -4.497 1.00 1.41 H new ATOM 0 HB3 ARG A 96 9.929 5.880 -5.423 1.00 1.41 H new ATOM 0 HG2 ARG A 96 8.945 8.204 -5.589 1.00 33.12 H new ATOM 0 HG3 ARG A 96 10.368 8.825 -4.776 1.00 33.12 H new ATOM 0 HD2 ARG A 96 11.790 7.859 -6.652 1.00 23.33 H new ATOM 0 HD3 ARG A 96 10.314 7.407 -7.482 1.00 23.33 H new ATOM 0 HE ARG A 96 10.304 10.223 -6.751 1.00 74.42 H new ATOM 0 HH11 ARG A 96 11.543 7.948 -9.199 1.00 43.33 H new ATOM 0 HH12 ARG A 96 11.690 9.206 -10.431 1.00 43.33 H new ATOM 0 HH21 ARG A 96 10.519 11.789 -8.343 1.00 53.11 H new ATOM 0 HH22 ARG A 96 11.116 11.357 -9.949 1.00 53.11 H new ATOM 1523 N GLU A 97 8.777 8.721 -2.569 1.00 42.22 N ATOM 1524 CA GLU A 97 8.882 9.898 -1.688 1.00 32.21 C ATOM 1525 C GLU A 97 8.356 9.573 -0.281 1.00 14.35 C ATOM 1526 O GLU A 97 8.905 10.070 0.708 1.00 13.50 O ATOM 1527 CB GLU A 97 8.169 11.137 -2.284 1.00 41.42 C ATOM 1528 CG GLU A 97 6.641 11.036 -2.376 1.00 14.03 C ATOM 1529 CD GLU A 97 5.995 12.243 -3.069 1.00 74.44 C ATOM 1530 OE1 GLU A 97 6.013 12.294 -4.315 1.00 43.03 O ATOM 1531 OE2 GLU A 97 5.464 13.143 -2.381 1.00 3.03 O ATOM 0 H GLU A 97 8.049 8.792 -3.279 1.00 42.22 H new ATOM 0 HA GLU A 97 9.939 10.152 -1.607 1.00 32.21 H new ATOM 0 HB2 GLU A 97 8.423 12.007 -1.679 1.00 41.42 H new ATOM 0 HB3 GLU A 97 8.565 11.317 -3.283 1.00 41.42 H new ATOM 0 HG2 GLU A 97 6.376 10.129 -2.919 1.00 14.03 H new ATOM 0 HG3 GLU A 97 6.229 10.939 -1.372 1.00 14.03 H new ATOM 1538 N PHE A 98 7.309 8.714 -0.195 1.00 73.11 N ATOM 1539 CA PHE A 98 6.761 8.253 1.096 1.00 71.21 C ATOM 1540 C PHE A 98 7.839 7.504 1.900 1.00 32.11 C ATOM 1541 O PHE A 98 8.070 7.802 3.075 1.00 0.22 O ATOM 1542 CB PHE A 98 5.530 7.342 0.862 1.00 12.22 C ATOM 1543 CG PHE A 98 4.876 6.818 2.144 1.00 44.24 C ATOM 1544 CD1 PHE A 98 3.954 7.601 2.845 1.00 73.15 C ATOM 1545 CD2 PHE A 98 5.187 5.551 2.655 1.00 10.42 C ATOM 1546 CE1 PHE A 98 3.373 7.136 4.005 1.00 74.14 C ATOM 1547 CE2 PHE A 98 4.602 5.092 3.817 1.00 53.13 C ATOM 1548 CZ PHE A 98 3.698 5.884 4.489 1.00 20.03 C ATOM 0 H PHE A 98 6.830 8.329 -1.009 1.00 73.11 H new ATOM 0 HA PHE A 98 6.445 9.124 1.671 1.00 71.21 H new ATOM 0 HB2 PHE A 98 4.786 7.897 0.290 1.00 12.22 H new ATOM 0 HB3 PHE A 98 5.833 6.492 0.250 1.00 12.22 H new ATOM 0 HD1 PHE A 98 3.694 8.581 2.473 1.00 73.15 H new ATOM 0 HD2 PHE A 98 5.895 4.925 2.132 1.00 10.42 H new ATOM 0 HE1 PHE A 98 2.662 7.752 4.536 1.00 74.14 H new ATOM 0 HE2 PHE A 98 4.853 4.113 4.199 1.00 53.13 H new ATOM 0 HZ PHE A 98 3.241 5.524 5.399 1.00 20.03 H new ATOM 1558 N LEU A 99 8.502 6.547 1.232 1.00 71.41 N ATOM 1559 CA LEU A 99 9.533 5.698 1.856 1.00 51.01 C ATOM 1560 C LEU A 99 10.795 6.505 2.253 1.00 33.45 C ATOM 1561 O LEU A 99 11.510 6.114 3.187 1.00 55.34 O ATOM 1562 CB LEU A 99 9.889 4.507 0.914 1.00 43.21 C ATOM 1563 CG LEU A 99 8.741 3.462 0.665 1.00 50.35 C ATOM 1564 CD1 LEU A 99 9.144 2.399 -0.374 1.00 3.31 C ATOM 1565 CD2 LEU A 99 8.300 2.791 1.980 1.00 54.12 C ATOM 0 H LEU A 99 8.340 6.339 0.247 1.00 71.41 H new ATOM 0 HA LEU A 99 9.121 5.298 2.782 1.00 51.01 H new ATOM 0 HB2 LEU A 99 10.201 4.911 -0.049 1.00 43.21 H new ATOM 0 HB3 LEU A 99 10.748 3.982 1.333 1.00 43.21 H new ATOM 0 HG LEU A 99 7.894 4.016 0.260 1.00 50.35 H new ATOM 0 HD11 LEU A 99 8.321 1.698 -0.515 1.00 3.31 H new ATOM 0 HD12 LEU A 99 9.373 2.885 -1.322 1.00 3.31 H new ATOM 0 HD13 LEU A 99 10.023 1.860 -0.021 1.00 3.31 H new ATOM 0 HD21 LEU A 99 7.505 2.074 1.774 1.00 54.12 H new ATOM 0 HD22 LEU A 99 9.149 2.273 2.427 1.00 54.12 H new ATOM 0 HD23 LEU A 99 7.933 3.550 2.671 1.00 54.12 H new ATOM 1577 N LYS A 100 11.058 7.645 1.564 1.00 74.33 N ATOM 1578 CA LYS A 100 12.254 8.477 1.852 1.00 14.42 C ATOM 1579 C LYS A 100 11.977 9.516 2.970 1.00 3.13 C ATOM 1580 O LYS A 100 12.912 9.901 3.683 1.00 51.34 O ATOM 1581 CB LYS A 100 12.824 9.166 0.570 1.00 43.32 C ATOM 1582 CG LYS A 100 12.073 10.422 0.082 1.00 44.14 C ATOM 1583 CD LYS A 100 12.661 11.020 -1.222 1.00 71.32 C ATOM 1584 CE LYS A 100 14.137 11.442 -1.098 1.00 42.31 C ATOM 1585 NZ LYS A 100 14.644 12.072 -2.354 1.00 70.11 N ATOM 0 H LYS A 100 10.467 8.005 0.815 1.00 74.33 H new ATOM 0 HA LYS A 100 13.022 7.794 2.216 1.00 14.42 H new ATOM 0 HB2 LYS A 100 13.862 9.440 0.760 1.00 43.32 H new ATOM 0 HB3 LYS A 100 12.830 8.435 -0.238 1.00 43.32 H new ATOM 0 HG2 LYS A 100 11.025 10.170 -0.082 1.00 44.14 H new ATOM 0 HG3 LYS A 100 12.099 11.180 0.865 1.00 44.14 H new ATOM 0 HD2 LYS A 100 12.568 10.286 -2.022 1.00 71.32 H new ATOM 0 HD3 LYS A 100 12.068 11.887 -1.514 1.00 71.32 H new ATOM 0 HE2 LYS A 100 14.246 12.143 -0.271 1.00 42.31 H new ATOM 0 HE3 LYS A 100 14.745 10.570 -0.858 1.00 42.31 H new ATOM 0 HZ1 LYS A 100 15.641 12.342 -2.229 1.00 70.11 H new ATOM 0 HZ2 LYS A 100 14.564 11.394 -3.139 1.00 70.11 H new ATOM 0 HZ3 LYS A 100 14.081 12.919 -2.569 1.00 70.11 H new ATOM 1599 N THR A 101 10.700 9.965 3.136 1.00 25.24 N ATOM 1600 CA THR A 101 10.356 11.017 4.132 1.00 11.33 C ATOM 1601 C THR A 101 9.912 10.396 5.476 1.00 10.24 C ATOM 1602 O THR A 101 10.269 10.899 6.550 1.00 14.31 O ATOM 1603 CB THR A 101 9.267 12.024 3.597 1.00 11.03 C ATOM 1604 OG1 THR A 101 9.132 13.146 4.497 1.00 3.10 O ATOM 1605 CG2 THR A 101 7.879 11.379 3.400 1.00 75.21 C ATOM 0 H THR A 101 9.904 9.619 2.600 1.00 25.24 H new ATOM 0 HA THR A 101 11.268 11.590 4.301 1.00 11.33 H new ATOM 0 HB THR A 101 9.621 12.352 2.620 1.00 11.03 H new ATOM 0 HG1 THR A 101 8.454 13.763 4.151 1.00 3.10 H new ATOM 0 HG21 THR A 101 7.179 12.128 3.030 1.00 75.21 H new ATOM 0 HG22 THR A 101 7.955 10.566 2.678 1.00 75.21 H new ATOM 0 HG23 THR A 101 7.522 10.987 4.352 1.00 75.21 H new ATOM 1613 N ALA A 102 9.133 9.301 5.412 1.00 33.53 N ATOM 1614 CA ALA A 102 8.669 8.567 6.606 1.00 61.12 C ATOM 1615 C ALA A 102 9.742 7.570 7.091 1.00 4.24 C ATOM 1616 O ALA A 102 9.534 6.864 8.086 1.00 22.11 O ATOM 1617 CB ALA A 102 7.342 7.852 6.303 1.00 72.21 C ATOM 0 H ALA A 102 8.807 8.900 4.533 1.00 33.53 H new ATOM 0 HA ALA A 102 8.498 9.282 7.411 1.00 61.12 H new ATOM 0 HB1 ALA A 102 7.008 7.313 7.190 1.00 72.21 H new ATOM 0 HB2 ALA A 102 6.589 8.587 6.020 1.00 72.21 H new ATOM 0 HB3 ALA A 102 7.487 7.148 5.484 1.00 72.21 H new ATOM 1623 N GLY A 103 10.886 7.521 6.368 1.00 1.44 N ATOM 1624 CA GLY A 103 12.011 6.649 6.701 1.00 41.53 C ATOM 1625 C GLY A 103 12.823 7.110 7.908 1.00 13.52 C ATOM 1626 O GLY A 103 12.329 7.864 8.762 1.00 13.42 O ATOM 0 H GLY A 103 11.044 8.091 5.537 1.00 1.44 H new ATOM 0 HA2 GLY A 103 11.633 5.645 6.893 1.00 41.53 H new ATOM 0 HA3 GLY A 103 12.672 6.581 5.837 1.00 41.53 H new ATOM 1630 N SER A 104 14.089 6.650 7.969 1.00 31.24 N ATOM 1631 CA SER A 104 15.001 6.920 9.094 1.00 14.21 C ATOM 1632 C SER A 104 15.670 8.312 8.955 1.00 13.42 C ATOM 1633 O SER A 104 16.889 8.423 8.792 1.00 71.25 O ATOM 1634 CB SER A 104 16.062 5.790 9.187 1.00 3.13 C ATOM 1635 OG SER A 104 15.456 4.506 9.303 1.00 54.22 O ATOM 0 H SER A 104 14.507 6.078 7.235 1.00 31.24 H new ATOM 0 HA SER A 104 14.424 6.935 10.018 1.00 14.21 H new ATOM 0 HB2 SER A 104 16.697 5.814 8.302 1.00 3.13 H new ATOM 0 HB3 SER A 104 16.707 5.967 10.047 1.00 3.13 H new ATOM 0 HG SER A 104 16.153 3.819 9.357 1.00 54.22 H new ATOM 1641 N LEU A 105 14.846 9.370 9.005 1.00 42.51 N ATOM 1642 CA LEU A 105 15.332 10.761 9.005 1.00 11.51 C ATOM 1643 C LEU A 105 15.511 11.237 10.453 1.00 3.11 C ATOM 1644 O LEU A 105 14.812 10.757 11.359 1.00 14.12 O ATOM 1645 CB LEU A 105 14.341 11.694 8.248 1.00 60.02 C ATOM 1646 CG LEU A 105 14.067 11.352 6.744 1.00 12.03 C ATOM 1647 CD1 LEU A 105 13.203 12.443 6.078 1.00 35.45 C ATOM 1648 CD2 LEU A 105 15.374 11.119 5.954 1.00 30.12 C ATOM 0 H LEU A 105 13.830 9.288 9.046 1.00 42.51 H new ATOM 0 HA LEU A 105 16.291 10.800 8.489 1.00 11.51 H new ATOM 0 HB2 LEU A 105 13.389 11.683 8.779 1.00 60.02 H new ATOM 0 HB3 LEU A 105 14.724 12.713 8.302 1.00 60.02 H new ATOM 0 HG LEU A 105 13.510 10.415 6.723 1.00 12.03 H new ATOM 0 HD11 LEU A 105 13.027 12.181 5.035 1.00 35.45 H new ATOM 0 HD12 LEU A 105 12.248 12.519 6.599 1.00 35.45 H new ATOM 0 HD13 LEU A 105 13.722 13.400 6.130 1.00 35.45 H new ATOM 0 HD21 LEU A 105 15.135 10.885 4.917 1.00 30.12 H new ATOM 0 HD22 LEU A 105 15.987 12.020 5.991 1.00 30.12 H new ATOM 0 HD23 LEU A 105 15.923 10.288 6.396 1.00 30.12 H new ATOM 1660 N GLU A 106 16.470 12.156 10.665 1.00 2.44 N ATOM 1661 CA GLU A 106 16.647 12.821 11.963 1.00 11.32 C ATOM 1662 C GLU A 106 15.450 13.776 12.145 1.00 22.41 C ATOM 1663 O GLU A 106 15.355 14.810 11.463 1.00 2.14 O ATOM 1664 CB GLU A 106 18.015 13.584 12.014 1.00 74.21 C ATOM 1665 CG GLU A 106 18.564 13.901 13.432 1.00 10.11 C ATOM 1666 CD GLU A 106 17.664 14.814 14.292 1.00 13.21 C ATOM 1667 OE1 GLU A 106 17.667 16.047 14.090 1.00 30.32 O ATOM 1668 OE2 GLU A 106 16.930 14.290 15.164 1.00 55.51 O ATOM 0 H GLU A 106 17.134 12.454 9.951 1.00 2.44 H new ATOM 0 HA GLU A 106 16.673 12.096 12.776 1.00 11.32 H new ATOM 0 HB2 GLU A 106 18.759 12.992 11.482 1.00 74.21 H new ATOM 0 HB3 GLU A 106 17.906 14.522 11.470 1.00 74.21 H new ATOM 0 HG2 GLU A 106 18.717 12.962 13.964 1.00 10.11 H new ATOM 0 HG3 GLU A 106 19.541 14.372 13.330 1.00 10.11 H new ATOM 1675 N HIS A 107 14.522 13.383 13.027 1.00 14.21 N ATOM 1676 CA HIS A 107 13.263 14.103 13.240 1.00 45.04 C ATOM 1677 C HIS A 107 13.486 15.322 14.160 1.00 55.15 C ATOM 1678 O HIS A 107 13.330 15.239 15.384 1.00 61.32 O ATOM 1679 CB HIS A 107 12.185 13.140 13.805 1.00 21.22 C ATOM 1680 CG HIS A 107 11.935 11.934 12.928 1.00 1.22 C ATOM 1681 ND1 HIS A 107 12.198 10.637 13.327 1.00 50.20 N ATOM 1682 CD2 HIS A 107 11.452 11.836 11.663 1.00 13.53 C ATOM 1683 CE1 HIS A 107 11.897 9.806 12.349 1.00 44.15 C ATOM 1684 NE2 HIS A 107 11.440 10.505 11.333 1.00 45.31 N ATOM 0 H HIS A 107 14.625 12.555 13.613 1.00 14.21 H new ATOM 0 HA HIS A 107 12.901 14.481 12.284 1.00 45.04 H new ATOM 0 HB2 HIS A 107 12.493 12.802 14.794 1.00 21.22 H new ATOM 0 HB3 HIS A 107 11.251 13.687 13.932 1.00 21.22 H new ATOM 0 HD2 HIS A 107 11.136 12.654 11.033 1.00 13.53 H new ATOM 0 HE1 HIS A 107 12.007 8.732 12.377 1.00 44.15 H new ATOM 0 HE2 HIS A 107 11.127 10.119 10.442 1.00 45.31 H new ATOM 1693 N HIS A 108 13.915 16.445 13.536 1.00 34.42 N ATOM 1694 CA HIS A 108 14.050 17.767 14.205 1.00 41.43 C ATOM 1695 C HIS A 108 12.707 18.213 14.818 1.00 41.22 C ATOM 1696 O HIS A 108 12.668 19.005 15.756 1.00 63.10 O ATOM 1697 CB HIS A 108 14.567 18.831 13.203 1.00 71.13 C ATOM 1698 CG HIS A 108 13.636 19.085 12.043 1.00 43.44 C ATOM 1699 ND1 HIS A 108 12.594 19.983 12.100 1.00 24.14 N ATOM 1700 CD2 HIS A 108 13.565 18.517 10.816 1.00 64.43 C ATOM 1701 CE1 HIS A 108 11.933 19.960 10.967 1.00 13.22 C ATOM 1702 NE2 HIS A 108 12.499 19.082 10.171 1.00 2.25 N ATOM 0 H HIS A 108 14.179 16.462 12.551 1.00 34.42 H new ATOM 0 HA HIS A 108 14.776 17.667 15.012 1.00 41.43 H new ATOM 0 HB2 HIS A 108 14.731 19.768 13.736 1.00 71.13 H new ATOM 0 HB3 HIS A 108 15.534 18.511 12.816 1.00 71.13 H new ATOM 0 HD2 HIS A 108 14.226 17.760 10.421 1.00 64.43 H new ATOM 0 HE1 HIS A 108 11.069 20.562 10.729 1.00 13.22 H new ATOM 0 HE2 HIS A 108 12.193 18.857 9.224 1.00 2.25 H new ATOM 1711 N HIS A 109 11.610 17.719 14.216 1.00 1.43 N ATOM 1712 CA HIS A 109 10.281 17.725 14.818 1.00 32.20 C ATOM 1713 C HIS A 109 9.575 16.430 14.407 1.00 12.10 C ATOM 1714 O HIS A 109 9.196 16.275 13.242 1.00 11.21 O ATOM 1715 CB HIS A 109 9.451 18.964 14.394 1.00 50.24 C ATOM 1716 CG HIS A 109 8.099 19.036 15.075 1.00 12.14 C ATOM 1717 ND1 HIS A 109 7.945 19.448 16.381 1.00 60.24 N ATOM 1718 CD2 HIS A 109 6.854 18.695 14.647 1.00 41.11 C ATOM 1719 CE1 HIS A 109 6.680 19.347 16.728 1.00 65.00 C ATOM 1720 NE2 HIS A 109 5.998 18.896 15.698 1.00 24.13 N ATOM 0 H HIS A 109 11.631 17.301 13.286 1.00 1.43 H new ATOM 0 HA HIS A 109 10.378 17.783 15.902 1.00 32.20 H new ATOM 0 HB2 HIS A 109 10.015 19.868 14.624 1.00 50.24 H new ATOM 0 HB3 HIS A 109 9.306 18.945 13.314 1.00 50.24 H new ATOM 0 HD2 HIS A 109 6.590 18.334 13.664 1.00 41.11 H new ATOM 0 HE1 HIS A 109 6.270 19.593 17.696 1.00 65.00 H new ATOM 0 HE2 HIS A 109 4.993 18.723 15.684 1.00 24.13 H new ATOM 1729 N HIS A 110 9.469 15.486 15.356 1.00 2.22 N ATOM 1730 CA HIS A 110 8.619 14.296 15.189 1.00 41.45 C ATOM 1731 C HIS A 110 7.149 14.732 15.260 1.00 0.40 C ATOM 1732 O HIS A 110 6.797 15.587 16.083 1.00 13.42 O ATOM 1733 CB HIS A 110 8.947 13.191 16.241 1.00 40.31 C ATOM 1734 CG HIS A 110 8.926 13.629 17.695 1.00 60.44 C ATOM 1735 ND1 HIS A 110 7.795 14.077 18.348 1.00 14.23 N ATOM 1736 CD2 HIS A 110 9.923 13.690 18.618 1.00 52.31 C ATOM 1737 CE1 HIS A 110 8.097 14.374 19.594 1.00 25.24 C ATOM 1738 NE2 HIS A 110 9.375 14.153 19.783 1.00 21.30 N ATOM 0 H HIS A 110 9.962 15.524 16.248 1.00 2.22 H new ATOM 0 HA HIS A 110 8.817 13.847 14.216 1.00 41.45 H new ATOM 0 HB2 HIS A 110 8.234 12.376 16.117 1.00 40.31 H new ATOM 0 HB3 HIS A 110 9.934 12.787 16.018 1.00 40.31 H new ATOM 0 HD1 HIS A 110 6.869 14.164 17.930 1.00 14.23 H new ATOM 0 HD2 HIS A 110 10.957 13.422 18.460 1.00 52.31 H new ATOM 0 HE1 HIS A 110 7.405 14.740 20.338 1.00 25.24 H new ATOM 1747 N HIS A 111 6.316 14.173 14.367 1.00 71.45 N ATOM 1748 CA HIS A 111 4.893 14.529 14.245 1.00 15.43 C ATOM 1749 C HIS A 111 4.090 14.015 15.466 1.00 4.53 C ATOM 1750 O HIS A 111 3.458 12.950 15.410 1.00 34.44 O ATOM 1751 CB HIS A 111 4.332 13.973 12.901 1.00 12.43 C ATOM 1752 CG HIS A 111 2.890 14.319 12.651 1.00 22.20 C ATOM 1753 ND1 HIS A 111 2.460 15.604 12.424 1.00 70.30 N ATOM 1754 CD2 HIS A 111 1.777 13.542 12.629 1.00 24.25 C ATOM 1755 CE1 HIS A 111 1.151 15.607 12.285 1.00 3.44 C ATOM 1756 NE2 HIS A 111 0.718 14.372 12.405 1.00 55.02 N ATOM 0 H HIS A 111 6.613 13.456 13.705 1.00 71.45 H new ATOM 0 HA HIS A 111 4.790 15.614 14.235 1.00 15.43 H new ATOM 0 HB2 HIS A 111 4.935 14.359 12.080 1.00 12.43 H new ATOM 0 HB3 HIS A 111 4.441 12.889 12.894 1.00 12.43 H new ATOM 0 HD2 HIS A 111 1.738 12.471 12.763 1.00 24.25 H new ATOM 0 HE1 HIS A 111 0.537 16.477 12.103 1.00 3.44 H new ATOM 0 HE2 HIS A 111 -0.257 14.080 12.341 1.00 55.02 H new ATOM 1765 N HIS A 112 4.178 14.786 16.564 1.00 13.40 N ATOM 1766 CA HIS A 112 3.518 14.511 17.848 1.00 63.34 C ATOM 1767 C HIS A 112 3.956 15.612 18.845 1.00 3.34 C ATOM 1768 O HIS A 112 5.126 15.591 19.284 1.00 62.41 O ATOM 1769 CB HIS A 112 3.856 13.098 18.415 1.00 60.14 C ATOM 1770 CG HIS A 112 3.096 12.750 19.671 1.00 62.35 C ATOM 1771 ND1 HIS A 112 3.672 12.742 20.920 1.00 42.21 N ATOM 1772 CD2 HIS A 112 1.803 12.395 19.855 1.00 1.12 C ATOM 1773 CE1 HIS A 112 2.773 12.383 21.814 1.00 4.31 C ATOM 1774 NE2 HIS A 112 1.634 12.168 21.194 1.00 21.33 N ATOM 1775 OXT HIS A 112 3.148 16.503 19.167 1.00 37.19 O ATOM 0 H HIS A 112 4.728 15.645 16.580 1.00 13.40 H new ATOM 0 HA HIS A 112 2.439 14.520 17.696 1.00 63.34 H new ATOM 0 HB2 HIS A 112 3.642 12.349 17.652 1.00 60.14 H new ATOM 0 HB3 HIS A 112 4.925 13.045 18.622 1.00 60.14 H new ATOM 0 HD2 HIS A 112 1.047 12.307 19.089 1.00 1.12 H new ATOM 0 HE1 HIS A 112 2.943 12.282 22.876 1.00 4.31 H new ATOM 0 HE2 HIS A 112 0.763 11.878 21.640 1.00 21.33 H new TER 1784 HIS A 112