USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 773 hydrogens (6 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 100 MET CE :methyl -158:sc= 0 (180deg=0) USER MOD Set 1.2: A 103 THR OG1 : rot 75:sc= 1 USER MOD Set 2.1: A 32 GLN : amide:sc= 1.77 K(o=3.3,f=0.092) USER MOD Set 2.2: A 41 GLN : amide:sc= 1.11 K(o=3.3,f=0.5) USER MOD Set 2.3: A 114 SER OG : rot -154:sc= 0.454 USER MOD Set 2.4: A 117 SER OG : rot -130:sc=-0.000544 USER MOD Single : A 38 ASN : amide:sc= -2.08! X(o=-2.1!,f=-2.4) USER MOD Single : A 42 TYR OH : rot 169:sc= 0 USER MOD Single : A 43 ASN : amide:sc=-0.00768 X(o=-0.0077,f=-0.44) USER MOD Single : A 50 THR OG1 : rot 70:sc= 0.506 USER MOD Single : A 55 LYS NZ :NH3+ -155:sc= 1.16 (180deg=0.253) USER MOD Single : A 56 GLN : amide:sc= -0.2 X(o=-0.2,f=-0.099) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0.371 K(o=0.37,f=-7.3!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot -102:sc= -1.7! USER MOD Single : A 72 SER OG : rot 180:sc= -0.138 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 170:sc=-0.00705 (180deg=-0.118) USER MOD Single : A 80 LYS NZ :NH3+ -169:sc= -0.0265 (180deg=-0.182) USER MOD Single : A 85 SER OG : rot 86:sc= 1.18 USER MOD Single : A 87 ASN : amide:sc= -0.0786 X(o=-0.079,f=-0.076) USER MOD Single : A 89 ASN : amide:sc= -0.0332 K(o=-0.033,f=-1.8!) USER MOD Single : A 90 THR OG1 : rot -151:sc= 1.24 USER MOD Single : A 91 MET CE :methyl 158:sc= -0.165 (180deg=-0.839) USER MOD Single : A 94 TYR OH : rot 4:sc= 1.21 USER MOD Single : A 95 THR OG1 : rot 180:sc=-0.00789 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -0.493 K(o=-0.49,f=-1.3) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.0465 USER MOD Single : A 104 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.169) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 HIS : no HD1:sc= -0.162 X(o=-0.16,f=0) USER MOD Single : A 109 MET CE :methyl 165:sc= 0 (180deg=-0.31) USER MOD Single : A 110 LYS NZ :NH3+ 175:sc=-0.00413 (180deg=-0.0454) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 169 HC4 O4' : rot 98:sc= 0.18 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 26 -11.980 -7.123 10.396 1.00 2.56 N ATOM 2 CA LEU A 26 -10.760 -6.465 10.914 1.00 1.97 C ATOM 3 C LEU A 26 -10.946 -4.953 10.911 1.00 1.87 C ATOM 4 O LEU A 26 -11.994 -4.454 10.500 1.00 2.52 O ATOM 5 CB LEU A 26 -9.536 -6.844 10.068 1.00 2.20 C ATOM 6 CG LEU A 26 -9.027 -8.272 10.201 1.00 2.82 C ATOM 7 CD1 LEU A 26 -8.750 -8.622 11.653 1.00 3.22 C ATOM 8 CD2 LEU A 26 -9.992 -9.268 9.575 1.00 3.34 C ATOM 0 HA LEU A 26 -10.591 -6.806 11.936 1.00 1.97 H new ATOM 0 HB2 LEU A 26 -9.778 -6.666 9.020 1.00 2.20 H new ATOM 0 HB3 LEU A 26 -8.721 -6.167 10.326 1.00 2.20 H new ATOM 0 HG LEU A 26 -8.086 -8.336 9.654 1.00 2.82 H new ATOM 0 HD11 LEU A 26 -8.388 -9.648 11.717 1.00 3.22 H new ATOM 0 HD12 LEU A 26 -7.995 -7.945 12.053 1.00 3.22 H new ATOM 0 HD13 LEU A 26 -9.668 -8.525 12.232 1.00 3.22 H new ATOM 0 HD21 LEU A 26 -9.597 -10.278 9.688 1.00 3.34 H new ATOM 0 HD22 LEU A 26 -10.959 -9.199 10.072 1.00 3.34 H new ATOM 0 HD23 LEU A 26 -10.112 -9.042 8.515 1.00 3.34 H new ATOM 20 N ALA A 27 -9.929 -4.229 11.359 1.00 1.72 N ATOM 21 CA ALA A 27 -10.023 -2.781 11.470 1.00 2.23 C ATOM 22 C ALA A 27 -8.875 -2.092 10.738 1.00 2.04 C ATOM 23 O ALA A 27 -9.101 -1.287 9.832 1.00 2.86 O ATOM 24 CB ALA A 27 -10.037 -2.367 12.933 1.00 2.90 C ATOM 0 H ALA A 27 -9.033 -4.620 11.650 1.00 1.72 H new ATOM 0 HA ALA A 27 -10.956 -2.468 11.001 1.00 2.23 H new ATOM 0 HB1 ALA A 27 -10.108 -1.282 13.003 1.00 2.90 H new ATOM 0 HB2 ALA A 27 -10.895 -2.819 13.431 1.00 2.90 H new ATOM 0 HB3 ALA A 27 -9.119 -2.703 13.415 1.00 2.90 H new ATOM 30 N PHE A 28 -7.650 -2.418 11.126 1.00 1.27 N ATOM 31 CA PHE A 28 -6.469 -1.785 10.555 1.00 1.21 C ATOM 32 C PHE A 28 -5.804 -2.710 9.548 1.00 0.94 C ATOM 33 O PHE A 28 -5.848 -3.931 9.696 1.00 0.94 O ATOM 34 CB PHE A 28 -5.477 -1.412 11.660 1.00 1.52 C ATOM 35 CG PHE A 28 -6.050 -0.473 12.682 1.00 1.96 C ATOM 36 CD1 PHE A 28 -6.179 0.877 12.404 1.00 2.75 C ATOM 37 CD2 PHE A 28 -6.464 -0.943 13.918 1.00 2.12 C ATOM 38 CE1 PHE A 28 -6.711 1.741 13.340 1.00 3.75 C ATOM 39 CE2 PHE A 28 -6.996 -0.083 14.858 1.00 2.99 C ATOM 40 CZ PHE A 28 -7.121 1.261 14.568 1.00 3.85 C ATOM 0 H PHE A 28 -7.447 -3.121 11.837 1.00 1.27 H new ATOM 0 HA PHE A 28 -6.781 -0.876 10.041 1.00 1.21 H new ATOM 0 HB2 PHE A 28 -5.142 -2.321 12.160 1.00 1.52 H new ATOM 0 HB3 PHE A 28 -4.597 -0.954 11.209 1.00 1.52 H new ATOM 0 HD1 PHE A 28 -5.860 1.258 11.445 1.00 2.75 H new ATOM 0 HD2 PHE A 28 -6.369 -1.994 14.149 1.00 2.12 H new ATOM 0 HE1 PHE A 28 -6.807 2.792 13.112 1.00 3.75 H new ATOM 0 HE2 PHE A 28 -7.314 -0.461 15.818 1.00 2.99 H new ATOM 0 HZ PHE A 28 -7.539 1.936 15.300 1.00 3.85 H new ATOM 50 N GLY A 29 -5.186 -2.124 8.533 1.00 0.85 N ATOM 51 CA GLY A 29 -4.578 -2.910 7.484 1.00 0.73 C ATOM 52 C GLY A 29 -3.066 -2.943 7.580 1.00 0.63 C ATOM 53 O GLY A 29 -2.448 -2.055 8.178 1.00 0.69 O ATOM 0 H GLY A 29 -5.096 -1.114 8.419 1.00 0.85 H new ATOM 0 HA2 GLY A 29 -4.963 -3.929 7.529 1.00 0.73 H new ATOM 0 HA3 GLY A 29 -4.868 -2.502 6.516 1.00 0.73 H new ATOM 57 N ALA A 30 -2.479 -3.957 6.971 1.00 0.66 N ATOM 58 CA ALA A 30 -1.038 -4.157 6.985 1.00 0.59 C ATOM 59 C ALA A 30 -0.651 -5.122 5.874 1.00 0.56 C ATOM 60 O ALA A 30 -1.009 -6.293 5.914 1.00 0.65 O ATOM 61 CB ALA A 30 -0.584 -4.697 8.332 1.00 0.71 C ATOM 0 H ALA A 30 -2.989 -4.670 6.450 1.00 0.66 H new ATOM 0 HA ALA A 30 -0.546 -3.199 6.821 1.00 0.59 H new ATOM 0 HB1 ALA A 30 0.497 -4.840 8.321 1.00 0.71 H new ATOM 0 HB2 ALA A 30 -0.849 -3.988 9.116 1.00 0.71 H new ATOM 0 HB3 ALA A 30 -1.074 -5.651 8.525 1.00 0.71 H new ATOM 67 N ILE A 31 0.052 -4.625 4.871 1.00 0.49 N ATOM 68 CA ILE A 31 0.395 -5.431 3.712 1.00 0.53 C ATOM 69 C ILE A 31 1.868 -5.319 3.355 1.00 0.43 C ATOM 70 O ILE A 31 2.578 -4.465 3.874 1.00 0.49 O ATOM 71 CB ILE A 31 -0.331 -5.106 2.657 1.00 0.62 C ATOM 72 CG1 ILE A 31 -0.417 -3.589 2.469 1.00 0.82 C ATOM 73 CG2 ILE A 31 -1.721 -5.713 2.775 1.00 1.08 C ATOM 74 CD1 ILE A 31 -1.216 -3.170 1.252 1.00 0.96 C ATOM 0 H ILE A 31 0.397 -3.666 4.836 1.00 0.49 H new ATOM 0 HA ILE A 31 0.178 -6.462 3.990 1.00 0.53 H new ATOM 0 HB ILE A 31 0.162 -5.512 1.774 1.00 0.62 H new ATOM 0 HG12 ILE A 31 -0.867 -3.147 3.358 1.00 0.82 H new ATOM 0 HG13 ILE A 31 0.592 -3.184 2.387 1.00 0.82 H new ATOM 0 HG21 ILE A 31 -2.313 -5.440 1.901 1.00 1.08 H new ATOM 0 HG22 ILE A 31 -1.640 -6.798 2.834 1.00 1.08 H new ATOM 0 HG23 ILE A 31 -2.207 -5.336 3.675 1.00 1.08 H new ATOM 0 HD11 ILE A 31 -1.233 -2.082 1.185 1.00 0.96 H new ATOM 0 HD12 ILE A 31 -0.755 -3.582 0.354 1.00 0.96 H new ATOM 0 HD13 ILE A 31 -2.236 -3.544 1.340 1.00 0.96 H new ATOM 86 N GLN A 32 2.332 -6.214 2.495 1.00 0.39 N ATOM 87 CA GLN A 32 3.719 -6.201 2.056 1.00 0.34 C ATOM 88 C GLN A 32 3.792 -6.081 0.540 1.00 0.33 C ATOM 89 O GLN A 32 3.069 -6.777 -0.178 1.00 0.36 O ATOM 90 CB GLN A 32 4.438 -7.468 2.523 1.00 0.37 C ATOM 91 CG GLN A 32 5.918 -7.496 2.184 1.00 0.53 C ATOM 92 CD GLN A 32 6.614 -8.726 2.724 1.00 0.58 C ATOM 93 OE1 GLN A 32 6.016 -9.798 2.836 1.00 0.68 O ATOM 94 NE2 GLN A 32 7.881 -8.581 3.071 1.00 0.86 N ATOM 0 H GLN A 32 1.767 -6.959 2.087 1.00 0.39 H new ATOM 0 HA GLN A 32 4.215 -5.337 2.499 1.00 0.34 H new ATOM 0 HB2 GLN A 32 4.321 -7.564 3.602 1.00 0.37 H new ATOM 0 HB3 GLN A 32 3.955 -8.335 2.072 1.00 0.37 H new ATOM 0 HG2 GLN A 32 6.040 -7.460 1.101 1.00 0.53 H new ATOM 0 HG3 GLN A 32 6.397 -6.605 2.589 1.00 0.53 H new ATOM 0 HE21 GLN A 32 8.339 -7.676 2.962 1.00 0.86 H new ATOM 0 HE22 GLN A 32 8.401 -9.374 3.448 1.00 0.86 H new ATOM 103 N LEU A 33 4.662 -5.201 0.062 1.00 0.38 N ATOM 104 CA LEU A 33 4.823 -4.984 -1.370 1.00 0.41 C ATOM 105 C LEU A 33 6.294 -4.834 -1.729 1.00 0.33 C ATOM 106 O LEU A 33 7.106 -4.489 -0.878 1.00 0.36 O ATOM 107 CB LEU A 33 4.042 -3.751 -1.859 1.00 0.56 C ATOM 108 CG LEU A 33 4.630 -2.368 -1.519 1.00 0.91 C ATOM 109 CD1 LEU A 33 3.753 -1.275 -2.102 1.00 1.24 C ATOM 110 CD2 LEU A 33 4.781 -2.160 -0.020 1.00 1.62 C ATOM 0 H LEU A 33 5.268 -4.625 0.646 1.00 0.38 H new ATOM 0 HA LEU A 33 4.415 -5.862 -1.872 1.00 0.41 H new ATOM 0 HB2 LEU A 33 3.944 -3.820 -2.942 1.00 0.56 H new ATOM 0 HB3 LEU A 33 3.035 -3.802 -1.444 1.00 0.56 H new ATOM 0 HG LEU A 33 5.626 -2.321 -1.960 1.00 0.91 H new ATOM 0 HD11 LEU A 33 4.175 -0.300 -1.857 1.00 1.24 H new ATOM 0 HD12 LEU A 33 3.703 -1.387 -3.185 1.00 1.24 H new ATOM 0 HD13 LEU A 33 2.750 -1.351 -1.683 1.00 1.24 H new ATOM 0 HD21 LEU A 33 5.199 -1.171 0.170 1.00 1.62 H new ATOM 0 HD22 LEU A 33 3.805 -2.239 0.458 1.00 1.62 H new ATOM 0 HD23 LEU A 33 5.448 -2.920 0.387 1.00 1.62 H new ATOM 122 N ASP A 34 6.639 -5.085 -2.984 1.00 0.33 N ATOM 123 CA ASP A 34 8.024 -4.951 -3.424 1.00 0.34 C ATOM 124 C ASP A 34 8.212 -3.672 -4.228 1.00 0.40 C ATOM 125 O ASP A 34 7.237 -3.020 -4.603 1.00 0.43 O ATOM 126 CB ASP A 34 8.505 -6.175 -4.221 1.00 0.38 C ATOM 127 CG ASP A 34 7.726 -6.442 -5.496 1.00 0.51 C ATOM 128 OD1 ASP A 34 7.702 -5.570 -6.393 1.00 0.89 O ATOM 129 OD2 ASP A 34 7.178 -7.557 -5.624 1.00 1.22 O ATOM 0 H ASP A 34 5.987 -5.380 -3.711 1.00 0.33 H new ATOM 0 HA ASP A 34 8.641 -4.894 -2.527 1.00 0.34 H new ATOM 0 HB2 ASP A 34 9.556 -6.037 -4.475 1.00 0.38 H new ATOM 0 HB3 ASP A 34 8.444 -7.056 -3.582 1.00 0.38 H new ATOM 134 N GLY A 35 9.473 -3.315 -4.465 1.00 0.47 N ATOM 135 CA GLY A 35 9.815 -2.033 -5.068 1.00 0.57 C ATOM 136 C GLY A 35 9.210 -1.794 -6.442 1.00 0.64 C ATOM 137 O GLY A 35 9.212 -0.663 -6.927 1.00 0.79 O ATOM 0 H GLY A 35 10.278 -3.902 -4.246 1.00 0.47 H new ATOM 0 HA2 GLY A 35 9.491 -1.235 -4.400 1.00 0.57 H new ATOM 0 HA3 GLY A 35 10.900 -1.962 -5.147 1.00 0.57 H new ATOM 141 N ASP A 36 8.690 -2.839 -7.075 1.00 0.58 N ATOM 142 CA ASP A 36 8.096 -2.694 -8.398 1.00 0.66 C ATOM 143 C ASP A 36 6.633 -2.284 -8.279 1.00 0.61 C ATOM 144 O ASP A 36 6.049 -1.736 -9.217 1.00 0.78 O ATOM 145 CB ASP A 36 8.209 -3.999 -9.194 1.00 0.69 C ATOM 146 CG ASP A 36 7.823 -3.826 -10.650 1.00 1.21 C ATOM 147 OD1 ASP A 36 6.752 -4.336 -11.048 1.00 1.95 O ATOM 148 OD2 ASP A 36 8.578 -3.174 -11.402 1.00 1.56 O ATOM 0 H ASP A 36 8.667 -3.787 -6.698 1.00 0.58 H new ATOM 0 HA ASP A 36 8.642 -1.916 -8.931 1.00 0.66 H new ATOM 0 HB2 ASP A 36 9.232 -4.370 -9.134 1.00 0.69 H new ATOM 0 HB3 ASP A 36 7.569 -4.755 -8.739 1.00 0.69 H new ATOM 153 N GLY A 37 6.047 -2.534 -7.112 1.00 0.51 N ATOM 154 CA GLY A 37 4.653 -2.223 -6.909 1.00 0.53 C ATOM 155 C GLY A 37 3.814 -3.468 -6.751 1.00 0.47 C ATOM 156 O GLY A 37 2.597 -3.386 -6.574 1.00 0.53 O ATOM 0 H GLY A 37 6.517 -2.947 -6.306 1.00 0.51 H new ATOM 0 HA2 GLY A 37 4.546 -1.599 -6.022 1.00 0.53 H new ATOM 0 HA3 GLY A 37 4.284 -1.642 -7.754 1.00 0.53 H new ATOM 160 N ASN A 38 4.465 -4.624 -6.808 1.00 0.40 N ATOM 161 CA ASN A 38 3.765 -5.892 -6.670 1.00 0.39 C ATOM 162 C ASN A 38 3.380 -6.120 -5.231 1.00 0.34 C ATOM 163 O ASN A 38 4.160 -5.850 -4.317 1.00 0.40 O ATOM 164 CB ASN A 38 4.616 -7.077 -7.127 1.00 0.44 C ATOM 165 CG ASN A 38 4.996 -7.014 -8.586 1.00 0.70 C ATOM 166 OD1 ASN A 38 4.245 -7.453 -9.459 1.00 1.30 O ATOM 167 ND2 ASN A 38 6.177 -6.505 -8.862 1.00 1.24 N ATOM 0 H ASN A 38 5.472 -4.708 -6.948 1.00 0.40 H new ATOM 0 HA ASN A 38 2.881 -5.830 -7.304 1.00 0.39 H new ATOM 0 HB2 ASN A 38 5.523 -7.117 -6.524 1.00 0.44 H new ATOM 0 HB3 ASN A 38 4.069 -8.001 -6.941 1.00 0.44 H new ATOM 0 HD21 ASN A 38 6.501 -6.463 -9.828 1.00 1.24 H new ATOM 0 HD22 ASN A 38 6.769 -6.152 -8.110 1.00 1.24 H new ATOM 174 N ILE A 39 2.176 -6.608 -5.032 1.00 0.32 N ATOM 175 CA ILE A 39 1.738 -6.997 -3.719 1.00 0.32 C ATOM 176 C ILE A 39 2.120 -8.454 -3.477 1.00 0.36 C ATOM 177 O ILE A 39 2.245 -9.234 -4.423 1.00 0.41 O ATOM 178 CB ILE A 39 0.433 -6.838 -3.576 1.00 0.37 C ATOM 179 CG1 ILE A 39 -0.013 -5.483 -4.131 1.00 0.41 C ATOM 180 CG2 ILE A 39 0.049 -6.960 -2.106 1.00 0.43 C ATOM 181 CD1 ILE A 39 -1.514 -5.284 -4.133 1.00 0.89 C ATOM 0 H ILE A 39 1.484 -6.744 -5.769 1.00 0.32 H new ATOM 0 HA ILE A 39 2.228 -6.357 -2.985 1.00 0.32 H new ATOM 0 HB ILE A 39 -0.074 -7.621 -4.140 1.00 0.37 H new ATOM 0 HG12 ILE A 39 0.448 -4.691 -3.541 1.00 0.41 H new ATOM 0 HG13 ILE A 39 0.359 -5.379 -5.150 1.00 0.41 H new ATOM 0 HG21 ILE A 39 -1.028 -6.828 -1.999 1.00 0.43 H new ATOM 0 HG22 ILE A 39 0.332 -7.946 -1.737 1.00 0.43 H new ATOM 0 HG23 ILE A 39 0.568 -6.194 -1.530 1.00 0.43 H new ATOM 0 HD11 ILE A 39 -1.750 -4.301 -4.540 1.00 0.89 H new ATOM 0 HD12 ILE A 39 -1.982 -6.053 -4.747 1.00 0.89 H new ATOM 0 HD13 ILE A 39 -1.892 -5.354 -3.113 1.00 0.89 H new ATOM 193 N LEU A 40 2.393 -8.795 -2.231 1.00 0.40 N ATOM 194 CA LEU A 40 2.797 -10.145 -1.880 1.00 0.49 C ATOM 195 C LEU A 40 1.736 -10.820 -1.038 1.00 0.56 C ATOM 196 O LEU A 40 1.154 -11.827 -1.433 1.00 0.73 O ATOM 197 CB LEU A 40 4.109 -10.125 -1.101 1.00 0.55 C ATOM 198 CG LEU A 40 5.366 -9.803 -1.920 1.00 0.59 C ATOM 199 CD1 LEU A 40 5.364 -8.359 -2.390 1.00 1.39 C ATOM 200 CD2 LEU A 40 6.618 -10.096 -1.112 1.00 1.45 C ATOM 0 H LEU A 40 2.342 -8.152 -1.441 1.00 0.40 H new ATOM 0 HA LEU A 40 2.931 -10.703 -2.807 1.00 0.49 H new ATOM 0 HB2 LEU A 40 4.023 -9.392 -0.299 1.00 0.55 H new ATOM 0 HB3 LEU A 40 4.245 -11.098 -0.629 1.00 0.55 H new ATOM 0 HG LEU A 40 5.361 -10.443 -2.803 1.00 0.59 H new ATOM 0 HD11 LEU A 40 6.268 -8.163 -2.967 1.00 1.39 H new ATOM 0 HD12 LEU A 40 4.489 -8.181 -3.015 1.00 1.39 H new ATOM 0 HD13 LEU A 40 5.334 -7.695 -1.526 1.00 1.39 H new ATOM 0 HD21 LEU A 40 7.499 -9.862 -1.709 1.00 1.45 H new ATOM 0 HD22 LEU A 40 6.619 -9.486 -0.209 1.00 1.45 H new ATOM 0 HD23 LEU A 40 6.635 -11.151 -0.838 1.00 1.45 H new ATOM 212 N GLN A 41 1.505 -10.267 0.138 1.00 0.59 N ATOM 213 CA GLN A 41 0.529 -10.818 1.052 1.00 0.73 C ATOM 214 C GLN A 41 -0.308 -9.712 1.674 1.00 0.61 C ATOM 215 O GLN A 41 0.219 -8.730 2.200 1.00 0.60 O ATOM 216 CB GLN A 41 1.213 -11.667 2.132 1.00 0.99 C ATOM 217 CG GLN A 41 2.365 -10.973 2.846 1.00 0.88 C ATOM 218 CD GLN A 41 3.027 -11.867 3.877 1.00 1.20 C ATOM 219 OE1 GLN A 41 2.382 -12.731 4.478 1.00 1.99 O ATOM 220 NE2 GLN A 41 4.322 -11.677 4.085 1.00 1.30 N ATOM 0 H GLN A 41 1.983 -9.434 0.481 1.00 0.59 H new ATOM 0 HA GLN A 41 -0.139 -11.469 0.488 1.00 0.73 H new ATOM 0 HB2 GLN A 41 0.468 -11.960 2.872 1.00 0.99 H new ATOM 0 HB3 GLN A 41 1.585 -12.583 1.674 1.00 0.99 H new ATOM 0 HG2 GLN A 41 3.107 -10.658 2.112 1.00 0.88 H new ATOM 0 HG3 GLN A 41 1.996 -10.071 3.334 1.00 0.88 H new ATOM 0 HE21 GLN A 41 4.821 -10.952 3.568 1.00 1.30 H new ATOM 0 HE22 GLN A 41 4.820 -12.255 4.762 1.00 1.30 H new ATOM 229 N TYR A 42 -1.613 -9.865 1.556 1.00 0.68 N ATOM 230 CA TYR A 42 -2.566 -8.953 2.169 1.00 0.69 C ATOM 231 C TYR A 42 -2.985 -9.460 3.539 1.00 0.78 C ATOM 232 O TYR A 42 -2.795 -10.632 3.865 1.00 1.25 O ATOM 233 CB TYR A 42 -3.820 -8.828 1.301 1.00 0.78 C ATOM 234 CG TYR A 42 -3.863 -7.628 0.383 1.00 0.68 C ATOM 235 CD1 TYR A 42 -5.083 -7.161 -0.084 1.00 0.83 C ATOM 236 CD2 TYR A 42 -2.712 -6.954 -0.007 1.00 0.57 C ATOM 237 CE1 TYR A 42 -5.164 -6.060 -0.910 1.00 0.80 C ATOM 238 CE2 TYR A 42 -2.785 -5.848 -0.838 1.00 0.56 C ATOM 239 CZ TYR A 42 -4.013 -5.406 -1.285 1.00 0.63 C ATOM 240 OH TYR A 42 -4.085 -4.307 -2.110 1.00 0.71 O ATOM 0 H TYR A 42 -2.045 -10.626 1.032 1.00 0.68 H new ATOM 0 HA TYR A 42 -2.080 -7.982 2.265 1.00 0.69 H new ATOM 0 HB2 TYR A 42 -3.912 -9.730 0.695 1.00 0.78 H new ATOM 0 HB3 TYR A 42 -4.691 -8.793 1.955 1.00 0.78 H new ATOM 0 HD1 TYR A 42 -5.990 -7.671 0.206 1.00 0.83 H new ATOM 0 HD2 TYR A 42 -1.749 -7.297 0.342 1.00 0.57 H new ATOM 0 HE1 TYR A 42 -6.125 -5.713 -1.260 1.00 0.80 H new ATOM 0 HE2 TYR A 42 -1.883 -5.333 -1.135 1.00 0.56 H new ATOM 0 HH TYR A 42 -3.213 -3.860 -2.136 1.00 0.71 H new ATOM 250 N ASN A 43 -3.545 -8.571 4.335 1.00 0.89 N ATOM 251 CA ASN A 43 -4.239 -8.969 5.545 1.00 0.95 C ATOM 252 C ASN A 43 -5.731 -9.010 5.256 1.00 1.08 C ATOM 253 O ASN A 43 -6.191 -8.416 4.279 1.00 1.63 O ATOM 254 CB ASN A 43 -3.941 -8.010 6.706 1.00 0.96 C ATOM 255 CG ASN A 43 -2.670 -8.369 7.455 1.00 1.38 C ATOM 256 OD1 ASN A 43 -1.756 -8.984 6.901 1.00 2.13 O ATOM 257 ND2 ASN A 43 -2.601 -7.987 8.723 1.00 1.66 N ATOM 0 H ASN A 43 -3.533 -7.565 4.166 1.00 0.89 H new ATOM 0 HA ASN A 43 -3.890 -9.956 5.848 1.00 0.95 H new ATOM 0 HB2 ASN A 43 -3.855 -6.995 6.319 1.00 0.96 H new ATOM 0 HB3 ASN A 43 -4.781 -8.016 7.401 1.00 0.96 H new ATOM 0 HD21 ASN A 43 -1.771 -8.200 9.275 1.00 1.66 H new ATOM 0 HD22 ASN A 43 -3.378 -7.480 9.146 1.00 1.66 H new ATOM 264 N ALA A 44 -6.488 -9.700 6.098 1.00 1.12 N ATOM 265 CA ALA A 44 -7.924 -9.853 5.877 1.00 1.23 C ATOM 266 C ALA A 44 -8.655 -8.519 6.018 1.00 1.22 C ATOM 267 O ALA A 44 -9.816 -8.393 5.631 1.00 1.39 O ATOM 268 CB ALA A 44 -8.500 -10.887 6.831 1.00 1.48 C ATOM 0 H ALA A 44 -6.136 -10.161 6.937 1.00 1.12 H new ATOM 0 HA ALA A 44 -8.071 -10.202 4.855 1.00 1.23 H new ATOM 0 HB1 ALA A 44 -9.571 -10.989 6.654 1.00 1.48 H new ATOM 0 HB2 ALA A 44 -8.011 -11.847 6.665 1.00 1.48 H new ATOM 0 HB3 ALA A 44 -8.332 -10.567 7.859 1.00 1.48 H new ATOM 274 N ALA A 45 -7.956 -7.521 6.553 1.00 1.21 N ATOM 275 CA ALA A 45 -8.515 -6.186 6.727 1.00 1.34 C ATOM 276 C ALA A 45 -8.854 -5.549 5.386 1.00 1.26 C ATOM 277 O ALA A 45 -9.831 -4.805 5.270 1.00 1.38 O ATOM 278 CB ALA A 45 -7.542 -5.308 7.495 1.00 1.52 C ATOM 0 H ALA A 45 -6.993 -7.615 6.876 1.00 1.21 H new ATOM 0 HA ALA A 45 -9.439 -6.279 7.297 1.00 1.34 H new ATOM 0 HB1 ALA A 45 -7.970 -4.313 7.619 1.00 1.52 H new ATOM 0 HB2 ALA A 45 -7.352 -5.746 8.475 1.00 1.52 H new ATOM 0 HB3 ALA A 45 -6.605 -5.234 6.943 1.00 1.52 H new ATOM 284 N GLU A 46 -8.064 -5.862 4.363 1.00 1.18 N ATOM 285 CA GLU A 46 -8.290 -5.304 3.039 1.00 1.23 C ATOM 286 C GLU A 46 -9.574 -5.873 2.449 1.00 1.20 C ATOM 287 O GLU A 46 -10.173 -5.294 1.544 1.00 1.42 O ATOM 288 CB GLU A 46 -7.112 -5.603 2.111 1.00 1.27 C ATOM 289 CG GLU A 46 -5.751 -5.248 2.693 1.00 1.10 C ATOM 290 CD GLU A 46 -5.658 -3.811 3.165 1.00 1.31 C ATOM 291 OE1 GLU A 46 -5.847 -3.564 4.374 1.00 2.12 O ATOM 292 OE2 GLU A 46 -5.334 -2.743 2.232 1.00 1.31 O ATOM 0 H GLU A 46 -7.267 -6.495 4.427 1.00 1.18 H new ATOM 0 HA GLU A 46 -8.384 -4.222 3.134 1.00 1.23 H new ATOM 0 HB2 GLU A 46 -7.122 -6.664 1.861 1.00 1.27 H new ATOM 0 HB3 GLU A 46 -7.250 -5.054 1.179 1.00 1.27 H new ATOM 0 HG2 GLU A 46 -5.537 -5.913 3.530 1.00 1.10 H new ATOM 0 HG3 GLU A 46 -4.984 -5.426 1.940 1.00 1.10 H new ATOM 300 N GLY A 47 -9.987 -7.020 2.972 1.00 1.08 N ATOM 301 CA GLY A 47 -11.242 -7.622 2.571 1.00 1.18 C ATOM 302 C GLY A 47 -12.431 -6.814 3.048 1.00 1.25 C ATOM 303 O GLY A 47 -13.474 -6.785 2.397 1.00 1.42 O ATOM 0 H GLY A 47 -9.469 -7.548 3.674 1.00 1.08 H new ATOM 0 HA2 GLY A 47 -11.273 -7.708 1.485 1.00 1.18 H new ATOM 0 HA3 GLY A 47 -11.305 -8.633 2.973 1.00 1.18 H new ATOM 307 N ASP A 48 -12.270 -6.142 4.181 1.00 1.26 N ATOM 308 CA ASP A 48 -13.330 -5.295 4.722 1.00 1.49 C ATOM 309 C ASP A 48 -13.364 -3.964 3.989 1.00 1.53 C ATOM 310 O ASP A 48 -14.423 -3.365 3.815 1.00 1.74 O ATOM 311 CB ASP A 48 -13.136 -5.048 6.223 1.00 1.72 C ATOM 312 CG ASP A 48 -13.303 -6.302 7.058 1.00 2.01 C ATOM 313 OD1 ASP A 48 -14.361 -6.959 6.950 1.00 2.28 O ATOM 314 OD2 ASP A 48 -12.392 -6.625 7.846 1.00 2.35 O ATOM 0 H ASP A 48 -11.419 -6.166 4.743 1.00 1.26 H new ATOM 0 HA ASP A 48 -14.276 -5.816 4.578 1.00 1.49 H new ATOM 0 HB2 ASP A 48 -12.141 -4.636 6.392 1.00 1.72 H new ATOM 0 HB3 ASP A 48 -13.853 -4.298 6.557 1.00 1.72 H new ATOM 319 N ILE A 49 -12.195 -3.508 3.560 1.00 1.50 N ATOM 320 CA ILE A 49 -12.087 -2.245 2.844 1.00 1.74 C ATOM 321 C ILE A 49 -12.595 -2.384 1.408 1.00 1.73 C ATOM 322 O ILE A 49 -13.591 -1.768 1.031 1.00 2.08 O ATOM 323 CB ILE A 49 -10.834 -1.805 2.827 1.00 1.98 C ATOM 324 CG1 ILE A 49 -10.280 -1.659 4.241 1.00 2.10 C ATOM 325 CG2 ILE A 49 -10.725 -0.480 2.073 1.00 2.43 C ATOM 326 CD1 ILE A 49 -11.081 -0.727 5.131 1.00 2.59 C ATOM 0 H ILE A 49 -11.309 -3.994 3.695 1.00 1.50 H new ATOM 0 HA ILE A 49 -12.706 -1.522 3.374 1.00 1.74 H new ATOM 0 HB ILE A 49 -10.235 -2.548 2.301 1.00 1.98 H new ATOM 0 HG12 ILE A 49 -10.241 -2.644 4.707 1.00 2.10 H new ATOM 0 HG13 ILE A 49 -9.255 -1.294 4.181 1.00 2.10 H new ATOM 0 HG21 ILE A 49 -9.688 -0.144 2.076 1.00 2.43 H new ATOM 0 HG22 ILE A 49 -11.059 -0.618 1.045 1.00 2.43 H new ATOM 0 HG23 ILE A 49 -11.350 0.268 2.560 1.00 2.43 H new ATOM 0 HD11 ILE A 49 -10.620 -0.680 6.117 1.00 2.59 H new ATOM 0 HD12 ILE A 49 -11.099 0.270 4.691 1.00 2.59 H new ATOM 0 HD13 ILE A 49 -12.101 -1.101 5.225 1.00 2.59 H new ATOM 338 N THR A 50 -11.913 -3.199 0.615 1.00 1.71 N ATOM 339 CA THR A 50 -12.268 -3.370 -0.785 1.00 1.95 C ATOM 340 C THR A 50 -12.775 -4.791 -1.056 1.00 1.90 C ATOM 341 O THR A 50 -13.756 -4.984 -1.775 1.00 2.37 O ATOM 342 CB THR A 50 -11.242 -3.072 -1.582 1.00 2.44 C ATOM 343 OG1 THR A 50 -11.569 -3.372 -2.949 1.00 3.41 O ATOM 344 CG2 THR A 50 -9.956 -3.792 -1.194 1.00 2.45 C ATOM 0 H THR A 50 -11.111 -3.752 0.918 1.00 1.71 H new ATOM 0 HA THR A 50 -13.078 -2.675 -1.008 1.00 1.95 H new ATOM 0 HB THR A 50 -11.061 -2.004 -1.466 1.00 2.44 H new ATOM 0 HG1 THR A 50 -12.243 -2.737 -3.271 1.00 3.41 H new ATOM 0 HG21 THR A 50 -9.158 -3.508 -1.880 1.00 2.45 H new ATOM 0 HG22 THR A 50 -9.676 -3.515 -0.178 1.00 2.45 H new ATOM 0 HG23 THR A 50 -10.112 -4.869 -1.246 1.00 2.45 H new ATOM 352 N GLY A 51 -12.156 -5.774 -0.417 1.00 1.87 N ATOM 353 CA GLY A 51 -12.569 -7.148 -0.609 1.00 2.32 C ATOM 354 C GLY A 51 -11.654 -7.893 -1.551 1.00 1.77 C ATOM 355 O GLY A 51 -12.106 -8.473 -2.537 1.00 2.08 O ATOM 0 H GLY A 51 -11.377 -5.644 0.229 1.00 1.87 H new ATOM 0 HA2 GLY A 51 -12.589 -7.658 0.354 1.00 2.32 H new ATOM 0 HA3 GLY A 51 -13.586 -7.168 -1.001 1.00 2.32 H new ATOM 359 N ARG A 52 -10.362 -7.870 -1.258 1.00 1.46 N ATOM 360 CA ARG A 52 -9.381 -8.561 -2.082 1.00 1.09 C ATOM 361 C ARG A 52 -8.667 -9.616 -1.249 1.00 1.03 C ATOM 362 O ARG A 52 -8.140 -9.313 -0.176 1.00 1.29 O ATOM 363 CB ARG A 52 -8.369 -7.566 -2.666 1.00 1.22 C ATOM 364 CG ARG A 52 -9.015 -6.336 -3.289 1.00 1.55 C ATOM 365 CD ARG A 52 -9.981 -6.703 -4.404 1.00 1.67 C ATOM 366 NE ARG A 52 -11.001 -5.674 -4.604 1.00 1.96 N ATOM 367 CZ ARG A 52 -12.120 -5.863 -5.302 1.00 2.47 C ATOM 368 NH1 ARG A 52 -12.333 -7.011 -5.934 1.00 2.72 N ATOM 369 NH2 ARG A 52 -13.019 -4.895 -5.388 1.00 3.14 N ATOM 0 H ARG A 52 -9.968 -7.380 -0.455 1.00 1.46 H new ATOM 0 HA ARG A 52 -9.895 -9.047 -2.911 1.00 1.09 H new ATOM 0 HB2 ARG A 52 -7.688 -7.248 -1.877 1.00 1.22 H new ATOM 0 HB3 ARG A 52 -7.768 -8.073 -3.421 1.00 1.22 H new ATOM 0 HG2 ARG A 52 -9.546 -5.776 -2.519 1.00 1.55 H new ATOM 0 HG3 ARG A 52 -8.239 -5.679 -3.683 1.00 1.55 H new ATOM 0 HD2 ARG A 52 -9.426 -6.849 -5.331 1.00 1.67 H new ATOM 0 HD3 ARG A 52 -10.464 -7.651 -4.168 1.00 1.67 H new ATOM 0 HE ARG A 52 -10.846 -4.757 -4.184 1.00 1.96 H new ATOM 0 HH11 ARG A 52 -11.638 -7.756 -5.887 1.00 2.72 H new ATOM 0 HH12 ARG A 52 -13.192 -7.148 -6.466 1.00 2.72 H new ATOM 0 HH21 ARG A 52 -12.855 -4.004 -4.920 1.00 3.14 H new ATOM 0 HH22 ARG A 52 -13.875 -5.040 -5.923 1.00 3.14 H new ATOM 383 N ASP A 53 -8.675 -10.854 -1.725 1.00 0.94 N ATOM 384 CA ASP A 53 -8.051 -11.954 -0.998 1.00 1.00 C ATOM 385 C ASP A 53 -6.541 -11.763 -0.920 1.00 0.89 C ATOM 386 O ASP A 53 -5.907 -11.370 -1.903 1.00 0.82 O ATOM 387 CB ASP A 53 -8.365 -13.298 -1.661 1.00 1.18 C ATOM 388 CG ASP A 53 -7.825 -14.471 -0.866 1.00 1.55 C ATOM 389 OD1 ASP A 53 -8.556 -15.000 0.000 1.00 1.90 O ATOM 390 OD2 ASP A 53 -6.669 -14.879 -1.108 1.00 2.10 O ATOM 0 H ASP A 53 -9.106 -11.123 -2.610 1.00 0.94 H new ATOM 0 HA ASP A 53 -8.462 -11.956 0.012 1.00 1.00 H new ATOM 0 HB2 ASP A 53 -9.444 -13.403 -1.772 1.00 1.18 H new ATOM 0 HB3 ASP A 53 -7.939 -13.314 -2.664 1.00 1.18 H new ATOM 395 N PRO A 54 -5.954 -12.035 0.257 1.00 1.02 N ATOM 396 CA PRO A 54 -4.511 -11.911 0.499 1.00 1.10 C ATOM 397 C PRO A 54 -3.637 -12.593 -0.555 1.00 1.03 C ATOM 398 O PRO A 54 -2.486 -12.203 -0.754 1.00 1.68 O ATOM 399 CB PRO A 54 -4.326 -12.593 1.854 1.00 1.35 C ATOM 400 CG PRO A 54 -5.625 -12.399 2.549 1.00 1.43 C ATOM 401 CD PRO A 54 -6.675 -12.458 1.477 1.00 1.25 C ATOM 0 HA PRO A 54 -4.201 -10.867 0.464 1.00 1.10 H new ATOM 0 HB2 PRO A 54 -4.093 -13.651 1.737 1.00 1.35 H new ATOM 0 HB3 PRO A 54 -3.505 -12.146 2.415 1.00 1.35 H new ATOM 0 HG2 PRO A 54 -5.787 -13.174 3.298 1.00 1.43 H new ATOM 0 HG3 PRO A 54 -5.651 -11.442 3.070 1.00 1.43 H new ATOM 0 HD2 PRO A 54 -7.084 -13.463 1.372 1.00 1.25 H new ATOM 0 HD3 PRO A 54 -7.511 -11.795 1.698 1.00 1.25 H new ATOM 409 N LYS A 55 -4.177 -13.601 -1.226 1.00 0.89 N ATOM 410 CA LYS A 55 -3.402 -14.372 -2.188 1.00 0.96 C ATOM 411 C LYS A 55 -3.713 -13.955 -3.623 1.00 0.82 C ATOM 412 O LYS A 55 -3.114 -14.470 -4.565 1.00 0.92 O ATOM 413 CB LYS A 55 -3.689 -15.862 -2.000 1.00 1.26 C ATOM 414 CG LYS A 55 -3.384 -16.358 -0.597 1.00 1.53 C ATOM 415 CD LYS A 55 -3.801 -17.808 -0.405 1.00 2.06 C ATOM 416 CE LYS A 55 -5.302 -17.990 -0.578 1.00 2.89 C ATOM 417 NZ LYS A 55 -6.084 -17.088 0.310 1.00 3.61 N ATOM 0 H LYS A 55 -5.146 -13.903 -1.122 1.00 0.89 H new ATOM 0 HA LYS A 55 -2.345 -14.175 -2.009 1.00 0.96 H new ATOM 0 HB2 LYS A 55 -4.738 -16.055 -2.227 1.00 1.26 H new ATOM 0 HB3 LYS A 55 -3.098 -16.432 -2.717 1.00 1.26 H new ATOM 0 HG2 LYS A 55 -2.316 -16.258 -0.401 1.00 1.53 H new ATOM 0 HG3 LYS A 55 -3.902 -15.732 0.130 1.00 1.53 H new ATOM 0 HD2 LYS A 55 -3.273 -18.436 -1.122 1.00 2.06 H new ATOM 0 HD3 LYS A 55 -3.506 -18.143 0.590 1.00 2.06 H new ATOM 0 HE2 LYS A 55 -5.572 -17.798 -1.616 1.00 2.89 H new ATOM 0 HE3 LYS A 55 -5.567 -19.026 -0.366 1.00 2.89 H new ATOM 0 HZ1 LYS A 55 -7.021 -17.502 0.487 1.00 3.61 H new ATOM 0 HZ2 LYS A 55 -5.582 -16.969 1.213 1.00 3.61 H new ATOM 0 HZ3 LYS A 55 -6.196 -16.161 -0.149 1.00 3.61 H new ATOM 431 N GLN A 56 -4.639 -13.020 -3.796 1.00 0.72 N ATOM 432 CA GLN A 56 -5.051 -12.602 -5.135 1.00 0.73 C ATOM 433 C GLN A 56 -4.320 -11.337 -5.569 1.00 0.63 C ATOM 434 O GLN A 56 -4.528 -10.844 -6.673 1.00 0.79 O ATOM 435 CB GLN A 56 -6.561 -12.358 -5.193 1.00 0.87 C ATOM 436 CG GLN A 56 -7.406 -13.572 -4.851 1.00 1.32 C ATOM 437 CD GLN A 56 -7.073 -14.787 -5.694 1.00 1.92 C ATOM 438 OE1 GLN A 56 -7.624 -14.981 -6.776 1.00 2.50 O ATOM 439 NE2 GLN A 56 -6.184 -15.625 -5.194 1.00 2.41 N ATOM 0 H GLN A 56 -5.117 -12.539 -3.034 1.00 0.72 H new ATOM 0 HA GLN A 56 -4.792 -13.411 -5.818 1.00 0.73 H new ATOM 0 HB2 GLN A 56 -6.813 -11.550 -4.506 1.00 0.87 H new ATOM 0 HB3 GLN A 56 -6.824 -12.018 -6.195 1.00 0.87 H new ATOM 0 HG2 GLN A 56 -7.267 -13.819 -3.798 1.00 1.32 H new ATOM 0 HG3 GLN A 56 -8.459 -13.323 -4.984 1.00 1.32 H new ATOM 0 HE21 GLN A 56 -5.749 -15.429 -4.293 1.00 2.41 H new ATOM 0 HE22 GLN A 56 -5.932 -16.469 -5.709 1.00 2.41 H new ATOM 448 N VAL A 57 -3.469 -10.811 -4.703 1.00 0.52 N ATOM 449 CA VAL A 57 -2.749 -9.576 -5.010 1.00 0.48 C ATOM 450 C VAL A 57 -1.304 -9.831 -5.411 1.00 0.55 C ATOM 451 O VAL A 57 -0.483 -8.921 -5.406 1.00 0.97 O ATOM 452 CB VAL A 57 -2.764 -8.722 -4.001 1.00 0.52 C ATOM 453 CG1 VAL A 57 -4.136 -8.073 -3.879 1.00 0.62 C ATOM 454 CG2 VAL A 57 -2.373 -9.403 -2.695 1.00 0.58 C ATOM 0 H VAL A 57 -3.258 -11.212 -3.789 1.00 0.52 H new ATOM 0 HA VAL A 57 -3.281 -9.140 -5.856 1.00 0.48 H new ATOM 0 HB VAL A 57 -2.026 -7.945 -4.204 1.00 0.52 H new ATOM 0 HG11 VAL A 57 -4.134 -7.372 -3.044 1.00 0.62 H new ATOM 0 HG12 VAL A 57 -4.369 -7.539 -4.800 1.00 0.62 H new ATOM 0 HG13 VAL A 57 -4.888 -8.842 -3.705 1.00 0.62 H new ATOM 0 HG21 VAL A 57 -2.395 -8.675 -1.884 1.00 0.58 H new ATOM 0 HG22 VAL A 57 -3.076 -10.207 -2.479 1.00 0.58 H new ATOM 0 HG23 VAL A 57 -1.368 -9.815 -2.786 1.00 0.58 H new ATOM 464 N ILE A 58 -0.993 -11.059 -5.771 1.00 0.51 N ATOM 465 CA ILE A 58 0.376 -11.411 -6.106 1.00 0.57 C ATOM 466 C ILE A 58 0.638 -11.119 -7.574 1.00 0.57 C ATOM 467 O ILE A 58 -0.121 -11.550 -8.445 1.00 0.66 O ATOM 468 CB ILE A 58 0.639 -12.685 -5.841 1.00 0.70 C ATOM 469 CG1 ILE A 58 0.264 -13.021 -4.393 1.00 0.93 C ATOM 470 CG2 ILE A 58 2.113 -12.997 -6.098 1.00 1.09 C ATOM 471 CD1 ILE A 58 0.469 -14.476 -4.029 1.00 1.01 C ATOM 0 H ILE A 58 -1.662 -11.826 -5.840 1.00 0.51 H new ATOM 0 HA ILE A 58 1.037 -10.804 -5.487 1.00 0.57 H new ATOM 0 HB ILE A 58 0.037 -13.304 -6.506 1.00 0.70 H new ATOM 0 HG12 ILE A 58 0.858 -12.401 -3.721 1.00 0.93 H new ATOM 0 HG13 ILE A 58 -0.781 -12.759 -4.228 1.00 0.93 H new ATOM 0 HG21 ILE A 58 2.307 -14.046 -5.875 1.00 1.09 H new ATOM 0 HG22 ILE A 58 2.350 -12.799 -7.143 1.00 1.09 H new ATOM 0 HG23 ILE A 58 2.734 -12.369 -5.460 1.00 1.09 H new ATOM 0 HD11 ILE A 58 0.182 -14.635 -2.990 1.00 1.01 H new ATOM 0 HD12 ILE A 58 -0.146 -15.103 -4.675 1.00 1.01 H new ATOM 0 HD13 ILE A 58 1.519 -14.739 -4.160 1.00 1.01 H new ATOM 483 N GLY A 59 1.678 -10.338 -7.849 1.00 0.59 N ATOM 484 CA GLY A 59 1.920 -9.907 -9.205 1.00 0.66 C ATOM 485 C GLY A 59 1.072 -8.712 -9.546 1.00 0.56 C ATOM 486 O GLY A 59 1.097 -8.209 -10.668 1.00 0.65 O ATOM 0 H GLY A 59 2.350 -10.000 -7.160 1.00 0.59 H new ATOM 0 HA2 GLY A 59 2.974 -9.658 -9.329 1.00 0.66 H new ATOM 0 HA3 GLY A 59 1.702 -10.722 -9.895 1.00 0.66 H new ATOM 490 N LYS A 60 0.309 -8.264 -8.565 1.00 0.48 N ATOM 491 CA LYS A 60 -0.610 -7.176 -8.757 1.00 0.45 C ATOM 492 C LYS A 60 0.040 -5.867 -8.361 1.00 0.38 C ATOM 493 O LYS A 60 0.430 -5.681 -7.211 1.00 0.43 O ATOM 494 CB LYS A 60 -1.875 -7.417 -7.946 1.00 0.49 C ATOM 495 CG LYS A 60 -2.992 -8.083 -8.731 1.00 0.80 C ATOM 496 CD LYS A 60 -2.748 -9.570 -8.907 1.00 1.12 C ATOM 497 CE LYS A 60 -3.844 -10.219 -9.731 1.00 1.27 C ATOM 498 NZ LYS A 60 -3.616 -10.059 -11.190 1.00 1.82 N ATOM 0 H LYS A 60 0.315 -8.648 -7.620 1.00 0.48 H new ATOM 0 HA LYS A 60 -0.880 -7.118 -9.811 1.00 0.45 H new ATOM 0 HB2 LYS A 60 -1.630 -8.038 -7.084 1.00 0.49 H new ATOM 0 HB3 LYS A 60 -2.234 -6.463 -7.560 1.00 0.49 H new ATOM 0 HG2 LYS A 60 -3.940 -7.929 -8.216 1.00 0.80 H new ATOM 0 HG3 LYS A 60 -3.080 -7.611 -9.709 1.00 0.80 H new ATOM 0 HD2 LYS A 60 -1.785 -9.727 -9.393 1.00 1.12 H new ATOM 0 HD3 LYS A 60 -2.694 -10.049 -7.929 1.00 1.12 H new ATOM 0 HE2 LYS A 60 -3.900 -11.280 -9.488 1.00 1.27 H new ATOM 0 HE3 LYS A 60 -4.805 -9.780 -9.465 1.00 1.27 H new ATOM 0 HZ1 LYS A 60 -4.388 -10.517 -11.714 1.00 1.82 H new ATOM 0 HZ2 LYS A 60 -3.589 -9.047 -11.428 1.00 1.82 H new ATOM 0 HZ3 LYS A 60 -2.711 -10.501 -11.450 1.00 1.82 H new ATOM 512 N ASN A 61 0.168 -4.973 -9.322 1.00 0.43 N ATOM 513 CA ASN A 61 0.788 -3.682 -9.076 1.00 0.42 C ATOM 514 C ASN A 61 -0.215 -2.739 -8.417 1.00 0.39 C ATOM 515 O ASN A 61 -1.118 -2.215 -9.075 1.00 0.42 O ATOM 516 CB ASN A 61 1.322 -3.090 -10.385 1.00 0.52 C ATOM 517 CG ASN A 61 2.285 -1.938 -10.164 1.00 0.58 C ATOM 518 OD1 ASN A 61 2.149 -1.164 -9.220 1.00 0.72 O ATOM 519 ND2 ASN A 61 3.276 -1.829 -11.031 1.00 0.71 N ATOM 0 H ASN A 61 -0.149 -5.115 -10.281 1.00 0.43 H new ATOM 0 HA ASN A 61 1.631 -3.815 -8.398 1.00 0.42 H new ATOM 0 HB2 ASN A 61 1.824 -3.873 -10.953 1.00 0.52 H new ATOM 0 HB3 ASN A 61 0.484 -2.745 -10.990 1.00 0.52 H new ATOM 0 HD21 ASN A 61 3.963 -1.082 -10.929 1.00 0.71 H new ATOM 0 HD22 ASN A 61 3.354 -2.492 -11.802 1.00 0.71 H new ATOM 526 N PHE A 62 -0.059 -2.554 -7.109 1.00 0.38 N ATOM 527 CA PHE A 62 -0.941 -1.696 -6.313 1.00 0.40 C ATOM 528 C PHE A 62 -0.891 -0.232 -6.770 1.00 0.47 C ATOM 529 O PHE A 62 -1.735 0.576 -6.392 1.00 0.70 O ATOM 530 CB PHE A 62 -0.546 -1.801 -4.834 1.00 0.43 C ATOM 531 CG PHE A 62 -1.471 -1.081 -3.893 1.00 0.45 C ATOM 532 CD1 PHE A 62 -1.066 0.082 -3.259 1.00 0.51 C ATOM 533 CD2 PHE A 62 -2.747 -1.563 -3.651 1.00 0.51 C ATOM 534 CE1 PHE A 62 -1.913 0.750 -2.398 1.00 0.55 C ATOM 535 CE2 PHE A 62 -3.601 -0.899 -2.790 1.00 0.56 C ATOM 536 CZ PHE A 62 -3.180 0.243 -2.148 1.00 0.53 C ATOM 0 H PHE A 62 0.684 -2.995 -6.567 1.00 0.38 H new ATOM 0 HA PHE A 62 -1.965 -2.041 -6.454 1.00 0.40 H new ATOM 0 HB2 PHE A 62 -0.509 -2.854 -4.554 1.00 0.43 H new ATOM 0 HB3 PHE A 62 0.461 -1.403 -4.710 1.00 0.43 H new ATOM 0 HD1 PHE A 62 -0.075 0.471 -3.441 1.00 0.51 H new ATOM 0 HD2 PHE A 62 -3.078 -2.467 -4.140 1.00 0.51 H new ATOM 0 HE1 PHE A 62 -1.591 1.664 -1.921 1.00 0.55 H new ATOM 0 HE2 PHE A 62 -4.599 -1.277 -2.621 1.00 0.56 H new ATOM 0 HZ PHE A 62 -3.835 0.744 -1.450 1.00 0.53 H new ATOM 546 N PHE A 63 0.090 0.114 -7.583 1.00 0.46 N ATOM 547 CA PHE A 63 0.227 1.488 -8.046 1.00 0.55 C ATOM 548 C PHE A 63 -0.222 1.635 -9.495 1.00 0.66 C ATOM 549 O PHE A 63 -0.004 2.676 -10.118 1.00 0.91 O ATOM 550 CB PHE A 63 1.678 1.948 -7.920 1.00 0.57 C ATOM 551 CG PHE A 63 2.234 1.839 -6.531 1.00 0.57 C ATOM 552 CD1 PHE A 63 3.095 0.810 -6.192 1.00 0.82 C ATOM 553 CD2 PHE A 63 1.884 2.761 -5.560 1.00 0.77 C ATOM 554 CE1 PHE A 63 3.596 0.702 -4.909 1.00 1.10 C ATOM 555 CE2 PHE A 63 2.382 2.659 -4.276 1.00 1.04 C ATOM 556 CZ PHE A 63 3.287 1.649 -3.968 1.00 1.16 C ATOM 0 H PHE A 63 0.799 -0.529 -7.935 1.00 0.46 H new ATOM 0 HA PHE A 63 -0.412 2.110 -7.419 1.00 0.55 H new ATOM 0 HB2 PHE A 63 2.296 1.356 -8.595 1.00 0.57 H new ATOM 0 HB3 PHE A 63 1.750 2.985 -8.249 1.00 0.57 H new ATOM 0 HD1 PHE A 63 3.379 0.083 -6.939 1.00 0.82 H new ATOM 0 HD2 PHE A 63 1.213 3.570 -5.809 1.00 0.77 H new ATOM 0 HE1 PHE A 63 4.232 -0.130 -4.647 1.00 1.10 H new ATOM 0 HE2 PHE A 63 2.070 3.360 -3.515 1.00 1.04 H new ATOM 0 HZ PHE A 63 3.745 1.611 -2.991 1.00 1.16 H new ATOM 566 N LYS A 64 -0.868 0.614 -10.033 1.00 0.57 N ATOM 567 CA LYS A 64 -1.192 0.610 -11.448 1.00 0.72 C ATOM 568 C LYS A 64 -2.475 -0.161 -11.725 1.00 0.72 C ATOM 569 O LYS A 64 -3.424 0.382 -12.290 1.00 0.90 O ATOM 570 CB LYS A 64 -0.016 0.011 -12.234 1.00 0.82 C ATOM 571 CG LYS A 64 -0.100 0.169 -13.750 1.00 1.56 C ATOM 572 CD LYS A 64 -1.082 -0.806 -14.381 1.00 2.11 C ATOM 573 CE LYS A 64 -1.131 -0.647 -15.888 1.00 2.85 C ATOM 574 NZ LYS A 64 -2.185 -1.499 -16.501 1.00 3.58 N ATOM 0 H LYS A 64 -1.175 -0.212 -9.519 1.00 0.57 H new ATOM 0 HA LYS A 64 -1.360 1.637 -11.771 1.00 0.72 H new ATOM 0 HB2 LYS A 64 0.907 0.476 -11.887 1.00 0.82 H new ATOM 0 HB3 LYS A 64 0.054 -1.051 -11.999 1.00 0.82 H new ATOM 0 HG2 LYS A 64 -0.400 1.189 -13.990 1.00 1.56 H new ATOM 0 HG3 LYS A 64 0.888 0.017 -14.184 1.00 1.56 H new ATOM 0 HD2 LYS A 64 -0.794 -1.827 -14.131 1.00 2.11 H new ATOM 0 HD3 LYS A 64 -2.076 -0.644 -13.964 1.00 2.11 H new ATOM 0 HE2 LYS A 64 -1.318 0.398 -16.137 1.00 2.85 H new ATOM 0 HE3 LYS A 64 -0.161 -0.907 -16.312 1.00 2.85 H new ATOM 0 HZ1 LYS A 64 -2.186 -1.362 -17.532 1.00 3.58 H new ATOM 0 HZ2 LYS A 64 -1.993 -2.498 -16.285 1.00 3.58 H new ATOM 0 HZ3 LYS A 64 -3.114 -1.234 -16.115 1.00 3.58 H new ATOM 588 N ASP A 65 -2.511 -1.417 -11.311 1.00 0.60 N ATOM 589 CA ASP A 65 -3.553 -2.328 -11.754 1.00 0.69 C ATOM 590 C ASP A 65 -4.755 -2.286 -10.827 1.00 0.74 C ATOM 591 O ASP A 65 -5.767 -1.660 -11.140 1.00 1.10 O ATOM 592 CB ASP A 65 -3.010 -3.751 -11.862 1.00 0.79 C ATOM 593 CG ASP A 65 -4.005 -4.694 -12.503 1.00 1.38 C ATOM 594 OD1 ASP A 65 -4.311 -4.512 -13.700 1.00 1.50 O ATOM 595 OD2 ASP A 65 -4.470 -5.625 -11.822 1.00 2.20 O ATOM 0 H ASP A 65 -1.832 -1.828 -10.670 1.00 0.60 H new ATOM 0 HA ASP A 65 -3.882 -2.004 -12.741 1.00 0.69 H new ATOM 0 HB2 ASP A 65 -2.090 -3.744 -12.446 1.00 0.79 H new ATOM 0 HB3 ASP A 65 -2.753 -4.117 -10.868 1.00 0.79 H new ATOM 600 N VAL A 66 -4.638 -2.943 -9.683 1.00 0.70 N ATOM 601 CA VAL A 66 -5.735 -3.037 -8.738 1.00 0.82 C ATOM 602 C VAL A 66 -5.902 -1.765 -7.910 1.00 0.70 C ATOM 603 O VAL A 66 -6.566 -1.772 -6.875 1.00 0.80 O ATOM 604 CB VAL A 66 -5.586 -4.058 -7.921 1.00 1.05 C ATOM 605 CG1 VAL A 66 -5.852 -5.373 -8.642 1.00 1.45 C ATOM 606 CG2 VAL A 66 -4.208 -4.073 -7.264 1.00 1.77 C ATOM 0 H VAL A 66 -3.787 -3.421 -9.387 1.00 0.70 H new ATOM 0 HA VAL A 66 -6.631 -3.181 -9.342 1.00 0.82 H new ATOM 0 HB VAL A 66 -6.322 -3.941 -7.126 1.00 1.05 H new ATOM 0 HG11 VAL A 66 -5.723 -6.202 -7.946 1.00 1.45 H new ATOM 0 HG12 VAL A 66 -6.872 -5.377 -9.026 1.00 1.45 H new ATOM 0 HG13 VAL A 66 -5.152 -5.482 -9.470 1.00 1.45 H new ATOM 0 HG21 VAL A 66 -4.131 -4.933 -6.599 1.00 1.77 H new ATOM 0 HG22 VAL A 66 -3.439 -4.140 -8.033 1.00 1.77 H new ATOM 0 HG23 VAL A 66 -4.069 -3.157 -6.690 1.00 1.77 H new ATOM 616 N ALA A 67 -5.288 -0.687 -8.377 1.00 0.56 N ATOM 617 CA ALA A 67 -5.356 0.608 -7.712 1.00 0.53 C ATOM 618 C ALA A 67 -4.616 1.662 -8.528 1.00 0.49 C ATOM 619 O ALA A 67 -3.395 1.748 -8.483 1.00 0.61 O ATOM 620 CB ALA A 67 -4.779 0.534 -6.304 1.00 0.60 C ATOM 0 H ALA A 67 -4.727 -0.685 -9.229 1.00 0.56 H new ATOM 0 HA ALA A 67 -6.406 0.891 -7.634 1.00 0.53 H new ATOM 0 HB1 ALA A 67 -4.843 1.515 -5.832 1.00 0.60 H new ATOM 0 HB2 ALA A 67 -5.345 -0.189 -5.716 1.00 0.60 H new ATOM 0 HB3 ALA A 67 -3.735 0.223 -6.354 1.00 0.60 H new ATOM 626 N PRO A 68 -5.347 2.437 -9.337 1.00 0.44 N ATOM 627 CA PRO A 68 -4.775 3.517 -10.127 1.00 0.47 C ATOM 628 C PRO A 68 -4.842 4.880 -9.434 1.00 0.55 C ATOM 629 O PRO A 68 -4.419 5.888 -9.997 1.00 0.81 O ATOM 630 CB PRO A 68 -5.657 3.506 -11.373 1.00 0.56 C ATOM 631 CG PRO A 68 -6.998 3.034 -10.897 1.00 0.69 C ATOM 632 CD PRO A 68 -6.781 2.277 -9.605 1.00 0.47 C ATOM 0 HA PRO A 68 -3.712 3.369 -10.315 1.00 0.47 H new ATOM 0 HB2 PRO A 68 -5.723 4.499 -11.818 1.00 0.56 H new ATOM 0 HB3 PRO A 68 -5.253 2.841 -12.136 1.00 0.56 H new ATOM 0 HG2 PRO A 68 -7.668 3.879 -10.738 1.00 0.69 H new ATOM 0 HG3 PRO A 68 -7.466 2.392 -11.644 1.00 0.69 H new ATOM 0 HD2 PRO A 68 -7.386 2.686 -8.796 1.00 0.47 H new ATOM 0 HD3 PRO A 68 -7.053 1.227 -9.707 1.00 0.47 H new ATOM 640 N CYS A 69 -5.369 4.924 -8.214 1.00 0.51 N ATOM 641 CA CYS A 69 -5.461 6.188 -7.488 1.00 0.61 C ATOM 642 C CYS A 69 -4.218 6.391 -6.633 1.00 0.59 C ATOM 643 O CYS A 69 -3.963 7.504 -6.175 1.00 0.81 O ATOM 644 CB CYS A 69 -6.727 6.260 -6.618 1.00 0.85 C ATOM 645 SG CYS A 69 -6.553 5.632 -4.910 1.00 0.81 S ATOM 0 H CYS A 69 -5.734 4.114 -7.713 1.00 0.51 H new ATOM 0 HA CYS A 69 -5.527 6.989 -8.225 1.00 0.61 H new ATOM 0 HB2 CYS A 69 -7.055 7.298 -6.572 1.00 0.85 H new ATOM 0 HB3 CYS A 69 -7.518 5.697 -7.113 1.00 0.85 H new ATOM 650 N THR A 70 -3.290 5.457 -6.778 1.00 0.61 N ATOM 651 CA THR A 70 -2.173 5.331 -5.863 1.00 0.58 C ATOM 652 C THR A 70 -0.935 6.033 -6.412 1.00 0.55 C ATOM 653 O THR A 70 -0.278 6.798 -5.702 1.00 0.64 O ATOM 654 CB THR A 70 -1.906 4.061 -5.661 1.00 0.63 C ATOM 655 OG1 THR A 70 -1.936 3.368 -6.916 1.00 1.33 O ATOM 656 CG2 THR A 70 -2.900 3.434 -4.696 1.00 1.07 C ATOM 0 H THR A 70 -3.293 4.769 -7.531 1.00 0.61 H new ATOM 0 HA THR A 70 -2.448 5.804 -4.920 1.00 0.58 H new ATOM 0 HB THR A 70 -0.914 3.980 -5.216 1.00 0.63 H new ATOM 0 HG1 THR A 70 -2.779 2.875 -6.997 1.00 1.33 H new ATOM 0 HG21 THR A 70 -2.652 2.383 -4.550 1.00 1.07 H new ATOM 0 HG22 THR A 70 -2.855 3.954 -3.739 1.00 1.07 H new ATOM 0 HG23 THR A 70 -3.906 3.515 -5.107 1.00 1.07 H new ATOM 664 N ASP A 71 -0.634 5.788 -7.689 1.00 0.55 N ATOM 665 CA ASP A 71 0.489 6.447 -8.354 1.00 0.63 C ATOM 666 C ASP A 71 0.329 7.959 -8.291 1.00 0.70 C ATOM 667 O ASP A 71 -0.553 8.533 -8.930 1.00 0.88 O ATOM 668 CB ASP A 71 0.618 5.988 -9.808 1.00 0.76 C ATOM 669 CG ASP A 71 1.693 6.749 -10.562 1.00 0.96 C ATOM 670 OD1 ASP A 71 2.722 7.097 -9.946 1.00 1.85 O ATOM 671 OD2 ASP A 71 1.527 6.996 -11.775 1.00 1.34 O ATOM 0 H ASP A 71 -1.152 5.139 -8.281 1.00 0.55 H new ATOM 0 HA ASP A 71 1.402 6.166 -7.829 1.00 0.63 H new ATOM 0 HB2 ASP A 71 0.847 4.923 -9.831 1.00 0.76 H new ATOM 0 HB3 ASP A 71 -0.339 6.119 -10.314 1.00 0.76 H new ATOM 676 N SER A 72 1.197 8.580 -7.511 1.00 0.66 N ATOM 677 CA SER A 72 1.115 9.997 -7.209 1.00 0.77 C ATOM 678 C SER A 72 2.313 10.375 -6.344 1.00 0.76 C ATOM 679 O SER A 72 2.748 9.571 -5.520 1.00 0.71 O ATOM 680 CB SER A 72 -0.202 10.298 -6.472 1.00 0.88 C ATOM 681 OG SER A 72 -0.362 11.686 -6.223 1.00 1.56 O ATOM 0 H SER A 72 1.985 8.110 -7.066 1.00 0.66 H new ATOM 0 HA SER A 72 1.130 10.582 -8.129 1.00 0.77 H new ATOM 0 HB2 SER A 72 -1.041 9.936 -7.066 1.00 0.88 H new ATOM 0 HB3 SER A 72 -0.222 9.755 -5.527 1.00 0.88 H new ATOM 0 HG SER A 72 -1.210 11.839 -5.755 1.00 1.56 H new ATOM 687 N PRO A 73 2.882 11.578 -6.521 1.00 0.90 N ATOM 688 CA PRO A 73 4.039 12.031 -5.736 1.00 0.99 C ATOM 689 C PRO A 73 3.799 11.949 -4.228 1.00 0.96 C ATOM 690 O PRO A 73 4.725 11.729 -3.450 1.00 1.05 O ATOM 691 CB PRO A 73 4.217 13.488 -6.168 1.00 1.13 C ATOM 692 CG PRO A 73 3.603 13.561 -7.521 1.00 1.17 C ATOM 693 CD PRO A 73 2.458 12.586 -7.509 1.00 1.05 C ATOM 0 HA PRO A 73 4.914 11.407 -5.915 1.00 0.99 H new ATOM 0 HB2 PRO A 73 3.726 14.169 -5.473 1.00 1.13 H new ATOM 0 HB3 PRO A 73 5.270 13.766 -6.196 1.00 1.13 H new ATOM 0 HG2 PRO A 73 3.254 14.571 -7.737 1.00 1.17 H new ATOM 0 HG3 PRO A 73 4.328 13.302 -8.293 1.00 1.17 H new ATOM 0 HD2 PRO A 73 1.524 13.066 -7.218 1.00 1.05 H new ATOM 0 HD3 PRO A 73 2.296 12.143 -8.492 1.00 1.05 H new ATOM 701 N GLU A 74 2.542 12.087 -3.829 1.00 0.91 N ATOM 702 CA GLU A 74 2.175 12.081 -2.417 1.00 0.96 C ATOM 703 C GLU A 74 1.845 10.673 -1.919 1.00 0.93 C ATOM 704 O GLU A 74 1.353 10.503 -0.804 1.00 1.25 O ATOM 705 CB GLU A 74 0.993 13.022 -2.178 1.00 1.07 C ATOM 706 CG GLU A 74 -0.151 12.824 -3.158 1.00 0.90 C ATOM 707 CD GLU A 74 -1.266 13.832 -2.969 1.00 1.59 C ATOM 708 OE1 GLU A 74 -2.422 13.422 -2.731 1.00 2.56 O ATOM 709 OE2 GLU A 74 -0.990 15.047 -3.064 1.00 1.58 O ATOM 0 H GLU A 74 1.754 12.205 -4.466 1.00 0.91 H new ATOM 0 HA GLU A 74 3.036 12.433 -1.849 1.00 0.96 H new ATOM 0 HB2 GLU A 74 0.621 12.874 -1.164 1.00 1.07 H new ATOM 0 HB3 GLU A 74 1.341 14.053 -2.243 1.00 1.07 H new ATOM 0 HG2 GLU A 74 0.231 12.899 -4.176 1.00 0.90 H new ATOM 0 HG3 GLU A 74 -0.553 11.818 -3.042 1.00 0.90 H new ATOM 716 N PHE A 75 2.115 9.668 -2.743 1.00 0.80 N ATOM 717 CA PHE A 75 1.929 8.278 -2.334 1.00 0.79 C ATOM 718 C PHE A 75 3.038 7.409 -2.916 1.00 0.66 C ATOM 719 O PHE A 75 3.962 7.010 -2.208 1.00 0.66 O ATOM 720 CB PHE A 75 0.556 7.758 -2.774 1.00 0.87 C ATOM 721 CG PHE A 75 0.215 6.394 -2.233 1.00 1.53 C ATOM 722 CD1 PHE A 75 0.301 5.271 -3.036 1.00 2.26 C ATOM 723 CD2 PHE A 75 -0.197 6.239 -0.920 1.00 1.74 C ATOM 724 CE1 PHE A 75 -0.015 4.022 -2.540 1.00 3.20 C ATOM 725 CE2 PHE A 75 -0.514 4.992 -0.418 1.00 2.61 C ATOM 726 CZ PHE A 75 -0.422 3.882 -1.230 1.00 3.36 C ATOM 0 H PHE A 75 2.462 9.787 -3.695 1.00 0.80 H new ATOM 0 HA PHE A 75 1.976 8.230 -1.246 1.00 0.79 H new ATOM 0 HB2 PHE A 75 -0.209 8.466 -2.454 1.00 0.87 H new ATOM 0 HB3 PHE A 75 0.524 7.724 -3.863 1.00 0.87 H new ATOM 0 HD1 PHE A 75 0.619 5.372 -4.063 1.00 2.26 H new ATOM 0 HD2 PHE A 75 -0.271 7.105 -0.280 1.00 1.74 H new ATOM 0 HE1 PHE A 75 0.057 3.154 -3.178 1.00 3.20 H new ATOM 0 HE2 PHE A 75 -0.833 4.887 0.608 1.00 2.61 H new ATOM 0 HZ PHE A 75 -0.668 2.905 -0.841 1.00 3.36 H new ATOM 736 N TYR A 76 2.956 7.144 -4.214 1.00 0.59 N ATOM 737 CA TYR A 76 3.980 6.368 -4.906 1.00 0.50 C ATOM 738 C TYR A 76 5.304 7.123 -4.908 1.00 0.47 C ATOM 739 O TYR A 76 6.372 6.521 -4.833 1.00 0.49 O ATOM 740 CB TYR A 76 3.543 6.065 -6.340 1.00 0.51 C ATOM 741 CG TYR A 76 4.501 5.167 -7.098 1.00 0.49 C ATOM 742 CD1 TYR A 76 4.972 5.524 -8.355 1.00 0.58 C ATOM 743 CD2 TYR A 76 4.933 3.964 -6.556 1.00 0.51 C ATOM 744 CE1 TYR A 76 5.845 4.707 -9.049 1.00 0.66 C ATOM 745 CE2 TYR A 76 5.805 3.143 -7.243 1.00 0.59 C ATOM 746 CZ TYR A 76 6.255 3.517 -8.487 1.00 0.65 C ATOM 747 OH TYR A 76 7.122 2.696 -9.173 1.00 0.79 O ATOM 0 H TYR A 76 2.190 7.455 -4.811 1.00 0.59 H new ATOM 0 HA TYR A 76 4.115 5.425 -4.377 1.00 0.50 H new ATOM 0 HB2 TYR A 76 2.560 5.595 -6.318 1.00 0.51 H new ATOM 0 HB3 TYR A 76 3.435 7.004 -6.882 1.00 0.51 H new ATOM 0 HD1 TYR A 76 4.651 6.455 -8.798 1.00 0.58 H new ATOM 0 HD2 TYR A 76 4.581 3.665 -5.580 1.00 0.51 H new ATOM 0 HE1 TYR A 76 6.203 4.999 -10.025 1.00 0.66 H new ATOM 0 HE2 TYR A 76 6.132 2.211 -6.805 1.00 0.59 H new ATOM 0 HH TYR A 76 7.311 1.898 -8.636 1.00 0.79 H new ATOM 757 N GLY A 77 5.224 8.444 -4.980 1.00 0.48 N ATOM 758 CA GLY A 77 6.417 9.265 -4.918 1.00 0.50 C ATOM 759 C GLY A 77 7.125 9.136 -3.584 1.00 0.52 C ATOM 760 O GLY A 77 8.351 9.175 -3.518 1.00 0.60 O ATOM 0 H GLY A 77 4.352 8.963 -5.081 1.00 0.48 H new ATOM 0 HA2 GLY A 77 7.098 8.977 -5.719 1.00 0.50 H new ATOM 0 HA3 GLY A 77 6.149 10.308 -5.087 1.00 0.50 H new ATOM 764 N LYS A 78 6.351 8.975 -2.518 1.00 0.53 N ATOM 765 CA LYS A 78 6.919 8.787 -1.191 1.00 0.60 C ATOM 766 C LYS A 78 7.422 7.357 -1.032 1.00 0.59 C ATOM 767 O LYS A 78 8.354 7.090 -0.276 1.00 0.66 O ATOM 768 CB LYS A 78 5.886 9.116 -0.112 1.00 0.69 C ATOM 769 CG LYS A 78 5.311 10.520 -0.226 1.00 0.77 C ATOM 770 CD LYS A 78 6.407 11.575 -0.225 1.00 1.17 C ATOM 771 CE LYS A 78 5.840 12.977 -0.377 1.00 1.41 C ATOM 772 NZ LYS A 78 4.973 13.354 0.770 1.00 2.09 N ATOM 0 H LYS A 78 5.331 8.971 -2.547 1.00 0.53 H new ATOM 0 HA LYS A 78 7.762 9.468 -1.074 1.00 0.60 H new ATOM 0 HB2 LYS A 78 5.072 8.393 -0.168 1.00 0.69 H new ATOM 0 HB3 LYS A 78 6.348 9.000 0.869 1.00 0.69 H new ATOM 0 HG2 LYS A 78 4.727 10.602 -1.143 1.00 0.77 H new ATOM 0 HG3 LYS A 78 4.628 10.703 0.604 1.00 0.77 H new ATOM 0 HD2 LYS A 78 6.973 11.510 0.704 1.00 1.17 H new ATOM 0 HD3 LYS A 78 7.105 11.375 -1.038 1.00 1.17 H new ATOM 0 HE2 LYS A 78 6.658 13.692 -0.463 1.00 1.41 H new ATOM 0 HE3 LYS A 78 5.265 13.038 -1.301 1.00 1.41 H new ATOM 0 HZ1 LYS A 78 4.745 14.367 0.714 1.00 2.09 H new ATOM 0 HZ2 LYS A 78 4.094 12.799 0.738 1.00 2.09 H new ATOM 0 HZ3 LYS A 78 5.473 13.160 1.661 1.00 2.09 H new ATOM 786 N PHE A 79 6.795 6.441 -1.758 1.00 0.52 N ATOM 787 CA PHE A 79 7.262 5.066 -1.833 1.00 0.50 C ATOM 788 C PHE A 79 8.632 5.025 -2.503 1.00 0.51 C ATOM 789 O PHE A 79 9.535 4.307 -2.070 1.00 0.56 O ATOM 790 CB PHE A 79 6.256 4.219 -2.616 1.00 0.48 C ATOM 791 CG PHE A 79 6.687 2.797 -2.819 1.00 0.51 C ATOM 792 CD1 PHE A 79 6.518 1.859 -1.813 1.00 0.62 C ATOM 793 CD2 PHE A 79 7.255 2.399 -4.014 1.00 0.53 C ATOM 794 CE1 PHE A 79 6.909 0.550 -1.999 1.00 0.67 C ATOM 795 CE2 PHE A 79 7.648 1.093 -4.205 1.00 0.61 C ATOM 796 CZ PHE A 79 7.491 0.171 -3.188 1.00 0.65 C ATOM 0 H PHE A 79 5.956 6.629 -2.306 1.00 0.52 H new ATOM 0 HA PHE A 79 7.352 4.657 -0.827 1.00 0.50 H new ATOM 0 HB2 PHE A 79 5.301 4.227 -2.090 1.00 0.48 H new ATOM 0 HB3 PHE A 79 6.088 4.680 -3.589 1.00 0.48 H new ATOM 0 HD1 PHE A 79 6.076 2.156 -0.874 1.00 0.62 H new ATOM 0 HD2 PHE A 79 7.392 3.120 -4.807 1.00 0.53 H new ATOM 0 HE1 PHE A 79 6.759 -0.176 -1.214 1.00 0.67 H new ATOM 0 HE2 PHE A 79 8.078 0.790 -5.148 1.00 0.61 H new ATOM 0 HZ PHE A 79 7.825 -0.847 -3.326 1.00 0.65 H new ATOM 806 N LYS A 80 8.781 5.822 -3.551 1.00 0.51 N ATOM 807 CA LYS A 80 10.029 5.887 -4.290 1.00 0.58 C ATOM 808 C LYS A 80 11.066 6.697 -3.530 1.00 0.63 C ATOM 809 O LYS A 80 12.264 6.559 -3.767 1.00 0.66 O ATOM 810 CB LYS A 80 9.797 6.492 -5.672 1.00 0.64 C ATOM 811 CG LYS A 80 8.951 5.614 -6.577 1.00 0.69 C ATOM 812 CD LYS A 80 9.622 4.274 -6.840 1.00 0.72 C ATOM 813 CE LYS A 80 10.953 4.443 -7.559 1.00 0.93 C ATOM 814 NZ LYS A 80 10.800 5.105 -8.882 1.00 1.09 N ATOM 0 H LYS A 80 8.048 6.435 -3.908 1.00 0.51 H new ATOM 0 HA LYS A 80 10.407 4.872 -4.409 1.00 0.58 H new ATOM 0 HB2 LYS A 80 9.311 7.461 -5.560 1.00 0.64 H new ATOM 0 HB3 LYS A 80 10.761 6.672 -6.149 1.00 0.64 H new ATOM 0 HG2 LYS A 80 7.976 5.450 -6.118 1.00 0.69 H new ATOM 0 HG3 LYS A 80 8.776 6.126 -7.523 1.00 0.69 H new ATOM 0 HD2 LYS A 80 9.782 3.755 -5.895 1.00 0.72 H new ATOM 0 HD3 LYS A 80 8.961 3.648 -7.439 1.00 0.72 H new ATOM 0 HE2 LYS A 80 11.627 5.031 -6.937 1.00 0.93 H new ATOM 0 HE3 LYS A 80 11.416 3.466 -7.696 1.00 0.93 H new ATOM 0 HZ1 LYS A 80 11.692 5.032 -9.412 1.00 1.09 H new ATOM 0 HZ2 LYS A 80 10.040 4.639 -9.418 1.00 1.09 H new ATOM 0 HZ3 LYS A 80 10.561 6.108 -8.743 1.00 1.09 H new ATOM 828 N GLU A 81 10.597 7.528 -2.605 1.00 0.67 N ATOM 829 CA GLU A 81 11.483 8.355 -1.794 1.00 0.78 C ATOM 830 C GLU A 81 12.483 7.483 -1.044 1.00 0.67 C ATOM 831 O GLU A 81 13.683 7.760 -1.037 1.00 0.70 O ATOM 832 CB GLU A 81 10.677 9.184 -0.793 1.00 0.94 C ATOM 833 CG GLU A 81 11.541 10.018 0.136 1.00 1.25 C ATOM 834 CD GLU A 81 11.027 10.017 1.559 1.00 1.57 C ATOM 835 OE1 GLU A 81 10.940 11.107 2.161 1.00 2.07 O ATOM 836 OE2 GLU A 81 10.677 8.936 2.077 1.00 2.04 O ATOM 0 H GLU A 81 9.605 7.647 -2.398 1.00 0.67 H new ATOM 0 HA GLU A 81 12.023 9.028 -2.460 1.00 0.78 H new ATOM 0 HB2 GLU A 81 10.003 9.844 -1.339 1.00 0.94 H new ATOM 0 HB3 GLU A 81 10.056 8.516 -0.197 1.00 0.94 H new ATOM 0 HG2 GLU A 81 12.561 9.634 0.121 1.00 1.25 H new ATOM 0 HG3 GLU A 81 11.581 11.043 -0.232 1.00 1.25 H new ATOM 843 N GLY A 82 11.981 6.419 -0.432 1.00 0.62 N ATOM 844 CA GLY A 82 12.832 5.533 0.334 1.00 0.62 C ATOM 845 C GLY A 82 13.784 4.755 -0.544 1.00 0.62 C ATOM 846 O GLY A 82 14.956 4.590 -0.207 1.00 0.72 O ATOM 0 H GLY A 82 10.996 6.154 -0.453 1.00 0.62 H new ATOM 0 HA2 GLY A 82 13.402 6.115 1.058 1.00 0.62 H new ATOM 0 HA3 GLY A 82 12.213 4.838 0.901 1.00 0.62 H new ATOM 850 N VAL A 83 13.273 4.287 -1.673 1.00 0.58 N ATOM 851 CA VAL A 83 14.062 3.516 -2.627 1.00 0.66 C ATOM 852 C VAL A 83 15.196 4.364 -3.203 1.00 0.73 C ATOM 853 O VAL A 83 16.360 3.952 -3.198 1.00 0.85 O ATOM 854 CB VAL A 83 13.301 3.074 -3.621 1.00 0.68 C ATOM 855 CG1 VAL A 83 14.091 2.147 -4.538 1.00 0.83 C ATOM 856 CG2 VAL A 83 12.056 2.372 -3.100 1.00 0.65 C ATOM 0 H VAL A 83 12.303 4.429 -1.955 1.00 0.58 H new ATOM 0 HA VAL A 83 14.484 2.665 -2.092 1.00 0.66 H new ATOM 0 HB VAL A 83 12.980 3.941 -4.198 1.00 0.68 H new ATOM 0 HG11 VAL A 83 13.447 1.798 -5.345 1.00 0.83 H new ATOM 0 HG12 VAL A 83 14.939 2.688 -4.959 1.00 0.83 H new ATOM 0 HG13 VAL A 83 14.453 1.292 -3.967 1.00 0.83 H new ATOM 0 HG21 VAL A 83 11.456 2.023 -3.941 1.00 0.65 H new ATOM 0 HG22 VAL A 83 12.349 1.521 -2.485 1.00 0.65 H new ATOM 0 HG23 VAL A 83 11.470 3.068 -2.500 1.00 0.65 H new ATOM 866 N ALA A 84 14.854 5.564 -3.662 1.00 0.70 N ATOM 867 CA ALA A 84 15.828 6.473 -4.254 1.00 0.81 C ATOM 868 C ALA A 84 16.880 6.894 -3.235 1.00 0.92 C ATOM 869 O ALA A 84 18.045 7.096 -3.579 1.00 1.14 O ATOM 870 CB ALA A 84 15.129 7.695 -4.827 1.00 0.85 C ATOM 0 H ALA A 84 13.903 5.931 -3.634 1.00 0.70 H new ATOM 0 HA ALA A 84 16.335 5.944 -5.062 1.00 0.81 H new ATOM 0 HB1 ALA A 84 15.869 8.365 -5.266 1.00 0.85 H new ATOM 0 HB2 ALA A 84 14.421 7.383 -5.595 1.00 0.85 H new ATOM 0 HB3 ALA A 84 14.595 8.215 -4.032 1.00 0.85 H new ATOM 876 N SER A 85 16.461 7.016 -1.984 1.00 0.92 N ATOM 877 CA SER A 85 17.363 7.379 -0.906 1.00 1.12 C ATOM 878 C SER A 85 18.224 6.183 -0.495 1.00 1.16 C ATOM 879 O SER A 85 19.355 6.029 -0.958 1.00 1.40 O ATOM 880 CB SER A 85 16.562 7.903 0.292 1.00 1.38 C ATOM 881 OG SER A 85 15.825 9.065 -0.059 1.00 1.82 O ATOM 0 H SER A 85 15.495 6.867 -1.691 1.00 0.92 H new ATOM 0 HA SER A 85 18.027 8.168 -1.258 1.00 1.12 H new ATOM 0 HB2 SER A 85 15.881 7.129 0.646 1.00 1.38 H new ATOM 0 HB3 SER A 85 17.239 8.132 1.115 1.00 1.38 H new ATOM 0 HG SER A 85 14.968 8.802 -0.455 1.00 1.82 H new ATOM 887 N GLY A 86 17.675 5.334 0.357 1.00 1.12 N ATOM 888 CA GLY A 86 18.402 4.180 0.842 1.00 1.47 C ATOM 889 C GLY A 86 17.480 3.218 1.548 1.00 1.35 C ATOM 890 O GLY A 86 17.363 2.053 1.172 1.00 1.65 O ATOM 0 H GLY A 86 16.728 5.425 0.725 1.00 1.12 H new ATOM 0 HA2 GLY A 86 18.890 3.676 0.008 1.00 1.47 H new ATOM 0 HA3 GLY A 86 19.189 4.502 1.524 1.00 1.47 H new ATOM 894 N ASN A 87 16.819 3.725 2.578 1.00 1.30 N ATOM 895 CA ASN A 87 15.846 2.952 3.330 1.00 1.28 C ATOM 896 C ASN A 87 14.456 3.546 3.161 1.00 0.81 C ATOM 897 O ASN A 87 14.302 4.758 3.002 1.00 1.19 O ATOM 898 CB ASN A 87 16.217 2.899 4.818 1.00 1.94 C ATOM 899 CG ASN A 87 16.660 4.244 5.371 1.00 2.79 C ATOM 900 OD1 ASN A 87 17.856 4.518 5.471 1.00 3.50 O ATOM 901 ND2 ASN A 87 15.712 5.102 5.707 1.00 3.16 N ATOM 0 H ASN A 87 16.942 4.680 2.914 1.00 1.30 H new ATOM 0 HA ASN A 87 15.849 1.934 2.939 1.00 1.28 H new ATOM 0 HB2 ASN A 87 15.358 2.544 5.388 1.00 1.94 H new ATOM 0 HB3 ASN A 87 17.017 2.173 4.961 1.00 1.94 H new ATOM 0 HD21 ASN A 87 15.962 6.025 6.062 1.00 3.16 H new ATOM 0 HD22 ASN A 87 14.731 4.841 5.611 1.00 3.16 H new ATOM 908 N LEU A 88 13.448 2.693 3.205 1.00 0.61 N ATOM 909 CA LEU A 88 12.079 3.135 3.061 1.00 0.75 C ATOM 910 C LEU A 88 11.359 2.972 4.383 1.00 0.56 C ATOM 911 O LEU A 88 11.156 1.859 4.853 1.00 1.00 O ATOM 912 CB LEU A 88 11.359 2.353 1.957 1.00 1.61 C ATOM 913 CG LEU A 88 9.892 2.740 1.739 1.00 2.22 C ATOM 914 CD1 LEU A 88 9.766 4.224 1.425 1.00 2.96 C ATOM 915 CD2 LEU A 88 9.282 1.910 0.620 1.00 2.90 C ATOM 0 H LEU A 88 13.556 1.688 3.340 1.00 0.61 H new ATOM 0 HA LEU A 88 12.077 4.186 2.774 1.00 0.75 H new ATOM 0 HB2 LEU A 88 11.899 2.495 1.021 1.00 1.61 H new ATOM 0 HB3 LEU A 88 11.407 1.290 2.195 1.00 1.61 H new ATOM 0 HG LEU A 88 9.347 2.536 2.661 1.00 2.22 H new ATOM 0 HD11 LEU A 88 8.716 4.476 1.274 1.00 2.96 H new ATOM 0 HD12 LEU A 88 10.163 4.807 2.256 1.00 2.96 H new ATOM 0 HD13 LEU A 88 10.328 4.453 0.520 1.00 2.96 H new ATOM 0 HD21 LEU A 88 8.240 2.198 0.479 1.00 2.90 H new ATOM 0 HD22 LEU A 88 9.834 2.083 -0.304 1.00 2.90 H new ATOM 0 HD23 LEU A 88 9.334 0.853 0.881 1.00 2.90 H new ATOM 927 N ASN A 89 11.017 4.087 4.996 1.00 0.54 N ATOM 928 CA ASN A 89 10.332 4.076 6.275 1.00 0.47 C ATOM 929 C ASN A 89 9.661 5.414 6.514 1.00 0.59 C ATOM 930 O ASN A 89 9.910 6.099 7.507 1.00 0.97 O ATOM 931 CB ASN A 89 11.289 3.724 7.418 1.00 0.50 C ATOM 932 CG ASN A 89 12.590 4.514 7.401 1.00 1.31 C ATOM 933 OD1 ASN A 89 12.661 5.631 6.887 1.00 2.24 O ATOM 934 ND2 ASN A 89 13.633 3.934 7.970 1.00 1.82 N ATOM 0 H ASN A 89 11.203 5.019 4.627 1.00 0.54 H new ATOM 0 HA ASN A 89 9.565 3.302 6.249 1.00 0.47 H new ATOM 0 HB2 ASN A 89 10.783 3.897 8.368 1.00 0.50 H new ATOM 0 HB3 ASN A 89 11.521 2.660 7.369 1.00 0.50 H new ATOM 0 HD21 ASN A 89 14.533 4.413 7.993 1.00 1.82 H new ATOM 0 HD22 ASN A 89 13.537 3.008 8.386 1.00 1.82 H new ATOM 941 N THR A 90 8.788 5.767 5.595 1.00 0.51 N ATOM 942 CA THR A 90 8.141 7.057 5.617 1.00 0.61 C ATOM 943 C THR A 90 6.683 6.910 6.035 1.00 0.53 C ATOM 944 O THR A 90 6.054 5.881 5.775 1.00 0.51 O ATOM 945 CB THR A 90 8.219 7.631 4.428 1.00 0.75 C ATOM 946 OG1 THR A 90 9.544 7.429 3.901 1.00 1.63 O ATOM 947 CG2 THR A 90 7.917 9.122 4.492 1.00 1.39 C ATOM 0 H THR A 90 8.509 5.170 4.816 1.00 0.51 H new ATOM 0 HA THR A 90 8.652 7.689 6.344 1.00 0.61 H new ATOM 0 HB THR A 90 7.472 7.174 3.779 1.00 0.75 H new ATOM 0 HG1 THR A 90 9.776 8.172 3.305 1.00 1.63 H new ATOM 0 HG21 THR A 90 7.993 9.552 3.493 1.00 1.39 H new ATOM 0 HG22 THR A 90 6.908 9.273 4.876 1.00 1.39 H new ATOM 0 HG23 THR A 90 8.634 9.610 5.152 1.00 1.39 H new ATOM 955 N MET A 91 6.174 7.894 6.756 1.00 0.55 N ATOM 956 CA MET A 91 4.786 7.885 7.188 1.00 0.51 C ATOM 957 C MET A 91 4.066 9.127 6.680 1.00 0.57 C ATOM 958 O MET A 91 4.430 10.249 7.025 1.00 0.75 O ATOM 959 CB MET A 91 4.703 7.828 8.712 1.00 0.60 C ATOM 960 CG MET A 91 3.280 7.813 9.242 1.00 1.14 C ATOM 961 SD MET A 91 3.205 7.873 11.041 1.00 1.61 S ATOM 962 CE MET A 91 3.944 9.476 11.353 1.00 1.77 C ATOM 0 H MET A 91 6.703 8.713 7.056 1.00 0.55 H new ATOM 0 HA MET A 91 4.303 7.000 6.774 1.00 0.51 H new ATOM 0 HB2 MET A 91 5.222 6.936 9.063 1.00 0.60 H new ATOM 0 HB3 MET A 91 5.228 8.687 9.129 1.00 0.60 H new ATOM 0 HG2 MET A 91 2.735 8.663 8.832 1.00 1.14 H new ATOM 0 HG3 MET A 91 2.776 6.912 8.892 1.00 1.14 H new ATOM 0 HE1 MET A 91 3.632 9.836 12.333 1.00 1.77 H new ATOM 0 HE2 MET A 91 5.030 9.387 11.328 1.00 1.77 H new ATOM 0 HE3 MET A 91 3.620 10.181 10.587 1.00 1.77 H new ATOM 972 N PHE A 92 3.054 8.921 5.856 1.00 0.49 N ATOM 973 CA PHE A 92 2.285 10.028 5.307 1.00 0.55 C ATOM 974 C PHE A 92 0.798 9.699 5.317 1.00 0.48 C ATOM 975 O PHE A 92 0.419 8.541 5.475 1.00 0.47 O ATOM 976 CB PHE A 92 2.753 10.346 3.883 1.00 0.72 C ATOM 977 CG PHE A 92 2.705 9.168 2.947 1.00 1.04 C ATOM 978 CD1 PHE A 92 1.592 8.941 2.152 1.00 1.25 C ATOM 979 CD2 PHE A 92 3.773 8.289 2.867 1.00 1.83 C ATOM 980 CE1 PHE A 92 1.547 7.860 1.293 1.00 2.19 C ATOM 981 CE2 PHE A 92 3.733 7.208 2.011 1.00 2.86 C ATOM 982 CZ PHE A 92 2.615 6.996 1.216 1.00 3.01 C ATOM 0 H PHE A 92 2.744 7.998 5.551 1.00 0.49 H new ATOM 0 HA PHE A 92 2.448 10.907 5.931 1.00 0.55 H new ATOM 0 HB2 PHE A 92 2.133 11.145 3.477 1.00 0.72 H new ATOM 0 HB3 PHE A 92 3.774 10.724 3.923 1.00 0.72 H new ATOM 0 HD1 PHE A 92 0.751 9.617 2.205 1.00 1.25 H new ATOM 0 HD2 PHE A 92 4.646 8.452 3.481 1.00 1.83 H new ATOM 0 HE1 PHE A 92 0.673 7.693 0.681 1.00 2.19 H new ATOM 0 HE2 PHE A 92 4.570 6.528 1.959 1.00 2.86 H new ATOM 0 HZ PHE A 92 2.584 6.155 0.539 1.00 3.01 H new ATOM 992 N GLU A 93 -0.036 10.714 5.161 1.00 0.48 N ATOM 993 CA GLU A 93 -1.478 10.520 5.124 1.00 0.47 C ATOM 994 C GLU A 93 -1.993 10.768 3.706 1.00 0.45 C ATOM 995 O GLU A 93 -1.690 11.799 3.103 1.00 0.53 O ATOM 996 CB GLU A 93 -2.156 11.452 6.134 1.00 0.58 C ATOM 997 CG GLU A 93 -3.643 11.199 6.321 1.00 1.30 C ATOM 998 CD GLU A 93 -4.213 11.953 7.506 1.00 1.73 C ATOM 999 OE1 GLU A 93 -4.284 11.371 8.610 1.00 2.39 O ATOM 1000 OE2 GLU A 93 -4.578 13.135 7.345 1.00 2.04 O ATOM 0 H GLU A 93 0.261 11.684 5.058 1.00 0.48 H new ATOM 0 HA GLU A 93 -1.718 9.493 5.400 1.00 0.47 H new ATOM 0 HB2 GLU A 93 -1.658 11.347 7.098 1.00 0.58 H new ATOM 0 HB3 GLU A 93 -2.013 12.483 5.811 1.00 0.58 H new ATOM 0 HG2 GLU A 93 -4.175 11.493 5.416 1.00 1.30 H new ATOM 0 HG3 GLU A 93 -3.813 10.131 6.458 1.00 1.30 H new ATOM 1007 N TYR A 94 -2.765 9.824 3.185 1.00 0.44 N ATOM 1008 CA TYR A 94 -3.183 9.858 1.789 1.00 0.51 C ATOM 1009 C TYR A 94 -4.674 9.535 1.659 1.00 0.42 C ATOM 1010 O TYR A 94 -5.291 9.028 2.597 1.00 0.40 O ATOM 1011 CB TYR A 94 -2.348 8.861 0.973 1.00 0.69 C ATOM 1012 CG TYR A 94 -2.518 9.001 -0.523 1.00 1.24 C ATOM 1013 CD1 TYR A 94 -2.983 7.944 -1.297 1.00 2.16 C ATOM 1014 CD2 TYR A 94 -2.213 10.193 -1.160 1.00 1.19 C ATOM 1015 CE1 TYR A 94 -3.137 8.076 -2.665 1.00 2.86 C ATOM 1016 CE2 TYR A 94 -2.367 10.331 -2.523 1.00 1.83 C ATOM 1017 CZ TYR A 94 -2.827 9.275 -3.272 1.00 2.64 C ATOM 1018 OH TYR A 94 -2.975 9.421 -4.632 1.00 3.37 O ATOM 0 H TYR A 94 -3.116 9.023 3.710 1.00 0.44 H new ATOM 0 HA TYR A 94 -3.020 10.863 1.401 1.00 0.51 H new ATOM 0 HB2 TYR A 94 -1.295 8.993 1.223 1.00 0.69 H new ATOM 0 HB3 TYR A 94 -2.621 7.847 1.267 1.00 0.69 H new ATOM 0 HD1 TYR A 94 -3.228 7.005 -0.823 1.00 2.16 H new ATOM 0 HD2 TYR A 94 -1.849 11.028 -0.579 1.00 1.19 H new ATOM 0 HE1 TYR A 94 -3.498 7.246 -3.254 1.00 2.86 H new ATOM 0 HE2 TYR A 94 -2.126 11.269 -3.002 1.00 1.83 H new ATOM 0 HH TYR A 94 -3.369 8.606 -5.008 1.00 3.37 H new ATOM 1028 N THR A 95 -5.246 9.829 0.496 1.00 0.46 N ATOM 1029 CA THR A 95 -6.658 9.593 0.257 1.00 0.46 C ATOM 1030 C THR A 95 -6.884 8.377 -0.643 1.00 0.47 C ATOM 1031 O THR A 95 -6.143 8.156 -1.601 1.00 0.60 O ATOM 1032 CB THR A 95 -7.215 10.651 -0.308 1.00 0.59 C ATOM 1033 OG1 THR A 95 -6.755 11.847 0.340 1.00 1.40 O ATOM 1034 CG2 THR A 95 -8.734 10.597 -0.247 1.00 1.09 C ATOM 0 H THR A 95 -4.747 10.233 -0.297 1.00 0.46 H new ATOM 0 HA THR A 95 -7.118 9.402 1.226 1.00 0.46 H new ATOM 0 HB THR A 95 -6.921 10.654 -1.358 1.00 0.59 H new ATOM 0 HG1 THR A 95 -7.169 12.628 -0.083 1.00 1.40 H new ATOM 0 HG21 THR A 95 -9.149 11.486 -0.723 1.00 1.09 H new ATOM 0 HG22 THR A 95 -9.088 9.708 -0.768 1.00 1.09 H new ATOM 0 HG23 THR A 95 -9.055 10.559 0.794 1.00 1.09 H new ATOM 1042 N PHE A 96 -7.872 7.564 -0.293 1.00 0.43 N ATOM 1043 CA PHE A 96 -8.316 6.470 -1.151 1.00 0.53 C ATOM 1044 C PHE A 96 -9.725 6.765 -1.641 1.00 0.62 C ATOM 1045 O PHE A 96 -10.677 6.739 -0.858 1.00 0.78 O ATOM 1046 CB PHE A 96 -8.290 5.132 -0.405 1.00 0.69 C ATOM 1047 CG PHE A 96 -6.905 4.612 -0.127 1.00 0.74 C ATOM 1048 CD1 PHE A 96 -5.880 4.812 -1.038 1.00 0.69 C ATOM 1049 CD2 PHE A 96 -6.626 3.933 1.048 1.00 1.03 C ATOM 1050 CE1 PHE A 96 -4.605 4.344 -0.781 1.00 0.82 C ATOM 1051 CE2 PHE A 96 -5.353 3.460 1.310 1.00 1.18 C ATOM 1052 CZ PHE A 96 -4.351 3.638 0.383 1.00 1.03 C ATOM 0 H PHE A 96 -8.385 7.642 0.585 1.00 0.43 H new ATOM 0 HA PHE A 96 -7.635 6.391 -1.998 1.00 0.53 H new ATOM 0 HB2 PHE A 96 -8.821 5.245 0.540 1.00 0.69 H new ATOM 0 HB3 PHE A 96 -8.834 4.391 -0.990 1.00 0.69 H new ATOM 0 HD1 PHE A 96 -6.080 5.339 -1.959 1.00 0.69 H new ATOM 0 HD2 PHE A 96 -7.413 3.771 1.769 1.00 1.03 H new ATOM 0 HE1 PHE A 96 -3.808 4.529 -1.487 1.00 0.82 H new ATOM 0 HE2 PHE A 96 -5.145 2.952 2.240 1.00 1.18 H new ATOM 0 HZ PHE A 96 -3.368 3.228 0.563 1.00 1.03 H new ATOM 1062 N ASP A 97 -9.853 7.091 -2.921 1.00 0.66 N ATOM 1063 CA ASP A 97 -11.152 7.419 -3.497 1.00 0.88 C ATOM 1064 C ASP A 97 -11.498 6.451 -4.624 1.00 0.95 C ATOM 1065 O ASP A 97 -12.490 6.628 -5.337 1.00 1.74 O ATOM 1066 CB ASP A 97 -11.171 8.863 -4.006 1.00 1.17 C ATOM 1067 CG ASP A 97 -10.387 9.058 -5.290 1.00 1.83 C ATOM 1068 OD1 ASP A 97 -10.881 9.782 -6.182 1.00 2.18 O ATOM 1069 OD2 ASP A 97 -9.276 8.500 -5.418 1.00 2.57 O ATOM 0 H ASP A 97 -9.075 7.135 -3.579 1.00 0.66 H new ATOM 0 HA ASP A 97 -11.905 7.322 -2.715 1.00 0.88 H new ATOM 0 HB2 ASP A 97 -12.204 9.170 -4.169 1.00 1.17 H new ATOM 0 HB3 ASP A 97 -10.762 9.518 -3.236 1.00 1.17 H new ATOM 1074 N TYR A 98 -10.682 5.420 -4.764 1.00 1.21 N ATOM 1075 CA TYR A 98 -10.924 4.365 -5.733 1.00 1.30 C ATOM 1076 C TYR A 98 -10.987 3.038 -4.990 1.00 1.26 C ATOM 1077 O TYR A 98 -10.124 2.764 -4.159 1.00 2.02 O ATOM 1078 CB TYR A 98 -9.812 4.346 -6.787 1.00 1.57 C ATOM 1079 CG TYR A 98 -10.115 3.504 -8.008 1.00 1.79 C ATOM 1080 CD1 TYR A 98 -9.934 2.126 -7.996 1.00 1.70 C ATOM 1081 CD2 TYR A 98 -10.569 4.093 -9.182 1.00 2.36 C ATOM 1082 CE1 TYR A 98 -10.197 1.362 -9.116 1.00 2.13 C ATOM 1083 CE2 TYR A 98 -10.837 3.335 -10.304 1.00 2.79 C ATOM 1084 CZ TYR A 98 -10.649 1.969 -10.266 1.00 2.67 C ATOM 1085 OH TYR A 98 -10.905 1.211 -11.386 1.00 3.21 O ATOM 0 H TYR A 98 -9.835 5.291 -4.210 1.00 1.21 H new ATOM 0 HA TYR A 98 -11.867 4.540 -6.251 1.00 1.30 H new ATOM 0 HB2 TYR A 98 -9.615 5.369 -7.107 1.00 1.57 H new ATOM 0 HB3 TYR A 98 -8.897 3.976 -6.324 1.00 1.57 H new ATOM 0 HD1 TYR A 98 -9.582 1.645 -7.096 1.00 1.70 H new ATOM 0 HD2 TYR A 98 -10.715 5.163 -9.217 1.00 2.36 H new ATOM 0 HE1 TYR A 98 -10.049 0.293 -9.090 1.00 2.13 H new ATOM 0 HE2 TYR A 98 -11.192 3.809 -11.207 1.00 2.79 H new ATOM 0 HH TYR A 98 -11.218 1.793 -12.110 1.00 3.21 H new ATOM 1095 N GLN A 99 -12.022 2.239 -5.265 1.00 1.11 N ATOM 1096 CA GLN A 99 -12.285 0.999 -4.516 1.00 1.70 C ATOM 1097 C GLN A 99 -12.699 1.326 -3.082 1.00 1.80 C ATOM 1098 O GLN A 99 -12.846 0.435 -2.239 1.00 2.28 O ATOM 1099 CB GLN A 99 -11.066 0.059 -4.517 1.00 2.11 C ATOM 1100 CG GLN A 99 -10.700 -0.476 -5.891 1.00 2.28 C ATOM 1101 CD GLN A 99 -11.845 -1.224 -6.541 1.00 2.65 C ATOM 1102 OE1 GLN A 99 -11.992 -2.431 -6.370 1.00 3.23 O ATOM 1103 NE2 GLN A 99 -12.661 -0.509 -7.296 1.00 2.81 N ATOM 0 H GLN A 99 -12.698 2.428 -6.005 1.00 1.11 H new ATOM 0 HA GLN A 99 -13.102 0.479 -5.017 1.00 1.70 H new ATOM 0 HB2 GLN A 99 -10.209 0.592 -4.106 1.00 2.11 H new ATOM 0 HB3 GLN A 99 -11.268 -0.781 -3.853 1.00 2.11 H new ATOM 0 HG2 GLN A 99 -10.400 0.352 -6.533 1.00 2.28 H new ATOM 0 HG3 GLN A 99 -9.839 -1.139 -5.803 1.00 2.28 H new ATOM 0 HE21 GLN A 99 -12.503 0.492 -7.412 1.00 2.81 H new ATOM 0 HE22 GLN A 99 -13.449 -0.958 -7.763 1.00 2.81 H new ATOM 1112 N MET A 100 -12.915 2.606 -2.832 1.00 1.50 N ATOM 1113 CA MET A 100 -13.269 3.112 -1.518 1.00 1.55 C ATOM 1114 C MET A 100 -13.764 4.532 -1.671 1.00 1.40 C ATOM 1115 O MET A 100 -13.238 5.279 -2.491 1.00 1.30 O ATOM 1116 CB MET A 100 -12.054 3.082 -0.584 1.00 1.54 C ATOM 1117 CG MET A 100 -12.395 3.353 0.874 1.00 1.64 C ATOM 1118 SD MET A 100 -10.948 3.312 1.950 1.00 2.37 S ATOM 1119 CE MET A 100 -11.720 3.436 3.561 1.00 2.85 C ATOM 0 H MET A 100 -12.848 3.332 -3.545 1.00 1.50 H new ATOM 0 HA MET A 100 -14.047 2.485 -1.082 1.00 1.55 H new ATOM 0 HB2 MET A 100 -11.573 2.107 -0.660 1.00 1.54 H new ATOM 0 HB3 MET A 100 -11.329 3.823 -0.922 1.00 1.54 H new ATOM 0 HG2 MET A 100 -12.875 4.328 0.955 1.00 1.64 H new ATOM 0 HG3 MET A 100 -13.118 2.613 1.217 1.00 1.64 H new ATOM 0 HE1 MET A 100 -10.995 3.810 4.284 1.00 2.85 H new ATOM 0 HE2 MET A 100 -12.566 4.121 3.507 1.00 2.85 H new ATOM 0 HE3 MET A 100 -12.069 2.452 3.874 1.00 2.85 H new ATOM 1129 N THR A 101 -14.791 4.902 -0.928 1.00 1.46 N ATOM 1130 CA THR A 101 -15.218 6.280 -0.915 1.00 1.40 C ATOM 1131 C THR A 101 -14.112 7.135 -0.321 1.00 1.14 C ATOM 1132 O THR A 101 -13.330 6.632 0.483 1.00 1.13 O ATOM 1133 CB THR A 101 -16.340 6.435 -0.244 1.00 1.54 C ATOM 1134 OG1 THR A 101 -16.314 5.635 0.952 1.00 2.12 O ATOM 1135 CG2 THR A 101 -17.535 6.052 -1.096 1.00 2.05 C ATOM 0 H THR A 101 -15.335 4.275 -0.335 1.00 1.46 H new ATOM 0 HA THR A 101 -15.415 6.595 -1.940 1.00 1.40 H new ATOM 0 HB THR A 101 -16.434 7.486 0.029 1.00 1.54 H new ATOM 0 HG1 THR A 101 -17.152 5.758 1.446 1.00 2.12 H new ATOM 0 HG21 THR A 101 -18.451 6.188 -0.521 1.00 2.05 H new ATOM 0 HG22 THR A 101 -17.567 6.684 -1.983 1.00 2.05 H new ATOM 0 HG23 THR A 101 -17.448 5.008 -1.397 1.00 2.05 H new ATOM 1143 N PRO A 102 -13.983 8.399 -0.759 1.00 1.13 N ATOM 1144 CA PRO A 102 -12.876 9.276 -0.356 1.00 1.00 C ATOM 1145 C PRO A 102 -12.647 9.308 1.154 1.00 0.92 C ATOM 1146 O PRO A 102 -13.253 10.106 1.873 1.00 1.15 O ATOM 1147 CB PRO A 102 -13.313 10.647 -0.865 1.00 1.32 C ATOM 1148 CG PRO A 102 -14.174 10.347 -2.038 1.00 1.47 C ATOM 1149 CD PRO A 102 -14.901 9.080 -1.693 1.00 1.44 C ATOM 0 HA PRO A 102 -11.925 8.932 -0.763 1.00 1.00 H new ATOM 0 HB2 PRO A 102 -13.860 11.199 -0.101 1.00 1.32 H new ATOM 0 HB3 PRO A 102 -12.456 11.258 -1.147 1.00 1.32 H new ATOM 0 HG2 PRO A 102 -14.874 11.161 -2.229 1.00 1.47 H new ATOM 0 HG3 PRO A 102 -13.576 10.222 -2.941 1.00 1.47 H new ATOM 0 HD2 PRO A 102 -15.866 9.285 -1.229 1.00 1.44 H new ATOM 0 HD3 PRO A 102 -15.095 8.475 -2.578 1.00 1.44 H new ATOM 1157 N THR A 103 -11.808 8.397 1.633 1.00 0.73 N ATOM 1158 CA THR A 103 -11.422 8.379 3.031 1.00 0.70 C ATOM 1159 C THR A 103 -9.957 8.794 3.182 1.00 0.58 C ATOM 1160 O THR A 103 -9.176 8.682 2.235 1.00 0.54 O ATOM 1161 CB THR A 103 -11.605 7.176 3.552 1.00 0.81 C ATOM 1162 OG1 THR A 103 -12.848 6.629 3.084 1.00 1.34 O ATOM 1163 CG2 THR A 103 -11.628 7.212 5.072 1.00 1.40 C ATOM 0 H THR A 103 -11.383 7.661 1.069 1.00 0.73 H new ATOM 0 HA THR A 103 -12.051 9.090 3.567 1.00 0.70 H new ATOM 0 HB THR A 103 -10.768 6.554 3.236 1.00 0.81 H new ATOM 0 HG1 THR A 103 -12.749 6.343 2.152 1.00 1.34 H new ATOM 0 HG21 THR A 103 -11.780 6.204 5.458 1.00 1.40 H new ATOM 0 HG22 THR A 103 -10.679 7.602 5.441 1.00 1.40 H new ATOM 0 HG23 THR A 103 -12.441 7.856 5.408 1.00 1.40 H new ATOM 1171 N LYS A 104 -9.601 9.314 4.348 1.00 0.60 N ATOM 1172 CA LYS A 104 -8.232 9.709 4.622 1.00 0.59 C ATOM 1173 C LYS A 104 -7.567 8.660 5.498 1.00 0.58 C ATOM 1174 O LYS A 104 -8.013 8.396 6.615 1.00 0.75 O ATOM 1175 CB LYS A 104 -8.194 11.068 5.329 1.00 0.75 C ATOM 1176 CG LYS A 104 -8.739 12.221 4.498 1.00 1.45 C ATOM 1177 CD LYS A 104 -7.836 12.546 3.320 1.00 1.90 C ATOM 1178 CE LYS A 104 -8.362 13.731 2.522 1.00 2.46 C ATOM 1179 NZ LYS A 104 -9.639 13.418 1.823 1.00 3.08 N ATOM 0 H LYS A 104 -10.247 9.472 5.121 1.00 0.60 H new ATOM 0 HA LYS A 104 -7.696 9.793 3.677 1.00 0.59 H new ATOM 0 HB2 LYS A 104 -8.767 11.000 6.254 1.00 0.75 H new ATOM 0 HB3 LYS A 104 -7.164 11.291 5.607 1.00 0.75 H new ATOM 0 HG2 LYS A 104 -9.734 11.967 4.133 1.00 1.45 H new ATOM 0 HG3 LYS A 104 -8.846 13.104 5.128 1.00 1.45 H new ATOM 0 HD2 LYS A 104 -6.831 12.767 3.681 1.00 1.90 H new ATOM 0 HD3 LYS A 104 -7.757 11.675 2.670 1.00 1.90 H new ATOM 0 HE2 LYS A 104 -8.514 14.578 3.191 1.00 2.46 H new ATOM 0 HE3 LYS A 104 -7.614 14.034 1.789 1.00 2.46 H new ATOM 0 HZ1 LYS A 104 -9.637 13.860 0.881 1.00 3.08 H new ATOM 0 HZ2 LYS A 104 -9.736 12.387 1.722 1.00 3.08 H new ATOM 0 HZ3 LYS A 104 -10.438 13.788 2.377 1.00 3.08 H new ATOM 1193 N VAL A 105 -6.524 8.042 4.977 1.00 0.45 N ATOM 1194 CA VAL A 105 -5.795 7.030 5.721 1.00 0.47 C ATOM 1195 C VAL A 105 -4.330 7.417 5.857 1.00 0.40 C ATOM 1196 O VAL A 105 -3.845 8.299 5.153 1.00 0.37 O ATOM 1197 CB VAL A 105 -5.875 5.832 5.153 1.00 0.54 C ATOM 1198 CG1 VAL A 105 -7.304 5.301 5.204 1.00 1.33 C ATOM 1199 CG2 VAL A 105 -5.361 5.862 3.721 1.00 0.94 C ATOM 0 H VAL A 105 -6.162 8.223 4.041 1.00 0.45 H new ATOM 0 HA VAL A 105 -6.259 6.973 6.706 1.00 0.47 H new ATOM 0 HB VAL A 105 -5.238 5.154 5.721 1.00 0.54 H new ATOM 0 HG11 VAL A 105 -7.344 4.319 4.733 1.00 1.33 H new ATOM 0 HG12 VAL A 105 -7.625 5.219 6.242 1.00 1.33 H new ATOM 0 HG13 VAL A 105 -7.966 5.985 4.673 1.00 1.33 H new ATOM 0 HG21 VAL A 105 -5.440 4.866 3.285 1.00 0.94 H new ATOM 0 HG22 VAL A 105 -5.956 6.563 3.135 1.00 0.94 H new ATOM 0 HG23 VAL A 105 -4.318 6.179 3.715 1.00 0.94 H new ATOM 1209 N LYS A 106 -3.640 6.780 6.778 1.00 0.43 N ATOM 1210 CA LYS A 106 -2.228 7.017 6.962 1.00 0.42 C ATOM 1211 C LYS A 106 -1.460 5.803 6.482 1.00 0.40 C ATOM 1212 O LYS A 106 -1.756 4.674 6.877 1.00 0.47 O ATOM 1213 CB LYS A 106 -1.915 7.329 8.429 1.00 0.48 C ATOM 1214 CG LYS A 106 -0.440 7.579 8.700 1.00 0.71 C ATOM 1215 CD LYS A 106 -0.230 8.347 9.995 1.00 0.83 C ATOM 1216 CE LYS A 106 -0.814 7.621 11.195 1.00 1.56 C ATOM 1217 NZ LYS A 106 -0.694 8.428 12.437 1.00 1.69 N ATOM 0 H LYS A 106 -4.039 6.090 7.414 1.00 0.43 H new ATOM 0 HA LYS A 106 -1.924 7.885 6.377 1.00 0.42 H new ATOM 0 HB2 LYS A 106 -2.485 8.206 8.734 1.00 0.48 H new ATOM 0 HB3 LYS A 106 -2.253 6.498 9.048 1.00 0.48 H new ATOM 0 HG2 LYS A 106 0.087 6.626 8.752 1.00 0.71 H new ATOM 0 HG3 LYS A 106 -0.007 8.138 7.871 1.00 0.71 H new ATOM 0 HD2 LYS A 106 0.837 8.505 10.152 1.00 0.83 H new ATOM 0 HD3 LYS A 106 -0.689 9.332 9.910 1.00 0.83 H new ATOM 0 HE2 LYS A 106 -1.864 7.395 11.008 1.00 1.56 H new ATOM 0 HE3 LYS A 106 -0.301 6.668 11.329 1.00 1.56 H new ATOM 0 HZ1 LYS A 106 -1.103 7.901 13.235 1.00 1.69 H new ATOM 0 HZ2 LYS A 106 0.309 8.623 12.629 1.00 1.69 H new ATOM 0 HZ3 LYS A 106 -1.204 9.326 12.318 1.00 1.69 H new ATOM 1231 N VAL A 107 -0.483 6.042 5.630 1.00 0.37 N ATOM 1232 CA VAL A 107 0.215 4.988 4.954 1.00 0.42 C ATOM 1233 C VAL A 107 1.648 4.978 5.433 1.00 0.40 C ATOM 1234 O VAL A 107 2.421 5.900 5.163 1.00 0.54 O ATOM 1235 CB VAL A 107 0.166 5.166 3.643 1.00 0.46 C ATOM 1236 CG1 VAL A 107 0.971 4.100 2.907 1.00 1.26 C ATOM 1237 CG2 VAL A 107 -1.272 5.182 3.146 1.00 1.27 C ATOM 0 H VAL A 107 -0.156 6.979 5.392 1.00 0.37 H new ATOM 0 HA VAL A 107 -0.256 4.031 5.178 1.00 0.42 H new ATOM 0 HB VAL A 107 0.614 6.136 3.430 1.00 0.46 H new ATOM 0 HG11 VAL A 107 0.910 4.275 1.833 1.00 1.26 H new ATOM 0 HG12 VAL A 107 2.013 4.147 3.224 1.00 1.26 H new ATOM 0 HG13 VAL A 107 0.566 3.115 3.138 1.00 1.26 H new ATOM 0 HG21 VAL A 107 -1.282 5.330 2.066 1.00 1.27 H new ATOM 0 HG22 VAL A 107 -1.751 4.233 3.387 1.00 1.27 H new ATOM 0 HG23 VAL A 107 -1.815 5.995 3.628 1.00 1.27 H new ATOM 1247 N HIS A 108 1.989 3.950 6.168 1.00 0.34 N ATOM 1248 CA HIS A 108 3.313 3.844 6.721 1.00 0.34 C ATOM 1249 C HIS A 108 4.104 2.840 5.909 1.00 0.32 C ATOM 1250 O HIS A 108 3.735 1.675 5.814 1.00 0.44 O ATOM 1251 CB HIS A 108 3.247 3.417 8.189 1.00 0.45 C ATOM 1252 CG HIS A 108 4.467 3.777 8.985 1.00 0.53 C ATOM 1253 ND1 HIS A 108 4.417 4.113 10.319 1.00 0.97 N ATOM 1254 CD2 HIS A 108 5.775 3.852 8.634 1.00 0.54 C ATOM 1255 CE1 HIS A 108 5.632 4.380 10.752 1.00 1.02 C ATOM 1256 NE2 HIS A 108 6.475 4.230 9.751 1.00 0.68 N ATOM 0 H HIS A 108 1.367 3.175 6.397 1.00 0.34 H new ATOM 0 HA HIS A 108 3.806 4.815 6.678 1.00 0.34 H new ATOM 0 HB2 HIS A 108 2.375 3.878 8.652 1.00 0.45 H new ATOM 0 HB3 HIS A 108 3.100 2.338 8.237 1.00 0.45 H new ATOM 0 HD2 HIS A 108 6.188 3.651 7.657 1.00 0.54 H new ATOM 0 HE1 HIS A 108 5.893 4.673 11.758 1.00 1.02 H new ATOM 0 HE2 HIS A 108 7.484 4.372 9.799 1.00 0.68 H new ATOM 1265 N MET A 109 5.187 3.308 5.336 1.00 0.30 N ATOM 1266 CA MET A 109 6.058 2.463 4.528 1.00 0.39 C ATOM 1267 C MET A 109 7.249 2.051 5.369 1.00 0.34 C ATOM 1268 O MET A 109 7.799 2.879 6.086 1.00 0.45 O ATOM 1269 CB MET A 109 6.548 3.236 3.297 1.00 0.65 C ATOM 1270 CG MET A 109 5.457 3.597 2.303 1.00 0.87 C ATOM 1271 SD MET A 109 4.887 2.180 1.350 1.00 2.22 S ATOM 1272 CE MET A 109 3.691 2.964 0.272 1.00 2.49 C ATOM 0 H MET A 109 5.495 4.278 5.411 1.00 0.30 H new ATOM 0 HA MET A 109 5.507 1.583 4.195 1.00 0.39 H new ATOM 0 HB2 MET A 109 7.036 4.152 3.630 1.00 0.65 H new ATOM 0 HB3 MET A 109 7.304 2.639 2.786 1.00 0.65 H new ATOM 0 HG2 MET A 109 4.613 4.032 2.838 1.00 0.87 H new ATOM 0 HG3 MET A 109 5.831 4.361 1.621 1.00 0.87 H new ATOM 0 HE1 MET A 109 3.444 2.290 -0.549 1.00 2.49 H new ATOM 0 HE2 MET A 109 2.788 3.194 0.837 1.00 2.49 H new ATOM 0 HE3 MET A 109 4.112 3.886 -0.129 1.00 2.49 H new ATOM 1282 N LYS A 110 7.624 0.776 5.320 1.00 0.32 N ATOM 1283 CA LYS A 110 8.719 0.281 6.147 1.00 0.35 C ATOM 1284 C LYS A 110 9.420 -0.887 5.474 1.00 0.32 C ATOM 1285 O LYS A 110 8.804 -1.897 5.169 1.00 0.45 O ATOM 1286 CB LYS A 110 8.204 -0.134 7.528 1.00 0.50 C ATOM 1287 CG LYS A 110 8.071 1.032 8.494 1.00 0.97 C ATOM 1288 CD LYS A 110 7.312 0.651 9.753 1.00 0.91 C ATOM 1289 CE LYS A 110 7.945 -0.532 10.473 1.00 1.31 C ATOM 1290 NZ LYS A 110 9.355 -0.271 10.868 1.00 1.57 N ATOM 0 H LYS A 110 7.190 0.073 4.722 1.00 0.32 H new ATOM 0 HA LYS A 110 9.440 1.089 6.271 1.00 0.35 H new ATOM 0 HB2 LYS A 110 7.233 -0.617 7.416 1.00 0.50 H new ATOM 0 HB3 LYS A 110 8.881 -0.874 7.954 1.00 0.50 H new ATOM 0 HG2 LYS A 110 9.064 1.392 8.765 1.00 0.97 H new ATOM 0 HG3 LYS A 110 7.558 1.856 7.998 1.00 0.97 H new ATOM 0 HD2 LYS A 110 7.277 1.507 10.427 1.00 0.91 H new ATOM 0 HD3 LYS A 110 6.282 0.407 9.494 1.00 0.91 H new ATOM 0 HE2 LYS A 110 7.360 -0.767 11.362 1.00 1.31 H new ATOM 0 HE3 LYS A 110 7.909 -1.409 9.826 1.00 1.31 H new ATOM 0 HZ1 LYS A 110 9.713 -1.071 11.427 1.00 1.57 H new ATOM 0 HZ2 LYS A 110 9.939 -0.156 10.015 1.00 1.57 H new ATOM 0 HZ3 LYS A 110 9.401 0.598 11.438 1.00 1.57 H new ATOM 1304 N LYS A 111 10.712 -0.743 5.248 1.00 0.37 N ATOM 1305 CA LYS A 111 11.469 -1.745 4.522 1.00 0.38 C ATOM 1306 C LYS A 111 11.813 -2.929 5.412 1.00 0.43 C ATOM 1307 O LYS A 111 12.192 -2.766 6.575 1.00 0.60 O ATOM 1308 CB LYS A 111 12.766 -1.155 3.957 1.00 0.49 C ATOM 1309 CG LYS A 111 13.387 -2.029 2.879 1.00 0.56 C ATOM 1310 CD LYS A 111 14.881 -1.804 2.726 1.00 1.03 C ATOM 1311 CE LYS A 111 15.464 -2.766 1.702 1.00 1.49 C ATOM 1312 NZ LYS A 111 16.949 -2.725 1.673 1.00 2.13 N ATOM 0 H LYS A 111 11.260 0.060 5.557 1.00 0.37 H new ATOM 0 HA LYS A 111 10.838 -2.085 3.701 1.00 0.38 H new ATOM 0 HB2 LYS A 111 12.562 -0.167 3.545 1.00 0.49 H new ATOM 0 HB3 LYS A 111 13.482 -1.020 4.767 1.00 0.49 H new ATOM 0 HG2 LYS A 111 13.205 -3.077 3.118 1.00 0.56 H new ATOM 0 HG3 LYS A 111 12.895 -1.829 1.927 1.00 0.56 H new ATOM 0 HD2 LYS A 111 15.070 -0.776 2.416 1.00 1.03 H new ATOM 0 HD3 LYS A 111 15.376 -1.943 3.687 1.00 1.03 H new ATOM 0 HE2 LYS A 111 15.135 -3.780 1.930 1.00 1.49 H new ATOM 0 HE3 LYS A 111 15.076 -2.520 0.713 1.00 1.49 H new ATOM 0 HZ1 LYS A 111 17.301 -3.396 0.961 1.00 2.13 H new ATOM 0 HZ2 LYS A 111 17.265 -1.765 1.429 1.00 2.13 H new ATOM 0 HZ3 LYS A 111 17.322 -2.985 2.608 1.00 2.13 H new ATOM 1326 N ALA A 112 11.667 -4.112 4.850 1.00 0.44 N ATOM 1327 CA ALA A 112 12.128 -5.335 5.470 1.00 0.59 C ATOM 1328 C ALA A 112 12.791 -6.179 4.395 1.00 0.92 C ATOM 1329 O ALA A 112 12.819 -5.778 3.230 1.00 1.57 O ATOM 1330 CB ALA A 112 10.970 -6.085 6.112 1.00 0.96 C ATOM 0 H ALA A 112 11.221 -4.251 3.943 1.00 0.44 H new ATOM 0 HA ALA A 112 12.842 -5.110 6.263 1.00 0.59 H new ATOM 0 HB1 ALA A 112 11.340 -7.001 6.572 1.00 0.96 H new ATOM 0 HB2 ALA A 112 10.508 -5.457 6.874 1.00 0.96 H new ATOM 0 HB3 ALA A 112 10.231 -6.334 5.350 1.00 0.96 H new ATOM 1336 N LEU A 113 13.339 -7.321 4.758 1.00 1.01 N ATOM 1337 CA LEU A 113 13.891 -8.200 3.750 1.00 1.49 C ATOM 1338 C LEU A 113 12.826 -9.204 3.307 1.00 1.26 C ATOM 1339 O LEU A 113 11.955 -8.849 2.511 1.00 2.05 O ATOM 1340 CB LEU A 113 15.175 -8.880 4.243 1.00 2.52 C ATOM 1341 CG LEU A 113 15.936 -9.677 3.180 1.00 3.38 C ATOM 1342 CD1 LEU A 113 16.263 -8.797 1.982 1.00 3.91 C ATOM 1343 CD2 LEU A 113 17.209 -10.258 3.768 1.00 4.41 C ATOM 0 H LEU A 113 13.413 -7.656 5.719 1.00 1.01 H new ATOM 0 HA LEU A 113 14.179 -7.611 2.879 1.00 1.49 H new ATOM 0 HB2 LEU A 113 15.840 -8.117 4.648 1.00 2.52 H new ATOM 0 HB3 LEU A 113 14.921 -9.550 5.065 1.00 2.52 H new ATOM 0 HG LEU A 113 15.300 -10.495 2.843 1.00 3.38 H new ATOM 0 HD11 LEU A 113 16.804 -9.382 1.238 1.00 3.91 H new ATOM 0 HD12 LEU A 113 15.339 -8.419 1.545 1.00 3.91 H new ATOM 0 HD13 LEU A 113 16.881 -7.959 2.304 1.00 3.91 H new ATOM 0 HD21 LEU A 113 17.740 -10.822 3.001 1.00 4.41 H new ATOM 0 HD22 LEU A 113 17.845 -9.450 4.129 1.00 4.41 H new ATOM 0 HD23 LEU A 113 16.958 -10.920 4.597 1.00 4.41 H new ATOM 1355 N SER A 114 12.853 -10.423 3.857 1.00 1.21 N ATOM 1356 CA SER A 114 11.880 -11.472 3.518 1.00 1.56 C ATOM 1357 C SER A 114 11.617 -11.551 2.008 1.00 1.72 C ATOM 1358 O SER A 114 10.467 -11.621 1.567 1.00 2.36 O ATOM 1359 CB SER A 114 10.570 -11.257 4.291 1.00 2.13 C ATOM 1360 OG SER A 114 10.080 -9.937 4.133 1.00 2.55 O ATOM 0 H SER A 114 13.546 -10.711 4.547 1.00 1.21 H new ATOM 0 HA SER A 114 12.312 -12.427 3.816 1.00 1.56 H new ATOM 0 HB2 SER A 114 9.821 -11.968 3.942 1.00 2.13 H new ATOM 0 HB3 SER A 114 10.734 -11.460 5.349 1.00 2.13 H new ATOM 0 HG SER A 114 9.529 -9.698 4.907 1.00 2.55 H new ATOM 1366 N GLY A 115 12.689 -11.551 1.221 1.00 1.73 N ATOM 1367 CA GLY A 115 12.547 -11.582 -0.225 1.00 2.05 C ATOM 1368 C GLY A 115 12.605 -10.199 -0.844 1.00 1.87 C ATOM 1369 O GLY A 115 12.246 -10.020 -2.007 1.00 2.62 O ATOM 0 H GLY A 115 13.652 -11.530 1.557 1.00 1.73 H new ATOM 0 HA2 GLY A 115 13.337 -12.201 -0.651 1.00 2.05 H new ATOM 0 HA3 GLY A 115 11.599 -12.053 -0.484 1.00 2.05 H new ATOM 1373 N ASP A 116 13.052 -9.232 -0.047 1.00 1.38 N ATOM 1374 CA ASP A 116 13.196 -7.833 -0.465 1.00 1.29 C ATOM 1375 C ASP A 116 11.842 -7.222 -0.812 1.00 1.01 C ATOM 1376 O ASP A 116 11.403 -7.238 -1.965 1.00 1.32 O ATOM 1377 CB ASP A 116 14.168 -7.683 -1.642 1.00 1.58 C ATOM 1378 CG ASP A 116 14.586 -6.241 -1.866 1.00 2.09 C ATOM 1379 OD1 ASP A 116 14.114 -5.632 -2.848 1.00 2.76 O ATOM 1380 OD2 ASP A 116 15.373 -5.701 -1.055 1.00 2.42 O ATOM 0 H ASP A 116 13.329 -9.396 0.921 1.00 1.38 H new ATOM 0 HA ASP A 116 13.616 -7.290 0.382 1.00 1.29 H new ATOM 0 HB2 ASP A 116 15.054 -8.291 -1.458 1.00 1.58 H new ATOM 0 HB3 ASP A 116 13.700 -8.068 -2.548 1.00 1.58 H new ATOM 1385 N SER A 117 11.174 -6.712 0.211 1.00 0.60 N ATOM 1386 CA SER A 117 9.887 -6.064 0.064 1.00 0.36 C ATOM 1387 C SER A 117 9.566 -5.269 1.328 1.00 0.34 C ATOM 1388 O SER A 117 10.107 -5.549 2.400 1.00 0.54 O ATOM 1389 CB SER A 117 8.796 -7.099 -0.244 1.00 0.35 C ATOM 1390 OG SER A 117 9.075 -8.336 0.392 1.00 1.07 O ATOM 0 H SER A 117 11.515 -6.738 1.172 1.00 0.60 H new ATOM 0 HA SER A 117 9.924 -5.371 -0.776 1.00 0.36 H new ATOM 0 HB2 SER A 117 7.829 -6.724 0.091 1.00 0.35 H new ATOM 0 HB3 SER A 117 8.725 -7.248 -1.321 1.00 0.35 H new ATOM 0 HG SER A 117 9.003 -9.063 -0.261 1.00 1.07 H new ATOM 1396 N TYR A 118 8.694 -4.282 1.210 1.00 0.22 N ATOM 1397 CA TYR A 118 8.420 -3.376 2.292 1.00 0.24 C ATOM 1398 C TYR A 118 7.082 -3.729 2.896 1.00 0.24 C ATOM 1399 O TYR A 118 6.215 -4.287 2.224 1.00 0.26 O ATOM 1400 CB TYR A 118 8.397 -1.940 1.765 1.00 0.30 C ATOM 1401 CG TYR A 118 9.430 -1.689 0.692 1.00 0.32 C ATOM 1402 CD1 TYR A 118 9.104 -1.833 -0.649 1.00 0.42 C ATOM 1403 CD2 TYR A 118 10.726 -1.326 1.016 1.00 0.57 C ATOM 1404 CE1 TYR A 118 10.047 -1.625 -1.637 1.00 0.55 C ATOM 1405 CE2 TYR A 118 11.674 -1.112 0.033 1.00 0.72 C ATOM 1406 CZ TYR A 118 11.329 -1.262 -1.292 1.00 0.67 C ATOM 1407 OH TYR A 118 12.273 -1.062 -2.272 1.00 0.86 O ATOM 0 H TYR A 118 8.162 -4.094 0.360 1.00 0.22 H new ATOM 0 HA TYR A 118 9.196 -3.458 3.053 1.00 0.24 H new ATOM 0 HB2 TYR A 118 7.406 -1.721 1.366 1.00 0.30 H new ATOM 0 HB3 TYR A 118 8.567 -1.252 2.593 1.00 0.30 H new ATOM 0 HD1 TYR A 118 8.098 -2.112 -0.925 1.00 0.42 H new ATOM 0 HD2 TYR A 118 11.001 -1.208 2.054 1.00 0.57 H new ATOM 0 HE1 TYR A 118 9.779 -1.747 -2.676 1.00 0.55 H new ATOM 0 HE2 TYR A 118 12.681 -0.828 0.303 1.00 0.72 H new ATOM 0 HH TYR A 118 13.125 -0.810 -1.859 1.00 0.86 H new ATOM 1417 N TRP A 119 6.916 -3.400 4.147 1.00 0.27 N ATOM 1418 CA TRP A 119 5.663 -3.602 4.822 1.00 0.30 C ATOM 1419 C TRP A 119 4.947 -2.278 4.907 1.00 0.33 C ATOM 1420 O TRP A 119 5.370 -1.375 5.633 1.00 0.38 O ATOM 1421 CB TRP A 119 5.892 -4.181 6.220 1.00 0.36 C ATOM 1422 CG TRP A 119 6.130 -5.660 6.215 1.00 0.38 C ATOM 1423 CD1 TRP A 119 7.328 -6.300 6.097 1.00 0.48 C ATOM 1424 CD2 TRP A 119 5.136 -6.685 6.328 1.00 0.42 C ATOM 1425 NE1 TRP A 119 7.140 -7.660 6.125 1.00 0.52 N ATOM 1426 CE2 TRP A 119 5.804 -7.921 6.269 1.00 0.48 C ATOM 1427 CE3 TRP A 119 3.747 -6.675 6.474 1.00 0.52 C ATOM 1428 CZ2 TRP A 119 5.129 -9.138 6.350 1.00 0.56 C ATOM 1429 CZ3 TRP A 119 3.076 -7.881 6.555 1.00 0.63 C ATOM 1430 CH2 TRP A 119 3.768 -9.099 6.494 1.00 0.62 C ATOM 0 H TRP A 119 7.645 -2.985 4.728 1.00 0.27 H new ATOM 0 HA TRP A 119 5.055 -4.315 4.265 1.00 0.30 H new ATOM 0 HB2 TRP A 119 6.748 -3.683 6.676 1.00 0.36 H new ATOM 0 HB3 TRP A 119 5.025 -3.961 6.844 1.00 0.36 H new ATOM 0 HD1 TRP A 119 8.285 -5.809 5.996 1.00 0.48 H new ATOM 0 HE1 TRP A 119 7.876 -8.362 6.051 1.00 0.52 H new ATOM 0 HE3 TRP A 119 3.206 -5.741 6.523 1.00 0.52 H new ATOM 0 HZ2 TRP A 119 5.660 -10.077 6.301 1.00 0.56 H new ATOM 0 HZ3 TRP A 119 2.002 -7.885 6.667 1.00 0.63 H new ATOM 0 HH2 TRP A 119 3.216 -10.025 6.562 1.00 0.62 H new ATOM 1441 N VAL A 120 3.885 -2.144 4.137 1.00 0.33 N ATOM 1442 CA VAL A 120 3.136 -0.914 4.140 1.00 0.37 C ATOM 1443 C VAL A 120 1.862 -1.061 4.971 1.00 0.40 C ATOM 1444 O VAL A 120 1.109 -2.027 4.840 1.00 0.55 O ATOM 1445 CB VAL A 120 2.881 -0.490 2.903 1.00 0.40 C ATOM 1446 CG1 VAL A 120 2.122 -1.532 2.091 1.00 0.90 C ATOM 1447 CG2 VAL A 120 2.139 0.837 2.907 1.00 0.91 C ATOM 0 H VAL A 120 3.529 -2.865 3.510 1.00 0.33 H new ATOM 0 HA VAL A 120 3.750 -0.146 4.610 1.00 0.37 H new ATOM 0 HB VAL A 120 3.845 -0.333 2.420 1.00 0.40 H new ATOM 0 HG11 VAL A 120 1.934 -1.146 1.089 1.00 0.90 H new ATOM 0 HG12 VAL A 120 2.715 -2.444 2.024 1.00 0.90 H new ATOM 0 HG13 VAL A 120 1.172 -1.752 2.579 1.00 0.90 H new ATOM 0 HG21 VAL A 120 1.949 1.151 1.881 1.00 0.91 H new ATOM 0 HG22 VAL A 120 1.191 0.722 3.433 1.00 0.91 H new ATOM 0 HG23 VAL A 120 2.744 1.591 3.410 1.00 0.91 H new ATOM 1457 N PHE A 121 1.687 -0.140 5.902 1.00 0.39 N ATOM 1458 CA PHE A 121 0.587 -0.201 6.843 1.00 0.41 C ATOM 1459 C PHE A 121 -0.435 0.875 6.529 1.00 0.41 C ATOM 1460 O PHE A 121 -0.083 2.038 6.329 1.00 0.49 O ATOM 1461 CB PHE A 121 1.102 -0.031 8.275 1.00 0.48 C ATOM 1462 CG PHE A 121 2.203 -0.985 8.639 1.00 0.53 C ATOM 1463 CD1 PHE A 121 3.528 -0.575 8.619 1.00 0.56 C ATOM 1464 CD2 PHE A 121 1.917 -2.290 9.001 1.00 0.69 C ATOM 1465 CE1 PHE A 121 4.542 -1.448 8.953 1.00 0.65 C ATOM 1466 CE2 PHE A 121 2.930 -3.169 9.336 1.00 0.79 C ATOM 1467 CZ PHE A 121 4.243 -2.748 9.313 1.00 0.73 C ATOM 0 H PHE A 121 2.300 0.666 6.025 1.00 0.39 H new ATOM 0 HA PHE A 121 0.110 -1.177 6.754 1.00 0.41 H new ATOM 0 HB2 PHE A 121 1.461 0.990 8.403 1.00 0.48 H new ATOM 0 HB3 PHE A 121 0.272 -0.167 8.968 1.00 0.48 H new ATOM 0 HD1 PHE A 121 3.768 0.440 8.339 1.00 0.56 H new ATOM 0 HD2 PHE A 121 0.891 -2.625 9.022 1.00 0.69 H new ATOM 0 HE1 PHE A 121 5.569 -1.116 8.933 1.00 0.65 H new ATOM 0 HE2 PHE A 121 2.693 -4.185 9.616 1.00 0.79 H new ATOM 0 HZ PHE A 121 5.036 -3.433 9.576 1.00 0.73 H new ATOM 1477 N VAL A 122 -1.694 0.478 6.478 1.00 0.42 N ATOM 1478 CA VAL A 122 -2.776 1.404 6.197 1.00 0.51 C ATOM 1479 C VAL A 122 -3.658 1.612 7.426 1.00 0.54 C ATOM 1480 O VAL A 122 -4.444 0.743 7.816 1.00 0.76 O ATOM 1481 CB VAL A 122 -3.516 1.013 5.162 1.00 0.67 C ATOM 1482 CG1 VAL A 122 -2.872 1.459 3.855 1.00 1.18 C ATOM 1483 CG2 VAL A 122 -3.738 -0.492 5.147 1.00 1.16 C ATOM 0 H VAL A 122 -1.993 -0.485 6.629 1.00 0.42 H new ATOM 0 HA VAL A 122 -2.312 2.354 5.933 1.00 0.51 H new ATOM 0 HB VAL A 122 -4.493 1.485 5.268 1.00 0.67 H new ATOM 0 HG11 VAL A 122 -3.487 1.133 3.016 1.00 1.18 H new ATOM 0 HG12 VAL A 122 -2.789 2.546 3.843 1.00 1.18 H new ATOM 0 HG13 VAL A 122 -1.879 1.018 3.770 1.00 1.18 H new ATOM 0 HG21 VAL A 122 -4.347 -0.761 4.284 1.00 1.16 H new ATOM 0 HG22 VAL A 122 -2.776 -1.001 5.085 1.00 1.16 H new ATOM 0 HG23 VAL A 122 -4.250 -0.793 6.061 1.00 1.16 H new ATOM 1493 N LYS A 123 -3.527 2.780 8.036 1.00 0.52 N ATOM 1494 CA LYS A 123 -4.315 3.122 9.207 1.00 0.66 C ATOM 1495 C LYS A 123 -5.432 4.073 8.819 1.00 0.55 C ATOM 1496 O LYS A 123 -5.184 5.184 8.355 1.00 0.51 O ATOM 1497 CB LYS A 123 -3.434 3.747 10.294 1.00 0.93 C ATOM 1498 CG LYS A 123 -4.216 4.290 11.485 1.00 1.36 C ATOM 1499 CD LYS A 123 -3.279 4.761 12.583 1.00 1.80 C ATOM 1500 CE LYS A 123 -4.005 5.560 13.659 1.00 2.62 C ATOM 1501 NZ LYS A 123 -4.996 4.746 14.410 1.00 3.31 N ATOM 0 H LYS A 123 -2.879 3.509 7.737 1.00 0.52 H new ATOM 0 HA LYS A 123 -4.751 2.208 9.610 1.00 0.66 H new ATOM 0 HB2 LYS A 123 -2.725 2.999 10.648 1.00 0.93 H new ATOM 0 HB3 LYS A 123 -2.851 4.557 9.855 1.00 0.93 H new ATOM 0 HG2 LYS A 123 -4.849 5.117 11.163 1.00 1.36 H new ATOM 0 HG3 LYS A 123 -4.877 3.516 11.874 1.00 1.36 H new ATOM 0 HD2 LYS A 123 -2.794 3.898 13.039 1.00 1.80 H new ATOM 0 HD3 LYS A 123 -2.491 5.375 12.147 1.00 1.80 H new ATOM 0 HE2 LYS A 123 -3.274 5.969 14.357 1.00 2.62 H new ATOM 0 HE3 LYS A 123 -4.513 6.406 13.196 1.00 2.62 H new ATOM 0 HZ1 LYS A 123 -5.459 5.339 15.128 1.00 3.31 H new ATOM 0 HZ2 LYS A 123 -5.711 4.376 13.752 1.00 3.31 H new ATOM 0 HZ3 LYS A 123 -4.512 3.953 14.876 1.00 3.31 H new ATOM 1515 N ARG A 124 -6.657 3.619 9.002 1.00 0.67 N ATOM 1516 CA ARG A 124 -7.826 4.388 8.612 1.00 0.76 C ATOM 1517 C ARG A 124 -8.281 5.285 9.754 1.00 0.85 C ATOM 1518 O ARG A 124 -7.957 5.030 10.913 1.00 0.96 O ATOM 1519 CB ARG A 124 -8.963 3.452 8.198 1.00 1.03 C ATOM 1520 CG ARG A 124 -9.366 2.463 9.281 1.00 1.58 C ATOM 1521 CD ARG A 124 -10.506 1.566 8.828 1.00 2.10 C ATOM 1522 NE ARG A 124 -11.718 2.328 8.536 1.00 2.55 N ATOM 1523 CZ ARG A 124 -12.879 1.779 8.185 1.00 3.32 C ATOM 1524 NH1 ARG A 124 -12.996 0.461 8.083 1.00 3.80 N ATOM 1525 NH2 ARG A 124 -13.922 2.558 7.933 1.00 4.03 N ATOM 0 H ARG A 124 -6.871 2.714 9.422 1.00 0.67 H new ATOM 0 HA ARG A 124 -7.556 5.015 7.762 1.00 0.76 H new ATOM 0 HB2 ARG A 124 -9.832 4.050 7.923 1.00 1.03 H new ATOM 0 HB3 ARG A 124 -8.661 2.900 7.308 1.00 1.03 H new ATOM 0 HG2 ARG A 124 -8.506 1.850 9.552 1.00 1.58 H new ATOM 0 HG3 ARG A 124 -9.665 3.007 10.177 1.00 1.58 H new ATOM 0 HD2 ARG A 124 -10.202 1.014 7.939 1.00 2.10 H new ATOM 0 HD3 ARG A 124 -10.718 0.830 9.603 1.00 2.10 H new ATOM 0 HE ARG A 124 -11.672 3.345 8.605 1.00 2.55 H new ATOM 0 HH11 ARG A 124 -12.193 -0.139 8.274 1.00 3.80 H new ATOM 0 HH12 ARG A 124 -13.889 0.048 7.814 1.00 3.80 H new ATOM 0 HH21 ARG A 124 -13.832 3.571 8.009 1.00 4.03 H new ATOM 0 HH22 ARG A 124 -14.814 2.144 7.664 1.00 4.03 H new ATOM 1539 N VAL A 125 -9.005 6.341 9.418 1.00 1.06 N ATOM 1540 CA VAL A 125 -9.582 7.218 10.425 1.00 1.33 C ATOM 1541 C VAL A 125 -10.735 6.532 11.154 1.00 2.00 C ATOM 1542 O VAL A 125 -11.669 6.042 10.483 1.00 2.87 O ATOM 1543 CB VAL A 125 -9.986 8.376 9.915 1.00 1.50 C ATOM 1544 CG1 VAL A 125 -8.785 9.261 9.616 1.00 2.10 C ATOM 1545 CG2 VAL A 125 -10.832 8.193 8.661 1.00 2.08 C ATOM 1546 OXT VAL A 125 -10.691 6.475 12.400 1.00 2.26 O ATOM 0 H VAL A 125 -9.207 6.612 8.456 1.00 1.06 H new ATOM 0 HA VAL A 125 -8.789 7.434 11.141 1.00 1.33 H new ATOM 0 HB VAL A 125 -10.618 8.858 10.661 1.00 1.50 H new ATOM 0 HG11 VAL A 125 -9.126 10.208 9.198 1.00 2.10 H new ATOM 0 HG12 VAL A 125 -8.233 9.448 10.537 1.00 2.10 H new ATOM 0 HG13 VAL A 125 -8.134 8.761 8.898 1.00 2.10 H new ATOM 0 HG21 VAL A 125 -11.137 9.169 8.283 1.00 2.08 H new ATOM 0 HG22 VAL A 125 -10.248 7.675 7.900 1.00 2.08 H new ATOM 0 HG23 VAL A 125 -11.717 7.604 8.902 1.00 2.08 H new TER 1556 VAL A 125 HETATM 1557 C1 HC4 A 169 -6.660 3.834 -5.166 1.00 0.71 C HETATM 1558 O1 HC4 A 169 -6.589 3.325 -6.283 1.00 0.73 O HETATM 1559 C2 HC4 A 169 -6.860 3.015 -3.895 1.00 0.72 C HETATM 1560 C3 HC4 A 169 -6.948 1.706 -3.966 1.00 0.71 C HETATM 1561 C1' HC4 A 169 -7.127 0.826 -2.834 1.00 0.75 C HETATM 1562 C2' HC4 A 169 -7.211 -0.549 -3.014 1.00 0.80 C HETATM 1563 C3' HC4 A 169 -7.373 -1.403 -1.939 1.00 0.86 C HETATM 1564 C4' HC4 A 169 -7.463 -0.888 -0.665 1.00 0.89 C HETATM 1565 C5' HC4 A 169 -7.383 0.470 -0.457 1.00 0.90 C HETATM 1566 C6' HC4 A 169 -7.219 1.321 -1.537 1.00 0.82 C HETATM 1567 O4' HC4 A 169 -7.626 -1.739 0.405 1.00 0.99 O HETATM 0 HO4' HC4 A 169 -6.758 -1.897 0.832 1.00 0.99 H new HETATM 0 H6' HC4 A 169 -7.161 2.396 -1.368 1.00 0.82 H new HETATM 0 H5' HC4 A 169 -7.448 0.874 0.553 1.00 0.90 H new HETATM 0 H3' HC4 A 169 -7.429 -2.480 -2.099 1.00 0.86 H new HETATM 0 H3 HC4 A 169 -6.881 1.249 -4.953 1.00 0.71 H new HETATM 0 H2' HC4 A 169 -7.148 -0.962 -4.021 1.00 0.80 H new HETATM 0 H2 HC4 A 169 -6.930 3.515 -2.929 1.00 0.72 H new