USER MOD reduce.3.24.130724 H: found=0, std=0, add=992, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 989 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 92 TYR OH : rot 165:sc= 0.603 USER MOD Set 1.2: A 115 LYS NZ :NH3+ -107:sc= 0.525 (180deg=-0.705) USER MOD Set 2.1: A 105 SER OG : rot -85:sc= 0.746 USER MOD Set 2.2: A 112 THR OG1 : rot 171:sc= 0.679 USER MOD Set 3.1: A 46 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Set 3.2: A 53 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 30 ASN : amide:sc= 0 X(o=0.19,f=0.17) USER MOD Set 4.2: A 31 CYS SG : rot 80:sc= 0.186 USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLN N :NH3+ 150:sc= 0.0353 (180deg=-0.187) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00574 USER MOD Single : A 4 ASN : amide:sc= -0.219 K(o=-0.22,f=-0.87) USER MOD Single : A 8 GLN : amide:sc= -0.147 K(o=-0.15,f=-1) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= -0.488 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 17 ASN : amide:sc= -0.711 K(o=-0.71,f=0.02) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.1 K(o=-0.1,f=-0.83) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -114:sc= -0.392 (180deg=-2.98!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -1.34! X(o=-1.3!,f=-0.95) USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.404 X(o=-0.4,f=-0.056) USER MOD Single : A 40 SER OG : rot 38:sc= 0.356 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -1.87 X(o=-1.9,f=-1.5) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl -154:sc= -0.193 (180deg=-1.01) USER MOD Single : A 59 GLN : amide:sc= -0.0465 X(o=-0.047,f=-0.54) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -2.1 X(o=-2.1,f=-2.5) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0207 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -0.155 K(o=-0.15,f=-2.2!) USER MOD Single : A 81 GLN : amide:sc= -0.105 K(o=-0.1,f=-2.2!) USER MOD Single : A 83 SER OG : rot 180:sc= -0.337 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 63:sc= 1.32 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 GLN : amide:sc= -0.0636 K(o=-0.064,f=-0.91) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 GLN : amide:sc= -0.0681 K(o=-0.068,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -0.506 -2.703 -2.039 1.00 51.20 N ATOM 2 CA GLN A 1 -1.050 -1.362 -2.221 1.00 60.21 C ATOM 3 C GLN A 1 -0.100 -0.496 -3.042 1.00 30.31 C ATOM 4 O GLN A 1 1.035 -0.888 -3.313 1.00 1.23 O ATOM 5 CB GLN A 1 -1.313 -0.707 -0.864 1.00 43.11 C ATOM 6 CG GLN A 1 -0.170 -0.874 0.124 1.00 64.41 C ATOM 7 CD GLN A 1 -0.266 0.082 1.296 1.00 54.20 C ATOM 8 OE1 GLN A 1 -1.208 0.020 2.087 1.00 72.12 O ATOM 9 NE2 GLN A 1 0.710 0.975 1.414 1.00 32.43 N ATOM 0 H1 GLN A 1 -0.841 -3.094 -1.135 1.00 51.20 H new ATOM 0 H2 GLN A 1 -0.821 -3.314 -2.819 1.00 51.20 H new ATOM 0 H3 GLN A 1 0.533 -2.658 -2.033 1.00 51.20 H new ATOM 0 HA GLN A 1 -1.992 -1.450 -2.763 1.00 60.21 H new ATOM 0 HB2 GLN A 1 -1.501 0.356 -1.013 1.00 43.11 H new ATOM 0 HB3 GLN A 1 -2.219 -1.133 -0.434 1.00 43.11 H new ATOM 0 HG2 GLN A 1 -0.163 -1.899 0.496 1.00 64.41 H new ATOM 0 HG3 GLN A 1 0.777 -0.716 -0.392 1.00 64.41 H new ATOM 0 HE21 GLN A 1 1.472 0.991 0.736 1.00 32.43 H new ATOM 0 HE22 GLN A 1 0.698 1.645 2.183 1.00 32.43 H new ATOM 18 N SER A 2 -0.572 0.682 -3.435 1.00 51.33 N ATOM 19 CA SER A 2 0.234 1.602 -4.229 1.00 40.41 C ATOM 20 C SER A 2 -0.101 3.051 -3.888 1.00 51.21 C ATOM 21 O SER A 2 -0.747 3.330 -2.877 1.00 50.00 O ATOM 22 CB SER A 2 0.010 1.353 -5.722 1.00 34.23 C ATOM 23 OG SER A 2 -1.169 1.996 -6.175 1.00 33.43 O ATOM 0 H SER A 2 -1.508 1.022 -3.217 1.00 51.33 H new ATOM 0 HA SER A 2 1.283 1.424 -3.992 1.00 40.41 H new ATOM 0 HB2 SER A 2 0.867 1.718 -6.287 1.00 34.23 H new ATOM 0 HB3 SER A 2 -0.062 0.281 -5.908 1.00 34.23 H new ATOM 0 HG SER A 2 -1.289 1.823 -7.132 1.00 33.43 H new ATOM 29 N LEU A 3 0.343 3.970 -4.739 1.00 14.14 N ATOM 30 CA LEU A 3 0.091 5.392 -4.529 1.00 73.30 C ATOM 31 C LEU A 3 -0.953 5.910 -5.513 1.00 12.53 C ATOM 32 O LEU A 3 -1.391 5.188 -6.407 1.00 22.11 O ATOM 33 CB LEU A 3 1.389 6.187 -4.679 1.00 13.24 C ATOM 34 CG LEU A 3 2.059 6.126 -6.051 1.00 62.24 C ATOM 35 CD1 LEU A 3 2.420 7.523 -6.532 1.00 73.24 C ATOM 36 CD2 LEU A 3 3.296 5.241 -6.002 1.00 4.14 C ATOM 0 H LEU A 3 0.879 3.756 -5.580 1.00 14.14 H new ATOM 0 HA LEU A 3 -0.293 5.523 -3.517 1.00 73.30 H new ATOM 0 HB2 LEU A 3 1.181 7.231 -4.445 1.00 13.24 H new ATOM 0 HB3 LEU A 3 2.099 5.828 -3.934 1.00 13.24 H new ATOM 0 HG LEU A 3 1.353 5.691 -6.759 1.00 62.24 H new ATOM 0 HD11 LEU A 3 2.896 7.459 -7.510 1.00 73.24 H new ATOM 0 HD12 LEU A 3 1.516 8.127 -6.607 1.00 73.24 H new ATOM 0 HD13 LEU A 3 3.107 7.985 -5.824 1.00 73.24 H new ATOM 0 HD21 LEU A 3 3.760 5.209 -6.988 1.00 4.14 H new ATOM 0 HD22 LEU A 3 4.005 5.646 -5.280 1.00 4.14 H new ATOM 0 HD23 LEU A 3 3.010 4.233 -5.703 1.00 4.14 H new ATOM 48 N ASN A 4 -1.346 7.169 -5.342 1.00 34.54 N ATOM 49 CA ASN A 4 -2.338 7.785 -6.215 1.00 41.05 C ATOM 50 C ASN A 4 -1.844 7.820 -7.659 1.00 13.03 C ATOM 51 O ASN A 4 -0.645 7.766 -7.932 1.00 51.02 O ATOM 52 CB ASN A 4 -2.656 9.204 -5.739 1.00 74.31 C ATOM 53 CG ASN A 4 -1.412 9.973 -5.340 1.00 63.40 C ATOM 54 OD1 ASN A 4 -0.469 10.099 -6.122 1.00 54.31 O ATOM 55 ND2 ASN A 4 -1.403 10.490 -4.117 1.00 41.31 N ATOM 0 H ASN A 4 -0.992 7.782 -4.607 1.00 34.54 H new ATOM 0 HA ASN A 4 -3.246 7.183 -6.174 1.00 41.05 H new ATOM 0 HB2 ASN A 4 -3.174 9.743 -6.533 1.00 74.31 H new ATOM 0 HB3 ASN A 4 -3.337 9.155 -4.890 1.00 74.31 H new ATOM 0 HD21 ASN A 4 -0.592 11.017 -3.792 1.00 41.31 H new ATOM 0 HD22 ASN A 4 -2.207 10.361 -3.503 1.00 41.31 H new ATOM 62 N PRO A 5 -2.790 7.913 -8.605 1.00 41.23 N ATOM 63 CA PRO A 5 -2.476 7.959 -10.036 1.00 65.24 C ATOM 64 C PRO A 5 -1.803 9.266 -10.441 1.00 13.41 C ATOM 65 O PRO A 5 -1.022 9.306 -11.391 1.00 31.41 O ATOM 66 CB PRO A 5 -3.847 7.833 -10.705 1.00 2.40 C ATOM 67 CG PRO A 5 -4.810 8.350 -9.693 1.00 33.32 C ATOM 68 CD PRO A 5 -4.239 7.982 -8.352 1.00 22.25 C ATOM 0 HA PRO A 5 -1.773 7.177 -10.324 1.00 65.24 H new ATOM 0 HB2 PRO A 5 -3.892 8.412 -11.627 1.00 2.40 H new ATOM 0 HB3 PRO A 5 -4.066 6.798 -10.968 1.00 2.40 H new ATOM 0 HG2 PRO A 5 -4.929 9.430 -9.783 1.00 33.32 H new ATOM 0 HG3 PRO A 5 -5.797 7.908 -9.832 1.00 33.32 H new ATOM 0 HD2 PRO A 5 -4.479 8.728 -7.595 1.00 22.25 H new ATOM 0 HD3 PRO A 5 -4.631 7.029 -7.996 1.00 22.25 H new ATOM 76 N ALA A 6 -2.112 10.335 -9.713 1.00 60.24 N ATOM 77 CA ALA A 6 -1.535 11.644 -9.995 1.00 74.53 C ATOM 78 C ALA A 6 -1.746 12.033 -11.454 1.00 42.35 C ATOM 79 O ALA A 6 -0.957 12.787 -12.027 1.00 22.45 O ATOM 80 CB ALA A 6 -0.053 11.652 -9.653 1.00 62.12 C ATOM 0 H ALA A 6 -2.758 10.320 -8.924 1.00 60.24 H new ATOM 0 HA ALA A 6 -2.044 12.380 -9.373 1.00 74.53 H new ATOM 0 HB1 ALA A 6 0.365 12.635 -9.869 1.00 62.12 H new ATOM 0 HB2 ALA A 6 0.077 11.426 -8.595 1.00 62.12 H new ATOM 0 HB3 ALA A 6 0.462 10.900 -10.250 1.00 62.12 H new ATOM 86 N LEU A 7 -2.813 11.516 -12.052 1.00 74.20 N ATOM 87 CA LEU A 7 -3.127 11.809 -13.446 1.00 54.51 C ATOM 88 C LEU A 7 -4.297 12.783 -13.547 1.00 40.33 C ATOM 89 O LEU A 7 -4.263 13.728 -14.335 1.00 73.15 O ATOM 90 CB LEU A 7 -3.457 10.519 -14.198 1.00 31.31 C ATOM 91 CG LEU A 7 -2.405 10.037 -15.198 1.00 14.11 C ATOM 92 CD1 LEU A 7 -2.257 11.033 -16.338 1.00 33.31 C ATOM 93 CD2 LEU A 7 -1.070 9.817 -14.503 1.00 3.13 C ATOM 0 H LEU A 7 -3.476 10.891 -11.593 1.00 74.20 H new ATOM 0 HA LEU A 7 -2.251 12.272 -13.900 1.00 54.51 H new ATOM 0 HB2 LEU A 7 -3.623 9.728 -13.467 1.00 31.31 H new ATOM 0 HB3 LEU A 7 -4.397 10.663 -14.731 1.00 31.31 H new ATOM 0 HG LEU A 7 -2.736 9.086 -15.614 1.00 14.11 H new ATOM 0 HD11 LEU A 7 -1.504 10.674 -17.040 1.00 33.31 H new ATOM 0 HD12 LEU A 7 -3.211 11.141 -16.853 1.00 33.31 H new ATOM 0 HD13 LEU A 7 -1.949 11.999 -15.939 1.00 33.31 H new ATOM 0 HD21 LEU A 7 -0.334 9.474 -15.230 1.00 3.13 H new ATOM 0 HD22 LEU A 7 -0.733 10.753 -14.058 1.00 3.13 H new ATOM 0 HD23 LEU A 7 -1.186 9.066 -13.722 1.00 3.13 H new ATOM 105 N GLN A 8 -5.328 12.547 -12.743 1.00 54.10 N ATOM 106 CA GLN A 8 -6.508 13.405 -12.742 1.00 25.23 C ATOM 107 C GLN A 8 -6.842 13.869 -11.328 1.00 25.23 C ATOM 108 O GLN A 8 -8.006 14.085 -10.995 1.00 32.12 O ATOM 109 CB GLN A 8 -7.703 12.665 -13.344 1.00 71.11 C ATOM 110 CG GLN A 8 -7.653 12.561 -14.860 1.00 31.51 C ATOM 111 CD GLN A 8 -8.464 13.642 -15.546 1.00 74.43 C ATOM 112 OE1 GLN A 8 -8.407 14.812 -15.167 1.00 71.24 O ATOM 113 NE2 GLN A 8 -9.226 13.255 -16.563 1.00 11.00 N ATOM 0 H GLN A 8 -5.371 11.770 -12.084 1.00 54.10 H new ATOM 0 HA GLN A 8 -6.289 14.282 -13.351 1.00 25.23 H new ATOM 0 HB2 GLN A 8 -7.749 11.662 -12.921 1.00 71.11 H new ATOM 0 HB3 GLN A 8 -8.621 13.176 -13.053 1.00 71.11 H new ATOM 0 HG2 GLN A 8 -6.616 12.625 -15.191 1.00 31.51 H new ATOM 0 HG3 GLN A 8 -8.026 11.583 -15.166 1.00 31.51 H new ATOM 0 HE21 GLN A 8 -9.243 12.274 -16.843 1.00 11.00 H new ATOM 0 HE22 GLN A 8 -9.794 13.938 -17.063 1.00 11.00 H new ATOM 122 N GLU A 9 -5.812 14.019 -10.501 1.00 4.33 N ATOM 123 CA GLU A 9 -5.997 14.457 -9.122 1.00 74.51 C ATOM 124 C GLU A 9 -5.721 15.951 -8.983 1.00 73.14 C ATOM 125 O GLU A 9 -5.084 16.390 -8.026 1.00 44.22 O ATOM 126 CB GLU A 9 -5.080 13.668 -8.185 1.00 44.15 C ATOM 127 CG GLU A 9 -5.319 12.168 -8.219 1.00 61.05 C ATOM 128 CD GLU A 9 -4.941 11.487 -6.918 1.00 52.41 C ATOM 129 OE1 GLU A 9 -3.999 11.963 -6.251 1.00 31.02 O ATOM 130 OE2 GLU A 9 -5.589 10.479 -6.567 1.00 63.33 O ATOM 0 H GLU A 9 -4.842 13.844 -10.762 1.00 4.33 H new ATOM 0 HA GLU A 9 -7.035 14.270 -8.845 1.00 74.51 H new ATOM 0 HB2 GLU A 9 -4.042 13.868 -8.453 1.00 44.15 H new ATOM 0 HB3 GLU A 9 -5.221 14.027 -7.165 1.00 44.15 H new ATOM 0 HG2 GLU A 9 -6.370 11.976 -8.433 1.00 61.05 H new ATOM 0 HG3 GLU A 9 -4.743 11.731 -9.034 1.00 61.05 H new ATOM 137 N LYS A 10 -6.206 16.728 -9.946 1.00 64.24 N ATOM 138 CA LYS A 10 -6.013 18.173 -9.934 1.00 0.14 C ATOM 139 C LYS A 10 -6.746 18.809 -8.757 1.00 4.23 C ATOM 140 O LYS A 10 -7.932 18.559 -8.544 1.00 32.33 O ATOM 141 CB LYS A 10 -6.506 18.786 -11.246 1.00 73.45 C ATOM 142 CG LYS A 10 -5.601 18.495 -12.431 1.00 52.01 C ATOM 143 CD LYS A 10 -6.075 19.212 -13.684 1.00 51.30 C ATOM 144 CE LYS A 10 -6.109 18.277 -14.883 1.00 22.22 C ATOM 145 NZ LYS A 10 -5.730 18.975 -16.142 1.00 43.22 N ATOM 0 H LYS A 10 -6.736 16.380 -10.745 1.00 64.24 H new ATOM 0 HA LYS A 10 -4.947 18.371 -9.826 1.00 0.14 H new ATOM 0 HB2 LYS A 10 -7.505 18.408 -11.461 1.00 73.45 H new ATOM 0 HB3 LYS A 10 -6.593 19.865 -11.123 1.00 73.45 H new ATOM 0 HG2 LYS A 10 -4.583 18.805 -12.197 1.00 52.01 H new ATOM 0 HG3 LYS A 10 -5.573 17.421 -12.614 1.00 52.01 H new ATOM 0 HD2 LYS A 10 -7.070 19.624 -13.514 1.00 51.30 H new ATOM 0 HD3 LYS A 10 -5.414 20.052 -13.895 1.00 51.30 H new ATOM 0 HE2 LYS A 10 -5.429 17.442 -14.712 1.00 22.22 H new ATOM 0 HE3 LYS A 10 -7.109 17.857 -14.988 1.00 22.22 H new ATOM 0 HZ1 LYS A 10 -5.766 18.304 -16.935 1.00 43.22 H new ATOM 0 HZ2 LYS A 10 -6.394 19.756 -16.319 1.00 43.22 H new ATOM 0 HZ3 LYS A 10 -4.766 19.354 -16.052 1.00 43.22 H new ATOM 159 N ILE A 11 -6.032 19.633 -7.997 1.00 41.30 N ATOM 160 CA ILE A 11 -6.616 20.307 -6.844 1.00 21.22 C ATOM 161 C ILE A 11 -6.944 21.761 -7.164 1.00 73.05 C ATOM 162 O ILE A 11 -6.112 22.493 -7.700 1.00 63.51 O ATOM 163 CB ILE A 11 -5.672 20.262 -5.628 1.00 22.42 C ATOM 164 CG1 ILE A 11 -6.355 20.870 -4.401 1.00 42.44 C ATOM 165 CG2 ILE A 11 -4.375 20.994 -5.937 1.00 2.23 C ATOM 166 CD1 ILE A 11 -7.468 20.013 -3.842 1.00 21.34 C ATOM 0 H ILE A 11 -5.049 19.850 -8.159 1.00 41.30 H new ATOM 0 HA ILE A 11 -7.536 19.775 -6.601 1.00 21.22 H new ATOM 0 HB ILE A 11 -5.435 19.221 -5.409 1.00 22.42 H new ATOM 0 HG12 ILE A 11 -5.609 21.034 -3.624 1.00 42.44 H new ATOM 0 HG13 ILE A 11 -6.758 21.847 -4.667 1.00 42.44 H new ATOM 0 HG21 ILE A 11 -3.718 20.953 -5.068 1.00 2.23 H new ATOM 0 HG22 ILE A 11 -3.883 20.520 -6.786 1.00 2.23 H new ATOM 0 HG23 ILE A 11 -4.593 22.034 -6.179 1.00 2.23 H new ATOM 0 HD11 ILE A 11 -7.906 20.506 -2.974 1.00 21.34 H new ATOM 0 HD12 ILE A 11 -8.235 19.870 -4.604 1.00 21.34 H new ATOM 0 HD13 ILE A 11 -7.067 19.044 -3.544 1.00 21.34 H new ATOM 178 N SER A 12 -8.163 22.174 -6.831 1.00 40.14 N ATOM 179 CA SER A 12 -8.603 23.541 -7.086 1.00 22.14 C ATOM 180 C SER A 12 -8.713 23.806 -8.584 1.00 3.51 C ATOM 181 O SER A 12 -7.812 23.472 -9.354 1.00 44.51 O ATOM 182 CB SER A 12 -7.633 24.538 -6.449 1.00 44.02 C ATOM 183 OG SER A 12 -7.194 24.084 -5.181 1.00 21.05 O ATOM 0 H SER A 12 -8.863 21.582 -6.384 1.00 40.14 H new ATOM 0 HA SER A 12 -9.589 23.669 -6.640 1.00 22.14 H new ATOM 0 HB2 SER A 12 -6.774 24.683 -7.104 1.00 44.02 H new ATOM 0 HB3 SER A 12 -8.120 25.507 -6.343 1.00 44.02 H new ATOM 0 HG SER A 12 -6.574 24.738 -4.796 1.00 21.05 H new ATOM 189 N THR A 13 -9.825 24.410 -8.992 1.00 2.44 N ATOM 190 CA THR A 13 -10.055 24.720 -10.397 1.00 1.41 C ATOM 191 C THR A 13 -9.970 26.221 -10.650 1.00 5.20 C ATOM 192 O THR A 13 -9.403 26.659 -11.651 1.00 12.44 O ATOM 193 CB THR A 13 -11.430 24.209 -10.867 1.00 41.51 C ATOM 194 OG1 THR A 13 -11.739 24.750 -12.157 1.00 3.24 O ATOM 195 CG2 THR A 13 -12.518 24.595 -9.876 1.00 70.43 C ATOM 0 H THR A 13 -10.581 24.694 -8.368 1.00 2.44 H new ATOM 0 HA THR A 13 -9.274 24.214 -10.964 1.00 1.41 H new ATOM 0 HB THR A 13 -11.387 23.122 -10.930 1.00 41.51 H new ATOM 0 HG1 THR A 13 -12.614 24.419 -12.449 1.00 3.24 H new ATOM 0 HG21 THR A 13 -13.480 24.224 -10.229 1.00 70.43 H new ATOM 0 HG22 THR A 13 -12.295 24.158 -8.903 1.00 70.43 H new ATOM 0 HG23 THR A 13 -12.559 25.680 -9.786 1.00 70.43 H new ATOM 203 N GLU A 14 -10.535 27.004 -9.736 1.00 70.03 N ATOM 204 CA GLU A 14 -10.522 28.457 -9.862 1.00 60.42 C ATOM 205 C GLU A 14 -10.154 29.114 -8.535 1.00 52.52 C ATOM 206 O GLU A 14 -10.216 30.337 -8.397 1.00 62.11 O ATOM 207 CB GLU A 14 -11.887 28.962 -10.334 1.00 10.24 C ATOM 208 CG GLU A 14 -11.803 30.135 -11.296 1.00 65.33 C ATOM 209 CD GLU A 14 -12.947 30.157 -12.290 1.00 74.04 C ATOM 210 OE1 GLU A 14 -14.098 29.903 -11.875 1.00 64.24 O ATOM 211 OE2 GLU A 14 -12.694 30.428 -13.483 1.00 4.15 O ATOM 0 H GLU A 14 -11.007 26.657 -8.901 1.00 70.03 H new ATOM 0 HA GLU A 14 -9.768 28.726 -10.602 1.00 60.42 H new ATOM 0 HB2 GLU A 14 -12.420 28.144 -10.818 1.00 10.24 H new ATOM 0 HB3 GLU A 14 -12.476 29.257 -9.466 1.00 10.24 H new ATOM 0 HG2 GLU A 14 -11.802 31.066 -10.729 1.00 65.33 H new ATOM 0 HG3 GLU A 14 -10.858 30.090 -11.837 1.00 65.33 H new ATOM 218 N LEU A 15 -9.772 28.295 -7.562 1.00 15.44 N ATOM 219 CA LEU A 15 -9.395 28.796 -6.244 1.00 41.25 C ATOM 220 C LEU A 15 -10.630 29.134 -5.416 1.00 31.34 C ATOM 221 O LEU A 15 -10.535 29.379 -4.214 1.00 31.22 O ATOM 222 CB LEU A 15 -8.506 30.033 -6.383 1.00 50.41 C ATOM 223 CG LEU A 15 -7.317 30.116 -5.426 1.00 3.04 C ATOM 224 CD1 LEU A 15 -6.205 29.180 -5.873 1.00 71.42 C ATOM 225 CD2 LEU A 15 -6.806 31.546 -5.332 1.00 10.43 C ATOM 0 H LEU A 15 -9.715 27.281 -7.660 1.00 15.44 H new ATOM 0 HA LEU A 15 -8.839 28.012 -5.730 1.00 41.25 H new ATOM 0 HB2 LEU A 15 -8.128 30.071 -7.405 1.00 50.41 H new ATOM 0 HB3 LEU A 15 -9.125 30.919 -6.239 1.00 50.41 H new ATOM 0 HG LEU A 15 -7.651 29.805 -4.436 1.00 3.04 H new ATOM 0 HD11 LEU A 15 -5.367 29.253 -5.180 1.00 71.42 H new ATOM 0 HD12 LEU A 15 -6.576 28.155 -5.887 1.00 71.42 H new ATOM 0 HD13 LEU A 15 -5.874 29.460 -6.873 1.00 71.42 H new ATOM 0 HD21 LEU A 15 -5.960 31.586 -4.646 1.00 10.43 H new ATOM 0 HD22 LEU A 15 -6.490 31.885 -6.319 1.00 10.43 H new ATOM 0 HD23 LEU A 15 -7.602 32.193 -4.964 1.00 10.43 H new ATOM 237 N ASN A 16 -11.789 29.142 -6.066 1.00 41.35 N ATOM 238 CA ASN A 16 -13.044 29.448 -5.389 1.00 63.10 C ATOM 239 C ASN A 16 -13.781 28.168 -5.006 1.00 50.33 C ATOM 240 O ASN A 16 -14.265 28.031 -3.884 1.00 21.13 O ATOM 241 CB ASN A 16 -13.933 30.314 -6.284 1.00 23.12 C ATOM 242 CG ASN A 16 -13.240 31.588 -6.727 1.00 14.31 C ATOM 243 OD1 ASN A 16 -12.776 31.693 -7.862 1.00 43.02 O ATOM 244 ND2 ASN A 16 -13.168 32.565 -5.830 1.00 34.10 N ATOM 0 H ASN A 16 -11.885 28.940 -7.061 1.00 41.35 H new ATOM 0 HA ASN A 16 -12.812 29.999 -4.478 1.00 63.10 H new ATOM 0 HB2 ASN A 16 -14.229 29.740 -7.162 1.00 23.12 H new ATOM 0 HB3 ASN A 16 -14.847 30.568 -5.747 1.00 23.12 H new ATOM 0 HD21 ASN A 16 -12.714 33.446 -6.071 1.00 34.10 H new ATOM 0 HD22 ASN A 16 -13.567 32.434 -4.900 1.00 34.10 H new ATOM 251 N ASN A 17 -13.862 27.234 -5.948 1.00 43.13 N ATOM 252 CA ASN A 17 -14.540 25.965 -5.710 1.00 42.11 C ATOM 253 C ASN A 17 -13.665 25.028 -4.883 1.00 60.44 C ATOM 254 O ASN A 17 -14.156 24.077 -4.275 1.00 34.22 O ATOM 255 CB ASN A 17 -14.905 25.301 -7.039 1.00 62.31 C ATOM 256 CG ASN A 17 -15.567 26.264 -8.005 1.00 11.54 C ATOM 257 OD1 ASN A 17 -16.793 26.367 -8.054 1.00 20.12 O ATOM 258 ND2 ASN A 17 -14.757 26.977 -8.779 1.00 24.24 N ATOM 0 H ASN A 17 -13.467 27.332 -6.883 1.00 43.13 H new ATOM 0 HA ASN A 17 -15.453 26.168 -5.151 1.00 42.11 H new ATOM 0 HB2 ASN A 17 -14.004 24.893 -7.497 1.00 62.31 H new ATOM 0 HB3 ASN A 17 -15.575 24.462 -6.851 1.00 62.31 H new ATOM 0 HD21 ASN A 17 -15.145 27.642 -9.448 1.00 24.24 H new ATOM 0 HD22 ASN A 17 -13.747 26.859 -8.705 1.00 24.24 H new ATOM 265 N LYS A 18 -12.365 25.302 -4.866 1.00 11.44 N ATOM 266 CA LYS A 18 -11.420 24.486 -4.113 1.00 13.13 C ATOM 267 C LYS A 18 -11.875 24.322 -2.666 1.00 71.11 C ATOM 268 O LYS A 18 -11.679 23.269 -2.061 1.00 31.42 O ATOM 269 CB LYS A 18 -10.026 25.116 -4.152 1.00 12.22 C ATOM 270 CG LYS A 18 -9.929 26.425 -3.388 1.00 2.33 C ATOM 271 CD LYS A 18 -9.391 26.212 -1.982 1.00 54.14 C ATOM 272 CE LYS A 18 -7.932 25.785 -2.003 1.00 3.12 C ATOM 273 NZ LYS A 18 -7.049 26.796 -1.358 1.00 10.25 N ATOM 0 H LYS A 18 -11.941 26.084 -5.366 1.00 11.44 H new ATOM 0 HA LYS A 18 -11.380 23.500 -4.577 1.00 13.13 H new ATOM 0 HB2 LYS A 18 -9.306 24.410 -3.739 1.00 12.22 H new ATOM 0 HB3 LYS A 18 -9.744 25.289 -5.190 1.00 12.22 H new ATOM 0 HG2 LYS A 18 -9.279 27.114 -3.927 1.00 2.33 H new ATOM 0 HG3 LYS A 18 -10.913 26.890 -3.335 1.00 2.33 H new ATOM 0 HD2 LYS A 18 -9.493 27.133 -1.409 1.00 54.14 H new ATOM 0 HD3 LYS A 18 -9.986 25.453 -1.475 1.00 54.14 H new ATOM 0 HE2 LYS A 18 -7.826 24.830 -1.489 1.00 3.12 H new ATOM 0 HE3 LYS A 18 -7.614 25.630 -3.034 1.00 3.12 H new ATOM 0 HZ1 LYS A 18 -6.063 26.468 -1.393 1.00 10.25 H new ATOM 0 HZ2 LYS A 18 -7.131 27.701 -1.863 1.00 10.25 H new ATOM 0 HZ3 LYS A 18 -7.336 26.926 -0.367 1.00 10.25 H new ATOM 287 N GLN A 19 -12.484 25.369 -2.119 1.00 41.44 N ATOM 288 CA GLN A 19 -12.967 25.339 -0.744 1.00 50.50 C ATOM 289 C GLN A 19 -14.074 24.304 -0.578 1.00 73.14 C ATOM 290 O GLN A 19 -14.067 23.519 0.370 1.00 31.03 O ATOM 291 CB GLN A 19 -13.478 26.721 -0.331 1.00 32.44 C ATOM 292 CG GLN A 19 -12.434 27.570 0.376 1.00 64.50 C ATOM 293 CD GLN A 19 -12.724 29.054 0.278 1.00 53.14 C ATOM 294 OE1 GLN A 19 -13.182 29.542 -0.756 1.00 73.42 O ATOM 295 NE2 GLN A 19 -12.459 29.782 1.356 1.00 12.20 N ATOM 0 H GLN A 19 -12.655 26.248 -2.607 1.00 41.44 H new ATOM 0 HA GLN A 19 -12.134 25.059 -0.099 1.00 50.50 H new ATOM 0 HB2 GLN A 19 -13.825 27.251 -1.218 1.00 32.44 H new ATOM 0 HB3 GLN A 19 -14.340 26.599 0.325 1.00 32.44 H new ATOM 0 HG2 GLN A 19 -12.387 27.282 1.426 1.00 64.50 H new ATOM 0 HG3 GLN A 19 -11.454 27.366 -0.054 1.00 64.50 H new ATOM 0 HE21 GLN A 19 -12.080 29.337 2.192 1.00 12.20 H new ATOM 0 HE22 GLN A 19 -12.634 30.787 1.349 1.00 12.20 H new ATOM 304 N TYR A 20 -15.025 24.308 -1.506 1.00 63.14 N ATOM 305 CA TYR A 20 -16.141 23.370 -1.462 1.00 4.54 C ATOM 306 C TYR A 20 -15.675 21.954 -1.783 1.00 31.54 C ATOM 307 O TYR A 20 -16.031 21.000 -1.090 1.00 50.55 O ATOM 308 CB TYR A 20 -17.231 23.796 -2.446 1.00 14.22 C ATOM 309 CG TYR A 20 -18.333 24.614 -1.812 1.00 14.43 C ATOM 310 CD1 TYR A 20 -18.244 25.999 -1.739 1.00 72.04 C ATOM 311 CD2 TYR A 20 -19.465 24.003 -1.286 1.00 23.54 C ATOM 312 CE1 TYR A 20 -19.248 26.750 -1.160 1.00 54.21 C ATOM 313 CE2 TYR A 20 -20.475 24.746 -0.706 1.00 24.11 C ATOM 314 CZ TYR A 20 -20.362 26.119 -0.645 1.00 45.21 C ATOM 315 OH TYR A 20 -21.365 26.864 -0.069 1.00 3.14 O ATOM 0 H TYR A 20 -15.045 24.950 -2.298 1.00 63.14 H new ATOM 0 HA TYR A 20 -16.550 23.378 -0.452 1.00 4.54 H new ATOM 0 HB2 TYR A 20 -16.777 24.375 -3.250 1.00 14.22 H new ATOM 0 HB3 TYR A 20 -17.666 22.906 -2.901 1.00 14.22 H new ATOM 0 HD1 TYR A 20 -17.374 26.497 -2.142 1.00 72.04 H new ATOM 0 HD2 TYR A 20 -19.557 22.928 -1.331 1.00 23.54 H new ATOM 0 HE1 TYR A 20 -19.162 27.825 -1.111 1.00 54.21 H new ATOM 0 HE2 TYR A 20 -21.348 24.254 -0.303 1.00 24.11 H new ATOM 0 HH TYR A 20 -22.078 26.268 0.243 1.00 3.14 H new ATOM 325 N GLU A 21 -14.876 21.825 -2.837 1.00 73.34 N ATOM 326 CA GLU A 21 -14.362 20.525 -3.251 1.00 23.52 C ATOM 327 C GLU A 21 -13.503 19.905 -2.152 1.00 35.42 C ATOM 328 O GLU A 21 -13.638 18.721 -1.836 1.00 42.53 O ATOM 329 CB GLU A 21 -13.543 20.660 -4.536 1.00 53.45 C ATOM 330 CG GLU A 21 -14.389 20.661 -5.799 1.00 22.20 C ATOM 331 CD GLU A 21 -14.007 21.773 -6.756 1.00 54.32 C ATOM 332 OE1 GLU A 21 -12.800 22.073 -6.868 1.00 15.13 O ATOM 333 OE2 GLU A 21 -14.917 22.344 -7.394 1.00 50.00 O ATOM 0 H GLU A 21 -14.571 22.605 -3.420 1.00 73.34 H new ATOM 0 HA GLU A 21 -15.213 19.870 -3.438 1.00 23.52 H new ATOM 0 HB2 GLU A 21 -12.966 21.584 -4.494 1.00 53.45 H new ATOM 0 HB3 GLU A 21 -12.827 19.840 -4.589 1.00 53.45 H new ATOM 0 HG2 GLU A 21 -14.283 19.700 -6.303 1.00 22.20 H new ATOM 0 HG3 GLU A 21 -15.440 20.765 -5.528 1.00 22.20 H new ATOM 340 N LEU A 22 -12.621 20.711 -1.573 1.00 11.33 N ATOM 341 CA LEU A 22 -11.739 20.243 -0.509 1.00 15.22 C ATOM 342 C LEU A 22 -12.528 19.955 0.765 1.00 51.33 C ATOM 343 O LEU A 22 -12.180 19.059 1.533 1.00 32.35 O ATOM 344 CB LEU A 22 -10.653 21.282 -0.226 1.00 12.23 C ATOM 345 CG LEU A 22 -9.455 20.795 0.589 1.00 3.25 C ATOM 346 CD1 LEU A 22 -8.169 21.426 0.078 1.00 51.23 C ATOM 347 CD2 LEU A 22 -9.652 21.106 2.066 1.00 33.30 C ATOM 0 H LEU A 22 -12.497 21.692 -1.822 1.00 11.33 H new ATOM 0 HA LEU A 22 -11.269 19.317 -0.841 1.00 15.22 H new ATOM 0 HB2 LEU A 22 -10.287 21.665 -1.179 1.00 12.23 H new ATOM 0 HB3 LEU A 22 -11.109 22.120 0.301 1.00 12.23 H new ATOM 0 HG LEU A 22 -9.377 19.714 0.472 1.00 3.25 H new ATOM 0 HD11 LEU A 22 -7.327 21.067 0.670 1.00 51.23 H new ATOM 0 HD12 LEU A 22 -8.020 21.153 -0.967 1.00 51.23 H new ATOM 0 HD13 LEU A 22 -8.237 22.511 0.163 1.00 51.23 H new ATOM 0 HD21 LEU A 22 -8.789 20.752 2.631 1.00 33.30 H new ATOM 0 HD22 LEU A 22 -9.757 22.183 2.200 1.00 33.30 H new ATOM 0 HD23 LEU A 22 -10.551 20.606 2.426 1.00 33.30 H new ATOM 359 N PHE A 23 -13.593 20.720 0.981 1.00 51.14 N ATOM 360 CA PHE A 23 -14.433 20.547 2.160 1.00 25.54 C ATOM 361 C PHE A 23 -15.074 19.162 2.173 1.00 65.12 C ATOM 362 O PHE A 23 -15.040 18.460 3.183 1.00 14.12 O ATOM 363 CB PHE A 23 -15.518 21.624 2.203 1.00 71.10 C ATOM 364 CG PHE A 23 -15.230 22.727 3.181 1.00 60.02 C ATOM 365 CD1 PHE A 23 -13.967 23.291 3.257 1.00 65.23 C ATOM 366 CD2 PHE A 23 -16.222 23.200 4.024 1.00 55.43 C ATOM 367 CE1 PHE A 23 -13.699 24.305 4.156 1.00 4.32 C ATOM 368 CE2 PHE A 23 -15.961 24.215 4.925 1.00 5.10 C ATOM 369 CZ PHE A 23 -14.697 24.769 4.990 1.00 31.15 C ATOM 0 H PHE A 23 -13.895 21.466 0.354 1.00 51.14 H new ATOM 0 HA PHE A 23 -13.801 20.644 3.042 1.00 25.54 H new ATOM 0 HB2 PHE A 23 -15.633 22.053 1.207 1.00 71.10 H new ATOM 0 HB3 PHE A 23 -16.470 21.160 2.461 1.00 71.10 H new ATOM 0 HD1 PHE A 23 -13.183 22.934 2.606 1.00 65.23 H new ATOM 0 HD2 PHE A 23 -17.212 22.770 3.977 1.00 55.43 H new ATOM 0 HE1 PHE A 23 -12.709 24.735 4.207 1.00 4.32 H new ATOM 0 HE2 PHE A 23 -16.743 24.574 5.577 1.00 5.10 H new ATOM 0 HZ PHE A 23 -14.490 25.563 5.692 1.00 31.15 H new ATOM 379 N MET A 24 -15.657 18.776 1.043 1.00 41.34 N ATOM 380 CA MET A 24 -16.305 17.476 0.923 1.00 73.41 C ATOM 381 C MET A 24 -15.273 16.368 0.739 1.00 5.20 C ATOM 382 O MET A 24 -15.449 15.253 1.229 1.00 73.52 O ATOM 383 CB MET A 24 -17.284 17.476 -0.253 1.00 14.23 C ATOM 384 CG MET A 24 -18.716 17.158 0.148 1.00 3.23 C ATOM 385 SD MET A 24 -19.671 18.636 0.542 1.00 74.32 S ATOM 386 CE MET A 24 -19.658 18.581 2.332 1.00 44.10 C ATOM 0 H MET A 24 -15.694 19.345 0.197 1.00 41.34 H new ATOM 0 HA MET A 24 -16.855 17.287 1.845 1.00 73.41 H new ATOM 0 HB2 MET A 24 -17.259 18.453 -0.736 1.00 14.23 H new ATOM 0 HB3 MET A 24 -16.952 16.747 -0.992 1.00 14.23 H new ATOM 0 HG2 MET A 24 -19.205 16.619 -0.663 1.00 3.23 H new ATOM 0 HG3 MET A 24 -18.708 16.494 1.012 1.00 3.23 H new ATOM 0 HE1 MET A 24 -20.211 19.434 2.726 1.00 44.10 H new ATOM 0 HE2 MET A 24 -20.126 17.657 2.671 1.00 44.10 H new ATOM 0 HE3 MET A 24 -18.629 18.619 2.690 1.00 44.10 H new ATOM 396 N LYS A 25 -14.194 16.683 0.030 1.00 41.11 N ATOM 397 CA LYS A 25 -13.132 15.716 -0.218 1.00 64.34 C ATOM 398 C LYS A 25 -12.429 15.334 1.081 1.00 72.44 C ATOM 399 O LYS A 25 -12.245 14.152 1.374 1.00 53.34 O ATOM 400 CB LYS A 25 -12.116 16.286 -1.211 1.00 71.01 C ATOM 401 CG LYS A 25 -11.051 15.288 -1.632 1.00 50.43 C ATOM 402 CD LYS A 25 -9.664 15.739 -1.204 1.00 35.32 C ATOM 403 CE LYS A 25 -9.088 16.764 -2.169 1.00 33.52 C ATOM 404 NZ LYS A 25 -8.876 18.084 -1.514 1.00 20.01 N ATOM 0 H LYS A 25 -14.032 17.601 -0.383 1.00 41.11 H new ATOM 0 HA LYS A 25 -13.584 14.820 -0.643 1.00 64.34 H new ATOM 0 HB2 LYS A 25 -12.644 16.636 -2.098 1.00 71.01 H new ATOM 0 HB3 LYS A 25 -11.632 17.154 -0.764 1.00 71.01 H new ATOM 0 HG2 LYS A 25 -11.270 14.314 -1.193 1.00 50.43 H new ATOM 0 HG3 LYS A 25 -11.076 15.163 -2.714 1.00 50.43 H new ATOM 0 HD2 LYS A 25 -9.712 16.167 -0.203 1.00 35.32 H new ATOM 0 HD3 LYS A 25 -9.000 14.876 -1.150 1.00 35.32 H new ATOM 0 HE2 LYS A 25 -8.140 16.398 -2.564 1.00 33.52 H new ATOM 0 HE3 LYS A 25 -9.762 16.883 -3.017 1.00 33.52 H new ATOM 0 HZ1 LYS A 25 -9.516 18.787 -1.936 1.00 20.01 H new ATOM 0 HZ2 LYS A 25 -9.074 18.002 -0.496 1.00 20.01 H new ATOM 0 HZ3 LYS A 25 -7.890 18.386 -1.652 1.00 20.01 H new ATOM 418 N SER A 26 -12.040 16.341 1.856 1.00 30.40 N ATOM 419 CA SER A 26 -11.356 16.110 3.123 1.00 62.31 C ATOM 420 C SER A 26 -12.302 15.490 4.146 1.00 14.15 C ATOM 421 O SER A 26 -11.898 14.657 4.959 1.00 74.35 O ATOM 422 CB SER A 26 -10.787 17.422 3.666 1.00 21.21 C ATOM 423 OG SER A 26 -10.276 17.252 4.977 1.00 14.41 O ATOM 0 H SER A 26 -12.187 17.325 1.629 1.00 30.40 H new ATOM 0 HA SER A 26 -10.537 15.414 2.944 1.00 62.31 H new ATOM 0 HB2 SER A 26 -9.995 17.779 3.007 1.00 21.21 H new ATOM 0 HB3 SER A 26 -11.565 18.185 3.672 1.00 21.21 H new ATOM 0 HG SER A 26 -9.917 18.104 5.301 1.00 14.41 H new ATOM 429 N LEU A 27 -13.564 15.903 4.102 1.00 52.22 N ATOM 430 CA LEU A 27 -14.570 15.390 5.025 1.00 75.22 C ATOM 431 C LEU A 27 -14.908 13.936 4.709 1.00 2.11 C ATOM 432 O LEU A 27 -14.905 13.081 5.596 1.00 44.55 O ATOM 433 CB LEU A 27 -15.837 16.245 4.957 1.00 3.32 C ATOM 434 CG LEU A 27 -16.936 15.898 5.962 1.00 4.44 C ATOM 435 CD1 LEU A 27 -17.743 14.703 5.479 1.00 2.45 C ATOM 436 CD2 LEU A 27 -16.336 15.621 7.333 1.00 31.42 C ATOM 0 H LEU A 27 -13.915 16.592 3.437 1.00 52.22 H new ATOM 0 HA LEU A 27 -14.160 15.438 6.034 1.00 75.22 H new ATOM 0 HB2 LEU A 27 -15.556 17.288 5.102 1.00 3.32 H new ATOM 0 HB3 LEU A 27 -16.252 16.164 3.952 1.00 3.32 H new ATOM 0 HG LEU A 27 -17.607 16.752 6.047 1.00 4.44 H new ATOM 0 HD11 LEU A 27 -18.520 14.471 6.207 1.00 2.45 H new ATOM 0 HD12 LEU A 27 -18.203 14.939 4.519 1.00 2.45 H new ATOM 0 HD13 LEU A 27 -17.085 13.842 5.364 1.00 2.45 H new ATOM 0 HD21 LEU A 27 -17.132 15.376 8.036 1.00 31.42 H new ATOM 0 HD22 LEU A 27 -15.642 14.783 7.264 1.00 31.42 H new ATOM 0 HD23 LEU A 27 -15.803 16.505 7.682 1.00 31.42 H new ATOM 448 N ILE A 28 -15.196 13.663 3.441 1.00 11.11 N ATOM 449 CA ILE A 28 -15.532 12.312 3.008 1.00 1.34 C ATOM 450 C ILE A 28 -14.359 11.360 3.218 1.00 51.43 C ATOM 451 O ILE A 28 -14.524 10.267 3.757 1.00 21.12 O ATOM 452 CB ILE A 28 -15.944 12.283 1.525 1.00 71.52 C ATOM 453 CG1 ILE A 28 -17.281 13.001 1.330 1.00 61.02 C ATOM 454 CG2 ILE A 28 -16.031 10.847 1.028 1.00 44.22 C ATOM 455 CD1 ILE A 28 -18.457 12.261 1.927 1.00 13.11 C ATOM 0 H ILE A 28 -15.203 14.359 2.696 1.00 11.11 H new ATOM 0 HA ILE A 28 -16.375 11.985 3.617 1.00 1.34 H new ATOM 0 HB ILE A 28 -15.185 12.804 0.942 1.00 71.52 H new ATOM 0 HG12 ILE A 28 -17.220 13.993 1.779 1.00 61.02 H new ATOM 0 HG13 ILE A 28 -17.455 13.144 0.264 1.00 61.02 H new ATOM 0 HG21 ILE A 28 -16.323 10.842 -0.022 1.00 44.22 H new ATOM 0 HG22 ILE A 28 -15.059 10.365 1.136 1.00 44.22 H new ATOM 0 HG23 ILE A 28 -16.773 10.304 1.613 1.00 44.22 H new ATOM 0 HD11 ILE A 28 -19.371 12.828 1.751 1.00 13.11 H new ATOM 0 HD12 ILE A 28 -18.544 11.279 1.461 1.00 13.11 H new ATOM 0 HD13 ILE A 28 -18.305 12.141 3.000 1.00 13.11 H new ATOM 467 N GLU A 29 -13.175 11.786 2.788 1.00 21.45 N ATOM 468 CA GLU A 29 -11.974 10.971 2.930 1.00 31.42 C ATOM 469 C GLU A 29 -11.641 10.743 4.402 1.00 14.51 C ATOM 470 O GLU A 29 -11.126 9.692 4.777 1.00 25.44 O ATOM 471 CB GLU A 29 -10.791 11.639 2.226 1.00 74.42 C ATOM 472 CG GLU A 29 -10.205 12.809 2.998 1.00 74.05 C ATOM 473 CD GLU A 29 -9.099 13.514 2.237 1.00 24.53 C ATOM 474 OE1 GLU A 29 -9.405 14.187 1.231 1.00 3.25 O ATOM 475 OE2 GLU A 29 -7.926 13.391 2.649 1.00 21.00 O ATOM 0 H GLU A 29 -13.022 12.689 2.339 1.00 21.45 H new ATOM 0 HA GLU A 29 -12.166 10.004 2.465 1.00 31.42 H new ATOM 0 HB2 GLU A 29 -10.011 10.896 2.061 1.00 74.42 H new ATOM 0 HB3 GLU A 29 -11.113 11.987 1.244 1.00 74.42 H new ATOM 0 HG2 GLU A 29 -10.997 13.523 3.225 1.00 74.05 H new ATOM 0 HG3 GLU A 29 -9.815 12.452 3.951 1.00 74.05 H new ATOM 482 N ASN A 30 -11.940 11.739 5.231 1.00 74.33 N ATOM 483 CA ASN A 30 -11.672 11.649 6.661 1.00 33.24 C ATOM 484 C ASN A 30 -12.564 10.598 7.317 1.00 45.21 C ATOM 485 O ASN A 30 -12.076 9.685 7.984 1.00 31.12 O ATOM 486 CB ASN A 30 -11.891 13.008 7.329 1.00 74.01 C ATOM 487 CG ASN A 30 -11.822 12.927 8.842 1.00 42.14 C ATOM 488 OD1 ASN A 30 -10.743 12.786 9.418 1.00 40.12 O ATOM 489 ND2 ASN A 30 -12.976 13.016 9.492 1.00 1.25 N ATOM 0 H ASN A 30 -12.368 12.617 4.936 1.00 74.33 H new ATOM 0 HA ASN A 30 -10.632 11.351 6.792 1.00 33.24 H new ATOM 0 HB2 ASN A 30 -11.139 13.711 6.971 1.00 74.01 H new ATOM 0 HB3 ASN A 30 -12.863 13.403 7.033 1.00 74.01 H new ATOM 0 HD21 ASN A 30 -12.993 12.968 10.511 1.00 1.25 H new ATOM 0 HD22 ASN A 30 -13.846 13.132 8.973 1.00 1.25 H new ATOM 496 N CYS A 31 -13.870 10.734 7.122 1.00 53.14 N ATOM 497 CA CYS A 31 -14.830 9.797 7.694 1.00 74.22 C ATOM 498 C CYS A 31 -14.684 8.416 7.064 1.00 65.43 C ATOM 499 O CYS A 31 -14.661 7.402 7.762 1.00 61.31 O ATOM 500 CB CYS A 31 -16.257 10.312 7.496 1.00 21.43 C ATOM 501 SG CYS A 31 -16.504 12.023 8.025 1.00 21.12 S ATOM 0 H CYS A 31 -14.289 11.484 6.572 1.00 53.14 H new ATOM 0 HA CYS A 31 -14.626 9.713 8.761 1.00 74.22 H new ATOM 0 HB2 CYS A 31 -16.519 10.228 6.441 1.00 21.43 H new ATOM 0 HB3 CYS A 31 -16.943 9.670 8.048 1.00 21.43 H new ATOM 0 HG CYS A 31 -16.074 12.829 7.100 1.00 21.12 H new ATOM 507 N LYS A 32 -14.586 8.383 5.739 1.00 25.31 N ATOM 508 CA LYS A 32 -14.441 7.127 5.013 1.00 73.40 C ATOM 509 C LYS A 32 -13.157 6.409 5.417 1.00 52.01 C ATOM 510 O LYS A 32 -13.084 5.180 5.385 1.00 43.45 O ATOM 511 CB LYS A 32 -14.442 7.383 3.504 1.00 21.22 C ATOM 512 CG LYS A 32 -14.427 6.113 2.672 1.00 75.45 C ATOM 513 CD LYS A 32 -15.169 6.298 1.358 1.00 3.41 C ATOM 514 CE LYS A 32 -15.078 5.056 0.486 1.00 24.41 C ATOM 515 NZ LYS A 32 -13.992 5.167 -0.527 1.00 4.12 N ATOM 0 H LYS A 32 -14.604 9.213 5.146 1.00 25.31 H new ATOM 0 HA LYS A 32 -15.288 6.490 5.268 1.00 73.40 H new ATOM 0 HB2 LYS A 32 -15.324 7.968 3.244 1.00 21.22 H new ATOM 0 HB3 LYS A 32 -13.572 7.987 3.246 1.00 21.22 H new ATOM 0 HG2 LYS A 32 -13.396 5.821 2.471 1.00 75.45 H new ATOM 0 HG3 LYS A 32 -14.884 5.301 3.238 1.00 75.45 H new ATOM 0 HD2 LYS A 32 -16.216 6.526 1.559 1.00 3.41 H new ATOM 0 HD3 LYS A 32 -14.754 7.151 0.822 1.00 3.41 H new ATOM 0 HE2 LYS A 32 -14.900 4.183 1.115 1.00 24.41 H new ATOM 0 HE3 LYS A 32 -16.031 4.896 -0.019 1.00 24.41 H new ATOM 0 HZ1 LYS A 32 -13.963 4.300 -1.101 1.00 4.12 H new ATOM 0 HZ2 LYS A 32 -14.174 5.985 -1.143 1.00 4.12 H new ATOM 0 HZ3 LYS A 32 -13.079 5.294 -0.045 1.00 4.12 H new ATOM 529 N LYS A 33 -12.147 7.183 5.799 1.00 52.34 N ATOM 530 CA LYS A 33 -10.866 6.622 6.212 1.00 54.40 C ATOM 531 C LYS A 33 -11.036 5.717 7.428 1.00 42.12 C ATOM 532 O LYS A 33 -10.164 4.903 7.734 1.00 52.15 O ATOM 533 CB LYS A 33 -9.875 7.743 6.532 1.00 42.42 C ATOM 534 CG LYS A 33 -8.866 7.997 5.425 1.00 24.24 C ATOM 535 CD LYS A 33 -8.328 9.417 5.476 1.00 63.03 C ATOM 536 CE LYS A 33 -6.853 9.442 5.849 1.00 35.21 C ATOM 537 NZ LYS A 33 -6.172 10.662 5.336 1.00 42.21 N ATOM 0 H LYS A 33 -12.191 8.202 5.831 1.00 52.34 H new ATOM 0 HA LYS A 33 -10.476 6.025 5.388 1.00 54.40 H new ATOM 0 HB2 LYS A 33 -10.429 8.662 6.725 1.00 42.42 H new ATOM 0 HB3 LYS A 33 -9.341 7.494 7.449 1.00 42.42 H new ATOM 0 HG2 LYS A 33 -8.041 7.291 5.515 1.00 24.24 H new ATOM 0 HG3 LYS A 33 -9.334 7.819 4.457 1.00 24.24 H new ATOM 0 HD2 LYS A 33 -8.467 9.895 4.506 1.00 63.03 H new ATOM 0 HD3 LYS A 33 -8.898 9.997 6.202 1.00 63.03 H new ATOM 0 HE2 LYS A 33 -6.752 9.399 6.933 1.00 35.21 H new ATOM 0 HE3 LYS A 33 -6.362 8.556 5.447 1.00 35.21 H new ATOM 0 HZ1 LYS A 33 -5.169 10.641 5.611 1.00 42.21 H new ATOM 0 HZ2 LYS A 33 -6.246 10.691 4.299 1.00 42.21 H new ATOM 0 HZ3 LYS A 33 -6.624 11.507 5.739 1.00 42.21 H new ATOM 551 N ARG A 34 -12.163 5.863 8.116 1.00 0.55 N ATOM 552 CA ARG A 34 -12.446 5.058 9.299 1.00 51.54 C ATOM 553 C ARG A 34 -12.907 3.658 8.905 1.00 0.10 C ATOM 554 O ARG A 34 -13.134 2.805 9.762 1.00 53.21 O ATOM 555 CB ARG A 34 -13.515 5.736 10.159 1.00 64.41 C ATOM 556 CG ARG A 34 -13.130 7.131 10.622 1.00 45.35 C ATOM 557 CD ARG A 34 -12.150 7.083 11.784 1.00 61.54 C ATOM 558 NE ARG A 34 -11.743 8.418 12.213 1.00 33.11 N ATOM 559 CZ ARG A 34 -10.884 9.176 11.541 1.00 22.15 C ATOM 560 NH1 ARG A 34 -10.344 8.733 10.415 1.00 64.42 N ATOM 561 NH2 ARG A 34 -10.563 10.381 11.996 1.00 35.55 N ATOM 0 H ARG A 34 -12.895 6.531 7.875 1.00 0.55 H new ATOM 0 HA ARG A 34 -11.526 4.970 9.877 1.00 51.54 H new ATOM 0 HB2 ARG A 34 -14.443 5.794 9.591 1.00 64.41 H new ATOM 0 HB3 ARG A 34 -13.715 5.115 11.032 1.00 64.41 H new ATOM 0 HG2 ARG A 34 -12.685 7.681 9.792 1.00 45.35 H new ATOM 0 HG3 ARG A 34 -14.025 7.676 10.922 1.00 45.35 H new ATOM 0 HD2 ARG A 34 -12.607 6.557 12.622 1.00 61.54 H new ATOM 0 HD3 ARG A 34 -11.269 6.512 11.491 1.00 61.54 H new ATOM 0 HE ARG A 34 -12.140 8.789 13.076 1.00 33.11 H new ATOM 0 HH11 ARG A 34 -10.588 7.808 10.062 1.00 64.42 H new ATOM 0 HH12 ARG A 34 -9.685 9.317 9.901 1.00 64.42 H new ATOM 0 HH21 ARG A 34 -10.976 10.726 12.863 1.00 35.55 H new ATOM 0 HH22 ARG A 34 -9.903 10.962 11.479 1.00 35.55 H new ATOM 575 N ASN A 35 -13.043 3.430 7.603 1.00 61.42 N ATOM 576 CA ASN A 35 -13.478 2.133 7.096 1.00 42.24 C ATOM 577 C ASN A 35 -12.596 1.679 5.936 1.00 20.04 C ATOM 578 O ASN A 35 -12.091 0.557 5.930 1.00 31.32 O ATOM 579 CB ASN A 35 -14.938 2.203 6.644 1.00 62.34 C ATOM 580 CG ASN A 35 -15.718 0.956 7.014 1.00 64.24 C ATOM 581 OD1 ASN A 35 -15.235 -0.164 6.845 1.00 74.32 O ATOM 582 ND2 ASN A 35 -16.930 1.145 7.521 1.00 11.21 N ATOM 0 H ASN A 35 -12.859 4.126 6.880 1.00 61.42 H new ATOM 0 HA ASN A 35 -13.389 1.406 7.903 1.00 42.24 H new ATOM 0 HB2 ASN A 35 -15.414 3.073 7.096 1.00 62.34 H new ATOM 0 HB3 ASN A 35 -14.975 2.344 5.564 1.00 62.34 H new ATOM 0 HD21 ASN A 35 -17.502 0.344 7.788 1.00 11.21 H new ATOM 0 HD22 ASN A 35 -17.290 2.092 7.643 1.00 11.21 H new ATOM 589 N MET A 36 -12.415 2.559 4.957 1.00 11.44 N ATOM 590 CA MET A 36 -11.593 2.249 3.794 1.00 44.52 C ATOM 591 C MET A 36 -10.703 3.433 3.426 1.00 72.11 C ATOM 592 O MET A 36 -10.966 4.164 2.471 1.00 11.51 O ATOM 593 CB MET A 36 -12.477 1.872 2.604 1.00 63.43 C ATOM 594 CG MET A 36 -11.691 1.438 1.377 1.00 73.13 C ATOM 595 SD MET A 36 -12.474 0.072 0.498 1.00 53.24 S ATOM 596 CE MET A 36 -12.136 0.525 -1.202 1.00 14.41 C ATOM 0 H MET A 36 -12.827 3.492 4.946 1.00 11.44 H new ATOM 0 HA MET A 36 -10.955 1.402 4.046 1.00 44.52 H new ATOM 0 HB2 MET A 36 -13.147 1.065 2.901 1.00 63.43 H new ATOM 0 HB3 MET A 36 -13.103 2.725 2.342 1.00 63.43 H new ATOM 0 HG2 MET A 36 -11.583 2.286 0.701 1.00 73.13 H new ATOM 0 HG3 MET A 36 -10.687 1.142 1.680 1.00 73.13 H new ATOM 0 HE1 MET A 36 -12.559 -0.226 -1.870 1.00 14.41 H new ATOM 0 HE2 MET A 36 -12.585 1.495 -1.416 1.00 14.41 H new ATOM 0 HE3 MET A 36 -11.058 0.582 -1.356 1.00 14.41 H new ATOM 606 N PRO A 37 -9.625 3.627 4.200 1.00 52.41 N ATOM 607 CA PRO A 37 -8.675 4.721 3.974 1.00 34.11 C ATOM 608 C PRO A 37 -7.851 4.520 2.707 1.00 0.41 C ATOM 609 O PRO A 37 -7.719 3.401 2.211 1.00 72.24 O ATOM 610 CB PRO A 37 -7.776 4.670 5.211 1.00 5.33 C ATOM 611 CG PRO A 37 -7.858 3.259 5.682 1.00 12.43 C ATOM 612 CD PRO A 37 -9.250 2.794 5.355 1.00 51.42 C ATOM 0 HA PRO A 37 -9.179 5.678 3.836 1.00 34.11 H new ATOM 0 HB2 PRO A 37 -6.750 4.947 4.967 1.00 5.33 H new ATOM 0 HB3 PRO A 37 -8.119 5.364 5.978 1.00 5.33 H new ATOM 0 HG2 PRO A 37 -7.112 2.638 5.186 1.00 12.43 H new ATOM 0 HG3 PRO A 37 -7.666 3.193 6.753 1.00 12.43 H new ATOM 0 HD2 PRO A 37 -9.272 1.732 5.109 1.00 51.42 H new ATOM 0 HD3 PRO A 37 -9.930 2.941 6.194 1.00 51.42 H new ATOM 620 N LEU A 38 -7.297 5.611 2.188 1.00 34.24 N ATOM 621 CA LEU A 38 -6.484 5.555 0.978 1.00 34.44 C ATOM 622 C LEU A 38 -5.013 5.796 1.299 1.00 21.25 C ATOM 623 O LEU A 38 -4.601 5.725 2.457 1.00 32.40 O ATOM 624 CB LEU A 38 -6.973 6.589 -0.037 1.00 0.44 C ATOM 625 CG LEU A 38 -7.009 6.134 -1.496 1.00 22.53 C ATOM 626 CD1 LEU A 38 -8.419 5.726 -1.893 1.00 51.33 C ATOM 627 CD2 LEU A 38 -6.491 7.234 -2.411 1.00 33.40 C ATOM 0 H LEU A 38 -7.396 6.545 2.586 1.00 34.24 H new ATOM 0 HA LEU A 38 -6.584 4.558 0.548 1.00 34.44 H new ATOM 0 HB2 LEU A 38 -7.977 6.903 0.249 1.00 0.44 H new ATOM 0 HB3 LEU A 38 -6.332 7.468 0.033 1.00 0.44 H new ATOM 0 HG LEU A 38 -6.359 5.266 -1.602 1.00 22.53 H new ATOM 0 HD11 LEU A 38 -8.425 5.405 -2.935 1.00 51.33 H new ATOM 0 HD12 LEU A 38 -8.752 4.905 -1.258 1.00 51.33 H new ATOM 0 HD13 LEU A 38 -9.091 6.575 -1.771 1.00 51.33 H new ATOM 0 HD21 LEU A 38 -6.524 6.892 -3.446 1.00 33.40 H new ATOM 0 HD22 LEU A 38 -7.114 8.122 -2.302 1.00 33.40 H new ATOM 0 HD23 LEU A 38 -5.463 7.477 -2.142 1.00 33.40 H new ATOM 639 N GLN A 39 -4.227 6.083 0.267 1.00 3.21 N ATOM 640 CA GLN A 39 -2.801 6.337 0.440 1.00 32.43 C ATOM 641 C GLN A 39 -2.565 7.702 1.078 1.00 25.40 C ATOM 642 O GLN A 39 -1.777 7.832 2.015 1.00 31.21 O ATOM 643 CB GLN A 39 -2.080 6.258 -0.906 1.00 73.25 C ATOM 644 CG GLN A 39 -0.570 6.143 -0.782 1.00 44.11 C ATOM 645 CD GLN A 39 0.135 7.471 -0.977 1.00 55.42 C ATOM 646 OE1 GLN A 39 0.927 7.897 -0.136 1.00 71.51 O ATOM 647 NE2 GLN A 39 -0.151 8.135 -2.091 1.00 52.23 N ATOM 0 H GLN A 39 -4.553 6.146 -0.698 1.00 3.21 H new ATOM 0 HA GLN A 39 -2.399 5.572 1.104 1.00 32.43 H new ATOM 0 HB2 GLN A 39 -2.457 5.399 -1.461 1.00 73.25 H new ATOM 0 HB3 GLN A 39 -2.322 7.146 -1.491 1.00 73.25 H new ATOM 0 HG2 GLN A 39 -0.319 5.744 0.201 1.00 44.11 H new ATOM 0 HG3 GLN A 39 -0.202 5.429 -1.519 1.00 44.11 H new ATOM 0 HE21 GLN A 39 -0.814 7.745 -2.761 1.00 52.23 H new ATOM 0 HE22 GLN A 39 0.292 9.035 -2.276 1.00 52.23 H new ATOM 656 N SER A 40 -3.251 8.717 0.563 1.00 31.24 N ATOM 657 CA SER A 40 -3.112 10.073 1.080 1.00 53.41 C ATOM 658 C SER A 40 -4.320 10.925 0.702 1.00 74.14 C ATOM 659 O SER A 40 -5.171 11.222 1.541 1.00 72.22 O ATOM 660 CB SER A 40 -1.832 10.717 0.544 1.00 52.40 C ATOM 661 OG SER A 40 -0.759 10.552 1.454 1.00 3.41 O ATOM 0 H SER A 40 -3.908 8.626 -0.212 1.00 31.24 H new ATOM 0 HA SER A 40 -3.055 10.017 2.167 1.00 53.41 H new ATOM 0 HB2 SER A 40 -1.571 10.271 -0.416 1.00 52.40 H new ATOM 0 HB3 SER A 40 -2.002 11.779 0.366 1.00 52.40 H new ATOM 0 HG SER A 40 -0.808 9.661 1.860 1.00 3.41 H new ATOM 667 N ILE A 41 -4.388 11.314 -0.567 1.00 2.31 N ATOM 668 CA ILE A 41 -5.491 12.131 -1.057 1.00 73.43 C ATOM 669 C ILE A 41 -6.222 11.437 -2.202 1.00 34.45 C ATOM 670 O ILE A 41 -5.807 11.489 -3.359 1.00 41.23 O ATOM 671 CB ILE A 41 -5.002 13.510 -1.537 1.00 64.45 C ATOM 672 CG1 ILE A 41 -4.249 14.227 -0.415 1.00 63.11 C ATOM 673 CG2 ILE A 41 -6.175 14.351 -2.017 1.00 61.34 C ATOM 674 CD1 ILE A 41 -3.490 15.449 -0.882 1.00 0.54 C ATOM 0 H ILE A 41 -3.692 11.076 -1.274 1.00 2.31 H new ATOM 0 HA ILE A 41 -6.176 12.269 -0.221 1.00 73.43 H new ATOM 0 HB ILE A 41 -4.318 13.365 -2.373 1.00 64.45 H new ATOM 0 HG12 ILE A 41 -4.959 14.523 0.357 1.00 63.11 H new ATOM 0 HG13 ILE A 41 -3.550 13.529 0.046 1.00 63.11 H new ATOM 0 HG21 ILE A 41 -5.813 15.323 -2.353 1.00 61.34 H new ATOM 0 HG22 ILE A 41 -6.672 13.844 -2.844 1.00 61.34 H new ATOM 0 HG23 ILE A 41 -6.882 14.490 -1.199 1.00 61.34 H new ATOM 0 HD11 ILE A 41 -2.980 15.907 -0.034 1.00 0.54 H new ATOM 0 HD12 ILE A 41 -2.755 15.156 -1.632 1.00 0.54 H new ATOM 0 HD13 ILE A 41 -4.187 16.166 -1.317 1.00 0.54 H new ATOM 686 N PRO A 42 -7.339 10.771 -1.873 1.00 34.14 N ATOM 687 CA PRO A 42 -8.154 10.055 -2.859 1.00 50.31 C ATOM 688 C PRO A 42 -8.881 11.003 -3.808 1.00 24.43 C ATOM 689 O PRO A 42 -9.783 11.733 -3.399 1.00 20.51 O ATOM 690 CB PRO A 42 -9.159 9.286 -1.998 1.00 61.23 C ATOM 691 CG PRO A 42 -9.256 10.071 -0.736 1.00 54.43 C ATOM 692 CD PRO A 42 -7.894 10.666 -0.512 1.00 45.13 C ATOM 0 HA PRO A 42 -7.548 9.417 -3.503 1.00 50.31 H new ATOM 0 HB2 PRO A 42 -10.127 9.210 -2.492 1.00 61.23 H new ATOM 0 HB3 PRO A 42 -8.819 8.268 -1.806 1.00 61.23 H new ATOM 0 HG2 PRO A 42 -10.013 10.850 -0.819 1.00 54.43 H new ATOM 0 HG3 PRO A 42 -9.545 9.433 0.099 1.00 54.43 H new ATOM 0 HD2 PRO A 42 -7.956 11.640 -0.027 1.00 45.13 H new ATOM 0 HD3 PRO A 42 -7.278 10.031 0.125 1.00 45.13 H new ATOM 700 N GLU A 43 -8.481 10.985 -5.076 1.00 33.24 N ATOM 701 CA GLU A 43 -9.096 11.844 -6.081 1.00 64.54 C ATOM 702 C GLU A 43 -9.044 11.190 -7.459 1.00 74.13 C ATOM 703 O GLU A 43 -8.056 10.548 -7.817 1.00 52.42 O ATOM 704 CB GLU A 43 -8.392 13.202 -6.123 1.00 34.14 C ATOM 705 CG GLU A 43 -9.265 14.323 -6.662 1.00 61.21 C ATOM 706 CD GLU A 43 -8.454 15.489 -7.193 1.00 12.35 C ATOM 707 OE1 GLU A 43 -7.330 15.706 -6.693 1.00 33.14 O ATOM 708 OE2 GLU A 43 -8.943 16.185 -8.107 1.00 11.44 O ATOM 0 H GLU A 43 -7.735 10.386 -5.431 1.00 33.24 H new ATOM 0 HA GLU A 43 -10.140 11.992 -5.806 1.00 64.54 H new ATOM 0 HB2 GLU A 43 -8.061 13.462 -5.117 1.00 34.14 H new ATOM 0 HB3 GLU A 43 -7.498 13.120 -6.741 1.00 34.14 H new ATOM 0 HG2 GLU A 43 -9.899 13.934 -7.458 1.00 61.21 H new ATOM 0 HG3 GLU A 43 -9.927 14.676 -5.871 1.00 61.21 H new ATOM 715 N ILE A 44 -10.116 11.357 -8.227 1.00 41.31 N ATOM 716 CA ILE A 44 -10.193 10.785 -9.565 1.00 72.42 C ATOM 717 C ILE A 44 -11.051 11.648 -10.484 1.00 45.31 C ATOM 718 O ILE A 44 -12.214 11.921 -10.190 1.00 63.34 O ATOM 719 CB ILE A 44 -10.771 9.357 -9.534 1.00 51.42 C ATOM 720 CG1 ILE A 44 -9.804 8.408 -8.824 1.00 72.54 C ATOM 721 CG2 ILE A 44 -11.058 8.871 -10.947 1.00 51.40 C ATOM 722 CD1 ILE A 44 -10.050 8.296 -7.336 1.00 52.00 C ATOM 0 H ILE A 44 -10.943 11.884 -7.945 1.00 41.31 H new ATOM 0 HA ILE A 44 -9.174 10.749 -9.951 1.00 72.42 H new ATOM 0 HB ILE A 44 -11.709 9.372 -8.979 1.00 51.42 H new ATOM 0 HG12 ILE A 44 -9.884 7.418 -9.273 1.00 72.54 H new ATOM 0 HG13 ILE A 44 -8.783 8.751 -8.990 1.00 72.54 H new ATOM 0 HG21 ILE A 44 -11.466 7.861 -10.909 1.00 51.40 H new ATOM 0 HG22 ILE A 44 -11.780 9.536 -11.421 1.00 51.40 H new ATOM 0 HG23 ILE A 44 -10.134 8.867 -11.525 1.00 51.40 H new ATOM 0 HD11 ILE A 44 -9.328 7.607 -6.899 1.00 52.00 H new ATOM 0 HD12 ILE A 44 -9.941 9.277 -6.874 1.00 52.00 H new ATOM 0 HD13 ILE A 44 -11.059 7.923 -7.161 1.00 52.00 H new ATOM 734 N GLY A 45 -10.467 12.075 -11.600 1.00 53.42 N ATOM 735 CA GLY A 45 -11.193 12.902 -12.547 1.00 2.54 C ATOM 736 C GLY A 45 -10.904 14.380 -12.366 1.00 71.50 C ATOM 737 O GLY A 45 -10.083 14.950 -13.082 1.00 40.35 O ATOM 0 H GLY A 45 -9.505 11.863 -11.865 1.00 53.42 H new ATOM 0 HA2 GLY A 45 -10.929 12.605 -13.562 1.00 2.54 H new ATOM 0 HA3 GLY A 45 -12.263 12.727 -12.432 1.00 2.54 H new ATOM 741 N ASN A 46 -11.583 15.001 -11.407 1.00 24.54 N ATOM 742 CA ASN A 46 -11.396 16.421 -11.136 1.00 12.44 C ATOM 743 C ASN A 46 -12.284 16.876 -9.981 1.00 24.01 C ATOM 744 O ASN A 46 -12.928 17.922 -10.054 1.00 41.45 O ATOM 745 CB ASN A 46 -11.706 17.245 -12.387 1.00 13.41 C ATOM 746 CG ASN A 46 -10.740 18.399 -12.574 1.00 10.24 C ATOM 747 OD1 ASN A 46 -9.597 18.205 -12.987 1.00 3.21 O ATOM 748 ND2 ASN A 46 -11.197 19.608 -12.268 1.00 45.35 N ATOM 0 H ASN A 46 -12.267 14.543 -10.805 1.00 24.54 H new ATOM 0 HA ASN A 46 -10.355 16.578 -10.854 1.00 12.44 H new ATOM 0 HB2 ASN A 46 -11.669 16.598 -13.263 1.00 13.41 H new ATOM 0 HB3 ASN A 46 -12.722 17.633 -12.320 1.00 13.41 H new ATOM 0 HD21 ASN A 46 -10.593 20.423 -12.372 1.00 45.35 H new ATOM 0 HD22 ASN A 46 -12.152 19.721 -11.929 1.00 45.35 H new ATOM 755 N ARG A 47 -12.311 16.082 -8.915 1.00 52.42 N ATOM 756 CA ARG A 47 -13.120 16.403 -7.745 1.00 24.41 C ATOM 757 C ARG A 47 -14.606 16.388 -8.090 1.00 62.03 C ATOM 758 O ARG A 47 -15.101 17.274 -8.787 1.00 74.10 O ATOM 759 CB ARG A 47 -12.728 17.772 -7.187 1.00 51.34 C ATOM 760 CG ARG A 47 -11.228 18.017 -7.172 1.00 11.43 C ATOM 761 CD ARG A 47 -10.902 19.452 -6.788 1.00 11.21 C ATOM 762 NE ARG A 47 -10.081 20.116 -7.797 1.00 61.30 N ATOM 763 CZ ARG A 47 -10.576 20.676 -8.895 1.00 60.21 C ATOM 764 NH1 ARG A 47 -11.882 20.653 -9.124 1.00 43.00 N ATOM 765 NH2 ARG A 47 -9.764 21.261 -9.767 1.00 33.13 N ATOM 0 H ARG A 47 -11.783 15.213 -8.838 1.00 52.42 H new ATOM 0 HA ARG A 47 -12.934 15.643 -6.986 1.00 24.41 H new ATOM 0 HB2 ARG A 47 -13.208 18.549 -7.782 1.00 51.34 H new ATOM 0 HB3 ARG A 47 -13.113 17.865 -6.171 1.00 51.34 H new ATOM 0 HG2 ARG A 47 -10.754 17.334 -6.467 1.00 11.43 H new ATOM 0 HG3 ARG A 47 -10.813 17.799 -8.156 1.00 11.43 H new ATOM 0 HD2 ARG A 47 -11.828 20.010 -6.650 1.00 11.21 H new ATOM 0 HD3 ARG A 47 -10.379 19.461 -5.832 1.00 11.21 H new ATOM 0 HE ARG A 47 -9.072 20.152 -7.650 1.00 61.30 H new ATOM 0 HH11 ARG A 47 -12.509 20.205 -8.456 1.00 43.00 H new ATOM 0 HH12 ARG A 47 -12.259 21.084 -9.968 1.00 43.00 H new ATOM 0 HH21 ARG A 47 -8.759 21.281 -9.594 1.00 33.13 H new ATOM 0 HH22 ARG A 47 -10.145 21.691 -10.610 1.00 33.13 H new ATOM 779 N LYS A 48 -15.312 15.376 -7.599 1.00 32.32 N ATOM 780 CA LYS A 48 -16.742 15.245 -7.854 1.00 22.43 C ATOM 781 C LYS A 48 -17.461 14.672 -6.637 1.00 33.03 C ATOM 782 O LYS A 48 -18.603 14.222 -6.734 1.00 55.31 O ATOM 783 CB LYS A 48 -16.984 14.349 -9.071 1.00 23.34 C ATOM 784 CG LYS A 48 -17.182 15.120 -10.364 1.00 32.01 C ATOM 785 CD LYS A 48 -16.914 14.249 -11.580 1.00 24.14 C ATOM 786 CE LYS A 48 -15.430 13.948 -11.733 1.00 54.52 C ATOM 787 NZ LYS A 48 -14.870 14.543 -12.978 1.00 72.24 N ATOM 0 H LYS A 48 -14.917 14.634 -7.022 1.00 32.32 H new ATOM 0 HA LYS A 48 -17.142 16.238 -8.056 1.00 22.43 H new ATOM 0 HB2 LYS A 48 -16.138 13.672 -9.187 1.00 23.34 H new ATOM 0 HB3 LYS A 48 -17.863 13.731 -8.888 1.00 23.34 H new ATOM 0 HG2 LYS A 48 -18.201 15.503 -10.408 1.00 32.01 H new ATOM 0 HG3 LYS A 48 -16.516 15.983 -10.380 1.00 32.01 H new ATOM 0 HD2 LYS A 48 -17.469 13.315 -11.489 1.00 24.14 H new ATOM 0 HD3 LYS A 48 -17.279 14.751 -12.476 1.00 24.14 H new ATOM 0 HE2 LYS A 48 -14.890 14.336 -10.870 1.00 54.52 H new ATOM 0 HE3 LYS A 48 -15.278 12.869 -11.746 1.00 54.52 H new ATOM 0 HZ1 LYS A 48 -13.857 14.316 -13.046 1.00 72.24 H new ATOM 0 HZ2 LYS A 48 -15.368 14.154 -13.804 1.00 72.24 H new ATOM 0 HZ3 LYS A 48 -14.993 15.575 -12.955 1.00 72.24 H new ATOM 801 N ILE A 49 -16.787 14.693 -5.492 1.00 43.21 N ATOM 802 CA ILE A 49 -17.364 14.178 -4.256 1.00 45.44 C ATOM 803 C ILE A 49 -18.195 15.245 -3.552 1.00 0.02 C ATOM 804 O ILE A 49 -18.881 14.964 -2.570 1.00 24.41 O ATOM 805 CB ILE A 49 -16.273 13.674 -3.293 1.00 43.51 C ATOM 806 CG1 ILE A 49 -15.095 13.095 -4.080 1.00 1.53 C ATOM 807 CG2 ILE A 49 -16.845 12.633 -2.343 1.00 11.31 C ATOM 808 CD1 ILE A 49 -15.496 12.020 -5.065 1.00 34.14 C ATOM 0 H ILE A 49 -15.841 15.061 -5.394 1.00 43.21 H new ATOM 0 HA ILE A 49 -18.008 13.343 -4.531 1.00 45.44 H new ATOM 0 HB ILE A 49 -15.912 14.517 -2.703 1.00 43.51 H new ATOM 0 HG12 ILE A 49 -14.597 13.901 -4.618 1.00 1.53 H new ATOM 0 HG13 ILE A 49 -14.369 12.682 -3.380 1.00 1.53 H new ATOM 0 HG21 ILE A 49 -16.062 12.286 -1.669 1.00 11.31 H new ATOM 0 HG22 ILE A 49 -17.654 13.076 -1.762 1.00 11.31 H new ATOM 0 HG23 ILE A 49 -17.230 11.790 -2.916 1.00 11.31 H new ATOM 0 HD11 ILE A 49 -14.611 11.656 -5.587 1.00 34.14 H new ATOM 0 HD12 ILE A 49 -15.968 11.195 -4.531 1.00 34.14 H new ATOM 0 HD13 ILE A 49 -16.199 12.433 -5.788 1.00 34.14 H new ATOM 820 N ASN A 50 -18.130 16.471 -4.062 1.00 30.33 N ATOM 821 CA ASN A 50 -18.878 17.580 -3.482 1.00 12.30 C ATOM 822 C ASN A 50 -20.360 17.478 -3.830 1.00 31.33 C ATOM 823 O ASN A 50 -20.729 16.934 -4.871 1.00 64.55 O ATOM 824 CB ASN A 50 -18.318 18.915 -3.978 1.00 23.22 C ATOM 825 CG ASN A 50 -19.027 20.105 -3.360 1.00 64.23 C ATOM 826 OD1 ASN A 50 -19.378 20.088 -2.181 1.00 12.44 O ATOM 827 ND2 ASN A 50 -19.240 21.145 -4.158 1.00 0.14 N ATOM 0 H ASN A 50 -17.567 16.721 -4.875 1.00 30.33 H new ATOM 0 HA ASN A 50 -18.773 17.529 -2.398 1.00 12.30 H new ATOM 0 HB2 ASN A 50 -17.254 18.968 -3.746 1.00 23.22 H new ATOM 0 HB3 ASN A 50 -18.410 18.964 -5.063 1.00 23.22 H new ATOM 0 HD21 ASN A 50 -19.713 21.975 -3.799 1.00 0.14 H new ATOM 0 HD22 ASN A 50 -18.931 21.114 -5.130 1.00 0.14 H new ATOM 834 N LEU A 51 -21.206 18.005 -2.951 1.00 60.42 N ATOM 835 CA LEU A 51 -22.649 17.974 -3.165 1.00 23.52 C ATOM 836 C LEU A 51 -23.055 18.935 -4.277 1.00 14.23 C ATOM 837 O LEU A 51 -24.109 18.778 -4.893 1.00 74.13 O ATOM 838 CB LEU A 51 -23.383 18.331 -1.872 1.00 14.14 C ATOM 839 CG LEU A 51 -24.228 17.219 -1.250 1.00 32.51 C ATOM 840 CD1 LEU A 51 -23.385 15.974 -1.018 1.00 0.43 C ATOM 841 CD2 LEU A 51 -24.856 17.691 0.053 1.00 30.55 C ATOM 0 H LEU A 51 -20.918 18.459 -2.084 1.00 60.42 H new ATOM 0 HA LEU A 51 -22.926 16.963 -3.465 1.00 23.52 H new ATOM 0 HB2 LEU A 51 -22.646 18.654 -1.137 1.00 14.14 H new ATOM 0 HB3 LEU A 51 -24.031 19.185 -2.070 1.00 14.14 H new ATOM 0 HG LEU A 51 -25.029 16.966 -1.945 1.00 32.51 H new ATOM 0 HD11 LEU A 51 -24.003 15.193 -0.575 1.00 0.43 H new ATOM 0 HD12 LEU A 51 -22.984 15.623 -1.969 1.00 0.43 H new ATOM 0 HD13 LEU A 51 -22.562 16.212 -0.344 1.00 0.43 H new ATOM 0 HD21 LEU A 51 -25.454 16.886 0.481 1.00 30.55 H new ATOM 0 HD22 LEU A 51 -24.071 17.972 0.754 1.00 30.55 H new ATOM 0 HD23 LEU A 51 -25.494 18.553 -0.142 1.00 30.55 H new ATOM 853 N PHE A 52 -22.212 19.930 -4.529 1.00 43.42 N ATOM 854 CA PHE A 52 -22.482 20.917 -5.568 1.00 55.30 C ATOM 855 C PHE A 52 -21.845 20.503 -6.891 1.00 74.12 C ATOM 856 O PHE A 52 -22.393 20.759 -7.964 1.00 34.33 O ATOM 857 CB PHE A 52 -21.959 22.291 -5.145 1.00 5.20 C ATOM 858 CG PHE A 52 -22.989 23.380 -5.236 1.00 33.11 C ATOM 859 CD1 PHE A 52 -23.936 23.541 -4.237 1.00 2.12 C ATOM 860 CD2 PHE A 52 -23.012 24.242 -6.320 1.00 45.30 C ATOM 861 CE1 PHE A 52 -24.886 24.542 -4.319 1.00 22.54 C ATOM 862 CE2 PHE A 52 -23.959 25.245 -6.407 1.00 0.00 C ATOM 863 CZ PHE A 52 -24.897 25.395 -5.404 1.00 43.33 C ATOM 0 H PHE A 52 -21.335 20.075 -4.028 1.00 43.42 H new ATOM 0 HA PHE A 52 -23.562 20.974 -5.707 1.00 55.30 H new ATOM 0 HB2 PHE A 52 -21.594 22.232 -4.119 1.00 5.20 H new ATOM 0 HB3 PHE A 52 -21.107 22.555 -5.771 1.00 5.20 H new ATOM 0 HD1 PHE A 52 -23.932 22.877 -3.385 1.00 2.12 H new ATOM 0 HD2 PHE A 52 -22.281 24.129 -7.107 1.00 45.30 H new ATOM 0 HE1 PHE A 52 -25.619 24.656 -3.534 1.00 22.54 H new ATOM 0 HE2 PHE A 52 -23.966 25.910 -7.258 1.00 0.00 H new ATOM 0 HZ PHE A 52 -25.638 26.178 -5.469 1.00 43.33 H new ATOM 873 N TYR A 53 -20.685 19.862 -6.807 1.00 2.31 N ATOM 874 CA TYR A 53 -19.971 19.415 -7.997 1.00 24.23 C ATOM 875 C TYR A 53 -20.670 18.218 -8.634 1.00 55.54 C ATOM 876 O TYR A 53 -20.936 18.208 -9.837 1.00 64.33 O ATOM 877 CB TYR A 53 -18.528 19.047 -7.643 1.00 55.34 C ATOM 878 CG TYR A 53 -17.578 19.131 -8.816 1.00 63.41 C ATOM 879 CD1 TYR A 53 -17.785 18.370 -9.960 1.00 35.31 C ATOM 880 CD2 TYR A 53 -16.472 19.971 -8.781 1.00 0.44 C ATOM 881 CE1 TYR A 53 -16.919 18.442 -11.033 1.00 41.32 C ATOM 882 CE2 TYR A 53 -15.601 20.051 -9.850 1.00 1.41 C ATOM 883 CZ TYR A 53 -15.828 19.285 -10.974 1.00 33.44 C ATOM 884 OH TYR A 53 -14.964 19.361 -12.041 1.00 65.23 O ATOM 0 H TYR A 53 -20.219 19.640 -5.927 1.00 2.31 H new ATOM 0 HA TYR A 53 -19.965 20.235 -8.716 1.00 24.23 H new ATOM 0 HB2 TYR A 53 -18.176 19.710 -6.853 1.00 55.34 H new ATOM 0 HB3 TYR A 53 -18.508 18.034 -7.242 1.00 55.34 H new ATOM 0 HD1 TYR A 53 -18.639 17.710 -10.011 1.00 35.31 H new ATOM 0 HD2 TYR A 53 -16.290 20.572 -7.902 1.00 0.44 H new ATOM 0 HE1 TYR A 53 -17.094 17.842 -11.914 1.00 41.32 H new ATOM 0 HE2 TYR A 53 -14.747 20.710 -9.806 1.00 1.41 H new ATOM 0 HH TYR A 53 -14.250 20.001 -11.839 1.00 65.23 H new ATOM 894 N LEU A 54 -20.968 17.212 -7.820 1.00 3.23 N ATOM 895 CA LEU A 54 -21.638 16.010 -8.302 1.00 61.42 C ATOM 896 C LEU A 54 -23.000 16.348 -8.899 1.00 35.33 C ATOM 897 O LEU A 54 -23.467 15.682 -9.823 1.00 72.22 O ATOM 898 CB LEU A 54 -21.803 15.002 -7.163 1.00 10.10 C ATOM 899 CG LEU A 54 -22.296 13.611 -7.563 1.00 55.32 C ATOM 900 CD1 LEU A 54 -21.308 12.946 -8.508 1.00 73.15 C ATOM 901 CD2 LEU A 54 -22.520 12.749 -6.329 1.00 52.33 C ATOM 0 H LEU A 54 -20.756 17.205 -6.822 1.00 3.23 H new ATOM 0 HA LEU A 54 -21.019 15.568 -9.083 1.00 61.42 H new ATOM 0 HB2 LEU A 54 -20.843 14.894 -6.659 1.00 10.10 H new ATOM 0 HB3 LEU A 54 -22.500 15.417 -6.435 1.00 10.10 H new ATOM 0 HG LEU A 54 -23.248 13.720 -8.083 1.00 55.32 H new ATOM 0 HD11 LEU A 54 -21.676 11.957 -8.782 1.00 73.15 H new ATOM 0 HD12 LEU A 54 -21.198 13.554 -9.406 1.00 73.15 H new ATOM 0 HD13 LEU A 54 -20.341 12.850 -8.014 1.00 73.15 H new ATOM 0 HD21 LEU A 54 -22.871 11.763 -6.633 1.00 52.33 H new ATOM 0 HD22 LEU A 54 -21.583 12.648 -5.781 1.00 52.33 H new ATOM 0 HD23 LEU A 54 -23.267 13.218 -5.688 1.00 52.33 H new ATOM 913 N TYR A 55 -23.632 17.387 -8.365 1.00 53.23 N ATOM 914 CA TYR A 55 -24.942 17.814 -8.845 1.00 24.03 C ATOM 915 C TYR A 55 -24.818 18.577 -10.160 1.00 60.11 C ATOM 916 O TYR A 55 -25.566 18.331 -11.106 1.00 22.51 O ATOM 917 CB TYR A 55 -25.631 18.690 -7.797 1.00 61.31 C ATOM 918 CG TYR A 55 -27.125 18.809 -7.996 1.00 31.12 C ATOM 919 CD1 TYR A 55 -27.923 17.677 -8.106 1.00 33.22 C ATOM 920 CD2 TYR A 55 -27.739 20.053 -8.075 1.00 25.14 C ATOM 921 CE1 TYR A 55 -29.289 17.781 -8.288 1.00 62.51 C ATOM 922 CE2 TYR A 55 -29.103 20.166 -8.255 1.00 53.22 C ATOM 923 CZ TYR A 55 -29.874 19.027 -8.362 1.00 11.33 C ATOM 924 OH TYR A 55 -31.234 19.136 -8.543 1.00 62.02 O ATOM 0 H TYR A 55 -23.259 17.949 -7.600 1.00 53.23 H new ATOM 0 HA TYR A 55 -25.546 16.923 -9.018 1.00 24.03 H new ATOM 0 HB2 TYR A 55 -25.436 18.278 -6.807 1.00 61.31 H new ATOM 0 HB3 TYR A 55 -25.189 19.686 -7.821 1.00 61.31 H new ATOM 0 HD1 TYR A 55 -27.468 16.699 -8.048 1.00 33.22 H new ATOM 0 HD2 TYR A 55 -27.139 20.947 -7.994 1.00 25.14 H new ATOM 0 HE1 TYR A 55 -29.895 16.891 -8.372 1.00 62.51 H new ATOM 0 HE2 TYR A 55 -29.564 21.141 -8.312 1.00 53.22 H new ATOM 0 HH TYR A 55 -31.485 20.083 -8.572 1.00 62.02 H new ATOM 934 N MET A 56 -23.867 19.504 -10.212 1.00 15.35 N ATOM 935 CA MET A 56 -23.644 20.303 -11.411 1.00 65.11 C ATOM 936 C MET A 56 -23.313 19.411 -12.604 1.00 10.32 C ATOM 937 O MET A 56 -23.797 19.638 -13.714 1.00 24.41 O ATOM 938 CB MET A 56 -22.511 21.304 -11.179 1.00 4.43 C ATOM 939 CG MET A 56 -22.456 22.412 -12.218 1.00 62.15 C ATOM 940 SD MET A 56 -20.785 22.713 -12.825 1.00 62.35 S ATOM 941 CE MET A 56 -20.802 24.496 -12.995 1.00 72.33 C ATOM 0 H MET A 56 -23.239 19.720 -9.438 1.00 15.35 H new ATOM 0 HA MET A 56 -24.562 20.848 -11.630 1.00 65.11 H new ATOM 0 HB2 MET A 56 -22.627 21.749 -10.191 1.00 4.43 H new ATOM 0 HB3 MET A 56 -21.560 20.770 -11.178 1.00 4.43 H new ATOM 0 HG2 MET A 56 -23.101 22.151 -13.057 1.00 62.15 H new ATOM 0 HG3 MET A 56 -22.852 23.331 -11.785 1.00 62.15 H new ATOM 0 HE1 MET A 56 -20.079 24.796 -13.753 1.00 72.33 H new ATOM 0 HE2 MET A 56 -21.798 24.824 -13.294 1.00 72.33 H new ATOM 0 HE3 MET A 56 -20.540 24.955 -12.042 1.00 72.33 H new ATOM 951 N LEU A 57 -22.487 18.398 -12.368 1.00 41.02 N ATOM 952 CA LEU A 57 -22.091 17.472 -13.424 1.00 35.12 C ATOM 953 C LEU A 57 -23.307 16.756 -14.003 1.00 70.52 C ATOM 954 O LEU A 57 -23.477 16.684 -15.220 1.00 61.14 O ATOM 955 CB LEU A 57 -21.092 16.448 -12.883 1.00 44.31 C ATOM 956 CG LEU A 57 -20.487 15.492 -13.912 1.00 51.31 C ATOM 957 CD1 LEU A 57 -19.081 15.933 -14.289 1.00 32.02 C ATOM 958 CD2 LEU A 57 -20.476 14.068 -13.375 1.00 42.41 C ATOM 0 H LEU A 57 -22.078 18.197 -11.455 1.00 41.02 H new ATOM 0 HA LEU A 57 -21.617 18.047 -14.220 1.00 35.12 H new ATOM 0 HB2 LEU A 57 -20.279 16.986 -12.395 1.00 44.31 H new ATOM 0 HB3 LEU A 57 -21.589 15.856 -12.115 1.00 44.31 H new ATOM 0 HG LEU A 57 -21.105 15.516 -14.809 1.00 51.31 H new ATOM 0 HD11 LEU A 57 -18.667 15.241 -15.022 1.00 32.02 H new ATOM 0 HD12 LEU A 57 -19.116 16.935 -14.716 1.00 32.02 H new ATOM 0 HD13 LEU A 57 -18.451 15.939 -13.400 1.00 32.02 H new ATOM 0 HD21 LEU A 57 -20.042 13.401 -14.120 1.00 42.41 H new ATOM 0 HD22 LEU A 57 -19.881 14.028 -12.462 1.00 42.41 H new ATOM 0 HD23 LEU A 57 -21.497 13.753 -13.157 1.00 42.41 H new ATOM 970 N VAL A 58 -24.152 16.228 -13.123 1.00 21.11 N ATOM 971 CA VAL A 58 -25.354 15.520 -13.547 1.00 20.14 C ATOM 972 C VAL A 58 -26.263 16.425 -14.371 1.00 63.41 C ATOM 973 O VAL A 58 -26.714 16.048 -15.452 1.00 64.43 O ATOM 974 CB VAL A 58 -26.143 14.981 -12.338 1.00 53.45 C ATOM 975 CG1 VAL A 58 -27.376 14.221 -12.802 1.00 72.31 C ATOM 976 CG2 VAL A 58 -25.256 14.099 -11.473 1.00 71.04 C ATOM 0 H VAL A 58 -24.026 16.277 -12.112 1.00 21.11 H new ATOM 0 HA VAL A 58 -25.028 14.681 -14.162 1.00 20.14 H new ATOM 0 HB VAL A 58 -26.473 15.827 -11.734 1.00 53.45 H new ATOM 0 HG11 VAL A 58 -27.921 13.848 -11.935 1.00 72.31 H new ATOM 0 HG12 VAL A 58 -28.020 14.888 -13.376 1.00 72.31 H new ATOM 0 HG13 VAL A 58 -27.072 13.382 -13.428 1.00 72.31 H new ATOM 0 HG21 VAL A 58 -25.830 13.727 -10.624 1.00 71.04 H new ATOM 0 HG22 VAL A 58 -24.894 13.257 -12.063 1.00 71.04 H new ATOM 0 HG23 VAL A 58 -24.408 14.680 -11.111 1.00 71.04 H new ATOM 986 N GLN A 59 -26.527 17.620 -13.853 1.00 23.31 N ATOM 987 CA GLN A 59 -27.382 18.578 -14.542 1.00 13.50 C ATOM 988 C GLN A 59 -26.806 18.940 -15.907 1.00 71.51 C ATOM 989 O GLN A 59 -27.545 19.163 -16.866 1.00 35.11 O ATOM 990 CB GLN A 59 -27.552 19.842 -13.697 1.00 33.14 C ATOM 991 CG GLN A 59 -28.778 20.661 -14.067 1.00 41.51 C ATOM 992 CD GLN A 59 -28.478 22.143 -14.177 1.00 44.30 C ATOM 993 OE1 GLN A 59 -27.622 22.670 -13.465 1.00 31.33 O ATOM 994 NE2 GLN A 59 -29.181 22.825 -15.073 1.00 14.41 N ATOM 0 H GLN A 59 -26.161 17.947 -12.959 1.00 23.31 H new ATOM 0 HA GLN A 59 -28.357 18.114 -14.691 1.00 13.50 H new ATOM 0 HB2 GLN A 59 -27.617 19.560 -12.646 1.00 33.14 H new ATOM 0 HB3 GLN A 59 -26.663 20.464 -13.806 1.00 33.14 H new ATOM 0 HG2 GLN A 59 -29.176 20.303 -15.017 1.00 41.51 H new ATOM 0 HG3 GLN A 59 -29.554 20.506 -13.317 1.00 41.51 H new ATOM 0 HE21 GLN A 59 -29.881 22.349 -15.642 1.00 14.41 H new ATOM 0 HE22 GLN A 59 -29.022 23.825 -15.192 1.00 14.41 H new ATOM 1003 N LYS A 60 -25.481 18.996 -15.988 1.00 71.54 N ATOM 1004 CA LYS A 60 -24.804 19.329 -17.236 1.00 21.40 C ATOM 1005 C LYS A 60 -24.939 18.195 -18.248 1.00 13.31 C ATOM 1006 O LYS A 60 -25.052 18.434 -19.450 1.00 74.45 O ATOM 1007 CB LYS A 60 -23.324 19.620 -16.975 1.00 73.22 C ATOM 1008 CG LYS A 60 -22.929 21.059 -17.256 1.00 11.35 C ATOM 1009 CD LYS A 60 -22.805 21.863 -15.972 1.00 45.32 C ATOM 1010 CE LYS A 60 -22.384 23.298 -16.252 1.00 23.11 C ATOM 1011 NZ LYS A 60 -23.524 24.127 -16.730 1.00 14.42 N ATOM 0 H LYS A 60 -24.854 18.815 -15.204 1.00 71.54 H new ATOM 0 HA LYS A 60 -25.276 20.220 -17.650 1.00 21.40 H new ATOM 0 HB2 LYS A 60 -23.094 19.385 -15.936 1.00 73.22 H new ATOM 0 HB3 LYS A 60 -22.718 18.958 -17.593 1.00 73.22 H new ATOM 0 HG2 LYS A 60 -21.980 21.079 -17.792 1.00 11.35 H new ATOM 0 HG3 LYS A 60 -23.672 21.521 -17.906 1.00 11.35 H new ATOM 0 HD2 LYS A 60 -23.759 21.859 -15.445 1.00 45.32 H new ATOM 0 HD3 LYS A 60 -22.076 21.390 -15.314 1.00 45.32 H new ATOM 0 HE2 LYS A 60 -21.970 23.738 -15.345 1.00 23.11 H new ATOM 0 HE3 LYS A 60 -21.591 23.305 -17.000 1.00 23.11 H new ATOM 0 HZ1 LYS A 60 -23.196 25.098 -16.910 1.00 14.42 H new ATOM 0 HZ2 LYS A 60 -23.903 23.721 -17.609 1.00 14.42 H new ATOM 0 HZ3 LYS A 60 -24.270 24.142 -16.006 1.00 14.42 H new ATOM 1025 N PHE A 61 -24.928 16.962 -17.753 1.00 73.01 N ATOM 1026 CA PHE A 61 -25.050 15.792 -18.614 1.00 74.44 C ATOM 1027 C PHE A 61 -26.493 15.604 -19.076 1.00 43.21 C ATOM 1028 O PHE A 61 -26.778 14.770 -19.934 1.00 20.20 O ATOM 1029 CB PHE A 61 -24.572 14.538 -17.879 1.00 4.44 C ATOM 1030 CG PHE A 61 -23.221 14.058 -18.328 1.00 53.33 C ATOM 1031 CD1 PHE A 61 -23.086 13.325 -19.496 1.00 24.11 C ATOM 1032 CD2 PHE A 61 -22.088 14.340 -17.583 1.00 42.10 C ATOM 1033 CE1 PHE A 61 -21.844 12.882 -19.913 1.00 35.12 C ATOM 1034 CE2 PHE A 61 -20.844 13.900 -17.995 1.00 51.31 C ATOM 1035 CZ PHE A 61 -20.722 13.169 -19.161 1.00 14.23 C ATOM 0 H PHE A 61 -24.836 16.747 -16.760 1.00 73.01 H new ATOM 0 HA PHE A 61 -24.423 15.952 -19.491 1.00 74.44 H new ATOM 0 HB2 PHE A 61 -24.538 14.744 -16.809 1.00 4.44 H new ATOM 0 HB3 PHE A 61 -25.300 13.740 -18.027 1.00 4.44 H new ATOM 0 HD1 PHE A 61 -23.960 13.097 -20.087 1.00 24.11 H new ATOM 0 HD2 PHE A 61 -22.177 14.910 -16.670 1.00 42.10 H new ATOM 0 HE1 PHE A 61 -21.752 12.312 -20.826 1.00 35.12 H new ATOM 0 HE2 PHE A 61 -19.968 14.128 -17.406 1.00 51.31 H new ATOM 0 HZ PHE A 61 -19.751 12.823 -19.484 1.00 14.23 H new ATOM 1045 N GLY A 62 -27.399 16.387 -18.499 1.00 52.41 N ATOM 1046 CA GLY A 62 -28.801 16.292 -18.863 1.00 2.41 C ATOM 1047 C GLY A 62 -29.612 15.513 -17.847 1.00 61.30 C ATOM 1048 O GLY A 62 -30.645 14.934 -18.180 1.00 32.24 O ATOM 0 H GLY A 62 -27.188 17.085 -17.786 1.00 52.41 H new ATOM 0 HA2 GLY A 62 -29.216 17.295 -18.963 1.00 2.41 H new ATOM 0 HA3 GLY A 62 -28.888 15.812 -19.838 1.00 2.41 H new ATOM 1052 N GLY A 63 -29.142 15.496 -16.603 1.00 64.14 N ATOM 1053 CA GLY A 63 -29.842 14.777 -15.555 1.00 63.22 C ATOM 1054 C GLY A 63 -29.457 13.312 -15.501 1.00 31.51 C ATOM 1055 O GLY A 63 -28.988 12.749 -16.490 1.00 2.22 O ATOM 0 H GLY A 63 -28.289 15.968 -16.303 1.00 64.14 H new ATOM 0 HA2 GLY A 63 -29.626 15.242 -14.593 1.00 63.22 H new ATOM 0 HA3 GLY A 63 -30.917 14.861 -15.716 1.00 63.22 H new ATOM 1059 N ALA A 64 -29.655 12.692 -14.342 1.00 2.01 N ATOM 1060 CA ALA A 64 -29.326 11.283 -14.163 1.00 3.42 C ATOM 1061 C ALA A 64 -30.008 10.422 -15.220 1.00 25.40 C ATOM 1062 O ALA A 64 -29.472 9.394 -15.637 1.00 13.14 O ATOM 1063 CB ALA A 64 -29.721 10.822 -12.768 1.00 11.32 C ATOM 0 H ALA A 64 -30.042 13.143 -13.513 1.00 2.01 H new ATOM 0 HA ALA A 64 -28.248 11.169 -14.279 1.00 3.42 H new ATOM 0 HB1 ALA A 64 -29.470 9.768 -12.648 1.00 11.32 H new ATOM 0 HB2 ALA A 64 -29.183 11.410 -12.025 1.00 11.32 H new ATOM 0 HB3 ALA A 64 -30.794 10.957 -12.630 1.00 11.32 H new ATOM 1069 N ASP A 65 -31.191 10.846 -15.649 1.00 61.01 N ATOM 1070 CA ASP A 65 -31.946 10.113 -16.659 1.00 31.25 C ATOM 1071 C ASP A 65 -31.193 10.082 -17.985 1.00 11.41 C ATOM 1072 O ASP A 65 -31.208 9.077 -18.694 1.00 52.14 O ATOM 1073 CB ASP A 65 -33.324 10.746 -16.855 1.00 35.13 C ATOM 1074 CG ASP A 65 -34.010 11.059 -15.539 1.00 73.13 C ATOM 1075 OD1 ASP A 65 -34.471 10.111 -14.871 1.00 34.42 O ATOM 1076 OD2 ASP A 65 -34.087 12.252 -15.179 1.00 3.41 O ATOM 0 H ASP A 65 -31.648 11.694 -15.313 1.00 61.01 H new ATOM 0 HA ASP A 65 -32.072 9.088 -16.310 1.00 31.25 H new ATOM 0 HB2 ASP A 65 -33.220 11.663 -17.434 1.00 35.13 H new ATOM 0 HB3 ASP A 65 -33.951 10.071 -17.437 1.00 35.13 H new ATOM 1081 N GLN A 66 -30.537 11.191 -18.313 1.00 31.14 N ATOM 1082 CA GLN A 66 -29.780 11.291 -19.555 1.00 11.02 C ATOM 1083 C GLN A 66 -28.539 10.406 -19.509 1.00 2.13 C ATOM 1084 O GLN A 66 -28.152 9.808 -20.513 1.00 13.10 O ATOM 1085 CB GLN A 66 -29.376 12.743 -19.815 1.00 12.30 C ATOM 1086 CG GLN A 66 -28.668 12.949 -21.144 1.00 70.03 C ATOM 1087 CD GLN A 66 -29.009 14.279 -21.787 1.00 64.02 C ATOM 1088 OE1 GLN A 66 -28.121 15.057 -22.139 1.00 72.32 O ATOM 1089 NE2 GLN A 66 -30.299 14.548 -21.944 1.00 75.43 N ATOM 0 H GLN A 66 -30.515 12.032 -17.736 1.00 31.14 H new ATOM 0 HA GLN A 66 -30.419 10.948 -20.369 1.00 11.02 H new ATOM 0 HB2 GLN A 66 -30.267 13.370 -19.787 1.00 12.30 H new ATOM 0 HB3 GLN A 66 -28.724 13.080 -19.009 1.00 12.30 H new ATOM 0 HG2 GLN A 66 -27.591 12.890 -20.990 1.00 70.03 H new ATOM 0 HG3 GLN A 66 -28.938 12.141 -21.824 1.00 70.03 H new ATOM 0 HE21 GLN A 66 -31.001 13.875 -21.638 1.00 75.43 H new ATOM 0 HE22 GLN A 66 -30.588 15.428 -22.371 1.00 75.43 H new ATOM 1098 N VAL A 67 -27.917 10.327 -18.336 1.00 54.32 N ATOM 1099 CA VAL A 67 -26.720 9.515 -18.159 1.00 21.32 C ATOM 1100 C VAL A 67 -27.039 8.030 -18.291 1.00 63.24 C ATOM 1101 O VAL A 67 -26.217 7.247 -18.769 1.00 21.54 O ATOM 1102 CB VAL A 67 -26.068 9.768 -16.786 1.00 50.04 C ATOM 1103 CG1 VAL A 67 -24.724 9.061 -16.695 1.00 34.03 C ATOM 1104 CG2 VAL A 67 -25.912 11.261 -16.538 1.00 73.25 C ATOM 0 H VAL A 67 -28.223 10.816 -17.495 1.00 54.32 H new ATOM 0 HA VAL A 67 -26.022 9.805 -18.944 1.00 21.32 H new ATOM 0 HB VAL A 67 -26.719 9.360 -16.013 1.00 50.04 H new ATOM 0 HG11 VAL A 67 -24.278 9.251 -15.719 1.00 34.03 H new ATOM 0 HG12 VAL A 67 -24.867 7.988 -16.826 1.00 34.03 H new ATOM 0 HG13 VAL A 67 -24.062 9.436 -17.475 1.00 34.03 H new ATOM 0 HG21 VAL A 67 -25.450 11.422 -15.564 1.00 73.25 H new ATOM 0 HG22 VAL A 67 -25.282 11.695 -17.314 1.00 73.25 H new ATOM 0 HG23 VAL A 67 -26.892 11.737 -16.558 1.00 73.25 H new ATOM 1114 N THR A 68 -28.239 7.647 -17.866 1.00 40.41 N ATOM 1115 CA THR A 68 -28.667 6.256 -17.936 1.00 53.24 C ATOM 1116 C THR A 68 -29.315 5.948 -19.281 1.00 61.45 C ATOM 1117 O THR A 68 -29.259 4.816 -19.763 1.00 22.11 O ATOM 1118 CB THR A 68 -29.662 5.917 -16.811 1.00 13.14 C ATOM 1119 OG1 THR A 68 -30.025 4.533 -16.877 1.00 41.55 O ATOM 1120 CG2 THR A 68 -30.911 6.779 -16.914 1.00 52.43 C ATOM 0 H THR A 68 -28.932 8.282 -17.469 1.00 40.41 H new ATOM 0 HA THR A 68 -27.773 5.644 -17.817 1.00 53.24 H new ATOM 0 HB THR A 68 -29.178 6.120 -15.856 1.00 13.14 H new ATOM 0 HG1 THR A 68 -30.657 4.326 -16.157 1.00 41.55 H new ATOM 0 HG21 THR A 68 -31.599 6.521 -16.109 1.00 52.43 H new ATOM 0 HG22 THR A 68 -30.635 7.830 -16.833 1.00 52.43 H new ATOM 0 HG23 THR A 68 -31.396 6.604 -17.875 1.00 52.43 H new ATOM 1128 N ARG A 69 -29.929 6.961 -19.884 1.00 23.22 N ATOM 1129 CA ARG A 69 -30.588 6.797 -21.174 1.00 24.20 C ATOM 1130 C ARG A 69 -29.619 6.238 -22.212 1.00 42.00 C ATOM 1131 O ARG A 69 -29.984 5.387 -23.024 1.00 22.11 O ATOM 1132 CB ARG A 69 -31.152 8.134 -21.656 1.00 14.32 C ATOM 1133 CG ARG A 69 -32.643 8.292 -21.404 1.00 72.15 C ATOM 1134 CD ARG A 69 -33.462 7.427 -22.350 1.00 40.44 C ATOM 1135 NE ARG A 69 -34.550 8.177 -22.973 1.00 60.42 N ATOM 1136 CZ ARG A 69 -35.475 7.622 -23.749 1.00 22.55 C ATOM 1137 NH1 ARG A 69 -35.444 6.319 -23.995 1.00 2.15 N ATOM 1138 NH2 ARG A 69 -36.434 8.370 -24.279 1.00 64.32 N ATOM 0 H ARG A 69 -29.984 7.904 -19.500 1.00 23.22 H new ATOM 0 HA ARG A 69 -31.407 6.089 -21.048 1.00 24.20 H new ATOM 0 HB2 ARG A 69 -30.620 8.944 -21.157 1.00 14.32 H new ATOM 0 HB3 ARG A 69 -30.960 8.236 -22.724 1.00 14.32 H new ATOM 0 HG2 ARG A 69 -32.870 8.021 -20.373 1.00 72.15 H new ATOM 0 HG3 ARG A 69 -32.926 9.337 -21.528 1.00 72.15 H new ATOM 0 HD2 ARG A 69 -32.812 7.021 -23.125 1.00 40.44 H new ATOM 0 HD3 ARG A 69 -33.873 6.579 -21.802 1.00 40.44 H new ATOM 0 HE ARG A 69 -34.602 9.181 -22.803 1.00 60.42 H new ATOM 0 HH11 ARG A 69 -34.709 5.741 -23.588 1.00 2.15 H new ATOM 0 HH12 ARG A 69 -36.155 5.895 -24.591 1.00 2.15 H new ATOM 0 HH21 ARG A 69 -36.462 9.372 -24.091 1.00 64.32 H new ATOM 0 HH22 ARG A 69 -37.143 7.943 -24.875 1.00 64.32 H new ATOM 1152 N THR A 70 -28.381 6.723 -22.181 1.00 33.13 N ATOM 1153 CA THR A 70 -27.360 6.274 -23.119 1.00 35.00 C ATOM 1154 C THR A 70 -26.402 5.289 -22.459 1.00 75.33 C ATOM 1155 O THR A 70 -25.403 4.889 -23.055 1.00 24.21 O ATOM 1156 CB THR A 70 -26.553 7.460 -23.681 1.00 33.53 C ATOM 1157 OG1 THR A 70 -26.339 8.436 -22.655 1.00 72.05 O ATOM 1158 CG2 THR A 70 -27.278 8.100 -24.855 1.00 13.13 C ATOM 0 H THR A 70 -28.062 7.427 -21.516 1.00 33.13 H new ATOM 0 HA THR A 70 -27.880 5.777 -23.938 1.00 35.00 H new ATOM 0 HB THR A 70 -25.591 7.084 -24.031 1.00 33.53 H new ATOM 0 HG1 THR A 70 -25.824 9.186 -23.019 1.00 72.05 H new ATOM 0 HG21 THR A 70 -26.689 8.935 -25.235 1.00 13.13 H new ATOM 0 HG22 THR A 70 -27.413 7.362 -25.645 1.00 13.13 H new ATOM 0 HG23 THR A 70 -28.252 8.463 -24.527 1.00 13.13 H new ATOM 1166 N GLN A 71 -26.715 4.901 -21.227 1.00 53.20 N ATOM 1167 CA GLN A 71 -25.881 3.962 -20.487 1.00 63.01 C ATOM 1168 C GLN A 71 -24.443 4.462 -20.401 1.00 44.43 C ATOM 1169 O GLN A 71 -23.501 3.725 -20.693 1.00 53.43 O ATOM 1170 CB GLN A 71 -25.915 2.584 -21.151 1.00 11.22 C ATOM 1171 CG GLN A 71 -25.612 1.441 -20.196 1.00 15.15 C ATOM 1172 CD GLN A 71 -24.823 0.326 -20.852 1.00 21.33 C ATOM 1173 OE1 GLN A 71 -23.634 0.150 -20.583 1.00 70.03 O ATOM 1174 NE2 GLN A 71 -25.481 -0.436 -21.718 1.00 12.22 N ATOM 0 H GLN A 71 -27.540 5.222 -20.720 1.00 53.20 H new ATOM 0 HA GLN A 71 -26.279 3.880 -19.476 1.00 63.01 H new ATOM 0 HB2 GLN A 71 -26.899 2.427 -21.592 1.00 11.22 H new ATOM 0 HB3 GLN A 71 -25.193 2.565 -21.967 1.00 11.22 H new ATOM 0 HG2 GLN A 71 -25.052 1.824 -19.343 1.00 15.15 H new ATOM 0 HG3 GLN A 71 -26.548 1.039 -19.808 1.00 15.15 H new ATOM 0 HE21 GLN A 71 -26.466 -0.255 -21.911 1.00 12.22 H new ATOM 0 HE22 GLN A 71 -25.001 -1.203 -22.190 1.00 12.22 H new ATOM 1183 N GLN A 72 -24.282 5.719 -19.999 1.00 65.03 N ATOM 1184 CA GLN A 72 -22.958 6.317 -19.876 1.00 45.44 C ATOM 1185 C GLN A 72 -22.545 6.431 -18.413 1.00 14.35 C ATOM 1186 O GLN A 72 -21.478 6.958 -18.097 1.00 54.34 O ATOM 1187 CB GLN A 72 -22.936 7.699 -20.534 1.00 30.44 C ATOM 1188 CG GLN A 72 -23.352 7.683 -21.996 1.00 0.23 C ATOM 1189 CD GLN A 72 -22.213 7.308 -22.923 1.00 4.13 C ATOM 1190 OE1 GLN A 72 -22.084 6.154 -23.331 1.00 62.32 O ATOM 1191 NE2 GLN A 72 -21.378 8.284 -23.260 1.00 40.23 N ATOM 0 H GLN A 72 -25.051 6.342 -19.753 1.00 65.03 H new ATOM 0 HA GLN A 72 -22.246 5.668 -20.386 1.00 45.44 H new ATOM 0 HB2 GLN A 72 -23.600 8.365 -19.983 1.00 30.44 H new ATOM 0 HB3 GLN A 72 -21.931 8.114 -20.455 1.00 30.44 H new ATOM 0 HG2 GLN A 72 -24.171 6.976 -22.129 1.00 0.23 H new ATOM 0 HG3 GLN A 72 -23.732 8.667 -22.273 1.00 0.23 H new ATOM 0 HE21 GLN A 72 -21.523 9.227 -22.898 1.00 40.23 H new ATOM 0 HE22 GLN A 72 -20.592 8.091 -23.881 1.00 40.23 H new ATOM 1200 N TRP A 73 -23.397 5.935 -17.523 1.00 74.31 N ATOM 1201 CA TRP A 73 -23.121 5.981 -16.092 1.00 13.43 C ATOM 1202 C TRP A 73 -21.811 5.274 -15.767 1.00 25.33 C ATOM 1203 O TRP A 73 -21.092 5.669 -14.848 1.00 72.25 O ATOM 1204 CB TRP A 73 -24.269 5.341 -15.309 1.00 22.10 C ATOM 1205 CG TRP A 73 -25.285 6.332 -14.827 1.00 71.44 C ATOM 1206 CD1 TRP A 73 -26.607 6.380 -15.166 1.00 33.51 C ATOM 1207 CD2 TRP A 73 -25.061 7.418 -13.922 1.00 31.42 C ATOM 1208 NE1 TRP A 73 -27.219 7.430 -14.525 1.00 42.12 N ATOM 1209 CE2 TRP A 73 -26.292 8.082 -13.755 1.00 71.13 C ATOM 1210 CE3 TRP A 73 -23.941 7.892 -13.234 1.00 13.24 C ATOM 1211 CZ2 TRP A 73 -26.431 9.195 -12.931 1.00 13.04 C ATOM 1212 CZ3 TRP A 73 -24.081 8.997 -12.416 1.00 11.32 C ATOM 1213 CH2 TRP A 73 -25.318 9.638 -12.269 1.00 54.31 C ATOM 0 H TRP A 73 -24.285 5.496 -17.767 1.00 74.31 H new ATOM 0 HA TRP A 73 -23.030 7.027 -15.799 1.00 13.43 H new ATOM 0 HB2 TRP A 73 -24.763 4.603 -15.941 1.00 22.10 H new ATOM 0 HB3 TRP A 73 -23.860 4.805 -14.453 1.00 22.10 H new ATOM 0 HD1 TRP A 73 -27.099 5.694 -15.839 1.00 33.51 H new ATOM 0 HE1 TRP A 73 -28.204 7.683 -14.609 1.00 42.12 H new ATOM 0 HE3 TRP A 73 -22.983 7.404 -13.340 1.00 13.24 H new ATOM 0 HZ2 TRP A 73 -27.383 9.692 -12.818 1.00 13.04 H new ATOM 0 HZ3 TRP A 73 -23.222 9.373 -11.881 1.00 11.32 H new ATOM 0 HH2 TRP A 73 -25.395 10.498 -11.621 1.00 54.31 H new ATOM 1224 N SER A 74 -21.505 4.226 -16.525 1.00 44.14 N ATOM 1225 CA SER A 74 -20.281 3.461 -16.315 1.00 50.21 C ATOM 1226 C SER A 74 -19.050 4.328 -16.561 1.00 64.32 C ATOM 1227 O SER A 74 -18.105 4.321 -15.772 1.00 60.05 O ATOM 1228 CB SER A 74 -20.252 2.241 -17.237 1.00 74.22 C ATOM 1229 OG SER A 74 -18.935 1.968 -17.682 1.00 2.31 O ATOM 0 H SER A 74 -22.088 3.887 -17.290 1.00 44.14 H new ATOM 0 HA SER A 74 -20.266 3.124 -15.278 1.00 50.21 H new ATOM 0 HB2 SER A 74 -20.648 1.373 -16.709 1.00 74.22 H new ATOM 0 HB3 SER A 74 -20.900 2.415 -18.096 1.00 74.22 H new ATOM 0 HG SER A 74 -18.944 1.183 -18.268 1.00 2.31 H new ATOM 1235 N MET A 75 -19.068 5.073 -17.662 1.00 35.34 N ATOM 1236 CA MET A 75 -17.954 5.946 -18.012 1.00 33.11 C ATOM 1237 C MET A 75 -17.910 7.165 -17.095 1.00 64.55 C ATOM 1238 O MET A 75 -16.844 7.558 -16.621 1.00 30.13 O ATOM 1239 CB MET A 75 -18.069 6.394 -19.470 1.00 64.03 C ATOM 1240 CG MET A 75 -17.271 5.532 -20.435 1.00 71.32 C ATOM 1241 SD MET A 75 -16.056 6.479 -21.372 1.00 10.12 S ATOM 1242 CE MET A 75 -15.470 5.236 -22.520 1.00 43.13 C ATOM 0 H MET A 75 -19.842 5.089 -18.327 1.00 35.34 H new ATOM 0 HA MET A 75 -17.029 5.384 -17.884 1.00 33.11 H new ATOM 0 HB2 MET A 75 -19.118 6.379 -19.765 1.00 64.03 H new ATOM 0 HB3 MET A 75 -17.730 7.427 -19.552 1.00 64.03 H new ATOM 0 HG2 MET A 75 -16.762 4.746 -19.878 1.00 71.32 H new ATOM 0 HG3 MET A 75 -17.955 5.040 -21.127 1.00 71.32 H new ATOM 0 HE1 MET A 75 -14.711 5.670 -23.170 1.00 43.13 H new ATOM 0 HE2 MET A 75 -15.039 4.403 -21.965 1.00 43.13 H new ATOM 0 HE3 MET A 75 -16.303 4.877 -23.124 1.00 43.13 H new ATOM 1252 N VAL A 76 -19.073 7.759 -16.851 1.00 34.42 N ATOM 1253 CA VAL A 76 -19.167 8.932 -15.991 1.00 2.04 C ATOM 1254 C VAL A 76 -18.735 8.605 -14.566 1.00 23.43 C ATOM 1255 O VAL A 76 -17.885 9.286 -13.992 1.00 33.51 O ATOM 1256 CB VAL A 76 -20.600 9.496 -15.964 1.00 21.20 C ATOM 1257 CG1 VAL A 76 -20.659 10.765 -15.128 1.00 32.14 C ATOM 1258 CG2 VAL A 76 -21.096 9.756 -17.378 1.00 61.13 C ATOM 0 H VAL A 76 -19.964 7.447 -17.237 1.00 34.42 H new ATOM 0 HA VAL A 76 -18.497 9.684 -16.408 1.00 2.04 H new ATOM 0 HB VAL A 76 -21.255 8.756 -15.504 1.00 21.20 H new ATOM 0 HG11 VAL A 76 -21.679 11.149 -15.121 1.00 32.14 H new ATOM 0 HG12 VAL A 76 -20.347 10.543 -14.107 1.00 32.14 H new ATOM 0 HG13 VAL A 76 -19.993 11.514 -15.556 1.00 32.14 H new ATOM 0 HG21 VAL A 76 -22.110 10.154 -17.340 1.00 61.13 H new ATOM 0 HG22 VAL A 76 -20.441 10.477 -17.867 1.00 61.13 H new ATOM 0 HG23 VAL A 76 -21.093 8.823 -17.942 1.00 61.13 H new ATOM 1268 N ALA A 77 -19.325 7.557 -14.000 1.00 71.11 N ATOM 1269 CA ALA A 77 -18.999 7.137 -12.643 1.00 15.12 C ATOM 1270 C ALA A 77 -17.503 6.888 -12.489 1.00 41.04 C ATOM 1271 O ALA A 77 -16.916 7.200 -11.454 1.00 12.33 O ATOM 1272 CB ALA A 77 -19.785 5.887 -12.274 1.00 50.31 C ATOM 0 H ALA A 77 -20.031 6.983 -14.461 1.00 71.11 H new ATOM 0 HA ALA A 77 -19.278 7.942 -11.964 1.00 15.12 H new ATOM 0 HB1 ALA A 77 -19.532 5.585 -11.258 1.00 50.31 H new ATOM 0 HB2 ALA A 77 -20.853 6.098 -12.334 1.00 50.31 H new ATOM 0 HB3 ALA A 77 -19.534 5.082 -12.965 1.00 50.31 H new ATOM 1278 N GLN A 78 -16.892 6.324 -13.526 1.00 73.42 N ATOM 1279 CA GLN A 78 -15.464 6.032 -13.505 1.00 21.33 C ATOM 1280 C GLN A 78 -14.647 7.316 -13.412 1.00 10.33 C ATOM 1281 O GLN A 78 -13.571 7.337 -12.814 1.00 41.20 O ATOM 1282 CB GLN A 78 -15.063 5.248 -14.756 1.00 31.14 C ATOM 1283 CG GLN A 78 -13.591 4.871 -14.792 1.00 21.13 C ATOM 1284 CD GLN A 78 -13.336 3.586 -15.555 1.00 41.22 C ATOM 1285 OE1 GLN A 78 -14.266 2.951 -16.052 1.00 73.21 O ATOM 1286 NE2 GLN A 78 -12.070 3.197 -15.653 1.00 33.52 N ATOM 0 H GLN A 78 -17.364 6.060 -14.391 1.00 73.42 H new ATOM 0 HA GLN A 78 -15.256 5.426 -12.623 1.00 21.33 H new ATOM 0 HB2 GLN A 78 -15.663 4.340 -14.814 1.00 31.14 H new ATOM 0 HB3 GLN A 78 -15.299 5.843 -15.638 1.00 31.14 H new ATOM 0 HG2 GLN A 78 -13.024 5.680 -15.251 1.00 21.13 H new ATOM 0 HG3 GLN A 78 -13.223 4.763 -13.772 1.00 21.13 H new ATOM 0 HE21 GLN A 78 -11.331 3.755 -15.225 1.00 33.52 H new ATOM 0 HE22 GLN A 78 -11.837 2.341 -16.156 1.00 33.52 H new ATOM 1295 N ARG A 79 -15.165 8.386 -14.007 1.00 33.41 N ATOM 1296 CA ARG A 79 -14.483 9.674 -13.992 1.00 70.14 C ATOM 1297 C ARG A 79 -14.239 10.144 -12.561 1.00 62.33 C ATOM 1298 O ARG A 79 -13.159 10.638 -12.234 1.00 62.34 O ATOM 1299 CB ARG A 79 -15.304 10.719 -14.750 1.00 73.54 C ATOM 1300 CG ARG A 79 -14.459 11.681 -15.569 1.00 12.25 C ATOM 1301 CD ARG A 79 -14.528 11.360 -17.053 1.00 74.32 C ATOM 1302 NE ARG A 79 -15.564 12.133 -17.733 1.00 32.10 N ATOM 1303 CZ ARG A 79 -15.707 12.169 -19.053 1.00 72.21 C ATOM 1304 NH1 ARG A 79 -14.885 11.478 -19.831 1.00 52.43 N ATOM 1305 NH2 ARG A 79 -16.675 12.896 -19.597 1.00 65.14 N ATOM 0 H ARG A 79 -16.055 8.386 -14.505 1.00 33.41 H new ATOM 0 HA ARG A 79 -13.519 9.551 -14.485 1.00 70.14 H new ATOM 0 HB2 ARG A 79 -16.003 10.209 -15.412 1.00 73.54 H new ATOM 0 HB3 ARG A 79 -15.899 11.289 -14.036 1.00 73.54 H new ATOM 0 HG2 ARG A 79 -14.802 12.702 -15.400 1.00 12.25 H new ATOM 0 HG3 ARG A 79 -13.423 11.633 -15.233 1.00 12.25 H new ATOM 0 HD2 ARG A 79 -13.562 11.565 -17.514 1.00 74.32 H new ATOM 0 HD3 ARG A 79 -14.724 10.296 -17.185 1.00 74.32 H new ATOM 0 HE ARG A 79 -16.213 12.675 -17.163 1.00 32.10 H new ATOM 0 HH11 ARG A 79 -14.141 10.917 -19.416 1.00 52.43 H new ATOM 0 HH12 ARG A 79 -14.997 11.507 -20.844 1.00 52.43 H new ATOM 0 HH21 ARG A 79 -17.310 13.428 -19.001 1.00 65.14 H new ATOM 0 HH22 ARG A 79 -16.784 12.923 -20.611 1.00 65.14 H new ATOM 1319 N LEU A 80 -15.249 9.987 -11.713 1.00 4.25 N ATOM 1320 CA LEU A 80 -15.144 10.396 -10.316 1.00 34.31 C ATOM 1321 C LEU A 80 -14.803 9.206 -9.425 1.00 32.14 C ATOM 1322 O LEU A 80 -14.599 9.359 -8.221 1.00 13.23 O ATOM 1323 CB LEU A 80 -16.454 11.036 -9.852 1.00 71.12 C ATOM 1324 CG LEU A 80 -17.737 10.316 -10.268 1.00 33.42 C ATOM 1325 CD1 LEU A 80 -18.805 10.466 -9.195 1.00 70.04 C ATOM 1326 CD2 LEU A 80 -18.240 10.848 -11.602 1.00 2.22 C ATOM 0 H LEU A 80 -16.149 9.580 -11.967 1.00 4.25 H new ATOM 0 HA LEU A 80 -14.341 11.128 -10.236 1.00 34.31 H new ATOM 0 HB2 LEU A 80 -16.436 11.105 -8.764 1.00 71.12 H new ATOM 0 HB3 LEU A 80 -16.493 12.056 -10.235 1.00 71.12 H new ATOM 0 HG LEU A 80 -17.514 9.255 -10.384 1.00 33.42 H new ATOM 0 HD11 LEU A 80 -19.711 9.947 -9.508 1.00 70.04 H new ATOM 0 HD12 LEU A 80 -18.445 10.035 -8.261 1.00 70.04 H new ATOM 0 HD13 LEU A 80 -19.025 11.523 -9.046 1.00 70.04 H new ATOM 0 HD21 LEU A 80 -19.154 10.324 -11.882 1.00 2.22 H new ATOM 0 HD22 LEU A 80 -18.446 11.915 -11.514 1.00 2.22 H new ATOM 0 HD23 LEU A 80 -17.481 10.687 -12.367 1.00 2.22 H new ATOM 1338 N GLN A 81 -14.741 8.022 -10.025 1.00 72.21 N ATOM 1339 CA GLN A 81 -14.423 6.806 -9.285 1.00 41.41 C ATOM 1340 C GLN A 81 -15.492 6.510 -8.239 1.00 54.01 C ATOM 1341 O GLN A 81 -15.182 6.252 -7.076 1.00 23.31 O ATOM 1342 CB GLN A 81 -13.056 6.938 -8.611 1.00 60.42 C ATOM 1343 CG GLN A 81 -12.527 5.628 -8.049 1.00 2.22 C ATOM 1344 CD GLN A 81 -11.517 4.965 -8.965 1.00 54.00 C ATOM 1345 OE1 GLN A 81 -11.383 5.336 -10.131 1.00 45.33 O ATOM 1346 NE2 GLN A 81 -10.801 3.977 -8.441 1.00 0.41 N ATOM 0 H GLN A 81 -14.907 7.878 -11.021 1.00 72.21 H new ATOM 0 HA GLN A 81 -14.394 5.977 -9.992 1.00 41.41 H new ATOM 0 HB2 GLN A 81 -12.340 7.330 -9.334 1.00 60.42 H new ATOM 0 HB3 GLN A 81 -13.126 7.668 -7.805 1.00 60.42 H new ATOM 0 HG2 GLN A 81 -12.065 5.813 -7.079 1.00 2.22 H new ATOM 0 HG3 GLN A 81 -13.361 4.947 -7.880 1.00 2.22 H new ATOM 0 HE21 GLN A 81 -10.945 3.702 -7.469 1.00 0.41 H new ATOM 0 HE22 GLN A 81 -10.107 3.493 -9.010 1.00 0.41 H new ATOM 1355 N ILE A 82 -16.752 6.550 -8.660 1.00 61.54 N ATOM 1356 CA ILE A 82 -17.867 6.284 -7.760 1.00 2.44 C ATOM 1357 C ILE A 82 -18.407 4.872 -7.954 1.00 70.24 C ATOM 1358 O ILE A 82 -18.893 4.247 -7.012 1.00 70.40 O ATOM 1359 CB ILE A 82 -19.012 7.293 -7.969 1.00 3.11 C ATOM 1360 CG1 ILE A 82 -20.139 7.034 -6.967 1.00 62.52 C ATOM 1361 CG2 ILE A 82 -19.535 7.213 -9.395 1.00 65.53 C ATOM 1362 CD1 ILE A 82 -20.833 8.293 -6.498 1.00 45.33 C ATOM 0 H ILE A 82 -17.026 6.764 -9.619 1.00 61.54 H new ATOM 0 HA ILE A 82 -17.484 6.386 -6.745 1.00 2.44 H new ATOM 0 HB ILE A 82 -18.626 8.298 -7.800 1.00 3.11 H new ATOM 0 HG12 ILE A 82 -20.875 6.372 -7.424 1.00 62.52 H new ATOM 0 HG13 ILE A 82 -19.732 6.510 -6.102 1.00 62.52 H new ATOM 0 HG21 ILE A 82 -20.344 7.932 -9.527 1.00 65.53 H new ATOM 0 HG22 ILE A 82 -18.729 7.442 -10.092 1.00 65.53 H new ATOM 0 HG23 ILE A 82 -19.908 6.208 -9.590 1.00 65.53 H new ATOM 0 HD11 ILE A 82 -21.620 8.033 -5.790 1.00 45.33 H new ATOM 0 HD12 ILE A 82 -20.110 8.948 -6.012 1.00 45.33 H new ATOM 0 HD13 ILE A 82 -21.270 8.808 -7.354 1.00 45.33 H new ATOM 1374 N SER A 83 -18.317 4.374 -9.184 1.00 22.15 N ATOM 1375 CA SER A 83 -18.798 3.035 -9.503 1.00 53.01 C ATOM 1376 C SER A 83 -17.734 2.240 -10.253 1.00 72.24 C ATOM 1377 O SER A 83 -17.802 2.087 -11.473 1.00 54.21 O ATOM 1378 CB SER A 83 -20.076 3.116 -10.341 1.00 1.01 C ATOM 1379 OG SER A 83 -20.967 4.086 -9.819 1.00 52.32 O ATOM 0 H SER A 83 -17.916 4.878 -9.975 1.00 22.15 H new ATOM 0 HA SER A 83 -19.017 2.522 -8.567 1.00 53.01 H new ATOM 0 HB2 SER A 83 -19.824 3.366 -11.371 1.00 1.01 H new ATOM 0 HB3 SER A 83 -20.564 2.142 -10.360 1.00 1.01 H new ATOM 0 HG SER A 83 -21.775 4.120 -10.373 1.00 52.32 H new ATOM 1385 N ASP A 84 -16.752 1.735 -9.515 1.00 43.41 N ATOM 1386 CA ASP A 84 -15.673 0.955 -10.109 1.00 23.52 C ATOM 1387 C ASP A 84 -15.979 -0.538 -10.038 1.00 33.24 C ATOM 1388 O ASP A 84 -15.217 -1.312 -9.457 1.00 14.31 O ATOM 1389 CB ASP A 84 -14.350 1.251 -9.400 1.00 33.44 C ATOM 1390 CG ASP A 84 -13.638 2.455 -9.983 1.00 24.13 C ATOM 1391 OD1 ASP A 84 -14.220 3.559 -9.958 1.00 14.34 O ATOM 1392 OD2 ASP A 84 -12.497 2.293 -10.463 1.00 44.34 O ATOM 0 H ASP A 84 -16.681 1.852 -8.504 1.00 43.41 H new ATOM 0 HA ASP A 84 -15.586 1.241 -11.157 1.00 23.52 H new ATOM 0 HB2 ASP A 84 -14.539 1.422 -8.340 1.00 33.44 H new ATOM 0 HB3 ASP A 84 -13.700 0.379 -9.471 1.00 33.44 H new ATOM 1397 N TYR A 85 -17.099 -0.936 -10.631 1.00 14.43 N ATOM 1398 CA TYR A 85 -17.509 -2.335 -10.632 1.00 23.04 C ATOM 1399 C TYR A 85 -17.908 -2.787 -9.230 1.00 51.31 C ATOM 1400 O TYR A 85 -18.563 -2.051 -8.493 1.00 12.31 O ATOM 1401 CB TYR A 85 -16.378 -3.219 -11.161 1.00 51.44 C ATOM 1402 CG TYR A 85 -15.675 -2.642 -12.370 1.00 21.53 C ATOM 1403 CD1 TYR A 85 -16.381 -2.330 -13.525 1.00 63.11 C ATOM 1404 CD2 TYR A 85 -14.305 -2.411 -12.356 1.00 70.44 C ATOM 1405 CE1 TYR A 85 -15.743 -1.804 -14.632 1.00 25.22 C ATOM 1406 CE2 TYR A 85 -13.659 -1.884 -13.458 1.00 22.53 C ATOM 1407 CZ TYR A 85 -14.382 -1.583 -14.593 1.00 43.20 C ATOM 1408 OH TYR A 85 -13.741 -1.059 -15.693 1.00 34.13 O ATOM 0 H TYR A 85 -17.740 -0.309 -11.118 1.00 14.43 H new ATOM 0 HA TYR A 85 -18.375 -2.433 -11.286 1.00 23.04 H new ATOM 0 HB2 TYR A 85 -15.648 -3.375 -10.367 1.00 51.44 H new ATOM 0 HB3 TYR A 85 -16.783 -4.198 -11.419 1.00 51.44 H new ATOM 0 HD1 TYR A 85 -17.447 -2.502 -13.558 1.00 63.11 H new ATOM 0 HD2 TYR A 85 -13.736 -2.647 -11.469 1.00 70.44 H new ATOM 0 HE1 TYR A 85 -16.307 -1.567 -15.522 1.00 25.22 H new ATOM 0 HE2 TYR A 85 -12.594 -1.709 -13.431 1.00 22.53 H new ATOM 0 HH TYR A 85 -12.785 -0.965 -15.500 1.00 34.13 H new ATOM 1418 N GLN A 86 -17.507 -4.002 -8.871 1.00 13.15 N ATOM 1419 CA GLN A 86 -17.823 -4.553 -7.558 1.00 0.52 C ATOM 1420 C GLN A 86 -17.432 -3.579 -6.451 1.00 25.32 C ATOM 1421 O GLN A 86 -18.091 -3.507 -5.414 1.00 52.44 O ATOM 1422 CB GLN A 86 -17.106 -5.888 -7.356 1.00 23.41 C ATOM 1423 CG GLN A 86 -15.594 -5.791 -7.477 1.00 25.51 C ATOM 1424 CD GLN A 86 -14.934 -7.145 -7.657 1.00 15.22 C ATOM 1425 OE1 GLN A 86 -14.523 -7.506 -8.760 1.00 31.23 O ATOM 1426 NE2 GLN A 86 -14.830 -7.902 -6.571 1.00 13.22 N ATOM 0 H GLN A 86 -16.963 -4.623 -9.470 1.00 13.15 H new ATOM 0 HA GLN A 86 -18.900 -4.716 -7.510 1.00 0.52 H new ATOM 0 HB2 GLN A 86 -17.359 -6.281 -6.371 1.00 23.41 H new ATOM 0 HB3 GLN A 86 -17.476 -6.604 -8.090 1.00 23.41 H new ATOM 0 HG2 GLN A 86 -15.341 -5.153 -8.324 1.00 25.51 H new ATOM 0 HG3 GLN A 86 -15.192 -5.311 -6.585 1.00 25.51 H new ATOM 0 HE21 GLN A 86 -15.185 -7.563 -5.677 1.00 13.22 H new ATOM 0 HE22 GLN A 86 -14.396 -8.823 -6.631 1.00 13.22 H new ATOM 1435 N GLN A 87 -16.355 -2.834 -6.678 1.00 64.21 N ATOM 1436 CA GLN A 87 -15.875 -1.866 -5.699 1.00 34.23 C ATOM 1437 C GLN A 87 -16.964 -0.855 -5.354 1.00 73.44 C ATOM 1438 O GLN A 87 -16.958 -0.263 -4.274 1.00 64.43 O ATOM 1439 CB GLN A 87 -14.639 -1.140 -6.231 1.00 23.12 C ATOM 1440 CG GLN A 87 -13.513 -1.032 -5.215 1.00 43.04 C ATOM 1441 CD GLN A 87 -12.142 -1.026 -5.863 1.00 22.55 C ATOM 1442 OE1 GLN A 87 -11.833 -0.161 -6.683 1.00 32.52 O ATOM 1443 NE2 GLN A 87 -11.310 -1.995 -5.496 1.00 50.41 N ATOM 0 H GLN A 87 -15.798 -2.882 -7.531 1.00 64.21 H new ATOM 0 HA GLN A 87 -15.607 -2.408 -4.792 1.00 34.23 H new ATOM 0 HB2 GLN A 87 -14.272 -1.664 -7.114 1.00 23.12 H new ATOM 0 HB3 GLN A 87 -14.926 -0.138 -6.551 1.00 23.12 H new ATOM 0 HG2 GLN A 87 -13.640 -0.119 -4.633 1.00 43.04 H new ATOM 0 HG3 GLN A 87 -13.577 -1.867 -4.517 1.00 43.04 H new ATOM 0 HE21 GLN A 87 -11.608 -2.691 -4.813 1.00 50.41 H new ATOM 0 HE22 GLN A 87 -10.374 -2.042 -5.897 1.00 50.41 H new ATOM 1452 N LEU A 88 -17.898 -0.662 -6.279 1.00 14.11 N ATOM 1453 CA LEU A 88 -18.995 0.278 -6.074 1.00 1.23 C ATOM 1454 C LEU A 88 -19.725 -0.014 -4.767 1.00 10.33 C ATOM 1455 O LEU A 88 -20.300 0.884 -4.153 1.00 15.12 O ATOM 1456 CB LEU A 88 -19.976 0.211 -7.245 1.00 52.42 C ATOM 1457 CG LEU A 88 -21.313 0.925 -7.043 1.00 10.44 C ATOM 1458 CD1 LEU A 88 -21.089 2.386 -6.684 1.00 50.22 C ATOM 1459 CD2 LEU A 88 -22.176 0.807 -8.291 1.00 24.34 C ATOM 0 H LEU A 88 -17.918 -1.144 -7.178 1.00 14.11 H new ATOM 0 HA LEU A 88 -18.574 1.282 -6.018 1.00 1.23 H new ATOM 0 HB2 LEU A 88 -19.490 0.634 -8.124 1.00 52.42 H new ATOM 0 HB3 LEU A 88 -20.177 -0.838 -7.465 1.00 52.42 H new ATOM 0 HG LEU A 88 -21.837 0.445 -6.217 1.00 10.44 H new ATOM 0 HD11 LEU A 88 -22.052 2.878 -6.544 1.00 50.22 H new ATOM 0 HD12 LEU A 88 -20.511 2.450 -5.762 1.00 50.22 H new ATOM 0 HD13 LEU A 88 -20.543 2.879 -7.489 1.00 50.22 H new ATOM 0 HD21 LEU A 88 -23.123 1.321 -8.128 1.00 24.34 H new ATOM 0 HD22 LEU A 88 -21.658 1.260 -9.136 1.00 24.34 H new ATOM 0 HD23 LEU A 88 -22.366 -0.245 -8.504 1.00 24.34 H new ATOM 1471 N GLU A 89 -19.695 -1.275 -4.347 1.00 1.33 N ATOM 1472 CA GLU A 89 -20.353 -1.684 -3.111 1.00 51.45 C ATOM 1473 C GLU A 89 -19.645 -1.092 -1.896 1.00 52.21 C ATOM 1474 O GLU A 89 -20.288 -0.616 -0.960 1.00 72.52 O ATOM 1475 CB GLU A 89 -20.384 -3.210 -3.005 1.00 5.33 C ATOM 1476 CG GLU A 89 -21.765 -3.807 -3.214 1.00 21.14 C ATOM 1477 CD GLU A 89 -21.714 -5.273 -3.599 1.00 55.34 C ATOM 1478 OE1 GLU A 89 -21.519 -5.563 -4.798 1.00 73.43 O ATOM 1479 OE2 GLU A 89 -21.870 -6.128 -2.704 1.00 34.44 O ATOM 0 H GLU A 89 -19.223 -2.030 -4.844 1.00 1.33 H new ATOM 0 HA GLU A 89 -21.376 -1.308 -3.132 1.00 51.45 H new ATOM 0 HB2 GLU A 89 -19.700 -3.631 -3.742 1.00 5.33 H new ATOM 0 HB3 GLU A 89 -20.015 -3.505 -2.023 1.00 5.33 H new ATOM 0 HG2 GLU A 89 -22.347 -3.695 -2.299 1.00 21.14 H new ATOM 0 HG3 GLU A 89 -22.284 -3.248 -3.993 1.00 21.14 H new ATOM 1486 N SER A 90 -18.317 -1.125 -1.918 1.00 24.51 N ATOM 1487 CA SER A 90 -17.520 -0.597 -0.817 1.00 13.14 C ATOM 1488 C SER A 90 -17.617 0.925 -0.758 1.00 21.42 C ATOM 1489 O SER A 90 -17.762 1.507 0.317 1.00 33.15 O ATOM 1490 CB SER A 90 -16.058 -1.021 -0.967 1.00 51.01 C ATOM 1491 OG SER A 90 -15.814 -1.562 -2.254 1.00 21.01 O ATOM 0 H SER A 90 -17.770 -1.512 -2.687 1.00 24.51 H new ATOM 0 HA SER A 90 -17.915 -1.006 0.113 1.00 13.14 H new ATOM 0 HB2 SER A 90 -15.408 -0.162 -0.801 1.00 51.01 H new ATOM 0 HB3 SER A 90 -15.810 -1.760 -0.205 1.00 51.01 H new ATOM 0 HG SER A 90 -15.972 -0.874 -2.933 1.00 21.01 H new ATOM 1497 N ILE A 91 -17.535 1.562 -1.921 1.00 22.31 N ATOM 1498 CA ILE A 91 -17.614 3.015 -2.003 1.00 21.24 C ATOM 1499 C ILE A 91 -18.995 3.514 -1.592 1.00 1.22 C ATOM 1500 O ILE A 91 -19.120 4.512 -0.881 1.00 62.13 O ATOM 1501 CB ILE A 91 -17.301 3.517 -3.425 1.00 21.44 C ATOM 1502 CG1 ILE A 91 -15.976 2.930 -3.916 1.00 71.30 C ATOM 1503 CG2 ILE A 91 -17.255 5.037 -3.452 1.00 14.12 C ATOM 1504 CD1 ILE A 91 -15.658 3.276 -5.354 1.00 32.21 C ATOM 0 H ILE A 91 -17.414 1.095 -2.820 1.00 22.31 H new ATOM 0 HA ILE A 91 -16.867 3.411 -1.315 1.00 21.24 H new ATOM 0 HB ILE A 91 -18.095 3.185 -4.095 1.00 21.44 H new ATOM 0 HG12 ILE A 91 -15.169 3.290 -3.277 1.00 71.30 H new ATOM 0 HG13 ILE A 91 -16.007 1.846 -3.810 1.00 71.30 H new ATOM 0 HG21 ILE A 91 -17.033 5.376 -4.464 1.00 14.12 H new ATOM 0 HG22 ILE A 91 -18.220 5.436 -3.139 1.00 14.12 H new ATOM 0 HG23 ILE A 91 -16.479 5.390 -2.772 1.00 14.12 H new ATOM 0 HD11 ILE A 91 -14.705 2.827 -5.634 1.00 32.21 H new ATOM 0 HD12 ILE A 91 -16.445 2.892 -6.003 1.00 32.21 H new ATOM 0 HD13 ILE A 91 -15.595 4.359 -5.462 1.00 32.21 H new ATOM 1516 N TYR A 92 -20.029 2.813 -2.042 1.00 53.01 N ATOM 1517 CA TYR A 92 -21.402 3.185 -1.722 1.00 53.11 C ATOM 1518 C TYR A 92 -21.690 2.982 -0.238 1.00 2.24 C ATOM 1519 O TYR A 92 -22.379 3.787 0.389 1.00 0.41 O ATOM 1520 CB TYR A 92 -22.384 2.364 -2.560 1.00 1.10 C ATOM 1521 CG TYR A 92 -23.777 2.950 -2.608 1.00 2.30 C ATOM 1522 CD1 TYR A 92 -23.983 4.272 -2.983 1.00 12.24 C ATOM 1523 CD2 TYR A 92 -24.887 2.182 -2.280 1.00 22.44 C ATOM 1524 CE1 TYR A 92 -25.254 4.812 -3.027 1.00 60.10 C ATOM 1525 CE2 TYR A 92 -26.161 2.713 -2.323 1.00 35.43 C ATOM 1526 CZ TYR A 92 -26.340 4.028 -2.696 1.00 42.25 C ATOM 1527 OH TYR A 92 -27.607 4.562 -2.741 1.00 35.21 O ATOM 0 H TYR A 92 -19.943 1.984 -2.630 1.00 53.01 H new ATOM 0 HA TYR A 92 -21.529 4.242 -1.957 1.00 53.11 H new ATOM 0 HB2 TYR A 92 -21.999 2.280 -3.576 1.00 1.10 H new ATOM 0 HB3 TYR A 92 -22.438 1.354 -2.155 1.00 1.10 H new ATOM 0 HD1 TYR A 92 -23.135 4.888 -3.245 1.00 12.24 H new ATOM 0 HD2 TYR A 92 -24.751 1.152 -1.986 1.00 22.44 H new ATOM 0 HE1 TYR A 92 -25.397 5.842 -3.319 1.00 60.10 H new ATOM 0 HE2 TYR A 92 -27.013 2.101 -2.066 1.00 35.43 H new ATOM 0 HH TYR A 92 -28.268 3.839 -2.718 1.00 35.21 H new ATOM 1537 N PHE A 93 -21.156 1.900 0.319 1.00 2.23 N ATOM 1538 CA PHE A 93 -21.354 1.589 1.730 1.00 12.51 C ATOM 1539 C PHE A 93 -20.690 2.639 2.617 1.00 71.22 C ATOM 1540 O PHE A 93 -21.315 3.183 3.527 1.00 10.30 O ATOM 1541 CB PHE A 93 -20.792 0.203 2.053 1.00 55.32 C ATOM 1542 CG PHE A 93 -21.302 -0.364 3.347 1.00 51.31 C ATOM 1543 CD1 PHE A 93 -22.637 -0.706 3.491 1.00 61.25 C ATOM 1544 CD2 PHE A 93 -20.446 -0.554 4.420 1.00 54.30 C ATOM 1545 CE1 PHE A 93 -23.109 -1.229 4.680 1.00 52.41 C ATOM 1546 CE2 PHE A 93 -20.913 -1.076 5.612 1.00 63.05 C ATOM 1547 CZ PHE A 93 -22.246 -1.413 5.742 1.00 1.31 C ATOM 0 H PHE A 93 -20.583 1.224 -0.185 1.00 2.23 H new ATOM 0 HA PHE A 93 -22.425 1.594 1.930 1.00 12.51 H new ATOM 0 HB2 PHE A 93 -21.044 -0.480 1.242 1.00 55.32 H new ATOM 0 HB3 PHE A 93 -19.704 0.261 2.095 1.00 55.32 H new ATOM 0 HD1 PHE A 93 -23.317 -0.562 2.664 1.00 61.25 H new ATOM 0 HD2 PHE A 93 -19.403 -0.291 4.324 1.00 54.30 H new ATOM 0 HE1 PHE A 93 -24.151 -1.493 4.778 1.00 52.41 H new ATOM 0 HE2 PHE A 93 -20.236 -1.220 6.441 1.00 63.05 H new ATOM 0 HZ PHE A 93 -22.613 -1.820 6.673 1.00 1.31 H new ATOM 1557 N ARG A 94 -19.419 2.917 2.344 1.00 33.41 N ATOM 1558 CA ARG A 94 -18.669 3.899 3.117 1.00 31.24 C ATOM 1559 C ARG A 94 -19.272 5.291 2.959 1.00 50.44 C ATOM 1560 O ARG A 94 -19.333 6.065 3.915 1.00 64.12 O ATOM 1561 CB ARG A 94 -17.203 3.913 2.679 1.00 35.21 C ATOM 1562 CG ARG A 94 -16.327 2.942 3.453 1.00 70.31 C ATOM 1563 CD ARG A 94 -16.406 1.538 2.874 1.00 65.30 C ATOM 1564 NE ARG A 94 -15.598 0.587 3.633 1.00 65.22 N ATOM 1565 CZ ARG A 94 -15.785 -0.728 3.599 1.00 43.11 C ATOM 1566 NH1 ARG A 94 -16.747 -1.245 2.847 1.00 3.22 N ATOM 1567 NH2 ARG A 94 -15.008 -1.529 4.318 1.00 51.53 N ATOM 0 H ARG A 94 -18.888 2.476 1.593 1.00 33.41 H new ATOM 0 HA ARG A 94 -18.724 3.616 4.168 1.00 31.24 H new ATOM 0 HB2 ARG A 94 -17.147 3.672 1.617 1.00 35.21 H new ATOM 0 HB3 ARG A 94 -16.807 4.921 2.798 1.00 35.21 H new ATOM 0 HG2 ARG A 94 -15.293 3.287 3.433 1.00 70.31 H new ATOM 0 HG3 ARG A 94 -16.637 2.924 4.498 1.00 70.31 H new ATOM 0 HD2 ARG A 94 -17.444 1.207 2.867 1.00 65.30 H new ATOM 0 HD3 ARG A 94 -16.069 1.554 1.837 1.00 65.30 H new ATOM 0 HE ARG A 94 -14.849 0.952 4.221 1.00 65.22 H new ATOM 0 HH11 ARG A 94 -17.346 -0.633 2.293 1.00 3.22 H new ATOM 0 HH12 ARG A 94 -16.888 -2.255 2.823 1.00 3.22 H new ATOM 0 HH21 ARG A 94 -14.267 -1.135 4.897 1.00 51.53 H new ATOM 0 HH22 ARG A 94 -15.152 -2.538 4.291 1.00 51.53 H new ATOM 1581 N ILE A 95 -19.716 5.603 1.746 1.00 42.54 N ATOM 1582 CA ILE A 95 -20.314 6.902 1.462 1.00 11.13 C ATOM 1583 C ILE A 95 -21.714 7.004 2.058 1.00 1.25 C ATOM 1584 O ILE A 95 -22.194 8.098 2.359 1.00 75.11 O ATOM 1585 CB ILE A 95 -20.393 7.167 -0.053 1.00 1.13 C ATOM 1586 CG1 ILE A 95 -18.993 7.393 -0.627 1.00 3.45 C ATOM 1587 CG2 ILE A 95 -21.287 8.365 -0.335 1.00 0.30 C ATOM 1588 CD1 ILE A 95 -18.956 7.418 -2.139 1.00 10.14 C ATOM 0 H ILE A 95 -19.673 4.974 0.944 1.00 42.54 H new ATOM 0 HA ILE A 95 -19.670 7.653 1.920 1.00 11.13 H new ATOM 0 HB ILE A 95 -20.827 6.293 -0.538 1.00 1.13 H new ATOM 0 HG12 ILE A 95 -18.601 8.336 -0.247 1.00 3.45 H new ATOM 0 HG13 ILE A 95 -18.331 6.605 -0.269 1.00 3.45 H new ATOM 0 HG21 ILE A 95 -21.333 8.540 -1.410 1.00 0.30 H new ATOM 0 HG22 ILE A 95 -22.290 8.168 0.044 1.00 0.30 H new ATOM 0 HG23 ILE A 95 -20.880 9.247 0.159 1.00 0.30 H new ATOM 0 HD11 ILE A 95 -17.932 7.582 -2.475 1.00 10.14 H new ATOM 0 HD12 ILE A 95 -19.317 6.466 -2.528 1.00 10.14 H new ATOM 0 HD13 ILE A 95 -19.592 8.224 -2.505 1.00 10.14 H new ATOM 1600 N LEU A 96 -22.363 5.858 2.229 1.00 73.00 N ATOM 1601 CA LEU A 96 -23.709 5.817 2.792 1.00 44.23 C ATOM 1602 C LEU A 96 -23.660 5.688 4.311 1.00 63.32 C ATOM 1603 O LEU A 96 -24.678 5.825 4.989 1.00 14.35 O ATOM 1604 CB LEU A 96 -24.497 4.651 2.194 1.00 34.32 C ATOM 1605 CG LEU A 96 -25.956 4.531 2.636 1.00 74.10 C ATOM 1606 CD1 LEU A 96 -26.874 4.429 1.427 1.00 5.41 C ATOM 1607 CD2 LEU A 96 -26.140 3.328 3.550 1.00 61.25 C ATOM 0 H LEU A 96 -21.980 4.945 1.986 1.00 73.00 H new ATOM 0 HA LEU A 96 -24.210 6.752 2.542 1.00 44.23 H new ATOM 0 HB2 LEU A 96 -24.473 4.742 1.108 1.00 34.32 H new ATOM 0 HB3 LEU A 96 -23.984 3.723 2.448 1.00 34.32 H new ATOM 0 HG LEU A 96 -26.221 5.429 3.193 1.00 74.10 H new ATOM 0 HD11 LEU A 96 -27.908 4.344 1.761 1.00 5.41 H new ATOM 0 HD12 LEU A 96 -26.764 5.321 0.810 1.00 5.41 H new ATOM 0 HD13 LEU A 96 -26.609 3.548 0.842 1.00 5.41 H new ATOM 0 HD21 LEU A 96 -27.184 3.259 3.854 1.00 61.25 H new ATOM 0 HD22 LEU A 96 -25.856 2.420 3.018 1.00 61.25 H new ATOM 0 HD23 LEU A 96 -25.512 3.443 4.433 1.00 61.25 H new ATOM 1619 N LEU A 97 -22.469 5.425 4.839 1.00 75.42 N ATOM 1620 CA LEU A 97 -22.287 5.279 6.279 1.00 65.13 C ATOM 1621 C LEU A 97 -23.027 6.377 7.036 1.00 61.05 C ATOM 1622 O LEU A 97 -23.349 7.433 6.490 1.00 64.44 O ATOM 1623 CB LEU A 97 -20.798 5.316 6.630 1.00 52.10 C ATOM 1624 CG LEU A 97 -20.041 3.996 6.483 1.00 44.14 C ATOM 1625 CD1 LEU A 97 -18.548 4.213 6.675 1.00 3.14 C ATOM 1626 CD2 LEU A 97 -20.564 2.967 7.474 1.00 52.11 C ATOM 0 H LEU A 97 -21.616 5.309 4.292 1.00 75.42 H new ATOM 0 HA LEU A 97 -22.701 4.316 6.577 1.00 65.13 H new ATOM 0 HB2 LEU A 97 -20.315 6.061 5.998 1.00 52.10 H new ATOM 0 HB3 LEU A 97 -20.696 5.657 7.660 1.00 52.10 H new ATOM 0 HG LEU A 97 -20.206 3.616 5.475 1.00 44.14 H new ATOM 0 HD11 LEU A 97 -18.025 3.263 6.567 1.00 3.14 H new ATOM 0 HD12 LEU A 97 -18.183 4.915 5.925 1.00 3.14 H new ATOM 0 HD13 LEU A 97 -18.364 4.617 7.671 1.00 3.14 H new ATOM 0 HD21 LEU A 97 -20.013 2.034 7.354 1.00 52.11 H new ATOM 0 HD22 LEU A 97 -20.431 3.339 8.490 1.00 52.11 H new ATOM 0 HD23 LEU A 97 -21.623 2.789 7.289 1.00 52.11 H new ATOM 1638 N PRO A 98 -23.303 6.126 8.324 1.00 64.51 N ATOM 1639 CA PRO A 98 -24.006 7.082 9.184 1.00 25.12 C ATOM 1640 C PRO A 98 -23.156 8.307 9.504 1.00 52.44 C ATOM 1641 O PRO A 98 -23.665 9.427 9.571 1.00 22.31 O ATOM 1642 CB PRO A 98 -24.283 6.277 10.457 1.00 42.25 C ATOM 1643 CG PRO A 98 -23.226 5.227 10.479 1.00 40.44 C ATOM 1644 CD PRO A 98 -22.949 4.888 9.040 1.00 2.50 C ATOM 0 HA PRO A 98 -24.904 7.475 8.708 1.00 25.12 H new ATOM 0 HB2 PRO A 98 -24.232 6.909 11.344 1.00 42.25 H new ATOM 0 HB3 PRO A 98 -25.279 5.835 10.437 1.00 42.25 H new ATOM 0 HG2 PRO A 98 -22.326 5.590 10.975 1.00 40.44 H new ATOM 0 HG3 PRO A 98 -23.561 4.348 11.030 1.00 40.44 H new ATOM 0 HD2 PRO A 98 -21.904 4.618 8.884 1.00 2.50 H new ATOM 0 HD3 PRO A 98 -23.550 4.043 8.703 1.00 2.50 H new ATOM 1652 N TYR A 99 -21.861 8.089 9.699 1.00 64.13 N ATOM 1653 CA TYR A 99 -20.941 9.176 10.013 1.00 70.11 C ATOM 1654 C TYR A 99 -20.746 10.090 8.807 1.00 13.43 C ATOM 1655 O TYR A 99 -20.764 11.314 8.934 1.00 1.23 O ATOM 1656 CB TYR A 99 -19.592 8.616 10.465 1.00 24.43 C ATOM 1657 CG TYR A 99 -19.465 8.480 11.966 1.00 45.21 C ATOM 1658 CD1 TYR A 99 -20.097 7.446 12.646 1.00 50.44 C ATOM 1659 CD2 TYR A 99 -18.713 9.386 12.704 1.00 11.10 C ATOM 1660 CE1 TYR A 99 -19.984 7.319 14.017 1.00 75.14 C ATOM 1661 CE2 TYR A 99 -18.594 9.266 14.075 1.00 62.41 C ATOM 1662 CZ TYR A 99 -19.231 8.231 14.727 1.00 74.43 C ATOM 1663 OH TYR A 99 -19.116 8.108 16.092 1.00 32.14 O ATOM 0 H TYR A 99 -21.424 7.169 9.645 1.00 64.13 H new ATOM 0 HA TYR A 99 -21.374 9.761 10.824 1.00 70.11 H new ATOM 0 HB2 TYR A 99 -19.442 7.639 10.006 1.00 24.43 H new ATOM 0 HB3 TYR A 99 -18.797 9.266 10.099 1.00 24.43 H new ATOM 0 HD1 TYR A 99 -20.687 6.729 12.093 1.00 50.44 H new ATOM 0 HD2 TYR A 99 -18.213 10.198 12.197 1.00 11.10 H new ATOM 0 HE1 TYR A 99 -20.483 6.510 14.530 1.00 75.14 H new ATOM 0 HE2 TYR A 99 -18.005 9.979 14.633 1.00 62.41 H new ATOM 0 HH TYR A 99 -18.551 8.829 16.439 1.00 32.14 H new ATOM 1673 N GLU A 100 -20.561 9.486 7.638 1.00 73.21 N ATOM 1674 CA GLU A 100 -20.363 10.245 6.409 1.00 10.30 C ATOM 1675 C GLU A 100 -21.621 11.028 6.044 1.00 32.21 C ATOM 1676 O GLU A 100 -21.558 12.220 5.745 1.00 14.53 O ATOM 1677 CB GLU A 100 -19.980 9.309 5.261 1.00 55.12 C ATOM 1678 CG GLU A 100 -18.644 8.614 5.461 1.00 12.24 C ATOM 1679 CD GLU A 100 -17.697 8.824 4.296 1.00 21.50 C ATOM 1680 OE1 GLU A 100 -17.042 9.886 4.248 1.00 30.02 O ATOM 1681 OE2 GLU A 100 -17.611 7.926 3.432 1.00 5.03 O ATOM 0 H GLU A 100 -20.544 8.473 7.516 1.00 73.21 H new ATOM 0 HA GLU A 100 -19.551 10.953 6.577 1.00 10.30 H new ATOM 0 HB2 GLU A 100 -20.758 8.555 5.144 1.00 55.12 H new ATOM 0 HB3 GLU A 100 -19.947 9.880 4.333 1.00 55.12 H new ATOM 0 HG2 GLU A 100 -18.179 8.985 6.374 1.00 12.24 H new ATOM 0 HG3 GLU A 100 -18.812 7.546 5.600 1.00 12.24 H new ATOM 1688 N ARG A 101 -22.763 10.347 6.070 1.00 5.43 N ATOM 1689 CA ARG A 101 -24.035 10.977 5.741 1.00 53.42 C ATOM 1690 C ARG A 101 -24.383 12.063 6.755 1.00 53.11 C ATOM 1691 O ARG A 101 -24.982 13.082 6.409 1.00 43.14 O ATOM 1692 CB ARG A 101 -25.150 9.931 5.695 1.00 31.34 C ATOM 1693 CG ARG A 101 -25.541 9.397 7.064 1.00 1.51 C ATOM 1694 CD ARG A 101 -26.594 8.306 6.957 1.00 53.12 C ATOM 1695 NE ARG A 101 -27.877 8.827 6.492 1.00 11.33 N ATOM 1696 CZ ARG A 101 -28.701 9.537 7.255 1.00 52.45 C ATOM 1697 NH1 ARG A 101 -28.378 9.810 8.511 1.00 30.12 N ATOM 1698 NH2 ARG A 101 -29.851 9.977 6.760 1.00 53.12 N ATOM 0 H ARG A 101 -22.832 9.359 6.316 1.00 5.43 H new ATOM 0 HA ARG A 101 -23.939 11.439 4.758 1.00 53.42 H new ATOM 0 HB2 ARG A 101 -26.028 10.369 5.221 1.00 31.34 H new ATOM 0 HB3 ARG A 101 -24.831 9.099 5.067 1.00 31.34 H new ATOM 0 HG2 ARG A 101 -24.658 9.004 7.568 1.00 1.51 H new ATOM 0 HG3 ARG A 101 -25.922 10.213 7.679 1.00 1.51 H new ATOM 0 HD2 ARG A 101 -26.247 7.533 6.271 1.00 53.12 H new ATOM 0 HD3 ARG A 101 -26.726 7.833 7.930 1.00 53.12 H new ATOM 0 HE ARG A 101 -28.155 8.635 5.530 1.00 11.33 H new ATOM 0 HH11 ARG A 101 -27.494 9.475 8.895 1.00 30.12 H new ATOM 0 HH12 ARG A 101 -29.013 10.355 9.094 1.00 30.12 H new ATOM 0 HH21 ARG A 101 -30.103 9.770 5.793 1.00 53.12 H new ATOM 0 HH22 ARG A 101 -30.483 10.522 7.346 1.00 53.12 H new ATOM 1712 N HIS A 102 -24.005 11.837 8.009 1.00 2.41 N ATOM 1713 CA HIS A 102 -24.277 12.796 9.074 1.00 43.40 C ATOM 1714 C HIS A 102 -23.460 14.070 8.880 1.00 44.12 C ATOM 1715 O HIS A 102 -23.992 15.177 8.953 1.00 43.35 O ATOM 1716 CB HIS A 102 -23.964 12.179 10.437 1.00 31.13 C ATOM 1717 CG HIS A 102 -24.074 13.148 11.573 1.00 15.45 C ATOM 1718 ND1 HIS A 102 -25.282 13.592 12.069 1.00 11.44 N ATOM 1719 CD2 HIS A 102 -23.119 13.758 12.313 1.00 43.42 C ATOM 1720 CE1 HIS A 102 -25.064 14.435 13.063 1.00 34.13 C ATOM 1721 NE2 HIS A 102 -23.760 14.553 13.232 1.00 64.44 N ATOM 0 H HIS A 102 -23.510 10.999 8.313 1.00 2.41 H new ATOM 0 HA HIS A 102 -25.335 13.054 9.035 1.00 43.40 H new ATOM 0 HB2 HIS A 102 -24.644 11.346 10.614 1.00 31.13 H new ATOM 0 HB3 HIS A 102 -22.955 11.768 10.417 1.00 31.13 H new ATOM 0 HD2 HIS A 102 -22.051 13.641 12.202 1.00 43.42 H new ATOM 0 HE1 HIS A 102 -25.824 14.942 13.639 1.00 34.13 H new ATOM 0 HE2 HIS A 102 -23.303 15.139 13.931 1.00 64.44 H new ATOM 1729 N MET A 103 -22.164 13.904 8.633 1.00 12.53 N ATOM 1730 CA MET A 103 -21.274 15.041 8.428 1.00 12.44 C ATOM 1731 C MET A 103 -21.731 15.883 7.241 1.00 73.52 C ATOM 1732 O MET A 103 -21.769 17.111 7.317 1.00 70.04 O ATOM 1733 CB MET A 103 -19.839 14.560 8.205 1.00 75.51 C ATOM 1734 CG MET A 103 -19.035 14.429 9.488 1.00 35.33 C ATOM 1735 SD MET A 103 -18.711 16.021 10.270 1.00 35.22 S ATOM 1736 CE MET A 103 -17.871 15.500 11.764 1.00 71.34 C ATOM 0 H MET A 103 -21.708 12.994 8.570 1.00 12.53 H new ATOM 0 HA MET A 103 -21.306 15.661 9.324 1.00 12.44 H new ATOM 0 HB2 MET A 103 -19.863 13.594 7.701 1.00 75.51 H new ATOM 0 HB3 MET A 103 -19.331 15.256 7.537 1.00 75.51 H new ATOM 0 HG2 MET A 103 -19.574 13.789 10.186 1.00 35.33 H new ATOM 0 HG3 MET A 103 -18.088 13.936 9.270 1.00 35.33 H new ATOM 0 HE1 MET A 103 -17.605 16.376 12.356 1.00 71.34 H new ATOM 0 HE2 MET A 103 -18.530 14.855 12.346 1.00 71.34 H new ATOM 0 HE3 MET A 103 -16.966 14.952 11.501 1.00 71.34 H new ATOM 1746 N ILE A 104 -22.077 15.214 6.146 1.00 61.31 N ATOM 1747 CA ILE A 104 -22.532 15.901 4.944 1.00 61.55 C ATOM 1748 C ILE A 104 -23.962 16.405 5.106 1.00 23.13 C ATOM 1749 O ILE A 104 -24.385 17.334 4.419 1.00 51.11 O ATOM 1750 CB ILE A 104 -22.461 14.982 3.709 1.00 21.14 C ATOM 1751 CG1 ILE A 104 -23.496 13.861 3.821 1.00 30.40 C ATOM 1752 CG2 ILE A 104 -21.061 14.405 3.558 1.00 33.14 C ATOM 1753 CD1 ILE A 104 -23.467 12.894 2.658 1.00 73.10 C ATOM 0 H ILE A 104 -22.051 14.197 6.067 1.00 61.31 H new ATOM 0 HA ILE A 104 -21.865 16.750 4.795 1.00 61.55 H new ATOM 0 HB ILE A 104 -22.687 15.572 2.821 1.00 21.14 H new ATOM 0 HG12 ILE A 104 -23.324 13.310 4.746 1.00 30.40 H new ATOM 0 HG13 ILE A 104 -24.491 14.301 3.892 1.00 30.40 H new ATOM 0 HG21 ILE A 104 -21.027 13.758 2.681 1.00 33.14 H new ATOM 0 HG22 ILE A 104 -20.344 15.217 3.438 1.00 33.14 H new ATOM 0 HG23 ILE A 104 -20.808 13.826 4.446 1.00 33.14 H new ATOM 0 HD11 ILE A 104 -24.227 12.126 2.804 1.00 73.10 H new ATOM 0 HD12 ILE A 104 -23.669 13.432 1.732 1.00 73.10 H new ATOM 0 HD13 ILE A 104 -22.485 12.426 2.599 1.00 73.10 H new ATOM 1765 N SER A 105 -24.701 15.787 6.022 1.00 22.10 N ATOM 1766 CA SER A 105 -26.084 16.172 6.274 1.00 35.45 C ATOM 1767 C SER A 105 -26.165 17.610 6.777 1.00 33.24 C ATOM 1768 O SER A 105 -27.128 18.323 6.496 1.00 44.25 O ATOM 1769 CB SER A 105 -26.721 15.226 7.295 1.00 41.00 C ATOM 1770 OG SER A 105 -27.614 14.323 6.666 1.00 12.40 O ATOM 0 H SER A 105 -24.365 15.018 6.602 1.00 22.10 H new ATOM 0 HA SER A 105 -26.631 16.103 5.334 1.00 35.45 H new ATOM 0 HB2 SER A 105 -25.942 14.669 7.815 1.00 41.00 H new ATOM 0 HB3 SER A 105 -27.255 15.805 8.048 1.00 41.00 H new ATOM 0 HG SER A 105 -28.494 14.744 6.574 1.00 12.40 H new ATOM 1776 N GLN A 106 -25.148 18.027 7.523 1.00 4.23 N ATOM 1777 CA GLN A 106 -25.103 19.380 8.066 1.00 34.34 C ATOM 1778 C GLN A 106 -25.216 20.417 6.954 1.00 35.11 C ATOM 1779 O GLN A 106 -25.943 21.402 7.083 1.00 24.13 O ATOM 1780 CB GLN A 106 -23.808 19.595 8.851 1.00 60.11 C ATOM 1781 CG GLN A 106 -23.918 19.223 10.321 1.00 62.23 C ATOM 1782 CD GLN A 106 -22.817 19.837 11.162 1.00 5.11 C ATOM 1783 OE1 GLN A 106 -22.405 20.975 10.932 1.00 20.42 O ATOM 1784 NE2 GLN A 106 -22.333 19.086 12.144 1.00 24.23 N ATOM 0 H GLN A 106 -24.344 17.448 7.766 1.00 4.23 H new ATOM 0 HA GLN A 106 -25.952 19.502 8.739 1.00 34.34 H new ATOM 0 HB2 GLN A 106 -23.014 19.005 8.394 1.00 60.11 H new ATOM 0 HB3 GLN A 106 -23.514 20.641 8.771 1.00 60.11 H new ATOM 0 HG2 GLN A 106 -24.886 19.548 10.703 1.00 62.23 H new ATOM 0 HG3 GLN A 106 -23.884 18.138 10.421 1.00 62.23 H new ATOM 0 HE21 GLN A 106 -22.704 18.148 12.299 1.00 24.23 H new ATOM 0 HE22 GLN A 106 -21.591 19.447 12.743 1.00 24.23 H new ATOM 1793 N GLU A 107 -24.493 20.188 5.862 1.00 11.24 N ATOM 1794 CA GLU A 107 -24.512 21.105 4.728 1.00 32.53 C ATOM 1795 C GLU A 107 -25.265 20.495 3.549 1.00 11.21 C ATOM 1796 O GLU A 107 -25.045 20.869 2.398 1.00 64.21 O ATOM 1797 CB GLU A 107 -23.085 21.460 4.307 1.00 2.14 C ATOM 1798 CG GLU A 107 -22.924 22.903 3.861 1.00 45.51 C ATOM 1799 CD GLU A 107 -22.832 23.868 5.027 1.00 0.22 C ATOM 1800 OE1 GLU A 107 -22.417 23.437 6.123 1.00 5.40 O ATOM 1801 OE2 GLU A 107 -23.176 25.055 4.843 1.00 21.32 O ATOM 0 H GLU A 107 -23.888 19.376 5.739 1.00 11.24 H new ATOM 0 HA GLU A 107 -25.029 22.014 5.036 1.00 32.53 H new ATOM 0 HB2 GLU A 107 -22.411 21.269 5.142 1.00 2.14 H new ATOM 0 HB3 GLU A 107 -22.780 20.801 3.494 1.00 2.14 H new ATOM 0 HG2 GLU A 107 -22.026 22.992 3.249 1.00 45.51 H new ATOM 0 HG3 GLU A 107 -23.769 23.181 3.230 1.00 45.51 H new ATOM 1808 N GLY A 108 -26.155 19.553 3.846 1.00 53.12 N ATOM 1809 CA GLY A 108 -26.927 18.906 2.801 1.00 41.12 C ATOM 1810 C GLY A 108 -28.046 18.046 3.354 1.00 2.22 C ATOM 1811 O GLY A 108 -28.198 16.888 2.965 1.00 70.04 O ATOM 0 H GLY A 108 -26.355 19.226 4.791 1.00 53.12 H new ATOM 0 HA2 GLY A 108 -27.348 19.665 2.142 1.00 41.12 H new ATOM 0 HA3 GLY A 108 -26.265 18.289 2.194 1.00 41.12 H new ATOM 1815 N ILE A 109 -28.829 18.612 4.266 1.00 55.44 N ATOM 1816 CA ILE A 109 -29.939 17.889 4.873 1.00 14.15 C ATOM 1817 C ILE A 109 -30.906 17.374 3.813 1.00 74.21 C ATOM 1818 O ILE A 109 -31.631 16.404 4.036 1.00 32.11 O ATOM 1819 CB ILE A 109 -30.711 18.776 5.869 1.00 74.44 C ATOM 1820 CG1 ILE A 109 -31.042 20.127 5.231 1.00 30.24 C ATOM 1821 CG2 ILE A 109 -29.903 18.968 7.143 1.00 14.42 C ATOM 1822 CD1 ILE A 109 -32.040 20.941 6.025 1.00 62.01 C ATOM 0 H ILE A 109 -28.715 19.569 4.601 1.00 55.44 H new ATOM 0 HA ILE A 109 -29.509 17.043 5.409 1.00 14.15 H new ATOM 0 HB ILE A 109 -31.646 18.279 6.127 1.00 74.44 H new ATOM 0 HG12 ILE A 109 -30.123 20.702 5.119 1.00 30.24 H new ATOM 0 HG13 ILE A 109 -31.437 19.960 4.229 1.00 30.24 H new ATOM 0 HG21 ILE A 109 -30.461 19.597 7.837 1.00 14.42 H new ATOM 0 HG22 ILE A 109 -29.714 17.998 7.604 1.00 14.42 H new ATOM 0 HG23 ILE A 109 -28.954 19.447 6.903 1.00 14.42 H new ATOM 0 HD11 ILE A 109 -32.228 21.886 5.514 1.00 62.01 H new ATOM 0 HD12 ILE A 109 -32.973 20.385 6.115 1.00 62.01 H new ATOM 0 HD13 ILE A 109 -31.639 21.139 7.019 1.00 62.01 H new ATOM 1834 N LYS A 110 -30.911 18.028 2.657 1.00 52.34 N ATOM 1835 CA LYS A 110 -31.786 17.636 1.558 1.00 33.34 C ATOM 1836 C LYS A 110 -31.538 16.186 1.156 1.00 25.41 C ATOM 1837 O LYS A 110 -32.424 15.519 0.623 1.00 14.54 O ATOM 1838 CB LYS A 110 -31.570 18.554 0.354 1.00 54.54 C ATOM 1839 CG LYS A 110 -32.805 19.349 -0.034 1.00 52.41 C ATOM 1840 CD LYS A 110 -33.102 20.446 0.975 1.00 44.54 C ATOM 1841 CE LYS A 110 -32.914 21.828 0.367 1.00 54.04 C ATOM 1842 NZ LYS A 110 -33.398 22.904 1.275 1.00 14.11 N ATOM 0 H LYS A 110 -30.318 18.833 2.456 1.00 52.34 H new ATOM 0 HA LYS A 110 -32.818 17.729 1.897 1.00 33.34 H new ATOM 0 HB2 LYS A 110 -30.758 19.246 0.576 1.00 54.54 H new ATOM 0 HB3 LYS A 110 -31.252 17.953 -0.498 1.00 54.54 H new ATOM 0 HG2 LYS A 110 -32.660 19.790 -1.020 1.00 52.41 H new ATOM 0 HG3 LYS A 110 -33.662 18.679 -0.107 1.00 52.41 H new ATOM 0 HD2 LYS A 110 -34.125 20.342 1.336 1.00 44.54 H new ATOM 0 HD3 LYS A 110 -32.446 20.335 1.839 1.00 44.54 H new ATOM 0 HE2 LYS A 110 -31.859 21.987 0.146 1.00 54.04 H new ATOM 0 HE3 LYS A 110 -33.450 21.884 -0.580 1.00 54.04 H new ATOM 0 HZ1 LYS A 110 -33.252 23.830 0.825 1.00 14.11 H new ATOM 0 HZ2 LYS A 110 -34.411 22.767 1.466 1.00 14.11 H new ATOM 0 HZ3 LYS A 110 -32.869 22.867 2.170 1.00 14.11 H new ATOM 1856 N GLU A 111 -30.326 15.703 1.416 1.00 13.33 N ATOM 1857 CA GLU A 111 -29.963 14.331 1.081 1.00 1.53 C ATOM 1858 C GLU A 111 -30.587 13.347 2.066 1.00 10.24 C ATOM 1859 O GLU A 111 -30.814 12.182 1.739 1.00 53.14 O ATOM 1860 CB GLU A 111 -28.441 14.170 1.077 1.00 33.01 C ATOM 1861 CG GLU A 111 -27.908 13.461 -0.157 1.00 2.34 C ATOM 1862 CD GLU A 111 -26.449 13.776 -0.425 1.00 20.10 C ATOM 1863 OE1 GLU A 111 -25.643 13.705 0.526 1.00 3.23 O ATOM 1864 OE2 GLU A 111 -26.113 14.093 -1.585 1.00 75.02 O ATOM 0 H GLU A 111 -29.580 16.241 1.857 1.00 13.33 H new ATOM 0 HA GLU A 111 -30.347 14.113 0.085 1.00 1.53 H new ATOM 0 HB2 GLU A 111 -27.980 15.155 1.148 1.00 33.01 H new ATOM 0 HB3 GLU A 111 -28.141 13.613 1.964 1.00 33.01 H new ATOM 0 HG2 GLU A 111 -28.027 12.385 -0.033 1.00 2.34 H new ATOM 0 HG3 GLU A 111 -28.503 13.750 -1.023 1.00 2.34 H new ATOM 1871 N THR A 112 -30.862 13.824 3.277 1.00 41.25 N ATOM 1872 CA THR A 112 -31.458 12.988 4.311 1.00 63.45 C ATOM 1873 C THR A 112 -32.857 12.534 3.912 1.00 74.01 C ATOM 1874 O THR A 112 -33.179 11.348 3.984 1.00 44.23 O ATOM 1875 CB THR A 112 -31.535 13.730 5.658 1.00 33.31 C ATOM 1876 OG1 THR A 112 -30.261 14.300 5.977 1.00 13.41 O ATOM 1877 CG2 THR A 112 -31.967 12.787 6.771 1.00 33.10 C ATOM 0 H THR A 112 -30.681 14.786 3.565 1.00 41.25 H new ATOM 0 HA THR A 112 -30.814 12.115 4.422 1.00 63.45 H new ATOM 0 HB THR A 112 -32.276 14.525 5.568 1.00 33.31 H new ATOM 0 HG1 THR A 112 -30.352 14.889 6.755 1.00 13.41 H new ATOM 0 HG21 THR A 112 -32.014 13.333 7.713 1.00 33.10 H new ATOM 0 HG22 THR A 112 -32.950 12.377 6.539 1.00 33.10 H new ATOM 0 HG23 THR A 112 -31.246 11.974 6.859 1.00 33.10 H new ATOM 1885 N GLN A 113 -33.685 13.485 3.491 1.00 33.14 N ATOM 1886 CA GLN A 113 -35.051 13.181 3.081 1.00 12.33 C ATOM 1887 C GLN A 113 -35.063 12.234 1.886 1.00 21.12 C ATOM 1888 O GLN A 113 -36.049 11.539 1.642 1.00 0.21 O ATOM 1889 CB GLN A 113 -35.800 14.469 2.734 1.00 41.13 C ATOM 1890 CG GLN A 113 -36.434 15.148 3.937 1.00 30.10 C ATOM 1891 CD GLN A 113 -35.616 16.319 4.444 1.00 13.33 C ATOM 1892 OE1 GLN A 113 -34.415 16.410 4.188 1.00 14.21 O ATOM 1893 NE2 GLN A 113 -36.264 17.224 5.168 1.00 12.44 N ATOM 0 H GLN A 113 -33.434 14.471 3.425 1.00 33.14 H new ATOM 0 HA GLN A 113 -35.553 12.690 3.915 1.00 12.33 H new ATOM 0 HB2 GLN A 113 -35.109 15.164 2.258 1.00 41.13 H new ATOM 0 HB3 GLN A 113 -36.577 14.242 2.004 1.00 41.13 H new ATOM 0 HG2 GLN A 113 -37.432 15.496 3.669 1.00 30.10 H new ATOM 0 HG3 GLN A 113 -36.555 14.420 4.739 1.00 30.10 H new ATOM 0 HE21 GLN A 113 -37.260 17.109 5.356 1.00 12.44 H new ATOM 0 HE22 GLN A 113 -35.766 18.034 5.536 1.00 12.44 H new ATOM 1902 N ALA A 114 -33.961 12.212 1.144 1.00 24.42 N ATOM 1903 CA ALA A 114 -33.844 11.348 -0.024 1.00 43.45 C ATOM 1904 C ALA A 114 -33.783 9.880 0.382 1.00 74.24 C ATOM 1905 O ALA A 114 -34.153 8.995 -0.391 1.00 12.31 O ATOM 1906 CB ALA A 114 -32.614 11.724 -0.837 1.00 45.22 C ATOM 0 H ALA A 114 -33.136 12.783 1.331 1.00 24.42 H new ATOM 0 HA ALA A 114 -34.732 11.490 -0.640 1.00 43.45 H new ATOM 0 HB1 ALA A 114 -32.539 11.071 -1.706 1.00 45.22 H new ATOM 0 HB2 ALA A 114 -32.699 12.759 -1.167 1.00 45.22 H new ATOM 0 HB3 ALA A 114 -31.722 11.612 -0.221 1.00 45.22 H new ATOM 1912 N LYS A 115 -33.314 9.626 1.599 1.00 52.14 N ATOM 1913 CA LYS A 115 -33.205 8.265 2.109 1.00 74.53 C ATOM 1914 C LYS A 115 -33.218 8.252 3.634 1.00 44.40 C ATOM 1915 O LYS A 115 -32.279 8.725 4.275 1.00 10.13 O ATOM 1916 CB LYS A 115 -31.924 7.606 1.593 1.00 30.41 C ATOM 1917 CG LYS A 115 -31.864 6.110 1.850 1.00 65.22 C ATOM 1918 CD LYS A 115 -30.530 5.523 1.417 1.00 54.22 C ATOM 1919 CE LYS A 115 -30.478 5.310 -0.088 1.00 62.13 C ATOM 1920 NZ LYS A 115 -29.225 5.853 -0.682 1.00 24.11 N ATOM 0 H LYS A 115 -33.003 10.346 2.251 1.00 52.14 H new ATOM 0 HA LYS A 115 -34.066 7.700 1.752 1.00 74.53 H new ATOM 0 HB2 LYS A 115 -31.839 7.786 0.521 1.00 30.41 H new ATOM 0 HB3 LYS A 115 -31.065 8.082 2.065 1.00 30.41 H new ATOM 0 HG2 LYS A 115 -32.021 5.916 2.911 1.00 65.22 H new ATOM 0 HG3 LYS A 115 -32.672 5.615 1.312 1.00 65.22 H new ATOM 0 HD2 LYS A 115 -29.722 6.190 1.719 1.00 54.22 H new ATOM 0 HD3 LYS A 115 -30.367 4.573 1.926 1.00 54.22 H new ATOM 0 HE2 LYS A 115 -30.552 4.245 -0.307 1.00 62.13 H new ATOM 0 HE3 LYS A 115 -31.339 5.791 -0.553 1.00 62.13 H new ATOM 0 HZ1 LYS A 115 -29.440 6.722 -1.212 1.00 24.11 H new ATOM 0 HZ2 LYS A 115 -28.547 6.069 0.076 1.00 24.11 H new ATOM 0 HZ3 LYS A 115 -28.812 5.148 -1.326 1.00 24.11 H new ATOM 1934 N ARG A 116 -34.285 7.708 4.208 1.00 33.04 N ATOM 1935 CA ARG A 116 -34.419 7.634 5.658 1.00 4.23 C ATOM 1936 C ARG A 116 -34.200 9.004 6.295 1.00 72.23 C ATOM 1937 O ARG A 116 -34.219 9.141 7.518 1.00 22.40 O ATOM 1938 CB ARG A 116 -33.420 6.628 6.233 1.00 32.21 C ATOM 1939 CG ARG A 116 -34.053 5.307 6.640 1.00 64.23 C ATOM 1940 CD ARG A 116 -33.435 4.139 5.887 1.00 30.42 C ATOM 1941 NE ARG A 116 -31.997 4.035 6.121 1.00 12.35 N ATOM 1942 CZ ARG A 116 -31.467 3.625 7.268 1.00 0.44 C ATOM 1943 NH1 ARG A 116 -32.252 3.282 8.280 1.00 30.40 N ATOM 1944 NH2 ARG A 116 -30.149 3.558 7.405 1.00 42.12 N ATOM 0 H ARG A 116 -35.070 7.312 3.691 1.00 33.04 H new ATOM 0 HA ARG A 116 -35.432 7.303 5.888 1.00 4.23 H new ATOM 0 HB2 ARG A 116 -32.643 6.436 5.493 1.00 32.21 H new ATOM 0 HB3 ARG A 116 -32.931 7.070 7.101 1.00 32.21 H new ATOM 0 HG2 ARG A 116 -33.928 5.157 7.712 1.00 64.23 H new ATOM 0 HG3 ARG A 116 -35.125 5.341 6.446 1.00 64.23 H new ATOM 0 HD2 ARG A 116 -33.920 3.212 6.194 1.00 30.42 H new ATOM 0 HD3 ARG A 116 -33.621 4.257 4.819 1.00 30.42 H new ATOM 0 HE ARG A 116 -31.365 4.291 5.362 1.00 12.35 H new ATOM 0 HH11 ARG A 116 -33.266 3.333 8.179 1.00 30.40 H new ATOM 0 HH12 ARG A 116 -31.842 2.968 9.160 1.00 30.40 H new ATOM 0 HH21 ARG A 116 -29.542 3.821 6.629 1.00 42.12 H new ATOM 0 HH22 ARG A 116 -29.743 3.243 8.286 1.00 42.12 H new TER 1958 ARG A 116