USER MOD reduce.3.24.130724 H: found=0, std=0, add=1227, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1228 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 160 LYS NZ :NH3+ -115:sc= -0.39 (180deg=-1.34!) USER MOD Set 1.2: A 161 GLN : amide:sc= -3.66! C(o=-4.1!,f=-3.8!) USER MOD Set 2.1: A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 155 TYR OH : rot 115:sc= 1.28 USER MOD Set 3.1: A 116 LYS NZ :NH3+ 175:sc= -0.29 (180deg=-0.317) USER MOD Set 3.2: A 156 HIS : no HD1:sc= -19.3! C(o=-20!,f=-23!) USER MOD Set 4.1: A 43 MET CE :methyl -164:sc= 0 (180deg=-0.26) USER MOD Set 4.2: A 60 ASN : amide:sc= -0.387 X(o=-0.39,f=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.05 X(o=-0.05,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -146:sc= -0.256 (180deg=-1.54!) USER MOD Single : A 19 ASN : amide:sc= -0.83 X(o=-0.83,f=-0.6) USER MOD Single : A 20 ASN :FLIP amide:sc= -0.233 F(o=-0.97,f=-0.23) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -77:sc= 1.29 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 HIS : no HD1:sc= -1.86 K(o=-1.9,f=-2.5!) USER MOD Single : A 46 LYS NZ :NH3+ -173:sc= -0.915 (180deg=-1.25) USER MOD Single : A 47 ASN :FLIP amide:sc= -2.89 F(o=-10!,f=-2.9) USER MOD Single : A 48 TYR OH : rot 180:sc= -0.0158 USER MOD Single : A 64 THR OG1 : rot -170:sc= 0.0365 USER MOD Single : A 66 ASN :FLIP amide:sc= -3.27! C(o=-4.1!,f=-3.3!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 HIS :FLIP no HD1:sc= -0.34 F(o=-1,f=-0.34) USER MOD Single : A 74 CYS SG : rot -26:sc= -0.655 USER MOD Single : A 78 HIS : no HD1:sc= -0.107 X(o=-0.11,f=0) USER MOD Single : A 79 SER OG : rot -160:sc= -0.33 USER MOD Single : A 87 CYS SG : rot 72:sc= -0.0763 USER MOD Single : A 88 LYS NZ :NH3+ -167:sc=-0.00547 (180deg=-0.242) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 GLN : amide:sc= -0.0295 K(o=-0.03,f=-0.99) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 57:sc= 1.23 USER MOD Single : A 118 HIS : no HD1:sc= -1.24 K(o=-1.2,f=-2.7!) USER MOD Single : A 119 HIS : no HD1:sc= -0.053 X(o=-0.053,f=0) USER MOD Single : A 125 THR OG1 : rot 180:sc= -0.489 USER MOD Single : A 134 ASN : amide:sc= -0.188 K(o=-0.19,f=-2.5!) USER MOD Single : A 136 LYS NZ :NH3+ -160:sc= -0.49 (180deg=-1.53!) USER MOD Single : A 142 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 145 THR OG1 : rot 180:sc= -1.15 USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 149 ASN :FLIP amide:sc= -0.847 F(o=-4!,f=-0.85) USER MOD Single : A 151 TYR OH : rot 180:sc= 0 USER MOD Single : A 152 THR OG1 : rot 180:sc= -0.276 USER MOD Single : A 153 TYR OH : rot 180:sc= -2.1! USER MOD Single : A 154 TYR OH : rot 180:sc= 0 USER MOD Single : A 158 TYR OH : rot 180:sc= 0 USER MOD Single : A 162 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.311 0.218 -0.607 1.00 72.32 N ATOM 2 CA MET A 1 1.536 -1.135 -1.190 1.00 24.21 C ATOM 3 C MET A 1 2.987 -1.550 -0.962 1.00 75.22 C ATOM 4 O MET A 1 3.320 -2.133 0.070 1.00 70.03 O ATOM 5 CB MET A 1 1.234 -1.096 -2.692 1.00 15.32 C ATOM 6 CG MET A 1 -0.087 -1.818 -2.977 1.00 62.34 C ATOM 7 SD MET A 1 0.239 -3.576 -3.262 1.00 22.54 S ATOM 8 CE MET A 1 -1.443 -4.171 -2.960 1.00 33.00 C ATOM 0 H1 MET A 1 0.323 0.503 -0.761 1.00 72.32 H new ATOM 0 H2 MET A 1 1.509 0.193 0.414 1.00 72.32 H new ATOM 0 H3 MET A 1 1.944 0.903 -1.066 1.00 72.32 H new ATOM 0 HA MET A 1 0.877 -1.858 -0.709 1.00 24.21 H new ATOM 0 HB2 MET A 1 1.175 -0.062 -3.033 1.00 15.32 H new ATOM 0 HB3 MET A 1 2.044 -1.569 -3.247 1.00 15.32 H new ATOM 0 HG2 MET A 1 -0.770 -1.695 -2.137 1.00 62.34 H new ATOM 0 HG3 MET A 1 -0.573 -1.381 -3.849 1.00 62.34 H new ATOM 0 HE1 MET A 1 -1.474 -5.253 -3.084 1.00 33.00 H new ATOM 0 HE2 MET A 1 -1.743 -3.913 -1.944 1.00 33.00 H new ATOM 0 HE3 MET A 1 -2.127 -3.705 -3.670 1.00 33.00 H new ATOM 20 N ILE A 2 3.845 -1.248 -1.932 1.00 34.45 N ATOM 21 CA ILE A 2 5.257 -1.599 -1.824 1.00 31.51 C ATOM 22 C ILE A 2 6.137 -0.381 -2.083 1.00 43.54 C ATOM 23 O ILE A 2 5.935 0.349 -3.054 1.00 21.21 O ATOM 24 CB ILE A 2 5.599 -2.699 -2.830 1.00 61.34 C ATOM 25 CG1 ILE A 2 4.655 -3.886 -2.628 1.00 14.23 C ATOM 26 CG2 ILE A 2 7.043 -3.156 -2.615 1.00 53.11 C ATOM 27 CD1 ILE A 2 4.932 -4.945 -3.696 1.00 72.43 C ATOM 0 H ILE A 2 3.591 -0.766 -2.794 1.00 34.45 H new ATOM 0 HA ILE A 2 5.444 -1.958 -0.812 1.00 31.51 H new ATOM 0 HB ILE A 2 5.487 -2.312 -3.843 1.00 61.34 H new ATOM 0 HG12 ILE A 2 4.795 -4.311 -1.634 1.00 14.23 H new ATOM 0 HG13 ILE A 2 3.618 -3.555 -2.689 1.00 14.23 H new ATOM 0 HG21 ILE A 2 7.287 -3.940 -3.332 1.00 53.11 H new ATOM 0 HG22 ILE A 2 7.717 -2.311 -2.758 1.00 53.11 H new ATOM 0 HG23 ILE A 2 7.155 -3.543 -1.602 1.00 53.11 H new ATOM 0 HD11 ILE A 2 4.260 -5.791 -3.553 1.00 72.43 H new ATOM 0 HD12 ILE A 2 4.769 -4.516 -4.685 1.00 72.43 H new ATOM 0 HD13 ILE A 2 5.965 -5.284 -3.613 1.00 72.43 H new ATOM 39 N VAL A 3 7.115 -0.168 -1.208 1.00 72.15 N ATOM 40 CA VAL A 3 8.023 0.965 -1.351 1.00 43.44 C ATOM 41 C VAL A 3 9.472 0.491 -1.398 1.00 41.34 C ATOM 42 O VAL A 3 9.997 -0.032 -0.414 1.00 33.03 O ATOM 43 CB VAL A 3 7.837 1.931 -0.180 1.00 15.02 C ATOM 44 CG1 VAL A 3 7.012 3.136 -0.636 1.00 43.33 C ATOM 45 CG2 VAL A 3 7.106 1.215 0.957 1.00 60.10 C ATOM 0 H VAL A 3 7.298 -0.760 -0.398 1.00 72.15 H new ATOM 0 HA VAL A 3 7.792 1.476 -2.285 1.00 43.44 H new ATOM 0 HB VAL A 3 8.812 2.271 0.169 1.00 15.02 H new ATOM 0 HG11 VAL A 3 6.880 3.824 0.199 1.00 43.33 H new ATOM 0 HG12 VAL A 3 7.531 3.646 -1.448 1.00 43.33 H new ATOM 0 HG13 VAL A 3 6.036 2.798 -0.985 1.00 43.33 H new ATOM 0 HG21 VAL A 3 6.972 1.902 1.793 1.00 60.10 H new ATOM 0 HG22 VAL A 3 6.131 0.876 0.606 1.00 60.10 H new ATOM 0 HG23 VAL A 3 7.693 0.356 1.283 1.00 60.10 H new ATOM 55 N SER A 4 10.114 0.677 -2.548 1.00 54.41 N ATOM 56 CA SER A 4 11.505 0.265 -2.714 1.00 45.33 C ATOM 57 C SER A 4 12.423 1.483 -2.756 1.00 33.32 C ATOM 58 O SER A 4 12.100 2.493 -3.381 1.00 53.50 O ATOM 59 CB SER A 4 11.658 -0.537 -4.007 1.00 20.51 C ATOM 60 OG SER A 4 13.034 -0.603 -4.359 1.00 4.33 O ATOM 0 H SER A 4 9.697 1.107 -3.374 1.00 54.41 H new ATOM 0 HA SER A 4 11.786 -0.357 -1.864 1.00 45.33 H new ATOM 0 HB2 SER A 4 11.256 -1.542 -3.875 1.00 20.51 H new ATOM 0 HB3 SER A 4 11.088 -0.068 -4.809 1.00 20.51 H new ATOM 0 HG SER A 4 13.136 -1.118 -5.187 1.00 4.33 H new ATOM 66 N PHE A 5 13.566 1.382 -2.084 1.00 53.11 N ATOM 67 CA PHE A 5 14.520 2.485 -2.049 1.00 54.40 C ATOM 68 C PHE A 5 15.868 2.062 -2.627 1.00 11.12 C ATOM 69 O PHE A 5 16.527 1.168 -2.097 1.00 63.42 O ATOM 70 CB PHE A 5 14.719 2.958 -0.607 1.00 3.22 C ATOM 71 CG PHE A 5 13.654 3.965 -0.249 1.00 15.33 C ATOM 72 CD1 PHE A 5 12.308 3.581 -0.225 1.00 45.43 C ATOM 73 CD2 PHE A 5 14.013 5.282 0.063 1.00 4.22 C ATOM 74 CE1 PHE A 5 11.321 4.514 0.109 1.00 32.01 C ATOM 75 CE2 PHE A 5 13.025 6.215 0.398 1.00 11.13 C ATOM 76 CZ PHE A 5 11.679 5.830 0.420 1.00 71.14 C ATOM 0 H PHE A 5 13.852 0.555 -1.560 1.00 53.11 H new ATOM 0 HA PHE A 5 14.117 3.297 -2.654 1.00 54.40 H new ATOM 0 HB2 PHE A 5 14.673 2.108 0.074 1.00 3.22 H new ATOM 0 HB3 PHE A 5 15.707 3.404 -0.494 1.00 3.22 H new ATOM 0 HD1 PHE A 5 12.032 2.565 -0.464 1.00 45.43 H new ATOM 0 HD2 PHE A 5 15.052 5.578 0.045 1.00 4.22 H new ATOM 0 HE1 PHE A 5 10.282 4.218 0.127 1.00 32.01 H new ATOM 0 HE2 PHE A 5 13.301 7.231 0.639 1.00 11.13 H new ATOM 0 HZ PHE A 5 10.916 6.550 0.677 1.00 71.14 H new ATOM 86 N MET A 6 16.280 2.725 -3.704 1.00 44.31 N ATOM 87 CA MET A 6 17.563 2.424 -4.331 1.00 72.12 C ATOM 88 C MET A 6 18.618 3.395 -3.812 1.00 54.21 C ATOM 89 O MET A 6 18.449 4.611 -3.906 1.00 32.33 O ATOM 90 CB MET A 6 17.448 2.543 -5.853 1.00 43.12 C ATOM 91 CG MET A 6 18.847 2.603 -6.471 1.00 73.22 C ATOM 92 SD MET A 6 19.929 1.416 -5.636 1.00 0.53 S ATOM 93 CE MET A 6 21.329 1.545 -6.776 1.00 71.34 C ATOM 0 H MET A 6 15.749 3.468 -4.158 1.00 44.31 H new ATOM 0 HA MET A 6 17.854 1.403 -4.083 1.00 72.12 H new ATOM 0 HB2 MET A 6 16.899 1.691 -6.254 1.00 43.12 H new ATOM 0 HB3 MET A 6 16.885 3.438 -6.116 1.00 43.12 H new ATOM 0 HG2 MET A 6 18.795 2.377 -7.536 1.00 73.22 H new ATOM 0 HG3 MET A 6 19.254 3.610 -6.378 1.00 73.22 H new ATOM 0 HE1 MET A 6 22.129 0.883 -6.446 1.00 71.34 H new ATOM 0 HE2 MET A 6 21.010 1.258 -7.778 1.00 71.34 H new ATOM 0 HE3 MET A 6 21.692 2.573 -6.792 1.00 71.34 H new ATOM 103 N VAL A 7 19.689 2.859 -3.235 1.00 60.10 N ATOM 104 CA VAL A 7 20.736 3.707 -2.676 1.00 22.42 C ATOM 105 C VAL A 7 22.127 3.130 -2.916 1.00 21.24 C ATOM 106 O VAL A 7 22.321 1.917 -2.903 1.00 65.43 O ATOM 107 CB VAL A 7 20.516 3.847 -1.171 1.00 32.51 C ATOM 108 CG1 VAL A 7 21.500 4.864 -0.596 1.00 50.40 C ATOM 109 CG2 VAL A 7 19.081 4.303 -0.906 1.00 24.32 C ATOM 0 H VAL A 7 19.854 1.857 -3.143 1.00 60.10 H new ATOM 0 HA VAL A 7 20.680 4.676 -3.172 1.00 22.42 H new ATOM 0 HB VAL A 7 20.682 2.883 -0.690 1.00 32.51 H new ATOM 0 HG11 VAL A 7 21.338 4.960 0.478 1.00 50.40 H new ATOM 0 HG12 VAL A 7 22.520 4.528 -0.781 1.00 50.40 H new ATOM 0 HG13 VAL A 7 21.344 5.831 -1.074 1.00 50.40 H new ATOM 0 HG21 VAL A 7 18.923 4.403 0.168 1.00 24.32 H new ATOM 0 HG22 VAL A 7 18.910 5.265 -1.389 1.00 24.32 H new ATOM 0 HG23 VAL A 7 18.385 3.566 -1.308 1.00 24.32 H new ATOM 119 N ALA A 8 23.096 4.017 -3.107 1.00 51.42 N ATOM 120 CA ALA A 8 24.475 3.596 -3.314 1.00 23.51 C ATOM 121 C ALA A 8 25.253 3.757 -2.011 1.00 72.15 C ATOM 122 O ALA A 8 24.866 4.543 -1.146 1.00 50.24 O ATOM 123 CB ALA A 8 25.126 4.435 -4.416 1.00 45.03 C ATOM 0 H ALA A 8 22.953 5.027 -3.123 1.00 51.42 H new ATOM 0 HA ALA A 8 24.488 2.550 -3.620 1.00 23.51 H new ATOM 0 HB1 ALA A 8 26.156 4.110 -4.560 1.00 45.03 H new ATOM 0 HB2 ALA A 8 24.572 4.308 -5.346 1.00 45.03 H new ATOM 0 HB3 ALA A 8 25.114 5.486 -4.128 1.00 45.03 H new ATOM 129 N MET A 9 26.339 3.007 -1.865 1.00 43.23 N ATOM 130 CA MET A 9 27.138 3.082 -0.645 1.00 42.24 C ATOM 131 C MET A 9 28.629 3.091 -0.969 1.00 41.30 C ATOM 132 O MET A 9 29.183 2.088 -1.418 1.00 2.21 O ATOM 133 CB MET A 9 26.803 1.890 0.258 1.00 74.44 C ATOM 134 CG MET A 9 27.992 1.558 1.165 1.00 74.35 C ATOM 135 SD MET A 9 28.492 3.035 2.084 1.00 61.23 S ATOM 136 CE MET A 9 29.053 2.184 3.581 1.00 14.01 C ATOM 0 H MET A 9 26.684 2.349 -2.564 1.00 43.23 H new ATOM 0 HA MET A 9 26.899 4.011 -0.127 1.00 42.24 H new ATOM 0 HB2 MET A 9 25.927 2.120 0.865 1.00 74.44 H new ATOM 0 HB3 MET A 9 26.549 1.023 -0.352 1.00 74.44 H new ATOM 0 HG2 MET A 9 27.721 0.761 1.858 1.00 74.35 H new ATOM 0 HG3 MET A 9 28.826 1.191 0.567 1.00 74.35 H new ATOM 0 HE1 MET A 9 29.413 2.917 4.303 1.00 14.01 H new ATOM 0 HE2 MET A 9 28.224 1.625 4.014 1.00 14.01 H new ATOM 0 HE3 MET A 9 29.861 1.497 3.328 1.00 14.01 H new ATOM 146 N ASP A 10 29.274 4.233 -0.737 1.00 2.11 N ATOM 147 CA ASP A 10 30.706 4.358 -1.006 1.00 20.54 C ATOM 148 C ASP A 10 31.523 3.925 0.209 1.00 51.34 C ATOM 149 O ASP A 10 31.262 4.354 1.333 1.00 33.32 O ATOM 150 CB ASP A 10 31.052 5.803 -1.367 1.00 54.15 C ATOM 151 CG ASP A 10 30.790 6.046 -2.849 1.00 12.35 C ATOM 152 OD1 ASP A 10 30.976 5.121 -3.623 1.00 21.25 O ATOM 153 OD2 ASP A 10 30.409 7.154 -3.189 1.00 72.24 O ATOM 0 H ASP A 10 28.834 5.076 -0.368 1.00 2.11 H new ATOM 0 HA ASP A 10 30.952 3.708 -1.846 1.00 20.54 H new ATOM 0 HB2 ASP A 10 30.456 6.490 -0.766 1.00 54.15 H new ATOM 0 HB3 ASP A 10 32.098 6.004 -1.136 1.00 54.15 H new ATOM 158 N GLU A 11 32.510 3.068 -0.030 1.00 15.44 N ATOM 159 CA GLU A 11 33.363 2.567 1.043 1.00 64.11 C ATOM 160 C GLU A 11 34.023 3.707 1.814 1.00 62.34 C ATOM 161 O GLU A 11 34.391 3.544 2.977 1.00 62.24 O ATOM 162 CB GLU A 11 34.447 1.655 0.463 1.00 3.32 C ATOM 163 CG GLU A 11 35.291 2.438 -0.545 1.00 70.10 C ATOM 164 CD GLU A 11 36.375 1.537 -1.126 1.00 73.13 C ATOM 165 OE1 GLU A 11 36.223 0.329 -1.040 1.00 50.15 O ATOM 166 OE2 GLU A 11 37.342 2.067 -1.648 1.00 43.44 O ATOM 0 H GLU A 11 32.739 2.706 -0.956 1.00 15.44 H new ATOM 0 HA GLU A 11 32.733 2.007 1.733 1.00 64.11 H new ATOM 0 HB2 GLU A 11 35.080 1.272 1.263 1.00 3.32 H new ATOM 0 HB3 GLU A 11 33.990 0.793 -0.022 1.00 3.32 H new ATOM 0 HG2 GLU A 11 34.656 2.820 -1.345 1.00 70.10 H new ATOM 0 HG3 GLU A 11 35.746 3.301 -0.059 1.00 70.10 H new ATOM 173 N ASN A 12 34.188 4.856 1.166 1.00 3.03 N ATOM 174 CA ASN A 12 34.826 5.992 1.824 1.00 23.11 C ATOM 175 C ASN A 12 33.825 7.112 2.106 1.00 62.43 C ATOM 176 O ASN A 12 34.111 8.025 2.881 1.00 35.53 O ATOM 177 CB ASN A 12 35.963 6.522 0.950 1.00 51.42 C ATOM 178 CG ASN A 12 37.273 5.844 1.339 1.00 31.42 C ATOM 179 OD1 ASN A 12 37.844 6.150 2.386 1.00 63.45 O ATOM 180 ND2 ASN A 12 37.787 4.934 0.556 1.00 65.21 N ATOM 0 H ASN A 12 33.895 5.025 0.204 1.00 3.03 H new ATOM 0 HA ASN A 12 35.223 5.649 2.779 1.00 23.11 H new ATOM 0 HB2 ASN A 12 35.744 6.334 -0.101 1.00 51.42 H new ATOM 0 HB3 ASN A 12 36.052 7.602 1.069 1.00 51.42 H new ATOM 0 HD21 ASN A 12 38.662 4.476 0.812 1.00 65.21 H new ATOM 0 HD22 ASN A 12 37.313 4.681 -0.311 1.00 65.21 H new ATOM 187 N ARG A 13 32.650 7.036 1.487 1.00 41.31 N ATOM 188 CA ARG A 13 31.619 8.052 1.698 1.00 75.32 C ATOM 189 C ARG A 13 30.250 7.385 1.812 1.00 60.32 C ATOM 190 O ARG A 13 30.043 6.537 2.679 1.00 15.13 O ATOM 191 CB ARG A 13 31.612 9.061 0.542 1.00 11.22 C ATOM 192 CG ARG A 13 33.033 9.568 0.273 1.00 72.44 C ATOM 193 CD ARG A 13 33.405 10.630 1.310 1.00 73.44 C ATOM 194 NE ARG A 13 34.833 10.585 1.597 1.00 2.11 N ATOM 195 CZ ARG A 13 35.373 11.393 2.503 1.00 2.42 C ATOM 196 NH1 ARG A 13 34.620 12.236 3.155 1.00 32.11 N ATOM 197 NH2 ARG A 13 36.655 11.345 2.743 1.00 70.44 N ATOM 0 H ARG A 13 32.388 6.291 0.842 1.00 41.31 H new ATOM 0 HA ARG A 13 31.840 8.585 2.623 1.00 75.32 H new ATOM 0 HB2 ARG A 13 31.209 8.593 -0.356 1.00 11.22 H new ATOM 0 HB3 ARG A 13 30.959 9.899 0.785 1.00 11.22 H new ATOM 0 HG2 ARG A 13 33.740 8.739 0.317 1.00 72.44 H new ATOM 0 HG3 ARG A 13 33.096 9.988 -0.731 1.00 72.44 H new ATOM 0 HD2 ARG A 13 33.133 11.619 0.940 1.00 73.44 H new ATOM 0 HD3 ARG A 13 32.838 10.466 2.227 1.00 73.44 H new ATOM 0 HE ARG A 13 35.426 9.924 1.095 1.00 2.11 H new ATOM 0 HH11 ARG A 13 33.618 12.274 2.969 1.00 32.11 H new ATOM 0 HH12 ARG A 13 35.034 12.857 3.851 1.00 32.11 H new ATOM 0 HH21 ARG A 13 37.245 10.686 2.235 1.00 70.44 H new ATOM 0 HH22 ARG A 13 37.067 11.966 3.439 1.00 70.44 H new ATOM 211 N VAL A 14 29.320 7.754 0.932 1.00 51.21 N ATOM 212 CA VAL A 14 27.996 7.145 0.966 1.00 11.10 C ATOM 213 C VAL A 14 27.290 7.241 -0.394 1.00 72.45 C ATOM 214 O VAL A 14 26.824 6.227 -0.912 1.00 62.50 O ATOM 215 CB VAL A 14 27.140 7.745 2.100 1.00 42.21 C ATOM 216 CG1 VAL A 14 26.811 9.222 1.856 1.00 33.20 C ATOM 217 CG2 VAL A 14 25.841 6.946 2.219 1.00 4.14 C ATOM 0 H VAL A 14 29.455 8.455 0.204 1.00 51.21 H new ATOM 0 HA VAL A 14 28.126 6.084 1.178 1.00 11.10 H new ATOM 0 HB VAL A 14 27.716 7.686 3.024 1.00 42.21 H new ATOM 0 HG11 VAL A 14 26.207 9.601 2.680 1.00 33.20 H new ATOM 0 HG12 VAL A 14 27.736 9.795 1.791 1.00 33.20 H new ATOM 0 HG13 VAL A 14 26.256 9.322 0.923 1.00 33.20 H new ATOM 0 HG21 VAL A 14 25.229 7.363 3.019 1.00 4.14 H new ATOM 0 HG22 VAL A 14 25.294 6.999 1.278 1.00 4.14 H new ATOM 0 HG23 VAL A 14 26.073 5.905 2.445 1.00 4.14 H new ATOM 227 N ILE A 15 27.229 8.438 -0.981 1.00 33.34 N ATOM 228 CA ILE A 15 26.583 8.607 -2.291 1.00 73.50 C ATOM 229 C ILE A 15 27.023 9.906 -2.963 1.00 74.41 C ATOM 230 O ILE A 15 26.434 10.325 -3.959 1.00 2.42 O ATOM 231 CB ILE A 15 25.058 8.633 -2.149 1.00 21.32 C ATOM 232 CG1 ILE A 15 24.663 9.688 -1.113 1.00 74.32 C ATOM 233 CG2 ILE A 15 24.545 7.261 -1.712 1.00 33.32 C ATOM 234 CD1 ILE A 15 23.173 9.559 -0.793 1.00 75.52 C ATOM 0 H ILE A 15 27.612 9.294 -0.580 1.00 33.34 H new ATOM 0 HA ILE A 15 26.885 7.758 -2.904 1.00 73.50 H new ATOM 0 HB ILE A 15 24.613 8.882 -3.112 1.00 21.32 H new ATOM 0 HG12 ILE A 15 25.253 9.560 -0.205 1.00 74.32 H new ATOM 0 HG13 ILE A 15 24.878 10.686 -1.495 1.00 74.32 H new ATOM 0 HG21 ILE A 15 23.460 7.292 -1.615 1.00 33.32 H new ATOM 0 HG22 ILE A 15 24.821 6.515 -2.457 1.00 33.32 H new ATOM 0 HG23 ILE A 15 24.988 6.996 -0.752 1.00 33.32 H new ATOM 0 HD11 ILE A 15 22.893 10.311 -0.055 1.00 75.52 H new ATOM 0 HD12 ILE A 15 22.591 9.709 -1.703 1.00 75.52 H new ATOM 0 HD13 ILE A 15 22.971 8.565 -0.393 1.00 75.52 H new ATOM 246 N GLY A 16 28.053 10.539 -2.420 1.00 52.33 N ATOM 247 CA GLY A 16 28.550 11.785 -2.982 1.00 22.33 C ATOM 248 C GLY A 16 30.062 11.840 -2.869 1.00 13.22 C ATOM 249 O GLY A 16 30.604 12.548 -2.020 1.00 12.11 O ATOM 0 H GLY A 16 28.558 10.212 -1.596 1.00 52.33 H new ATOM 0 HA2 GLY A 16 28.252 11.866 -4.027 1.00 22.33 H new ATOM 0 HA3 GLY A 16 28.107 12.632 -2.458 1.00 22.33 H new ATOM 253 N LYS A 17 30.736 11.078 -3.724 1.00 72.12 N ATOM 254 CA LYS A 17 32.192 11.033 -3.709 1.00 41.34 C ATOM 255 C LYS A 17 32.767 12.165 -4.554 1.00 44.03 C ATOM 256 O LYS A 17 33.805 12.737 -4.219 1.00 74.00 O ATOM 257 CB LYS A 17 32.676 9.670 -4.230 1.00 35.11 C ATOM 258 CG LYS A 17 33.255 9.810 -5.642 1.00 15.40 C ATOM 259 CD LYS A 17 33.422 8.424 -6.265 1.00 32.14 C ATOM 260 CE LYS A 17 34.822 8.299 -6.870 1.00 13.01 C ATOM 261 NZ LYS A 17 35.129 9.517 -7.674 1.00 32.30 N ATOM 0 H LYS A 17 30.300 10.487 -4.432 1.00 72.12 H new ATOM 0 HA LYS A 17 32.541 11.162 -2.684 1.00 41.34 H new ATOM 0 HB2 LYS A 17 33.433 9.265 -3.559 1.00 35.11 H new ATOM 0 HB3 LYS A 17 31.847 8.962 -4.239 1.00 35.11 H new ATOM 0 HG2 LYS A 17 32.595 10.420 -6.258 1.00 15.40 H new ATOM 0 HG3 LYS A 17 34.217 10.321 -5.603 1.00 15.40 H new ATOM 0 HD2 LYS A 17 33.271 7.654 -5.509 1.00 32.14 H new ATOM 0 HD3 LYS A 17 32.667 8.267 -7.035 1.00 32.14 H new ATOM 0 HE2 LYS A 17 35.562 8.177 -6.079 1.00 13.01 H new ATOM 0 HE3 LYS A 17 34.879 7.411 -7.500 1.00 13.01 H new ATOM 0 HZ1 LYS A 17 35.717 9.255 -8.491 1.00 32.30 H new ATOM 0 HZ2 LYS A 17 34.242 9.945 -8.009 1.00 32.30 H new ATOM 0 HZ3 LYS A 17 35.643 10.202 -7.084 1.00 32.30 H new ATOM 275 N ASP A 18 32.085 12.484 -5.648 1.00 34.13 N ATOM 276 CA ASP A 18 32.539 13.552 -6.531 1.00 12.01 C ATOM 277 C ASP A 18 31.346 14.342 -7.043 1.00 72.35 C ATOM 278 O ASP A 18 31.081 14.377 -8.244 1.00 12.33 O ATOM 279 CB ASP A 18 33.311 12.963 -7.712 1.00 72.22 C ATOM 280 CG ASP A 18 34.112 14.057 -8.409 1.00 24.40 C ATOM 281 OD1 ASP A 18 34.113 15.171 -7.912 1.00 25.52 O ATOM 282 OD2 ASP A 18 34.713 13.765 -9.430 1.00 24.12 O ATOM 0 H ASP A 18 31.224 12.024 -5.943 1.00 34.13 H new ATOM 0 HA ASP A 18 33.197 14.217 -5.971 1.00 12.01 H new ATOM 0 HB2 ASP A 18 33.981 12.177 -7.364 1.00 72.22 H new ATOM 0 HB3 ASP A 18 32.618 12.503 -8.417 1.00 72.22 H new ATOM 287 N ASN A 19 30.618 14.960 -6.122 1.00 64.04 N ATOM 288 CA ASN A 19 29.443 15.728 -6.495 1.00 32.34 C ATOM 289 C ASN A 19 28.378 14.787 -7.040 1.00 0.05 C ATOM 290 O ASN A 19 27.279 15.212 -7.398 1.00 10.43 O ATOM 291 CB ASN A 19 29.810 16.770 -7.554 1.00 23.32 C ATOM 292 CG ASN A 19 31.178 17.368 -7.244 1.00 74.05 C ATOM 293 OD1 ASN A 19 32.006 17.525 -8.141 1.00 75.32 O ATOM 294 ND2 ASN A 19 31.466 17.714 -6.019 1.00 3.43 N ATOM 0 H ASN A 19 30.819 14.944 -5.122 1.00 64.04 H new ATOM 0 HA ASN A 19 29.056 16.244 -5.616 1.00 32.34 H new ATOM 0 HB2 ASN A 19 29.821 16.309 -8.542 1.00 23.32 H new ATOM 0 HB3 ASN A 19 29.057 17.557 -7.578 1.00 23.32 H new ATOM 0 HD21 ASN A 19 32.379 18.115 -5.804 1.00 3.43 H new ATOM 0 HD22 ASN A 19 30.778 17.583 -5.277 1.00 3.43 H new ATOM 301 N ASN A 20 28.716 13.499 -7.094 1.00 24.24 N ATOM 302 CA ASN A 20 27.785 12.496 -7.591 1.00 3.21 C ATOM 303 C ASN A 20 28.272 11.081 -7.281 1.00 34.10 C ATOM 304 O ASN A 20 29.182 10.881 -6.464 1.00 71.35 O ATOM 305 CB ASN A 20 27.597 12.651 -9.102 1.00 40.40 C ATOM 306 CG ASN A 20 28.951 12.675 -9.802 1.00 64.02 C ATOM 307 OD1 ASN A 20 29.433 13.810 -10.228 1.00 64.42 O flip ATOM 308 ND2 ASN A 20 29.585 11.633 -9.967 1.00 24.10 N flip ATOM 0 H ASN A 20 29.621 13.131 -6.801 1.00 24.24 H new ATOM 0 HA ASN A 20 26.832 12.651 -7.085 1.00 3.21 H new ATOM 0 HB2 ASN A 20 26.995 11.828 -9.487 1.00 40.40 H new ATOM 0 HB3 ASN A 20 27.053 13.571 -9.316 1.00 40.40 H new ATOM 0 HD21 ASN A 20 29.206 10.747 -9.633 1.00 24.10 H new ATOM 0 HD22 ASN A 20 30.490 11.656 -10.438 1.00 24.10 H new ATOM 315 N LEU A 21 27.640 10.109 -7.943 1.00 5.02 N ATOM 316 CA LEU A 21 27.966 8.698 -7.758 1.00 73.34 C ATOM 317 C LEU A 21 29.164 8.291 -8.616 1.00 2.40 C ATOM 318 O LEU A 21 29.363 8.818 -9.710 1.00 54.40 O ATOM 319 CB LEU A 21 26.768 7.822 -8.165 1.00 75.13 C ATOM 320 CG LEU A 21 25.500 8.194 -7.379 1.00 1.23 C ATOM 321 CD1 LEU A 21 25.725 8.003 -5.878 1.00 54.32 C ATOM 322 CD2 LEU A 21 25.113 9.649 -7.659 1.00 60.21 C ATOM 0 H LEU A 21 26.894 10.279 -8.617 1.00 5.02 H new ATOM 0 HA LEU A 21 28.207 8.553 -6.705 1.00 73.34 H new ATOM 0 HB2 LEU A 21 26.581 7.935 -9.233 1.00 75.13 H new ATOM 0 HB3 LEU A 21 27.009 6.773 -7.993 1.00 75.13 H new ATOM 0 HG LEU A 21 24.691 7.538 -7.702 1.00 1.23 H new ATOM 0 HD11 LEU A 21 24.817 8.271 -5.337 1.00 54.32 H new ATOM 0 HD12 LEU A 21 25.973 6.961 -5.677 1.00 54.32 H new ATOM 0 HD13 LEU A 21 26.545 8.641 -5.549 1.00 54.32 H new ATOM 0 HD21 LEU A 21 24.214 9.901 -7.097 1.00 60.21 H new ATOM 0 HD22 LEU A 21 25.927 10.307 -7.355 1.00 60.21 H new ATOM 0 HD23 LEU A 21 24.922 9.776 -8.725 1.00 60.21 H new ATOM 334 N PRO A 22 29.938 7.345 -8.149 1.00 15.23 N ATOM 335 CA PRO A 22 31.121 6.828 -8.898 1.00 62.22 C ATOM 336 C PRO A 22 30.702 6.251 -10.256 1.00 54.34 C ATOM 337 O PRO A 22 29.881 6.846 -10.953 1.00 2.41 O ATOM 338 CB PRO A 22 31.713 5.752 -7.967 1.00 0.24 C ATOM 339 CG PRO A 22 30.642 5.429 -6.979 1.00 21.14 C ATOM 340 CD PRO A 22 29.769 6.671 -6.855 1.00 0.34 C ATOM 0 HA PRO A 22 31.848 7.605 -9.133 1.00 62.22 H new ATOM 0 HB2 PRO A 22 32.004 4.866 -8.531 1.00 0.24 H new ATOM 0 HB3 PRO A 22 32.608 6.119 -7.466 1.00 0.24 H new ATOM 0 HG2 PRO A 22 30.053 4.574 -7.312 1.00 21.14 H new ATOM 0 HG3 PRO A 22 31.074 5.162 -6.014 1.00 21.14 H new ATOM 0 HD2 PRO A 22 28.726 6.411 -6.672 1.00 0.34 H new ATOM 0 HD3 PRO A 22 30.089 7.305 -6.028 1.00 0.34 H new ATOM 348 N TRP A 23 31.259 5.102 -10.637 1.00 31.54 N ATOM 349 CA TRP A 23 30.910 4.493 -11.917 1.00 72.02 C ATOM 350 C TRP A 23 30.758 2.980 -11.781 1.00 45.01 C ATOM 351 O TRP A 23 31.523 2.330 -11.068 1.00 5.23 O ATOM 352 CB TRP A 23 31.991 4.812 -12.950 1.00 23.15 C ATOM 353 CG TRP A 23 32.043 6.291 -13.164 1.00 4.40 C ATOM 354 CD1 TRP A 23 32.984 7.118 -12.654 1.00 60.05 C ATOM 355 CD2 TRP A 23 31.131 7.129 -13.929 1.00 30.12 C ATOM 356 NE1 TRP A 23 32.708 8.412 -13.060 1.00 21.22 N ATOM 357 CE2 TRP A 23 31.575 8.470 -13.848 1.00 62.50 C ATOM 358 CE3 TRP A 23 29.973 6.859 -14.679 1.00 64.54 C ATOM 359 CZ2 TRP A 23 30.895 9.506 -14.488 1.00 22.32 C ATOM 360 CZ3 TRP A 23 29.285 7.899 -15.325 1.00 61.20 C ATOM 361 CH2 TRP A 23 29.745 9.220 -15.229 1.00 52.55 C ATOM 0 H TRP A 23 31.943 4.582 -10.087 1.00 31.54 H new ATOM 0 HA TRP A 23 29.955 4.905 -12.244 1.00 72.02 H new ATOM 0 HB2 TRP A 23 32.959 4.448 -12.606 1.00 23.15 H new ATOM 0 HB3 TRP A 23 31.775 4.304 -13.890 1.00 23.15 H new ATOM 0 HD1 TRP A 23 33.814 6.818 -12.032 1.00 60.05 H new ATOM 0 HE1 TRP A 23 33.272 9.224 -12.808 1.00 21.22 H new ATOM 0 HE3 TRP A 23 29.610 5.845 -14.759 1.00 64.54 H new ATOM 0 HZ2 TRP A 23 31.254 10.522 -14.412 1.00 22.32 H new ATOM 0 HZ3 TRP A 23 28.397 7.680 -15.899 1.00 61.20 H new ATOM 0 HH2 TRP A 23 29.211 10.016 -15.727 1.00 52.55 H new ATOM 372 N ARG A 24 29.766 2.426 -12.475 1.00 40.21 N ATOM 373 CA ARG A 24 29.522 0.987 -12.431 1.00 45.44 C ATOM 374 C ARG A 24 29.049 0.482 -13.793 1.00 22.41 C ATOM 375 O ARG A 24 28.832 1.267 -14.716 1.00 51.14 O ATOM 376 CB ARG A 24 28.470 0.662 -11.367 1.00 20.11 C ATOM 377 CG ARG A 24 27.113 1.223 -11.794 1.00 75.40 C ATOM 378 CD ARG A 24 26.096 1.011 -10.670 1.00 40.31 C ATOM 379 NE ARG A 24 26.076 -0.390 -10.262 1.00 15.31 N ATOM 380 CZ ARG A 24 26.804 -0.820 -9.237 1.00 11.10 C ATOM 381 NH1 ARG A 24 27.559 0.016 -8.575 1.00 22.31 N ATOM 382 NH2 ARG A 24 26.765 -2.077 -8.890 1.00 35.45 N ATOM 0 H ARG A 24 29.123 2.948 -13.070 1.00 40.21 H new ATOM 0 HA ARG A 24 30.457 0.488 -12.175 1.00 45.44 H new ATOM 0 HB2 ARG A 24 28.401 -0.417 -11.228 1.00 20.11 H new ATOM 0 HB3 ARG A 24 28.765 1.088 -10.408 1.00 20.11 H new ATOM 0 HG2 ARG A 24 27.202 2.285 -12.022 1.00 75.40 H new ATOM 0 HG3 ARG A 24 26.773 0.729 -12.704 1.00 75.40 H new ATOM 0 HD2 ARG A 24 26.349 1.641 -9.818 1.00 40.31 H new ATOM 0 HD3 ARG A 24 25.104 1.313 -11.006 1.00 40.31 H new ATOM 0 HE ARG A 24 25.492 -1.052 -10.773 1.00 15.31 H new ATOM 0 HH11 ARG A 24 27.590 0.999 -8.845 1.00 22.31 H new ATOM 0 HH12 ARG A 24 28.118 -0.315 -7.788 1.00 22.31 H new ATOM 0 HH21 ARG A 24 26.175 -2.730 -9.406 1.00 35.45 H new ATOM 0 HH22 ARG A 24 27.324 -2.406 -8.103 1.00 35.45 H new ATOM 396 N LEU A 25 28.897 -0.834 -13.910 1.00 21.31 N ATOM 397 CA LEU A 25 28.456 -1.438 -15.164 1.00 23.14 C ATOM 398 C LEU A 25 27.471 -0.520 -15.894 1.00 70.25 C ATOM 399 O LEU A 25 26.295 -0.448 -15.525 1.00 32.25 O ATOM 400 CB LEU A 25 27.779 -2.783 -14.880 1.00 43.32 C ATOM 401 CG LEU A 25 28.406 -3.870 -15.756 1.00 65.42 C ATOM 402 CD1 LEU A 25 29.755 -4.287 -15.167 1.00 4.32 C ATOM 403 CD2 LEU A 25 27.476 -5.084 -15.805 1.00 72.41 C ATOM 0 H LEU A 25 29.071 -1.499 -13.157 1.00 21.31 H new ATOM 0 HA LEU A 25 29.330 -1.589 -15.798 1.00 23.14 H new ATOM 0 HB2 LEU A 25 27.890 -3.042 -13.827 1.00 43.32 H new ATOM 0 HB3 LEU A 25 26.710 -2.713 -15.080 1.00 43.32 H new ATOM 0 HG LEU A 25 28.554 -3.483 -16.764 1.00 65.42 H new ATOM 0 HD11 LEU A 25 30.201 -5.061 -15.791 1.00 4.32 H new ATOM 0 HD12 LEU A 25 30.419 -3.423 -15.131 1.00 4.32 H new ATOM 0 HD13 LEU A 25 29.608 -4.674 -14.159 1.00 4.32 H new ATOM 0 HD21 LEU A 25 27.922 -5.859 -16.429 1.00 72.41 H new ATOM 0 HD22 LEU A 25 27.328 -5.470 -14.796 1.00 72.41 H new ATOM 0 HD23 LEU A 25 26.514 -4.789 -16.225 1.00 72.41 H new ATOM 415 N PRO A 26 27.910 0.181 -16.918 1.00 61.42 N ATOM 416 CA PRO A 26 27.018 1.102 -17.675 1.00 42.22 C ATOM 417 C PRO A 26 25.905 0.342 -18.383 1.00 61.33 C ATOM 418 O PRO A 26 24.909 0.927 -18.807 1.00 34.21 O ATOM 419 CB PRO A 26 27.938 1.805 -18.678 1.00 33.53 C ATOM 420 CG PRO A 26 29.191 0.995 -18.745 1.00 10.24 C ATOM 421 CD PRO A 26 29.279 0.165 -17.463 1.00 73.04 C ATOM 0 HA PRO A 26 26.514 1.810 -17.018 1.00 42.22 H new ATOM 0 HB2 PRO A 26 27.465 1.870 -19.658 1.00 33.53 H new ATOM 0 HB3 PRO A 26 28.152 2.825 -18.359 1.00 33.53 H new ATOM 0 HG2 PRO A 26 29.180 0.346 -19.621 1.00 10.24 H new ATOM 0 HG3 PRO A 26 30.061 1.644 -18.840 1.00 10.24 H new ATOM 0 HD2 PRO A 26 29.612 -0.852 -17.671 1.00 73.04 H new ATOM 0 HD3 PRO A 26 29.991 0.596 -16.759 1.00 73.04 H new ATOM 429 N SER A 27 26.077 -0.970 -18.487 1.00 52.12 N ATOM 430 CA SER A 27 25.075 -1.810 -19.122 1.00 12.01 C ATOM 431 C SER A 27 23.963 -2.117 -18.128 1.00 21.43 C ATOM 432 O SER A 27 22.784 -2.145 -18.484 1.00 60.32 O ATOM 433 CB SER A 27 25.711 -3.115 -19.604 1.00 63.32 C ATOM 434 OG SER A 27 24.712 -3.935 -20.196 1.00 53.21 O ATOM 0 H SER A 27 26.896 -1.471 -18.142 1.00 52.12 H new ATOM 0 HA SER A 27 24.660 -1.282 -19.980 1.00 12.01 H new ATOM 0 HB2 SER A 27 26.499 -2.903 -20.327 1.00 63.32 H new ATOM 0 HB3 SER A 27 26.177 -3.636 -18.768 1.00 63.32 H new ATOM 0 HG SER A 27 25.117 -4.771 -20.507 1.00 53.21 H new ATOM 439 N GLU A 28 24.349 -2.332 -16.873 1.00 65.43 N ATOM 440 CA GLU A 28 23.379 -2.626 -15.827 1.00 22.52 C ATOM 441 C GLU A 28 22.427 -1.451 -15.650 1.00 73.53 C ATOM 442 O GLU A 28 21.215 -1.632 -15.538 1.00 0.40 O ATOM 443 CB GLU A 28 24.101 -2.906 -14.507 1.00 0.14 C ATOM 444 CG GLU A 28 23.072 -3.053 -13.384 1.00 22.23 C ATOM 445 CD GLU A 28 22.725 -1.683 -12.813 1.00 34.22 C ATOM 446 OE1 GLU A 28 23.639 -0.904 -12.598 1.00 30.34 O ATOM 447 OE2 GLU A 28 21.551 -1.432 -12.599 1.00 20.41 O ATOM 0 H GLU A 28 25.319 -2.308 -16.559 1.00 65.43 H new ATOM 0 HA GLU A 28 22.808 -3.508 -16.118 1.00 22.52 H new ATOM 0 HB2 GLU A 28 24.696 -3.816 -14.591 1.00 0.14 H new ATOM 0 HB3 GLU A 28 24.791 -2.094 -14.278 1.00 0.14 H new ATOM 0 HG2 GLU A 28 22.172 -3.536 -13.765 1.00 22.23 H new ATOM 0 HG3 GLU A 28 23.469 -3.694 -12.597 1.00 22.23 H new ATOM 454 N LEU A 29 22.985 -0.245 -15.630 1.00 62.52 N ATOM 455 CA LEU A 29 22.172 0.953 -15.470 1.00 40.10 C ATOM 456 C LEU A 29 21.153 1.060 -16.604 1.00 15.03 C ATOM 457 O LEU A 29 20.069 1.618 -16.428 1.00 54.04 O ATOM 458 CB LEU A 29 23.075 2.197 -15.443 1.00 24.01 C ATOM 459 CG LEU A 29 22.997 2.942 -16.781 1.00 11.20 C ATOM 460 CD1 LEU A 29 21.668 3.698 -16.868 1.00 74.51 C ATOM 461 CD2 LEU A 29 24.156 3.936 -16.878 1.00 25.03 C ATOM 0 H LEU A 29 23.986 -0.073 -15.722 1.00 62.52 H new ATOM 0 HA LEU A 29 21.630 0.889 -14.526 1.00 40.10 H new ATOM 0 HB2 LEU A 29 22.769 2.859 -14.633 1.00 24.01 H new ATOM 0 HB3 LEU A 29 24.105 1.902 -15.243 1.00 24.01 H new ATOM 0 HG LEU A 29 23.062 2.226 -17.600 1.00 11.20 H new ATOM 0 HD11 LEU A 29 21.612 4.228 -17.819 1.00 74.51 H new ATOM 0 HD12 LEU A 29 20.842 2.991 -16.798 1.00 74.51 H new ATOM 0 HD13 LEU A 29 21.603 4.415 -16.049 1.00 74.51 H new ATOM 0 HD21 LEU A 29 24.102 4.466 -17.829 1.00 25.03 H new ATOM 0 HD22 LEU A 29 24.091 4.652 -16.059 1.00 25.03 H new ATOM 0 HD23 LEU A 29 25.102 3.399 -16.816 1.00 25.03 H new ATOM 473 N GLN A 30 21.511 0.522 -17.767 1.00 25.25 N ATOM 474 CA GLN A 30 20.623 0.567 -18.922 1.00 70.51 C ATOM 475 C GLN A 30 19.518 -0.476 -18.797 1.00 45.53 C ATOM 476 O GLN A 30 18.350 -0.189 -19.055 1.00 11.25 O ATOM 477 CB GLN A 30 21.423 0.319 -20.204 1.00 64.31 C ATOM 478 CG GLN A 30 21.945 1.652 -20.747 1.00 31.33 C ATOM 479 CD GLN A 30 22.700 1.427 -22.053 1.00 64.40 C ATOM 480 OE1 GLN A 30 22.208 1.782 -23.125 1.00 5.12 O ATOM 481 NE2 GLN A 30 23.872 0.855 -22.028 1.00 60.54 N ATOM 0 H GLN A 30 22.402 0.054 -17.933 1.00 25.25 H new ATOM 0 HA GLN A 30 20.165 1.555 -18.964 1.00 70.51 H new ATOM 0 HB2 GLN A 30 22.256 -0.354 -20.001 1.00 64.31 H new ATOM 0 HB3 GLN A 30 20.794 -0.168 -20.949 1.00 64.31 H new ATOM 0 HG2 GLN A 30 21.113 2.337 -20.912 1.00 31.33 H new ATOM 0 HG3 GLN A 30 22.602 2.120 -20.014 1.00 31.33 H new ATOM 0 HE21 GLN A 30 24.278 0.562 -21.139 1.00 60.54 H new ATOM 0 HE22 GLN A 30 24.383 0.701 -22.897 1.00 60.54 H new ATOM 490 N TYR A 31 19.894 -1.689 -18.404 1.00 4.13 N ATOM 491 CA TYR A 31 18.922 -2.768 -18.255 1.00 61.01 C ATOM 492 C TYR A 31 17.835 -2.388 -17.253 1.00 62.41 C ATOM 493 O TYR A 31 16.644 -2.447 -17.562 1.00 23.10 O ATOM 494 CB TYR A 31 19.627 -4.041 -17.786 1.00 64.43 C ATOM 495 CG TYR A 31 18.664 -5.202 -17.843 1.00 42.03 C ATOM 496 CD1 TYR A 31 18.377 -5.814 -19.069 1.00 14.25 C ATOM 497 CD2 TYR A 31 18.059 -5.668 -16.669 1.00 73.45 C ATOM 498 CE1 TYR A 31 17.485 -6.891 -19.121 1.00 34.14 C ATOM 499 CE2 TYR A 31 17.167 -6.746 -16.721 1.00 53.12 C ATOM 500 CZ TYR A 31 16.880 -7.357 -17.948 1.00 21.01 C ATOM 501 OH TYR A 31 16.001 -8.419 -18.000 1.00 11.21 O ATOM 0 H TYR A 31 20.856 -1.949 -18.185 1.00 4.13 H new ATOM 0 HA TYR A 31 18.455 -2.943 -19.224 1.00 61.01 H new ATOM 0 HB2 TYR A 31 20.493 -4.242 -18.416 1.00 64.43 H new ATOM 0 HB3 TYR A 31 19.996 -3.911 -16.769 1.00 64.43 H new ATOM 0 HD1 TYR A 31 18.844 -5.455 -19.974 1.00 14.25 H new ATOM 0 HD2 TYR A 31 18.281 -5.196 -15.723 1.00 73.45 H new ATOM 0 HE1 TYR A 31 17.263 -7.363 -20.067 1.00 34.14 H new ATOM 0 HE2 TYR A 31 16.701 -7.106 -15.816 1.00 53.12 H new ATOM 0 HH TYR A 31 15.672 -8.616 -17.098 1.00 11.21 H new ATOM 511 N VAL A 32 18.252 -1.995 -16.054 1.00 73.23 N ATOM 512 CA VAL A 32 17.301 -1.607 -15.018 1.00 21.20 C ATOM 513 C VAL A 32 16.456 -0.429 -15.488 1.00 74.51 C ATOM 514 O VAL A 32 15.248 -0.382 -15.256 1.00 14.12 O ATOM 515 CB VAL A 32 18.051 -1.223 -13.740 1.00 24.24 C ATOM 516 CG1 VAL A 32 18.914 0.013 -14.004 1.00 74.00 C ATOM 517 CG2 VAL A 32 17.042 -0.912 -12.633 1.00 53.33 C ATOM 0 H VAL A 32 19.232 -1.937 -15.777 1.00 73.23 H new ATOM 0 HA VAL A 32 16.645 -2.453 -14.813 1.00 21.20 H new ATOM 0 HB VAL A 32 18.689 -2.051 -13.431 1.00 24.24 H new ATOM 0 HG11 VAL A 32 19.448 0.286 -13.093 1.00 74.00 H new ATOM 0 HG12 VAL A 32 19.633 -0.207 -14.794 1.00 74.00 H new ATOM 0 HG13 VAL A 32 18.277 0.842 -14.313 1.00 74.00 H new ATOM 0 HG21 VAL A 32 17.574 -0.638 -11.722 1.00 53.33 H new ATOM 0 HG22 VAL A 32 16.405 -0.084 -12.944 1.00 53.33 H new ATOM 0 HG23 VAL A 32 16.427 -1.792 -12.444 1.00 53.33 H new ATOM 527 N LYS A 33 17.106 0.521 -16.147 1.00 10.43 N ATOM 528 CA LYS A 33 16.422 1.705 -16.649 1.00 0.03 C ATOM 529 C LYS A 33 15.231 1.326 -17.530 1.00 20.45 C ATOM 530 O LYS A 33 14.086 1.644 -17.209 1.00 60.25 O ATOM 531 CB LYS A 33 17.407 2.556 -17.451 1.00 31.54 C ATOM 532 CG LYS A 33 16.655 3.665 -18.190 1.00 1.11 C ATOM 533 CD LYS A 33 17.659 4.531 -18.950 1.00 3.33 C ATOM 534 CE LYS A 33 16.928 5.340 -20.023 1.00 62.35 C ATOM 535 NZ LYS A 33 17.801 6.457 -20.479 1.00 54.24 N ATOM 0 H LYS A 33 18.106 0.495 -16.346 1.00 10.43 H new ATOM 0 HA LYS A 33 16.045 2.272 -15.798 1.00 0.03 H new ATOM 0 HB2 LYS A 33 18.152 2.991 -16.785 1.00 31.54 H new ATOM 0 HB3 LYS A 33 17.944 1.931 -18.164 1.00 31.54 H new ATOM 0 HG2 LYS A 33 15.932 3.232 -18.882 1.00 1.11 H new ATOM 0 HG3 LYS A 33 16.093 4.274 -17.482 1.00 1.11 H new ATOM 0 HD2 LYS A 33 18.172 5.202 -18.260 1.00 3.33 H new ATOM 0 HD3 LYS A 33 18.422 3.903 -19.410 1.00 3.33 H new ATOM 0 HE2 LYS A 33 16.670 4.698 -20.865 1.00 62.35 H new ATOM 0 HE3 LYS A 33 15.993 5.734 -19.624 1.00 62.35 H new ATOM 0 HZ1 LYS A 33 17.306 7.009 -21.209 1.00 54.24 H new ATOM 0 HZ2 LYS A 33 18.026 7.073 -19.672 1.00 54.24 H new ATOM 0 HZ3 LYS A 33 18.681 6.070 -20.875 1.00 54.24 H new ATOM 549 N LYS A 34 15.507 0.659 -18.648 1.00 54.41 N ATOM 550 CA LYS A 34 14.445 0.262 -19.572 1.00 31.51 C ATOM 551 C LYS A 34 13.451 -0.679 -18.902 1.00 43.03 C ATOM 552 O LYS A 34 12.336 -0.866 -19.390 1.00 22.24 O ATOM 553 CB LYS A 34 15.046 -0.418 -20.804 1.00 75.30 C ATOM 554 CG LYS A 34 15.813 -1.672 -20.381 1.00 42.50 C ATOM 555 CD LYS A 34 16.345 -2.387 -21.626 1.00 51.22 C ATOM 556 CE LYS A 34 17.582 -1.652 -22.149 1.00 30.34 C ATOM 557 NZ LYS A 34 18.176 -2.419 -23.280 1.00 3.44 N ATOM 0 H LYS A 34 16.446 0.384 -18.935 1.00 54.41 H new ATOM 0 HA LYS A 34 13.913 1.163 -19.876 1.00 31.51 H new ATOM 0 HB2 LYS A 34 14.256 -0.684 -21.506 1.00 75.30 H new ATOM 0 HB3 LYS A 34 15.714 0.271 -21.321 1.00 75.30 H new ATOM 0 HG2 LYS A 34 16.639 -1.402 -19.723 1.00 42.50 H new ATOM 0 HG3 LYS A 34 15.160 -2.338 -19.817 1.00 42.50 H new ATOM 0 HD2 LYS A 34 16.598 -3.420 -21.385 1.00 51.22 H new ATOM 0 HD3 LYS A 34 15.575 -2.419 -22.397 1.00 51.22 H new ATOM 0 HE2 LYS A 34 17.310 -0.650 -22.479 1.00 30.34 H new ATOM 0 HE3 LYS A 34 18.314 -1.537 -21.350 1.00 30.34 H new ATOM 0 HZ1 LYS A 34 19.016 -1.919 -23.635 1.00 3.44 H new ATOM 0 HZ2 LYS A 34 18.450 -3.367 -22.951 1.00 3.44 H new ATOM 0 HZ3 LYS A 34 17.477 -2.507 -24.045 1.00 3.44 H new ATOM 571 N THR A 35 13.854 -1.270 -17.785 1.00 4.12 N ATOM 572 CA THR A 35 12.976 -2.187 -17.069 1.00 54.20 C ATOM 573 C THR A 35 12.130 -1.429 -16.043 1.00 3.04 C ATOM 574 O THR A 35 11.014 -1.838 -15.721 1.00 34.11 O ATOM 575 CB THR A 35 13.815 -3.275 -16.378 1.00 41.22 C ATOM 576 OG1 THR A 35 13.716 -4.481 -17.123 1.00 44.13 O ATOM 577 CG2 THR A 35 13.308 -3.517 -14.954 1.00 72.53 C ATOM 0 H THR A 35 14.771 -1.134 -17.359 1.00 4.12 H new ATOM 0 HA THR A 35 12.301 -2.660 -17.782 1.00 54.20 H new ATOM 0 HB THR A 35 14.853 -2.947 -16.330 1.00 41.22 H new ATOM 0 HG1 THR A 35 14.250 -5.179 -16.689 1.00 44.13 H new ATOM 0 HG21 THR A 35 13.912 -4.290 -14.479 1.00 72.53 H new ATOM 0 HG22 THR A 35 13.382 -2.594 -14.379 1.00 72.53 H new ATOM 0 HG23 THR A 35 12.268 -3.840 -14.988 1.00 72.53 H new ATOM 585 N THR A 36 12.668 -0.325 -15.532 1.00 41.11 N ATOM 586 CA THR A 36 11.952 0.476 -14.542 1.00 31.32 C ATOM 587 C THR A 36 11.382 1.743 -15.174 1.00 73.14 C ATOM 588 O THR A 36 10.715 2.536 -14.507 1.00 44.21 O ATOM 589 CB THR A 36 12.895 0.859 -13.398 1.00 41.10 C ATOM 590 OG1 THR A 36 13.996 1.589 -13.920 1.00 71.23 O ATOM 591 CG2 THR A 36 13.401 -0.406 -12.702 1.00 50.22 C ATOM 0 H THR A 36 13.589 0.034 -15.784 1.00 41.11 H new ATOM 0 HA THR A 36 11.128 -0.123 -14.154 1.00 31.32 H new ATOM 0 HB THR A 36 12.359 1.475 -12.676 1.00 41.10 H new ATOM 0 HG1 THR A 36 14.623 0.972 -14.352 1.00 71.23 H new ATOM 0 HG21 THR A 36 14.072 -0.130 -11.888 1.00 50.22 H new ATOM 0 HG22 THR A 36 12.555 -0.964 -12.301 1.00 50.22 H new ATOM 0 HG23 THR A 36 13.937 -1.026 -13.420 1.00 50.22 H new ATOM 599 N MET A 37 11.647 1.931 -16.462 1.00 21.32 N ATOM 600 CA MET A 37 11.153 3.109 -17.165 1.00 3.23 C ATOM 601 C MET A 37 9.653 3.276 -16.951 1.00 15.41 C ATOM 602 O MET A 37 8.897 2.305 -16.991 1.00 21.54 O ATOM 603 CB MET A 37 11.440 2.987 -18.663 1.00 13.21 C ATOM 604 CG MET A 37 10.424 2.037 -19.297 1.00 35.42 C ATOM 605 SD MET A 37 11.128 1.305 -20.794 1.00 45.11 S ATOM 606 CE MET A 37 9.618 1.341 -21.788 1.00 62.11 C ATOM 0 H MET A 37 12.195 1.290 -17.036 1.00 21.32 H new ATOM 0 HA MET A 37 11.667 3.983 -16.765 1.00 3.23 H new ATOM 0 HB2 MET A 37 11.383 3.967 -19.137 1.00 13.21 H new ATOM 0 HB3 MET A 37 12.452 2.614 -18.822 1.00 13.21 H new ATOM 0 HG2 MET A 37 10.153 1.253 -18.590 1.00 35.42 H new ATOM 0 HG3 MET A 37 9.509 2.577 -19.540 1.00 35.42 H new ATOM 0 HE1 MET A 37 9.822 0.927 -22.775 1.00 62.11 H new ATOM 0 HE2 MET A 37 8.846 0.748 -21.298 1.00 62.11 H new ATOM 0 HE3 MET A 37 9.274 2.370 -21.890 1.00 62.11 H new ATOM 616 N GLY A 38 9.229 4.515 -16.728 1.00 25.11 N ATOM 617 CA GLY A 38 7.817 4.799 -16.513 1.00 15.31 C ATOM 618 C GLY A 38 7.465 4.727 -15.032 1.00 32.32 C ATOM 619 O GLY A 38 6.373 5.124 -14.625 1.00 53.45 O ATOM 0 H GLY A 38 9.838 5.332 -16.692 1.00 25.11 H new ATOM 0 HA2 GLY A 38 7.579 5.790 -16.899 1.00 15.31 H new ATOM 0 HA3 GLY A 38 7.210 4.085 -17.070 1.00 15.31 H new ATOM 623 N HIS A 39 8.392 4.216 -14.230 1.00 63.13 N ATOM 624 CA HIS A 39 8.161 4.096 -12.795 1.00 1.11 C ATOM 625 C HIS A 39 8.459 5.416 -12.091 1.00 32.43 C ATOM 626 O HIS A 39 9.348 6.162 -12.500 1.00 14.42 O ATOM 627 CB HIS A 39 9.045 2.992 -12.217 1.00 34.31 C ATOM 628 CG HIS A 39 8.642 1.671 -12.813 1.00 71.52 C ATOM 629 ND1 HIS A 39 7.680 1.572 -13.807 1.00 71.13 N ATOM 630 CD2 HIS A 39 9.059 0.388 -12.565 1.00 13.42 C ATOM 631 CE1 HIS A 39 7.553 0.269 -14.118 1.00 21.54 C ATOM 632 NE2 HIS A 39 8.371 -0.496 -13.391 1.00 3.44 N ATOM 0 H HIS A 39 9.303 3.881 -14.545 1.00 63.13 H new ATOM 0 HA HIS A 39 7.113 3.843 -12.633 1.00 1.11 H new ATOM 0 HB2 HIS A 39 10.093 3.198 -12.435 1.00 34.31 H new ATOM 0 HB3 HIS A 39 8.945 2.960 -11.132 1.00 34.31 H new ATOM 0 HD2 HIS A 39 9.807 0.107 -11.839 1.00 13.42 H new ATOM 0 HE1 HIS A 39 6.872 -0.112 -14.865 1.00 21.54 H new ATOM 0 HE2 HIS A 39 8.470 -1.510 -13.432 1.00 3.44 H new ATOM 641 N PRO A 40 7.732 5.715 -11.046 1.00 45.30 N ATOM 642 CA PRO A 40 7.919 6.975 -10.270 1.00 73.43 C ATOM 643 C PRO A 40 9.230 6.977 -9.490 1.00 65.52 C ATOM 644 O PRO A 40 9.349 6.322 -8.453 1.00 13.24 O ATOM 645 CB PRO A 40 6.718 7.005 -9.323 1.00 53.42 C ATOM 646 CG PRO A 40 6.295 5.583 -9.177 1.00 11.51 C ATOM 647 CD PRO A 40 6.655 4.884 -10.487 1.00 45.31 C ATOM 0 HA PRO A 40 7.973 7.850 -10.918 1.00 73.43 H new ATOM 0 HB2 PRO A 40 6.988 7.436 -8.359 1.00 53.42 H new ATOM 0 HB3 PRO A 40 5.912 7.615 -9.730 1.00 53.42 H new ATOM 0 HG2 PRO A 40 6.802 5.112 -8.335 1.00 11.51 H new ATOM 0 HG3 PRO A 40 5.225 5.515 -8.983 1.00 11.51 H new ATOM 0 HD2 PRO A 40 6.988 3.860 -10.315 1.00 45.31 H new ATOM 0 HD3 PRO A 40 5.800 4.832 -11.161 1.00 45.31 H new ATOM 655 N LEU A 41 10.209 7.718 -9.997 1.00 11.11 N ATOM 656 CA LEU A 41 11.508 7.802 -9.341 1.00 74.32 C ATOM 657 C LEU A 41 11.612 9.094 -8.538 1.00 21.04 C ATOM 658 O LEU A 41 11.715 10.181 -9.104 1.00 34.44 O ATOM 659 CB LEU A 41 12.631 7.756 -10.384 1.00 1.52 C ATOM 660 CG LEU A 41 13.618 6.632 -10.051 1.00 62.30 C ATOM 661 CD1 LEU A 41 13.145 5.330 -10.699 1.00 72.35 C ATOM 662 CD2 LEU A 41 14.998 7.000 -10.596 1.00 21.41 C ATOM 0 H LEU A 41 10.129 8.265 -10.854 1.00 11.11 H new ATOM 0 HA LEU A 41 11.609 6.952 -8.666 1.00 74.32 H new ATOM 0 HB2 LEU A 41 12.209 7.597 -11.376 1.00 1.52 H new ATOM 0 HB3 LEU A 41 13.153 8.713 -10.409 1.00 1.52 H new ATOM 0 HG LEU A 41 13.673 6.499 -8.971 1.00 62.30 H new ATOM 0 HD11 LEU A 41 13.847 4.530 -10.463 1.00 72.35 H new ATOM 0 HD12 LEU A 41 12.157 5.071 -10.317 1.00 72.35 H new ATOM 0 HD13 LEU A 41 13.093 5.459 -11.780 1.00 72.35 H new ATOM 0 HD21 LEU A 41 15.705 6.204 -10.362 1.00 21.41 H new ATOM 0 HD22 LEU A 41 14.940 7.128 -11.677 1.00 21.41 H new ATOM 0 HD23 LEU A 41 15.334 7.930 -10.138 1.00 21.41 H new ATOM 674 N ILE A 42 11.581 8.965 -7.218 1.00 12.31 N ATOM 675 CA ILE A 42 11.671 10.128 -6.343 1.00 53.41 C ATOM 676 C ILE A 42 13.110 10.351 -5.895 1.00 12.45 C ATOM 677 O ILE A 42 13.677 9.530 -5.179 1.00 71.01 O ATOM 678 CB ILE A 42 10.780 9.922 -5.117 1.00 15.23 C ATOM 679 CG1 ILE A 42 9.313 10.066 -5.526 1.00 4.45 C ATOM 680 CG2 ILE A 42 11.119 10.969 -4.055 1.00 0.24 C ATOM 681 CD1 ILE A 42 8.795 8.722 -6.043 1.00 21.22 C ATOM 0 H ILE A 42 11.495 8.073 -6.731 1.00 12.31 H new ATOM 0 HA ILE A 42 11.336 11.005 -6.896 1.00 53.41 H new ATOM 0 HB ILE A 42 10.949 8.926 -4.708 1.00 15.23 H new ATOM 0 HG12 ILE A 42 8.717 10.395 -4.674 1.00 4.45 H new ATOM 0 HG13 ILE A 42 9.213 10.828 -6.298 1.00 4.45 H new ATOM 0 HG21 ILE A 42 10.483 10.821 -3.182 1.00 0.24 H new ATOM 0 HG22 ILE A 42 12.164 10.867 -3.764 1.00 0.24 H new ATOM 0 HG23 ILE A 42 10.951 11.967 -4.461 1.00 0.24 H new ATOM 0 HD11 ILE A 42 7.750 8.823 -6.335 1.00 21.22 H new ATOM 0 HD12 ILE A 42 9.384 8.412 -6.906 1.00 21.22 H new ATOM 0 HD13 ILE A 42 8.881 7.972 -5.257 1.00 21.22 H new ATOM 693 N MET A 43 13.694 11.468 -6.319 1.00 3.13 N ATOM 694 CA MET A 43 15.070 11.785 -5.949 1.00 52.45 C ATOM 695 C MET A 43 15.133 13.103 -5.183 1.00 11.21 C ATOM 696 O MET A 43 14.228 13.931 -5.279 1.00 0.41 O ATOM 697 CB MET A 43 15.941 11.882 -7.203 1.00 75.21 C ATOM 698 CG MET A 43 15.485 10.839 -8.225 1.00 23.24 C ATOM 699 SD MET A 43 16.935 10.038 -8.955 1.00 0.31 S ATOM 700 CE MET A 43 17.606 11.499 -9.785 1.00 62.23 C ATOM 0 H MET A 43 13.242 12.163 -6.913 1.00 3.13 H new ATOM 0 HA MET A 43 15.443 10.987 -5.307 1.00 52.45 H new ATOM 0 HB2 MET A 43 15.869 12.882 -7.632 1.00 75.21 H new ATOM 0 HB3 MET A 43 16.988 11.720 -6.945 1.00 75.21 H new ATOM 0 HG2 MET A 43 14.849 10.096 -7.744 1.00 23.24 H new ATOM 0 HG3 MET A 43 14.888 11.314 -9.003 1.00 23.24 H new ATOM 0 HE1 MET A 43 18.341 11.190 -10.528 1.00 62.23 H new ATOM 0 HE2 MET A 43 16.798 12.041 -10.277 1.00 62.23 H new ATOM 0 HE3 MET A 43 18.083 12.148 -9.050 1.00 62.23 H new ATOM 710 N GLY A 44 16.210 13.292 -4.426 1.00 2.22 N ATOM 711 CA GLY A 44 16.380 14.516 -3.651 1.00 2.22 C ATOM 712 C GLY A 44 16.773 15.679 -4.556 1.00 25.15 C ATOM 713 O GLY A 44 17.619 15.532 -5.438 1.00 23.22 O ATOM 0 H GLY A 44 16.971 12.620 -4.333 1.00 2.22 H new ATOM 0 HA2 GLY A 44 15.453 14.753 -3.129 1.00 2.22 H new ATOM 0 HA3 GLY A 44 17.146 14.367 -2.890 1.00 2.22 H new ATOM 717 N ARG A 45 16.154 16.835 -4.335 1.00 33.51 N ATOM 718 CA ARG A 45 16.452 18.011 -5.145 1.00 55.43 C ATOM 719 C ARG A 45 17.952 18.288 -5.156 1.00 44.04 C ATOM 720 O ARG A 45 18.476 18.879 -6.100 1.00 13.11 O ATOM 721 CB ARG A 45 15.694 19.230 -4.609 1.00 32.23 C ATOM 722 CG ARG A 45 16.411 19.802 -3.382 1.00 33.32 C ATOM 723 CD ARG A 45 17.129 21.097 -3.770 1.00 71.40 C ATOM 724 NE ARG A 45 16.185 22.211 -3.777 1.00 64.03 N ATOM 725 CZ ARG A 45 16.520 23.408 -3.301 1.00 25.25 C ATOM 726 NH1 ARG A 45 17.717 23.615 -2.821 1.00 4.31 N ATOM 727 NH2 ARG A 45 15.650 24.381 -3.317 1.00 63.54 N ATOM 0 H ARG A 45 15.451 16.982 -3.611 1.00 33.51 H new ATOM 0 HA ARG A 45 16.128 17.816 -6.167 1.00 55.43 H new ATOM 0 HB2 ARG A 45 15.621 19.992 -5.385 1.00 32.23 H new ATOM 0 HB3 ARG A 45 14.675 18.946 -4.345 1.00 32.23 H new ATOM 0 HG2 ARG A 45 15.693 19.996 -2.585 1.00 33.32 H new ATOM 0 HG3 ARG A 45 17.128 19.078 -2.996 1.00 33.32 H new ATOM 0 HD2 ARG A 45 17.937 21.299 -3.067 1.00 71.40 H new ATOM 0 HD3 ARG A 45 17.584 20.989 -4.755 1.00 71.40 H new ATOM 0 HE ARG A 45 15.248 22.069 -4.155 1.00 64.03 H new ATOM 0 HH11 ARG A 45 18.400 22.858 -2.810 1.00 4.31 H new ATOM 0 HH12 ARG A 45 17.969 24.534 -2.457 1.00 4.31 H new ATOM 0 HH21 ARG A 45 14.715 24.223 -3.694 1.00 63.54 H new ATOM 0 HH22 ARG A 45 15.905 25.299 -2.953 1.00 63.54 H new ATOM 741 N LYS A 46 18.640 17.850 -4.106 1.00 42.32 N ATOM 742 CA LYS A 46 20.080 18.051 -4.017 1.00 32.43 C ATOM 743 C LYS A 46 20.786 17.212 -5.074 1.00 53.34 C ATOM 744 O LYS A 46 21.640 17.708 -5.808 1.00 54.21 O ATOM 745 CB LYS A 46 20.583 17.662 -2.625 1.00 64.44 C ATOM 746 CG LYS A 46 20.570 18.890 -1.712 1.00 72.45 C ATOM 747 CD LYS A 46 21.356 18.586 -0.435 1.00 1.12 C ATOM 748 CE LYS A 46 21.165 19.727 0.567 1.00 3.14 C ATOM 749 NZ LYS A 46 20.642 20.929 -0.143 1.00 33.01 N ATOM 0 H LYS A 46 18.228 17.359 -3.313 1.00 42.32 H new ATOM 0 HA LYS A 46 20.299 19.105 -4.190 1.00 32.43 H new ATOM 0 HB2 LYS A 46 19.953 16.878 -2.206 1.00 64.44 H new ATOM 0 HB3 LYS A 46 21.593 17.257 -2.692 1.00 64.44 H new ATOM 0 HG2 LYS A 46 21.010 19.744 -2.227 1.00 72.45 H new ATOM 0 HG3 LYS A 46 19.544 19.161 -1.464 1.00 72.45 H new ATOM 0 HD2 LYS A 46 21.015 17.646 -0.001 1.00 1.12 H new ATOM 0 HD3 LYS A 46 22.414 18.465 -0.667 1.00 1.12 H new ATOM 0 HE2 LYS A 46 20.471 19.424 1.351 1.00 3.14 H new ATOM 0 HE3 LYS A 46 22.112 19.962 1.052 1.00 3.14 H new ATOM 0 HZ1 LYS A 46 20.624 21.738 0.511 1.00 33.01 H new ATOM 0 HZ2 LYS A 46 21.258 21.150 -0.951 1.00 33.01 H new ATOM 0 HZ3 LYS A 46 19.678 20.738 -0.485 1.00 33.01 H new ATOM 763 N ASN A 47 20.413 15.938 -5.152 1.00 72.41 N ATOM 764 CA ASN A 47 21.007 15.039 -6.133 1.00 1.32 C ATOM 765 C ASN A 47 20.803 15.592 -7.540 1.00 44.12 C ATOM 766 O ASN A 47 21.765 15.869 -8.254 1.00 12.43 O ATOM 767 CB ASN A 47 20.363 13.655 -6.031 1.00 23.03 C ATOM 768 CG ASN A 47 20.068 13.324 -4.572 1.00 45.43 C ATOM 769 OD1 ASN A 47 18.831 13.273 -4.161 1.00 3.23 O flip ATOM 770 ND2 ASN A 47 20.990 13.106 -3.786 1.00 2.32 N flip ATOM 0 H ASN A 47 19.708 15.509 -4.553 1.00 72.41 H new ATOM 0 HA ASN A 47 22.075 14.956 -5.931 1.00 1.32 H new ATOM 0 HB2 ASN A 47 19.441 13.630 -6.612 1.00 23.03 H new ATOM 0 HB3 ASN A 47 21.028 12.903 -6.456 1.00 23.03 H new ATOM 0 HD21 ASN A 47 21.956 13.146 -4.110 1.00 2.32 H new ATOM 0 HD22 ASN A 47 20.788 12.885 -2.811 1.00 2.32 H new ATOM 777 N TYR A 48 19.542 15.754 -7.925 1.00 51.33 N ATOM 778 CA TYR A 48 19.213 16.278 -9.246 1.00 10.52 C ATOM 779 C TYR A 48 20.071 17.497 -9.569 1.00 30.11 C ATOM 780 O TYR A 48 20.513 17.675 -10.705 1.00 52.23 O ATOM 781 CB TYR A 48 17.735 16.664 -9.294 1.00 41.30 C ATOM 782 CG TYR A 48 17.455 17.439 -10.560 1.00 53.34 C ATOM 783 CD1 TYR A 48 17.826 18.786 -10.653 1.00 60.23 C ATOM 784 CD2 TYR A 48 16.823 16.811 -11.640 1.00 23.41 C ATOM 785 CE1 TYR A 48 17.563 19.505 -11.826 1.00 12.04 C ATOM 786 CE2 TYR A 48 16.561 17.530 -12.812 1.00 51.13 C ATOM 787 CZ TYR A 48 16.931 18.876 -12.906 1.00 62.12 C ATOM 788 OH TYR A 48 16.671 19.584 -14.062 1.00 31.00 O ATOM 0 H TYR A 48 18.734 15.531 -7.344 1.00 51.33 H new ATOM 0 HA TYR A 48 19.413 15.504 -9.987 1.00 10.52 H new ATOM 0 HB2 TYR A 48 17.114 15.769 -9.258 1.00 41.30 H new ATOM 0 HB3 TYR A 48 17.477 17.266 -8.423 1.00 41.30 H new ATOM 0 HD1 TYR A 48 18.315 19.270 -9.821 1.00 60.23 H new ATOM 0 HD2 TYR A 48 16.538 15.772 -11.569 1.00 23.41 H new ATOM 0 HE1 TYR A 48 17.848 20.544 -11.898 1.00 12.04 H new ATOM 0 HE2 TYR A 48 16.073 17.045 -13.645 1.00 51.13 H new ATOM 0 HH TYR A 48 16.229 18.998 -14.712 1.00 31.00 H new ATOM 798 N GLU A 49 20.300 18.336 -8.564 1.00 25.32 N ATOM 799 CA GLU A 49 21.103 19.537 -8.752 1.00 71.20 C ATOM 800 C GLU A 49 22.578 19.181 -8.926 1.00 33.33 C ATOM 801 O GLU A 49 23.318 19.886 -9.613 1.00 21.32 O ATOM 802 CB GLU A 49 20.935 20.468 -7.550 1.00 13.22 C ATOM 803 CG GLU A 49 19.720 21.372 -7.771 1.00 4.23 C ATOM 804 CD GLU A 49 20.032 22.414 -8.838 1.00 63.54 C ATOM 805 OE1 GLU A 49 20.510 23.476 -8.478 1.00 11.22 O ATOM 806 OE2 GLU A 49 19.787 22.134 -10.000 1.00 72.12 O ATOM 0 H GLU A 49 19.943 18.207 -7.617 1.00 25.32 H new ATOM 0 HA GLU A 49 20.760 20.043 -9.654 1.00 71.20 H new ATOM 0 HB2 GLU A 49 20.806 19.884 -6.639 1.00 13.22 H new ATOM 0 HB3 GLU A 49 21.832 21.073 -7.416 1.00 13.22 H new ATOM 0 HG2 GLU A 49 18.862 20.773 -8.076 1.00 4.23 H new ATOM 0 HG3 GLU A 49 19.449 21.865 -6.838 1.00 4.23 H new ATOM 813 N ALA A 50 23.000 18.087 -8.300 1.00 43.31 N ATOM 814 CA ALA A 50 24.391 17.653 -8.394 1.00 74.11 C ATOM 815 C ALA A 50 24.657 16.958 -9.726 1.00 30.14 C ATOM 816 O ALA A 50 25.649 17.244 -10.398 1.00 51.13 O ATOM 817 CB ALA A 50 24.718 16.699 -7.245 1.00 74.23 C ATOM 0 H ALA A 50 22.405 17.489 -7.727 1.00 43.31 H new ATOM 0 HA ALA A 50 25.028 18.535 -8.330 1.00 74.11 H new ATOM 0 HB1 ALA A 50 25.757 16.380 -7.322 1.00 74.23 H new ATOM 0 HB2 ALA A 50 24.564 17.209 -6.294 1.00 74.23 H new ATOM 0 HB3 ALA A 50 24.066 15.827 -7.299 1.00 74.23 H new ATOM 823 N ILE A 51 23.771 16.042 -10.102 1.00 51.34 N ATOM 824 CA ILE A 51 23.931 15.314 -11.355 1.00 31.23 C ATOM 825 C ILE A 51 23.674 16.231 -12.547 1.00 70.12 C ATOM 826 O ILE A 51 24.528 16.382 -13.420 1.00 44.41 O ATOM 827 CB ILE A 51 22.964 14.128 -11.402 1.00 64.13 C ATOM 828 CG1 ILE A 51 23.471 13.012 -10.482 1.00 30.33 C ATOM 829 CG2 ILE A 51 22.874 13.599 -12.834 1.00 31.34 C ATOM 830 CD1 ILE A 51 22.978 13.259 -9.055 1.00 41.44 C ATOM 0 H ILE A 51 22.943 15.788 -9.563 1.00 51.34 H new ATOM 0 HA ILE A 51 24.956 14.947 -11.408 1.00 31.23 H new ATOM 0 HB ILE A 51 21.979 14.454 -11.069 1.00 64.13 H new ATOM 0 HG12 ILE A 51 23.116 12.045 -10.838 1.00 30.33 H new ATOM 0 HG13 ILE A 51 24.560 12.979 -10.500 1.00 30.33 H new ATOM 0 HG21 ILE A 51 22.186 12.755 -12.867 1.00 31.34 H new ATOM 0 HG22 ILE A 51 22.511 14.389 -13.492 1.00 31.34 H new ATOM 0 HG23 ILE A 51 23.861 13.276 -13.165 1.00 31.34 H new ATOM 0 HD11 ILE A 51 23.340 12.464 -8.402 1.00 41.44 H new ATOM 0 HD12 ILE A 51 23.354 14.219 -8.701 1.00 41.44 H new ATOM 0 HD13 ILE A 51 21.888 13.270 -9.043 1.00 41.44 H new ATOM 842 N GLY A 52 22.495 16.844 -12.580 1.00 11.20 N ATOM 843 CA GLY A 52 22.147 17.743 -13.674 1.00 21.11 C ATOM 844 C GLY A 52 20.693 17.561 -14.094 1.00 34.11 C ATOM 845 O GLY A 52 19.788 18.169 -13.521 1.00 73.23 O ATOM 0 H GLY A 52 21.771 16.736 -11.869 1.00 11.20 H new ATOM 0 HA2 GLY A 52 22.313 18.776 -13.367 1.00 21.11 H new ATOM 0 HA3 GLY A 52 22.801 17.554 -14.525 1.00 21.11 H new ATOM 927 N ARG A 58 11.866 8.523 -18.016 1.00 44.34 N ATOM 928 CA ARG A 58 10.908 9.578 -18.342 1.00 22.41 C ATOM 929 C ARG A 58 9.871 9.747 -17.234 1.00 64.34 C ATOM 930 O ARG A 58 8.667 9.729 -17.492 1.00 1.14 O ATOM 931 CB ARG A 58 10.196 9.245 -19.655 1.00 1.12 C ATOM 932 CG ARG A 58 9.304 10.421 -20.067 1.00 32.51 C ATOM 933 CD ARG A 58 9.789 11.001 -21.398 1.00 55.10 C ATOM 934 NE ARG A 58 11.248 11.063 -21.427 1.00 70.41 N ATOM 935 CZ ARG A 58 11.893 12.192 -21.711 1.00 41.02 C ATOM 936 NH1 ARG A 58 11.230 13.288 -21.971 1.00 5.45 N ATOM 937 NH2 ARG A 58 13.197 12.204 -21.736 1.00 11.24 N ATOM 0 HA ARG A 58 11.460 10.513 -18.444 1.00 22.41 H new ATOM 0 HB2 ARG A 58 10.928 9.040 -20.436 1.00 1.12 H new ATOM 0 HB3 ARG A 58 9.595 8.343 -19.536 1.00 1.12 H new ATOM 0 HG2 ARG A 58 8.270 10.089 -20.160 1.00 32.51 H new ATOM 0 HG3 ARG A 58 9.323 11.191 -19.296 1.00 32.51 H new ATOM 0 HD2 ARG A 58 9.429 10.386 -22.222 1.00 55.10 H new ATOM 0 HD3 ARG A 58 9.374 11.999 -21.540 1.00 55.10 H new ATOM 0 HE ARG A 58 11.786 10.220 -21.225 1.00 70.41 H new ATOM 0 HH11 ARG A 58 10.210 13.283 -21.957 1.00 5.45 H new ATOM 0 HH12 ARG A 58 11.733 14.149 -22.188 1.00 5.45 H new ATOM 0 HH21 ARG A 58 13.719 11.350 -21.538 1.00 11.24 H new ATOM 0 HH22 ARG A 58 13.695 13.067 -21.953 1.00 11.24 H new ATOM 951 N ARG A 59 10.342 9.918 -16.003 1.00 33.15 N ATOM 952 CA ARG A 59 9.440 10.095 -14.868 1.00 24.02 C ATOM 953 C ARG A 59 10.236 10.314 -13.586 1.00 15.35 C ATOM 954 O ARG A 59 10.202 9.486 -12.675 1.00 32.00 O ATOM 955 CB ARG A 59 8.544 8.861 -14.716 1.00 63.31 C ATOM 956 CG ARG A 59 7.306 9.216 -13.887 1.00 4.32 C ATOM 957 CD ARG A 59 6.044 8.956 -14.712 1.00 54.24 C ATOM 958 NE ARG A 59 5.894 9.974 -15.746 1.00 44.34 N ATOM 959 CZ ARG A 59 5.272 11.122 -15.495 1.00 75.42 C ATOM 960 NH1 ARG A 59 4.794 11.356 -14.303 1.00 3.32 N ATOM 961 NH2 ARG A 59 5.138 12.014 -16.438 1.00 4.31 N ATOM 0 H ARG A 59 11.334 9.938 -15.766 1.00 33.15 H new ATOM 0 HA ARG A 59 8.818 10.972 -15.050 1.00 24.02 H new ATOM 0 HB2 ARG A 59 8.243 8.496 -15.698 1.00 63.31 H new ATOM 0 HB3 ARG A 59 9.098 8.056 -14.233 1.00 63.31 H new ATOM 0 HG2 ARG A 59 7.285 8.621 -12.974 1.00 4.32 H new ATOM 0 HG3 ARG A 59 7.346 10.263 -13.585 1.00 4.32 H new ATOM 0 HD2 ARG A 59 6.098 7.968 -15.170 1.00 54.24 H new ATOM 0 HD3 ARG A 59 5.170 8.958 -14.061 1.00 54.24 H new ATOM 0 HE ARG A 59 6.273 9.802 -16.677 1.00 44.34 H new ATOM 0 HH11 ARG A 59 4.898 10.659 -13.566 1.00 3.32 H new ATOM 0 HH12 ARG A 59 4.317 12.236 -14.109 1.00 3.32 H new ATOM 0 HH21 ARG A 59 5.511 11.831 -17.370 1.00 4.31 H new ATOM 0 HH22 ARG A 59 4.660 12.894 -16.243 1.00 4.31 H new ATOM 975 N ASN A 60 10.955 11.430 -13.524 1.00 40.44 N ATOM 976 CA ASN A 60 11.763 11.743 -12.352 1.00 64.51 C ATOM 977 C ASN A 60 11.114 12.845 -11.520 1.00 24.14 C ATOM 978 O ASN A 60 10.940 13.970 -11.989 1.00 24.21 O ATOM 979 CB ASN A 60 13.155 12.197 -12.789 1.00 1.05 C ATOM 980 CG ASN A 60 14.094 10.999 -12.862 1.00 25.42 C ATOM 981 OD1 ASN A 60 15.233 11.072 -12.402 1.00 4.13 O ATOM 982 ND2 ASN A 60 13.679 9.893 -13.418 1.00 63.14 N ATOM 0 H ASN A 60 10.995 12.128 -14.266 1.00 40.44 H new ATOM 0 HA ASN A 60 11.840 10.843 -11.742 1.00 64.51 H new ATOM 0 HB2 ASN A 60 13.099 12.685 -13.762 1.00 1.05 H new ATOM 0 HB3 ASN A 60 13.544 12.933 -12.085 1.00 1.05 H new ATOM 0 HD21 ASN A 60 14.300 9.085 -13.472 1.00 63.14 H new ATOM 0 HD22 ASN A 60 12.734 9.837 -13.798 1.00 63.14 H new ATOM 989 N ILE A 61 10.769 12.518 -10.280 1.00 33.22 N ATOM 990 CA ILE A 61 10.154 13.496 -9.392 1.00 24.10 C ATOM 991 C ILE A 61 11.140 13.910 -8.307 1.00 31.32 C ATOM 992 O ILE A 61 11.678 13.067 -7.590 1.00 43.14 O ATOM 993 CB ILE A 61 8.898 12.908 -8.747 1.00 13.54 C ATOM 994 CG1 ILE A 61 8.263 11.894 -9.704 1.00 5.42 C ATOM 995 CG2 ILE A 61 7.902 14.033 -8.446 1.00 51.13 C ATOM 996 CD1 ILE A 61 7.790 12.606 -10.973 1.00 32.40 C ATOM 0 H ILE A 61 10.903 11.594 -9.870 1.00 33.22 H new ATOM 0 HA ILE A 61 9.877 14.372 -9.978 1.00 24.10 H new ATOM 0 HB ILE A 61 9.164 12.408 -7.816 1.00 13.54 H new ATOM 0 HG12 ILE A 61 8.985 11.119 -9.959 1.00 5.42 H new ATOM 0 HG13 ILE A 61 7.422 11.399 -9.219 1.00 5.42 H new ATOM 0 HG21 ILE A 61 7.007 13.613 -7.986 1.00 51.13 H new ATOM 0 HG22 ILE A 61 8.358 14.750 -7.764 1.00 51.13 H new ATOM 0 HG23 ILE A 61 7.631 14.537 -9.374 1.00 51.13 H new ATOM 0 HD11 ILE A 61 7.339 11.881 -11.651 1.00 32.40 H new ATOM 0 HD12 ILE A 61 7.053 13.365 -10.711 1.00 32.40 H new ATOM 0 HD13 ILE A 61 8.641 13.080 -11.463 1.00 32.40 H new ATOM 1008 N ILE A 62 11.376 15.213 -8.192 1.00 51.03 N ATOM 1009 CA ILE A 62 12.301 15.720 -7.188 1.00 14.23 C ATOM 1010 C ILE A 62 11.534 16.378 -6.046 1.00 42.23 C ATOM 1011 O ILE A 62 10.558 17.093 -6.272 1.00 41.40 O ATOM 1012 CB ILE A 62 13.271 16.722 -7.819 1.00 13.13 C ATOM 1013 CG1 ILE A 62 12.513 17.638 -8.784 1.00 10.04 C ATOM 1014 CG2 ILE A 62 14.354 15.960 -8.587 1.00 42.14 C ATOM 1015 CD1 ILE A 62 13.478 18.669 -9.375 1.00 1.23 C ATOM 0 H ILE A 62 10.944 15.929 -8.775 1.00 51.03 H new ATOM 0 HA ILE A 62 12.873 14.883 -6.788 1.00 14.23 H new ATOM 0 HB ILE A 62 13.730 17.325 -7.036 1.00 13.13 H new ATOM 0 HG12 ILE A 62 12.061 17.049 -9.582 1.00 10.04 H new ATOM 0 HG13 ILE A 62 11.701 18.143 -8.261 1.00 10.04 H new ATOM 0 HG21 ILE A 62 15.047 16.670 -9.038 1.00 42.14 H new ATOM 0 HG22 ILE A 62 14.896 15.309 -7.901 1.00 42.14 H new ATOM 0 HG23 ILE A 62 13.891 15.358 -9.369 1.00 42.14 H new ATOM 0 HD11 ILE A 62 12.938 19.321 -10.062 1.00 1.23 H new ATOM 0 HD12 ILE A 62 13.909 19.266 -8.572 1.00 1.23 H new ATOM 0 HD13 ILE A 62 14.275 18.155 -9.913 1.00 1.23 H new ATOM 1027 N VAL A 63 11.976 16.119 -4.821 1.00 12.21 N ATOM 1028 CA VAL A 63 11.319 16.677 -3.645 1.00 15.23 C ATOM 1029 C VAL A 63 11.959 17.998 -3.235 1.00 33.44 C ATOM 1030 O VAL A 63 13.166 18.069 -3.006 1.00 34.42 O ATOM 1031 CB VAL A 63 11.410 15.686 -2.485 1.00 52.40 C ATOM 1032 CG1 VAL A 63 10.904 16.352 -1.205 1.00 41.32 C ATOM 1033 CG2 VAL A 63 10.550 14.460 -2.797 1.00 44.14 C ATOM 0 H VAL A 63 12.783 15.529 -4.616 1.00 12.21 H new ATOM 0 HA VAL A 63 10.274 16.862 -3.894 1.00 15.23 H new ATOM 0 HB VAL A 63 12.447 15.379 -2.348 1.00 52.40 H new ATOM 0 HG11 VAL A 63 10.969 15.646 -0.377 1.00 41.32 H new ATOM 0 HG12 VAL A 63 11.515 17.227 -0.984 1.00 41.32 H new ATOM 0 HG13 VAL A 63 9.867 16.659 -1.340 1.00 41.32 H new ATOM 0 HG21 VAL A 63 10.613 13.752 -1.971 1.00 44.14 H new ATOM 0 HG22 VAL A 63 9.513 14.768 -2.933 1.00 44.14 H new ATOM 0 HG23 VAL A 63 10.910 13.986 -3.710 1.00 44.14 H new ATOM 1043 N THR A 64 11.140 19.040 -3.137 1.00 73.30 N ATOM 1044 CA THR A 64 11.637 20.353 -2.746 1.00 50.51 C ATOM 1045 C THR A 64 10.499 21.226 -2.228 1.00 2.10 C ATOM 1046 O THR A 64 9.397 21.218 -2.778 1.00 72.04 O ATOM 1047 CB THR A 64 12.307 21.038 -3.940 1.00 2.33 C ATOM 1048 OG1 THR A 64 13.055 22.156 -3.483 1.00 54.11 O ATOM 1049 CG2 THR A 64 11.238 21.507 -4.928 1.00 4.03 C ATOM 0 H THR A 64 10.138 19.002 -3.321 1.00 73.30 H new ATOM 0 HA THR A 64 12.368 20.219 -1.949 1.00 50.51 H new ATOM 0 HB THR A 64 12.973 20.333 -4.437 1.00 2.33 H new ATOM 0 HG1 THR A 64 13.354 22.686 -4.251 1.00 54.11 H new ATOM 0 HG21 THR A 64 11.716 21.994 -5.777 1.00 4.03 H new ATOM 0 HG22 THR A 64 10.664 20.649 -5.278 1.00 4.03 H new ATOM 0 HG23 THR A 64 10.570 22.213 -4.434 1.00 4.03 H new ATOM 1057 N ARG A 65 10.773 21.978 -1.166 1.00 52.13 N ATOM 1058 CA ARG A 65 9.765 22.854 -0.581 1.00 22.22 C ATOM 1059 C ARG A 65 9.966 24.289 -1.056 1.00 15.15 C ATOM 1060 O ARG A 65 10.935 24.948 -0.679 1.00 72.13 O ATOM 1061 CB ARG A 65 9.846 22.805 0.947 1.00 2.40 C ATOM 1062 CG ARG A 65 11.312 22.805 1.386 1.00 25.01 C ATOM 1063 CD ARG A 65 11.496 23.772 2.558 1.00 42.12 C ATOM 1064 NE ARG A 65 10.960 25.086 2.219 1.00 33.13 N ATOM 1065 CZ ARG A 65 11.084 26.115 3.051 1.00 31.22 C ATOM 1066 NH1 ARG A 65 11.696 25.960 4.194 1.00 63.22 N ATOM 1067 NH2 ARG A 65 10.594 27.280 2.726 1.00 2.24 N ATOM 0 H ARG A 65 11.678 21.998 -0.696 1.00 52.13 H new ATOM 0 HA ARG A 65 8.782 22.508 -0.901 1.00 22.22 H new ATOM 0 HB2 ARG A 65 9.328 23.663 1.376 1.00 2.40 H new ATOM 0 HB3 ARG A 65 9.345 21.911 1.319 1.00 2.40 H new ATOM 0 HG2 ARG A 65 11.614 21.800 1.680 1.00 25.01 H new ATOM 0 HG3 ARG A 65 11.951 23.100 0.554 1.00 25.01 H new ATOM 0 HD2 ARG A 65 10.991 23.383 3.442 1.00 42.12 H new ATOM 0 HD3 ARG A 65 12.554 23.856 2.806 1.00 42.12 H new ATOM 0 HE ARG A 65 10.482 25.217 1.328 1.00 33.13 H new ATOM 0 HH11 ARG A 65 12.079 25.049 4.448 1.00 63.22 H new ATOM 0 HH12 ARG A 65 11.791 26.750 4.833 1.00 63.22 H new ATOM 0 HH21 ARG A 65 10.116 27.401 1.833 1.00 2.24 H new ATOM 0 HH22 ARG A 65 10.689 28.070 3.365 1.00 2.24 H new ATOM 1081 N ASN A 66 9.045 24.766 -1.886 1.00 41.24 N ATOM 1082 CA ASN A 66 9.133 26.125 -2.406 1.00 61.20 C ATOM 1083 C ASN A 66 7.930 26.443 -3.288 1.00 51.20 C ATOM 1084 O ASN A 66 7.716 25.803 -4.318 1.00 11.04 O ATOM 1085 CB ASN A 66 10.418 26.294 -3.217 1.00 73.41 C ATOM 1086 CG ASN A 66 11.522 26.857 -2.330 1.00 63.41 C ATOM 1087 OD1 ASN A 66 12.539 26.104 -2.012 1.00 61.50 O flip ATOM 1088 ND2 ASN A 66 11.457 28.015 -1.916 1.00 75.53 N flip ATOM 0 H ASN A 66 8.236 24.237 -2.211 1.00 41.24 H new ATOM 0 HA ASN A 66 9.143 26.814 -1.561 1.00 61.20 H new ATOM 0 HB2 ASN A 66 10.726 25.334 -3.630 1.00 73.41 H new ATOM 0 HB3 ASN A 66 10.241 26.962 -4.060 1.00 73.41 H new ATOM 0 HD21 ASN A 66 10.661 28.602 -2.166 1.00 75.53 H new ATOM 0 HD22 ASN A 66 12.199 28.387 -1.323 1.00 75.53 H new ATOM 1095 N GLU A 67 7.151 27.437 -2.877 1.00 5.40 N ATOM 1096 CA GLU A 67 5.973 27.836 -3.638 1.00 3.45 C ATOM 1097 C GLU A 67 6.381 28.585 -4.903 1.00 23.31 C ATOM 1098 O GLU A 67 6.850 29.721 -4.837 1.00 43.01 O ATOM 1099 CB GLU A 67 5.079 28.737 -2.785 1.00 2.41 C ATOM 1100 CG GLU A 67 5.052 28.221 -1.346 1.00 23.04 C ATOM 1101 CD GLU A 67 3.938 28.914 -0.569 1.00 4.22 C ATOM 1102 OE1 GLU A 67 2.805 28.857 -1.019 1.00 42.24 O ATOM 1103 OE2 GLU A 67 4.234 29.493 0.463 1.00 24.14 O ATOM 0 H GLU A 67 7.312 27.978 -2.027 1.00 5.40 H new ATOM 0 HA GLU A 67 5.425 26.936 -3.918 1.00 3.45 H new ATOM 0 HB2 GLU A 67 5.451 29.761 -2.807 1.00 2.41 H new ATOM 0 HB3 GLU A 67 4.069 28.756 -3.194 1.00 2.41 H new ATOM 0 HG2 GLU A 67 4.895 27.142 -1.340 1.00 23.04 H new ATOM 0 HG3 GLU A 67 6.013 28.406 -0.865 1.00 23.04 H new ATOM 1110 N GLY A 68 6.196 27.946 -6.052 1.00 12.23 N ATOM 1111 CA GLY A 68 6.547 28.570 -7.322 1.00 34.11 C ATOM 1112 C GLY A 68 7.789 27.927 -7.928 1.00 11.11 C ATOM 1113 O GLY A 68 8.294 28.378 -8.955 1.00 21.22 O ATOM 0 H GLY A 68 5.809 27.006 -6.131 1.00 12.23 H new ATOM 0 HA2 GLY A 68 5.712 28.480 -8.017 1.00 34.11 H new ATOM 0 HA3 GLY A 68 6.723 29.635 -7.170 1.00 34.11 H new ATOM 1117 N TYR A 69 8.277 26.871 -7.287 1.00 1.42 N ATOM 1118 CA TYR A 69 9.462 26.177 -7.778 1.00 10.35 C ATOM 1119 C TYR A 69 9.138 25.400 -9.049 1.00 32.43 C ATOM 1120 O TYR A 69 8.056 24.826 -9.180 1.00 64.52 O ATOM 1121 CB TYR A 69 9.989 25.218 -6.710 1.00 61.15 C ATOM 1122 CG TYR A 69 11.494 25.137 -6.808 1.00 42.42 C ATOM 1123 CD1 TYR A 69 12.283 26.204 -6.360 1.00 11.23 C ATOM 1124 CD2 TYR A 69 12.100 23.997 -7.348 1.00 64.30 C ATOM 1125 CE1 TYR A 69 13.678 26.130 -6.452 1.00 12.41 C ATOM 1126 CE2 TYR A 69 13.495 23.923 -7.440 1.00 32.40 C ATOM 1127 CZ TYR A 69 14.284 24.989 -6.992 1.00 75.12 C ATOM 1128 OH TYR A 69 15.659 24.916 -7.083 1.00 11.52 O ATOM 0 H TYR A 69 7.876 26.480 -6.435 1.00 1.42 H new ATOM 0 HA TYR A 69 10.227 26.920 -8.004 1.00 10.35 H new ATOM 0 HB2 TYR A 69 9.696 25.564 -5.719 1.00 61.15 H new ATOM 0 HB3 TYR A 69 9.551 24.229 -6.845 1.00 61.15 H new ATOM 0 HD1 TYR A 69 11.815 27.084 -5.944 1.00 11.23 H new ATOM 0 HD2 TYR A 69 11.492 23.174 -7.694 1.00 64.30 H new ATOM 0 HE1 TYR A 69 14.287 26.953 -6.107 1.00 12.41 H new ATOM 0 HE2 TYR A 69 13.963 23.043 -7.857 1.00 32.40 H new ATOM 0 HH TYR A 69 15.915 24.057 -7.480 1.00 11.52 H new ATOM 1138 N HIS A 70 10.083 25.387 -9.983 1.00 51.24 N ATOM 1139 CA HIS A 70 9.892 24.679 -11.243 1.00 11.43 C ATOM 1140 C HIS A 70 11.234 24.235 -11.814 1.00 5.11 C ATOM 1141 O HIS A 70 12.227 24.956 -11.722 1.00 2.13 O ATOM 1142 CB HIS A 70 9.183 25.587 -12.250 1.00 10.22 C ATOM 1143 CG HIS A 70 9.961 26.865 -12.406 1.00 71.24 C ATOM 1144 ND1 HIS A 70 11.112 27.160 -13.093 1.00 23.00 N flip ATOM 1145 CD2 HIS A 70 9.566 28.049 -11.803 1.00 43.30 C flip ATOM 1146 CE1 HIS A 70 11.428 28.504 -12.921 1.00 42.05 C flip ATOM 1147 NE2 HIS A 70 10.465 28.993 -12.135 1.00 23.30 N flip ATOM 0 H HIS A 70 10.984 25.856 -9.892 1.00 51.24 H new ATOM 0 HA HIS A 70 9.279 23.798 -11.055 1.00 11.43 H new ATOM 0 HB2 HIS A 70 9.095 25.082 -13.212 1.00 10.22 H new ATOM 0 HB3 HIS A 70 8.170 25.804 -11.910 1.00 10.22 H new ATOM 0 HD2 HIS A 70 8.695 28.188 -11.180 1.00 43.30 H new ATOM 0 HE1 HIS A 70 12.271 29.038 -13.334 1.00 42.05 H new ATOM 0 HE2 HIS A 70 10.417 29.963 -11.825 1.00 23.30 H new ATOM 1156 N VAL A 71 11.257 23.044 -12.402 1.00 12.20 N ATOM 1157 CA VAL A 71 12.485 22.515 -12.983 1.00 2.12 C ATOM 1158 C VAL A 71 12.199 21.830 -14.315 1.00 52.53 C ATOM 1159 O VAL A 71 11.554 20.783 -14.359 1.00 4.34 O ATOM 1160 CB VAL A 71 13.129 21.514 -12.022 1.00 62.13 C ATOM 1161 CG1 VAL A 71 14.534 21.165 -12.515 1.00 33.15 C ATOM 1162 CG2 VAL A 71 13.220 22.133 -10.625 1.00 42.34 C ATOM 0 H VAL A 71 10.446 22.431 -12.489 1.00 12.20 H new ATOM 0 HA VAL A 71 13.169 23.346 -13.155 1.00 2.12 H new ATOM 0 HB VAL A 71 12.522 20.609 -11.981 1.00 62.13 H new ATOM 0 HG11 VAL A 71 14.993 20.452 -11.830 1.00 33.15 H new ATOM 0 HG12 VAL A 71 14.471 20.724 -13.510 1.00 33.15 H new ATOM 0 HG13 VAL A 71 15.140 22.070 -12.556 1.00 33.15 H new ATOM 0 HG21 VAL A 71 13.679 21.420 -9.940 1.00 42.34 H new ATOM 0 HG22 VAL A 71 13.826 23.038 -10.667 1.00 42.34 H new ATOM 0 HG23 VAL A 71 12.220 22.383 -10.272 1.00 42.34 H new ATOM 1172 N GLU A 72 12.683 22.427 -15.400 1.00 71.02 N ATOM 1173 CA GLU A 72 12.472 21.862 -16.728 1.00 25.34 C ATOM 1174 C GLU A 72 13.201 20.529 -16.862 1.00 14.32 C ATOM 1175 O GLU A 72 14.417 20.455 -16.686 1.00 63.30 O ATOM 1176 CB GLU A 72 12.978 22.832 -17.797 1.00 2.01 C ATOM 1177 CG GLU A 72 11.914 23.897 -18.065 1.00 34.43 C ATOM 1178 CD GLU A 72 12.484 24.989 -18.964 1.00 33.22 C ATOM 1179 OE1 GLU A 72 13.007 24.653 -20.013 1.00 3.52 O ATOM 1180 OE2 GLU A 72 12.390 26.146 -18.589 1.00 42.31 O ATOM 0 H GLU A 72 13.219 23.294 -15.387 1.00 71.02 H new ATOM 0 HA GLU A 72 11.404 21.697 -16.867 1.00 25.34 H new ATOM 0 HB2 GLU A 72 13.904 23.303 -17.467 1.00 2.01 H new ATOM 0 HB3 GLU A 72 13.206 22.291 -18.716 1.00 2.01 H new ATOM 0 HG2 GLU A 72 11.044 23.442 -18.538 1.00 34.43 H new ATOM 0 HG3 GLU A 72 11.575 24.330 -17.124 1.00 34.43 H new ATOM 1187 N GLY A 73 12.450 19.479 -17.172 1.00 14.13 N ATOM 1188 CA GLY A 73 13.035 18.152 -17.324 1.00 45.11 C ATOM 1189 C GLY A 73 12.694 17.273 -16.127 1.00 54.22 C ATOM 1190 O GLY A 73 12.833 16.051 -16.180 1.00 73.25 O ATOM 0 H GLY A 73 11.442 19.519 -17.322 1.00 14.13 H new ATOM 0 HA2 GLY A 73 12.665 17.689 -18.239 1.00 45.11 H new ATOM 0 HA3 GLY A 73 14.117 18.235 -17.424 1.00 45.11 H new ATOM 1194 N CYS A 74 12.242 17.905 -15.049 1.00 11.01 N ATOM 1195 CA CYS A 74 11.877 17.176 -13.842 1.00 1.54 C ATOM 1196 C CYS A 74 10.662 17.820 -13.182 1.00 22.50 C ATOM 1197 O CYS A 74 10.476 19.035 -13.256 1.00 24.12 O ATOM 1198 CB CYS A 74 13.050 17.167 -12.861 1.00 23.51 C ATOM 1199 SG CYS A 74 13.356 15.472 -12.304 1.00 32.33 S ATOM 0 H CYS A 74 12.120 18.916 -14.987 1.00 11.01 H new ATOM 0 HA CYS A 74 11.630 16.151 -14.117 1.00 1.54 H new ATOM 0 HB2 CYS A 74 13.942 17.571 -13.340 1.00 23.51 H new ATOM 0 HB3 CYS A 74 12.829 17.808 -12.007 1.00 23.51 H new ATOM 0 HG CYS A 74 12.255 14.784 -12.381 1.00 32.33 H new ATOM 1205 N GLU A 75 9.838 16.999 -12.539 1.00 54.32 N ATOM 1206 CA GLU A 75 8.646 17.506 -11.871 1.00 52.35 C ATOM 1207 C GLU A 75 8.971 17.913 -10.438 1.00 73.43 C ATOM 1208 O GLU A 75 9.932 17.421 -9.845 1.00 31.34 O ATOM 1209 CB GLU A 75 7.553 16.435 -11.869 1.00 25.23 C ATOM 1210 CG GLU A 75 6.226 17.056 -12.313 1.00 54.03 C ATOM 1211 CD GLU A 75 6.228 17.267 -13.823 1.00 53.51 C ATOM 1212 OE1 GLU A 75 6.608 16.348 -14.529 1.00 32.24 O ATOM 1213 OE2 GLU A 75 5.848 18.345 -14.251 1.00 4.01 O ATOM 0 H GLU A 75 9.972 15.990 -12.467 1.00 54.32 H new ATOM 0 HA GLU A 75 8.290 18.382 -12.413 1.00 52.35 H new ATOM 0 HB2 GLU A 75 7.827 15.620 -12.539 1.00 25.23 H new ATOM 0 HB3 GLU A 75 7.450 16.007 -10.872 1.00 25.23 H new ATOM 0 HG2 GLU A 75 5.398 16.406 -12.030 1.00 54.03 H new ATOM 0 HG3 GLU A 75 6.072 18.008 -11.805 1.00 54.03 H new ATOM 1220 N VAL A 76 8.170 18.821 -9.889 1.00 73.35 N ATOM 1221 CA VAL A 76 8.389 19.292 -8.527 1.00 45.43 C ATOM 1222 C VAL A 76 7.456 18.587 -7.547 1.00 10.13 C ATOM 1223 O VAL A 76 6.255 18.473 -7.789 1.00 2.31 O ATOM 1224 CB VAL A 76 8.155 20.802 -8.457 1.00 11.04 C ATOM 1225 CG1 VAL A 76 8.478 21.312 -7.050 1.00 73.22 C ATOM 1226 CG2 VAL A 76 9.060 21.504 -9.471 1.00 0.02 C ATOM 0 H VAL A 76 7.370 19.242 -10.362 1.00 73.35 H new ATOM 0 HA VAL A 76 9.418 19.065 -8.250 1.00 45.43 H new ATOM 0 HB VAL A 76 7.111 21.015 -8.687 1.00 11.04 H new ATOM 0 HG11 VAL A 76 8.310 22.388 -7.005 1.00 73.22 H new ATOM 0 HG12 VAL A 76 7.834 20.814 -6.326 1.00 73.22 H new ATOM 0 HG13 VAL A 76 9.521 21.098 -6.816 1.00 73.22 H new ATOM 0 HG21 VAL A 76 8.895 22.580 -9.422 1.00 0.02 H new ATOM 0 HG22 VAL A 76 10.103 21.286 -9.240 1.00 0.02 H new ATOM 0 HG23 VAL A 76 8.828 21.146 -10.474 1.00 0.02 H new ATOM 1236 N ALA A 77 8.019 18.123 -6.436 1.00 55.42 N ATOM 1237 CA ALA A 77 7.232 17.439 -5.416 1.00 34.53 C ATOM 1238 C ALA A 77 7.379 18.154 -4.078 1.00 43.14 C ATOM 1239 O ALA A 77 8.333 18.901 -3.867 1.00 21.34 O ATOM 1240 CB ALA A 77 7.696 15.988 -5.279 1.00 5.32 C ATOM 0 H ALA A 77 9.012 18.207 -6.220 1.00 55.42 H new ATOM 0 HA ALA A 77 6.184 17.451 -5.715 1.00 34.53 H new ATOM 0 HB1 ALA A 77 7.102 15.487 -4.515 1.00 5.32 H new ATOM 0 HB2 ALA A 77 7.570 15.474 -6.232 1.00 5.32 H new ATOM 0 HB3 ALA A 77 8.747 15.968 -4.992 1.00 5.32 H new ATOM 1246 N HIS A 78 6.429 17.928 -3.179 1.00 65.21 N ATOM 1247 CA HIS A 78 6.472 18.569 -1.870 1.00 65.41 C ATOM 1248 C HIS A 78 7.334 17.767 -0.900 1.00 60.24 C ATOM 1249 O HIS A 78 7.963 16.780 -1.282 1.00 53.11 O ATOM 1250 CB HIS A 78 5.053 18.710 -1.307 1.00 43.03 C ATOM 1251 CG HIS A 78 4.736 20.168 -1.103 1.00 25.11 C ATOM 1252 ND1 HIS A 78 4.254 20.659 0.100 1.00 42.33 N ATOM 1253 CD2 HIS A 78 4.831 21.252 -1.940 1.00 12.11 C ATOM 1254 CE1 HIS A 78 4.080 21.986 -0.045 1.00 73.20 C ATOM 1255 NE2 HIS A 78 4.417 22.399 -1.270 1.00 22.05 N ATOM 0 H HIS A 78 5.629 17.314 -3.329 1.00 65.21 H new ATOM 0 HA HIS A 78 6.914 19.558 -1.989 1.00 65.41 H new ATOM 0 HB2 HIS A 78 4.333 18.263 -1.992 1.00 43.03 H new ATOM 0 HB3 HIS A 78 4.970 18.173 -0.362 1.00 43.03 H new ATOM 0 HD2 HIS A 78 5.175 21.219 -2.963 1.00 12.11 H new ATOM 0 HE1 HIS A 78 3.713 22.637 0.734 1.00 73.20 H new ATOM 0 HE2 HIS A 78 4.379 23.351 -1.635 1.00 22.05 H new ATOM 1264 N SER A 79 7.361 18.203 0.355 1.00 74.43 N ATOM 1265 CA SER A 79 8.152 17.527 1.377 1.00 1.00 C ATOM 1266 C SER A 79 7.728 16.069 1.518 1.00 5.20 C ATOM 1267 O SER A 79 6.891 15.577 0.760 1.00 40.24 O ATOM 1268 CB SER A 79 7.983 18.240 2.720 1.00 63.33 C ATOM 1269 OG SER A 79 6.609 18.231 3.085 1.00 70.23 O ATOM 0 H SER A 79 6.846 19.018 0.688 1.00 74.43 H new ATOM 0 HA SER A 79 9.199 17.557 1.074 1.00 1.00 H new ATOM 0 HB2 SER A 79 8.578 17.743 3.486 1.00 63.33 H new ATOM 0 HB3 SER A 79 8.346 19.265 2.649 1.00 63.33 H new ATOM 0 HG SER A 79 6.442 18.933 3.749 1.00 70.23 H new ATOM 1275 N VAL A 80 8.313 15.383 2.495 1.00 44.52 N ATOM 1276 CA VAL A 80 7.994 13.980 2.732 1.00 5.34 C ATOM 1277 C VAL A 80 6.505 13.809 3.010 1.00 2.53 C ATOM 1278 O VAL A 80 5.954 12.720 2.850 1.00 33.34 O ATOM 1279 CB VAL A 80 8.806 13.454 3.919 1.00 64.42 C ATOM 1280 CG1 VAL A 80 8.483 14.278 5.166 1.00 41.30 C ATOM 1281 CG2 VAL A 80 8.451 11.988 4.174 1.00 10.31 C ATOM 0 H VAL A 80 9.007 15.774 3.132 1.00 44.52 H new ATOM 0 HA VAL A 80 8.250 13.411 1.838 1.00 5.34 H new ATOM 0 HB VAL A 80 9.869 13.537 3.693 1.00 64.42 H new ATOM 0 HG11 VAL A 80 9.062 13.903 6.010 1.00 41.30 H new ATOM 0 HG12 VAL A 80 8.737 15.323 4.988 1.00 41.30 H new ATOM 0 HG13 VAL A 80 7.419 14.197 5.390 1.00 41.30 H new ATOM 0 HG21 VAL A 80 9.030 11.615 5.019 1.00 10.31 H new ATOM 0 HG22 VAL A 80 7.387 11.905 4.398 1.00 10.31 H new ATOM 0 HG23 VAL A 80 8.683 11.398 3.287 1.00 10.31 H new ATOM 1291 N GLU A 81 5.858 14.892 3.424 1.00 1.31 N ATOM 1292 CA GLU A 81 4.431 14.849 3.717 1.00 54.43 C ATOM 1293 C GLU A 81 3.644 14.408 2.487 1.00 35.34 C ATOM 1294 O GLU A 81 2.797 13.519 2.565 1.00 63.33 O ATOM 1295 CB GLU A 81 3.950 16.229 4.162 1.00 53.00 C ATOM 1296 CG GLU A 81 4.841 16.740 5.295 1.00 61.23 C ATOM 1297 CD GLU A 81 4.258 18.024 5.877 1.00 21.43 C ATOM 1298 OE1 GLU A 81 4.239 19.016 5.168 1.00 60.44 O ATOM 1299 OE2 GLU A 81 3.839 17.995 7.022 1.00 44.23 O ATOM 0 H GLU A 81 6.294 15.803 3.563 1.00 1.31 H new ATOM 0 HA GLU A 81 4.265 14.129 4.518 1.00 54.43 H new ATOM 0 HB2 GLU A 81 3.977 16.923 3.322 1.00 53.00 H new ATOM 0 HB3 GLU A 81 2.914 16.174 4.497 1.00 53.00 H new ATOM 0 HG2 GLU A 81 4.923 15.982 6.074 1.00 61.23 H new ATOM 0 HG3 GLU A 81 5.848 16.924 4.922 1.00 61.23 H new ATOM 1306 N GLU A 82 3.930 15.039 1.352 1.00 53.01 N ATOM 1307 CA GLU A 82 3.242 14.708 0.109 1.00 42.22 C ATOM 1308 C GLU A 82 3.727 13.365 -0.432 1.00 44.41 C ATOM 1309 O GLU A 82 2.925 12.519 -0.828 1.00 13.31 O ATOM 1310 CB GLU A 82 3.493 15.803 -0.930 1.00 21.51 C ATOM 1311 CG GLU A 82 2.695 15.496 -2.199 1.00 3.52 C ATOM 1312 CD GLU A 82 1.207 15.715 -1.945 1.00 10.24 C ATOM 1313 OE1 GLU A 82 0.551 14.771 -1.535 1.00 53.23 O ATOM 1314 OE2 GLU A 82 0.744 16.822 -2.164 1.00 35.41 O ATOM 0 H GLU A 82 4.629 15.777 1.267 1.00 53.01 H new ATOM 0 HA GLU A 82 2.173 14.637 0.312 1.00 42.22 H new ATOM 0 HB2 GLU A 82 3.200 16.773 -0.529 1.00 21.51 H new ATOM 0 HB3 GLU A 82 4.556 15.862 -1.162 1.00 21.51 H new ATOM 0 HG2 GLU A 82 3.031 16.137 -3.014 1.00 3.52 H new ATOM 0 HG3 GLU A 82 2.872 14.466 -2.509 1.00 3.52 H new ATOM 1321 N VAL A 83 5.042 13.177 -0.444 1.00 60.14 N ATOM 1322 CA VAL A 83 5.622 11.934 -0.938 1.00 11.21 C ATOM 1323 C VAL A 83 5.019 10.734 -0.210 1.00 3.21 C ATOM 1324 O VAL A 83 4.753 9.696 -0.817 1.00 54.42 O ATOM 1325 CB VAL A 83 7.138 11.953 -0.729 1.00 62.42 C ATOM 1326 CG1 VAL A 83 7.769 10.746 -1.426 1.00 15.23 C ATOM 1327 CG2 VAL A 83 7.715 13.241 -1.320 1.00 31.22 C ATOM 0 H VAL A 83 5.722 13.864 -0.120 1.00 60.14 H new ATOM 0 HA VAL A 83 5.401 11.845 -2.002 1.00 11.21 H new ATOM 0 HB VAL A 83 7.357 11.909 0.338 1.00 62.42 H new ATOM 0 HG11 VAL A 83 8.848 10.762 -1.275 1.00 15.23 H new ATOM 0 HG12 VAL A 83 7.358 9.828 -1.007 1.00 15.23 H new ATOM 0 HG13 VAL A 83 7.551 10.787 -2.493 1.00 15.23 H new ATOM 0 HG21 VAL A 83 8.795 13.257 -1.172 1.00 31.22 H new ATOM 0 HG22 VAL A 83 7.494 13.283 -2.386 1.00 31.22 H new ATOM 0 HG23 VAL A 83 7.268 14.102 -0.823 1.00 31.22 H new ATOM 1337 N PHE A 84 4.811 10.886 1.093 1.00 30.22 N ATOM 1338 CA PHE A 84 4.245 9.812 1.902 1.00 51.02 C ATOM 1339 C PHE A 84 2.952 9.282 1.277 1.00 63.42 C ATOM 1340 O PHE A 84 2.817 8.083 1.035 1.00 13.35 O ATOM 1341 CB PHE A 84 3.980 10.326 3.328 1.00 23.34 C ATOM 1342 CG PHE A 84 2.631 9.850 3.819 1.00 70.22 C ATOM 1343 CD1 PHE A 84 2.444 8.506 4.161 1.00 31.33 C ATOM 1344 CD2 PHE A 84 1.568 10.754 3.928 1.00 22.44 C ATOM 1345 CE1 PHE A 84 1.194 8.066 4.613 1.00 33.14 C ATOM 1346 CE2 PHE A 84 0.318 10.315 4.380 1.00 71.33 C ATOM 1347 CZ PHE A 84 0.131 8.970 4.722 1.00 44.14 C ATOM 0 H PHE A 84 5.025 11.739 1.610 1.00 30.22 H new ATOM 0 HA PHE A 84 4.959 8.990 1.943 1.00 51.02 H new ATOM 0 HB2 PHE A 84 4.763 9.974 3.999 1.00 23.34 H new ATOM 0 HB3 PHE A 84 4.015 11.415 3.341 1.00 23.34 H new ATOM 0 HD1 PHE A 84 3.264 7.808 4.076 1.00 31.33 H new ATOM 0 HD2 PHE A 84 1.712 11.791 3.663 1.00 22.44 H new ATOM 0 HE1 PHE A 84 1.050 7.029 4.878 1.00 33.14 H new ATOM 0 HE2 PHE A 84 -0.502 11.013 4.465 1.00 71.33 H new ATOM 0 HZ PHE A 84 -0.833 8.630 5.070 1.00 44.14 H new ATOM 1357 N GLU A 85 2.004 10.181 1.029 1.00 54.21 N ATOM 1358 CA GLU A 85 0.725 9.788 0.443 1.00 54.24 C ATOM 1359 C GLU A 85 0.886 9.424 -1.030 1.00 5.31 C ATOM 1360 O GLU A 85 0.289 8.460 -1.508 1.00 35.30 O ATOM 1361 CB GLU A 85 -0.285 10.929 0.579 1.00 15.14 C ATOM 1362 CG GLU A 85 0.335 12.227 0.058 1.00 70.11 C ATOM 1363 CD GLU A 85 -0.640 13.384 0.244 1.00 11.42 C ATOM 1364 OE1 GLU A 85 -0.647 13.961 1.319 1.00 0.31 O ATOM 1365 OE2 GLU A 85 -1.366 13.677 -0.692 1.00 30.55 O ATOM 0 H GLU A 85 2.095 11.178 1.222 1.00 54.21 H new ATOM 0 HA GLU A 85 0.363 8.911 0.980 1.00 54.24 H new ATOM 0 HB2 GLU A 85 -1.190 10.696 0.018 1.00 15.14 H new ATOM 0 HB3 GLU A 85 -0.578 11.047 1.622 1.00 15.14 H new ATOM 0 HG2 GLU A 85 1.264 12.435 0.590 1.00 70.11 H new ATOM 0 HG3 GLU A 85 0.588 12.121 -0.997 1.00 70.11 H new ATOM 1372 N LEU A 86 1.687 10.204 -1.747 1.00 52.31 N ATOM 1373 CA LEU A 86 1.909 9.954 -3.166 1.00 3.55 C ATOM 1374 C LEU A 86 2.239 8.486 -3.408 1.00 43.42 C ATOM 1375 O LEU A 86 1.949 7.940 -4.474 1.00 62.25 O ATOM 1376 CB LEU A 86 3.057 10.832 -3.678 1.00 43.40 C ATOM 1377 CG LEU A 86 2.570 11.686 -4.852 1.00 60.30 C ATOM 1378 CD1 LEU A 86 2.186 10.778 -6.025 1.00 14.20 C ATOM 1379 CD2 LEU A 86 1.349 12.497 -4.413 1.00 61.43 C ATOM 0 H LEU A 86 2.190 11.009 -1.373 1.00 52.31 H new ATOM 0 HA LEU A 86 0.995 10.200 -3.706 1.00 3.55 H new ATOM 0 HB2 LEU A 86 3.422 11.474 -2.876 1.00 43.40 H new ATOM 0 HB3 LEU A 86 3.893 10.207 -3.992 1.00 43.40 H new ATOM 0 HG LEU A 86 3.366 12.362 -5.166 1.00 60.30 H new ATOM 0 HD11 LEU A 86 1.840 11.388 -6.859 1.00 14.20 H new ATOM 0 HD12 LEU A 86 3.055 10.198 -6.336 1.00 14.20 H new ATOM 0 HD13 LEU A 86 1.390 10.101 -5.716 1.00 14.20 H new ATOM 0 HD21 LEU A 86 0.999 13.107 -5.246 1.00 61.43 H new ATOM 0 HD22 LEU A 86 0.555 11.819 -4.101 1.00 61.43 H new ATOM 0 HD23 LEU A 86 1.622 13.144 -3.579 1.00 61.43 H new ATOM 1391 N CYS A 87 2.851 7.851 -2.416 1.00 21.21 N ATOM 1392 CA CYS A 87 3.219 6.446 -2.535 1.00 54.31 C ATOM 1393 C CYS A 87 1.983 5.581 -2.768 1.00 74.01 C ATOM 1394 O CYS A 87 2.019 4.631 -3.549 1.00 5.10 O ATOM 1395 CB CYS A 87 3.934 5.987 -1.263 1.00 34.25 C ATOM 1396 SG CYS A 87 5.668 6.499 -1.330 1.00 34.33 S ATOM 0 H CYS A 87 3.101 8.283 -1.526 1.00 21.21 H new ATOM 0 HA CYS A 87 3.887 6.337 -3.389 1.00 54.31 H new ATOM 0 HB2 CYS A 87 3.450 6.416 -0.386 1.00 34.25 H new ATOM 0 HB3 CYS A 87 3.867 4.903 -1.166 1.00 34.25 H new ATOM 0 HG CYS A 87 5.747 7.786 -1.161 1.00 34.33 H new ATOM 1402 N LYS A 88 0.893 5.916 -2.086 1.00 21.23 N ATOM 1403 CA LYS A 88 -0.347 5.160 -2.227 1.00 72.34 C ATOM 1404 C LYS A 88 -0.974 5.405 -3.596 1.00 61.52 C ATOM 1405 O LYS A 88 -1.975 4.782 -3.951 1.00 11.55 O ATOM 1406 CB LYS A 88 -1.333 5.566 -1.130 1.00 50.22 C ATOM 1407 CG LYS A 88 -2.133 6.787 -1.587 1.00 63.05 C ATOM 1408 CD LYS A 88 -2.561 7.600 -0.363 1.00 24.13 C ATOM 1409 CE LYS A 88 -3.349 6.705 0.596 1.00 21.11 C ATOM 1410 NZ LYS A 88 -4.623 6.283 -0.051 1.00 52.12 N ATOM 0 H LYS A 88 0.842 6.700 -1.435 1.00 21.23 H new ATOM 0 HA LYS A 88 -0.116 4.099 -2.133 1.00 72.34 H new ATOM 0 HB2 LYS A 88 -2.007 4.739 -0.908 1.00 50.22 H new ATOM 0 HB3 LYS A 88 -0.795 5.794 -0.210 1.00 50.22 H new ATOM 0 HG2 LYS A 88 -1.529 7.403 -2.254 1.00 63.05 H new ATOM 0 HG3 LYS A 88 -3.010 6.471 -2.152 1.00 63.05 H new ATOM 0 HD2 LYS A 88 -1.684 8.007 0.141 1.00 24.13 H new ATOM 0 HD3 LYS A 88 -3.173 8.447 -0.672 1.00 24.13 H new ATOM 0 HE2 LYS A 88 -2.757 5.830 0.863 1.00 21.11 H new ATOM 0 HE3 LYS A 88 -3.559 7.242 1.521 1.00 21.11 H new ATOM 0 HZ1 LYS A 88 -5.253 5.866 0.663 1.00 52.12 H new ATOM 0 HZ2 LYS A 88 -5.085 7.110 -0.480 1.00 52.12 H new ATOM 0 HZ3 LYS A 88 -4.421 5.578 -0.789 1.00 52.12 H new ATOM 1424 N ASN A 89 -0.377 6.313 -4.361 1.00 13.11 N ATOM 1425 CA ASN A 89 -0.884 6.629 -5.692 1.00 13.04 C ATOM 1426 C ASN A 89 -0.529 5.519 -6.677 1.00 12.25 C ATOM 1427 O ASN A 89 -1.208 5.332 -7.686 1.00 51.43 O ATOM 1428 CB ASN A 89 -0.290 7.953 -6.177 1.00 21.13 C ATOM 1429 CG ASN A 89 -1.246 8.625 -7.157 1.00 52.22 C ATOM 1430 OD1 ASN A 89 -1.304 8.245 -8.327 1.00 31.34 O ATOM 1431 ND2 ASN A 89 -2.002 9.607 -6.749 1.00 43.33 N ATOM 0 H ASN A 89 0.452 6.840 -4.085 1.00 13.11 H new ATOM 0 HA ASN A 89 -1.969 6.717 -5.636 1.00 13.04 H new ATOM 0 HB2 ASN A 89 -0.105 8.611 -5.328 1.00 21.13 H new ATOM 0 HB3 ASN A 89 0.672 7.775 -6.658 1.00 21.13 H new ATOM 0 HD21 ASN A 89 -2.643 10.062 -7.400 1.00 43.33 H new ATOM 0 HD22 ASN A 89 -1.952 9.920 -5.780 1.00 43.33 H new ATOM 1438 N GLU A 90 0.540 4.788 -6.377 1.00 43.13 N ATOM 1439 CA GLU A 90 0.978 3.701 -7.245 1.00 34.00 C ATOM 1440 C GLU A 90 1.387 2.486 -6.417 1.00 70.55 C ATOM 1441 O GLU A 90 1.994 2.622 -5.355 1.00 21.25 O ATOM 1442 CB GLU A 90 2.161 4.160 -8.101 1.00 62.21 C ATOM 1443 CG GLU A 90 1.643 4.817 -9.382 1.00 43.12 C ATOM 1444 CD GLU A 90 1.217 3.747 -10.381 1.00 34.01 C ATOM 1445 OE1 GLU A 90 1.479 2.584 -10.121 1.00 2.24 O ATOM 1446 OE2 GLU A 90 0.635 4.106 -11.392 1.00 11.04 O ATOM 0 H GLU A 90 1.115 4.927 -5.546 1.00 43.13 H new ATOM 0 HA GLU A 90 0.148 3.422 -7.894 1.00 34.00 H new ATOM 0 HB2 GLU A 90 2.776 4.865 -7.542 1.00 62.21 H new ATOM 0 HB3 GLU A 90 2.796 3.309 -8.348 1.00 62.21 H new ATOM 0 HG2 GLU A 90 0.799 5.468 -9.151 1.00 43.12 H new ATOM 0 HG3 GLU A 90 2.420 5.445 -9.818 1.00 43.12 H new ATOM 1453 N GLU A 91 1.051 1.298 -6.911 1.00 13.31 N ATOM 1454 CA GLU A 91 1.390 0.067 -6.208 1.00 62.23 C ATOM 1455 C GLU A 91 2.843 0.099 -5.745 1.00 24.43 C ATOM 1456 O GLU A 91 3.128 0.393 -4.584 1.00 14.42 O ATOM 1457 CB GLU A 91 1.170 -1.138 -7.125 1.00 72.43 C ATOM 1458 CG GLU A 91 1.392 -0.719 -8.580 1.00 21.21 C ATOM 1459 CD GLU A 91 0.057 -0.385 -9.236 1.00 1.43 C ATOM 1460 OE1 GLU A 91 -0.830 -1.222 -9.189 1.00 61.21 O ATOM 1461 OE2 GLU A 91 -0.061 0.703 -9.775 1.00 53.54 O ATOM 0 H GLU A 91 0.548 1.163 -7.788 1.00 13.31 H new ATOM 0 HA GLU A 91 0.743 -0.021 -5.335 1.00 62.23 H new ATOM 0 HB2 GLU A 91 1.856 -1.942 -6.858 1.00 72.43 H new ATOM 0 HB3 GLU A 91 0.159 -1.526 -6.997 1.00 72.43 H new ATOM 0 HG2 GLU A 91 2.053 0.147 -8.621 1.00 21.21 H new ATOM 0 HG3 GLU A 91 1.885 -1.523 -9.127 1.00 21.21 H new ATOM 1468 N GLU A 92 3.758 -0.206 -6.660 1.00 23.13 N ATOM 1469 CA GLU A 92 5.180 -0.208 -6.334 1.00 63.21 C ATOM 1470 C GLU A 92 5.841 1.085 -6.802 1.00 30.32 C ATOM 1471 O GLU A 92 5.795 1.425 -7.985 1.00 72.04 O ATOM 1472 CB GLU A 92 5.866 -1.402 -7.000 1.00 30.44 C ATOM 1473 CG GLU A 92 5.301 -1.595 -8.409 1.00 60.23 C ATOM 1474 CD GLU A 92 6.059 -2.708 -9.126 1.00 71.14 C ATOM 1475 OE1 GLU A 92 7.270 -2.604 -9.226 1.00 13.14 O ATOM 1476 OE2 GLU A 92 5.416 -3.647 -9.565 1.00 52.44 O ATOM 0 H GLU A 92 3.543 -0.453 -7.626 1.00 23.13 H new ATOM 0 HA GLU A 92 5.284 -0.285 -5.252 1.00 63.21 H new ATOM 0 HB2 GLU A 92 6.942 -1.236 -7.048 1.00 30.44 H new ATOM 0 HB3 GLU A 92 5.708 -2.303 -6.407 1.00 30.44 H new ATOM 0 HG2 GLU A 92 4.241 -1.842 -8.354 1.00 60.23 H new ATOM 0 HG3 GLU A 92 5.383 -0.666 -8.973 1.00 60.23 H new ATOM 1483 N ILE A 93 6.456 1.802 -5.866 1.00 65.24 N ATOM 1484 CA ILE A 93 7.124 3.057 -6.193 1.00 72.24 C ATOM 1485 C ILE A 93 8.619 2.961 -5.897 1.00 4.25 C ATOM 1486 O ILE A 93 9.037 2.206 -5.019 1.00 61.21 O ATOM 1487 CB ILE A 93 6.511 4.199 -5.381 1.00 32.22 C ATOM 1488 CG1 ILE A 93 6.331 3.747 -3.926 1.00 42.13 C ATOM 1489 CG2 ILE A 93 5.152 4.580 -5.975 1.00 2.21 C ATOM 1490 CD1 ILE A 93 4.940 3.135 -3.738 1.00 32.02 C ATOM 0 H ILE A 93 6.506 1.538 -4.882 1.00 65.24 H new ATOM 0 HA ILE A 93 6.989 3.255 -7.256 1.00 72.24 H new ATOM 0 HB ILE A 93 7.171 5.066 -5.413 1.00 32.22 H new ATOM 0 HG12 ILE A 93 7.097 3.017 -3.666 1.00 42.13 H new ATOM 0 HG13 ILE A 93 6.458 4.596 -3.254 1.00 42.13 H new ATOM 0 HG21 ILE A 93 4.717 5.394 -5.395 1.00 2.21 H new ATOM 0 HG22 ILE A 93 5.284 4.901 -7.008 1.00 2.21 H new ATOM 0 HG23 ILE A 93 4.487 3.717 -5.945 1.00 2.21 H new ATOM 0 HD11 ILE A 93 4.820 2.816 -2.703 1.00 32.02 H new ATOM 0 HD12 ILE A 93 4.180 3.878 -3.980 1.00 32.02 H new ATOM 0 HD13 ILE A 93 4.829 2.274 -4.398 1.00 32.02 H new ATOM 1502 N PHE A 94 9.422 3.727 -6.633 1.00 50.33 N ATOM 1503 CA PHE A 94 10.868 3.709 -6.434 1.00 33.52 C ATOM 1504 C PHE A 94 11.357 5.050 -5.896 1.00 11.43 C ATOM 1505 O PHE A 94 11.084 6.100 -6.478 1.00 54.50 O ATOM 1506 CB PHE A 94 11.569 3.397 -7.756 1.00 53.11 C ATOM 1507 CG PHE A 94 11.519 1.910 -8.010 1.00 14.45 C ATOM 1508 CD1 PHE A 94 10.291 1.282 -8.255 1.00 43.14 C ATOM 1509 CD2 PHE A 94 12.699 1.158 -7.998 1.00 41.11 C ATOM 1510 CE1 PHE A 94 10.245 -0.097 -8.488 1.00 0.34 C ATOM 1511 CE2 PHE A 94 12.653 -0.222 -8.231 1.00 1.24 C ATOM 1512 CZ PHE A 94 11.425 -0.849 -8.476 1.00 65.33 C ATOM 0 H PHE A 94 9.100 4.361 -7.364 1.00 50.33 H new ATOM 0 HA PHE A 94 11.106 2.935 -5.704 1.00 33.52 H new ATOM 0 HB2 PHE A 94 11.085 3.933 -8.572 1.00 53.11 H new ATOM 0 HB3 PHE A 94 12.604 3.737 -7.721 1.00 53.11 H new ATOM 0 HD1 PHE A 94 9.380 1.862 -8.264 1.00 43.14 H new ATOM 0 HD2 PHE A 94 13.646 1.642 -7.809 1.00 41.11 H new ATOM 0 HE1 PHE A 94 9.298 -0.581 -8.677 1.00 0.34 H new ATOM 0 HE2 PHE A 94 13.564 -0.802 -8.222 1.00 1.24 H new ATOM 0 HZ PHE A 94 11.389 -1.913 -8.656 1.00 65.33 H new ATOM 1522 N ILE A 95 12.081 5.008 -4.781 1.00 42.13 N ATOM 1523 CA ILE A 95 12.603 6.229 -4.173 1.00 3.20 C ATOM 1524 C ILE A 95 14.129 6.219 -4.157 1.00 74.53 C ATOM 1525 O ILE A 95 14.747 5.369 -3.515 1.00 72.44 O ATOM 1526 CB ILE A 95 12.087 6.364 -2.738 1.00 23.20 C ATOM 1527 CG1 ILE A 95 10.644 5.853 -2.657 1.00 12.52 C ATOM 1528 CG2 ILE A 95 12.144 7.835 -2.311 1.00 4.33 C ATOM 1529 CD1 ILE A 95 9.737 6.710 -3.542 1.00 30.22 C ATOM 0 H ILE A 95 12.318 4.150 -4.283 1.00 42.13 H new ATOM 0 HA ILE A 95 12.260 7.075 -4.769 1.00 3.20 H new ATOM 0 HB ILE A 95 12.712 5.771 -2.070 1.00 23.20 H new ATOM 0 HG12 ILE A 95 10.599 4.812 -2.976 1.00 12.52 H new ATOM 0 HG13 ILE A 95 10.295 5.885 -1.625 1.00 12.52 H new ATOM 0 HG21 ILE A 95 11.777 7.932 -1.289 1.00 4.33 H new ATOM 0 HG22 ILE A 95 13.174 8.189 -2.361 1.00 4.33 H new ATOM 0 HG23 ILE A 95 11.522 8.432 -2.978 1.00 4.33 H new ATOM 0 HD11 ILE A 95 8.713 6.341 -3.479 1.00 30.22 H new ATOM 0 HD12 ILE A 95 9.771 7.745 -3.203 1.00 30.22 H new ATOM 0 HD13 ILE A 95 10.080 6.655 -4.575 1.00 30.22 H new ATOM 1541 N PHE A 96 14.731 7.175 -4.858 1.00 75.10 N ATOM 1542 CA PHE A 96 16.186 7.274 -4.908 1.00 52.43 C ATOM 1543 C PHE A 96 16.674 8.351 -3.941 1.00 41.44 C ATOM 1544 O PHE A 96 17.835 8.358 -3.535 1.00 4.01 O ATOM 1545 CB PHE A 96 16.639 7.617 -6.329 1.00 34.44 C ATOM 1546 CG PHE A 96 16.796 6.347 -7.132 1.00 73.32 C ATOM 1547 CD1 PHE A 96 15.674 5.568 -7.440 1.00 44.34 C ATOM 1548 CD2 PHE A 96 18.065 5.950 -7.569 1.00 50.12 C ATOM 1549 CE1 PHE A 96 15.822 4.391 -8.184 1.00 2.12 C ATOM 1550 CE2 PHE A 96 18.213 4.773 -8.314 1.00 14.13 C ATOM 1551 CZ PHE A 96 17.092 3.994 -8.621 1.00 73.13 C ATOM 0 H PHE A 96 14.238 7.888 -5.396 1.00 75.10 H new ATOM 0 HA PHE A 96 16.611 6.314 -4.617 1.00 52.43 H new ATOM 0 HB2 PHE A 96 15.910 8.273 -6.805 1.00 34.44 H new ATOM 0 HB3 PHE A 96 17.584 8.159 -6.299 1.00 34.44 H new ATOM 0 HD1 PHE A 96 14.695 5.875 -7.104 1.00 44.34 H new ATOM 0 HD2 PHE A 96 18.930 6.551 -7.332 1.00 50.12 H new ATOM 0 HE1 PHE A 96 14.957 3.789 -8.421 1.00 2.12 H new ATOM 0 HE2 PHE A 96 19.192 4.467 -8.651 1.00 14.13 H new ATOM 0 HZ PHE A 96 17.206 3.086 -9.195 1.00 73.13 H new ATOM 1561 N GLY A 97 15.764 9.254 -3.578 1.00 43.04 N ATOM 1562 CA GLY A 97 16.074 10.345 -2.657 1.00 23.25 C ATOM 1563 C GLY A 97 17.576 10.537 -2.483 1.00 53.25 C ATOM 1564 O GLY A 97 18.263 11.006 -3.391 1.00 41.44 O ATOM 0 H GLY A 97 14.800 9.250 -3.911 1.00 43.04 H new ATOM 0 HA2 GLY A 97 15.631 11.269 -3.028 1.00 23.25 H new ATOM 0 HA3 GLY A 97 15.620 10.141 -1.687 1.00 23.25 H new ATOM 1568 N GLY A 98 18.073 10.178 -1.304 1.00 34.12 N ATOM 1569 CA GLY A 98 19.493 10.315 -1.000 1.00 73.21 C ATOM 1570 C GLY A 98 19.805 9.727 0.372 1.00 23.30 C ATOM 1571 O GLY A 98 19.085 8.856 0.859 1.00 52.03 O ATOM 0 H GLY A 98 17.514 9.790 -0.544 1.00 34.12 H new ATOM 0 HA2 GLY A 98 20.085 9.808 -1.762 1.00 73.21 H new ATOM 0 HA3 GLY A 98 19.776 11.367 -1.024 1.00 73.21 H new ATOM 1575 N ALA A 99 20.880 10.203 0.992 1.00 40.53 N ATOM 1576 CA ALA A 99 21.267 9.706 2.308 1.00 23.30 C ATOM 1577 C ALA A 99 20.280 10.175 3.376 1.00 41.21 C ATOM 1578 O ALA A 99 19.628 9.360 4.029 1.00 21.40 O ATOM 1579 CB ALA A 99 22.678 10.186 2.661 1.00 35.34 C ATOM 0 H ALA A 99 21.492 10.924 0.610 1.00 40.53 H new ATOM 0 HA ALA A 99 21.256 8.617 2.277 1.00 23.30 H new ATOM 0 HB1 ALA A 99 22.955 9.809 3.645 1.00 35.34 H new ATOM 0 HB2 ALA A 99 23.385 9.816 1.918 1.00 35.34 H new ATOM 0 HB3 ALA A 99 22.700 11.276 2.671 1.00 35.34 H new ATOM 1585 N GLN A 100 20.178 11.489 3.553 1.00 65.31 N ATOM 1586 CA GLN A 100 19.270 12.050 4.551 1.00 51.54 C ATOM 1587 C GLN A 100 17.826 11.644 4.270 1.00 24.42 C ATOM 1588 O GLN A 100 17.039 11.444 5.195 1.00 22.13 O ATOM 1589 CB GLN A 100 19.378 13.577 4.561 1.00 35.32 C ATOM 1590 CG GLN A 100 18.552 14.156 3.411 1.00 52.10 C ATOM 1591 CD GLN A 100 18.869 15.638 3.233 1.00 61.30 C ATOM 1592 OE1 GLN A 100 20.026 16.044 3.346 1.00 61.30 O ATOM 1593 NE2 GLN A 100 17.905 16.474 2.960 1.00 52.31 N ATOM 0 H GLN A 100 20.708 12.181 3.024 1.00 65.31 H new ATOM 0 HA GLN A 100 19.558 11.656 5.526 1.00 51.54 H new ATOM 0 HB2 GLN A 100 19.022 13.971 5.513 1.00 35.32 H new ATOM 0 HB3 GLN A 100 20.421 13.879 4.462 1.00 35.32 H new ATOM 0 HG2 GLN A 100 18.769 13.616 2.489 1.00 52.10 H new ATOM 0 HG3 GLN A 100 17.489 14.025 3.614 1.00 52.10 H new ATOM 0 HE21 GLN A 100 16.947 16.135 2.867 1.00 52.31 H new ATOM 0 HE22 GLN A 100 18.109 17.466 2.840 1.00 52.31 H new ATOM 1602 N ILE A 101 17.480 11.527 2.992 1.00 3.13 N ATOM 1603 CA ILE A 101 16.123 11.148 2.614 1.00 45.23 C ATOM 1604 C ILE A 101 15.862 9.680 2.938 1.00 14.24 C ATOM 1605 O ILE A 101 14.738 9.296 3.253 1.00 72.24 O ATOM 1606 CB ILE A 101 15.905 11.391 1.121 1.00 50.11 C ATOM 1607 CG1 ILE A 101 16.099 12.878 0.817 1.00 21.45 C ATOM 1608 CG2 ILE A 101 14.484 10.975 0.736 1.00 65.43 C ATOM 1609 CD1 ILE A 101 14.805 13.635 1.123 1.00 24.13 C ATOM 0 H ILE A 101 18.113 11.687 2.208 1.00 3.13 H new ATOM 0 HA ILE A 101 15.426 11.762 3.185 1.00 45.23 H new ATOM 0 HB ILE A 101 16.622 10.803 0.548 1.00 50.11 H new ATOM 0 HG12 ILE A 101 16.917 13.279 1.415 1.00 21.45 H new ATOM 0 HG13 ILE A 101 16.373 13.013 -0.229 1.00 21.45 H new ATOM 0 HG21 ILE A 101 14.330 11.149 -0.329 1.00 65.43 H new ATOM 0 HG22 ILE A 101 14.343 9.917 0.955 1.00 65.43 H new ATOM 0 HG23 ILE A 101 13.765 11.563 1.307 1.00 65.43 H new ATOM 0 HD11 ILE A 101 14.943 14.694 0.906 1.00 24.13 H new ATOM 0 HD12 ILE A 101 13.998 13.241 0.505 1.00 24.13 H new ATOM 0 HD13 ILE A 101 14.551 13.510 2.176 1.00 24.13 H new ATOM 1621 N TYR A 102 16.905 8.860 2.863 1.00 0.52 N ATOM 1622 CA TYR A 102 16.761 7.440 3.158 1.00 40.30 C ATOM 1623 C TYR A 102 16.493 7.242 4.648 1.00 0.44 C ATOM 1624 O TYR A 102 15.601 6.487 5.035 1.00 1.43 O ATOM 1625 CB TYR A 102 18.029 6.685 2.730 1.00 2.33 C ATOM 1626 CG TYR A 102 18.459 5.713 3.807 1.00 70.02 C ATOM 1627 CD1 TYR A 102 17.550 4.774 4.311 1.00 52.41 C ATOM 1628 CD2 TYR A 102 19.768 5.754 4.300 1.00 60.22 C ATOM 1629 CE1 TYR A 102 17.953 3.877 5.309 1.00 32.41 C ATOM 1630 CE2 TYR A 102 20.170 4.858 5.297 1.00 3.35 C ATOM 1631 CZ TYR A 102 19.263 3.919 5.801 1.00 52.42 C ATOM 1632 OH TYR A 102 19.660 3.036 6.784 1.00 11.14 O ATOM 0 H TYR A 102 17.848 9.150 2.604 1.00 0.52 H new ATOM 0 HA TYR A 102 15.915 7.041 2.599 1.00 40.30 H new ATOM 0 HB2 TYR A 102 17.842 6.147 1.801 1.00 2.33 H new ATOM 0 HB3 TYR A 102 18.832 7.395 2.532 1.00 2.33 H new ATOM 0 HD1 TYR A 102 16.540 4.741 3.931 1.00 52.41 H new ATOM 0 HD2 TYR A 102 20.469 6.478 3.911 1.00 60.22 H new ATOM 0 HE1 TYR A 102 17.253 3.153 5.699 1.00 32.41 H new ATOM 0 HE2 TYR A 102 21.180 4.891 5.677 1.00 3.35 H new ATOM 0 HH TYR A 102 20.599 3.200 7.011 1.00 11.14 H new ATOM 1642 N ASP A 103 17.269 7.932 5.479 1.00 11.54 N ATOM 1643 CA ASP A 103 17.103 7.829 6.924 1.00 13.01 C ATOM 1644 C ASP A 103 15.760 8.415 7.345 1.00 35.00 C ATOM 1645 O ASP A 103 15.082 7.874 8.218 1.00 1.43 O ATOM 1646 CB ASP A 103 18.235 8.575 7.636 1.00 4.14 C ATOM 1647 CG ASP A 103 18.164 8.321 9.139 1.00 24.02 C ATOM 1648 OD1 ASP A 103 17.405 7.454 9.539 1.00 32.52 O ATOM 1649 OD2 ASP A 103 18.870 8.999 9.868 1.00 74.40 O ATOM 0 H ASP A 103 18.012 8.563 5.180 1.00 11.54 H new ATOM 0 HA ASP A 103 17.134 6.776 7.203 1.00 13.01 H new ATOM 0 HB2 ASP A 103 19.199 8.245 7.248 1.00 4.14 H new ATOM 0 HB3 ASP A 103 18.160 9.644 7.436 1.00 4.14 H new ATOM 1654 N LEU A 104 15.378 9.522 6.716 1.00 20.11 N ATOM 1655 CA LEU A 104 14.110 10.170 7.033 1.00 64.11 C ATOM 1656 C LEU A 104 12.941 9.319 6.545 1.00 54.54 C ATOM 1657 O LEU A 104 11.850 9.362 7.113 1.00 73.42 O ATOM 1658 CB LEU A 104 14.046 11.551 6.374 1.00 64.34 C ATOM 1659 CG LEU A 104 14.491 12.625 7.371 1.00 43.23 C ATOM 1660 CD1 LEU A 104 13.378 12.869 8.392 1.00 73.31 C ATOM 1661 CD2 LEU A 104 15.759 12.162 8.096 1.00 32.41 C ATOM 0 H LEU A 104 15.923 9.986 5.990 1.00 20.11 H new ATOM 0 HA LEU A 104 14.041 10.282 8.115 1.00 64.11 H new ATOM 0 HB2 LEU A 104 14.687 11.573 5.492 1.00 64.34 H new ATOM 0 HB3 LEU A 104 13.030 11.755 6.035 1.00 64.34 H new ATOM 0 HG LEU A 104 14.700 13.550 6.834 1.00 43.23 H new ATOM 0 HD11 LEU A 104 13.696 13.633 9.101 1.00 73.31 H new ATOM 0 HD12 LEU A 104 12.478 13.204 7.876 1.00 73.31 H new ATOM 0 HD13 LEU A 104 13.166 11.943 8.927 1.00 73.31 H new ATOM 0 HD21 LEU A 104 16.073 12.928 8.805 1.00 32.41 H new ATOM 0 HD22 LEU A 104 15.554 11.235 8.631 1.00 32.41 H new ATOM 0 HD23 LEU A 104 16.553 11.993 7.369 1.00 32.41 H new ATOM 1673 N PHE A 105 13.177 8.550 5.486 1.00 43.33 N ATOM 1674 CA PHE A 105 12.135 7.696 4.925 1.00 61.43 C ATOM 1675 C PHE A 105 12.355 6.243 5.340 1.00 42.22 C ATOM 1676 O PHE A 105 11.782 5.327 4.751 1.00 41.31 O ATOM 1677 CB PHE A 105 12.141 7.790 3.396 1.00 5.33 C ATOM 1678 CG PHE A 105 11.601 9.131 2.952 1.00 21.50 C ATOM 1679 CD1 PHE A 105 12.178 10.319 3.421 1.00 15.21 C ATOM 1680 CD2 PHE A 105 10.529 9.186 2.052 1.00 14.53 C ATOM 1681 CE1 PHE A 105 11.683 11.554 2.993 1.00 12.20 C ATOM 1682 CE2 PHE A 105 10.037 10.422 1.622 1.00 31.15 C ATOM 1683 CZ PHE A 105 10.615 11.607 2.093 1.00 12.01 C ATOM 0 H PHE A 105 14.074 8.500 5.002 1.00 43.33 H new ATOM 0 HA PHE A 105 11.173 8.037 5.307 1.00 61.43 H new ATOM 0 HB2 PHE A 105 13.155 7.656 3.020 1.00 5.33 H new ATOM 0 HB3 PHE A 105 11.536 6.988 2.973 1.00 5.33 H new ATOM 0 HD1 PHE A 105 13.006 10.280 4.114 1.00 15.21 H new ATOM 0 HD2 PHE A 105 10.082 8.272 1.690 1.00 14.53 H new ATOM 0 HE1 PHE A 105 12.126 12.469 3.358 1.00 12.20 H new ATOM 0 HE2 PHE A 105 9.211 10.463 0.927 1.00 31.15 H new ATOM 0 HZ PHE A 105 10.236 12.562 1.761 1.00 12.01 H new ATOM 1693 N LEU A 106 13.193 6.040 6.353 1.00 63.22 N ATOM 1694 CA LEU A 106 13.486 4.693 6.833 1.00 64.04 C ATOM 1695 C LEU A 106 12.233 4.048 7.427 1.00 34.53 C ATOM 1696 O LEU A 106 11.999 2.853 7.245 1.00 44.32 O ATOM 1697 CB LEU A 106 14.621 4.748 7.872 1.00 44.11 C ATOM 1698 CG LEU A 106 14.495 3.602 8.887 1.00 60.44 C ATOM 1699 CD1 LEU A 106 14.643 2.259 8.170 1.00 23.42 C ATOM 1700 CD2 LEU A 106 15.603 3.739 9.934 1.00 75.04 C ATOM 0 H LEU A 106 13.678 6.785 6.854 1.00 63.22 H new ATOM 0 HA LEU A 106 13.810 4.079 5.993 1.00 64.04 H new ATOM 0 HB2 LEU A 106 15.585 4.686 7.366 1.00 44.11 H new ATOM 0 HB3 LEU A 106 14.595 5.705 8.394 1.00 44.11 H new ATOM 0 HG LEU A 106 13.518 3.648 9.369 1.00 60.44 H new ATOM 0 HD11 LEU A 106 14.553 1.449 8.893 1.00 23.42 H new ATOM 0 HD12 LEU A 106 13.862 2.161 7.416 1.00 23.42 H new ATOM 0 HD13 LEU A 106 15.620 2.209 7.689 1.00 23.42 H new ATOM 0 HD21 LEU A 106 15.521 2.929 10.659 1.00 75.04 H new ATOM 0 HD22 LEU A 106 16.575 3.690 9.444 1.00 75.04 H new ATOM 0 HD23 LEU A 106 15.503 4.696 10.446 1.00 75.04 H new ATOM 1712 N PRO A 107 11.426 4.809 8.125 1.00 63.22 N ATOM 1713 CA PRO A 107 10.178 4.298 8.748 1.00 22.35 C ATOM 1714 C PRO A 107 8.993 4.339 7.785 1.00 35.44 C ATOM 1715 O PRO A 107 7.855 4.075 8.175 1.00 63.31 O ATOM 1716 CB PRO A 107 9.964 5.257 9.915 1.00 15.11 C ATOM 1717 CG PRO A 107 10.552 6.559 9.470 1.00 21.44 C ATOM 1718 CD PRO A 107 11.610 6.242 8.405 1.00 3.34 C ATOM 0 HA PRO A 107 10.257 3.253 9.046 1.00 22.35 H new ATOM 0 HB2 PRO A 107 8.904 5.363 10.147 1.00 15.11 H new ATOM 0 HB3 PRO A 107 10.454 4.893 10.818 1.00 15.11 H new ATOM 0 HG2 PRO A 107 9.779 7.210 9.062 1.00 21.44 H new ATOM 0 HG3 PRO A 107 11.000 7.086 10.312 1.00 21.44 H new ATOM 0 HD2 PRO A 107 11.465 6.844 7.508 1.00 3.34 H new ATOM 0 HD3 PRO A 107 12.616 6.450 8.769 1.00 3.34 H new ATOM 1726 N TYR A 108 9.268 4.677 6.528 1.00 61.12 N ATOM 1727 CA TYR A 108 8.215 4.756 5.517 1.00 40.35 C ATOM 1728 C TYR A 108 8.450 3.739 4.402 1.00 44.44 C ATOM 1729 O TYR A 108 7.537 3.421 3.641 1.00 63.12 O ATOM 1730 CB TYR A 108 8.173 6.162 4.914 1.00 61.01 C ATOM 1731 CG TYR A 108 7.486 7.106 5.872 1.00 71.44 C ATOM 1732 CD1 TYR A 108 6.095 7.260 5.826 1.00 0.42 C ATOM 1733 CD2 TYR A 108 8.240 7.827 6.804 1.00 13.21 C ATOM 1734 CE1 TYR A 108 5.458 8.136 6.713 1.00 71.41 C ATOM 1735 CE2 TYR A 108 7.603 8.703 7.692 1.00 51.32 C ATOM 1736 CZ TYR A 108 6.212 8.858 7.646 1.00 22.05 C ATOM 1737 OH TYR A 108 5.584 9.722 8.520 1.00 40.41 O ATOM 0 H TYR A 108 10.203 4.899 6.186 1.00 61.12 H new ATOM 0 HA TYR A 108 7.265 4.533 6.002 1.00 40.35 H new ATOM 0 HB2 TYR A 108 9.185 6.510 4.708 1.00 61.01 H new ATOM 0 HB3 TYR A 108 7.642 6.144 3.962 1.00 61.01 H new ATOM 0 HD1 TYR A 108 5.514 6.703 5.106 1.00 0.42 H new ATOM 0 HD2 TYR A 108 9.313 7.708 6.839 1.00 13.21 H new ATOM 0 HE1 TYR A 108 4.385 8.255 6.678 1.00 71.41 H new ATOM 0 HE2 TYR A 108 8.185 9.259 8.412 1.00 51.32 H new ATOM 0 HH TYR A 108 6.252 10.142 9.101 1.00 40.41 H new ATOM 1747 N VAL A 109 9.678 3.239 4.305 1.00 10.45 N ATOM 1748 CA VAL A 109 10.016 2.267 3.269 1.00 12.22 C ATOM 1749 C VAL A 109 9.773 0.842 3.759 1.00 34.30 C ATOM 1750 O VAL A 109 9.662 0.596 4.960 1.00 51.53 O ATOM 1751 CB VAL A 109 11.484 2.425 2.867 1.00 72.21 C ATOM 1752 CG1 VAL A 109 12.366 2.315 4.111 1.00 43.20 C ATOM 1753 CG2 VAL A 109 11.863 1.321 1.877 1.00 52.02 C ATOM 0 H VAL A 109 10.449 3.487 4.924 1.00 10.45 H new ATOM 0 HA VAL A 109 9.377 2.452 2.406 1.00 12.22 H new ATOM 0 HB VAL A 109 11.630 3.399 2.400 1.00 72.21 H new ATOM 0 HG11 VAL A 109 13.412 2.427 3.826 1.00 43.20 H new ATOM 0 HG12 VAL A 109 12.096 3.099 4.819 1.00 43.20 H new ATOM 0 HG13 VAL A 109 12.219 1.340 4.576 1.00 43.20 H new ATOM 0 HG21 VAL A 109 12.909 1.433 1.590 1.00 52.02 H new ATOM 0 HG22 VAL A 109 11.717 0.347 2.345 1.00 52.02 H new ATOM 0 HG23 VAL A 109 11.234 1.396 0.990 1.00 52.02 H new ATOM 1763 N ASP A 110 9.697 -0.095 2.817 1.00 41.32 N ATOM 1764 CA ASP A 110 9.474 -1.494 3.160 1.00 3.53 C ATOM 1765 C ASP A 110 10.626 -2.352 2.646 1.00 4.44 C ATOM 1766 O ASP A 110 11.043 -3.305 3.303 1.00 51.53 O ATOM 1767 CB ASP A 110 8.157 -1.982 2.556 1.00 1.03 C ATOM 1768 CG ASP A 110 6.997 -1.147 3.087 1.00 45.22 C ATOM 1769 OD1 ASP A 110 7.258 -0.114 3.680 1.00 13.03 O ATOM 1770 OD2 ASP A 110 5.863 -1.555 2.895 1.00 13.32 O ATOM 0 H ASP A 110 9.786 0.089 1.818 1.00 41.32 H new ATOM 0 HA ASP A 110 9.422 -1.582 4.245 1.00 3.53 H new ATOM 0 HB2 ASP A 110 8.198 -1.912 1.469 1.00 1.03 H new ATOM 0 HB3 ASP A 110 8.002 -3.032 2.802 1.00 1.03 H new ATOM 1775 N LYS A 111 11.143 -1.997 1.473 1.00 23.23 N ATOM 1776 CA LYS A 111 12.258 -2.734 0.884 1.00 73.12 C ATOM 1777 C LYS A 111 13.464 -1.816 0.740 1.00 33.31 C ATOM 1778 O LYS A 111 13.348 -0.699 0.236 1.00 61.11 O ATOM 1779 CB LYS A 111 11.872 -3.279 -0.501 1.00 22.11 C ATOM 1780 CG LYS A 111 11.472 -4.764 -0.421 1.00 71.45 C ATOM 1781 CD LYS A 111 9.948 -4.894 -0.487 1.00 5.34 C ATOM 1782 CE LYS A 111 9.504 -6.083 0.361 1.00 11.42 C ATOM 1783 NZ LYS A 111 8.053 -6.331 0.141 1.00 32.02 N ATOM 0 H LYS A 111 10.811 -1.210 0.915 1.00 23.23 H new ATOM 0 HA LYS A 111 12.504 -3.569 1.540 1.00 73.12 H new ATOM 0 HB2 LYS A 111 11.044 -2.697 -0.906 1.00 22.11 H new ATOM 0 HB3 LYS A 111 12.710 -3.161 -1.188 1.00 22.11 H new ATOM 0 HG2 LYS A 111 11.929 -5.318 -1.241 1.00 71.45 H new ATOM 0 HG3 LYS A 111 11.844 -5.201 0.506 1.00 71.45 H new ATOM 0 HD2 LYS A 111 9.478 -3.979 -0.125 1.00 5.34 H new ATOM 0 HD3 LYS A 111 9.628 -5.030 -1.520 1.00 5.34 H new ATOM 0 HE2 LYS A 111 10.080 -6.969 0.095 1.00 11.42 H new ATOM 0 HE3 LYS A 111 9.695 -5.883 1.415 1.00 11.42 H new ATOM 0 HZ1 LYS A 111 7.748 -7.141 0.718 1.00 32.02 H new ATOM 0 HZ2 LYS A 111 7.511 -5.487 0.415 1.00 32.02 H new ATOM 0 HZ3 LYS A 111 7.885 -6.539 -0.864 1.00 32.02 H new ATOM 1797 N LEU A 112 14.621 -2.290 1.185 1.00 23.33 N ATOM 1798 CA LEU A 112 15.837 -1.490 1.098 1.00 34.33 C ATOM 1799 C LEU A 112 16.788 -2.077 0.052 1.00 4.15 C ATOM 1800 O LEU A 112 17.226 -3.222 0.168 1.00 63.53 O ATOM 1801 CB LEU A 112 16.547 -1.461 2.471 1.00 73.20 C ATOM 1802 CG LEU A 112 16.391 -0.137 3.267 1.00 42.24 C ATOM 1803 CD1 LEU A 112 17.731 0.177 3.936 1.00 53.12 C ATOM 1804 CD2 LEU A 112 16.003 1.068 2.398 1.00 71.40 C ATOM 0 H LEU A 112 14.743 -3.212 1.604 1.00 23.33 H new ATOM 0 HA LEU A 112 15.563 -0.477 0.805 1.00 34.33 H new ATOM 0 HB2 LEU A 112 16.162 -2.280 3.079 1.00 73.20 H new ATOM 0 HB3 LEU A 112 17.609 -1.651 2.317 1.00 73.20 H new ATOM 0 HG LEU A 112 15.584 -0.290 3.983 1.00 42.24 H new ATOM 0 HD11 LEU A 112 17.646 1.105 4.502 1.00 53.12 H new ATOM 0 HD12 LEU A 112 18.001 -0.636 4.610 1.00 53.12 H new ATOM 0 HD13 LEU A 112 18.502 0.287 3.173 1.00 53.12 H new ATOM 0 HD21 LEU A 112 15.913 1.955 3.025 1.00 71.40 H new ATOM 0 HD22 LEU A 112 16.771 1.234 1.643 1.00 71.40 H new ATOM 0 HD23 LEU A 112 15.049 0.871 1.908 1.00 71.40 H new ATOM 1816 N TYR A 113 17.107 -1.275 -0.962 1.00 14.32 N ATOM 1817 CA TYR A 113 18.014 -1.711 -2.021 1.00 53.11 C ATOM 1818 C TYR A 113 19.295 -0.882 -1.990 1.00 54.03 C ATOM 1819 O TYR A 113 19.331 0.240 -2.494 1.00 72.50 O ATOM 1820 CB TYR A 113 17.345 -1.555 -3.388 1.00 23.05 C ATOM 1821 CG TYR A 113 16.586 -2.812 -3.727 1.00 54.22 C ATOM 1822 CD1 TYR A 113 15.493 -3.201 -2.944 1.00 13.01 C ATOM 1823 CD2 TYR A 113 16.971 -3.588 -4.827 1.00 40.34 C ATOM 1824 CE1 TYR A 113 14.785 -4.365 -3.261 1.00 40.10 C ATOM 1825 CE2 TYR A 113 16.264 -4.752 -5.143 1.00 52.11 C ATOM 1826 CZ TYR A 113 15.170 -5.140 -4.360 1.00 72.55 C ATOM 1827 OH TYR A 113 14.472 -6.288 -4.672 1.00 33.42 O ATOM 0 H TYR A 113 16.753 -0.325 -1.072 1.00 14.32 H new ATOM 0 HA TYR A 113 18.257 -2.761 -1.856 1.00 53.11 H new ATOM 0 HB2 TYR A 113 16.668 -0.701 -3.377 1.00 23.05 H new ATOM 0 HB3 TYR A 113 18.097 -1.355 -4.151 1.00 23.05 H new ATOM 0 HD1 TYR A 113 15.196 -2.603 -2.095 1.00 13.01 H new ATOM 0 HD2 TYR A 113 17.814 -3.287 -5.431 1.00 40.34 H new ATOM 0 HE1 TYR A 113 13.941 -4.665 -2.657 1.00 40.10 H new ATOM 0 HE2 TYR A 113 16.562 -5.352 -5.991 1.00 52.11 H new ATOM 0 HH TYR A 113 14.869 -6.707 -5.464 1.00 33.42 H new ATOM 1837 N ILE A 114 20.339 -1.434 -1.383 1.00 34.43 N ATOM 1838 CA ILE A 114 21.611 -0.730 -1.277 1.00 12.53 C ATOM 1839 C ILE A 114 22.757 -1.562 -1.844 1.00 42.34 C ATOM 1840 O ILE A 114 22.803 -2.780 -1.667 1.00 2.14 O ATOM 1841 CB ILE A 114 21.898 -0.405 0.187 1.00 5.31 C ATOM 1842 CG1 ILE A 114 20.687 0.300 0.796 1.00 0.12 C ATOM 1843 CG2 ILE A 114 23.119 0.506 0.283 1.00 52.40 C ATOM 1844 CD1 ILE A 114 19.658 -0.738 1.236 1.00 31.40 C ATOM 0 H ILE A 114 20.330 -2.362 -0.959 1.00 34.43 H new ATOM 0 HA ILE A 114 21.536 0.190 -1.857 1.00 12.53 H new ATOM 0 HB ILE A 114 22.095 -1.329 0.731 1.00 5.31 H new ATOM 0 HG12 ILE A 114 20.996 0.904 1.649 1.00 0.12 H new ATOM 0 HG13 ILE A 114 20.245 0.979 0.067 1.00 0.12 H new ATOM 0 HG21 ILE A 114 23.320 0.736 1.329 1.00 52.40 H new ATOM 0 HG22 ILE A 114 23.983 0.003 -0.151 1.00 52.40 H new ATOM 0 HG23 ILE A 114 22.927 1.431 -0.261 1.00 52.40 H new ATOM 0 HD11 ILE A 114 18.795 -0.233 1.670 1.00 31.40 H new ATOM 0 HD12 ILE A 114 19.340 -1.323 0.373 1.00 31.40 H new ATOM 0 HD13 ILE A 114 20.103 -1.399 1.979 1.00 31.40 H new ATOM 1856 N THR A 115 23.686 -0.892 -2.519 1.00 4.24 N ATOM 1857 CA THR A 115 24.838 -1.571 -3.101 1.00 63.12 C ATOM 1858 C THR A 115 26.135 -0.931 -2.616 1.00 31.01 C ATOM 1859 O THR A 115 26.331 0.278 -2.750 1.00 13.32 O ATOM 1860 CB THR A 115 24.775 -1.497 -4.626 1.00 2.23 C ATOM 1861 OG1 THR A 115 25.990 -1.996 -5.170 1.00 4.34 O ATOM 1862 CG2 THR A 115 24.577 -0.045 -5.060 1.00 45.35 C ATOM 0 H THR A 115 23.664 0.116 -2.676 1.00 4.24 H new ATOM 0 HA THR A 115 24.817 -2.615 -2.787 1.00 63.12 H new ATOM 0 HB THR A 115 23.940 -2.097 -4.987 1.00 2.23 H new ATOM 0 HG1 THR A 115 26.139 -2.911 -4.852 1.00 4.34 H new ATOM 0 HG21 THR A 115 24.532 0.007 -6.148 1.00 45.35 H new ATOM 0 HG22 THR A 115 23.646 0.337 -4.640 1.00 45.35 H new ATOM 0 HG23 THR A 115 25.411 0.559 -4.702 1.00 45.35 H new ATOM 1870 N LYS A 116 27.018 -1.749 -2.053 1.00 14.01 N ATOM 1871 CA LYS A 116 28.294 -1.251 -1.552 1.00 41.12 C ATOM 1872 C LYS A 116 29.363 -1.339 -2.636 1.00 31.14 C ATOM 1873 O LYS A 116 29.590 -2.403 -3.211 1.00 1.12 O ATOM 1874 CB LYS A 116 28.731 -2.066 -0.334 1.00 53.43 C ATOM 1875 CG LYS A 116 27.494 -2.518 0.443 1.00 40.02 C ATOM 1876 CD LYS A 116 27.921 -3.130 1.780 1.00 44.44 C ATOM 1877 CE LYS A 116 26.684 -3.608 2.545 1.00 13.11 C ATOM 1878 NZ LYS A 116 26.125 -4.820 1.880 1.00 32.24 N ATOM 0 H LYS A 116 26.876 -2.752 -1.933 1.00 14.01 H new ATOM 0 HA LYS A 116 28.169 -0.207 -1.263 1.00 41.12 H new ATOM 0 HB2 LYS A 116 29.312 -2.932 -0.651 1.00 53.43 H new ATOM 0 HB3 LYS A 116 29.377 -1.466 0.306 1.00 53.43 H new ATOM 0 HG2 LYS A 116 26.831 -1.670 0.615 1.00 40.02 H new ATOM 0 HG3 LYS A 116 26.933 -3.248 -0.140 1.00 40.02 H new ATOM 0 HD2 LYS A 116 28.600 -3.965 1.609 1.00 44.44 H new ATOM 0 HD3 LYS A 116 28.465 -2.393 2.372 1.00 44.44 H new ATOM 0 HE2 LYS A 116 26.948 -3.836 3.578 1.00 13.11 H new ATOM 0 HE3 LYS A 116 25.934 -2.818 2.575 1.00 13.11 H new ATOM 0 HZ1 LYS A 116 25.337 -5.194 2.446 1.00 32.24 H new ATOM 0 HZ2 LYS A 116 25.781 -4.568 0.931 1.00 32.24 H new ATOM 0 HZ3 LYS A 116 26.867 -5.544 1.798 1.00 32.24 H new ATOM 1892 N ILE A 117 30.015 -0.215 -2.909 1.00 33.13 N ATOM 1893 CA ILE A 117 31.058 -0.177 -3.927 1.00 4.51 C ATOM 1894 C ILE A 117 32.438 -0.118 -3.278 1.00 60.30 C ATOM 1895 O ILE A 117 32.660 0.645 -2.337 1.00 71.01 O ATOM 1896 CB ILE A 117 30.857 1.041 -4.831 1.00 11.42 C ATOM 1897 CG1 ILE A 117 29.538 0.886 -5.594 1.00 25.32 C ATOM 1898 CG2 ILE A 117 32.015 1.141 -5.827 1.00 61.41 C ATOM 1899 CD1 ILE A 117 29.342 2.077 -6.532 1.00 71.31 C ATOM 0 H ILE A 117 29.842 0.676 -2.444 1.00 33.13 H new ATOM 0 HA ILE A 117 30.993 -1.086 -4.526 1.00 4.51 H new ATOM 0 HB ILE A 117 30.828 1.946 -4.224 1.00 11.42 H new ATOM 0 HG12 ILE A 117 29.544 -0.042 -6.166 1.00 25.32 H new ATOM 0 HG13 ILE A 117 28.706 0.823 -4.892 1.00 25.32 H new ATOM 0 HG21 ILE A 117 31.869 2.009 -6.469 1.00 61.41 H new ATOM 0 HG22 ILE A 117 32.954 1.246 -5.284 1.00 61.41 H new ATOM 0 HG23 ILE A 117 32.048 0.239 -6.438 1.00 61.41 H new ATOM 0 HD11 ILE A 117 28.403 1.963 -7.073 1.00 71.31 H new ATOM 0 HD12 ILE A 117 29.316 2.998 -5.950 1.00 71.31 H new ATOM 0 HD13 ILE A 117 30.167 2.120 -7.243 1.00 71.31 H new ATOM 1911 N HIS A 118 33.359 -0.934 -3.784 1.00 61.45 N ATOM 1912 CA HIS A 118 34.715 -0.972 -3.242 1.00 54.13 C ATOM 1913 C HIS A 118 35.602 0.071 -3.916 1.00 22.31 C ATOM 1914 O HIS A 118 36.736 -0.222 -4.299 1.00 11.02 O ATOM 1915 CB HIS A 118 35.320 -2.363 -3.445 1.00 15.42 C ATOM 1916 CG HIS A 118 36.452 -2.564 -2.474 1.00 71.24 C ATOM 1917 ND1 HIS A 118 36.321 -2.299 -1.120 1.00 45.32 N ATOM 1918 CD2 HIS A 118 37.741 -3.004 -2.647 1.00 74.15 C ATOM 1919 CE1 HIS A 118 37.500 -2.581 -0.536 1.00 43.53 C ATOM 1920 NE2 HIS A 118 38.400 -3.014 -1.422 1.00 43.53 N ATOM 0 H HIS A 118 33.194 -1.573 -4.562 1.00 61.45 H new ATOM 0 HA HIS A 118 34.661 -0.747 -2.177 1.00 54.13 H new ATOM 0 HB2 HIS A 118 34.558 -3.128 -3.295 1.00 15.42 H new ATOM 0 HB3 HIS A 118 35.681 -2.469 -4.468 1.00 15.42 H new ATOM 0 HD2 HIS A 118 38.177 -3.298 -3.590 1.00 74.15 H new ATOM 0 HE1 HIS A 118 37.695 -2.471 0.521 1.00 43.53 H new ATOM 0 HE2 HIS A 118 39.364 -3.292 -1.240 1.00 43.53 H new ATOM 1929 N HIS A 119 35.086 1.290 -4.053 1.00 30.10 N ATOM 1930 CA HIS A 119 35.851 2.365 -4.675 1.00 35.31 C ATOM 1931 C HIS A 119 35.127 3.699 -4.529 1.00 51.42 C ATOM 1932 O HIS A 119 33.995 3.859 -4.986 1.00 61.23 O ATOM 1933 CB HIS A 119 36.079 2.069 -6.159 1.00 71.11 C ATOM 1934 CG HIS A 119 36.762 3.247 -6.801 1.00 13.32 C ATOM 1935 ND1 HIS A 119 38.138 3.418 -6.761 1.00 62.02 N ATOM 1936 CD2 HIS A 119 36.271 4.324 -7.495 1.00 51.20 C ATOM 1937 CE1 HIS A 119 38.423 4.561 -7.412 1.00 54.10 C ATOM 1938 NE2 HIS A 119 37.320 5.153 -7.880 1.00 13.43 N ATOM 0 H HIS A 119 34.151 1.556 -3.745 1.00 30.10 H new ATOM 0 HA HIS A 119 36.814 2.428 -4.168 1.00 35.31 H new ATOM 0 HB2 HIS A 119 36.689 1.173 -6.274 1.00 71.11 H new ATOM 0 HB3 HIS A 119 35.128 1.872 -6.653 1.00 71.11 H new ATOM 0 HD2 HIS A 119 35.228 4.501 -7.710 1.00 51.20 H new ATOM 0 HE1 HIS A 119 39.421 4.952 -7.541 1.00 54.10 H new ATOM 0 HE2 HIS A 119 37.260 6.025 -8.406 1.00 13.43 H new ATOM 1947 N ALA A 120 35.793 4.654 -3.891 1.00 41.41 N ATOM 1948 CA ALA A 120 35.216 5.977 -3.688 1.00 23.40 C ATOM 1949 C ALA A 120 36.284 6.945 -3.192 1.00 61.44 C ATOM 1950 O ALA A 120 37.259 6.537 -2.559 1.00 73.21 O ATOM 1951 CB ALA A 120 34.075 5.905 -2.672 1.00 63.44 C ATOM 0 H ALA A 120 36.730 4.538 -3.506 1.00 41.41 H new ATOM 0 HA ALA A 120 34.824 6.335 -4.640 1.00 23.40 H new ATOM 0 HB1 ALA A 120 33.652 6.899 -2.529 1.00 63.44 H new ATOM 0 HB2 ALA A 120 33.301 5.231 -3.041 1.00 63.44 H new ATOM 0 HB3 ALA A 120 34.457 5.533 -1.721 1.00 63.44 H new ATOM 1957 N PHE A 121 36.101 8.227 -3.484 1.00 40.31 N ATOM 1958 CA PHE A 121 37.066 9.234 -3.061 1.00 22.32 C ATOM 1959 C PHE A 121 36.360 10.428 -2.423 1.00 33.33 C ATOM 1960 O PHE A 121 35.205 10.719 -2.735 1.00 30.03 O ATOM 1961 CB PHE A 121 37.885 9.707 -4.262 1.00 62.43 C ATOM 1962 CG PHE A 121 38.803 10.824 -3.830 1.00 31.54 C ATOM 1963 CD1 PHE A 121 40.049 10.528 -3.263 1.00 54.33 C ATOM 1964 CD2 PHE A 121 38.408 12.157 -3.996 1.00 41.33 C ATOM 1965 CE1 PHE A 121 40.899 11.566 -2.862 1.00 51.32 C ATOM 1966 CE2 PHE A 121 39.258 13.194 -3.594 1.00 0.41 C ATOM 1967 CZ PHE A 121 40.503 12.899 -3.028 1.00 55.43 C ATOM 0 H PHE A 121 35.303 8.591 -4.006 1.00 40.31 H new ATOM 0 HA PHE A 121 37.728 8.784 -2.321 1.00 22.32 H new ATOM 0 HB2 PHE A 121 38.466 8.880 -4.669 1.00 62.43 H new ATOM 0 HB3 PHE A 121 37.222 10.052 -5.056 1.00 62.43 H new ATOM 0 HD1 PHE A 121 40.354 9.500 -3.135 1.00 54.33 H new ATOM 0 HD2 PHE A 121 37.448 12.385 -4.434 1.00 41.33 H new ATOM 0 HE1 PHE A 121 41.860 11.339 -2.425 1.00 51.32 H new ATOM 0 HE2 PHE A 121 38.953 14.222 -3.721 1.00 0.41 H new ATOM 0 HZ PHE A 121 41.159 13.699 -2.719 1.00 55.43 H new ATOM 1977 N GLU A 122 37.066 11.116 -1.529 1.00 54.44 N ATOM 1978 CA GLU A 122 36.501 12.278 -0.852 1.00 22.33 C ATOM 1979 C GLU A 122 35.451 12.951 -1.730 1.00 2.42 C ATOM 1980 O GLU A 122 35.614 13.047 -2.947 1.00 23.42 O ATOM 1981 CB GLU A 122 37.610 13.280 -0.517 1.00 65.42 C ATOM 1982 CG GLU A 122 38.814 12.536 0.064 1.00 24.24 C ATOM 1983 CD GLU A 122 39.247 13.187 1.373 1.00 25.03 C ATOM 1984 OE1 GLU A 122 39.840 14.252 1.315 1.00 32.54 O ATOM 1985 OE2 GLU A 122 38.980 12.611 2.415 1.00 43.52 O ATOM 0 H GLU A 122 38.023 10.891 -1.259 1.00 54.44 H new ATOM 0 HA GLU A 122 36.026 11.942 0.070 1.00 22.33 H new ATOM 0 HB2 GLU A 122 37.905 13.825 -1.414 1.00 65.42 H new ATOM 0 HB3 GLU A 122 37.245 14.017 0.199 1.00 65.42 H new ATOM 0 HG2 GLU A 122 38.558 11.491 0.236 1.00 24.24 H new ATOM 0 HG3 GLU A 122 39.639 12.549 -0.649 1.00 24.24 H new ATOM 1992 N GLY A 123 34.373 13.413 -1.105 1.00 4.51 N ATOM 1993 CA GLY A 123 33.302 14.074 -1.842 1.00 14.02 C ATOM 1994 C GLY A 123 32.511 15.017 -0.941 1.00 70.14 C ATOM 1995 O GLY A 123 33.081 15.891 -0.288 1.00 32.22 O ATOM 0 H GLY A 123 34.218 13.343 -0.099 1.00 4.51 H new ATOM 0 HA2 GLY A 123 33.724 14.633 -2.677 1.00 14.02 H new ATOM 0 HA3 GLY A 123 32.633 13.325 -2.265 1.00 14.02 H new ATOM 1999 N ASP A 124 31.192 14.838 -0.913 1.00 32.14 N ATOM 2000 CA ASP A 124 30.335 15.686 -0.091 1.00 2.15 C ATOM 2001 C ASP A 124 29.406 14.845 0.783 1.00 24.23 C ATOM 2002 O ASP A 124 29.244 15.123 1.972 1.00 34.21 O ATOM 2003 CB ASP A 124 29.504 16.609 -0.983 1.00 73.43 C ATOM 2004 CG ASP A 124 29.088 17.849 -0.201 1.00 61.40 C ATOM 2005 OD1 ASP A 124 29.960 18.631 0.140 1.00 22.24 O ATOM 2006 OD2 ASP A 124 27.903 17.999 0.047 1.00 31.34 O ATOM 0 H ASP A 124 30.698 14.121 -1.444 1.00 32.14 H new ATOM 0 HA ASP A 124 30.974 16.284 0.559 1.00 2.15 H new ATOM 0 HB2 ASP A 124 30.082 16.899 -1.860 1.00 73.43 H new ATOM 0 HB3 ASP A 124 28.620 16.082 -1.343 1.00 73.43 H new ATOM 2011 N THR A 125 28.798 13.818 0.193 1.00 62.22 N ATOM 2012 CA THR A 125 27.890 12.955 0.945 1.00 52.23 C ATOM 2013 C THR A 125 28.637 11.738 1.484 1.00 54.22 C ATOM 2014 O THR A 125 28.932 10.795 0.744 1.00 75.01 O ATOM 2015 CB THR A 125 26.727 12.505 0.057 1.00 32.05 C ATOM 2016 OG1 THR A 125 26.516 13.468 -0.966 1.00 71.40 O ATOM 2017 CG2 THR A 125 25.461 12.377 0.907 1.00 65.15 C ATOM 0 H THR A 125 28.915 13.565 -0.788 1.00 62.22 H new ATOM 0 HA THR A 125 27.492 13.523 1.786 1.00 52.23 H new ATOM 0 HB THR A 125 26.962 11.541 -0.394 1.00 32.05 H new ATOM 0 HG1 THR A 125 25.773 13.181 -1.537 1.00 71.40 H new ATOM 0 HG21 THR A 125 24.631 12.057 0.277 1.00 65.15 H new ATOM 0 HG22 THR A 125 25.624 11.641 1.694 1.00 65.15 H new ATOM 0 HG23 THR A 125 25.225 13.342 1.356 1.00 65.15 H new ATOM 2025 N PHE A 126 28.950 11.781 2.778 1.00 31.42 N ATOM 2026 CA PHE A 126 29.680 10.696 3.425 1.00 2.04 C ATOM 2027 C PHE A 126 28.877 10.095 4.576 1.00 4.45 C ATOM 2028 O PHE A 126 28.141 10.798 5.268 1.00 70.21 O ATOM 2029 CB PHE A 126 31.003 11.234 3.974 1.00 30.44 C ATOM 2030 CG PHE A 126 30.721 12.093 5.183 1.00 14.21 C ATOM 2031 CD1 PHE A 126 30.317 13.423 5.014 1.00 41.23 C ATOM 2032 CD2 PHE A 126 30.858 11.561 6.472 1.00 25.21 C ATOM 2033 CE1 PHE A 126 30.051 14.221 6.132 1.00 42.33 C ATOM 2034 CE2 PHE A 126 30.591 12.361 7.590 1.00 63.34 C ATOM 2035 CZ PHE A 126 30.188 13.691 7.420 1.00 32.44 C ATOM 0 H PHE A 126 28.709 12.555 3.397 1.00 31.42 H new ATOM 0 HA PHE A 126 29.859 9.918 2.683 1.00 2.04 H new ATOM 0 HB2 PHE A 126 31.662 10.409 4.244 1.00 30.44 H new ATOM 0 HB3 PHE A 126 31.518 11.817 3.210 1.00 30.44 H new ATOM 0 HD1 PHE A 126 30.211 13.833 4.020 1.00 41.23 H new ATOM 0 HD2 PHE A 126 31.169 10.535 6.603 1.00 25.21 H new ATOM 0 HE1 PHE A 126 29.740 15.247 6.001 1.00 42.33 H new ATOM 0 HE2 PHE A 126 30.696 11.952 8.584 1.00 63.34 H new ATOM 0 HZ PHE A 126 29.983 14.308 8.283 1.00 32.44 H new ATOM 2045 N PHE A 127 29.041 8.792 4.784 1.00 51.50 N ATOM 2046 CA PHE A 127 28.345 8.104 5.867 1.00 11.34 C ATOM 2047 C PHE A 127 29.324 7.819 7.011 1.00 5.32 C ATOM 2048 O PHE A 127 30.365 7.200 6.794 1.00 60.40 O ATOM 2049 CB PHE A 127 27.756 6.788 5.348 1.00 1.25 C ATOM 2050 CG PHE A 127 27.623 5.803 6.481 1.00 63.03 C ATOM 2051 CD1 PHE A 127 26.502 5.838 7.318 1.00 34.31 C ATOM 2052 CD2 PHE A 127 28.623 4.848 6.687 1.00 13.21 C ATOM 2053 CE1 PHE A 127 26.383 4.915 8.365 1.00 0.52 C ATOM 2054 CE2 PHE A 127 28.506 3.926 7.732 1.00 70.33 C ATOM 2055 CZ PHE A 127 27.386 3.958 8.572 1.00 22.31 C ATOM 0 H PHE A 127 29.646 8.194 4.221 1.00 51.50 H new ATOM 0 HA PHE A 127 27.538 8.737 6.236 1.00 11.34 H new ATOM 0 HB2 PHE A 127 26.781 6.969 4.896 1.00 1.25 H new ATOM 0 HB3 PHE A 127 28.397 6.375 4.569 1.00 1.25 H new ATOM 0 HD1 PHE A 127 25.730 6.576 7.157 1.00 34.31 H new ATOM 0 HD2 PHE A 127 29.486 4.822 6.039 1.00 13.21 H new ATOM 0 HE1 PHE A 127 25.519 4.941 9.012 1.00 0.52 H new ATOM 0 HE2 PHE A 127 29.279 3.189 7.891 1.00 70.33 H new ATOM 0 HZ PHE A 127 27.295 3.246 9.379 1.00 22.31 H new ATOM 2154 N ASN A 134 20.454 -3.259 11.048 1.00 71.04 N ATOM 2155 CA ASN A 134 19.771 -4.364 11.714 1.00 30.44 C ATOM 2156 C ASN A 134 18.690 -4.954 10.814 1.00 34.20 C ATOM 2157 O ASN A 134 18.003 -5.901 11.194 1.00 11.15 O ATOM 2158 CB ASN A 134 19.139 -3.879 13.020 1.00 22.20 C ATOM 2159 CG ASN A 134 18.880 -5.064 13.944 1.00 61.01 C ATOM 2160 OD1 ASN A 134 19.314 -6.180 13.658 1.00 41.23 O ATOM 2161 ND2 ASN A 134 18.194 -4.888 15.041 1.00 50.34 N ATOM 0 HA ASN A 134 20.507 -5.138 11.931 1.00 30.44 H new ATOM 0 HB2 ASN A 134 19.799 -3.163 13.509 1.00 22.20 H new ATOM 0 HB3 ASN A 134 18.204 -3.359 12.810 1.00 22.20 H new ATOM 0 HD21 ASN A 134 18.017 -5.676 15.664 1.00 50.34 H new ATOM 0 HD22 ASN A 134 17.836 -3.962 15.275 1.00 50.34 H new ATOM 2168 N TRP A 135 18.545 -4.389 9.620 1.00 44.12 N ATOM 2169 CA TRP A 135 17.543 -4.872 8.676 1.00 11.42 C ATOM 2170 C TRP A 135 17.826 -6.320 8.292 1.00 55.11 C ATOM 2171 O TRP A 135 18.967 -6.778 8.360 1.00 43.50 O ATOM 2172 CB TRP A 135 17.543 -3.998 7.420 1.00 34.40 C ATOM 2173 CG TRP A 135 16.587 -2.862 7.602 1.00 30.12 C ATOM 2174 CD1 TRP A 135 16.739 -1.853 8.490 1.00 22.12 C ATOM 2175 CD2 TRP A 135 15.339 -2.601 6.896 1.00 65.31 C ATOM 2176 NE1 TRP A 135 15.664 -0.991 8.376 1.00 71.02 N ATOM 2177 CE2 TRP A 135 14.774 -1.409 7.407 1.00 3.44 C ATOM 2178 CE3 TRP A 135 14.649 -3.277 5.873 1.00 14.01 C ATOM 2179 CZ2 TRP A 135 13.567 -0.904 6.920 1.00 61.14 C ATOM 2180 CZ3 TRP A 135 13.434 -2.771 5.381 1.00 12.03 C ATOM 2181 CH2 TRP A 135 12.895 -1.587 5.904 1.00 32.22 C ATOM 0 H TRP A 135 19.103 -3.603 9.285 1.00 44.12 H new ATOM 0 HA TRP A 135 16.565 -4.819 9.153 1.00 11.42 H new ATOM 0 HB2 TRP A 135 18.546 -3.616 7.230 1.00 34.40 H new ATOM 0 HB3 TRP A 135 17.258 -4.591 6.551 1.00 34.40 H new ATOM 0 HD1 TRP A 135 17.565 -1.739 9.176 1.00 22.12 H new ATOM 0 HE1 TRP A 135 15.543 -0.149 8.939 1.00 71.02 H new ATOM 0 HE3 TRP A 135 15.056 -4.190 5.464 1.00 14.01 H new ATOM 0 HZ2 TRP A 135 13.156 0.008 7.326 1.00 61.14 H new ATOM 0 HZ3 TRP A 135 12.912 -3.297 4.595 1.00 12.03 H new ATOM 0 HH2 TRP A 135 11.961 -1.203 5.521 1.00 32.22 H new ATOM 2192 N LYS A 136 16.782 -7.038 7.891 1.00 14.02 N ATOM 2193 CA LYS A 136 16.933 -8.434 7.500 1.00 52.32 C ATOM 2194 C LYS A 136 17.136 -8.551 5.993 1.00 3.23 C ATOM 2195 O LYS A 136 16.421 -7.924 5.209 1.00 20.21 O ATOM 2196 CB LYS A 136 15.692 -9.228 7.914 1.00 33.33 C ATOM 2197 CG LYS A 136 16.019 -10.096 9.135 1.00 75.51 C ATOM 2198 CD LYS A 136 16.662 -11.411 8.681 1.00 11.44 C ATOM 2199 CE LYS A 136 15.590 -12.349 8.116 1.00 61.02 C ATOM 2200 NZ LYS A 136 14.376 -12.309 8.980 1.00 34.11 N ATOM 0 H LYS A 136 15.829 -6.679 7.829 1.00 14.02 H new ATOM 0 HA LYS A 136 17.810 -8.840 8.004 1.00 52.32 H new ATOM 0 HB2 LYS A 136 14.874 -8.547 8.148 1.00 33.33 H new ATOM 0 HB3 LYS A 136 15.358 -9.856 7.088 1.00 33.33 H new ATOM 0 HG2 LYS A 136 16.695 -9.561 9.802 1.00 75.51 H new ATOM 0 HG3 LYS A 136 15.110 -10.301 9.700 1.00 75.51 H new ATOM 0 HD2 LYS A 136 17.420 -11.213 7.923 1.00 11.44 H new ATOM 0 HD3 LYS A 136 17.168 -11.887 9.521 1.00 11.44 H new ATOM 0 HE2 LYS A 136 15.333 -12.052 7.099 1.00 61.02 H new ATOM 0 HE3 LYS A 136 15.976 -13.367 8.063 1.00 61.02 H new ATOM 0 HZ1 LYS A 136 13.802 -13.160 8.812 1.00 34.11 H new ATOM 0 HZ2 LYS A 136 14.662 -12.276 9.979 1.00 34.11 H new ATOM 0 HZ3 LYS A 136 13.816 -11.463 8.753 1.00 34.11 H new ATOM 2214 N GLU A 137 18.115 -9.355 5.593 1.00 70.42 N ATOM 2215 CA GLU A 137 18.404 -9.543 4.177 1.00 22.22 C ATOM 2216 C GLU A 137 17.667 -10.763 3.635 1.00 35.41 C ATOM 2217 O GLU A 137 17.122 -11.562 4.397 1.00 22.05 O ATOM 2218 CB GLU A 137 19.911 -9.716 3.970 1.00 44.24 C ATOM 2219 CG GLU A 137 20.312 -11.155 4.304 1.00 62.04 C ATOM 2220 CD GLU A 137 21.831 -11.264 4.390 1.00 71.53 C ATOM 2221 OE1 GLU A 137 22.478 -10.230 4.427 1.00 44.22 O ATOM 2222 OE2 GLU A 137 22.325 -12.379 4.417 1.00 32.22 O ATOM 0 H GLU A 137 18.718 -9.883 6.224 1.00 70.42 H new ATOM 0 HA GLU A 137 18.063 -8.660 3.636 1.00 22.22 H new ATOM 0 HB2 GLU A 137 20.176 -9.484 2.938 1.00 44.24 H new ATOM 0 HB3 GLU A 137 20.458 -9.019 4.604 1.00 44.24 H new ATOM 0 HG2 GLU A 137 19.863 -11.457 5.250 1.00 62.04 H new ATOM 0 HG3 GLU A 137 19.933 -11.834 3.540 1.00 62.04 H new ATOM 2229 N VAL A 138 17.651 -10.895 2.313 1.00 74.03 N ATOM 2230 CA VAL A 138 16.975 -12.018 1.674 1.00 62.20 C ATOM 2231 C VAL A 138 17.810 -12.562 0.520 1.00 72.41 C ATOM 2232 O VAL A 138 18.072 -13.762 0.444 1.00 3.45 O ATOM 2233 CB VAL A 138 15.609 -11.574 1.148 1.00 42.42 C ATOM 2234 CG1 VAL A 138 14.607 -11.514 2.304 1.00 24.02 C ATOM 2235 CG2 VAL A 138 15.736 -10.188 0.513 1.00 71.42 C ATOM 0 H VAL A 138 18.095 -10.243 1.667 1.00 74.03 H new ATOM 0 HA VAL A 138 16.843 -12.806 2.416 1.00 62.20 H new ATOM 0 HB VAL A 138 15.258 -12.288 0.403 1.00 42.42 H new ATOM 0 HG11 VAL A 138 13.635 -11.197 1.927 1.00 24.02 H new ATOM 0 HG12 VAL A 138 14.516 -12.501 2.758 1.00 24.02 H new ATOM 0 HG13 VAL A 138 14.956 -10.801 3.051 1.00 24.02 H new ATOM 0 HG21 VAL A 138 14.764 -9.869 0.137 1.00 71.42 H new ATOM 0 HG22 VAL A 138 16.087 -9.476 1.260 1.00 71.42 H new ATOM 0 HG23 VAL A 138 16.448 -10.229 -0.312 1.00 71.42 H new ATOM 2245 N PHE A 139 18.224 -11.673 -0.378 1.00 42.21 N ATOM 2246 CA PHE A 139 19.028 -12.079 -1.525 1.00 61.05 C ATOM 2247 C PHE A 139 20.263 -11.193 -1.651 1.00 23.04 C ATOM 2248 O PHE A 139 20.260 -10.045 -1.208 1.00 14.24 O ATOM 2249 CB PHE A 139 18.192 -11.981 -2.804 1.00 45.50 C ATOM 2250 CG PHE A 139 18.938 -12.630 -3.944 1.00 32.24 C ATOM 2251 CD1 PHE A 139 18.769 -13.995 -4.206 1.00 10.25 C ATOM 2252 CD2 PHE A 139 19.798 -11.866 -4.741 1.00 23.01 C ATOM 2253 CE1 PHE A 139 19.461 -14.595 -5.265 1.00 44.34 C ATOM 2254 CE2 PHE A 139 20.490 -12.465 -5.799 1.00 12.32 C ATOM 2255 CZ PHE A 139 20.321 -13.830 -6.061 1.00 44.33 C ATOM 0 H PHE A 139 18.018 -10.675 -0.334 1.00 42.21 H new ATOM 0 HA PHE A 139 19.349 -13.110 -1.378 1.00 61.05 H new ATOM 0 HB2 PHE A 139 17.229 -12.471 -2.660 1.00 45.50 H new ATOM 0 HB3 PHE A 139 17.987 -10.936 -3.038 1.00 45.50 H new ATOM 0 HD1 PHE A 139 18.105 -14.585 -3.591 1.00 10.25 H new ATOM 0 HD2 PHE A 139 19.928 -10.813 -4.539 1.00 23.01 H new ATOM 0 HE1 PHE A 139 19.331 -15.648 -5.468 1.00 44.34 H new ATOM 0 HE2 PHE A 139 21.154 -11.875 -6.413 1.00 12.32 H new ATOM 0 HZ PHE A 139 20.855 -14.293 -6.878 1.00 44.33 H new ATOM 2265 N VAL A 140 21.320 -11.731 -2.254 1.00 0.33 N ATOM 2266 CA VAL A 140 22.553 -10.970 -2.424 1.00 62.00 C ATOM 2267 C VAL A 140 23.155 -11.218 -3.803 1.00 15.41 C ATOM 2268 O VAL A 140 23.215 -12.355 -4.270 1.00 10.02 O ATOM 2269 CB VAL A 140 23.566 -11.364 -1.349 1.00 73.34 C ATOM 2270 CG1 VAL A 140 24.726 -10.366 -1.352 1.00 52.14 C ATOM 2271 CG2 VAL A 140 22.883 -11.347 0.019 1.00 51.23 C ATOM 0 H VAL A 140 21.348 -12.679 -2.629 1.00 0.33 H new ATOM 0 HA VAL A 140 22.314 -9.911 -2.329 1.00 62.00 H new ATOM 0 HB VAL A 140 23.947 -12.364 -1.555 1.00 73.34 H new ATOM 0 HG11 VAL A 140 25.449 -10.646 -0.586 1.00 52.14 H new ATOM 0 HG12 VAL A 140 25.211 -10.374 -2.328 1.00 52.14 H new ATOM 0 HG13 VAL A 140 24.346 -9.366 -1.144 1.00 52.14 H new ATOM 0 HG21 VAL A 140 23.602 -11.628 0.788 1.00 51.23 H new ATOM 0 HG22 VAL A 140 22.504 -10.346 0.224 1.00 51.23 H new ATOM 0 HG23 VAL A 140 22.055 -12.056 0.021 1.00 51.23 H new ATOM 2281 N GLU A 141 23.605 -10.147 -4.446 1.00 72.40 N ATOM 2282 CA GLU A 141 24.206 -10.260 -5.769 1.00 42.33 C ATOM 2283 C GLU A 141 25.618 -9.682 -5.761 1.00 74.22 C ATOM 2284 O GLU A 141 25.898 -8.716 -5.052 1.00 52.25 O ATOM 2285 CB GLU A 141 23.355 -9.514 -6.798 1.00 52.22 C ATOM 2286 CG GLU A 141 23.952 -9.713 -8.192 1.00 52.12 C ATOM 2287 CD GLU A 141 23.796 -11.167 -8.623 1.00 74.52 C ATOM 2288 OE1 GLU A 141 22.673 -11.645 -8.626 1.00 23.34 O ATOM 2289 OE2 GLU A 141 24.800 -11.781 -8.943 1.00 73.22 O ATOM 0 H GLU A 141 23.566 -9.197 -4.076 1.00 72.40 H new ATOM 0 HA GLU A 141 24.254 -11.315 -6.038 1.00 42.33 H new ATOM 0 HB2 GLU A 141 22.329 -9.882 -6.774 1.00 52.22 H new ATOM 0 HB3 GLU A 141 23.318 -8.452 -6.554 1.00 52.22 H new ATOM 0 HG2 GLU A 141 23.454 -9.058 -8.907 1.00 52.12 H new ATOM 0 HG3 GLU A 141 25.007 -9.437 -8.188 1.00 52.12 H new ATOM 2296 N LYS A 142 26.503 -10.277 -6.556 1.00 31.45 N ATOM 2297 CA LYS A 142 27.882 -9.804 -6.631 1.00 62.41 C ATOM 2298 C LYS A 142 28.163 -9.189 -7.999 1.00 15.14 C ATOM 2299 O LYS A 142 27.541 -9.556 -8.995 1.00 63.14 O ATOM 2300 CB LYS A 142 28.861 -10.957 -6.346 1.00 65.11 C ATOM 2301 CG LYS A 142 29.183 -11.738 -7.631 1.00 73.10 C ATOM 2302 CD LYS A 142 27.902 -12.385 -8.180 1.00 23.32 C ATOM 2303 CE LYS A 142 28.158 -13.847 -8.570 1.00 34.02 C ATOM 2304 NZ LYS A 142 28.722 -13.904 -9.948 1.00 65.13 N ATOM 0 H LYS A 142 26.294 -11.078 -7.151 1.00 31.45 H new ATOM 0 HA LYS A 142 28.025 -9.034 -5.873 1.00 62.41 H new ATOM 0 HB2 LYS A 142 29.781 -10.560 -5.918 1.00 65.11 H new ATOM 0 HB3 LYS A 142 28.429 -11.630 -5.606 1.00 65.11 H new ATOM 0 HG2 LYS A 142 29.612 -11.069 -8.377 1.00 73.10 H new ATOM 0 HG3 LYS A 142 29.929 -12.505 -7.424 1.00 73.10 H new ATOM 0 HD2 LYS A 142 27.113 -12.336 -7.429 1.00 23.32 H new ATOM 0 HD3 LYS A 142 27.550 -11.828 -9.048 1.00 23.32 H new ATOM 0 HE2 LYS A 142 28.849 -14.307 -7.864 1.00 34.02 H new ATOM 0 HE3 LYS A 142 27.229 -14.415 -8.522 1.00 34.02 H new ATOM 0 HZ1 LYS A 142 28.895 -14.895 -10.212 1.00 65.13 H new ATOM 0 HZ2 LYS A 142 28.048 -13.481 -10.617 1.00 65.13 H new ATOM 0 HZ3 LYS A 142 29.618 -13.376 -9.979 1.00 65.13 H new ATOM 2318 N GLY A 143 29.102 -8.248 -8.037 1.00 33.20 N ATOM 2319 CA GLY A 143 29.455 -7.584 -9.285 1.00 72.41 C ATOM 2320 C GLY A 143 30.772 -8.118 -9.836 1.00 25.31 C ATOM 2321 O GLY A 143 31.181 -9.238 -9.525 1.00 0.24 O ATOM 0 H GLY A 143 29.628 -7.931 -7.223 1.00 33.20 H new ATOM 0 HA2 GLY A 143 28.662 -7.735 -10.018 1.00 72.41 H new ATOM 0 HA3 GLY A 143 29.535 -6.510 -9.119 1.00 72.41 H new ATOM 2325 N LEU A 144 31.434 -7.306 -10.653 1.00 52.11 N ATOM 2326 CA LEU A 144 32.708 -7.698 -11.244 1.00 42.30 C ATOM 2327 C LEU A 144 33.328 -6.524 -11.993 1.00 42.42 C ATOM 2328 O LEU A 144 32.654 -5.535 -12.279 1.00 45.44 O ATOM 2329 CB LEU A 144 32.499 -8.869 -12.204 1.00 20.04 C ATOM 2330 CG LEU A 144 33.685 -9.827 -12.105 1.00 62.21 C ATOM 2331 CD1 LEU A 144 33.448 -10.821 -10.965 1.00 63.54 C ATOM 2332 CD2 LEU A 144 33.832 -10.587 -13.426 1.00 41.52 C ATOM 0 H LEU A 144 31.111 -6.376 -10.920 1.00 52.11 H new ATOM 0 HA LEU A 144 33.384 -8.003 -10.445 1.00 42.30 H new ATOM 0 HB2 LEU A 144 31.574 -9.392 -11.961 1.00 20.04 H new ATOM 0 HB3 LEU A 144 32.398 -8.502 -13.225 1.00 20.04 H new ATOM 0 HG LEU A 144 34.595 -9.262 -11.906 1.00 62.21 H new ATOM 0 HD11 LEU A 144 34.295 -11.504 -10.896 1.00 63.54 H new ATOM 0 HD12 LEU A 144 33.341 -10.279 -10.026 1.00 63.54 H new ATOM 0 HD13 LEU A 144 32.539 -11.389 -11.161 1.00 63.54 H new ATOM 0 HD21 LEU A 144 34.677 -11.272 -13.360 1.00 41.52 H new ATOM 0 HD22 LEU A 144 32.921 -11.153 -13.624 1.00 41.52 H new ATOM 0 HD23 LEU A 144 34.002 -9.878 -14.237 1.00 41.52 H new ATOM 2344 N THR A 145 34.614 -6.637 -12.307 1.00 34.04 N ATOM 2345 CA THR A 145 35.307 -5.570 -13.021 1.00 14.51 C ATOM 2346 C THR A 145 34.961 -5.603 -14.508 1.00 72.24 C ATOM 2347 O THR A 145 34.431 -6.595 -15.009 1.00 25.32 O ATOM 2348 CB THR A 145 36.821 -5.719 -12.847 1.00 30.20 C ATOM 2349 OG1 THR A 145 37.485 -5.065 -13.921 1.00 11.12 O ATOM 2350 CG2 THR A 145 37.190 -7.202 -12.843 1.00 22.35 C ATOM 0 H THR A 145 35.192 -7.446 -12.082 1.00 34.04 H new ATOM 0 HA THR A 145 34.985 -4.616 -12.605 1.00 14.51 H new ATOM 0 HB THR A 145 37.127 -5.269 -11.903 1.00 30.20 H new ATOM 0 HG1 THR A 145 38.454 -5.157 -13.811 1.00 11.12 H new ATOM 0 HG21 THR A 145 38.268 -7.308 -12.719 1.00 22.35 H new ATOM 0 HG22 THR A 145 36.679 -7.702 -12.020 1.00 22.35 H new ATOM 0 HG23 THR A 145 36.887 -7.655 -13.787 1.00 22.35 H new ATOM 2358 N ASP A 146 35.268 -4.513 -15.207 1.00 23.13 N ATOM 2359 CA ASP A 146 34.989 -4.426 -16.637 1.00 43.32 C ATOM 2360 C ASP A 146 36.048 -3.580 -17.334 1.00 70.43 C ATOM 2361 O ASP A 146 36.795 -2.848 -16.685 1.00 44.10 O ATOM 2362 CB ASP A 146 33.608 -3.810 -16.865 1.00 43.15 C ATOM 2363 CG ASP A 146 33.065 -4.236 -18.225 1.00 33.21 C ATOM 2364 OD1 ASP A 146 33.851 -4.332 -19.153 1.00 10.31 O ATOM 2365 OD2 ASP A 146 31.869 -4.459 -18.318 1.00 73.05 O ATOM 0 H ASP A 146 35.707 -3.683 -14.809 1.00 23.13 H new ATOM 0 HA ASP A 146 35.008 -5.432 -17.055 1.00 43.32 H new ATOM 0 HB2 ASP A 146 32.925 -4.126 -16.076 1.00 43.15 H new ATOM 0 HB3 ASP A 146 33.673 -2.723 -16.814 1.00 43.15 H new ATOM 2370 N GLU A 147 36.108 -3.685 -18.656 1.00 12.10 N ATOM 2371 CA GLU A 147 37.082 -2.924 -19.426 1.00 22.21 C ATOM 2372 C GLU A 147 36.846 -1.427 -19.256 1.00 72.34 C ATOM 2373 O GLU A 147 37.794 -0.651 -19.135 1.00 71.54 O ATOM 2374 CB GLU A 147 36.983 -3.294 -20.906 1.00 40.00 C ATOM 2375 CG GLU A 147 38.218 -2.773 -21.643 1.00 52.44 C ATOM 2376 CD GLU A 147 39.477 -3.419 -21.073 1.00 75.14 C ATOM 2377 OE1 GLU A 147 39.489 -4.632 -20.942 1.00 23.21 O ATOM 2378 OE2 GLU A 147 40.410 -2.691 -20.776 1.00 35.45 O ATOM 0 H GLU A 147 35.499 -4.285 -19.213 1.00 12.10 H new ATOM 0 HA GLU A 147 38.079 -3.168 -19.058 1.00 22.21 H new ATOM 0 HB2 GLU A 147 36.909 -4.376 -21.018 1.00 40.00 H new ATOM 0 HB3 GLU A 147 36.079 -2.866 -21.340 1.00 40.00 H new ATOM 0 HG2 GLU A 147 38.136 -2.993 -22.707 1.00 52.44 H new ATOM 0 HG3 GLU A 147 38.279 -1.689 -21.546 1.00 52.44 H new ATOM 2385 N LYS A 148 35.579 -1.029 -19.245 1.00 44.14 N ATOM 2386 CA LYS A 148 35.234 0.378 -19.088 1.00 63.10 C ATOM 2387 C LYS A 148 35.101 0.739 -17.612 1.00 21.03 C ATOM 2388 O LYS A 148 35.171 1.911 -17.241 1.00 65.41 O ATOM 2389 CB LYS A 148 33.916 0.676 -19.805 1.00 13.30 C ATOM 2390 CG LYS A 148 32.856 -0.343 -19.376 1.00 24.23 C ATOM 2391 CD LYS A 148 32.550 -1.287 -20.542 1.00 34.13 C ATOM 2392 CE LYS A 148 31.581 -0.605 -21.511 1.00 62.24 C ATOM 2393 NZ LYS A 148 31.588 -1.328 -22.814 1.00 24.01 N ATOM 0 H LYS A 148 34.780 -1.655 -19.342 1.00 44.14 H new ATOM 0 HA LYS A 148 36.032 0.977 -19.527 1.00 63.10 H new ATOM 0 HB2 LYS A 148 33.581 1.686 -19.568 1.00 13.30 H new ATOM 0 HB3 LYS A 148 34.060 0.634 -20.885 1.00 13.30 H new ATOM 0 HG2 LYS A 148 33.211 -0.913 -18.517 1.00 24.23 H new ATOM 0 HG3 LYS A 148 31.947 0.172 -19.063 1.00 24.23 H new ATOM 0 HD2 LYS A 148 33.472 -1.553 -21.060 1.00 34.13 H new ATOM 0 HD3 LYS A 148 32.115 -2.214 -20.169 1.00 34.13 H new ATOM 0 HE2 LYS A 148 30.575 -0.599 -21.092 1.00 62.24 H new ATOM 0 HE3 LYS A 148 31.870 0.435 -21.659 1.00 62.24 H new ATOM 0 HZ1 LYS A 148 30.929 -0.864 -23.472 1.00 24.01 H new ATOM 0 HZ2 LYS A 148 32.547 -1.311 -23.215 1.00 24.01 H new ATOM 0 HZ3 LYS A 148 31.292 -2.314 -22.666 1.00 24.01 H new ATOM 2407 N ASN A 149 34.905 -0.273 -16.776 1.00 14.12 N ATOM 2408 CA ASN A 149 34.759 -0.050 -15.342 1.00 74.42 C ATOM 2409 C ASN A 149 35.598 -1.053 -14.555 1.00 31.21 C ATOM 2410 O ASN A 149 35.075 -2.034 -14.027 1.00 41.50 O ATOM 2411 CB ASN A 149 33.288 -0.188 -14.941 1.00 43.30 C ATOM 2412 CG ASN A 149 32.515 1.060 -15.351 1.00 53.32 C ATOM 2413 OD1 ASN A 149 32.422 1.370 -16.615 1.00 74.44 O flip ATOM 2414 ND2 ASN A 149 31.980 1.769 -14.499 1.00 54.05 N flip ATOM 0 H ASN A 149 34.844 -1.250 -17.063 1.00 14.12 H new ATOM 0 HA ASN A 149 35.107 0.957 -15.112 1.00 74.42 H new ATOM 0 HB2 ASN A 149 32.854 -1.067 -15.417 1.00 43.30 H new ATOM 0 HB3 ASN A 149 33.209 -0.337 -13.864 1.00 43.30 H new ATOM 0 HD21 ASN A 149 32.054 1.524 -13.512 1.00 54.05 H new ATOM 0 HD22 ASN A 149 31.462 2.602 -14.780 1.00 54.05 H new ATOM 2421 N PRO A 150 36.882 -0.825 -14.470 1.00 34.42 N ATOM 2422 CA PRO A 150 37.811 -1.727 -13.732 1.00 74.21 C ATOM 2423 C PRO A 150 37.682 -1.572 -12.218 1.00 34.14 C ATOM 2424 O PRO A 150 38.509 -0.923 -11.577 1.00 64.51 O ATOM 2425 CB PRO A 150 39.196 -1.292 -14.213 1.00 5.21 C ATOM 2426 CG PRO A 150 39.044 0.132 -14.636 1.00 3.40 C ATOM 2427 CD PRO A 150 37.588 0.320 -15.069 1.00 11.23 C ATOM 0 HA PRO A 150 37.601 -2.779 -13.925 1.00 74.21 H new ATOM 0 HB2 PRO A 150 39.935 -1.388 -13.418 1.00 5.21 H new ATOM 0 HB3 PRO A 150 39.536 -1.913 -15.042 1.00 5.21 H new ATOM 0 HG2 PRO A 150 39.292 0.806 -13.816 1.00 3.40 H new ATOM 0 HG3 PRO A 150 39.723 0.365 -15.456 1.00 3.40 H new ATOM 0 HD2 PRO A 150 37.185 1.268 -14.711 1.00 11.23 H new ATOM 0 HD3 PRO A 150 37.493 0.323 -16.155 1.00 11.23 H new ATOM 2435 N TYR A 151 36.639 -2.174 -11.654 1.00 51.41 N ATOM 2436 CA TYR A 151 36.411 -2.096 -10.216 1.00 64.23 C ATOM 2437 C TYR A 151 35.668 -3.332 -9.719 1.00 3.42 C ATOM 2438 O TYR A 151 35.602 -4.350 -10.408 1.00 54.32 O ATOM 2439 CB TYR A 151 35.597 -0.844 -9.883 1.00 55.41 C ATOM 2440 CG TYR A 151 36.397 0.388 -10.237 1.00 13.02 C ATOM 2441 CD1 TYR A 151 37.563 0.695 -9.524 1.00 65.53 C ATOM 2442 CD2 TYR A 151 35.972 1.223 -11.277 1.00 53.22 C ATOM 2443 CE1 TYR A 151 38.302 1.838 -9.852 1.00 43.11 C ATOM 2444 CE2 TYR A 151 36.712 2.365 -11.605 1.00 64.42 C ATOM 2445 CZ TYR A 151 37.877 2.672 -10.892 1.00 33.13 C ATOM 2446 OH TYR A 151 38.606 3.798 -11.215 1.00 75.14 O ATOM 0 H TYR A 151 35.944 -2.717 -12.166 1.00 51.41 H new ATOM 0 HA TYR A 151 37.380 -2.045 -9.719 1.00 64.23 H new ATOM 0 HB2 TYR A 151 34.657 -0.851 -10.435 1.00 55.41 H new ATOM 0 HB3 TYR A 151 35.344 -0.834 -8.823 1.00 55.41 H new ATOM 0 HD1 TYR A 151 37.892 0.051 -8.722 1.00 65.53 H new ATOM 0 HD2 TYR A 151 35.073 0.986 -11.826 1.00 53.22 H new ATOM 0 HE1 TYR A 151 39.200 2.076 -9.302 1.00 43.11 H new ATOM 0 HE2 TYR A 151 36.384 3.009 -12.408 1.00 64.42 H new ATOM 0 HH TYR A 151 38.174 4.265 -11.960 1.00 75.14 H new ATOM 2456 N THR A 152 35.111 -3.233 -8.516 1.00 40.24 N ATOM 2457 CA THR A 152 34.373 -4.345 -7.927 1.00 31.33 C ATOM 2458 C THR A 152 33.343 -3.830 -6.926 1.00 60.22 C ATOM 2459 O THR A 152 33.661 -3.019 -6.057 1.00 61.42 O ATOM 2460 CB THR A 152 35.340 -5.298 -7.221 1.00 70.44 C ATOM 2461 OG1 THR A 152 36.354 -5.700 -8.131 1.00 1.21 O ATOM 2462 CG2 THR A 152 34.576 -6.527 -6.725 1.00 20.35 C ATOM 0 H THR A 152 35.156 -2.398 -7.932 1.00 40.24 H new ATOM 0 HA THR A 152 33.856 -4.878 -8.725 1.00 31.33 H new ATOM 0 HB THR A 152 35.796 -4.791 -6.371 1.00 70.44 H new ATOM 0 HG1 THR A 152 36.975 -6.309 -7.680 1.00 1.21 H new ATOM 0 HG21 THR A 152 35.265 -7.205 -6.222 1.00 20.35 H new ATOM 0 HG22 THR A 152 33.799 -6.215 -6.026 1.00 20.35 H new ATOM 0 HG23 THR A 152 34.118 -7.037 -7.572 1.00 20.35 H new ATOM 2470 N TYR A 153 32.108 -4.304 -7.056 1.00 53.34 N ATOM 2471 CA TYR A 153 31.042 -3.878 -6.155 1.00 53.11 C ATOM 2472 C TYR A 153 30.090 -5.033 -5.854 1.00 60.33 C ATOM 2473 O TYR A 153 30.137 -6.076 -6.507 1.00 65.31 O ATOM 2474 CB TYR A 153 30.262 -2.719 -6.778 1.00 45.31 C ATOM 2475 CG TYR A 153 30.131 -2.939 -8.265 1.00 60.40 C ATOM 2476 CD1 TYR A 153 29.102 -3.746 -8.764 1.00 34.25 C ATOM 2477 CD2 TYR A 153 31.037 -2.336 -9.145 1.00 20.22 C ATOM 2478 CE1 TYR A 153 28.980 -3.951 -10.143 1.00 4.45 C ATOM 2479 CE2 TYR A 153 30.915 -2.541 -10.524 1.00 3.43 C ATOM 2480 CZ TYR A 153 29.886 -3.348 -11.023 1.00 25.12 C ATOM 2481 OH TYR A 153 29.767 -3.552 -12.383 1.00 44.51 O ATOM 0 H TYR A 153 31.822 -4.976 -7.768 1.00 53.34 H new ATOM 0 HA TYR A 153 31.497 -3.550 -5.221 1.00 53.11 H new ATOM 0 HB2 TYR A 153 29.274 -2.646 -6.323 1.00 45.31 H new ATOM 0 HB3 TYR A 153 30.774 -1.777 -6.583 1.00 45.31 H new ATOM 0 HD1 TYR A 153 28.402 -4.210 -8.085 1.00 34.25 H new ATOM 0 HD2 TYR A 153 31.830 -1.712 -8.760 1.00 20.22 H new ATOM 0 HE1 TYR A 153 28.187 -4.575 -10.528 1.00 4.45 H new ATOM 0 HE2 TYR A 153 31.615 -2.077 -11.203 1.00 3.43 H new ATOM 0 HH TYR A 153 30.475 -3.061 -12.851 1.00 44.51 H new ATOM 2491 N TYR A 154 29.230 -4.838 -4.859 1.00 42.13 N ATOM 2492 CA TYR A 154 28.272 -5.870 -4.475 1.00 64.41 C ATOM 2493 C TYR A 154 26.904 -5.260 -4.177 1.00 11.23 C ATOM 2494 O TYR A 154 26.797 -4.077 -3.849 1.00 61.10 O ATOM 2495 CB TYR A 154 28.777 -6.615 -3.238 1.00 34.54 C ATOM 2496 CG TYR A 154 30.228 -6.987 -3.427 1.00 34.24 C ATOM 2497 CD1 TYR A 154 31.215 -5.994 -3.402 1.00 74.45 C ATOM 2498 CD2 TYR A 154 30.588 -8.325 -3.627 1.00 11.41 C ATOM 2499 CE1 TYR A 154 32.561 -6.339 -3.577 1.00 41.30 C ATOM 2500 CE2 TYR A 154 31.933 -8.671 -3.803 1.00 11.33 C ATOM 2501 CZ TYR A 154 32.920 -7.678 -3.778 1.00 54.23 C ATOM 2502 OH TYR A 154 34.246 -8.019 -3.951 1.00 34.34 O ATOM 0 H TYR A 154 29.176 -3.982 -4.307 1.00 42.13 H new ATOM 0 HA TYR A 154 28.170 -6.566 -5.307 1.00 64.41 H new ATOM 0 HB2 TYR A 154 28.664 -5.989 -2.353 1.00 34.54 H new ATOM 0 HB3 TYR A 154 28.180 -7.512 -3.072 1.00 34.54 H new ATOM 0 HD1 TYR A 154 30.938 -4.962 -3.248 1.00 74.45 H new ATOM 0 HD2 TYR A 154 29.827 -9.091 -3.646 1.00 11.41 H new ATOM 0 HE1 TYR A 154 33.322 -5.573 -3.557 1.00 41.30 H new ATOM 0 HE2 TYR A 154 32.209 -9.703 -3.958 1.00 11.33 H new ATOM 0 HH TYR A 154 34.321 -8.988 -4.077 1.00 34.34 H new ATOM 2512 N TYR A 155 25.861 -6.078 -4.291 1.00 21.24 N ATOM 2513 CA TYR A 155 24.500 -5.616 -4.031 1.00 35.05 C ATOM 2514 C TYR A 155 23.890 -6.390 -2.866 1.00 63.52 C ATOM 2515 O TYR A 155 24.109 -7.594 -2.727 1.00 44.41 O ATOM 2516 CB TYR A 155 23.640 -5.814 -5.282 1.00 74.21 C ATOM 2517 CG TYR A 155 22.648 -4.680 -5.410 1.00 65.31 C ATOM 2518 CD1 TYR A 155 21.615 -4.542 -4.474 1.00 34.20 C ATOM 2519 CD2 TYR A 155 22.758 -3.771 -6.470 1.00 20.42 C ATOM 2520 CE1 TYR A 155 20.693 -3.496 -4.598 1.00 5.43 C ATOM 2521 CE2 TYR A 155 21.835 -2.725 -6.594 1.00 22.34 C ATOM 2522 CZ TYR A 155 20.803 -2.587 -5.658 1.00 51.54 C ATOM 2523 OH TYR A 155 19.893 -1.557 -5.781 1.00 4.30 O ATOM 0 H TYR A 155 25.931 -7.059 -4.560 1.00 21.24 H new ATOM 0 HA TYR A 155 24.533 -4.557 -3.774 1.00 35.05 H new ATOM 0 HB2 TYR A 155 24.275 -5.855 -6.167 1.00 74.21 H new ATOM 0 HB3 TYR A 155 23.112 -6.766 -5.224 1.00 74.21 H new ATOM 0 HD1 TYR A 155 21.530 -5.243 -3.657 1.00 34.20 H new ATOM 0 HD2 TYR A 155 23.555 -3.877 -7.192 1.00 20.42 H new ATOM 0 HE1 TYR A 155 19.897 -3.390 -3.876 1.00 5.43 H new ATOM 0 HE2 TYR A 155 21.919 -2.025 -7.412 1.00 22.34 H new ATOM 0 HH TYR A 155 20.350 -0.700 -5.654 1.00 4.30 H new ATOM 2533 N HIS A 156 23.121 -5.697 -2.031 1.00 75.13 N ATOM 2534 CA HIS A 156 22.485 -6.340 -0.886 1.00 13.51 C ATOM 2535 C HIS A 156 20.990 -6.021 -0.860 1.00 53.41 C ATOM 2536 O HIS A 156 20.588 -4.872 -1.041 1.00 3.11 O ATOM 2537 CB HIS A 156 23.179 -5.896 0.413 1.00 71.10 C ATOM 2538 CG HIS A 156 22.424 -4.784 1.090 1.00 15.02 C ATOM 2539 ND1 HIS A 156 21.048 -4.799 1.254 1.00 0.34 N ATOM 2540 CD2 HIS A 156 22.856 -3.623 1.680 1.00 35.42 C ATOM 2541 CE1 HIS A 156 20.707 -3.680 1.917 1.00 74.33 C ATOM 2542 NE2 HIS A 156 21.771 -2.930 2.203 1.00 40.40 N ATOM 0 H HIS A 156 22.925 -4.700 -2.124 1.00 75.13 H new ATOM 0 HA HIS A 156 22.590 -7.421 -0.974 1.00 13.51 H new ATOM 0 HB2 HIS A 156 23.263 -6.746 1.091 1.00 71.10 H new ATOM 0 HB3 HIS A 156 24.193 -5.565 0.190 1.00 71.10 H new ATOM 0 HD2 HIS A 156 23.884 -3.297 1.730 1.00 35.42 H new ATOM 0 HE1 HIS A 156 19.694 -3.420 2.185 1.00 74.33 H new ATOM 0 HE2 HIS A 156 21.786 -2.039 2.699 1.00 40.40 H new ATOM 2551 N VAL A 157 20.170 -7.052 -0.655 1.00 4.32 N ATOM 2552 CA VAL A 157 18.717 -6.876 -0.635 1.00 71.20 C ATOM 2553 C VAL A 157 18.155 -6.970 0.784 1.00 42.04 C ATOM 2554 O VAL A 157 18.202 -8.027 1.413 1.00 62.30 O ATOM 2555 CB VAL A 157 18.062 -7.946 -1.511 1.00 12.02 C ATOM 2556 CG1 VAL A 157 16.551 -7.718 -1.559 1.00 4.22 C ATOM 2557 CG2 VAL A 157 18.635 -7.865 -2.928 1.00 10.44 C ATOM 0 H VAL A 157 20.483 -8.010 -0.502 1.00 4.32 H new ATOM 0 HA VAL A 157 18.494 -5.881 -1.021 1.00 71.20 H new ATOM 0 HB VAL A 157 18.265 -8.931 -1.091 1.00 12.02 H new ATOM 0 HG11 VAL A 157 16.087 -8.482 -2.184 1.00 4.22 H new ATOM 0 HG12 VAL A 157 16.142 -7.777 -0.550 1.00 4.22 H new ATOM 0 HG13 VAL A 157 16.345 -6.733 -1.977 1.00 4.22 H new ATOM 0 HG21 VAL A 157 18.169 -8.627 -3.553 1.00 10.44 H new ATOM 0 HG22 VAL A 157 18.433 -6.879 -3.346 1.00 10.44 H new ATOM 0 HG23 VAL A 157 19.712 -8.031 -2.895 1.00 10.44 H new ATOM 2567 N TYR A 158 17.612 -5.856 1.275 1.00 12.23 N ATOM 2568 CA TYR A 158 17.023 -5.806 2.616 1.00 71.31 C ATOM 2569 C TYR A 158 15.503 -5.668 2.506 1.00 41.31 C ATOM 2570 O TYR A 158 14.991 -5.148 1.515 1.00 21.05 O ATOM 2571 CB TYR A 158 17.583 -4.607 3.388 1.00 43.11 C ATOM 2572 CG TYR A 158 18.978 -4.878 3.938 1.00 12.14 C ATOM 2573 CD1 TYR A 158 19.719 -6.006 3.545 1.00 61.13 C ATOM 2574 CD2 TYR A 158 19.537 -3.967 4.845 1.00 53.02 C ATOM 2575 CE1 TYR A 158 21.005 -6.215 4.060 1.00 45.35 C ATOM 2576 CE2 TYR A 158 20.822 -4.179 5.358 1.00 51.11 C ATOM 2577 CZ TYR A 158 21.556 -5.303 4.966 1.00 60.32 C ATOM 2578 OH TYR A 158 22.824 -5.510 5.470 1.00 64.21 O ATOM 0 H TYR A 158 17.567 -4.974 0.764 1.00 12.23 H new ATOM 0 HA TYR A 158 17.271 -6.726 3.146 1.00 71.31 H new ATOM 0 HB2 TYR A 158 17.616 -3.737 2.732 1.00 43.11 H new ATOM 0 HB3 TYR A 158 16.911 -4.361 4.210 1.00 43.11 H new ATOM 0 HD1 TYR A 158 19.297 -6.712 2.845 1.00 61.13 H new ATOM 0 HD2 TYR A 158 18.974 -3.097 5.149 1.00 53.02 H new ATOM 0 HE1 TYR A 158 21.572 -7.082 3.757 1.00 45.35 H new ATOM 0 HE2 TYR A 158 21.247 -3.474 6.057 1.00 51.11 H new ATOM 0 HH TYR A 158 23.054 -4.782 6.085 1.00 64.21 H new ATOM 2588 N GLU A 159 14.785 -6.137 3.525 1.00 42.43 N ATOM 2589 CA GLU A 159 13.325 -6.055 3.516 1.00 40.32 C ATOM 2590 C GLU A 159 12.774 -6.064 4.939 1.00 62.41 C ATOM 2591 O GLU A 159 13.327 -6.715 5.825 1.00 72.21 O ATOM 2592 CB GLU A 159 12.740 -7.233 2.732 1.00 14.23 C ATOM 2593 CG GLU A 159 12.841 -8.510 3.568 1.00 65.11 C ATOM 2594 CD GLU A 159 11.668 -8.593 4.540 1.00 72.54 C ATOM 2595 OE1 GLU A 159 10.548 -8.735 4.076 1.00 21.52 O ATOM 2596 OE2 GLU A 159 11.906 -8.514 5.733 1.00 1.31 O ATOM 0 H GLU A 159 15.183 -6.572 4.357 1.00 42.43 H new ATOM 0 HA GLU A 159 13.038 -5.120 3.036 1.00 40.32 H new ATOM 0 HB2 GLU A 159 11.698 -7.033 2.480 1.00 14.23 H new ATOM 0 HB3 GLU A 159 13.277 -7.359 1.792 1.00 14.23 H new ATOM 0 HG2 GLU A 159 12.845 -9.383 2.915 1.00 65.11 H new ATOM 0 HG3 GLU A 159 13.782 -8.520 4.119 1.00 65.11 H new ATOM 2603 N LYS A 160 11.680 -5.336 5.148 1.00 10.22 N ATOM 2604 CA LYS A 160 11.060 -5.266 6.467 1.00 11.35 C ATOM 2605 C LYS A 160 10.236 -6.522 6.735 1.00 70.30 C ATOM 2606 O LYS A 160 9.818 -7.213 5.806 1.00 2.20 O ATOM 2607 CB LYS A 160 10.160 -4.030 6.558 1.00 2.22 C ATOM 2608 CG LYS A 160 10.453 -3.277 7.859 1.00 14.45 C ATOM 2609 CD LYS A 160 9.243 -2.424 8.245 1.00 34.03 C ATOM 2610 CE LYS A 160 8.269 -3.267 9.069 1.00 42.34 C ATOM 2611 NZ LYS A 160 8.942 -3.724 10.319 1.00 2.31 N ATOM 0 H LYS A 160 11.208 -4.790 4.427 1.00 10.22 H new ATOM 0 HA LYS A 160 11.848 -5.194 7.217 1.00 11.35 H new ATOM 0 HB2 LYS A 160 10.333 -3.378 5.702 1.00 2.22 H new ATOM 0 HB3 LYS A 160 9.112 -4.328 6.526 1.00 2.22 H new ATOM 0 HG2 LYS A 160 10.681 -3.984 8.656 1.00 14.45 H new ATOM 0 HG3 LYS A 160 11.331 -2.644 7.734 1.00 14.45 H new ATOM 0 HD2 LYS A 160 9.565 -1.555 8.819 1.00 34.03 H new ATOM 0 HD3 LYS A 160 8.748 -2.049 7.349 1.00 34.03 H new ATOM 0 HE2 LYS A 160 7.382 -2.682 9.314 1.00 42.34 H new ATOM 0 HE3 LYS A 160 7.934 -4.127 8.488 1.00 42.34 H new ATOM 0 HZ1 LYS A 160 9.033 -4.760 10.306 1.00 2.31 H new ATOM 0 HZ2 LYS A 160 9.887 -3.295 10.381 1.00 2.31 H new ATOM 0 HZ3 LYS A 160 8.376 -3.437 11.143 1.00 2.31 H new ATOM 2625 N GLN A 161 10.009 -6.813 8.012 1.00 43.04 N ATOM 2626 CA GLN A 161 9.238 -7.992 8.391 1.00 54.14 C ATOM 2627 C GLN A 161 7.764 -7.808 8.044 1.00 64.42 C ATOM 2628 O GLN A 161 6.912 -8.573 8.497 1.00 34.34 O ATOM 2629 CB GLN A 161 9.381 -8.249 9.891 1.00 51.42 C ATOM 2630 CG GLN A 161 10.818 -7.956 10.326 1.00 3.41 C ATOM 2631 CD GLN A 161 10.943 -6.499 10.758 1.00 71.42 C ATOM 2632 OE1 GLN A 161 10.286 -6.074 11.708 1.00 61.34 O ATOM 2633 NE2 GLN A 161 11.752 -5.704 10.113 1.00 4.43 N ATOM 0 H GLN A 161 10.345 -6.254 8.796 1.00 43.04 H new ATOM 0 HA GLN A 161 9.625 -8.847 7.836 1.00 54.14 H new ATOM 0 HB2 GLN A 161 8.686 -7.619 10.446 1.00 51.42 H new ATOM 0 HB3 GLN A 161 9.125 -9.284 10.119 1.00 51.42 H new ATOM 0 HG2 GLN A 161 11.099 -8.614 11.148 1.00 3.41 H new ATOM 0 HG3 GLN A 161 11.505 -8.161 9.505 1.00 3.41 H new ATOM 0 HE21 GLN A 161 12.295 -6.059 9.326 1.00 4.43 H new ATOM 0 HE22 GLN A 161 11.841 -4.728 10.396 1.00 4.43 H new ATOM 2642 N GLN A 162 7.467 -6.793 7.239 1.00 64.42 N ATOM 2643 CA GLN A 162 6.089 -6.528 6.843 1.00 41.14 C ATOM 2644 C GLN A 162 5.138 -6.779 8.009 1.00 21.32 C ATOM 2645 O GLN A 162 4.208 -7.548 7.834 1.00 22.23 O ATOM 2646 CB GLN A 162 5.703 -7.430 5.669 1.00 74.31 C ATOM 2647 CG GLN A 162 6.307 -6.876 4.378 1.00 53.24 C ATOM 2648 CD GLN A 162 6.012 -7.822 3.219 1.00 62.32 C ATOM 2649 OE1 GLN A 162 6.794 -8.732 2.944 1.00 64.44 O ATOM 2650 NE2 GLN A 162 4.922 -7.661 2.520 1.00 63.23 N ATOM 0 H GLN A 162 8.154 -6.147 6.852 1.00 64.42 H new ATOM 0 HA GLN A 162 6.012 -5.483 6.543 1.00 41.14 H new ATOM 0 HB2 GLN A 162 6.061 -8.445 5.844 1.00 74.31 H new ATOM 0 HB3 GLN A 162 4.618 -7.485 5.581 1.00 74.31 H new ATOM 0 HG2 GLN A 162 5.894 -5.889 4.167 1.00 53.24 H new ATOM 0 HG3 GLN A 162 7.384 -6.753 4.494 1.00 53.24 H new ATOM 0 HE21 GLN A 162 4.276 -6.906 2.750 1.00 63.23 H new ATOM 0 HE22 GLN A 162 4.716 -8.290 1.744 1.00 63.23 H new