USER MOD reduce.3.24.130724 H: found=0, std=0, add=1224, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1228 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 89 THR OG1 : rot -76:sc= 0.303 USER MOD Set 1.2: B 90 HIS :FLIP no HD1:sc= -0.29 F(o=-1.3,f=0.013) USER MOD Set 2.1: B 30 LYS NZ :NH3+ 177:sc= 2.19 (180deg=1.84) USER MOD Set 2.2: B 59 GLN : amide:sc= -0.794 K(o=1.4,f=-6.8!) USER MOD Set 3.1: A 89 THR OG1 : rot -75:sc= 0.297 USER MOD Set 3.2: A 90 HIS :FLIP no HD1:sc= -0.224 F(o=-1.2,f=0.073) USER MOD Set 4.1: A 30 LYS NZ :NH3+ 178:sc= 2.16 (180deg=1.81) USER MOD Set 4.2: A 59 GLN : amide:sc= -0.767 K(o=1.4,f=-6.9!) USER MOD Single : A 7 HIS : no HD1:sc= -0.271 X(o=-0.27,f=-0.22) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 GLN : amide:sc= -0.244 X(o=-0.24,f=-0.14) USER MOD Single : A 29 SER OG : rot -69:sc= 1.23 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot -80:sc= 1.15 USER MOD Single : A 39 LYS NZ :NH3+ -159:sc= 1.2 (180deg=0.993) USER MOD Single : A 43 ASN : amide:sc= 0.859 K(o=0.86,f=-0.18) USER MOD Single : A 44 THR OG1 : rot -43:sc= -1.37! USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -0.0723 K(o=-0.072,f=-1.5!) USER MOD Single : A 49 LYS NZ :NH3+ -161:sc= -0.0662 (180deg=-0.426) USER MOD Single : A 51 LYS NZ :NH3+ -164:sc= -0.0593 (180deg=-0.341) USER MOD Single : A 64 ASN : amide:sc= -0.142 X(o=-0.14,f=-0.041) USER MOD Single : A 65 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.0889 F(o=-0.86,f=-0.089) USER MOD Single : A 72 GLN : amide:sc= 0.858 K(o=0.86,f=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 HIS : no HD1:sc=-0.00685 X(o=-0.0069,f=0) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 HIS : no HD1:sc= -0.818 K(o=-0.82,f=-4.3!) USER MOD Single : B 7 HIS : no HD1:sc= -0.256 X(o=-0.26,f=-0.19) USER MOD Single : B 13 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : B 16 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : B 17 GLN : amide:sc= -0.189 X(o=-0.19,f=-0.11) USER MOD Single : B 29 SER OG : rot -71:sc= 1.24 USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 38 THR OG1 : rot -79:sc= 1.21 USER MOD Single : B 39 LYS NZ :NH3+ -164:sc= 1.19 (180deg=0.933) USER MOD Single : B 43 ASN : amide:sc= 0.795 K(o=0.79,f=-0.21) USER MOD Single : B 44 THR OG1 : rot -31:sc= -1.35! USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 47 ASN : amide:sc= -0.0576 K(o=-0.058,f=-1.4!) USER MOD Single : B 49 LYS NZ :NH3+ -159:sc= -0.0669 (180deg=-0.47) USER MOD Single : B 51 LYS NZ :NH3+ -165:sc= -0.0812 (180deg=-0.353) USER MOD Single : B 64 ASN : amide:sc= -0.108 X(o=-0.11,f=0) USER MOD Single : B 65 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : B 68 GLN :FLIP amide:sc= -0.107 F(o=-0.97,f=-0.11) USER MOD Single : B 72 GLN : amide:sc= 0.913 K(o=0.91,f=0) USER MOD Single : B 76 SER OG : rot 180:sc= 0 USER MOD Single : B 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 86 HIS : no HD1:sc=-0.00903 X(o=-0.009,f=0) USER MOD Single : B 87 TYR OH : rot 180:sc= 0 USER MOD Single : B 88 HIS : no HD1:sc= -0.796 K(o=-0.8,f=-4.4!) USER MOD ----------------------------------------------------------------- ATOM 75 N GLU A 5 -4.787 6.702 9.700 1.00 1.20 N ATOM 76 CA GLU A 5 -3.699 6.589 8.741 1.00 0.93 C ATOM 77 C GLU A 5 -2.441 6.025 9.388 1.00 0.69 C ATOM 78 O GLU A 5 -1.352 6.120 8.827 1.00 0.68 O ATOM 79 CB GLU A 5 -3.408 7.952 8.116 1.00 1.39 C ATOM 80 CG GLU A 5 -3.298 9.079 9.129 1.00 1.80 C ATOM 81 CD GLU A 5 -3.099 10.430 8.475 1.00 2.48 C ATOM 82 OE1 GLU A 5 -4.035 10.907 7.800 1.00 3.00 O ATOM 83 OE2 GLU A 5 -2.011 11.018 8.633 1.00 3.10 O ATOM 0 HA GLU A 5 -4.010 5.895 7.960 1.00 0.93 H new ATOM 0 HB2 GLU A 5 -2.478 7.891 7.551 1.00 1.39 H new ATOM 0 HB3 GLU A 5 -4.198 8.191 7.404 1.00 1.39 H new ATOM 0 HG2 GLU A 5 -4.201 9.104 9.739 1.00 1.80 H new ATOM 0 HG3 GLU A 5 -2.464 8.878 9.802 1.00 1.80 H new ATOM 90 N GLU A 6 -2.604 5.429 10.566 1.00 0.68 N ATOM 91 CA GLU A 6 -1.508 4.761 11.267 1.00 0.67 C ATOM 92 C GLU A 6 -0.805 3.765 10.343 1.00 0.54 C ATOM 93 O GLU A 6 0.408 3.575 10.404 1.00 0.60 O ATOM 94 CB GLU A 6 -2.055 4.023 12.491 1.00 0.78 C ATOM 95 CG GLU A 6 -1.001 3.274 13.286 1.00 1.07 C ATOM 96 CD GLU A 6 -1.602 2.424 14.381 1.00 1.79 C ATOM 97 OE1 GLU A 6 -1.874 2.960 15.475 1.00 2.48 O ATOM 98 OE2 GLU A 6 -1.806 1.214 14.158 1.00 2.51 O ATOM 0 H GLU A 6 -3.495 5.395 11.061 1.00 0.68 H new ATOM 0 HA GLU A 6 -0.787 5.515 11.583 1.00 0.67 H new ATOM 0 HB2 GLU A 6 -2.546 4.743 13.146 1.00 0.78 H new ATOM 0 HB3 GLU A 6 -2.818 3.317 12.165 1.00 0.78 H new ATOM 0 HG2 GLU A 6 -0.424 2.640 12.613 1.00 1.07 H new ATOM 0 HG3 GLU A 6 -0.305 3.989 13.725 1.00 1.07 H new ATOM 105 N HIS A 7 -1.584 3.144 9.473 1.00 0.42 N ATOM 106 CA HIS A 7 -1.063 2.138 8.568 1.00 0.38 C ATOM 107 C HIS A 7 -0.365 2.799 7.387 1.00 0.35 C ATOM 108 O HIS A 7 0.767 2.453 7.059 1.00 0.39 O ATOM 109 CB HIS A 7 -2.192 1.227 8.082 1.00 0.43 C ATOM 110 CG HIS A 7 -2.885 0.484 9.185 1.00 0.95 C ATOM 111 ND1 HIS A 7 -4.240 0.591 9.432 1.00 1.73 N ATOM 112 CD2 HIS A 7 -2.406 -0.385 10.107 1.00 1.60 C ATOM 113 CE1 HIS A 7 -4.558 -0.177 10.459 1.00 2.16 C ATOM 114 NE2 HIS A 7 -3.465 -0.779 10.883 1.00 2.03 N ATOM 0 H HIS A 7 -2.584 3.321 9.376 1.00 0.42 H new ATOM 0 HA HIS A 7 -0.334 1.530 9.103 1.00 0.38 H new ATOM 0 HB2 HIS A 7 -2.925 1.828 7.544 1.00 0.43 H new ATOM 0 HB3 HIS A 7 -1.786 0.508 7.371 1.00 0.43 H new ATOM 0 HD2 HIS A 7 -1.381 -0.707 10.211 1.00 1.60 H new ATOM 0 HE1 HIS A 7 -5.546 -0.292 10.880 1.00 2.16 H new ATOM 0 HE2 HIS A 7 -3.415 -1.433 11.664 1.00 2.03 H new ATOM 123 N LEU A 8 -1.044 3.766 6.771 1.00 0.34 N ATOM 124 CA LEU A 8 -0.499 4.504 5.632 1.00 0.32 C ATOM 125 C LEU A 8 0.773 5.242 6.019 1.00 0.33 C ATOM 126 O LEU A 8 1.849 4.980 5.482 1.00 0.33 O ATOM 127 CB LEU A 8 -1.527 5.513 5.135 1.00 0.33 C ATOM 128 CG LEU A 8 -2.879 4.912 4.751 1.00 0.32 C ATOM 129 CD1 LEU A 8 -3.837 5.996 4.303 1.00 0.32 C ATOM 130 CD2 LEU A 8 -2.713 3.860 3.665 1.00 0.33 C ATOM 0 H LEU A 8 -1.982 4.059 7.045 1.00 0.34 H new ATOM 0 HA LEU A 8 -0.264 3.788 4.844 1.00 0.32 H new ATOM 0 HB2 LEU A 8 -1.685 6.262 5.911 1.00 0.33 H new ATOM 0 HB3 LEU A 8 -1.117 6.033 4.269 1.00 0.33 H new ATOM 0 HG LEU A 8 -3.299 4.427 5.632 1.00 0.32 H new ATOM 0 HD11 LEU A 8 -4.793 5.548 4.034 1.00 0.32 H new ATOM 0 HD12 LEU A 8 -3.986 6.708 5.114 1.00 0.32 H new ATOM 0 HD13 LEU A 8 -3.422 6.513 3.438 1.00 0.32 H new ATOM 0 HD21 LEU A 8 -3.688 3.446 3.408 1.00 0.33 H new ATOM 0 HD22 LEU A 8 -2.268 4.317 2.781 1.00 0.33 H new ATOM 0 HD23 LEU A 8 -2.064 3.062 4.027 1.00 0.33 H new ATOM 142 N GLU A 9 0.648 6.143 6.982 1.00 0.37 N ATOM 143 CA GLU A 9 1.766 6.977 7.378 1.00 0.40 C ATOM 144 C GLU A 9 2.804 6.152 8.125 1.00 0.40 C ATOM 145 O GLU A 9 3.974 6.514 8.174 1.00 0.42 O ATOM 146 CB GLU A 9 1.295 8.149 8.236 1.00 0.47 C ATOM 147 CG GLU A 9 2.388 9.172 8.486 1.00 1.24 C ATOM 148 CD GLU A 9 1.924 10.344 9.317 1.00 1.72 C ATOM 149 OE1 GLU A 9 1.825 10.202 10.556 1.00 2.41 O ATOM 150 OE2 GLU A 9 1.668 11.419 8.739 1.00 2.17 O ATOM 0 H GLU A 9 -0.214 6.313 7.500 1.00 0.37 H new ATOM 0 HA GLU A 9 2.226 7.382 6.476 1.00 0.40 H new ATOM 0 HB2 GLU A 9 0.453 8.637 7.746 1.00 0.47 H new ATOM 0 HB3 GLU A 9 0.932 7.771 9.192 1.00 0.47 H new ATOM 0 HG2 GLU A 9 3.224 8.686 8.989 1.00 1.24 H new ATOM 0 HG3 GLU A 9 2.761 9.538 7.529 1.00 1.24 H new ATOM 157 N GLY A 10 2.371 5.036 8.697 1.00 0.40 N ATOM 158 CA GLY A 10 3.300 4.134 9.345 1.00 0.43 C ATOM 159 C GLY A 10 4.298 3.553 8.366 1.00 0.39 C ATOM 160 O GLY A 10 5.472 3.389 8.687 1.00 0.44 O ATOM 0 H GLY A 10 1.395 4.741 8.723 1.00 0.40 H new ATOM 0 HA2 GLY A 10 3.832 4.666 10.134 1.00 0.43 H new ATOM 0 HA3 GLY A 10 2.747 3.325 9.823 1.00 0.43 H new ATOM 164 N ILE A 11 3.830 3.248 7.162 1.00 0.34 N ATOM 165 CA ILE A 11 4.698 2.735 6.110 1.00 0.33 C ATOM 166 C ILE A 11 5.594 3.852 5.586 1.00 0.33 C ATOM 167 O ILE A 11 6.794 3.663 5.376 1.00 0.38 O ATOM 168 CB ILE A 11 3.875 2.135 4.951 1.00 0.35 C ATOM 169 CG1 ILE A 11 3.000 0.996 5.472 1.00 0.41 C ATOM 170 CG2 ILE A 11 4.789 1.643 3.840 1.00 0.50 C ATOM 171 CD1 ILE A 11 2.057 0.424 4.441 1.00 1.16 C ATOM 0 H ILE A 11 2.852 3.347 6.890 1.00 0.34 H new ATOM 0 HA ILE A 11 5.315 1.943 6.535 1.00 0.33 H new ATOM 0 HB ILE A 11 3.233 2.913 4.538 1.00 0.35 H new ATOM 0 HG12 ILE A 11 3.643 0.198 5.843 1.00 0.41 H new ATOM 0 HG13 ILE A 11 2.419 1.357 6.320 1.00 0.41 H new ATOM 0 HG21 ILE A 11 4.188 1.224 3.033 1.00 0.50 H new ATOM 0 HG22 ILE A 11 5.379 2.476 3.458 1.00 0.50 H new ATOM 0 HG23 ILE A 11 5.457 0.875 4.231 1.00 0.50 H new ATOM 0 HD11 ILE A 11 1.472 -0.379 4.889 1.00 1.16 H new ATOM 0 HD12 ILE A 11 1.387 1.207 4.087 1.00 1.16 H new ATOM 0 HD13 ILE A 11 2.631 0.030 3.602 1.00 1.16 H new ATOM 183 N VAL A 12 4.993 5.022 5.405 1.00 0.33 N ATOM 184 CA VAL A 12 5.718 6.216 4.983 1.00 0.38 C ATOM 185 C VAL A 12 6.827 6.559 5.982 1.00 0.40 C ATOM 186 O VAL A 12 7.921 6.984 5.603 1.00 0.45 O ATOM 187 CB VAL A 12 4.738 7.399 4.830 1.00 0.45 C ATOM 188 CG1 VAL A 12 5.471 8.717 4.656 1.00 0.57 C ATOM 189 CG2 VAL A 12 3.817 7.150 3.650 1.00 0.48 C ATOM 0 H VAL A 12 3.994 5.170 5.546 1.00 0.33 H new ATOM 0 HA VAL A 12 6.185 6.019 4.018 1.00 0.38 H new ATOM 0 HB VAL A 12 4.149 7.471 5.744 1.00 0.45 H new ATOM 0 HG11 VAL A 12 4.747 9.525 4.552 1.00 0.57 H new ATOM 0 HG12 VAL A 12 6.098 8.902 5.528 1.00 0.57 H new ATOM 0 HG13 VAL A 12 6.095 8.671 3.763 1.00 0.57 H new ATOM 0 HG21 VAL A 12 3.126 7.987 3.545 1.00 0.48 H new ATOM 0 HG22 VAL A 12 4.410 7.052 2.740 1.00 0.48 H new ATOM 0 HG23 VAL A 12 3.253 6.232 3.816 1.00 0.48 H new ATOM 199 N ASN A 13 6.533 6.348 7.256 1.00 0.42 N ATOM 200 CA ASN A 13 7.498 6.552 8.329 1.00 0.48 C ATOM 201 C ASN A 13 8.693 5.619 8.164 1.00 0.48 C ATOM 202 O ASN A 13 9.844 6.046 8.252 1.00 0.58 O ATOM 203 CB ASN A 13 6.824 6.303 9.682 1.00 0.61 C ATOM 204 CG ASN A 13 7.776 6.415 10.859 1.00 0.75 C ATOM 205 OD1 ASN A 13 8.721 7.203 10.843 1.00 1.31 O ATOM 206 ND2 ASN A 13 7.533 5.618 11.889 1.00 1.42 N ATOM 0 H ASN A 13 5.618 6.030 7.577 1.00 0.42 H new ATOM 0 HA ASN A 13 7.856 7.581 8.285 1.00 0.48 H new ATOM 0 HB2 ASN A 13 6.012 7.018 9.812 1.00 0.61 H new ATOM 0 HB3 ASN A 13 6.377 5.309 9.679 1.00 0.61 H new ATOM 0 HD21 ASN A 13 8.140 5.644 12.708 1.00 1.42 H new ATOM 0 HD22 ASN A 13 6.739 4.979 11.863 1.00 1.42 H new ATOM 213 N ILE A 14 8.412 4.346 7.897 1.00 0.47 N ATOM 214 CA ILE A 14 9.463 3.344 7.760 1.00 0.57 C ATOM 215 C ILE A 14 10.360 3.662 6.562 1.00 0.53 C ATOM 216 O ILE A 14 11.568 3.421 6.603 1.00 0.60 O ATOM 217 CB ILE A 14 8.882 1.916 7.625 1.00 0.68 C ATOM 218 CG1 ILE A 14 7.947 1.605 8.799 1.00 1.33 C ATOM 219 CG2 ILE A 14 9.999 0.883 7.566 1.00 1.14 C ATOM 220 CD1 ILE A 14 8.615 1.680 10.158 1.00 2.06 C ATOM 0 H ILE A 14 7.466 3.985 7.772 1.00 0.47 H new ATOM 0 HA ILE A 14 10.061 3.377 8.671 1.00 0.57 H new ATOM 0 HB ILE A 14 8.313 1.869 6.696 1.00 0.68 H new ATOM 0 HG12 ILE A 14 7.110 2.303 8.778 1.00 1.33 H new ATOM 0 HG13 ILE A 14 7.532 0.606 8.664 1.00 1.33 H new ATOM 0 HG21 ILE A 14 9.568 -0.114 7.471 1.00 1.14 H new ATOM 0 HG22 ILE A 14 10.637 1.086 6.706 1.00 1.14 H new ATOM 0 HG23 ILE A 14 10.593 0.936 8.479 1.00 1.14 H new ATOM 0 HD11 ILE A 14 7.887 1.447 10.935 1.00 2.06 H new ATOM 0 HD12 ILE A 14 9.434 0.962 10.201 1.00 2.06 H new ATOM 0 HD13 ILE A 14 9.005 2.685 10.317 1.00 2.06 H new ATOM 232 N PHE A 15 9.769 4.225 5.509 1.00 0.48 N ATOM 233 CA PHE A 15 10.543 4.705 4.364 1.00 0.58 C ATOM 234 C PHE A 15 11.569 5.729 4.839 1.00 0.60 C ATOM 235 O PHE A 15 12.744 5.683 4.474 1.00 0.70 O ATOM 236 CB PHE A 15 9.614 5.336 3.313 1.00 0.68 C ATOM 237 CG PHE A 15 10.303 5.777 2.042 1.00 1.18 C ATOM 238 CD1 PHE A 15 11.159 6.871 2.031 1.00 1.74 C ATOM 239 CD2 PHE A 15 10.085 5.102 0.854 1.00 1.93 C ATOM 240 CE1 PHE A 15 11.782 7.275 0.865 1.00 2.35 C ATOM 241 CE2 PHE A 15 10.702 5.504 -0.317 1.00 2.54 C ATOM 242 CZ PHE A 15 11.551 6.591 -0.310 1.00 2.57 C ATOM 0 H PHE A 15 8.761 4.360 5.424 1.00 0.48 H new ATOM 0 HA PHE A 15 11.058 3.862 3.904 1.00 0.58 H new ATOM 0 HB2 PHE A 15 8.836 4.617 3.057 1.00 0.68 H new ATOM 0 HB3 PHE A 15 9.117 6.198 3.758 1.00 0.68 H new ATOM 0 HD1 PHE A 15 11.340 7.414 2.947 1.00 1.74 H new ATOM 0 HD2 PHE A 15 9.423 4.249 0.841 1.00 1.93 H new ATOM 0 HE1 PHE A 15 12.448 8.125 0.874 1.00 2.35 H new ATOM 0 HE2 PHE A 15 10.519 4.967 -1.236 1.00 2.54 H new ATOM 0 HZ PHE A 15 12.034 6.906 -1.223 1.00 2.57 H new ATOM 252 N HIS A 16 11.111 6.639 5.680 1.00 0.59 N ATOM 253 CA HIS A 16 11.952 7.697 6.213 1.00 0.71 C ATOM 254 C HIS A 16 13.012 7.121 7.158 1.00 0.75 C ATOM 255 O HIS A 16 14.035 7.751 7.414 1.00 0.88 O ATOM 256 CB HIS A 16 11.078 8.720 6.949 1.00 0.77 C ATOM 257 CG HIS A 16 11.730 10.052 7.159 1.00 1.15 C ATOM 258 ND1 HIS A 16 11.927 10.613 8.403 1.00 1.82 N ATOM 259 CD2 HIS A 16 12.198 10.954 6.265 1.00 1.84 C ATOM 260 CE1 HIS A 16 12.484 11.800 8.263 1.00 2.22 C ATOM 261 NE2 HIS A 16 12.661 12.032 6.977 1.00 2.23 N ATOM 0 H HIS A 16 10.147 6.666 6.013 1.00 0.59 H new ATOM 0 HA HIS A 16 12.468 8.190 5.389 1.00 0.71 H new ATOM 0 HB2 HIS A 16 10.156 8.865 6.385 1.00 0.77 H new ATOM 0 HB3 HIS A 16 10.797 8.309 7.919 1.00 0.77 H new ATOM 0 HD2 HIS A 16 12.206 10.846 5.190 1.00 1.84 H new ATOM 0 HE1 HIS A 16 12.751 12.470 9.067 1.00 2.22 H new ATOM 0 HE2 HIS A 16 13.074 12.874 6.577 1.00 2.23 H new ATOM 270 N GLN A 17 12.752 5.921 7.673 1.00 0.69 N ATOM 271 CA GLN A 17 13.618 5.309 8.676 1.00 0.81 C ATOM 272 C GLN A 17 14.821 4.567 8.082 1.00 0.93 C ATOM 273 O GLN A 17 15.923 4.664 8.625 1.00 1.18 O ATOM 274 CB GLN A 17 12.821 4.341 9.555 1.00 0.85 C ATOM 275 CG GLN A 17 11.753 5.007 10.407 1.00 1.27 C ATOM 276 CD GLN A 17 12.313 6.080 11.319 1.00 1.99 C ATOM 277 OE1 GLN A 17 12.729 5.801 12.442 1.00 2.60 O ATOM 278 NE2 GLN A 17 12.312 7.316 10.850 1.00 2.77 N ATOM 0 H GLN A 17 11.946 5.353 7.411 1.00 0.69 H new ATOM 0 HA GLN A 17 14.008 6.136 9.270 1.00 0.81 H new ATOM 0 HB2 GLN A 17 12.348 3.595 8.917 1.00 0.85 H new ATOM 0 HB3 GLN A 17 13.512 3.809 10.209 1.00 0.85 H new ATOM 0 HG2 GLN A 17 10.998 5.448 9.756 1.00 1.27 H new ATOM 0 HG3 GLN A 17 11.251 4.250 11.010 1.00 1.27 H new ATOM 0 HE21 GLN A 17 11.958 7.505 9.912 1.00 2.77 H new ATOM 0 HE22 GLN A 17 12.665 8.080 11.426 1.00 2.77 H new ATOM 452 N LEU A 28 17.580 6.324 -3.192 1.00 1.14 N ATOM 453 CA LEU A 28 16.865 5.253 -2.514 1.00 0.90 C ATOM 454 C LEU A 28 16.864 4.017 -3.407 1.00 0.71 C ATOM 455 O LEU A 28 15.852 3.669 -4.017 1.00 0.76 O ATOM 456 CB LEU A 28 15.425 5.666 -2.165 1.00 1.66 C ATOM 457 CG LEU A 28 15.266 6.847 -1.189 1.00 2.02 C ATOM 458 CD1 LEU A 28 16.193 6.698 0.007 1.00 2.91 C ATOM 459 CD2 LEU A 28 15.496 8.180 -1.887 1.00 2.37 C ATOM 0 HA LEU A 28 17.372 5.032 -1.575 1.00 0.90 H new ATOM 0 HB2 LEU A 28 14.908 5.917 -3.091 1.00 1.66 H new ATOM 0 HB3 LEU A 28 14.916 4.801 -1.740 1.00 1.66 H new ATOM 0 HG LEU A 28 14.238 6.834 -0.826 1.00 2.02 H new ATOM 0 HD11 LEU A 28 16.059 7.546 0.679 1.00 2.91 H new ATOM 0 HD12 LEU A 28 15.958 5.775 0.537 1.00 2.91 H new ATOM 0 HD13 LEU A 28 17.227 6.667 -0.336 1.00 2.91 H new ATOM 0 HD21 LEU A 28 15.376 8.992 -1.170 1.00 2.37 H new ATOM 0 HD22 LEU A 28 16.505 8.206 -2.299 1.00 2.37 H new ATOM 0 HD23 LEU A 28 14.772 8.298 -2.693 1.00 2.37 H new ATOM 471 N SER A 29 18.019 3.375 -3.497 1.00 0.61 N ATOM 472 CA SER A 29 18.216 2.269 -4.419 1.00 0.49 C ATOM 473 C SER A 29 18.039 0.910 -3.736 1.00 0.44 C ATOM 474 O SER A 29 17.595 0.845 -2.585 1.00 0.53 O ATOM 475 CB SER A 29 19.592 2.378 -5.070 1.00 0.55 C ATOM 476 OG SER A 29 19.755 3.634 -5.709 1.00 1.35 O ATOM 0 H SER A 29 18.840 3.604 -2.937 1.00 0.61 H new ATOM 0 HA SER A 29 17.449 2.334 -5.190 1.00 0.49 H new ATOM 0 HB2 SER A 29 20.367 2.247 -4.315 1.00 0.55 H new ATOM 0 HB3 SER A 29 19.718 1.577 -5.798 1.00 0.55 H new ATOM 0 HG SER A 29 19.170 3.680 -6.494 1.00 1.35 H new ATOM 482 N LYS A 30 18.377 -0.166 -4.447 1.00 0.38 N ATOM 483 CA LYS A 30 18.061 -1.526 -4.013 1.00 0.36 C ATOM 484 C LYS A 30 18.594 -1.839 -2.616 1.00 0.36 C ATOM 485 O LYS A 30 17.936 -2.535 -1.857 1.00 0.37 O ATOM 486 CB LYS A 30 18.617 -2.541 -5.011 1.00 0.39 C ATOM 487 CG LYS A 30 17.977 -3.921 -4.909 1.00 0.41 C ATOM 488 CD LYS A 30 18.763 -4.969 -5.686 1.00 0.50 C ATOM 489 CE LYS A 30 19.054 -4.542 -7.124 1.00 0.52 C ATOM 490 NZ LYS A 30 17.884 -4.706 -8.028 1.00 1.32 N ATOM 0 H LYS A 30 18.875 -0.120 -5.336 1.00 0.38 H new ATOM 0 HA LYS A 30 16.974 -1.597 -3.972 1.00 0.36 H new ATOM 0 HB2 LYS A 30 18.474 -2.158 -6.022 1.00 0.39 H new ATOM 0 HB3 LYS A 30 19.692 -2.637 -4.856 1.00 0.39 H new ATOM 0 HG2 LYS A 30 17.915 -4.216 -3.862 1.00 0.41 H new ATOM 0 HG3 LYS A 30 16.956 -3.877 -5.289 1.00 0.41 H new ATOM 0 HD2 LYS A 30 19.704 -5.166 -5.172 1.00 0.50 H new ATOM 0 HD3 LYS A 30 18.203 -5.904 -5.695 1.00 0.50 H new ATOM 0 HE2 LYS A 30 19.368 -3.498 -7.131 1.00 0.52 H new ATOM 0 HE3 LYS A 30 19.889 -5.128 -7.509 1.00 0.52 H new ATOM 0 HZ1 LYS A 30 18.131 -4.369 -8.980 1.00 1.32 H new ATOM 0 HZ2 LYS A 30 17.619 -5.711 -8.074 1.00 1.32 H new ATOM 0 HZ3 LYS A 30 17.083 -4.153 -7.662 1.00 1.32 H new ATOM 504 N GLY A 31 19.772 -1.325 -2.280 1.00 0.39 N ATOM 505 CA GLY A 31 20.365 -1.611 -0.980 1.00 0.40 C ATOM 506 C GLY A 31 19.486 -1.178 0.171 1.00 0.38 C ATOM 507 O GLY A 31 19.277 -1.930 1.125 1.00 0.39 O ATOM 0 H GLY A 31 20.328 -0.717 -2.881 1.00 0.39 H new ATOM 0 HA2 GLY A 31 20.559 -2.681 -0.901 1.00 0.40 H new ATOM 0 HA3 GLY A 31 21.328 -1.106 -0.906 1.00 0.40 H new ATOM 511 N GLU A 32 18.965 0.032 0.069 1.00 0.44 N ATOM 512 CA GLU A 32 18.121 0.599 1.108 1.00 0.50 C ATOM 513 C GLU A 32 16.827 -0.191 1.232 1.00 0.42 C ATOM 514 O GLU A 32 16.343 -0.461 2.334 1.00 0.44 O ATOM 515 CB GLU A 32 17.804 2.050 0.775 1.00 0.67 C ATOM 516 CG GLU A 32 19.036 2.905 0.517 1.00 0.96 C ATOM 517 CD GLU A 32 19.975 2.961 1.704 1.00 1.58 C ATOM 518 OE1 GLU A 32 20.819 2.051 1.848 1.00 2.10 O ATOM 519 OE2 GLU A 32 19.880 3.917 2.500 1.00 2.44 O ATOM 0 H GLU A 32 19.113 0.647 -0.731 1.00 0.44 H new ATOM 0 HA GLU A 32 18.654 0.550 2.057 1.00 0.50 H new ATOM 0 HB2 GLU A 32 17.162 2.079 -0.106 1.00 0.67 H new ATOM 0 HB3 GLU A 32 17.237 2.486 1.597 1.00 0.67 H new ATOM 0 HG2 GLU A 32 19.572 2.509 -0.345 1.00 0.96 H new ATOM 0 HG3 GLU A 32 18.722 3.917 0.260 1.00 0.96 H new ATOM 526 N LEU A 33 16.286 -0.562 0.083 1.00 0.38 N ATOM 527 CA LEU A 33 15.063 -1.333 0.010 1.00 0.34 C ATOM 528 C LEU A 33 15.288 -2.709 0.617 1.00 0.29 C ATOM 529 O LEU A 33 14.531 -3.149 1.471 1.00 0.32 O ATOM 530 CB LEU A 33 14.643 -1.465 -1.448 1.00 0.34 C ATOM 531 CG LEU A 33 13.223 -1.975 -1.675 1.00 0.39 C ATOM 532 CD1 LEU A 33 12.212 -0.923 -1.252 1.00 0.52 C ATOM 533 CD2 LEU A 33 13.015 -2.361 -3.129 1.00 0.46 C ATOM 0 H LEU A 33 16.687 -0.334 -0.827 1.00 0.38 H new ATOM 0 HA LEU A 33 14.275 -0.828 0.568 1.00 0.34 H new ATOM 0 HB2 LEU A 33 14.742 -0.491 -1.927 1.00 0.34 H new ATOM 0 HB3 LEU A 33 15.338 -2.139 -1.949 1.00 0.34 H new ATOM 0 HG LEU A 33 13.075 -2.865 -1.064 1.00 0.39 H new ATOM 0 HD11 LEU A 33 11.203 -1.300 -1.419 1.00 0.52 H new ATOM 0 HD12 LEU A 33 12.344 -0.696 -0.194 1.00 0.52 H new ATOM 0 HD13 LEU A 33 12.363 -0.017 -1.839 1.00 0.52 H new ATOM 0 HD21 LEU A 33 11.996 -2.722 -3.267 1.00 0.46 H new ATOM 0 HD22 LEU A 33 13.181 -1.491 -3.764 1.00 0.46 H new ATOM 0 HD23 LEU A 33 13.718 -3.148 -3.401 1.00 0.46 H new ATOM 545 N LYS A 34 16.357 -3.359 0.174 1.00 0.29 N ATOM 546 CA LYS A 34 16.756 -4.672 0.666 1.00 0.31 C ATOM 547 C LYS A 34 16.866 -4.671 2.183 1.00 0.35 C ATOM 548 O LYS A 34 16.370 -5.580 2.853 1.00 0.41 O ATOM 549 CB LYS A 34 18.102 -5.062 0.048 1.00 0.34 C ATOM 550 CG LYS A 34 18.749 -6.281 0.691 1.00 0.53 C ATOM 551 CD LYS A 34 20.160 -6.509 0.181 1.00 0.85 C ATOM 552 CE LYS A 34 20.796 -7.719 0.846 1.00 1.30 C ATOM 553 NZ LYS A 34 22.222 -7.884 0.462 1.00 1.87 N ATOM 0 H LYS A 34 16.978 -2.986 -0.544 1.00 0.29 H new ATOM 0 HA LYS A 34 15.996 -5.398 0.378 1.00 0.31 H new ATOM 0 HB2 LYS A 34 17.959 -5.257 -1.015 1.00 0.34 H new ATOM 0 HB3 LYS A 34 18.785 -4.216 0.128 1.00 0.34 H new ATOM 0 HG2 LYS A 34 18.771 -6.152 1.773 1.00 0.53 H new ATOM 0 HG3 LYS A 34 18.143 -7.164 0.487 1.00 0.53 H new ATOM 0 HD2 LYS A 34 20.140 -6.653 -0.899 1.00 0.85 H new ATOM 0 HD3 LYS A 34 20.767 -5.624 0.374 1.00 0.85 H new ATOM 0 HE2 LYS A 34 20.722 -7.617 1.929 1.00 1.30 H new ATOM 0 HE3 LYS A 34 20.241 -8.616 0.572 1.00 1.30 H new ATOM 0 HZ1 LYS A 34 22.615 -8.721 0.938 1.00 1.87 H new ATOM 0 HZ2 LYS A 34 22.292 -8.007 -0.568 1.00 1.87 H new ATOM 0 HZ3 LYS A 34 22.758 -7.040 0.747 1.00 1.87 H new ATOM 567 N GLN A 35 17.522 -3.647 2.712 1.00 0.35 N ATOM 568 CA GLN A 35 17.641 -3.465 4.142 1.00 0.43 C ATOM 569 C GLN A 35 16.265 -3.505 4.793 1.00 0.43 C ATOM 570 O GLN A 35 15.984 -4.411 5.569 1.00 0.50 O ATOM 571 CB GLN A 35 18.351 -2.145 4.431 1.00 0.50 C ATOM 572 CG GLN A 35 18.636 -1.925 5.900 1.00 1.07 C ATOM 573 CD GLN A 35 19.243 -0.569 6.171 1.00 1.68 C ATOM 574 OE1 GLN A 35 20.460 -0.398 6.127 1.00 2.46 O ATOM 575 NE2 GLN A 35 18.398 0.402 6.462 1.00 2.07 N ATOM 0 H GLN A 35 17.983 -2.924 2.159 1.00 0.35 H new ATOM 0 HA GLN A 35 18.234 -4.276 4.565 1.00 0.43 H new ATOM 0 HB2 GLN A 35 19.290 -2.118 3.878 1.00 0.50 H new ATOM 0 HB3 GLN A 35 17.739 -1.323 4.060 1.00 0.50 H new ATOM 0 HG2 GLN A 35 17.710 -2.025 6.466 1.00 1.07 H new ATOM 0 HG3 GLN A 35 19.313 -2.701 6.256 1.00 1.07 H new ATOM 0 HE21 GLN A 35 17.396 0.215 6.487 1.00 2.07 H new ATOM 0 HE22 GLN A 35 18.747 1.339 6.662 1.00 2.07 H new ATOM 584 N LEU A 36 15.399 -2.560 4.425 1.00 0.38 N ATOM 585 CA LEU A 36 14.046 -2.489 4.965 1.00 0.39 C ATOM 586 C LEU A 36 13.336 -3.830 4.829 1.00 0.38 C ATOM 587 O LEU A 36 12.776 -4.347 5.780 1.00 0.45 O ATOM 588 CB LEU A 36 13.257 -1.399 4.232 1.00 0.36 C ATOM 589 CG LEU A 36 11.794 -1.239 4.649 1.00 0.40 C ATOM 590 CD1 LEU A 36 11.362 0.198 4.474 1.00 0.45 C ATOM 591 CD2 LEU A 36 10.892 -2.151 3.833 1.00 0.40 C ATOM 0 H LEU A 36 15.616 -1.828 3.749 1.00 0.38 H new ATOM 0 HA LEU A 36 14.106 -2.243 6.025 1.00 0.39 H new ATOM 0 HB2 LEU A 36 13.764 -0.446 4.384 1.00 0.36 H new ATOM 0 HB3 LEU A 36 13.289 -1.611 3.163 1.00 0.36 H new ATOM 0 HG LEU A 36 11.706 -1.519 5.699 1.00 0.40 H new ATOM 0 HD11 LEU A 36 10.319 0.303 4.773 1.00 0.45 H new ATOM 0 HD12 LEU A 36 11.984 0.843 5.094 1.00 0.45 H new ATOM 0 HD13 LEU A 36 11.470 0.486 3.428 1.00 0.45 H new ATOM 0 HD21 LEU A 36 9.858 -2.018 4.149 1.00 0.40 H new ATOM 0 HD22 LEU A 36 10.983 -1.902 2.776 1.00 0.40 H new ATOM 0 HD23 LEU A 36 11.188 -3.189 3.988 1.00 0.40 H new ATOM 603 N LEU A 37 13.384 -4.388 3.640 1.00 0.34 N ATOM 604 CA LEU A 37 12.666 -5.610 3.321 1.00 0.35 C ATOM 605 C LEU A 37 13.094 -6.792 4.183 1.00 0.41 C ATOM 606 O LEU A 37 12.254 -7.463 4.782 1.00 0.45 O ATOM 607 CB LEU A 37 12.863 -5.937 1.848 1.00 0.34 C ATOM 608 CG LEU A 37 12.243 -4.919 0.896 1.00 0.30 C ATOM 609 CD1 LEU A 37 12.573 -5.249 -0.549 1.00 0.38 C ATOM 610 CD2 LEU A 37 10.743 -4.858 1.108 1.00 0.32 C ATOM 0 H LEU A 37 13.923 -4.009 2.862 1.00 0.34 H new ATOM 0 HA LEU A 37 11.611 -5.436 3.534 1.00 0.35 H new ATOM 0 HB2 LEU A 37 13.931 -6.008 1.642 1.00 0.34 H new ATOM 0 HB3 LEU A 37 12.434 -6.918 1.644 1.00 0.34 H new ATOM 0 HG LEU A 37 12.667 -3.939 1.114 1.00 0.30 H new ATOM 0 HD11 LEU A 37 12.118 -4.507 -1.205 1.00 0.38 H new ATOM 0 HD12 LEU A 37 13.654 -5.240 -0.686 1.00 0.38 H new ATOM 0 HD13 LEU A 37 12.184 -6.237 -0.795 1.00 0.38 H new ATOM 0 HD21 LEU A 37 10.308 -4.129 0.424 1.00 0.32 H new ATOM 0 HD22 LEU A 37 10.308 -5.839 0.917 1.00 0.32 H new ATOM 0 HD23 LEU A 37 10.533 -4.562 2.136 1.00 0.32 H new ATOM 622 N THR A 38 14.391 -7.038 4.257 1.00 0.45 N ATOM 623 CA THR A 38 14.903 -8.202 4.961 1.00 0.53 C ATOM 624 C THR A 38 14.671 -8.110 6.468 1.00 0.59 C ATOM 625 O THR A 38 14.560 -9.131 7.148 1.00 0.66 O ATOM 626 CB THR A 38 16.406 -8.405 4.684 1.00 0.55 C ATOM 627 OG1 THR A 38 17.122 -7.181 4.905 1.00 1.23 O ATOM 628 CG2 THR A 38 16.637 -8.876 3.259 1.00 1.03 C ATOM 0 H THR A 38 15.109 -6.447 3.838 1.00 0.45 H new ATOM 0 HA THR A 38 14.349 -9.060 4.581 1.00 0.53 H new ATOM 0 HB THR A 38 16.773 -9.169 5.369 1.00 0.55 H new ATOM 0 HG1 THR A 38 17.018 -6.596 4.126 1.00 1.23 H new ATOM 0 HG21 THR A 38 17.705 -9.012 3.089 1.00 1.03 H new ATOM 0 HG22 THR A 38 16.121 -9.823 3.101 1.00 1.03 H new ATOM 0 HG23 THR A 38 16.251 -8.132 2.563 1.00 1.03 H new ATOM 636 N LYS A 39 14.614 -6.892 6.991 1.00 0.58 N ATOM 637 CA LYS A 39 14.453 -6.702 8.427 1.00 0.66 C ATOM 638 C LYS A 39 13.001 -6.445 8.834 1.00 0.64 C ATOM 639 O LYS A 39 12.583 -6.835 9.925 1.00 0.72 O ATOM 640 CB LYS A 39 15.346 -5.569 8.922 1.00 0.72 C ATOM 641 CG LYS A 39 15.053 -4.231 8.274 1.00 0.68 C ATOM 642 CD LYS A 39 16.225 -3.269 8.406 1.00 0.73 C ATOM 643 CE LYS A 39 16.493 -2.907 9.859 1.00 0.87 C ATOM 644 NZ LYS A 39 15.375 -2.124 10.448 1.00 1.61 N ATOM 0 H LYS A 39 14.676 -6.030 6.450 1.00 0.58 H new ATOM 0 HA LYS A 39 14.756 -7.636 8.899 1.00 0.66 H new ATOM 0 HB2 LYS A 39 15.230 -5.472 10.001 1.00 0.72 H new ATOM 0 HB3 LYS A 39 16.387 -5.832 8.736 1.00 0.72 H new ATOM 0 HG2 LYS A 39 14.823 -4.381 7.219 1.00 0.68 H new ATOM 0 HG3 LYS A 39 14.168 -3.791 8.734 1.00 0.68 H new ATOM 0 HD2 LYS A 39 17.117 -3.721 7.973 1.00 0.73 H new ATOM 0 HD3 LYS A 39 16.018 -2.363 7.837 1.00 0.73 H new ATOM 0 HE2 LYS A 39 16.644 -3.818 10.439 1.00 0.87 H new ATOM 0 HE3 LYS A 39 17.415 -2.330 9.926 1.00 0.87 H new ATOM 0 HZ1 LYS A 39 15.718 -1.601 11.279 1.00 1.61 H new ATOM 0 HZ2 LYS A 39 15.012 -1.452 9.742 1.00 1.61 H new ATOM 0 HZ3 LYS A 39 14.612 -2.770 10.736 1.00 1.61 H new ATOM 658 N GLU A 40 12.232 -5.792 7.973 1.00 0.57 N ATOM 659 CA GLU A 40 10.892 -5.353 8.341 1.00 0.58 C ATOM 660 C GLU A 40 9.829 -6.283 7.777 1.00 0.56 C ATOM 661 O GLU A 40 8.925 -6.709 8.486 1.00 0.64 O ATOM 662 CB GLU A 40 10.636 -3.918 7.860 1.00 0.58 C ATOM 663 CG GLU A 40 11.562 -2.883 8.482 1.00 0.87 C ATOM 664 CD GLU A 40 11.783 -3.103 9.967 1.00 1.14 C ATOM 665 OE1 GLU A 40 10.795 -3.173 10.723 1.00 1.67 O ATOM 666 OE2 GLU A 40 12.956 -3.210 10.389 1.00 1.63 O ATOM 0 H GLU A 40 12.510 -5.556 7.021 1.00 0.57 H new ATOM 0 HA GLU A 40 10.830 -5.379 9.429 1.00 0.58 H new ATOM 0 HB2 GLU A 40 10.746 -3.884 6.776 1.00 0.58 H new ATOM 0 HB3 GLU A 40 9.604 -3.649 8.085 1.00 0.58 H new ATOM 0 HG2 GLU A 40 12.524 -2.909 7.969 1.00 0.87 H new ATOM 0 HG3 GLU A 40 11.144 -1.889 8.326 1.00 0.87 H new ATOM 673 N LEU A 41 9.951 -6.622 6.509 1.00 0.50 N ATOM 674 CA LEU A 41 8.945 -7.447 5.857 1.00 0.49 C ATOM 675 C LEU A 41 9.452 -8.876 5.738 1.00 0.52 C ATOM 676 O LEU A 41 9.016 -9.640 4.873 1.00 0.53 O ATOM 677 CB LEU A 41 8.592 -6.877 4.479 1.00 0.43 C ATOM 678 CG LEU A 41 8.296 -5.371 4.453 1.00 0.51 C ATOM 679 CD1 LEU A 41 7.771 -4.952 3.089 1.00 1.22 C ATOM 680 CD2 LEU A 41 7.309 -4.988 5.548 1.00 1.42 C ATOM 0 H LEU A 41 10.729 -6.343 5.911 1.00 0.50 H new ATOM 0 HA LEU A 41 8.038 -7.446 6.462 1.00 0.49 H new ATOM 0 HB2 LEU A 41 9.417 -7.081 3.797 1.00 0.43 H new ATOM 0 HB3 LEU A 41 7.722 -7.409 4.095 1.00 0.43 H new ATOM 0 HG LEU A 41 9.230 -4.841 4.641 1.00 0.51 H new ATOM 0 HD11 LEU A 41 7.567 -3.881 3.091 1.00 1.22 H new ATOM 0 HD12 LEU A 41 8.517 -5.178 2.327 1.00 1.22 H new ATOM 0 HD13 LEU A 41 6.852 -5.496 2.870 1.00 1.22 H new ATOM 0 HD21 LEU A 41 7.117 -3.916 5.506 1.00 1.42 H new ATOM 0 HD22 LEU A 41 6.375 -5.530 5.401 1.00 1.42 H new ATOM 0 HD23 LEU A 41 7.728 -5.244 6.521 1.00 1.42 H new ATOM 692 N ALA A 42 10.367 -9.221 6.645 1.00 0.58 N ATOM 693 CA ALA A 42 11.025 -10.528 6.670 1.00 0.64 C ATOM 694 C ALA A 42 10.034 -11.689 6.692 1.00 0.71 C ATOM 695 O ALA A 42 10.336 -12.784 6.216 1.00 0.78 O ATOM 696 CB ALA A 42 11.940 -10.617 7.879 1.00 0.71 C ATOM 0 H ALA A 42 10.675 -8.595 7.390 1.00 0.58 H new ATOM 0 HA ALA A 42 11.601 -10.614 5.749 1.00 0.64 H new ATOM 0 HB1 ALA A 42 12.428 -11.591 7.895 1.00 0.71 H new ATOM 0 HB2 ALA A 42 12.695 -9.833 7.822 1.00 0.71 H new ATOM 0 HB3 ALA A 42 11.354 -10.490 8.789 1.00 0.71 H new ATOM 702 N ASN A 43 8.853 -11.444 7.231 1.00 0.74 N ATOM 703 CA ASN A 43 7.880 -12.505 7.451 1.00 0.83 C ATOM 704 C ASN A 43 6.759 -12.475 6.417 1.00 0.83 C ATOM 705 O ASN A 43 6.021 -13.448 6.265 1.00 1.07 O ATOM 706 CB ASN A 43 7.303 -12.371 8.868 1.00 0.99 C ATOM 707 CG ASN A 43 6.269 -13.432 9.204 1.00 1.28 C ATOM 708 OD1 ASN A 43 6.608 -14.520 9.670 1.00 1.56 O ATOM 709 ND2 ASN A 43 5.000 -13.116 8.999 1.00 2.16 N ATOM 0 H ASN A 43 8.542 -10.518 7.526 1.00 0.74 H new ATOM 0 HA ASN A 43 8.388 -13.464 7.344 1.00 0.83 H new ATOM 0 HB2 ASN A 43 8.117 -12.427 9.590 1.00 0.99 H new ATOM 0 HB3 ASN A 43 6.849 -11.386 8.975 1.00 0.99 H new ATOM 0 HD21 ASN A 43 4.264 -13.784 9.229 1.00 2.16 H new ATOM 0 HD22 ASN A 43 4.758 -12.204 8.611 1.00 2.16 H new ATOM 716 N THR A 44 6.668 -11.394 5.663 1.00 0.65 N ATOM 717 CA THR A 44 5.481 -11.148 4.865 1.00 0.61 C ATOM 718 C THR A 44 5.674 -11.636 3.444 1.00 0.59 C ATOM 719 O THR A 44 4.992 -12.550 2.979 1.00 0.66 O ATOM 720 CB THR A 44 5.159 -9.648 4.838 1.00 0.56 C ATOM 721 OG1 THR A 44 5.440 -9.085 6.123 1.00 0.65 O ATOM 722 CG2 THR A 44 3.699 -9.414 4.483 1.00 0.53 C ATOM 0 H THR A 44 7.393 -10.680 5.587 1.00 0.65 H new ATOM 0 HA THR A 44 4.655 -11.694 5.321 1.00 0.61 H new ATOM 0 HB THR A 44 5.776 -9.169 4.078 1.00 0.56 H new ATOM 0 HG1 THR A 44 5.110 -9.687 6.823 1.00 0.65 H new ATOM 0 HG21 THR A 44 3.495 -8.343 4.470 1.00 0.53 H new ATOM 0 HG22 THR A 44 3.492 -9.835 3.499 1.00 0.53 H new ATOM 0 HG23 THR A 44 3.062 -9.896 5.225 1.00 0.53 H new ATOM 730 N ILE A 45 6.628 -11.029 2.775 1.00 0.52 N ATOM 731 CA ILE A 45 6.897 -11.323 1.389 1.00 0.52 C ATOM 732 C ILE A 45 7.687 -12.620 1.283 1.00 0.59 C ATOM 733 O ILE A 45 8.622 -12.844 2.056 1.00 0.60 O ATOM 734 CB ILE A 45 7.679 -10.168 0.746 1.00 0.43 C ATOM 735 CG1 ILE A 45 6.920 -8.844 0.923 1.00 0.39 C ATOM 736 CG2 ILE A 45 7.930 -10.454 -0.732 1.00 0.47 C ATOM 737 CD1 ILE A 45 7.640 -7.647 0.338 1.00 0.36 C ATOM 0 H ILE A 45 7.238 -10.318 3.178 1.00 0.52 H new ATOM 0 HA ILE A 45 5.952 -11.440 0.858 1.00 0.52 H new ATOM 0 HB ILE A 45 8.644 -10.079 1.246 1.00 0.43 H new ATOM 0 HG12 ILE A 45 5.940 -8.932 0.455 1.00 0.39 H new ATOM 0 HG13 ILE A 45 6.751 -8.672 1.986 1.00 0.39 H new ATOM 0 HG21 ILE A 45 8.485 -9.626 -1.174 1.00 0.47 H new ATOM 0 HG22 ILE A 45 8.508 -11.373 -0.832 1.00 0.47 H new ATOM 0 HG23 ILE A 45 6.976 -10.567 -1.248 1.00 0.47 H new ATOM 0 HD11 ILE A 45 7.044 -6.749 0.501 1.00 0.36 H new ATOM 0 HD12 ILE A 45 8.609 -7.533 0.823 1.00 0.36 H new ATOM 0 HD13 ILE A 45 7.785 -7.797 -0.732 1.00 0.36 H new ATOM 749 N LYS A 46 7.285 -13.482 0.351 1.00 0.67 N ATOM 750 CA LYS A 46 7.912 -14.789 0.200 1.00 0.73 C ATOM 751 C LYS A 46 9.404 -14.634 -0.020 1.00 0.68 C ATOM 752 O LYS A 46 9.831 -13.892 -0.906 1.00 0.63 O ATOM 753 CB LYS A 46 7.280 -15.582 -0.961 1.00 0.82 C ATOM 754 CG LYS A 46 7.800 -15.228 -2.354 1.00 0.79 C ATOM 755 CD LYS A 46 8.952 -16.142 -2.773 1.00 0.75 C ATOM 756 CE LYS A 46 9.465 -15.790 -4.159 1.00 0.88 C ATOM 757 NZ LYS A 46 10.522 -16.731 -4.624 1.00 1.61 N ATOM 0 H LYS A 46 6.529 -13.297 -0.309 1.00 0.67 H new ATOM 0 HA LYS A 46 7.745 -15.350 1.120 1.00 0.73 H new ATOM 0 HB2 LYS A 46 7.449 -16.645 -0.788 1.00 0.82 H new ATOM 0 HB3 LYS A 46 6.202 -15.424 -0.943 1.00 0.82 H new ATOM 0 HG2 LYS A 46 6.989 -15.309 -3.077 1.00 0.79 H new ATOM 0 HG3 LYS A 46 8.135 -14.191 -2.365 1.00 0.79 H new ATOM 0 HD2 LYS A 46 9.765 -16.059 -2.051 1.00 0.75 H new ATOM 0 HD3 LYS A 46 8.618 -17.180 -2.760 1.00 0.75 H new ATOM 0 HE2 LYS A 46 8.635 -15.801 -4.865 1.00 0.88 H new ATOM 0 HE3 LYS A 46 9.863 -14.775 -4.150 1.00 0.88 H new ATOM 0 HZ1 LYS A 46 10.842 -16.452 -5.573 1.00 1.61 H new ATOM 0 HZ2 LYS A 46 11.326 -16.702 -3.965 1.00 1.61 H new ATOM 0 HZ3 LYS A 46 10.137 -17.696 -4.658 1.00 1.61 H new ATOM 771 N ASN A 47 10.181 -15.311 0.816 1.00 0.71 N ATOM 772 CA ASN A 47 11.635 -15.311 0.706 1.00 0.67 C ATOM 773 C ASN A 47 12.185 -13.922 0.437 1.00 0.59 C ATOM 774 O ASN A 47 13.058 -13.745 -0.407 1.00 0.57 O ATOM 775 CB ASN A 47 12.095 -16.267 -0.386 1.00 0.69 C ATOM 776 CG ASN A 47 12.049 -17.716 0.055 1.00 0.92 C ATOM 777 OD1 ASN A 47 12.200 -18.020 1.239 1.00 1.48 O ATOM 778 ND2 ASN A 47 11.844 -18.621 -0.886 1.00 1.24 N ATOM 0 H ASN A 47 9.823 -15.874 1.587 1.00 0.71 H new ATOM 0 HA ASN A 47 12.025 -15.648 1.666 1.00 0.67 H new ATOM 0 HB2 ASN A 47 11.465 -16.138 -1.266 1.00 0.69 H new ATOM 0 HB3 ASN A 47 13.113 -16.013 -0.682 1.00 0.69 H new ATOM 0 HD21 ASN A 47 11.806 -19.611 -0.642 1.00 1.24 H new ATOM 0 HD22 ASN A 47 11.723 -18.330 -1.856 1.00 1.24 H new ATOM 785 N ILE A 48 11.670 -12.942 1.166 1.00 0.55 N ATOM 786 CA ILE A 48 12.115 -11.555 1.047 1.00 0.48 C ATOM 787 C ILE A 48 13.602 -11.428 1.392 1.00 0.48 C ATOM 788 O ILE A 48 14.212 -10.370 1.261 1.00 0.43 O ATOM 789 CB ILE A 48 11.286 -10.653 1.980 1.00 0.46 C ATOM 790 CG1 ILE A 48 11.554 -9.175 1.704 1.00 0.40 C ATOM 791 CG2 ILE A 48 11.587 -10.979 3.429 1.00 0.52 C ATOM 792 CD1 ILE A 48 11.281 -8.776 0.275 1.00 0.38 C ATOM 0 H ILE A 48 10.933 -13.083 1.857 1.00 0.55 H new ATOM 0 HA ILE A 48 11.970 -11.238 0.014 1.00 0.48 H new ATOM 0 HB ILE A 48 10.231 -10.846 1.784 1.00 0.46 H new ATOM 0 HG12 ILE A 48 10.935 -8.571 2.367 1.00 0.40 H new ATOM 0 HG13 ILE A 48 12.593 -8.950 1.945 1.00 0.40 H new ATOM 0 HG21 ILE A 48 10.994 -10.334 4.078 1.00 0.52 H new ATOM 0 HG22 ILE A 48 11.337 -12.021 3.627 1.00 0.52 H new ATOM 0 HG23 ILE A 48 12.647 -10.816 3.626 1.00 0.52 H new ATOM 0 HD11 ILE A 48 11.491 -7.714 0.147 1.00 0.38 H new ATOM 0 HD12 ILE A 48 11.919 -9.355 -0.393 1.00 0.38 H new ATOM 0 HD13 ILE A 48 10.235 -8.970 0.037 1.00 0.38 H new ATOM 804 N LYS A 49 14.167 -12.533 1.831 1.00 0.56 N ATOM 805 CA LYS A 49 15.560 -12.602 2.205 1.00 0.57 C ATOM 806 C LYS A 49 16.413 -12.875 0.977 1.00 0.55 C ATOM 807 O LYS A 49 17.632 -12.703 0.992 1.00 0.56 O ATOM 808 CB LYS A 49 15.735 -13.715 3.225 1.00 0.65 C ATOM 809 CG LYS A 49 14.650 -13.708 4.282 1.00 0.73 C ATOM 810 CD LYS A 49 14.643 -12.408 5.072 1.00 0.72 C ATOM 811 CE LYS A 49 15.774 -12.349 6.089 1.00 0.82 C ATOM 812 NZ LYS A 49 15.662 -13.424 7.113 1.00 1.11 N ATOM 0 H LYS A 49 13.666 -13.415 1.938 1.00 0.56 H new ATOM 0 HA LYS A 49 15.876 -11.654 2.639 1.00 0.57 H new ATOM 0 HB2 LYS A 49 15.732 -14.677 2.712 1.00 0.65 H new ATOM 0 HB3 LYS A 49 16.708 -13.613 3.706 1.00 0.65 H new ATOM 0 HG2 LYS A 49 13.679 -13.851 3.808 1.00 0.73 H new ATOM 0 HG3 LYS A 49 14.799 -14.547 4.962 1.00 0.73 H new ATOM 0 HD2 LYS A 49 14.730 -11.566 4.385 1.00 0.72 H new ATOM 0 HD3 LYS A 49 13.688 -12.302 5.586 1.00 0.72 H new ATOM 0 HE2 LYS A 49 16.730 -12.438 5.573 1.00 0.82 H new ATOM 0 HE3 LYS A 49 15.767 -11.377 6.582 1.00 0.82 H new ATOM 0 HZ1 LYS A 49 16.232 -13.171 7.945 1.00 1.11 H new ATOM 0 HZ2 LYS A 49 14.667 -13.533 7.395 1.00 1.11 H new ATOM 0 HZ3 LYS A 49 16.009 -14.320 6.715 1.00 1.11 H new ATOM 826 N ASP A 50 15.751 -13.306 -0.086 1.00 0.55 N ATOM 827 CA ASP A 50 16.427 -13.636 -1.331 1.00 0.56 C ATOM 828 C ASP A 50 16.669 -12.399 -2.156 1.00 0.50 C ATOM 829 O ASP A 50 15.762 -11.609 -2.404 1.00 0.47 O ATOM 830 CB ASP A 50 15.626 -14.642 -2.161 1.00 0.62 C ATOM 831 CG ASP A 50 15.973 -16.080 -1.844 1.00 0.97 C ATOM 832 OD1 ASP A 50 17.081 -16.520 -2.215 1.00 1.58 O ATOM 833 OD2 ASP A 50 15.137 -16.787 -1.243 1.00 1.57 O ATOM 0 H ASP A 50 14.740 -13.436 -0.111 1.00 0.55 H new ATOM 0 HA ASP A 50 17.382 -14.087 -1.061 1.00 0.56 H new ATOM 0 HB2 ASP A 50 14.562 -14.484 -1.986 1.00 0.62 H new ATOM 0 HB3 ASP A 50 15.806 -14.456 -3.220 1.00 0.62 H new ATOM 838 N LYS A 51 17.904 -12.252 -2.589 1.00 0.50 N ATOM 839 CA LYS A 51 18.303 -11.153 -3.445 1.00 0.48 C ATOM 840 C LYS A 51 17.577 -11.233 -4.777 1.00 0.50 C ATOM 841 O LYS A 51 17.360 -10.223 -5.434 1.00 0.48 O ATOM 842 CB LYS A 51 19.805 -11.215 -3.671 1.00 0.53 C ATOM 843 CG LYS A 51 20.358 -10.104 -4.551 1.00 0.83 C ATOM 844 CD LYS A 51 20.155 -8.733 -3.929 1.00 0.60 C ATOM 845 CE LYS A 51 20.749 -7.636 -4.799 1.00 0.83 C ATOM 846 NZ LYS A 51 22.205 -7.829 -5.037 1.00 0.92 N ATOM 0 H LYS A 51 18.662 -12.893 -2.357 1.00 0.50 H new ATOM 0 HA LYS A 51 18.043 -10.210 -2.964 1.00 0.48 H new ATOM 0 HB2 LYS A 51 20.307 -11.179 -2.704 1.00 0.53 H new ATOM 0 HB3 LYS A 51 20.052 -12.176 -4.123 1.00 0.53 H new ATOM 0 HG2 LYS A 51 21.422 -10.271 -4.721 1.00 0.83 H new ATOM 0 HG3 LYS A 51 19.870 -10.136 -5.525 1.00 0.83 H new ATOM 0 HD2 LYS A 51 19.090 -8.550 -3.787 1.00 0.60 H new ATOM 0 HD3 LYS A 51 20.617 -8.707 -2.942 1.00 0.60 H new ATOM 0 HE2 LYS A 51 20.227 -7.612 -5.756 1.00 0.83 H new ATOM 0 HE3 LYS A 51 20.586 -6.669 -4.322 1.00 0.83 H new ATOM 0 HZ1 LYS A 51 22.619 -6.944 -5.392 1.00 0.92 H new ATOM 0 HZ2 LYS A 51 22.670 -8.096 -4.146 1.00 0.92 H new ATOM 0 HZ3 LYS A 51 22.345 -8.583 -5.740 1.00 0.92 H new ATOM 860 N ALA A 52 17.203 -12.445 -5.161 1.00 0.55 N ATOM 861 CA ALA A 52 16.442 -12.657 -6.378 1.00 0.60 C ATOM 862 C ALA A 52 15.039 -12.126 -6.186 1.00 0.58 C ATOM 863 O ALA A 52 14.462 -11.508 -7.076 1.00 0.60 O ATOM 864 CB ALA A 52 16.394 -14.134 -6.722 1.00 0.67 C ATOM 0 H ALA A 52 17.416 -13.298 -4.643 1.00 0.55 H new ATOM 0 HA ALA A 52 16.925 -12.128 -7.199 1.00 0.60 H new ATOM 0 HB1 ALA A 52 15.820 -14.276 -7.637 1.00 0.67 H new ATOM 0 HB2 ALA A 52 17.408 -14.507 -6.868 1.00 0.67 H new ATOM 0 HB3 ALA A 52 15.920 -14.682 -5.908 1.00 0.67 H new ATOM 870 N VAL A 53 14.527 -12.341 -4.987 1.00 0.54 N ATOM 871 CA VAL A 53 13.190 -11.893 -4.630 1.00 0.53 C ATOM 872 C VAL A 53 13.186 -10.380 -4.516 1.00 0.47 C ATOM 873 O VAL A 53 12.301 -9.697 -5.029 1.00 0.48 O ATOM 874 CB VAL A 53 12.725 -12.525 -3.298 1.00 0.53 C ATOM 875 CG1 VAL A 53 11.488 -11.827 -2.744 1.00 0.51 C ATOM 876 CG2 VAL A 53 12.445 -14.004 -3.487 1.00 0.60 C ATOM 0 H VAL A 53 15.020 -12.827 -4.238 1.00 0.54 H new ATOM 0 HA VAL A 53 12.496 -12.209 -5.409 1.00 0.53 H new ATOM 0 HB VAL A 53 13.531 -12.399 -2.575 1.00 0.53 H new ATOM 0 HG11 VAL A 53 11.192 -12.300 -1.808 1.00 0.51 H new ATOM 0 HG12 VAL A 53 11.713 -10.776 -2.564 1.00 0.51 H new ATOM 0 HG13 VAL A 53 10.673 -11.906 -3.464 1.00 0.51 H new ATOM 0 HG21 VAL A 53 12.118 -14.436 -2.541 1.00 0.60 H new ATOM 0 HG22 VAL A 53 11.662 -14.134 -4.235 1.00 0.60 H new ATOM 0 HG23 VAL A 53 13.353 -14.506 -3.821 1.00 0.60 H new ATOM 886 N ILE A 54 14.217 -9.873 -3.868 1.00 0.42 N ATOM 887 CA ILE A 54 14.401 -8.445 -3.694 1.00 0.36 C ATOM 888 C ILE A 54 14.617 -7.750 -5.022 1.00 0.38 C ATOM 889 O ILE A 54 14.137 -6.640 -5.243 1.00 0.38 O ATOM 890 CB ILE A 54 15.593 -8.192 -2.780 1.00 0.35 C ATOM 891 CG1 ILE A 54 15.231 -8.707 -1.391 1.00 0.37 C ATOM 892 CG2 ILE A 54 15.980 -6.712 -2.759 1.00 0.32 C ATOM 893 CD1 ILE A 54 16.271 -8.433 -0.343 1.00 0.38 C ATOM 0 H ILE A 54 14.952 -10.441 -3.447 1.00 0.42 H new ATOM 0 HA ILE A 54 13.496 -8.037 -3.244 1.00 0.36 H new ATOM 0 HB ILE A 54 16.470 -8.722 -3.151 1.00 0.35 H new ATOM 0 HG12 ILE A 54 14.290 -8.252 -1.081 1.00 0.37 H new ATOM 0 HG13 ILE A 54 15.062 -9.782 -1.447 1.00 0.37 H new ATOM 0 HG21 ILE A 54 16.834 -6.569 -2.097 1.00 0.32 H new ATOM 0 HG22 ILE A 54 16.244 -6.391 -3.767 1.00 0.32 H new ATOM 0 HG23 ILE A 54 15.138 -6.121 -2.399 1.00 0.32 H new ATOM 0 HD11 ILE A 54 15.936 -8.831 0.615 1.00 0.38 H new ATOM 0 HD12 ILE A 54 17.208 -8.911 -0.627 1.00 0.38 H new ATOM 0 HD13 ILE A 54 16.424 -7.357 -0.255 1.00 0.38 H new ATOM 905 N ASP A 55 15.345 -8.412 -5.903 1.00 0.43 N ATOM 906 CA ASP A 55 15.605 -7.880 -7.224 1.00 0.47 C ATOM 907 C ASP A 55 14.298 -7.764 -7.967 1.00 0.48 C ATOM 908 O ASP A 55 13.958 -6.708 -8.482 1.00 0.49 O ATOM 909 CB ASP A 55 16.551 -8.793 -7.989 1.00 0.55 C ATOM 910 CG ASP A 55 17.227 -8.081 -9.139 1.00 0.86 C ATOM 911 OD1 ASP A 55 18.022 -7.159 -8.876 1.00 1.44 O ATOM 912 OD2 ASP A 55 16.966 -8.437 -10.306 1.00 1.53 O ATOM 0 H ASP A 55 15.767 -9.323 -5.724 1.00 0.43 H new ATOM 0 HA ASP A 55 16.072 -6.899 -7.132 1.00 0.47 H new ATOM 0 HB2 ASP A 55 17.309 -9.181 -7.308 1.00 0.55 H new ATOM 0 HB3 ASP A 55 15.996 -9.650 -8.370 1.00 0.55 H new ATOM 917 N GLU A 56 13.559 -8.861 -7.970 1.00 0.51 N ATOM 918 CA GLU A 56 12.232 -8.921 -8.561 1.00 0.54 C ATOM 919 C GLU A 56 11.346 -7.776 -8.075 1.00 0.47 C ATOM 920 O GLU A 56 10.652 -7.133 -8.864 1.00 0.49 O ATOM 921 CB GLU A 56 11.603 -10.266 -8.210 1.00 0.58 C ATOM 922 CG GLU A 56 12.113 -11.410 -9.069 1.00 0.69 C ATOM 923 CD GLU A 56 11.833 -11.199 -10.540 1.00 1.06 C ATOM 924 OE1 GLU A 56 12.658 -10.559 -11.226 1.00 1.66 O ATOM 925 OE2 GLU A 56 10.781 -11.674 -11.021 1.00 1.77 O ATOM 0 H GLU A 56 13.866 -9.743 -7.559 1.00 0.51 H new ATOM 0 HA GLU A 56 12.322 -8.818 -9.642 1.00 0.54 H new ATOM 0 HB2 GLU A 56 11.803 -10.490 -7.162 1.00 0.58 H new ATOM 0 HB3 GLU A 56 10.521 -10.193 -8.319 1.00 0.58 H new ATOM 0 HG2 GLU A 56 13.187 -11.522 -8.919 1.00 0.69 H new ATOM 0 HG3 GLU A 56 11.647 -12.340 -8.744 1.00 0.69 H new ATOM 932 N ILE A 57 11.380 -7.518 -6.775 1.00 0.42 N ATOM 933 CA ILE A 57 10.604 -6.443 -6.190 1.00 0.39 C ATOM 934 C ILE A 57 11.117 -5.086 -6.640 1.00 0.36 C ATOM 935 O ILE A 57 10.379 -4.307 -7.230 1.00 0.37 O ATOM 936 CB ILE A 57 10.668 -6.525 -4.668 1.00 0.40 C ATOM 937 CG1 ILE A 57 10.012 -7.818 -4.190 1.00 0.48 C ATOM 938 CG2 ILE A 57 10.006 -5.314 -4.039 1.00 0.59 C ATOM 939 CD1 ILE A 57 10.051 -7.999 -2.695 1.00 1.00 C ATOM 0 H ILE A 57 11.941 -8.044 -6.105 1.00 0.42 H new ATOM 0 HA ILE A 57 9.573 -6.553 -6.525 1.00 0.39 H new ATOM 0 HB ILE A 57 11.713 -6.531 -4.358 1.00 0.40 H new ATOM 0 HG12 ILE A 57 8.974 -7.833 -4.522 1.00 0.48 H new ATOM 0 HG13 ILE A 57 10.510 -8.664 -4.663 1.00 0.48 H new ATOM 0 HG21 ILE A 57 10.062 -5.392 -2.953 1.00 0.59 H new ATOM 0 HG22 ILE A 57 10.518 -4.409 -4.365 1.00 0.59 H new ATOM 0 HG23 ILE A 57 8.961 -5.270 -4.346 1.00 0.59 H new ATOM 0 HD11 ILE A 57 9.567 -8.939 -2.430 1.00 1.00 H new ATOM 0 HD12 ILE A 57 11.087 -8.017 -2.358 1.00 1.00 H new ATOM 0 HD13 ILE A 57 9.527 -7.173 -2.215 1.00 1.00 H new ATOM 951 N PHE A 58 12.390 -4.824 -6.368 1.00 0.35 N ATOM 952 CA PHE A 58 13.005 -3.546 -6.694 1.00 0.36 C ATOM 953 C PHE A 58 12.790 -3.200 -8.158 1.00 0.41 C ATOM 954 O PHE A 58 12.397 -2.087 -8.492 1.00 0.44 O ATOM 955 CB PHE A 58 14.502 -3.588 -6.390 1.00 0.38 C ATOM 956 CG PHE A 58 15.214 -2.315 -6.737 1.00 0.52 C ATOM 957 CD1 PHE A 58 15.160 -1.225 -5.890 1.00 1.52 C ATOM 958 CD2 PHE A 58 15.932 -2.208 -7.916 1.00 1.12 C ATOM 959 CE1 PHE A 58 15.809 -0.051 -6.210 1.00 1.68 C ATOM 960 CE2 PHE A 58 16.583 -1.039 -8.240 1.00 1.16 C ATOM 961 CZ PHE A 58 16.521 0.042 -7.385 1.00 0.93 C ATOM 0 H PHE A 58 13.020 -5.488 -5.918 1.00 0.35 H new ATOM 0 HA PHE A 58 12.534 -2.777 -6.081 1.00 0.36 H new ATOM 0 HB2 PHE A 58 14.645 -3.798 -5.330 1.00 0.38 H new ATOM 0 HB3 PHE A 58 14.955 -4.411 -6.942 1.00 0.38 H new ATOM 0 HD1 PHE A 58 14.603 -1.293 -4.967 1.00 1.52 H new ATOM 0 HD2 PHE A 58 15.982 -3.051 -8.589 1.00 1.12 H new ATOM 0 HE1 PHE A 58 15.759 0.794 -5.540 1.00 1.68 H new ATOM 0 HE2 PHE A 58 17.141 -0.968 -9.162 1.00 1.16 H new ATOM 0 HZ PHE A 58 17.030 0.960 -7.637 1.00 0.93 H new ATOM 971 N GLN A 59 13.027 -4.176 -9.015 1.00 0.45 N ATOM 972 CA GLN A 59 12.889 -3.993 -10.448 1.00 0.52 C ATOM 973 C GLN A 59 11.426 -3.793 -10.825 1.00 0.52 C ATOM 974 O GLN A 59 11.113 -3.184 -11.847 1.00 0.57 O ATOM 975 CB GLN A 59 13.465 -5.204 -11.182 1.00 0.58 C ATOM 976 CG GLN A 59 14.949 -5.430 -10.921 1.00 0.61 C ATOM 977 CD GLN A 59 15.803 -4.203 -11.195 1.00 1.10 C ATOM 978 OE1 GLN A 59 16.815 -3.985 -10.526 1.00 1.92 O ATOM 979 NE2 GLN A 59 15.422 -3.408 -12.184 1.00 1.63 N ATOM 0 H GLN A 59 13.319 -5.114 -8.739 1.00 0.45 H new ATOM 0 HA GLN A 59 13.442 -3.101 -10.743 1.00 0.52 H new ATOM 0 HB2 GLN A 59 12.913 -6.095 -10.883 1.00 0.58 H new ATOM 0 HB3 GLN A 59 13.309 -5.076 -12.253 1.00 0.58 H new ATOM 0 HG2 GLN A 59 15.086 -5.735 -9.883 1.00 0.61 H new ATOM 0 HG3 GLN A 59 15.299 -6.254 -11.544 1.00 0.61 H new ATOM 0 HE21 GLN A 59 14.578 -3.623 -12.715 1.00 1.63 H new ATOM 0 HE22 GLN A 59 15.973 -2.581 -12.415 1.00 1.63 H new ATOM 988 N GLY A 60 10.535 -4.310 -9.989 1.00 0.48 N ATOM 989 CA GLY A 60 9.116 -4.133 -10.208 1.00 0.49 C ATOM 990 C GLY A 60 8.644 -2.744 -9.823 1.00 0.47 C ATOM 991 O GLY A 60 7.654 -2.249 -10.365 1.00 0.53 O ATOM 0 H GLY A 60 10.774 -4.852 -9.158 1.00 0.48 H new ATOM 0 HA2 GLY A 60 8.887 -4.314 -11.258 1.00 0.49 H new ATOM 0 HA3 GLY A 60 8.566 -4.875 -9.629 1.00 0.49 H new ATOM 995 N LEU A 61 9.352 -2.104 -8.894 1.00 0.42 N ATOM 996 CA LEU A 61 8.988 -0.764 -8.455 1.00 0.44 C ATOM 997 C LEU A 61 9.719 0.258 -9.297 1.00 0.51 C ATOM 998 O LEU A 61 9.147 1.268 -9.697 1.00 0.58 O ATOM 999 CB LEU A 61 9.340 -0.524 -6.984 1.00 0.39 C ATOM 1000 CG LEU A 61 9.468 -1.762 -6.107 1.00 0.34 C ATOM 1001 CD1 LEU A 61 9.988 -1.363 -4.736 1.00 0.31 C ATOM 1002 CD2 LEU A 61 8.131 -2.480 -5.982 1.00 0.35 C ATOM 0 H LEU A 61 10.176 -2.492 -8.435 1.00 0.42 H new ATOM 0 HA LEU A 61 7.909 -0.666 -8.570 1.00 0.44 H new ATOM 0 HB2 LEU A 61 10.282 0.022 -6.943 1.00 0.39 H new ATOM 0 HB3 LEU A 61 8.577 0.123 -6.552 1.00 0.39 H new ATOM 0 HG LEU A 61 10.174 -2.450 -6.572 1.00 0.34 H new ATOM 0 HD11 LEU A 61 10.079 -2.250 -4.109 1.00 0.31 H new ATOM 0 HD12 LEU A 61 10.965 -0.891 -4.841 1.00 0.31 H new ATOM 0 HD13 LEU A 61 9.294 -0.662 -4.273 1.00 0.31 H new ATOM 0 HD21 LEU A 61 8.249 -3.361 -5.351 1.00 0.35 H new ATOM 0 HD22 LEU A 61 7.398 -1.809 -5.535 1.00 0.35 H new ATOM 0 HD23 LEU A 61 7.788 -2.785 -6.971 1.00 0.35 H new ATOM 1014 N ASP A 62 10.990 -0.020 -9.554 1.00 0.50 N ATOM 1015 CA ASP A 62 11.840 0.868 -10.336 1.00 0.59 C ATOM 1016 C ASP A 62 11.446 0.819 -11.806 1.00 0.70 C ATOM 1017 O ASP A 62 12.119 0.207 -12.637 1.00 0.75 O ATOM 1018 CB ASP A 62 13.316 0.497 -10.157 1.00 0.57 C ATOM 1019 CG ASP A 62 14.255 1.376 -10.971 1.00 0.64 C ATOM 1020 OD1 ASP A 62 14.150 2.618 -10.884 1.00 1.40 O ATOM 1021 OD2 ASP A 62 15.113 0.824 -11.691 1.00 1.11 O ATOM 0 H ASP A 62 11.460 -0.864 -9.228 1.00 0.50 H new ATOM 0 HA ASP A 62 11.700 1.887 -9.976 1.00 0.59 H new ATOM 0 HB2 ASP A 62 13.579 0.574 -9.102 1.00 0.57 H new ATOM 0 HB3 ASP A 62 13.461 -0.544 -10.446 1.00 0.57 H new ATOM 1026 N ALA A 63 10.331 1.457 -12.106 1.00 0.78 N ATOM 1027 CA ALA A 63 9.841 1.565 -13.467 1.00 0.94 C ATOM 1028 C ALA A 63 10.708 2.531 -14.258 1.00 1.12 C ATOM 1029 O ALA A 63 10.688 2.546 -15.489 1.00 1.30 O ATOM 1030 CB ALA A 63 8.396 2.026 -13.465 1.00 0.99 C ATOM 0 H ALA A 63 9.739 1.915 -11.413 1.00 0.78 H new ATOM 0 HA ALA A 63 9.891 0.585 -13.942 1.00 0.94 H new ATOM 0 HB1 ALA A 63 8.038 2.104 -14.491 1.00 0.99 H new ATOM 0 HB2 ALA A 63 7.785 1.306 -12.921 1.00 0.99 H new ATOM 0 HB3 ALA A 63 8.326 3.000 -12.981 1.00 0.99 H new ATOM 1036 N ASN A 64 11.481 3.329 -13.532 1.00 1.09 N ATOM 1037 CA ASN A 64 12.375 4.298 -14.145 1.00 1.28 C ATOM 1038 C ASN A 64 13.577 3.589 -14.745 1.00 1.21 C ATOM 1039 O ASN A 64 14.244 4.110 -15.638 1.00 1.37 O ATOM 1040 CB ASN A 64 12.864 5.315 -13.108 1.00 1.34 C ATOM 1041 CG ASN A 64 11.747 5.876 -12.255 1.00 2.03 C ATOM 1042 OD1 ASN A 64 11.080 6.839 -12.633 1.00 2.55 O ATOM 1043 ND2 ASN A 64 11.552 5.289 -11.084 1.00 2.80 N ATOM 0 H ASN A 64 11.505 3.322 -12.512 1.00 1.09 H new ATOM 0 HA ASN A 64 11.824 4.820 -14.927 1.00 1.28 H new ATOM 0 HB2 ASN A 64 13.603 4.840 -12.462 1.00 1.34 H new ATOM 0 HB3 ASN A 64 13.368 6.134 -13.621 1.00 1.34 H new ATOM 0 HD21 ASN A 64 10.826 5.633 -10.456 1.00 2.80 H new ATOM 0 HD22 ASN A 64 12.128 4.493 -10.810 1.00 2.80 H new ATOM 1050 N GLN A 65 13.824 2.376 -14.245 1.00 1.03 N ATOM 1051 CA GLN A 65 14.943 1.546 -14.677 1.00 1.05 C ATOM 1052 C GLN A 65 16.273 2.242 -14.415 1.00 1.04 C ATOM 1053 O GLN A 65 17.263 1.987 -15.096 1.00 1.17 O ATOM 1054 CB GLN A 65 14.805 1.177 -16.154 1.00 1.31 C ATOM 1055 CG GLN A 65 13.585 0.322 -16.447 1.00 1.37 C ATOM 1056 CD GLN A 65 13.451 -0.036 -17.913 1.00 2.03 C ATOM 1057 OE1 GLN A 65 14.572 -0.168 -18.602 1.00 2.72 O flip ATOM 1058 NE2 GLN A 65 12.343 -0.208 -18.419 1.00 2.57 N flip ATOM 0 H GLN A 65 13.247 1.942 -13.524 1.00 1.03 H new ATOM 0 HA GLN A 65 14.925 0.626 -14.093 1.00 1.05 H new ATOM 0 HB2 GLN A 65 14.751 2.090 -16.746 1.00 1.31 H new ATOM 0 HB3 GLN A 65 15.700 0.643 -16.473 1.00 1.31 H new ATOM 0 HG2 GLN A 65 13.640 -0.594 -15.859 1.00 1.37 H new ATOM 0 HG3 GLN A 65 12.690 0.854 -16.125 1.00 1.37 H new ATOM 0 HE21 GLN A 65 11.501 -0.097 -17.854 1.00 2.57 H new ATOM 0 HE22 GLN A 65 12.266 -0.462 -19.404 1.00 2.57 H new ATOM 1067 N ASP A 66 16.286 3.105 -13.408 1.00 0.93 N ATOM 1068 CA ASP A 66 17.483 3.859 -13.054 1.00 0.95 C ATOM 1069 C ASP A 66 17.972 3.454 -11.675 1.00 0.81 C ATOM 1070 O ASP A 66 18.864 4.087 -11.107 1.00 0.82 O ATOM 1071 CB ASP A 66 17.220 5.369 -13.076 1.00 1.06 C ATOM 1072 CG ASP A 66 17.170 5.944 -14.475 1.00 1.42 C ATOM 1073 OD1 ASP A 66 18.240 6.057 -15.114 1.00 1.89 O ATOM 1074 OD2 ASP A 66 16.070 6.322 -14.934 1.00 2.13 O ATOM 0 H ASP A 66 15.477 3.302 -12.819 1.00 0.93 H new ATOM 0 HA ASP A 66 18.247 3.630 -13.797 1.00 0.95 H new ATOM 0 HB2 ASP A 66 16.276 5.574 -12.572 1.00 1.06 H new ATOM 0 HB3 ASP A 66 18.001 5.876 -12.509 1.00 1.06 H new ATOM 1079 N GLU A 67 17.370 2.393 -11.149 1.00 0.73 N ATOM 1080 CA GLU A 67 17.675 1.895 -9.817 1.00 0.63 C ATOM 1081 C GLU A 67 17.346 2.946 -8.766 1.00 0.58 C ATOM 1082 O GLU A 67 18.173 3.273 -7.911 1.00 0.60 O ATOM 1083 CB GLU A 67 19.141 1.456 -9.708 1.00 0.68 C ATOM 1084 CG GLU A 67 19.448 0.188 -10.489 1.00 0.97 C ATOM 1085 CD GLU A 67 20.899 -0.221 -10.397 1.00 1.42 C ATOM 1086 OE1 GLU A 67 21.260 -0.947 -9.444 1.00 2.02 O ATOM 1087 OE2 GLU A 67 21.687 0.158 -11.285 1.00 2.01 O ATOM 0 H GLU A 67 16.655 1.854 -11.638 1.00 0.73 H new ATOM 0 HA GLU A 67 17.053 1.018 -9.636 1.00 0.63 H new ATOM 0 HB2 GLU A 67 19.782 2.261 -10.068 1.00 0.68 H new ATOM 0 HB3 GLU A 67 19.389 1.297 -8.658 1.00 0.68 H new ATOM 0 HG2 GLU A 67 18.823 -0.623 -10.116 1.00 0.97 H new ATOM 0 HG3 GLU A 67 19.184 0.339 -11.536 1.00 0.97 H new ATOM 1094 N GLN A 68 16.129 3.470 -8.830 1.00 0.61 N ATOM 1095 CA GLN A 68 15.692 4.478 -7.880 1.00 0.65 C ATOM 1096 C GLN A 68 14.244 4.248 -7.453 1.00 0.66 C ATOM 1097 O GLN A 68 13.319 4.310 -8.265 1.00 0.78 O ATOM 1098 CB GLN A 68 15.857 5.879 -8.486 1.00 0.85 C ATOM 1099 CG GLN A 68 15.189 6.050 -9.843 1.00 1.38 C ATOM 1100 CD GLN A 68 15.348 7.449 -10.410 1.00 1.63 C ATOM 1101 OE1 GLN A 68 16.467 8.089 -10.111 1.00 2.16 O flip ATOM 1102 NE2 GLN A 68 14.478 7.943 -11.129 1.00 2.07 N flip ATOM 0 H GLN A 68 15.431 3.213 -9.528 1.00 0.61 H new ATOM 0 HA GLN A 68 16.317 4.399 -6.990 1.00 0.65 H new ATOM 0 HB2 GLN A 68 15.444 6.614 -7.794 1.00 0.85 H new ATOM 0 HB3 GLN A 68 16.920 6.097 -8.586 1.00 0.85 H new ATOM 0 HG2 GLN A 68 15.612 5.330 -10.543 1.00 1.38 H new ATOM 0 HG3 GLN A 68 14.128 5.820 -9.751 1.00 1.38 H new ATOM 0 HE21 GLN A 68 13.629 7.417 -11.336 1.00 2.07 H new ATOM 0 HE22 GLN A 68 14.607 8.878 -11.517 1.00 2.07 H new ATOM 1111 N VAL A 69 14.058 3.980 -6.171 1.00 0.59 N ATOM 1112 CA VAL A 69 12.729 3.836 -5.603 1.00 0.64 C ATOM 1113 C VAL A 69 12.279 5.134 -4.935 1.00 0.64 C ATOM 1114 O VAL A 69 12.893 5.603 -3.979 1.00 0.68 O ATOM 1115 CB VAL A 69 12.680 2.675 -4.582 1.00 0.72 C ATOM 1116 CG1 VAL A 69 11.376 2.680 -3.801 1.00 1.81 C ATOM 1117 CG2 VAL A 69 12.856 1.344 -5.291 1.00 1.22 C ATOM 0 H VAL A 69 14.817 3.857 -5.500 1.00 0.59 H new ATOM 0 HA VAL A 69 12.047 3.606 -6.421 1.00 0.64 H new ATOM 0 HB VAL A 69 13.498 2.816 -3.876 1.00 0.72 H new ATOM 0 HG11 VAL A 69 11.373 1.852 -3.092 1.00 1.81 H new ATOM 0 HG12 VAL A 69 11.280 3.621 -3.260 1.00 1.81 H new ATOM 0 HG13 VAL A 69 10.539 2.570 -4.490 1.00 1.81 H new ATOM 0 HG21 VAL A 69 12.820 0.535 -4.561 1.00 1.22 H new ATOM 0 HG22 VAL A 69 12.056 1.211 -6.020 1.00 1.22 H new ATOM 0 HG23 VAL A 69 13.819 1.328 -5.802 1.00 1.22 H new ATOM 1127 N ASP A 70 11.230 5.727 -5.480 1.00 0.67 N ATOM 1128 CA ASP A 70 10.590 6.887 -4.867 1.00 0.73 C ATOM 1129 C ASP A 70 9.469 6.405 -3.953 1.00 0.64 C ATOM 1130 O ASP A 70 9.173 5.216 -3.946 1.00 0.56 O ATOM 1131 CB ASP A 70 10.036 7.818 -5.958 1.00 0.84 C ATOM 1132 CG ASP A 70 9.341 9.053 -5.414 1.00 1.38 C ATOM 1133 OD1 ASP A 70 10.025 10.064 -5.152 1.00 2.02 O ATOM 1134 OD2 ASP A 70 8.102 9.018 -5.244 1.00 1.99 O ATOM 0 H ASP A 70 10.798 5.424 -6.353 1.00 0.67 H new ATOM 0 HA ASP A 70 11.318 7.447 -4.280 1.00 0.73 H new ATOM 0 HB2 ASP A 70 10.855 8.129 -6.607 1.00 0.84 H new ATOM 0 HB3 ASP A 70 9.333 7.260 -6.577 1.00 0.84 H new ATOM 1139 N PHE A 71 8.849 7.296 -3.190 1.00 0.70 N ATOM 1140 CA PHE A 71 7.709 6.923 -2.355 1.00 0.66 C ATOM 1141 C PHE A 71 6.636 6.235 -3.196 1.00 0.55 C ATOM 1142 O PHE A 71 6.003 5.284 -2.753 1.00 0.48 O ATOM 1143 CB PHE A 71 7.110 8.151 -1.667 1.00 0.82 C ATOM 1144 CG PHE A 71 8.033 8.808 -0.679 1.00 1.12 C ATOM 1145 CD1 PHE A 71 9.026 9.677 -1.104 1.00 1.50 C ATOM 1146 CD2 PHE A 71 7.905 8.554 0.676 1.00 1.92 C ATOM 1147 CE1 PHE A 71 9.873 10.279 -0.196 1.00 1.76 C ATOM 1148 CE2 PHE A 71 8.750 9.154 1.590 1.00 2.17 C ATOM 1149 CZ PHE A 71 9.735 10.018 1.154 1.00 1.76 C ATOM 0 H PHE A 71 9.113 8.279 -3.130 1.00 0.70 H new ATOM 0 HA PHE A 71 8.066 6.233 -1.591 1.00 0.66 H new ATOM 0 HB2 PHE A 71 6.829 8.880 -2.427 1.00 0.82 H new ATOM 0 HB3 PHE A 71 6.194 7.857 -1.154 1.00 0.82 H new ATOM 0 HD1 PHE A 71 9.138 9.885 -2.158 1.00 1.50 H new ATOM 0 HD2 PHE A 71 7.136 7.879 1.022 1.00 1.92 H new ATOM 0 HE1 PHE A 71 10.643 10.954 -0.540 1.00 1.76 H new ATOM 0 HE2 PHE A 71 8.640 8.947 2.644 1.00 2.17 H new ATOM 0 HZ PHE A 71 10.396 10.489 1.867 1.00 1.76 H new ATOM 1159 N GLN A 72 6.447 6.730 -4.413 1.00 0.59 N ATOM 1160 CA GLN A 72 5.511 6.136 -5.359 1.00 0.56 C ATOM 1161 C GLN A 72 5.933 4.719 -5.761 1.00 0.49 C ATOM 1162 O GLN A 72 5.109 3.809 -5.835 1.00 0.47 O ATOM 1163 CB GLN A 72 5.421 7.014 -6.599 1.00 0.69 C ATOM 1164 CG GLN A 72 4.473 6.480 -7.645 1.00 0.74 C ATOM 1165 CD GLN A 72 4.608 7.204 -8.967 1.00 1.08 C ATOM 1166 OE1 GLN A 72 3.934 8.204 -9.211 1.00 1.66 O ATOM 1167 NE2 GLN A 72 5.485 6.707 -9.824 1.00 1.66 N ATOM 0 H GLN A 72 6.936 7.551 -4.771 1.00 0.59 H new ATOM 0 HA GLN A 72 4.537 6.068 -4.874 1.00 0.56 H new ATOM 0 HB2 GLN A 72 5.100 8.013 -6.305 1.00 0.69 H new ATOM 0 HB3 GLN A 72 6.414 7.114 -7.037 1.00 0.69 H new ATOM 0 HG2 GLN A 72 4.662 5.417 -7.795 1.00 0.74 H new ATOM 0 HG3 GLN A 72 3.448 6.574 -7.285 1.00 0.74 H new ATOM 0 HE21 GLN A 72 6.022 5.875 -9.579 1.00 1.66 H new ATOM 0 HE22 GLN A 72 5.624 7.156 -10.730 1.00 1.66 H new ATOM 1176 N GLU A 73 7.211 4.536 -6.028 1.00 0.49 N ATOM 1177 CA GLU A 73 7.722 3.227 -6.416 1.00 0.46 C ATOM 1178 C GLU A 73 7.713 2.296 -5.204 1.00 0.36 C ATOM 1179 O GLU A 73 7.433 1.104 -5.312 1.00 0.32 O ATOM 1180 CB GLU A 73 9.131 3.362 -6.993 1.00 0.56 C ATOM 1181 CG GLU A 73 9.271 4.488 -8.016 1.00 0.78 C ATOM 1182 CD GLU A 73 8.397 4.307 -9.248 1.00 1.15 C ATOM 1183 OE1 GLU A 73 7.156 4.429 -9.137 1.00 1.99 O ATOM 1184 OE2 GLU A 73 8.949 4.067 -10.340 1.00 1.82 O ATOM 0 H GLU A 73 7.916 5.272 -5.985 1.00 0.49 H new ATOM 0 HA GLU A 73 7.082 2.800 -7.188 1.00 0.46 H new ATOM 0 HB2 GLU A 73 9.833 3.535 -6.177 1.00 0.56 H new ATOM 0 HB3 GLU A 73 9.414 2.420 -7.462 1.00 0.56 H new ATOM 0 HG2 GLU A 73 9.018 5.435 -7.538 1.00 0.78 H new ATOM 0 HG3 GLU A 73 10.313 4.556 -8.328 1.00 0.78 H new ATOM 1191 N PHE A 74 8.001 2.868 -4.044 1.00 0.37 N ATOM 1192 CA PHE A 74 7.908 2.158 -2.778 1.00 0.34 C ATOM 1193 C PHE A 74 6.459 1.779 -2.512 1.00 0.32 C ATOM 1194 O PHE A 74 6.168 0.796 -1.835 1.00 0.33 O ATOM 1195 CB PHE A 74 8.444 3.041 -1.650 1.00 0.43 C ATOM 1196 CG PHE A 74 8.603 2.342 -0.332 1.00 0.78 C ATOM 1197 CD1 PHE A 74 9.792 1.708 -0.012 1.00 1.31 C ATOM 1198 CD2 PHE A 74 7.572 2.331 0.594 1.00 1.44 C ATOM 1199 CE1 PHE A 74 9.948 1.074 1.204 1.00 1.77 C ATOM 1200 CE2 PHE A 74 7.723 1.698 1.810 1.00 1.92 C ATOM 1201 CZ PHE A 74 8.912 1.069 2.117 1.00 1.89 C ATOM 0 H PHE A 74 8.306 3.837 -3.955 1.00 0.37 H new ATOM 0 HA PHE A 74 8.507 1.249 -2.825 1.00 0.34 H new ATOM 0 HB2 PHE A 74 9.410 3.445 -1.951 1.00 0.43 H new ATOM 0 HB3 PHE A 74 7.771 3.888 -1.518 1.00 0.43 H new ATOM 0 HD1 PHE A 74 10.606 1.710 -0.722 1.00 1.31 H new ATOM 0 HD2 PHE A 74 6.640 2.824 0.361 1.00 1.44 H new ATOM 0 HE1 PHE A 74 10.880 0.582 1.441 1.00 1.77 H new ATOM 0 HE2 PHE A 74 6.911 1.695 2.522 1.00 1.92 H new ATOM 0 HZ PHE A 74 9.032 0.574 3.069 1.00 1.89 H new ATOM 1211 N ILE A 75 5.558 2.567 -3.076 1.00 0.33 N ATOM 1212 CA ILE A 75 4.139 2.297 -3.000 1.00 0.35 C ATOM 1213 C ILE A 75 3.837 0.987 -3.703 1.00 0.34 C ATOM 1214 O ILE A 75 3.046 0.171 -3.222 1.00 0.36 O ATOM 1215 CB ILE A 75 3.341 3.459 -3.628 1.00 0.41 C ATOM 1216 CG1 ILE A 75 2.809 4.379 -2.545 1.00 0.49 C ATOM 1217 CG2 ILE A 75 2.211 2.959 -4.511 1.00 0.45 C ATOM 1218 CD1 ILE A 75 2.366 5.706 -3.086 1.00 0.67 C ATOM 0 H ILE A 75 5.794 3.411 -3.598 1.00 0.33 H new ATOM 0 HA ILE A 75 3.839 2.211 -1.956 1.00 0.35 H new ATOM 0 HB ILE A 75 4.023 4.021 -4.265 1.00 0.41 H new ATOM 0 HG12 ILE A 75 1.971 3.897 -2.043 1.00 0.49 H new ATOM 0 HG13 ILE A 75 3.583 4.536 -1.794 1.00 0.49 H new ATOM 0 HG21 ILE A 75 1.675 3.809 -4.933 1.00 0.45 H new ATOM 0 HG22 ILE A 75 2.621 2.352 -5.318 1.00 0.45 H new ATOM 0 HG23 ILE A 75 1.524 2.356 -3.917 1.00 0.45 H new ATOM 0 HD11 ILE A 75 1.994 6.326 -2.270 1.00 0.67 H new ATOM 0 HD12 ILE A 75 3.209 6.204 -3.565 1.00 0.67 H new ATOM 0 HD13 ILE A 75 1.572 5.554 -3.817 1.00 0.67 H new ATOM 1230 N SER A 76 4.498 0.783 -4.836 1.00 0.34 N ATOM 1231 CA SER A 76 4.402 -0.472 -5.545 1.00 0.36 C ATOM 1232 C SER A 76 4.884 -1.609 -4.653 1.00 0.31 C ATOM 1233 O SER A 76 4.283 -2.671 -4.624 1.00 0.33 O ATOM 1234 CB SER A 76 5.216 -0.420 -6.836 1.00 0.45 C ATOM 1235 OG SER A 76 4.818 0.678 -7.639 1.00 0.74 O ATOM 0 H SER A 76 5.104 1.474 -5.277 1.00 0.34 H new ATOM 0 HA SER A 76 3.359 -0.650 -5.808 1.00 0.36 H new ATOM 0 HB2 SER A 76 6.277 -0.337 -6.599 1.00 0.45 H new ATOM 0 HB3 SER A 76 5.085 -1.349 -7.391 1.00 0.45 H new ATOM 0 HG SER A 76 5.353 0.694 -8.460 1.00 0.74 H new ATOM 1241 N LEU A 77 5.952 -1.370 -3.896 1.00 0.28 N ATOM 1242 CA LEU A 77 6.453 -2.372 -2.958 1.00 0.26 C ATOM 1243 C LEU A 77 5.373 -2.768 -1.969 1.00 0.23 C ATOM 1244 O LEU A 77 5.169 -3.949 -1.706 1.00 0.23 O ATOM 1245 CB LEU A 77 7.665 -1.862 -2.180 1.00 0.30 C ATOM 1246 CG LEU A 77 7.967 -2.653 -0.903 1.00 0.38 C ATOM 1247 CD1 LEU A 77 8.414 -4.065 -1.242 1.00 1.11 C ATOM 1248 CD2 LEU A 77 9.012 -1.948 -0.061 1.00 1.15 C ATOM 0 H LEU A 77 6.483 -0.500 -3.913 1.00 0.28 H new ATOM 0 HA LEU A 77 6.751 -3.237 -3.550 1.00 0.26 H new ATOM 0 HB2 LEU A 77 8.540 -1.894 -2.830 1.00 0.30 H new ATOM 0 HB3 LEU A 77 7.501 -0.817 -1.917 1.00 0.30 H new ATOM 0 HG LEU A 77 7.049 -2.714 -0.318 1.00 0.38 H new ATOM 0 HD11 LEU A 77 8.624 -4.611 -0.322 1.00 1.11 H new ATOM 0 HD12 LEU A 77 7.624 -4.574 -1.794 1.00 1.11 H new ATOM 0 HD13 LEU A 77 9.315 -4.024 -1.853 1.00 1.11 H new ATOM 0 HD21 LEU A 77 9.208 -2.531 0.839 1.00 1.15 H new ATOM 0 HD22 LEU A 77 9.933 -1.846 -0.635 1.00 1.15 H new ATOM 0 HD23 LEU A 77 8.648 -0.960 0.219 1.00 1.15 H new ATOM 1260 N VAL A 78 4.686 -1.778 -1.424 1.00 0.24 N ATOM 1261 CA VAL A 78 3.633 -2.037 -0.459 1.00 0.25 C ATOM 1262 C VAL A 78 2.518 -2.815 -1.120 1.00 0.27 C ATOM 1263 O VAL A 78 1.863 -3.624 -0.490 1.00 0.28 O ATOM 1264 CB VAL A 78 3.049 -0.746 0.127 1.00 0.29 C ATOM 1265 CG1 VAL A 78 2.186 -1.067 1.330 1.00 0.33 C ATOM 1266 CG2 VAL A 78 4.154 0.230 0.493 1.00 0.31 C ATOM 0 H VAL A 78 4.838 -0.791 -1.633 1.00 0.24 H new ATOM 0 HA VAL A 78 4.078 -2.609 0.355 1.00 0.25 H new ATOM 0 HB VAL A 78 2.425 -0.270 -0.629 1.00 0.29 H new ATOM 0 HG11 VAL A 78 1.775 -0.144 1.740 1.00 0.33 H new ATOM 0 HG12 VAL A 78 1.371 -1.724 1.028 1.00 0.33 H new ATOM 0 HG13 VAL A 78 2.790 -1.564 2.089 1.00 0.33 H new ATOM 0 HG21 VAL A 78 3.715 1.138 0.907 1.00 0.31 H new ATOM 0 HG22 VAL A 78 4.811 -0.225 1.234 1.00 0.31 H new ATOM 0 HG23 VAL A 78 4.730 0.479 -0.398 1.00 0.31 H new ATOM 1276 N ALA A 79 2.315 -2.565 -2.401 1.00 0.31 N ATOM 1277 CA ALA A 79 1.357 -3.321 -3.178 1.00 0.35 C ATOM 1278 C ALA A 79 1.744 -4.797 -3.176 1.00 0.33 C ATOM 1279 O ALA A 79 0.929 -5.674 -2.891 1.00 0.33 O ATOM 1280 CB ALA A 79 1.308 -2.781 -4.599 1.00 0.43 C ATOM 0 H ALA A 79 2.805 -1.840 -2.925 1.00 0.31 H new ATOM 0 HA ALA A 79 0.367 -3.220 -2.734 1.00 0.35 H new ATOM 0 HB1 ALA A 79 0.585 -3.353 -5.181 1.00 0.43 H new ATOM 0 HB2 ALA A 79 1.010 -1.733 -4.580 1.00 0.43 H new ATOM 0 HB3 ALA A 79 2.294 -2.870 -5.056 1.00 0.43 H new ATOM 1286 N ILE A 80 3.010 -5.047 -3.476 1.00 0.32 N ATOM 1287 CA ILE A 80 3.581 -6.389 -3.424 1.00 0.32 C ATOM 1288 C ILE A 80 3.420 -6.984 -2.023 1.00 0.28 C ATOM 1289 O ILE A 80 3.030 -8.139 -1.859 1.00 0.31 O ATOM 1290 CB ILE A 80 5.091 -6.362 -3.808 1.00 0.34 C ATOM 1291 CG1 ILE A 80 5.290 -6.317 -5.332 1.00 0.38 C ATOM 1292 CG2 ILE A 80 5.836 -7.555 -3.225 1.00 0.36 C ATOM 1293 CD1 ILE A 80 4.694 -5.106 -6.014 1.00 0.40 C ATOM 0 H ILE A 80 3.672 -4.326 -3.763 1.00 0.32 H new ATOM 0 HA ILE A 80 3.045 -7.010 -4.142 1.00 0.32 H new ATOM 0 HB ILE A 80 5.505 -5.449 -3.380 1.00 0.34 H new ATOM 0 HG12 ILE A 80 6.358 -6.348 -5.546 1.00 0.38 H new ATOM 0 HG13 ILE A 80 4.852 -7.215 -5.768 1.00 0.38 H new ATOM 0 HG21 ILE A 80 6.886 -7.504 -3.513 1.00 0.36 H new ATOM 0 HG22 ILE A 80 5.756 -7.538 -2.138 1.00 0.36 H new ATOM 0 HG23 ILE A 80 5.400 -8.478 -3.606 1.00 0.36 H new ATOM 0 HD11 ILE A 80 4.884 -5.162 -7.086 1.00 0.40 H new ATOM 0 HD12 ILE A 80 3.619 -5.081 -5.837 1.00 0.40 H new ATOM 0 HD13 ILE A 80 5.149 -4.201 -5.611 1.00 0.40 H new ATOM 1305 N ALA A 81 3.693 -6.165 -1.026 1.00 0.23 N ATOM 1306 CA ALA A 81 3.729 -6.606 0.356 1.00 0.23 C ATOM 1307 C ALA A 81 2.331 -6.812 0.944 1.00 0.23 C ATOM 1308 O ALA A 81 2.143 -7.644 1.828 1.00 0.28 O ATOM 1309 CB ALA A 81 4.525 -5.607 1.170 1.00 0.24 C ATOM 0 H ALA A 81 3.897 -5.173 -1.151 1.00 0.23 H new ATOM 0 HA ALA A 81 4.215 -7.581 0.392 1.00 0.23 H new ATOM 0 HB1 ALA A 81 4.558 -5.930 2.211 1.00 0.24 H new ATOM 0 HB2 ALA A 81 5.540 -5.544 0.777 1.00 0.24 H new ATOM 0 HB3 ALA A 81 4.051 -4.627 1.109 1.00 0.24 H new ATOM 1315 N LEU A 82 1.359 -6.060 0.455 1.00 0.22 N ATOM 1316 CA LEU A 82 -0.022 -6.211 0.897 1.00 0.23 C ATOM 1317 C LEU A 82 -0.610 -7.496 0.342 1.00 0.24 C ATOM 1318 O LEU A 82 -1.357 -8.200 1.027 1.00 0.29 O ATOM 1319 CB LEU A 82 -0.867 -5.017 0.464 1.00 0.25 C ATOM 1320 CG LEU A 82 -0.567 -3.702 1.183 1.00 0.26 C ATOM 1321 CD1 LEU A 82 -1.373 -2.577 0.571 1.00 0.33 C ATOM 1322 CD2 LEU A 82 -0.871 -3.820 2.664 1.00 0.31 C ATOM 0 H LEU A 82 1.499 -5.336 -0.250 1.00 0.22 H new ATOM 0 HA LEU A 82 -0.029 -6.257 1.986 1.00 0.23 H new ATOM 0 HB2 LEU A 82 -0.728 -4.865 -0.606 1.00 0.25 H new ATOM 0 HB3 LEU A 82 -1.918 -5.263 0.618 1.00 0.25 H new ATOM 0 HG LEU A 82 0.494 -3.480 1.067 1.00 0.26 H new ATOM 0 HD11 LEU A 82 -1.151 -1.645 1.091 1.00 0.33 H new ATOM 0 HD12 LEU A 82 -1.113 -2.475 -0.483 1.00 0.33 H new ATOM 0 HD13 LEU A 82 -2.436 -2.799 0.663 1.00 0.33 H new ATOM 0 HD21 LEU A 82 -0.651 -2.873 3.157 1.00 0.31 H new ATOM 0 HD22 LEU A 82 -1.925 -4.064 2.801 1.00 0.31 H new ATOM 0 HD23 LEU A 82 -0.257 -4.608 3.100 1.00 0.31 H new ATOM 1334 N LYS A 83 -0.274 -7.806 -0.907 1.00 0.26 N ATOM 1335 CA LYS A 83 -0.622 -9.104 -1.466 1.00 0.33 C ATOM 1336 C LYS A 83 0.115 -10.187 -0.699 1.00 0.31 C ATOM 1337 O LYS A 83 -0.428 -11.240 -0.429 1.00 0.44 O ATOM 1338 CB LYS A 83 -0.282 -9.203 -2.957 1.00 0.42 C ATOM 1339 CG LYS A 83 -1.239 -8.480 -3.892 1.00 0.66 C ATOM 1340 CD LYS A 83 -2.707 -8.802 -3.626 1.00 1.04 C ATOM 1341 CE LYS A 83 -3.029 -10.221 -3.999 1.00 0.80 C ATOM 1342 NZ LYS A 83 -4.479 -10.518 -3.905 1.00 1.67 N ATOM 0 H LYS A 83 0.231 -7.186 -1.541 1.00 0.26 H new ATOM 0 HA LYS A 83 -1.700 -9.234 -1.371 1.00 0.33 H new ATOM 0 HB2 LYS A 83 0.721 -8.804 -3.111 1.00 0.42 H new ATOM 0 HB3 LYS A 83 -0.253 -10.256 -3.237 1.00 0.42 H new ATOM 0 HG2 LYS A 83 -1.087 -7.405 -3.795 1.00 0.66 H new ATOM 0 HG3 LYS A 83 -0.998 -8.744 -4.922 1.00 0.66 H new ATOM 0 HD2 LYS A 83 -2.932 -8.640 -2.572 1.00 1.04 H new ATOM 0 HD3 LYS A 83 -3.340 -8.121 -4.195 1.00 1.04 H new ATOM 0 HE2 LYS A 83 -2.687 -10.412 -5.016 1.00 0.80 H new ATOM 0 HE3 LYS A 83 -2.480 -10.899 -3.346 1.00 0.80 H new ATOM 0 HZ1 LYS A 83 -4.648 -11.509 -4.172 1.00 1.67 H new ATOM 0 HZ2 LYS A 83 -4.803 -10.363 -2.929 1.00 1.67 H new ATOM 0 HZ3 LYS A 83 -5.004 -9.891 -4.548 1.00 1.67 H new ATOM 1356 N ALA A 84 1.351 -9.906 -0.328 1.00 0.31 N ATOM 1357 CA ALA A 84 2.133 -10.830 0.479 1.00 0.35 C ATOM 1358 C ALA A 84 1.512 -11.028 1.858 1.00 0.33 C ATOM 1359 O ALA A 84 1.776 -12.022 2.521 1.00 0.40 O ATOM 1360 CB ALA A 84 3.562 -10.336 0.615 1.00 0.48 C ATOM 0 H ALA A 84 1.837 -9.043 -0.573 1.00 0.31 H new ATOM 0 HA ALA A 84 2.137 -11.794 -0.030 1.00 0.35 H new ATOM 0 HB1 ALA A 84 4.134 -11.038 1.222 1.00 0.48 H new ATOM 0 HB2 ALA A 84 4.015 -10.257 -0.373 1.00 0.48 H new ATOM 0 HB3 ALA A 84 3.564 -9.357 1.094 1.00 0.48 H new ATOM 1366 N ALA A 85 0.704 -10.071 2.290 1.00 0.30 N ATOM 1367 CA ALA A 85 0.076 -10.132 3.603 1.00 0.38 C ATOM 1368 C ALA A 85 -1.157 -11.039 3.606 1.00 0.44 C ATOM 1369 O ALA A 85 -1.257 -11.948 4.431 1.00 0.57 O ATOM 1370 CB ALA A 85 -0.284 -8.735 4.079 1.00 0.43 C ATOM 0 H ALA A 85 0.467 -9.240 1.749 1.00 0.30 H new ATOM 0 HA ALA A 85 0.797 -10.567 4.294 1.00 0.38 H new ATOM 0 HB1 ALA A 85 -0.753 -8.795 5.061 1.00 0.43 H new ATOM 0 HB2 ALA A 85 0.619 -8.129 4.144 1.00 0.43 H new ATOM 0 HB3 ALA A 85 -0.978 -8.278 3.373 1.00 0.43 H new ATOM 1376 N HIS A 86 -2.100 -10.796 2.696 1.00 0.44 N ATOM 1377 CA HIS A 86 -3.322 -11.607 2.650 1.00 0.59 C ATOM 1378 C HIS A 86 -3.105 -12.863 1.815 1.00 0.63 C ATOM 1379 O HIS A 86 -3.487 -13.962 2.206 1.00 0.72 O ATOM 1380 CB HIS A 86 -4.500 -10.819 2.082 1.00 0.69 C ATOM 1381 CG HIS A 86 -5.812 -11.517 2.292 1.00 1.28 C ATOM 1382 ND1 HIS A 86 -6.439 -12.265 1.321 1.00 2.06 N ATOM 1383 CD2 HIS A 86 -6.600 -11.597 3.388 1.00 2.11 C ATOM 1384 CE1 HIS A 86 -7.553 -12.774 1.811 1.00 2.66 C ATOM 1385 NE2 HIS A 86 -7.674 -12.385 3.064 1.00 2.68 N ATOM 0 H HIS A 86 -2.047 -10.060 1.992 1.00 0.44 H new ATOM 0 HA HIS A 86 -3.557 -11.889 3.676 1.00 0.59 H new ATOM 0 HB2 HIS A 86 -4.536 -9.836 2.551 1.00 0.69 H new ATOM 0 HB3 HIS A 86 -4.345 -10.657 1.015 1.00 0.69 H new ATOM 0 HD2 HIS A 86 -6.417 -11.127 4.343 1.00 2.11 H new ATOM 0 HE1 HIS A 86 -8.248 -13.403 1.276 1.00 2.66 H new ATOM 0 HE2 HIS A 86 -8.441 -12.630 3.690 1.00 2.68 H new ATOM 1394 N TYR A 87 -2.472 -12.676 0.670 1.00 0.58 N ATOM 1395 CA TYR A 87 -2.131 -13.757 -0.254 1.00 0.65 C ATOM 1396 C TYR A 87 -0.825 -14.414 0.197 1.00 0.62 C ATOM 1397 O TYR A 87 -0.064 -14.938 -0.619 1.00 0.66 O ATOM 1398 CB TYR A 87 -2.041 -13.235 -1.694 1.00 0.69 C ATOM 1399 CG TYR A 87 -2.039 -14.316 -2.753 1.00 0.87 C ATOM 1400 CD1 TYR A 87 -3.016 -15.303 -2.770 1.00 1.62 C ATOM 1401 CD2 TYR A 87 -1.068 -14.340 -3.745 1.00 1.44 C ATOM 1402 CE1 TYR A 87 -3.024 -16.284 -3.741 1.00 1.80 C ATOM 1403 CE2 TYR A 87 -1.067 -15.319 -4.720 1.00 1.55 C ATOM 1404 CZ TYR A 87 -2.046 -16.288 -4.713 1.00 1.29 C ATOM 1405 OH TYR A 87 -2.051 -17.262 -5.685 1.00 1.52 O ATOM 0 H TYR A 87 -2.173 -11.756 0.346 1.00 0.58 H new ATOM 0 HA TYR A 87 -2.918 -14.511 -0.240 1.00 0.65 H new ATOM 0 HB2 TYR A 87 -2.881 -12.565 -1.878 1.00 0.69 H new ATOM 0 HB3 TYR A 87 -1.132 -12.642 -1.796 1.00 0.69 H new ATOM 0 HD1 TYR A 87 -3.783 -15.303 -2.010 1.00 1.62 H new ATOM 0 HD2 TYR A 87 -0.300 -13.580 -3.755 1.00 1.44 H new ATOM 0 HE1 TYR A 87 -3.792 -17.044 -3.739 1.00 1.80 H new ATOM 0 HE2 TYR A 87 -0.303 -15.324 -5.483 1.00 1.55 H new ATOM 0 HH TYR A 87 -1.296 -17.121 -6.293 1.00 1.52 H new ATOM 1415 N HIS A 88 -0.548 -14.242 1.498 1.00 0.59 N ATOM 1416 CA HIS A 88 0.644 -14.738 2.224 1.00 0.62 C ATOM 1417 C HIS A 88 0.992 -16.221 1.967 1.00 0.69 C ATOM 1418 O HIS A 88 1.738 -16.826 2.736 1.00 0.75 O ATOM 1419 CB HIS A 88 0.377 -14.555 3.726 1.00 0.65 C ATOM 1420 CG HIS A 88 1.576 -14.206 4.559 1.00 1.54 C ATOM 1421 ND1 HIS A 88 1.589 -13.134 5.423 1.00 2.37 N ATOM 1422 CD2 HIS A 88 2.786 -14.800 4.688 1.00 2.40 C ATOM 1423 CE1 HIS A 88 2.748 -13.083 6.044 1.00 3.25 C ATOM 1424 NE2 HIS A 88 3.493 -14.082 5.618 1.00 3.26 N ATOM 0 H HIS A 88 -1.180 -13.726 2.110 1.00 0.59 H new ATOM 0 HA HIS A 88 1.497 -14.165 1.860 1.00 0.62 H new ATOM 0 HB2 HIS A 88 -0.371 -13.772 3.851 1.00 0.65 H new ATOM 0 HB3 HIS A 88 -0.058 -15.476 4.115 1.00 0.65 H new ATOM 0 HD2 HIS A 88 3.130 -15.676 4.158 1.00 2.40 H new ATOM 0 HE1 HIS A 88 3.039 -12.347 6.779 1.00 3.25 H new ATOM 0 HE2 HIS A 88 4.442 -14.288 5.929 1.00 3.26 H new ATOM 1433 N THR A 89 0.473 -16.802 0.906 1.00 0.73 N ATOM 1434 CA THR A 89 0.779 -18.176 0.570 1.00 0.81 C ATOM 1435 C THR A 89 2.049 -18.214 -0.283 1.00 0.72 C ATOM 1436 O THR A 89 2.951 -19.015 -0.037 1.00 1.05 O ATOM 1437 CB THR A 89 -0.415 -18.852 -0.156 1.00 0.97 C ATOM 1438 OG1 THR A 89 -0.080 -20.189 -0.540 1.00 1.26 O ATOM 1439 CG2 THR A 89 -0.848 -18.060 -1.386 1.00 0.89 C ATOM 0 H THR A 89 -0.166 -16.341 0.258 1.00 0.73 H new ATOM 0 HA THR A 89 0.953 -18.741 1.486 1.00 0.81 H new ATOM 0 HB THR A 89 -1.248 -18.875 0.547 1.00 0.97 H new ATOM 0 HG1 THR A 89 0.524 -20.166 -1.311 1.00 1.26 H new ATOM 0 HG21 THR A 89 -1.686 -18.565 -1.867 1.00 0.89 H new ATOM 0 HG22 THR A 89 -1.153 -17.058 -1.085 1.00 0.89 H new ATOM 0 HG23 THR A 89 -0.015 -17.991 -2.086 1.00 0.89 H new ATOM 1447 N HIS A 90 2.104 -17.306 -1.261 1.00 0.65 N ATOM 1448 CA HIS A 90 3.267 -17.096 -2.126 1.00 0.64 C ATOM 1449 C HIS A 90 2.871 -16.192 -3.282 1.00 0.93 C ATOM 1450 O HIS A 90 2.647 -16.648 -4.400 1.00 1.77 O ATOM 1451 CB HIS A 90 3.896 -18.400 -2.669 1.00 0.91 C ATOM 1452 CG HIS A 90 2.981 -19.292 -3.468 1.00 1.72 C ATOM 1453 ND1 HIS A 90 1.870 -19.977 -3.113 1.00 2.44 N flip ATOM 1454 CD2 HIS A 90 3.190 -19.580 -4.801 1.00 2.68 C flip ATOM 1455 CE1 HIS A 90 1.433 -20.654 -4.222 1.00 3.33 C flip ATOM 1456 NE2 HIS A 90 2.246 -20.395 -5.226 1.00 3.47 N flip ATOM 0 H HIS A 90 1.325 -16.684 -1.478 1.00 0.65 H new ATOM 0 HA HIS A 90 4.035 -16.631 -1.508 1.00 0.64 H new ATOM 0 HB2 HIS A 90 4.749 -18.136 -3.293 1.00 0.91 H new ATOM 0 HB3 HIS A 90 4.283 -18.972 -1.826 1.00 0.91 H new ATOM 0 HD2 HIS A 90 4.001 -19.197 -5.402 1.00 2.68 H new ATOM 0 HE1 HIS A 90 0.565 -21.295 -4.266 1.00 3.33 H new ATOM 0 HE2 HIS A 90 2.159 -20.764 -6.173 1.00 3.47 H new ATOM 1578 N GLU B 5 5.131 -6.459 9.801 1.00 1.20 N ATOM 1579 CA GLU B 5 4.038 -6.364 8.845 1.00 0.94 C ATOM 1580 C GLU B 5 2.783 -5.788 9.488 1.00 0.69 C ATOM 1581 O GLU B 5 1.691 -5.894 8.932 1.00 0.69 O ATOM 1582 CB GLU B 5 3.746 -7.738 8.245 1.00 1.39 C ATOM 1583 CG GLU B 5 3.641 -8.847 9.278 1.00 1.80 C ATOM 1584 CD GLU B 5 3.427 -10.206 8.649 1.00 2.48 C ATOM 1585 OE1 GLU B 5 4.353 -10.706 7.976 1.00 3.00 O ATOM 1586 OE2 GLU B 5 2.332 -10.781 8.823 1.00 3.10 O ATOM 0 HA GLU B 5 4.344 -5.684 8.050 1.00 0.94 H new ATOM 0 HB2 GLU B 5 2.814 -7.688 7.683 1.00 1.39 H new ATOM 0 HB3 GLU B 5 4.534 -7.989 7.535 1.00 1.39 H new ATOM 0 HG2 GLU B 5 4.551 -8.867 9.878 1.00 1.80 H new ATOM 0 HG3 GLU B 5 2.816 -8.630 9.957 1.00 1.80 H new ATOM 1593 N GLU B 6 2.951 -5.170 10.653 1.00 0.68 N ATOM 1594 CA GLU B 6 1.856 -4.487 11.343 1.00 0.67 C ATOM 1595 C GLU B 6 1.149 -3.512 10.404 1.00 0.54 C ATOM 1596 O GLU B 6 -0.064 -3.329 10.460 1.00 0.60 O ATOM 1597 CB GLU B 6 2.409 -3.726 12.550 1.00 0.78 C ATOM 1598 CG GLU B 6 1.361 -2.957 13.335 1.00 1.06 C ATOM 1599 CD GLU B 6 1.968 -2.080 14.408 1.00 1.78 C ATOM 1600 OE1 GLU B 6 2.282 -2.596 15.498 1.00 2.48 O ATOM 1601 OE2 GLU B 6 2.136 -0.866 14.166 1.00 2.51 O ATOM 0 H GLU B 6 3.843 -5.127 11.145 1.00 0.68 H new ATOM 0 HA GLU B 6 1.134 -5.233 11.675 1.00 0.67 H new ATOM 0 HB2 GLU B 6 2.900 -4.434 13.218 1.00 0.78 H new ATOM 0 HB3 GLU B 6 3.173 -3.029 12.207 1.00 0.78 H new ATOM 0 HG2 GLU B 6 0.780 -2.339 12.650 1.00 1.06 H new ATOM 0 HG3 GLU B 6 0.667 -3.661 13.795 1.00 1.06 H new ATOM 1608 N HIS B 7 1.925 -2.906 9.520 1.00 0.42 N ATOM 1609 CA HIS B 7 1.401 -1.919 8.596 1.00 0.38 C ATOM 1610 C HIS B 7 0.697 -2.603 7.431 1.00 0.35 C ATOM 1611 O HIS B 7 -0.436 -2.262 7.103 1.00 0.39 O ATOM 1612 CB HIS B 7 2.527 -1.018 8.087 1.00 0.43 C ATOM 1613 CG HIS B 7 3.227 -0.256 9.173 1.00 0.95 C ATOM 1614 ND1 HIS B 7 4.582 -0.361 9.415 1.00 1.73 N ATOM 1615 CD2 HIS B 7 2.753 0.628 10.082 1.00 1.60 C ATOM 1616 CE1 HIS B 7 4.908 0.424 10.426 1.00 2.16 C ATOM 1617 NE2 HIS B 7 3.819 1.033 10.846 1.00 2.03 N ATOM 0 H HIS B 7 2.925 -3.083 9.424 1.00 0.42 H new ATOM 0 HA HIS B 7 0.674 -1.301 9.123 1.00 0.38 H new ATOM 0 HB2 HIS B 7 3.257 -1.629 7.555 1.00 0.43 H new ATOM 0 HB3 HIS B 7 2.117 -0.311 7.366 1.00 0.43 H new ATOM 0 HD2 HIS B 7 1.729 0.953 10.186 1.00 1.60 H new ATOM 0 HE1 HIS B 7 5.899 0.546 10.838 1.00 2.16 H new ATOM 0 HE2 HIS B 7 3.774 1.700 11.617 1.00 2.03 H new ATOM 1626 N LEU B 8 1.373 -3.581 6.833 1.00 0.34 N ATOM 1627 CA LEU B 8 0.824 -4.337 5.709 1.00 0.33 C ATOM 1628 C LEU B 8 -0.446 -5.069 6.114 1.00 0.34 C ATOM 1629 O LEU B 8 -1.525 -4.819 5.575 1.00 0.34 O ATOM 1630 CB LEU B 8 1.850 -5.355 5.226 1.00 0.33 C ATOM 1631 CG LEU B 8 3.202 -4.763 4.826 1.00 0.33 C ATOM 1632 CD1 LEU B 8 4.157 -5.855 4.394 1.00 0.33 C ATOM 1633 CD2 LEU B 8 3.032 -3.731 3.721 1.00 0.33 C ATOM 0 H LEU B 8 2.311 -3.871 7.111 1.00 0.34 H new ATOM 0 HA LEU B 8 0.586 -3.634 4.910 1.00 0.33 H new ATOM 0 HB2 LEU B 8 2.010 -6.090 6.014 1.00 0.33 H new ATOM 0 HB3 LEU B 8 1.436 -5.889 4.371 1.00 0.33 H new ATOM 0 HG LEU B 8 3.626 -4.263 5.697 1.00 0.33 H new ATOM 0 HD11 LEU B 8 5.113 -5.412 4.114 1.00 0.33 H new ATOM 0 HD12 LEU B 8 4.308 -6.553 5.217 1.00 0.33 H new ATOM 0 HD13 LEU B 8 3.739 -6.387 3.539 1.00 0.33 H new ATOM 0 HD21 LEU B 8 4.006 -3.323 3.452 1.00 0.33 H new ATOM 0 HD22 LEU B 8 2.583 -4.204 2.848 1.00 0.33 H new ATOM 0 HD23 LEU B 8 2.385 -2.926 4.071 1.00 0.33 H new ATOM 1645 N GLU B 9 -0.318 -5.951 7.093 1.00 0.37 N ATOM 1646 CA GLU B 9 -1.433 -6.776 7.507 1.00 0.40 C ATOM 1647 C GLU B 9 -2.468 -5.940 8.244 1.00 0.40 C ATOM 1648 O GLU B 9 -3.637 -6.303 8.306 1.00 0.42 O ATOM 1649 CB GLU B 9 -0.958 -7.934 8.383 1.00 0.48 C ATOM 1650 CG GLU B 9 -2.048 -8.954 8.655 1.00 1.24 C ATOM 1651 CD GLU B 9 -1.572 -10.106 9.506 1.00 1.72 C ATOM 1652 OE1 GLU B 9 -1.472 -9.935 10.739 1.00 2.41 O ATOM 1653 OE2 GLU B 9 -1.294 -11.188 8.945 1.00 2.16 O ATOM 0 H GLU B 9 0.545 -6.111 7.612 1.00 0.37 H new ATOM 0 HA GLU B 9 -1.897 -7.194 6.614 1.00 0.40 H new ATOM 0 HB2 GLU B 9 -0.117 -8.429 7.897 1.00 0.48 H new ATOM 0 HB3 GLU B 9 -0.592 -7.540 9.331 1.00 0.48 H new ATOM 0 HG2 GLU B 9 -2.884 -8.462 9.152 1.00 1.24 H new ATOM 0 HG3 GLU B 9 -2.423 -9.339 7.707 1.00 1.24 H new ATOM 1660 N GLY B 10 -2.034 -4.813 8.794 1.00 0.41 N ATOM 1661 CA GLY B 10 -2.958 -3.898 9.430 1.00 0.43 C ATOM 1662 C GLY B 10 -3.960 -3.335 8.442 1.00 0.39 C ATOM 1663 O GLY B 10 -5.132 -3.162 8.766 1.00 0.44 O ATOM 0 H GLY B 10 -1.058 -4.517 8.810 1.00 0.41 H new ATOM 0 HA2 GLY B 10 -3.487 -4.414 10.231 1.00 0.43 H new ATOM 0 HA3 GLY B 10 -2.402 -3.081 9.890 1.00 0.43 H new ATOM 1667 N ILE B 11 -3.496 -3.054 7.230 1.00 0.34 N ATOM 1668 CA ILE B 11 -4.369 -2.561 6.172 1.00 0.33 C ATOM 1669 C ILE B 11 -5.266 -3.688 5.673 1.00 0.33 C ATOM 1670 O ILE B 11 -6.468 -3.503 5.465 1.00 0.38 O ATOM 1671 CB ILE B 11 -3.551 -1.982 4.999 1.00 0.36 C ATOM 1672 CG1 ILE B 11 -2.675 -0.834 5.495 1.00 0.41 C ATOM 1673 CG2 ILE B 11 -4.470 -1.511 3.882 1.00 0.50 C ATOM 1674 CD1 ILE B 11 -1.736 -0.280 4.449 1.00 1.16 C ATOM 0 H ILE B 11 -2.519 -3.159 6.956 1.00 0.34 H new ATOM 0 HA ILE B 11 -4.985 -1.761 6.584 1.00 0.33 H new ATOM 0 HB ILE B 11 -2.910 -2.767 4.598 1.00 0.36 H new ATOM 0 HG12 ILE B 11 -3.317 -0.030 5.854 1.00 0.41 H new ATOM 0 HG13 ILE B 11 -2.090 -1.179 6.347 1.00 0.41 H new ATOM 0 HG21 ILE B 11 -3.872 -1.106 3.065 1.00 0.50 H new ATOM 0 HG22 ILE B 11 -5.060 -2.352 3.518 1.00 0.50 H new ATOM 0 HG23 ILE B 11 -5.137 -0.737 4.262 1.00 0.50 H new ATOM 0 HD11 ILE B 11 -1.149 0.531 4.880 1.00 1.16 H new ATOM 0 HD12 ILE B 11 -1.067 -1.069 4.106 1.00 1.16 H new ATOM 0 HD13 ILE B 11 -2.313 0.098 3.605 1.00 1.16 H new ATOM 1686 N VAL B 12 -4.667 -4.860 5.511 1.00 0.33 N ATOM 1687 CA VAL B 12 -5.393 -6.062 5.115 1.00 0.38 C ATOM 1688 C VAL B 12 -6.500 -6.387 6.124 1.00 0.40 C ATOM 1689 O VAL B 12 -7.595 -6.820 5.755 1.00 0.46 O ATOM 1690 CB VAL B 12 -4.415 -7.248 4.980 1.00 0.45 C ATOM 1691 CG1 VAL B 12 -5.148 -8.569 4.836 1.00 0.57 C ATOM 1692 CG2 VAL B 12 -3.499 -7.019 3.791 1.00 0.48 C ATOM 0 H VAL B 12 -3.667 -5.006 5.650 1.00 0.33 H new ATOM 0 HA VAL B 12 -5.863 -5.882 4.148 1.00 0.38 H new ATOM 0 HB VAL B 12 -3.822 -7.304 5.893 1.00 0.45 H new ATOM 0 HG11 VAL B 12 -4.424 -9.379 4.744 1.00 0.57 H new ATOM 0 HG12 VAL B 12 -5.771 -8.737 5.715 1.00 0.57 H new ATOM 0 HG13 VAL B 12 -5.777 -8.541 3.946 1.00 0.57 H new ATOM 0 HG21 VAL B 12 -2.809 -7.857 3.697 1.00 0.48 H new ATOM 0 HG22 VAL B 12 -4.096 -6.936 2.883 1.00 0.48 H new ATOM 0 HG23 VAL B 12 -2.934 -6.099 3.939 1.00 0.48 H new ATOM 1702 N ASN B 13 -6.202 -6.153 7.393 1.00 0.42 N ATOM 1703 CA ASN B 13 -7.161 -6.334 8.476 1.00 0.49 C ATOM 1704 C ASN B 13 -8.357 -5.404 8.297 1.00 0.48 C ATOM 1705 O ASN B 13 -9.507 -5.830 8.396 1.00 0.59 O ATOM 1706 CB ASN B 13 -6.480 -6.059 9.820 1.00 0.62 C ATOM 1707 CG ASN B 13 -7.426 -6.145 11.003 1.00 0.75 C ATOM 1708 OD1 ASN B 13 -8.368 -6.938 11.012 1.00 1.31 O ATOM 1709 ND2 ASN B 13 -7.180 -5.326 12.012 1.00 1.42 N ATOM 0 H ASN B 13 -5.285 -5.831 7.703 1.00 0.42 H new ATOM 0 HA ASN B 13 -7.520 -7.363 8.456 1.00 0.49 H new ATOM 0 HB2 ASN B 13 -5.668 -6.773 9.961 1.00 0.62 H new ATOM 0 HB3 ASN B 13 -6.031 -5.066 9.795 1.00 0.62 H new ATOM 0 HD21 ASN B 13 -7.781 -5.337 12.836 1.00 1.42 H new ATOM 0 HD22 ASN B 13 -6.389 -4.683 11.966 1.00 1.42 H new ATOM 1716 N ILE B 14 -8.077 -4.138 8.003 1.00 0.48 N ATOM 1717 CA ILE B 14 -9.129 -3.138 7.852 1.00 0.57 C ATOM 1718 C ILE B 14 -10.030 -3.480 6.666 1.00 0.53 C ATOM 1719 O ILE B 14 -11.239 -3.237 6.705 1.00 0.61 O ATOM 1720 CB ILE B 14 -8.549 -1.715 7.690 1.00 0.68 C ATOM 1721 CG1 ILE B 14 -7.608 -1.381 8.852 1.00 1.33 C ATOM 1722 CG2 ILE B 14 -9.666 -0.682 7.617 1.00 1.13 C ATOM 1723 CD1 ILE B 14 -8.271 -1.429 10.216 1.00 2.06 C ATOM 0 H ILE B 14 -7.132 -3.780 7.865 1.00 0.48 H new ATOM 0 HA ILE B 14 -9.724 -3.152 8.765 1.00 0.57 H new ATOM 0 HB ILE B 14 -7.984 -1.687 6.758 1.00 0.68 H new ATOM 0 HG12 ILE B 14 -6.772 -2.080 8.841 1.00 1.33 H new ATOM 0 HG13 ILE B 14 -7.193 -0.385 8.696 1.00 1.33 H new ATOM 0 HG21 ILE B 14 -9.235 0.313 7.503 1.00 1.13 H new ATOM 0 HG22 ILE B 14 -10.307 -0.899 6.763 1.00 1.13 H new ATOM 0 HG23 ILE B 14 -10.256 -0.719 8.533 1.00 1.13 H new ATOM 0 HD11 ILE B 14 -7.539 -1.181 10.985 1.00 2.06 H new ATOM 0 HD12 ILE B 14 -9.089 -0.710 10.248 1.00 2.06 H new ATOM 0 HD13 ILE B 14 -8.661 -2.431 10.396 1.00 2.06 H new ATOM 1735 N PHE B 15 -9.443 -4.063 5.621 1.00 0.48 N ATOM 1736 CA PHE B 15 -10.221 -4.563 4.487 1.00 0.59 C ATOM 1737 C PHE B 15 -11.245 -5.580 4.982 1.00 0.61 C ATOM 1738 O PHE B 15 -12.420 -5.544 4.612 1.00 0.70 O ATOM 1739 CB PHE B 15 -9.297 -5.214 3.444 1.00 0.69 C ATOM 1740 CG PHE B 15 -9.992 -5.679 2.184 1.00 1.18 C ATOM 1741 CD1 PHE B 15 -10.845 -6.772 2.197 1.00 1.75 C ATOM 1742 CD2 PHE B 15 -9.779 -5.024 0.984 1.00 1.93 C ATOM 1743 CE1 PHE B 15 -11.472 -7.199 1.041 1.00 2.35 C ATOM 1744 CE2 PHE B 15 -10.402 -5.449 -0.176 1.00 2.54 C ATOM 1745 CZ PHE B 15 -11.248 -6.536 -0.146 1.00 2.58 C ATOM 0 H PHE B 15 -8.436 -4.200 5.536 1.00 0.48 H new ATOM 0 HA PHE B 15 -10.737 -3.726 4.016 1.00 0.59 H new ATOM 0 HB2 PHE B 15 -8.520 -4.500 3.171 1.00 0.69 H new ATOM 0 HB3 PHE B 15 -8.798 -6.068 3.903 1.00 0.69 H new ATOM 0 HD1 PHE B 15 -11.022 -7.298 3.124 1.00 1.75 H new ATOM 0 HD2 PHE B 15 -9.118 -4.170 0.952 1.00 1.93 H new ATOM 0 HE1 PHE B 15 -12.136 -8.050 1.068 1.00 2.35 H new ATOM 0 HE2 PHE B 15 -10.225 -4.928 -1.106 1.00 2.54 H new ATOM 0 HZ PHE B 15 -11.735 -6.868 -1.051 1.00 2.58 H new ATOM 1755 N HIS B 16 -10.786 -6.471 5.842 1.00 0.60 N ATOM 1756 CA HIS B 16 -11.626 -7.519 6.400 1.00 0.72 C ATOM 1757 C HIS B 16 -12.681 -6.925 7.337 1.00 0.75 C ATOM 1758 O HIS B 16 -13.705 -7.547 7.607 1.00 0.88 O ATOM 1759 CB HIS B 16 -10.749 -8.530 7.152 1.00 0.77 C ATOM 1760 CG HIS B 16 -11.406 -9.856 7.393 1.00 1.16 C ATOM 1761 ND1 HIS B 16 -11.595 -10.393 8.649 1.00 1.82 N ATOM 1762 CD2 HIS B 16 -11.884 -10.773 6.522 1.00 1.85 C ATOM 1763 CE1 HIS B 16 -12.158 -11.581 8.537 1.00 2.22 C ATOM 1764 NE2 HIS B 16 -12.345 -11.836 7.257 1.00 2.23 N ATOM 0 H HIS B 16 -9.822 -6.490 6.174 1.00 0.60 H new ATOM 0 HA HIS B 16 -12.146 -8.028 5.588 1.00 0.72 H new ATOM 0 HB2 HIS B 16 -9.831 -8.690 6.586 1.00 0.77 H new ATOM 0 HB3 HIS B 16 -10.461 -8.101 8.111 1.00 0.77 H new ATOM 0 HD2 HIS B 16 -11.900 -10.685 5.446 1.00 1.85 H new ATOM 0 HE1 HIS B 16 -12.421 -12.234 9.356 1.00 2.22 H new ATOM 0 HE2 HIS B 16 -12.764 -12.684 6.876 1.00 2.23 H new ATOM 1773 N GLN B 17 -12.418 -5.718 7.828 1.00 0.70 N ATOM 1774 CA GLN B 17 -13.281 -5.085 8.823 1.00 0.82 C ATOM 1775 C GLN B 17 -14.487 -4.357 8.215 1.00 0.93 C ATOM 1776 O GLN B 17 -15.589 -4.457 8.752 1.00 1.18 O ATOM 1777 CB GLN B 17 -12.480 -4.099 9.680 1.00 0.85 C ATOM 1778 CG GLN B 17 -11.409 -4.750 10.544 1.00 1.27 C ATOM 1779 CD GLN B 17 -11.964 -5.806 11.479 1.00 1.99 C ATOM 1780 OE1 GLN B 17 -12.377 -5.508 12.601 1.00 2.60 O ATOM 1781 NE2 GLN B 17 -11.965 -7.050 11.029 1.00 2.77 N ATOM 0 H GLN B 17 -11.612 -5.156 7.553 1.00 0.70 H new ATOM 0 HA GLN B 17 -13.669 -5.897 9.437 1.00 0.82 H new ATOM 0 HB2 GLN B 17 -12.007 -3.367 9.025 1.00 0.85 H new ATOM 0 HB3 GLN B 17 -13.169 -3.553 10.325 1.00 0.85 H new ATOM 0 HG2 GLN B 17 -10.656 -5.203 9.899 1.00 1.27 H new ATOM 0 HG3 GLN B 17 -10.906 -3.981 11.131 1.00 1.27 H new ATOM 0 HE21 GLN B 17 -11.614 -7.254 10.093 1.00 2.77 H new ATOM 0 HE22 GLN B 17 -12.317 -7.805 11.618 1.00 2.77 H new ATOM 1955 N LEU B 28 -17.289 -6.328 -3.008 1.00 1.15 N ATOM 1956 CA LEU B 28 -16.571 -5.243 -2.354 1.00 0.90 C ATOM 1957 C LEU B 28 -16.574 -4.023 -3.272 1.00 0.71 C ATOM 1958 O LEU B 28 -15.565 -3.686 -3.892 1.00 0.76 O ATOM 1959 CB LEU B 28 -15.129 -5.649 -2.003 1.00 1.66 C ATOM 1960 CG LEU B 28 -14.967 -6.807 -1.002 1.00 2.02 C ATOM 1961 CD1 LEU B 28 -15.892 -6.638 0.194 1.00 2.91 C ATOM 1962 CD2 LEU B 28 -15.196 -8.156 -1.670 1.00 2.37 C ATOM 0 HA LEU B 28 -17.075 -5.004 -1.417 1.00 0.90 H new ATOM 0 HB2 LEU B 28 -14.617 -5.921 -2.926 1.00 1.66 H new ATOM 0 HB3 LEU B 28 -14.617 -4.775 -1.600 1.00 1.66 H new ATOM 0 HG LEU B 28 -13.939 -6.780 -0.641 1.00 2.02 H new ATOM 0 HD11 LEU B 28 -15.753 -7.472 0.882 1.00 2.91 H new ATOM 0 HD12 LEU B 28 -15.659 -5.704 0.705 1.00 2.91 H new ATOM 0 HD13 LEU B 28 -16.927 -6.617 -0.147 1.00 2.91 H new ATOM 0 HD21 LEU B 28 -15.074 -8.951 -0.935 1.00 2.37 H new ATOM 0 HD22 LEU B 28 -16.205 -8.192 -2.080 1.00 2.37 H new ATOM 0 HD23 LEU B 28 -14.473 -8.291 -2.474 1.00 2.37 H new ATOM 1974 N SER B 29 -17.729 -3.382 -3.369 1.00 0.61 N ATOM 1975 CA SER B 29 -17.931 -2.293 -4.309 1.00 0.48 C ATOM 1976 C SER B 29 -17.751 -0.921 -3.651 1.00 0.44 C ATOM 1977 O SER B 29 -17.302 -0.833 -2.505 1.00 0.53 O ATOM 1978 CB SER B 29 -19.312 -2.411 -4.952 1.00 0.55 C ATOM 1979 OG SER B 29 -19.476 -3.679 -5.565 1.00 1.35 O ATOM 0 H SER B 29 -18.548 -3.601 -2.801 1.00 0.61 H new ATOM 0 HA SER B 29 -17.167 -2.374 -5.083 1.00 0.48 H new ATOM 0 HB2 SER B 29 -20.084 -2.265 -4.196 1.00 0.55 H new ATOM 0 HB3 SER B 29 -19.441 -1.624 -5.695 1.00 0.55 H new ATOM 0 HG SER B 29 -18.918 -3.728 -6.369 1.00 1.35 H new ATOM 1985 N LYS B 30 -18.094 0.141 -4.382 1.00 0.38 N ATOM 1986 CA LYS B 30 -17.777 1.509 -3.974 1.00 0.36 C ATOM 1987 C LYS B 30 -18.305 1.847 -2.581 1.00 0.36 C ATOM 1988 O LYS B 30 -17.640 2.552 -1.836 1.00 0.37 O ATOM 1989 CB LYS B 30 -18.335 2.507 -4.989 1.00 0.39 C ATOM 1990 CG LYS B 30 -17.693 3.887 -4.915 1.00 0.41 C ATOM 1991 CD LYS B 30 -18.483 4.921 -5.708 1.00 0.50 C ATOM 1992 CE LYS B 30 -18.783 4.467 -7.136 1.00 0.52 C ATOM 1993 NZ LYS B 30 -17.618 4.613 -8.049 1.00 1.32 N ATOM 0 H LYS B 30 -18.596 0.077 -5.268 1.00 0.38 H new ATOM 0 HA LYS B 30 -16.690 1.581 -3.938 1.00 0.36 H new ATOM 0 HB2 LYS B 30 -18.196 2.106 -5.993 1.00 0.39 H new ATOM 0 HB3 LYS B 30 -19.409 2.608 -4.832 1.00 0.39 H new ATOM 0 HG2 LYS B 30 -17.626 4.201 -3.873 1.00 0.41 H new ATOM 0 HG3 LYS B 30 -16.674 3.835 -5.299 1.00 0.41 H new ATOM 0 HD2 LYS B 30 -19.421 5.129 -5.193 1.00 0.50 H new ATOM 0 HD3 LYS B 30 -17.922 5.855 -5.739 1.00 0.50 H new ATOM 0 HE2 LYS B 30 -19.097 3.423 -7.121 1.00 0.52 H new ATOM 0 HE3 LYS B 30 -19.619 5.046 -7.527 1.00 0.52 H new ATOM 0 HZ1 LYS B 30 -17.865 4.243 -8.989 1.00 1.32 H new ATOM 0 HZ2 LYS B 30 -17.363 5.618 -8.129 1.00 1.32 H new ATOM 0 HZ3 LYS B 30 -16.810 4.080 -7.669 1.00 1.32 H new ATOM 2007 N GLY B 31 -19.483 1.342 -2.232 1.00 0.39 N ATOM 2008 CA GLY B 31 -20.069 1.650 -0.934 1.00 0.40 C ATOM 2009 C GLY B 31 -19.180 1.244 0.218 1.00 0.38 C ATOM 2010 O GLY B 31 -18.956 2.021 1.149 1.00 0.39 O ATOM 0 H GLY B 31 -20.044 0.726 -2.821 1.00 0.39 H new ATOM 0 HA2 GLY B 31 -20.268 2.720 -0.874 1.00 0.40 H new ATOM 0 HA3 GLY B 31 -21.029 1.142 -0.843 1.00 0.40 H new ATOM 2014 N GLU B 32 -18.664 0.030 0.142 1.00 0.44 N ATOM 2015 CA GLU B 32 -17.815 -0.517 1.187 1.00 0.50 C ATOM 2016 C GLU B 32 -16.520 0.276 1.290 1.00 0.42 C ATOM 2017 O GLU B 32 -16.030 0.567 2.384 1.00 0.44 O ATOM 2018 CB GLU B 32 -17.497 -1.975 0.881 1.00 0.67 C ATOM 2019 CG GLU B 32 -18.729 -2.836 0.642 1.00 0.96 C ATOM 2020 CD GLU B 32 -19.666 -2.876 1.831 1.00 1.58 C ATOM 2021 OE1 GLU B 32 -20.519 -1.971 1.953 1.00 2.10 O ATOM 2022 OE2 GLU B 32 -19.564 -3.818 2.644 1.00 2.43 O ATOM 0 H GLU B 32 -18.821 -0.603 -0.642 1.00 0.44 H new ATOM 0 HA GLU B 32 -18.345 -0.450 2.137 1.00 0.50 H new ATOM 0 HB2 GLU B 32 -16.857 -2.020 -0.000 1.00 0.67 H new ATOM 0 HB3 GLU B 32 -16.927 -2.395 1.710 1.00 0.67 H new ATOM 0 HG2 GLU B 32 -19.268 -2.455 -0.225 1.00 0.96 H new ATOM 0 HG3 GLU B 32 -18.414 -3.851 0.401 1.00 0.96 H new ATOM 2029 N LEU B 33 -15.984 0.623 0.131 1.00 0.38 N ATOM 2030 CA LEU B 33 -14.760 1.392 0.040 1.00 0.34 C ATOM 2031 C LEU B 33 -14.982 2.780 0.622 1.00 0.30 C ATOM 2032 O LEU B 33 -14.222 3.236 1.465 1.00 0.32 O ATOM 2033 CB LEU B 33 -14.345 1.496 -1.422 1.00 0.34 C ATOM 2034 CG LEU B 33 -12.927 2.003 -1.665 1.00 0.39 C ATOM 2035 CD1 LEU B 33 -11.914 0.959 -1.227 1.00 0.52 C ATOM 2036 CD2 LEU B 33 -12.727 2.362 -3.126 1.00 0.46 C ATOM 0 H LEU B 33 -16.388 0.378 -0.773 1.00 0.38 H new ATOM 0 HA LEU B 33 -13.970 0.898 0.605 1.00 0.34 H new ATOM 0 HB2 LEU B 33 -14.445 0.513 -1.881 1.00 0.34 H new ATOM 0 HB3 LEU B 33 -15.042 2.159 -1.934 1.00 0.34 H new ATOM 0 HG LEU B 33 -12.776 2.905 -1.072 1.00 0.39 H new ATOM 0 HD11 LEU B 33 -10.906 1.333 -1.406 1.00 0.52 H new ATOM 0 HD12 LEU B 33 -12.041 0.752 -0.164 1.00 0.52 H new ATOM 0 HD13 LEU B 33 -12.067 0.042 -1.796 1.00 0.52 H new ATOM 0 HD21 LEU B 33 -11.709 2.721 -3.276 1.00 0.46 H new ATOM 0 HD22 LEU B 33 -12.896 1.480 -3.744 1.00 0.46 H new ATOM 0 HD23 LEU B 33 -13.433 3.143 -3.409 1.00 0.46 H new ATOM 2048 N LYS B 34 -16.053 3.422 0.169 1.00 0.29 N ATOM 2049 CA LYS B 34 -16.451 4.743 0.638 1.00 0.31 C ATOM 2050 C LYS B 34 -16.553 4.770 2.155 1.00 0.35 C ATOM 2051 O LYS B 34 -16.058 5.692 2.803 1.00 0.41 O ATOM 2052 CB LYS B 34 -17.800 5.120 0.018 1.00 0.34 C ATOM 2053 CG LYS B 34 -18.443 6.351 0.640 1.00 0.53 C ATOM 2054 CD LYS B 34 -19.857 6.569 0.129 1.00 0.85 C ATOM 2055 CE LYS B 34 -20.488 7.790 0.777 1.00 1.30 C ATOM 2056 NZ LYS B 34 -21.917 7.948 0.400 1.00 1.87 N ATOM 0 H LYS B 34 -16.675 3.036 -0.541 1.00 0.29 H new ATOM 0 HA LYS B 34 -15.693 5.465 0.334 1.00 0.31 H new ATOM 0 HB2 LYS B 34 -17.662 5.294 -1.049 1.00 0.34 H new ATOM 0 HB3 LYS B 34 -18.483 4.276 0.117 1.00 0.34 H new ATOM 0 HG2 LYS B 34 -18.461 6.243 1.724 1.00 0.53 H new ATOM 0 HG3 LYS B 34 -17.837 7.229 0.418 1.00 0.53 H new ATOM 0 HD2 LYS B 34 -19.841 6.695 -0.954 1.00 0.85 H new ATOM 0 HD3 LYS B 34 -20.463 5.688 0.338 1.00 0.85 H new ATOM 0 HE2 LYS B 34 -20.407 7.707 1.861 1.00 1.30 H new ATOM 0 HE3 LYS B 34 -19.935 8.682 0.483 1.00 1.30 H new ATOM 0 HZ1 LYS B 34 -22.307 8.793 0.864 1.00 1.87 H new ATOM 0 HZ2 LYS B 34 -21.994 8.053 -0.632 1.00 1.87 H new ATOM 0 HZ3 LYS B 34 -22.451 7.109 0.703 1.00 1.87 H new ATOM 2070 N GLN B 35 -17.209 3.756 2.705 1.00 0.36 N ATOM 2071 CA GLN B 35 -17.322 3.601 4.141 1.00 0.43 C ATOM 2072 C GLN B 35 -15.943 3.651 4.786 1.00 0.43 C ATOM 2073 O GLN B 35 -15.661 4.565 5.549 1.00 0.50 O ATOM 2074 CB GLN B 35 -18.033 2.287 4.459 1.00 0.50 C ATOM 2075 CG GLN B 35 -18.306 2.096 5.935 1.00 1.07 C ATOM 2076 CD GLN B 35 -18.914 0.747 6.245 1.00 1.67 C ATOM 2077 OE1 GLN B 35 -20.134 0.582 6.240 1.00 2.45 O ATOM 2078 NE2 GLN B 35 -18.065 -0.222 6.535 1.00 2.06 N ATOM 0 H GLN B 35 -17.674 3.024 2.168 1.00 0.36 H new ATOM 0 HA GLN B 35 -17.912 4.421 4.550 1.00 0.43 H new ATOM 0 HB2 GLN B 35 -18.977 2.252 3.915 1.00 0.50 H new ATOM 0 HB3 GLN B 35 -17.426 1.457 4.099 1.00 0.50 H new ATOM 0 HG2 GLN B 35 -17.374 2.207 6.490 1.00 1.07 H new ATOM 0 HG3 GLN B 35 -18.978 2.881 6.281 1.00 1.07 H new ATOM 0 HE21 GLN B 35 -17.061 -0.040 6.527 1.00 2.06 H new ATOM 0 HE22 GLN B 35 -18.413 -1.152 6.767 1.00 2.06 H new ATOM 2087 N LEU B 36 -15.078 2.700 4.430 1.00 0.38 N ATOM 2088 CA LEU B 36 -13.723 2.639 4.968 1.00 0.39 C ATOM 2089 C LEU B 36 -13.013 3.978 4.804 1.00 0.38 C ATOM 2090 O LEU B 36 -12.447 4.510 5.743 1.00 0.45 O ATOM 2091 CB LEU B 36 -12.937 1.536 4.254 1.00 0.37 C ATOM 2092 CG LEU B 36 -11.472 1.386 4.668 1.00 0.40 C ATOM 2093 CD1 LEU B 36 -11.041 -0.054 4.517 1.00 0.45 C ATOM 2094 CD2 LEU B 36 -10.573 2.280 3.829 1.00 0.40 C ATOM 0 H LEU B 36 -15.297 1.957 3.766 1.00 0.38 H new ATOM 0 HA LEU B 36 -13.780 2.413 6.033 1.00 0.39 H new ATOM 0 HB2 LEU B 36 -13.443 0.586 4.427 1.00 0.37 H new ATOM 0 HB3 LEU B 36 -12.974 1.726 3.181 1.00 0.37 H new ATOM 0 HG LEU B 36 -11.380 1.688 5.711 1.00 0.40 H new ATOM 0 HD11 LEU B 36 -9.997 -0.154 4.813 1.00 0.45 H new ATOM 0 HD12 LEU B 36 -11.661 -0.688 5.151 1.00 0.45 H new ATOM 0 HD13 LEU B 36 -11.154 -0.360 3.477 1.00 0.45 H new ATOM 0 HD21 LEU B 36 -9.537 2.153 4.144 1.00 0.40 H new ATOM 0 HD22 LEU B 36 -10.668 2.008 2.778 1.00 0.40 H new ATOM 0 HD23 LEU B 36 -10.868 3.321 3.962 1.00 0.40 H new ATOM 2106 N LEU B 37 -13.066 4.513 3.604 1.00 0.34 N ATOM 2107 CA LEU B 37 -12.349 5.729 3.260 1.00 0.35 C ATOM 2108 C LEU B 37 -12.774 6.926 4.102 1.00 0.41 C ATOM 2109 O LEU B 37 -11.932 7.608 4.685 1.00 0.45 O ATOM 2110 CB LEU B 37 -12.552 6.029 1.782 1.00 0.34 C ATOM 2111 CG LEU B 37 -11.936 4.995 0.846 1.00 0.30 C ATOM 2112 CD1 LEU B 37 -12.273 5.297 -0.603 1.00 0.38 C ATOM 2113 CD2 LEU B 37 -10.436 4.938 1.054 1.00 0.32 C ATOM 0 H LEU B 37 -13.608 4.119 2.835 1.00 0.34 H new ATOM 0 HA LEU B 37 -11.293 5.559 3.472 1.00 0.35 H new ATOM 0 HB2 LEU B 37 -13.621 6.095 1.579 1.00 0.34 H new ATOM 0 HB3 LEU B 37 -12.124 7.006 1.559 1.00 0.34 H new ATOM 0 HG LEU B 37 -12.359 4.019 1.083 1.00 0.30 H new ATOM 0 HD11 LEU B 37 -11.820 4.543 -1.247 1.00 0.38 H new ATOM 0 HD12 LEU B 37 -13.355 5.285 -0.735 1.00 0.38 H new ATOM 0 HD13 LEU B 37 -11.886 6.281 -0.869 1.00 0.38 H new ATOM 0 HD21 LEU B 37 -10.003 4.197 0.382 1.00 0.32 H new ATOM 0 HD22 LEU B 37 -10.002 5.916 0.844 1.00 0.32 H new ATOM 0 HD23 LEU B 37 -10.222 4.660 2.086 1.00 0.32 H new ATOM 2125 N THR B 38 -14.070 7.172 4.176 1.00 0.45 N ATOM 2126 CA THR B 38 -14.579 8.350 4.857 1.00 0.53 C ATOM 2127 C THR B 38 -14.341 8.286 6.363 1.00 0.59 C ATOM 2128 O THR B 38 -14.229 9.319 7.022 1.00 0.67 O ATOM 2129 CB THR B 38 -16.083 8.551 4.585 1.00 0.56 C ATOM 2130 OG1 THR B 38 -16.798 7.333 4.835 1.00 1.23 O ATOM 2131 CG2 THR B 38 -16.320 8.993 3.151 1.00 1.03 C ATOM 0 H THR B 38 -14.790 6.572 3.773 1.00 0.45 H new ATOM 0 HA THR B 38 -14.027 9.200 4.455 1.00 0.53 H new ATOM 0 HB THR B 38 -16.446 9.330 5.256 1.00 0.56 H new ATOM 0 HG1 THR B 38 -16.687 6.726 4.073 1.00 1.23 H new ATOM 0 HG21 THR B 38 -17.389 9.128 2.984 1.00 1.03 H new ATOM 0 HG22 THR B 38 -15.802 9.935 2.970 1.00 1.03 H new ATOM 0 HG23 THR B 38 -15.939 8.233 2.468 1.00 1.03 H new ATOM 2139 N LYS B 39 -14.280 7.079 6.910 1.00 0.58 N ATOM 2140 CA LYS B 39 -14.113 6.918 8.348 1.00 0.67 C ATOM 2141 C LYS B 39 -12.660 6.670 8.756 1.00 0.65 C ATOM 2142 O LYS B 39 -12.239 7.081 9.836 1.00 0.72 O ATOM 2143 CB LYS B 39 -15.004 5.795 8.871 1.00 0.72 C ATOM 2144 CG LYS B 39 -14.715 4.444 8.249 1.00 0.68 C ATOM 2145 CD LYS B 39 -15.884 3.484 8.404 1.00 0.74 C ATOM 2146 CE LYS B 39 -16.149 3.149 9.863 1.00 0.87 C ATOM 2147 NZ LYS B 39 -15.029 2.379 10.471 1.00 1.62 N ATOM 0 H LYS B 39 -14.343 6.206 6.386 1.00 0.58 H new ATOM 0 HA LYS B 39 -14.415 7.862 8.801 1.00 0.67 H new ATOM 0 HB2 LYS B 39 -14.882 5.720 9.952 1.00 0.72 H new ATOM 0 HB3 LYS B 39 -16.046 6.054 8.685 1.00 0.72 H new ATOM 0 HG2 LYS B 39 -14.490 4.573 7.190 1.00 0.68 H new ATOM 0 HG3 LYS B 39 -13.828 4.013 8.714 1.00 0.68 H new ATOM 0 HD2 LYS B 39 -16.778 3.926 7.964 1.00 0.74 H new ATOM 0 HD3 LYS B 39 -15.677 2.567 7.852 1.00 0.74 H new ATOM 0 HE2 LYS B 39 -16.302 4.071 10.425 1.00 0.87 H new ATOM 0 HE3 LYS B 39 -17.070 2.572 9.941 1.00 0.87 H new ATOM 0 HZ1 LYS B 39 -15.350 1.941 11.358 1.00 1.62 H new ATOM 0 HZ2 LYS B 39 -14.719 1.637 9.811 1.00 1.62 H new ATOM 0 HZ3 LYS B 39 -14.234 3.020 10.669 1.00 1.62 H new ATOM 2161 N GLU B 40 -11.897 6.000 7.904 1.00 0.57 N ATOM 2162 CA GLU B 40 -10.556 5.569 8.276 1.00 0.58 C ATOM 2163 C GLU B 40 -9.496 6.488 7.692 1.00 0.56 C ATOM 2164 O GLU B 40 -8.588 6.928 8.389 1.00 0.64 O ATOM 2165 CB GLU B 40 -10.302 4.124 7.822 1.00 0.58 C ATOM 2166 CG GLU B 40 -11.226 3.101 8.466 1.00 0.88 C ATOM 2167 CD GLU B 40 -11.448 3.349 9.946 1.00 1.14 C ATOM 2168 OE1 GLU B 40 -10.460 3.455 10.699 1.00 1.67 O ATOM 2169 OE2 GLU B 40 -12.623 3.451 10.365 1.00 1.63 O ATOM 0 H GLU B 40 -12.180 5.744 6.958 1.00 0.57 H new ATOM 0 HA GLU B 40 -10.489 5.616 9.363 1.00 0.58 H new ATOM 0 HB2 GLU B 40 -10.415 4.069 6.739 1.00 0.58 H new ATOM 0 HB3 GLU B 40 -9.269 3.859 8.049 1.00 0.58 H new ATOM 0 HG2 GLU B 40 -12.188 3.115 7.953 1.00 0.88 H new ATOM 0 HG3 GLU B 40 -10.806 2.104 8.330 1.00 0.88 H new ATOM 2176 N LEU B 41 -9.622 6.803 6.417 1.00 0.50 N ATOM 2177 CA LEU B 41 -8.619 7.615 5.746 1.00 0.49 C ATOM 2178 C LEU B 41 -9.126 9.042 5.603 1.00 0.53 C ATOM 2179 O LEU B 41 -8.695 9.791 4.721 1.00 0.53 O ATOM 2180 CB LEU B 41 -8.271 7.019 4.377 1.00 0.43 C ATOM 2181 CG LEU B 41 -7.975 5.513 4.378 1.00 0.51 C ATOM 2182 CD1 LEU B 41 -7.455 5.069 3.021 1.00 1.22 C ATOM 2183 CD2 LEU B 41 -6.984 5.151 5.477 1.00 1.42 C ATOM 0 H LEU B 41 -10.402 6.513 5.827 1.00 0.50 H new ATOM 0 HA LEU B 41 -7.709 7.625 6.347 1.00 0.49 H new ATOM 0 HB2 LEU B 41 -9.099 7.210 3.694 1.00 0.43 H new ATOM 0 HB3 LEU B 41 -7.402 7.544 3.980 1.00 0.43 H new ATOM 0 HG LEU B 41 -8.908 4.986 4.579 1.00 0.51 H new ATOM 0 HD11 LEU B 41 -7.251 3.998 3.042 1.00 1.22 H new ATOM 0 HD12 LEU B 41 -8.203 5.281 2.257 1.00 1.22 H new ATOM 0 HD13 LEU B 41 -6.537 5.609 2.789 1.00 1.22 H new ATOM 0 HD21 LEU B 41 -6.792 4.078 5.455 1.00 1.42 H new ATOM 0 HD22 LEU B 41 -6.050 5.690 5.317 1.00 1.42 H new ATOM 0 HD23 LEU B 41 -7.400 5.425 6.447 1.00 1.42 H new ATOM 2195 N ALA B 42 -10.037 9.405 6.509 1.00 0.58 N ATOM 2196 CA ALA B 42 -10.696 10.711 6.510 1.00 0.64 C ATOM 2197 C ALA B 42 -9.705 11.872 6.508 1.00 0.71 C ATOM 2198 O ALA B 42 -10.013 12.960 6.018 1.00 0.78 O ATOM 2199 CB ALA B 42 -11.607 10.823 7.721 1.00 0.71 C ATOM 0 H ALA B 42 -10.340 8.795 7.268 1.00 0.58 H new ATOM 0 HA ALA B 42 -11.275 10.779 5.589 1.00 0.64 H new ATOM 0 HB1 ALA B 42 -12.097 11.797 7.719 1.00 0.71 H new ATOM 0 HB2 ALA B 42 -12.362 10.037 7.683 1.00 0.71 H new ATOM 0 HB3 ALA B 42 -11.017 10.715 8.631 1.00 0.71 H new ATOM 2205 N ASN B 43 -8.522 11.638 7.045 1.00 0.74 N ATOM 2206 CA ASN B 43 -7.551 12.704 7.239 1.00 0.83 C ATOM 2207 C ASN B 43 -6.434 12.653 6.200 1.00 0.83 C ATOM 2208 O ASN B 43 -5.695 13.621 6.026 1.00 1.07 O ATOM 2209 CB ASN B 43 -6.966 12.605 8.655 1.00 1.00 C ATOM 2210 CG ASN B 43 -5.930 13.675 8.960 1.00 1.28 C ATOM 2211 OD1 ASN B 43 -6.268 14.780 9.386 1.00 1.56 O ATOM 2212 ND2 ASN B 43 -4.662 13.349 8.762 1.00 2.16 N ATOM 0 H ASN B 43 -8.208 10.719 7.356 1.00 0.74 H new ATOM 0 HA ASN B 43 -8.063 13.658 7.115 1.00 0.83 H new ATOM 0 HB2 ASN B 43 -7.776 12.678 9.380 1.00 1.00 H new ATOM 0 HB3 ASN B 43 -6.511 11.623 8.784 1.00 1.00 H new ATOM 0 HD21 ASN B 43 -3.924 14.024 8.964 1.00 2.16 H new ATOM 0 HD22 ASN B 43 -4.423 12.423 8.408 1.00 2.16 H new ATOM 2219 N THR B 44 -6.344 11.557 5.467 1.00 0.65 N ATOM 2220 CA THR B 44 -5.162 11.295 4.669 1.00 0.61 C ATOM 2221 C THR B 44 -5.358 11.758 3.242 1.00 0.59 C ATOM 2222 O THR B 44 -4.678 12.666 2.760 1.00 0.66 O ATOM 2223 CB THR B 44 -4.841 9.796 4.669 1.00 0.55 C ATOM 2224 OG1 THR B 44 -5.118 9.257 5.964 1.00 0.65 O ATOM 2225 CG2 THR B 44 -3.381 9.557 4.316 1.00 0.52 C ATOM 0 H THR B 44 -7.068 10.841 5.408 1.00 0.65 H new ATOM 0 HA THR B 44 -4.334 11.848 5.112 1.00 0.61 H new ATOM 0 HB THR B 44 -5.460 9.303 3.920 1.00 0.55 H new ATOM 0 HG1 THR B 44 -4.967 9.946 6.644 1.00 0.65 H new ATOM 0 HG21 THR B 44 -3.176 8.487 4.322 1.00 0.52 H new ATOM 0 HG22 THR B 44 -3.176 9.960 3.324 1.00 0.52 H new ATOM 0 HG23 THR B 44 -2.744 10.053 5.048 1.00 0.52 H new ATOM 2233 N ILE B 45 -6.313 11.138 2.586 1.00 0.52 N ATOM 2234 CA ILE B 45 -6.585 11.405 1.193 1.00 0.51 C ATOM 2235 C ILE B 45 -7.376 12.697 1.066 1.00 0.59 C ATOM 2236 O ILE B 45 -8.311 12.930 1.835 1.00 0.60 O ATOM 2237 CB ILE B 45 -7.371 10.240 0.577 1.00 0.43 C ATOM 2238 CG1 ILE B 45 -6.612 8.918 0.777 1.00 0.39 C ATOM 2239 CG2 ILE B 45 -7.628 10.495 -0.905 1.00 0.47 C ATOM 2240 CD1 ILE B 45 -7.336 7.710 0.218 1.00 0.35 C ATOM 0 H ILE B 45 -6.922 10.435 3.004 1.00 0.52 H new ATOM 0 HA ILE B 45 -5.642 11.510 0.657 1.00 0.51 H new ATOM 0 HB ILE B 45 -8.334 10.164 1.083 1.00 0.43 H new ATOM 0 HG12 ILE B 45 -5.634 8.996 0.303 1.00 0.39 H new ATOM 0 HG13 ILE B 45 -6.439 8.766 1.842 1.00 0.39 H new ATOM 0 HG21 ILE B 45 -8.186 9.659 -1.327 1.00 0.47 H new ATOM 0 HG22 ILE B 45 -8.205 11.412 -1.022 1.00 0.47 H new ATOM 0 HG23 ILE B 45 -6.677 10.596 -1.427 1.00 0.47 H new ATOM 0 HD11 ILE B 45 -6.741 6.814 0.396 1.00 0.35 H new ATOM 0 HD12 ILE B 45 -8.303 7.606 0.709 1.00 0.35 H new ATOM 0 HD13 ILE B 45 -7.485 7.839 -0.854 1.00 0.35 H new ATOM 2252 N LYS B 46 -6.980 13.544 0.117 1.00 0.67 N ATOM 2253 CA LYS B 46 -7.610 14.845 -0.055 1.00 0.74 C ATOM 2254 C LYS B 46 -9.104 14.684 -0.267 1.00 0.68 C ATOM 2255 O LYS B 46 -9.534 13.926 -1.139 1.00 0.63 O ATOM 2256 CB LYS B 46 -6.981 15.619 -1.231 1.00 0.82 C ATOM 2257 CG LYS B 46 -7.505 15.237 -2.614 1.00 0.79 C ATOM 2258 CD LYS B 46 -8.657 16.142 -3.042 1.00 0.75 C ATOM 2259 CE LYS B 46 -9.178 15.770 -4.419 1.00 0.88 C ATOM 2260 NZ LYS B 46 -10.235 16.704 -4.893 1.00 1.61 N ATOM 0 H LYS B 46 -6.226 13.350 -0.542 1.00 0.67 H new ATOM 0 HA LYS B 46 -7.443 15.422 0.854 1.00 0.74 H new ATOM 0 HB2 LYS B 46 -7.152 16.684 -1.077 1.00 0.82 H new ATOM 0 HB3 LYS B 46 -5.902 15.463 -1.213 1.00 0.82 H new ATOM 0 HG2 LYS B 46 -6.697 15.305 -3.342 1.00 0.79 H new ATOM 0 HG3 LYS B 46 -7.839 14.200 -2.604 1.00 0.79 H new ATOM 0 HD2 LYS B 46 -9.466 16.071 -2.315 1.00 0.75 H new ATOM 0 HD3 LYS B 46 -8.323 17.180 -3.047 1.00 0.75 H new ATOM 0 HE2 LYS B 46 -8.352 15.769 -5.130 1.00 0.88 H new ATOM 0 HE3 LYS B 46 -9.577 14.756 -4.393 1.00 0.88 H new ATOM 0 HZ1 LYS B 46 -10.560 16.411 -5.836 1.00 1.61 H new ATOM 0 HZ2 LYS B 46 -11.036 16.687 -4.230 1.00 1.61 H new ATOM 0 HZ3 LYS B 46 -9.849 17.668 -4.944 1.00 1.61 H new ATOM 2274 N ASN B 47 -9.876 15.376 0.561 1.00 0.71 N ATOM 2275 CA ASN B 47 -11.329 15.380 0.460 1.00 0.67 C ATOM 2276 C ASN B 47 -11.881 13.987 0.219 1.00 0.59 C ATOM 2277 O ASN B 47 -12.758 13.794 -0.618 1.00 0.57 O ATOM 2278 CB ASN B 47 -11.792 16.314 -0.648 1.00 0.69 C ATOM 2279 CG ASN B 47 -11.746 17.773 -0.236 1.00 0.92 C ATOM 2280 OD1 ASN B 47 -11.909 18.104 0.939 1.00 1.48 O ATOM 2281 ND2 ASN B 47 -11.541 18.657 -1.194 1.00 1.24 N ATOM 0 H ASN B 47 -9.512 15.950 1.321 1.00 0.71 H new ATOM 0 HA ASN B 47 -11.714 15.738 1.415 1.00 0.67 H new ATOM 0 HB2 ASN B 47 -11.164 16.168 -1.527 1.00 0.69 H new ATOM 0 HB3 ASN B 47 -12.810 16.053 -0.936 1.00 0.69 H new ATOM 0 HD21 ASN B 47 -11.513 19.652 -0.972 1.00 1.24 H new ATOM 0 HD22 ASN B 47 -11.410 18.345 -2.156 1.00 1.24 H new ATOM 2288 N ILE B 48 -11.364 13.021 0.965 1.00 0.56 N ATOM 2289 CA ILE B 48 -11.809 11.631 0.873 1.00 0.48 C ATOM 2290 C ILE B 48 -13.295 11.512 1.226 1.00 0.48 C ATOM 2291 O ILE B 48 -13.906 10.453 1.119 1.00 0.44 O ATOM 2292 CB ILE B 48 -10.975 10.745 1.820 1.00 0.46 C ATOM 2293 CG1 ILE B 48 -11.245 9.263 1.570 1.00 0.40 C ATOM 2294 CG2 ILE B 48 -11.273 11.096 3.263 1.00 0.52 C ATOM 2295 CD1 ILE B 48 -10.976 8.839 0.149 1.00 0.38 C ATOM 0 H ILE B 48 -10.625 13.175 1.651 1.00 0.56 H new ATOM 0 HA ILE B 48 -11.668 11.294 -0.154 1.00 0.48 H new ATOM 0 HB ILE B 48 -9.921 10.934 1.618 1.00 0.46 H new ATOM 0 HG12 ILE B 48 -10.625 8.670 2.242 1.00 0.40 H new ATOM 0 HG13 ILE B 48 -12.284 9.043 1.817 1.00 0.40 H new ATOM 0 HG21 ILE B 48 -10.678 10.463 3.922 1.00 0.52 H new ATOM 0 HG22 ILE B 48 -11.024 12.142 3.442 1.00 0.52 H new ATOM 0 HG23 ILE B 48 -12.332 10.936 3.465 1.00 0.52 H new ATOM 0 HD11 ILE B 48 -11.188 7.775 0.040 1.00 0.38 H new ATOM 0 HD12 ILE B 48 -11.615 9.407 -0.527 1.00 0.38 H new ATOM 0 HD13 ILE B 48 -9.931 9.027 -0.095 1.00 0.38 H new ATOM 2307 N LYS B 49 -13.858 12.626 1.644 1.00 0.56 N ATOM 2308 CA LYS B 49 -15.249 12.703 2.025 1.00 0.57 C ATOM 2309 C LYS B 49 -16.106 12.954 0.795 1.00 0.55 C ATOM 2310 O LYS B 49 -17.323 12.771 0.816 1.00 0.56 O ATOM 2311 CB LYS B 49 -15.422 13.834 3.023 1.00 0.66 C ATOM 2312 CG LYS B 49 -14.334 13.848 4.078 1.00 0.73 C ATOM 2313 CD LYS B 49 -14.324 12.562 4.892 1.00 0.72 C ATOM 2314 CE LYS B 49 -15.448 12.523 5.916 1.00 0.83 C ATOM 2315 NZ LYS B 49 -15.325 13.614 6.919 1.00 1.11 N ATOM 0 H LYS B 49 -13.357 13.510 1.729 1.00 0.56 H new ATOM 0 HA LYS B 49 -15.562 11.764 2.481 1.00 0.57 H new ATOM 0 HB2 LYS B 49 -15.421 14.786 2.492 1.00 0.66 H new ATOM 0 HB3 LYS B 49 -16.393 13.741 3.509 1.00 0.66 H new ATOM 0 HG2 LYS B 49 -13.364 13.983 3.599 1.00 0.73 H new ATOM 0 HG3 LYS B 49 -14.483 14.699 4.743 1.00 0.73 H new ATOM 0 HD2 LYS B 49 -14.416 11.708 4.221 1.00 0.72 H new ATOM 0 HD3 LYS B 49 -13.366 12.464 5.402 1.00 0.72 H new ATOM 0 HE2 LYS B 49 -16.407 12.607 5.405 1.00 0.83 H new ATOM 0 HE3 LYS B 49 -15.441 11.559 6.426 1.00 0.83 H new ATOM 0 HZ1 LYS B 49 -15.862 13.363 7.773 1.00 1.11 H new ATOM 0 HZ2 LYS B 49 -14.324 13.747 7.167 1.00 1.11 H new ATOM 0 HZ3 LYS B 49 -15.703 14.497 6.520 1.00 1.11 H new ATOM 2329 N ASP B 50 -15.449 13.366 -0.278 1.00 0.55 N ATOM 2330 CA ASP B 50 -16.133 13.672 -1.524 1.00 0.56 C ATOM 2331 C ASP B 50 -16.377 12.418 -2.324 1.00 0.50 C ATOM 2332 O ASP B 50 -15.469 11.626 -2.563 1.00 0.47 O ATOM 2333 CB ASP B 50 -15.337 14.659 -2.379 1.00 0.62 C ATOM 2334 CG ASP B 50 -15.678 16.107 -2.093 1.00 0.97 C ATOM 2335 OD1 ASP B 50 -16.788 16.543 -2.462 1.00 1.59 O ATOM 2336 OD2 ASP B 50 -14.829 16.828 -1.532 1.00 1.56 O ATOM 0 H ASP B 50 -14.438 13.497 -0.310 1.00 0.55 H new ATOM 0 HA ASP B 50 -17.086 14.128 -1.256 1.00 0.56 H new ATOM 0 HB2 ASP B 50 -14.272 14.502 -2.207 1.00 0.62 H new ATOM 0 HB3 ASP B 50 -15.524 14.450 -3.432 1.00 0.62 H new ATOM 2341 N LYS B 51 -17.615 12.261 -2.748 1.00 0.50 N ATOM 2342 CA LYS B 51 -18.018 11.147 -3.582 1.00 0.48 C ATOM 2343 C LYS B 51 -17.296 11.202 -4.917 1.00 0.49 C ATOM 2344 O LYS B 51 -17.078 10.179 -5.554 1.00 0.48 O ATOM 2345 CB LYS B 51 -19.520 11.204 -3.805 1.00 0.53 C ATOM 2346 CG LYS B 51 -20.076 10.074 -4.660 1.00 0.83 C ATOM 2347 CD LYS B 51 -19.867 8.716 -4.011 1.00 0.60 C ATOM 2348 CE LYS B 51 -20.464 7.602 -4.852 1.00 0.83 C ATOM 2349 NZ LYS B 51 -21.919 7.791 -5.093 1.00 0.92 N ATOM 0 H LYS B 51 -18.373 12.905 -2.523 1.00 0.50 H new ATOM 0 HA LYS B 51 -17.758 10.213 -3.083 1.00 0.48 H new ATOM 0 HB2 LYS B 51 -20.019 11.188 -2.836 1.00 0.53 H new ATOM 0 HB3 LYS B 51 -19.768 12.155 -4.276 1.00 0.53 H new ATOM 0 HG2 LYS B 51 -21.141 10.236 -4.828 1.00 0.83 H new ATOM 0 HG3 LYS B 51 -19.594 10.087 -5.637 1.00 0.83 H new ATOM 0 HD2 LYS B 51 -18.801 8.538 -3.872 1.00 0.60 H new ATOM 0 HD3 LYS B 51 -20.323 8.710 -3.021 1.00 0.60 H new ATOM 0 HE2 LYS B 51 -19.943 7.554 -5.808 1.00 0.83 H new ATOM 0 HE3 LYS B 51 -20.302 6.647 -4.352 1.00 0.83 H new ATOM 0 HZ1 LYS B 51 -22.331 6.902 -5.443 1.00 0.92 H new ATOM 0 HZ2 LYS B 51 -22.386 8.063 -4.204 1.00 0.92 H new ATOM 0 HZ3 LYS B 51 -22.059 8.540 -5.801 1.00 0.92 H new ATOM 2363 N ALA B 52 -16.925 12.407 -5.327 1.00 0.55 N ATOM 2364 CA ALA B 52 -16.168 12.595 -6.553 1.00 0.60 C ATOM 2365 C ALA B 52 -14.765 12.067 -6.356 1.00 0.57 C ATOM 2366 O ALA B 52 -14.190 11.433 -7.235 1.00 0.60 O ATOM 2367 CB ALA B 52 -16.123 14.064 -6.929 1.00 0.67 C ATOM 0 H ALA B 52 -17.137 13.270 -4.826 1.00 0.55 H new ATOM 0 HA ALA B 52 -16.654 12.050 -7.362 1.00 0.60 H new ATOM 0 HB1 ALA B 52 -15.552 14.187 -7.849 1.00 0.67 H new ATOM 0 HB2 ALA B 52 -17.138 14.432 -7.080 1.00 0.67 H new ATOM 0 HB3 ALA B 52 -15.647 14.630 -6.129 1.00 0.67 H new ATOM 2373 N VAL B 53 -14.246 12.306 -5.163 1.00 0.54 N ATOM 2374 CA VAL B 53 -12.908 11.863 -4.804 1.00 0.53 C ATOM 2375 C VAL B 53 -12.904 10.353 -4.665 1.00 0.47 C ATOM 2376 O VAL B 53 -12.022 9.662 -5.173 1.00 0.48 O ATOM 2377 CB VAL B 53 -12.436 12.518 -3.487 1.00 0.53 C ATOM 2378 CG1 VAL B 53 -11.195 11.831 -2.928 1.00 0.51 C ATOM 2379 CG2 VAL B 53 -12.157 13.993 -3.706 1.00 0.60 C ATOM 0 H VAL B 53 -14.735 12.808 -4.422 1.00 0.54 H new ATOM 0 HA VAL B 53 -12.217 12.165 -5.591 1.00 0.53 H new ATOM 0 HB VAL B 53 -13.238 12.405 -2.757 1.00 0.53 H new ATOM 0 HG11 VAL B 53 -10.894 12.321 -2.002 1.00 0.51 H new ATOM 0 HG12 VAL B 53 -11.418 10.783 -2.729 1.00 0.51 H new ATOM 0 HG13 VAL B 53 -10.384 11.898 -3.654 1.00 0.51 H new ATOM 0 HG21 VAL B 53 -11.825 14.443 -2.771 1.00 0.60 H new ATOM 0 HG22 VAL B 53 -11.379 14.108 -4.460 1.00 0.60 H new ATOM 0 HG23 VAL B 53 -13.067 14.489 -4.045 1.00 0.60 H new ATOM 2389 N ILE B 54 -13.931 9.858 -4.002 1.00 0.42 N ATOM 2390 CA ILE B 54 -14.115 8.433 -3.801 1.00 0.36 C ATOM 2391 C ILE B 54 -14.338 7.714 -5.115 1.00 0.38 C ATOM 2392 O ILE B 54 -13.854 6.601 -5.319 1.00 0.38 O ATOM 2393 CB ILE B 54 -15.303 8.196 -2.876 1.00 0.35 C ATOM 2394 CG1 ILE B 54 -14.935 8.737 -1.499 1.00 0.37 C ATOM 2395 CG2 ILE B 54 -15.689 6.718 -2.828 1.00 0.32 C ATOM 2396 CD1 ILE B 54 -15.971 8.482 -0.443 1.00 0.38 C ATOM 0 H ILE B 54 -14.663 10.434 -3.586 1.00 0.42 H new ATOM 0 HA ILE B 54 -13.208 8.034 -3.348 1.00 0.36 H new ATOM 0 HB ILE B 54 -16.183 8.719 -3.251 1.00 0.35 H new ATOM 0 HG12 ILE B 54 -13.993 8.288 -1.184 1.00 0.37 H new ATOM 0 HG13 ILE B 54 -14.767 9.811 -1.576 1.00 0.37 H new ATOM 0 HG21 ILE B 54 -16.539 6.586 -2.159 1.00 0.32 H new ATOM 0 HG22 ILE B 54 -15.958 6.380 -3.829 1.00 0.32 H new ATOM 0 HG23 ILE B 54 -14.845 6.133 -2.462 1.00 0.32 H new ATOM 0 HD11 ILE B 54 -15.633 8.898 0.506 1.00 0.38 H new ATOM 0 HD12 ILE B 54 -16.910 8.955 -0.732 1.00 0.38 H new ATOM 0 HD13 ILE B 54 -16.124 7.408 -0.335 1.00 0.38 H new ATOM 2408 N ASP B 55 -15.068 8.358 -6.006 1.00 0.43 N ATOM 2409 CA ASP B 55 -15.335 7.800 -7.315 1.00 0.47 C ATOM 2410 C ASP B 55 -14.031 7.671 -8.061 1.00 0.48 C ATOM 2411 O ASP B 55 -13.691 6.607 -8.558 1.00 0.49 O ATOM 2412 CB ASP B 55 -16.285 8.699 -8.094 1.00 0.54 C ATOM 2413 CG ASP B 55 -16.960 7.967 -9.233 1.00 0.85 C ATOM 2414 OD1 ASP B 55 -17.781 7.065 -8.958 1.00 1.43 O ATOM 2415 OD2 ASP B 55 -16.669 8.280 -10.405 1.00 1.53 O ATOM 0 H ASP B 55 -15.488 9.273 -5.844 1.00 0.43 H new ATOM 0 HA ASP B 55 -15.802 6.822 -7.203 1.00 0.47 H new ATOM 0 HB2 ASP B 55 -17.044 9.095 -7.419 1.00 0.54 H new ATOM 0 HB3 ASP B 55 -15.733 9.552 -8.489 1.00 0.54 H new ATOM 2420 N GLU B 56 -13.293 8.769 -8.086 1.00 0.51 N ATOM 2421 CA GLU B 56 -11.970 8.818 -8.683 1.00 0.53 C ATOM 2422 C GLU B 56 -11.082 7.681 -8.180 1.00 0.47 C ATOM 2423 O GLU B 56 -10.390 7.026 -8.963 1.00 0.49 O ATOM 2424 CB GLU B 56 -11.339 10.168 -8.360 1.00 0.58 C ATOM 2425 CG GLU B 56 -11.845 11.296 -9.242 1.00 0.69 C ATOM 2426 CD GLU B 56 -11.562 11.052 -10.709 1.00 1.06 C ATOM 2427 OE1 GLU B 56 -12.375 10.380 -11.379 1.00 1.66 O ATOM 2428 OE2 GLU B 56 -10.518 11.526 -11.205 1.00 1.77 O ATOM 0 H GLU B 56 -13.598 9.658 -7.689 1.00 0.51 H new ATOM 0 HA GLU B 56 -12.065 8.696 -9.762 1.00 0.53 H new ATOM 0 HB2 GLU B 56 -11.539 10.414 -7.317 1.00 0.58 H new ATOM 0 HB3 GLU B 56 -10.257 10.090 -8.467 1.00 0.58 H new ATOM 0 HG2 GLU B 56 -12.919 11.414 -9.096 1.00 0.69 H new ATOM 0 HG3 GLU B 56 -11.377 12.231 -8.935 1.00 0.69 H new ATOM 2435 N ILE B 57 -11.108 7.448 -6.876 1.00 0.42 N ATOM 2436 CA ILE B 57 -10.328 6.385 -6.273 1.00 0.39 C ATOM 2437 C ILE B 57 -10.842 5.021 -6.695 1.00 0.36 C ATOM 2438 O ILE B 57 -10.105 4.232 -7.274 1.00 0.37 O ATOM 2439 CB ILE B 57 -10.386 6.494 -4.752 1.00 0.40 C ATOM 2440 CG1 ILE B 57 -9.729 7.795 -4.301 1.00 0.48 C ATOM 2441 CG2 ILE B 57 -9.723 5.297 -4.104 1.00 0.59 C ATOM 2442 CD1 ILE B 57 -9.763 8.005 -2.811 1.00 1.00 C ATOM 0 H ILE B 57 -11.666 7.987 -6.214 1.00 0.42 H new ATOM 0 HA ILE B 57 -9.298 6.491 -6.614 1.00 0.39 H new ATOM 0 HB ILE B 57 -11.430 6.505 -4.438 1.00 0.40 H new ATOM 0 HG12 ILE B 57 -8.692 7.803 -4.637 1.00 0.48 H new ATOM 0 HG13 ILE B 57 -10.229 8.632 -4.789 1.00 0.48 H new ATOM 0 HG21 ILE B 57 -9.775 5.395 -3.020 1.00 0.59 H new ATOM 0 HG22 ILE B 57 -10.236 4.386 -4.411 1.00 0.59 H new ATOM 0 HG23 ILE B 57 -8.679 5.247 -4.414 1.00 0.59 H new ATOM 0 HD11 ILE B 57 -9.278 8.950 -2.566 1.00 1.00 H new ATOM 0 HD12 ILE B 57 -10.798 8.030 -2.471 1.00 1.00 H new ATOM 0 HD13 ILE B 57 -9.238 7.188 -2.316 1.00 1.00 H new ATOM 2454 N PHE B 58 -12.112 4.762 -6.411 1.00 0.35 N ATOM 2455 CA PHE B 58 -12.731 3.477 -6.712 1.00 0.36 C ATOM 2456 C PHE B 58 -12.522 3.106 -8.170 1.00 0.41 C ATOM 2457 O PHE B 58 -12.131 1.987 -8.485 1.00 0.44 O ATOM 2458 CB PHE B 58 -14.227 3.524 -6.403 1.00 0.38 C ATOM 2459 CG PHE B 58 -14.939 2.245 -6.725 1.00 0.52 C ATOM 2460 CD1 PHE B 58 -14.882 1.171 -5.857 1.00 1.52 C ATOM 2461 CD2 PHE B 58 -15.663 2.117 -7.897 1.00 1.11 C ATOM 2462 CE1 PHE B 58 -15.533 -0.008 -6.152 1.00 1.67 C ATOM 2463 CE2 PHE B 58 -16.314 0.942 -8.197 1.00 1.16 C ATOM 2464 CZ PHE B 58 -16.250 -0.123 -7.321 1.00 0.93 C ATOM 0 H PHE B 58 -12.740 5.433 -5.968 1.00 0.35 H new ATOM 0 HA PHE B 58 -12.258 2.719 -6.087 1.00 0.36 H new ATOM 0 HB2 PHE B 58 -14.366 3.753 -5.346 1.00 0.38 H new ATOM 0 HB3 PHE B 58 -14.682 4.337 -6.968 1.00 0.38 H new ATOM 0 HD1 PHE B 58 -14.321 1.256 -4.938 1.00 1.52 H new ATOM 0 HD2 PHE B 58 -15.718 2.948 -8.584 1.00 1.11 H new ATOM 0 HE1 PHE B 58 -15.480 -0.841 -5.466 1.00 1.67 H new ATOM 0 HE2 PHE B 58 -16.874 0.853 -9.116 1.00 1.16 H new ATOM 0 HZ PHE B 58 -16.762 -1.045 -7.553 1.00 0.93 H new ATOM 2474 N GLN B 59 -12.763 4.064 -9.044 1.00 0.45 N ATOM 2475 CA GLN B 59 -12.629 3.855 -10.474 1.00 0.52 C ATOM 2476 C GLN B 59 -11.167 3.651 -10.855 1.00 0.52 C ATOM 2477 O GLN B 59 -10.857 3.032 -11.872 1.00 0.57 O ATOM 2478 CB GLN B 59 -13.211 5.051 -11.228 1.00 0.58 C ATOM 2479 CG GLN B 59 -14.695 5.281 -10.968 1.00 0.61 C ATOM 2480 CD GLN B 59 -15.553 4.052 -11.218 1.00 1.10 C ATOM 2481 OE1 GLN B 59 -16.568 3.850 -10.551 1.00 1.91 O ATOM 2482 NE2 GLN B 59 -15.166 3.232 -12.184 1.00 1.63 N ATOM 0 H GLN B 59 -13.056 5.006 -8.785 1.00 0.45 H new ATOM 0 HA GLN B 59 -13.180 2.956 -10.749 1.00 0.52 H new ATOM 0 HB2 GLN B 59 -12.659 5.948 -10.948 1.00 0.58 H new ATOM 0 HB3 GLN B 59 -13.058 4.904 -12.297 1.00 0.58 H new ATOM 0 HG2 GLN B 59 -14.829 5.604 -9.935 1.00 0.61 H new ATOM 0 HG3 GLN B 59 -15.045 6.094 -11.604 1.00 0.61 H new ATOM 0 HE21 GLN B 59 -14.319 3.433 -12.715 1.00 1.63 H new ATOM 0 HE22 GLN B 59 -15.715 2.399 -12.397 1.00 1.63 H new ATOM 2491 N GLY B 60 -10.273 4.177 -10.027 1.00 0.48 N ATOM 2492 CA GLY B 60 -8.854 3.998 -10.251 1.00 0.49 C ATOM 2493 C GLY B 60 -8.375 2.620 -9.833 1.00 0.47 C ATOM 2494 O GLY B 60 -7.370 2.127 -10.347 1.00 0.53 O ATOM 0 H GLY B 60 -10.509 4.727 -9.201 1.00 0.48 H new ATOM 0 HA2 GLY B 60 -8.633 4.152 -11.307 1.00 0.49 H new ATOM 0 HA3 GLY B 60 -8.302 4.756 -9.695 1.00 0.49 H new ATOM 2498 N LEU B 61 -9.087 1.994 -8.898 1.00 0.42 N ATOM 2499 CA LEU B 61 -8.722 0.662 -8.437 1.00 0.44 C ATOM 2500 C LEU B 61 -9.458 -0.375 -9.255 1.00 0.51 C ATOM 2501 O LEU B 61 -8.893 -1.395 -9.637 1.00 0.59 O ATOM 2502 CB LEU B 61 -9.066 0.450 -6.960 1.00 0.39 C ATOM 2503 CG LEU B 61 -9.192 1.705 -6.106 1.00 0.34 C ATOM 2504 CD1 LEU B 61 -9.705 1.333 -4.727 1.00 0.31 C ATOM 2505 CD2 LEU B 61 -7.854 2.426 -6.002 1.00 0.35 C ATOM 0 H LEU B 61 -9.914 2.387 -8.449 1.00 0.42 H new ATOM 0 HA LEU B 61 -7.643 0.560 -8.557 1.00 0.44 H new ATOM 0 HB2 LEU B 61 -10.007 -0.097 -6.904 1.00 0.39 H new ATOM 0 HB3 LEU B 61 -8.300 -0.188 -6.519 1.00 0.39 H new ATOM 0 HG LEU B 61 -9.901 2.383 -6.580 1.00 0.34 H new ATOM 0 HD11 LEU B 61 -9.795 2.232 -4.117 1.00 0.31 H new ATOM 0 HD12 LEU B 61 -10.682 0.858 -4.818 1.00 0.31 H new ATOM 0 HD13 LEU B 61 -9.008 0.642 -4.254 1.00 0.31 H new ATOM 0 HD21 LEU B 61 -7.969 3.319 -5.388 1.00 0.35 H new ATOM 0 HD22 LEU B 61 -7.118 1.764 -5.546 1.00 0.35 H new ATOM 0 HD23 LEU B 61 -7.516 2.712 -6.998 1.00 0.35 H new ATOM 2517 N ASP B 62 -10.729 -0.098 -9.516 1.00 0.51 N ATOM 2518 CA ASP B 62 -11.578 -1.001 -10.279 1.00 0.59 C ATOM 2519 C ASP B 62 -11.189 -0.978 -11.750 1.00 0.70 C ATOM 2520 O ASP B 62 -11.857 -0.373 -12.592 1.00 0.75 O ATOM 2521 CB ASP B 62 -13.053 -0.631 -10.099 1.00 0.57 C ATOM 2522 CG ASP B 62 -13.993 -1.527 -10.890 1.00 0.64 C ATOM 2523 OD1 ASP B 62 -13.895 -2.768 -10.770 1.00 1.40 O ATOM 2524 OD2 ASP B 62 -14.845 -0.993 -11.627 1.00 1.11 O ATOM 0 H ASP B 62 -11.197 0.754 -9.207 1.00 0.51 H new ATOM 0 HA ASP B 62 -11.434 -2.014 -9.904 1.00 0.59 H new ATOM 0 HB2 ASP B 62 -13.310 -0.689 -9.041 1.00 0.57 H new ATOM 0 HB3 ASP B 62 -13.202 0.404 -10.407 1.00 0.57 H new ATOM 2529 N ALA B 63 -10.077 -1.629 -12.042 1.00 0.78 N ATOM 2530 CA ALA B 63 -9.593 -1.763 -13.402 1.00 0.94 C ATOM 2531 C ALA B 63 -10.461 -2.743 -14.171 1.00 1.12 C ATOM 2532 O ALA B 63 -10.439 -2.786 -15.401 1.00 1.31 O ATOM 2533 CB ALA B 63 -8.150 -2.227 -13.392 1.00 1.00 C ATOM 0 H ALA B 63 -9.486 -2.079 -11.343 1.00 0.78 H new ATOM 0 HA ALA B 63 -9.645 -0.793 -13.897 1.00 0.94 H new ATOM 0 HB1 ALA B 63 -7.792 -2.326 -14.417 1.00 1.00 H new ATOM 0 HB2 ALA B 63 -7.537 -1.498 -12.862 1.00 1.00 H new ATOM 0 HB3 ALA B 63 -8.082 -3.192 -12.889 1.00 1.00 H new ATOM 2539 N ASN B 64 -11.230 -3.528 -13.425 1.00 1.10 N ATOM 2540 CA ASN B 64 -12.128 -4.508 -14.015 1.00 1.28 C ATOM 2541 C ASN B 64 -13.331 -3.810 -14.626 1.00 1.22 C ATOM 2542 O ASN B 64 -14.002 -4.350 -15.504 1.00 1.37 O ATOM 2543 CB ASN B 64 -12.617 -5.504 -12.958 1.00 1.34 C ATOM 2544 CG ASN B 64 -11.503 -6.051 -12.093 1.00 2.04 C ATOM 2545 OD1 ASN B 64 -10.843 -7.027 -12.448 1.00 2.56 O ATOM 2546 ND2 ASN B 64 -11.300 -5.438 -10.934 1.00 2.80 N ATOM 0 H ASN B 64 -11.248 -3.503 -12.405 1.00 1.10 H new ATOM 0 HA ASN B 64 -11.578 -5.046 -14.787 1.00 1.28 H new ATOM 0 HB2 ASN B 64 -13.355 -5.016 -12.322 1.00 1.34 H new ATOM 0 HB3 ASN B 64 -13.122 -6.332 -13.455 1.00 1.34 H new ATOM 0 HD21 ASN B 64 -10.575 -5.773 -10.300 1.00 2.80 H new ATOM 0 HD22 ASN B 64 -11.869 -4.632 -10.677 1.00 2.80 H new ATOM 2553 N GLN B 65 -13.576 -2.586 -14.148 1.00 1.04 N ATOM 2554 CA GLN B 65 -14.698 -1.764 -14.593 1.00 1.06 C ATOM 2555 C GLN B 65 -16.027 -2.456 -14.312 1.00 1.04 C ATOM 2556 O GLN B 65 -17.024 -2.211 -14.990 1.00 1.17 O ATOM 2557 CB GLN B 65 -14.567 -1.421 -16.077 1.00 1.32 C ATOM 2558 CG GLN B 65 -13.346 -0.573 -16.392 1.00 1.38 C ATOM 2559 CD GLN B 65 -13.220 -0.244 -17.866 1.00 2.03 C ATOM 2560 OE1 GLN B 65 -14.346 -0.131 -18.550 1.00 2.72 O flip ATOM 2561 NE2 GLN B 65 -12.116 -0.091 -18.390 1.00 2.58 N flip ATOM 0 H GLN B 65 -12.997 -2.138 -13.438 1.00 1.04 H new ATOM 0 HA GLN B 65 -14.677 -0.833 -14.027 1.00 1.06 H new ATOM 0 HB2 GLN B 65 -14.518 -2.345 -16.653 1.00 1.32 H new ATOM 0 HB3 GLN B 65 -15.463 -0.891 -16.401 1.00 1.32 H new ATOM 0 HG2 GLN B 65 -13.397 0.354 -15.821 1.00 1.38 H new ATOM 0 HG3 GLN B 65 -12.450 -1.100 -16.065 1.00 1.38 H new ATOM 0 HE21 GLN B 65 -11.268 -0.186 -17.831 1.00 2.58 H new ATOM 0 HE22 GLN B 65 -12.049 0.131 -19.383 1.00 2.58 H new ATOM 2570 N ASP B 66 -16.035 -3.302 -13.291 1.00 0.93 N ATOM 2571 CA ASP B 66 -17.232 -4.045 -12.915 1.00 0.95 C ATOM 2572 C ASP B 66 -17.711 -3.614 -11.543 1.00 0.81 C ATOM 2573 O ASP B 66 -18.594 -4.242 -10.958 1.00 0.82 O ATOM 2574 CB ASP B 66 -16.971 -5.556 -12.909 1.00 1.06 C ATOM 2575 CG ASP B 66 -16.921 -6.158 -14.297 1.00 1.43 C ATOM 2576 OD1 ASP B 66 -17.992 -6.311 -14.921 1.00 1.88 O ATOM 2577 OD2 ASP B 66 -15.814 -6.503 -14.761 1.00 2.14 O ATOM 0 H ASP B 66 -15.222 -3.492 -12.705 1.00 0.93 H new ATOM 0 HA ASP B 66 -18.001 -3.827 -13.656 1.00 0.95 H new ATOM 0 HB2 ASP B 66 -16.027 -5.753 -12.400 1.00 1.06 H new ATOM 0 HB3 ASP B 66 -17.753 -6.051 -12.333 1.00 1.06 H new ATOM 2582 N GLU B 67 -17.108 -2.541 -11.040 1.00 0.73 N ATOM 2583 CA GLU B 67 -17.411 -2.019 -9.716 1.00 0.63 C ATOM 2584 C GLU B 67 -17.079 -3.049 -8.643 1.00 0.58 C ATOM 2585 O GLU B 67 -17.900 -3.355 -7.776 1.00 0.61 O ATOM 2586 CB GLU B 67 -18.876 -1.577 -9.609 1.00 0.68 C ATOM 2587 CG GLU B 67 -19.190 -0.324 -10.410 1.00 0.97 C ATOM 2588 CD GLU B 67 -20.642 0.089 -10.307 1.00 1.42 C ATOM 2589 OE1 GLU B 67 -20.981 0.854 -9.381 1.00 2.01 O ATOM 2590 OE2 GLU B 67 -21.449 -0.335 -11.159 1.00 2.00 O ATOM 0 H GLU B 67 -16.395 -2.010 -11.541 1.00 0.73 H new ATOM 0 HA GLU B 67 -16.788 -1.139 -9.556 1.00 0.63 H new ATOM 0 HB2 GLU B 67 -19.518 -2.388 -9.952 1.00 0.68 H new ATOM 0 HB3 GLU B 67 -19.118 -1.399 -8.561 1.00 0.68 H new ATOM 0 HG2 GLU B 67 -18.559 0.493 -10.060 1.00 0.97 H new ATOM 0 HG3 GLU B 67 -18.939 -0.495 -11.457 1.00 0.97 H new ATOM 2597 N GLN B 68 -15.864 -3.578 -8.703 1.00 0.62 N ATOM 2598 CA GLN B 68 -15.423 -4.566 -7.735 1.00 0.66 C ATOM 2599 C GLN B 68 -13.974 -4.322 -7.320 1.00 0.66 C ATOM 2600 O GLN B 68 -13.055 -4.384 -8.139 1.00 0.78 O ATOM 2601 CB GLN B 68 -15.590 -5.979 -8.312 1.00 0.86 C ATOM 2602 CG GLN B 68 -14.931 -6.176 -9.671 1.00 1.38 C ATOM 2603 CD GLN B 68 -15.095 -7.583 -10.212 1.00 1.64 C ATOM 2604 OE1 GLN B 68 -16.208 -8.223 -9.890 1.00 2.16 O flip ATOM 2605 NE2 GLN B 68 -14.231 -8.086 -10.929 1.00 2.07 N flip ATOM 0 H GLN B 68 -15.170 -3.338 -9.411 1.00 0.62 H new ATOM 0 HA GLN B 68 -16.043 -4.474 -6.844 1.00 0.66 H new ATOM 0 HB2 GLN B 68 -15.171 -6.699 -7.609 1.00 0.86 H new ATOM 0 HB3 GLN B 68 -16.654 -6.201 -8.400 1.00 0.86 H new ATOM 0 HG2 GLN B 68 -15.358 -5.468 -10.381 1.00 1.38 H new ATOM 0 HG3 GLN B 68 -13.869 -5.946 -9.590 1.00 1.38 H new ATOM 0 HE21 GLN B 68 -13.386 -7.561 -11.155 1.00 2.07 H new ATOM 0 HE22 GLN B 68 -14.359 -9.028 -11.298 1.00 2.07 H new ATOM 2614 N VAL B 69 -13.780 -4.036 -6.043 1.00 0.59 N ATOM 2615 CA VAL B 69 -12.447 -3.880 -5.485 1.00 0.64 C ATOM 2616 C VAL B 69 -11.989 -5.163 -4.796 1.00 0.64 C ATOM 2617 O VAL B 69 -12.597 -5.618 -3.831 1.00 0.68 O ATOM 2618 CB VAL B 69 -12.395 -2.701 -4.486 1.00 0.72 C ATOM 2619 CG1 VAL B 69 -11.087 -2.691 -3.708 1.00 1.81 C ATOM 2620 CG2 VAL B 69 -12.574 -1.383 -5.218 1.00 1.22 C ATOM 0 H VAL B 69 -14.535 -3.906 -5.369 1.00 0.59 H new ATOM 0 HA VAL B 69 -11.771 -3.665 -6.312 1.00 0.64 H new ATOM 0 HB VAL B 69 -13.211 -2.830 -3.775 1.00 0.72 H new ATOM 0 HG11 VAL B 69 -11.083 -1.850 -3.015 1.00 1.81 H new ATOM 0 HG12 VAL B 69 -10.989 -3.622 -3.150 1.00 1.81 H new ATOM 0 HG13 VAL B 69 -10.252 -2.594 -4.402 1.00 1.81 H new ATOM 0 HG21 VAL B 69 -12.535 -0.561 -4.503 1.00 1.22 H new ATOM 0 HG22 VAL B 69 -11.777 -1.263 -5.952 1.00 1.22 H new ATOM 0 HG23 VAL B 69 -13.538 -1.377 -5.726 1.00 1.22 H new ATOM 2630 N ASP B 70 -10.942 -5.764 -5.335 1.00 0.67 N ATOM 2631 CA ASP B 70 -10.301 -6.916 -4.703 1.00 0.73 C ATOM 2632 C ASP B 70 -9.177 -6.419 -3.803 1.00 0.64 C ATOM 2633 O ASP B 70 -8.881 -5.231 -3.819 1.00 0.56 O ATOM 2634 CB ASP B 70 -9.752 -7.869 -5.779 1.00 0.84 C ATOM 2635 CG ASP B 70 -9.069 -9.097 -5.209 1.00 1.38 C ATOM 2636 OD1 ASP B 70 -9.766 -10.093 -4.928 1.00 2.02 O ATOM 2637 OD2 ASP B 70 -7.829 -9.068 -5.036 1.00 1.98 O ATOM 0 H ASP B 70 -10.512 -5.475 -6.214 1.00 0.67 H new ATOM 0 HA ASP B 70 -11.028 -7.464 -4.104 1.00 0.73 H new ATOM 0 HB2 ASP B 70 -10.571 -8.186 -6.425 1.00 0.84 H new ATOM 0 HB3 ASP B 70 -9.044 -7.327 -6.406 1.00 0.84 H new ATOM 2642 N PHE B 71 -8.557 -7.297 -3.024 1.00 0.70 N ATOM 2643 CA PHE B 71 -7.413 -6.908 -2.200 1.00 0.67 C ATOM 2644 C PHE B 71 -6.345 -6.235 -3.058 1.00 0.56 C ATOM 2645 O PHE B 71 -5.709 -5.277 -2.636 1.00 0.48 O ATOM 2646 CB PHE B 71 -6.812 -8.122 -1.492 1.00 0.83 C ATOM 2647 CG PHE B 71 -7.731 -8.759 -0.487 1.00 1.12 C ATOM 2648 CD1 PHE B 71 -8.725 -9.636 -0.891 1.00 1.50 C ATOM 2649 CD2 PHE B 71 -7.598 -8.478 0.862 1.00 1.93 C ATOM 2650 CE1 PHE B 71 -9.567 -10.221 0.033 1.00 1.76 C ATOM 2651 CE2 PHE B 71 -8.438 -9.062 1.790 1.00 2.18 C ATOM 2652 CZ PHE B 71 -9.423 -9.935 1.375 1.00 1.77 C ATOM 0 H PHE B 71 -8.823 -8.278 -2.944 1.00 0.70 H new ATOM 0 HA PHE B 71 -7.766 -6.204 -1.447 1.00 0.67 H new ATOM 0 HB2 PHE B 71 -6.536 -8.866 -2.239 1.00 0.83 H new ATOM 0 HB3 PHE B 71 -5.894 -7.819 -0.989 1.00 0.83 H new ATOM 0 HD1 PHE B 71 -8.842 -9.864 -1.940 1.00 1.50 H new ATOM 0 HD2 PHE B 71 -6.829 -7.795 1.192 1.00 1.93 H new ATOM 0 HE1 PHE B 71 -10.338 -10.902 -0.294 1.00 1.76 H new ATOM 0 HE2 PHE B 71 -8.324 -8.836 2.840 1.00 2.18 H new ATOM 0 HZ PHE B 71 -10.080 -10.393 2.099 1.00 1.77 H new ATOM 2662 N GLN B 72 -6.160 -6.752 -4.267 1.00 0.60 N ATOM 2663 CA GLN B 72 -5.228 -6.178 -5.227 1.00 0.57 C ATOM 2664 C GLN B 72 -5.650 -4.769 -5.655 1.00 0.50 C ATOM 2665 O GLN B 72 -4.828 -3.859 -5.750 1.00 0.47 O ATOM 2666 CB GLN B 72 -5.144 -7.081 -6.450 1.00 0.70 C ATOM 2667 CG GLN B 72 -4.198 -6.568 -7.508 1.00 0.75 C ATOM 2668 CD GLN B 72 -4.341 -7.313 -8.817 1.00 1.09 C ATOM 2669 OE1 GLN B 72 -3.670 -8.318 -9.050 1.00 1.67 O ATOM 2670 NE2 GLN B 72 -5.217 -6.827 -9.679 1.00 1.66 N ATOM 0 H GLN B 72 -6.651 -7.579 -4.608 1.00 0.60 H new ATOM 0 HA GLN B 72 -4.252 -6.101 -4.747 1.00 0.57 H new ATOM 0 HB2 GLN B 72 -4.824 -8.075 -6.138 1.00 0.70 H new ATOM 0 HB3 GLN B 72 -6.139 -7.188 -6.883 1.00 0.70 H new ATOM 0 HG2 GLN B 72 -4.384 -5.507 -7.674 1.00 0.75 H new ATOM 0 HG3 GLN B 72 -3.172 -6.660 -7.150 1.00 0.75 H new ATOM 0 HE21 GLN B 72 -5.753 -5.991 -9.445 1.00 1.66 H new ATOM 0 HE22 GLN B 72 -5.358 -7.288 -10.578 1.00 1.66 H new ATOM 2679 N GLU B 73 -6.930 -4.591 -5.918 1.00 0.50 N ATOM 2680 CA GLU B 73 -7.444 -3.290 -6.329 1.00 0.47 C ATOM 2681 C GLU B 73 -7.431 -2.336 -5.136 1.00 0.36 C ATOM 2682 O GLU B 73 -7.152 -1.147 -5.268 1.00 0.33 O ATOM 2683 CB GLU B 73 -8.857 -3.436 -6.897 1.00 0.56 C ATOM 2684 CG GLU B 73 -9.002 -4.581 -7.895 1.00 0.78 C ATOM 2685 CD GLU B 73 -8.131 -4.429 -9.133 1.00 1.16 C ATOM 2686 OE1 GLU B 73 -6.893 -4.565 -9.025 1.00 1.99 O ATOM 2687 OE2 GLU B 73 -8.684 -4.198 -10.226 1.00 1.82 O ATOM 0 H GLU B 73 -7.635 -5.326 -5.856 1.00 0.50 H new ATOM 0 HA GLU B 73 -6.807 -2.879 -7.112 1.00 0.47 H new ATOM 0 HB2 GLU B 73 -9.555 -3.592 -6.075 1.00 0.56 H new ATOM 0 HB3 GLU B 73 -9.141 -2.503 -7.384 1.00 0.56 H new ATOM 0 HG2 GLU B 73 -8.751 -5.518 -7.398 1.00 0.78 H new ATOM 0 HG3 GLU B 73 -10.045 -4.653 -8.202 1.00 0.78 H new ATOM 2694 N PHE B 74 -7.713 -2.885 -3.963 1.00 0.37 N ATOM 2695 CA PHE B 74 -7.615 -2.150 -2.711 1.00 0.34 C ATOM 2696 C PHE B 74 -6.166 -1.767 -2.457 1.00 0.32 C ATOM 2697 O PHE B 74 -5.874 -0.774 -1.796 1.00 0.34 O ATOM 2698 CB PHE B 74 -8.146 -3.013 -1.564 1.00 0.43 C ATOM 2699 CG PHE B 74 -8.300 -2.289 -0.258 1.00 0.78 C ATOM 2700 CD1 PHE B 74 -9.487 -1.650 0.055 1.00 1.32 C ATOM 2701 CD2 PHE B 74 -7.266 -2.260 0.663 1.00 1.44 C ATOM 2702 CE1 PHE B 74 -9.641 -0.996 1.260 1.00 1.77 C ATOM 2703 CE2 PHE B 74 -7.413 -1.604 1.869 1.00 1.92 C ATOM 2704 CZ PHE B 74 -8.601 -0.971 2.167 1.00 1.90 C ATOM 0 H PHE B 74 -8.016 -3.853 -3.853 1.00 0.37 H new ATOM 0 HA PHE B 74 -8.214 -1.242 -2.773 1.00 0.34 H new ATOM 0 HB2 PHE B 74 -9.113 -3.424 -1.853 1.00 0.43 H new ATOM 0 HB3 PHE B 74 -7.472 -3.857 -1.419 1.00 0.43 H new ATOM 0 HD1 PHE B 74 -10.303 -1.663 -0.653 1.00 1.32 H new ATOM 0 HD2 PHE B 74 -6.334 -2.756 0.435 1.00 1.44 H new ATOM 0 HE1 PHE B 74 -10.574 -0.504 1.493 1.00 1.77 H new ATOM 0 HE2 PHE B 74 -6.598 -1.587 2.578 1.00 1.92 H new ATOM 0 HZ PHE B 74 -8.718 -0.456 3.109 1.00 1.90 H new ATOM 2714 N ILE B 75 -5.268 -2.563 -3.014 1.00 0.33 N ATOM 2715 CA ILE B 75 -3.848 -2.293 -2.947 1.00 0.36 C ATOM 2716 C ILE B 75 -3.550 -0.996 -3.677 1.00 0.34 C ATOM 2717 O ILE B 75 -2.761 -0.171 -3.210 1.00 0.36 O ATOM 2718 CB ILE B 75 -3.052 -3.466 -3.557 1.00 0.41 C ATOM 2719 CG1 ILE B 75 -2.517 -4.366 -2.458 1.00 0.49 C ATOM 2720 CG2 ILE B 75 -1.925 -2.984 -4.454 1.00 0.46 C ATOM 2721 CD1 ILE B 75 -2.075 -5.703 -2.973 1.00 0.67 C ATOM 0 H ILE B 75 -5.507 -3.413 -3.524 1.00 0.33 H new ATOM 0 HA ILE B 75 -3.544 -2.189 -1.905 1.00 0.36 H new ATOM 0 HB ILE B 75 -3.736 -4.039 -4.182 1.00 0.41 H new ATOM 0 HG12 ILE B 75 -1.677 -3.874 -1.967 1.00 0.49 H new ATOM 0 HG13 ILE B 75 -3.289 -4.509 -1.702 1.00 0.49 H new ATOM 0 HG21 ILE B 75 -1.392 -3.843 -4.862 1.00 0.46 H new ATOM 0 HG22 ILE B 75 -2.338 -2.392 -5.271 1.00 0.46 H new ATOM 0 HG23 ILE B 75 -1.235 -2.371 -3.874 1.00 0.46 H new ATOM 0 HD11 ILE B 75 -1.701 -6.306 -2.146 1.00 0.67 H new ATOM 0 HD12 ILE B 75 -2.919 -6.210 -3.440 1.00 0.67 H new ATOM 0 HD13 ILE B 75 -1.282 -5.566 -3.709 1.00 0.67 H new ATOM 2733 N SER B 76 -4.215 -0.814 -4.810 1.00 0.34 N ATOM 2734 CA SER B 76 -4.123 0.425 -5.543 1.00 0.36 C ATOM 2735 C SER B 76 -4.603 1.580 -4.670 1.00 0.31 C ATOM 2736 O SER B 76 -4.005 2.643 -4.664 1.00 0.33 O ATOM 2737 CB SER B 76 -4.939 0.346 -6.831 1.00 0.45 C ATOM 2738 OG SER B 76 -4.542 -0.768 -7.614 1.00 0.74 O ATOM 0 H SER B 76 -4.823 -1.514 -5.235 1.00 0.34 H new ATOM 0 HA SER B 76 -3.082 0.600 -5.813 1.00 0.36 H new ATOM 0 HB2 SER B 76 -5.999 0.267 -6.590 1.00 0.45 H new ATOM 0 HB3 SER B 76 -4.810 1.264 -7.405 1.00 0.45 H new ATOM 0 HG SER B 76 -5.079 -0.800 -8.433 1.00 0.74 H new ATOM 2744 N LEU B 77 -5.666 1.355 -3.904 1.00 0.28 N ATOM 2745 CA LEU B 77 -6.162 2.376 -2.983 1.00 0.26 C ATOM 2746 C LEU B 77 -5.078 2.791 -2.007 1.00 0.23 C ATOM 2747 O LEU B 77 -4.873 3.976 -1.765 1.00 0.23 O ATOM 2748 CB LEU B 77 -7.370 1.879 -2.190 1.00 0.30 C ATOM 2749 CG LEU B 77 -7.668 2.695 -0.926 1.00 0.38 C ATOM 2750 CD1 LEU B 77 -8.116 4.099 -1.289 1.00 1.11 C ATOM 2751 CD2 LEU B 77 -8.709 2.004 -0.067 1.00 1.14 C ATOM 0 H LEU B 77 -6.197 0.484 -3.901 1.00 0.28 H new ATOM 0 HA LEU B 77 -6.462 3.230 -3.590 1.00 0.26 H new ATOM 0 HB2 LEU B 77 -8.248 1.897 -2.836 1.00 0.30 H new ATOM 0 HB3 LEU B 77 -7.203 0.840 -1.908 1.00 0.30 H new ATOM 0 HG LEU B 77 -6.748 2.768 -0.346 1.00 0.38 H new ATOM 0 HD11 LEU B 77 -8.323 4.662 -0.379 1.00 1.11 H new ATOM 0 HD12 LEU B 77 -7.328 4.598 -1.853 1.00 1.11 H new ATOM 0 HD13 LEU B 77 -9.020 4.047 -1.896 1.00 1.11 H new ATOM 0 HD21 LEU B 77 -8.902 2.603 0.823 1.00 1.14 H new ATOM 0 HD22 LEU B 77 -9.632 1.890 -0.635 1.00 1.14 H new ATOM 0 HD23 LEU B 77 -8.342 1.021 0.230 1.00 1.14 H new ATOM 2763 N VAL B 78 -4.391 1.810 -1.444 1.00 0.24 N ATOM 2764 CA VAL B 78 -3.333 2.086 -0.488 1.00 0.25 C ATOM 2765 C VAL B 78 -2.220 2.853 -1.168 1.00 0.27 C ATOM 2766 O VAL B 78 -1.563 3.671 -0.555 1.00 0.28 O ATOM 2767 CB VAL B 78 -2.746 0.807 0.120 1.00 0.29 C ATOM 2768 CG1 VAL B 78 -1.879 1.150 1.313 1.00 0.33 C ATOM 2769 CG2 VAL B 78 -3.850 -0.164 0.508 1.00 0.31 C ATOM 0 H VAL B 78 -4.547 0.820 -1.632 1.00 0.24 H new ATOM 0 HA VAL B 78 -3.775 2.672 0.318 1.00 0.25 H new ATOM 0 HB VAL B 78 -2.124 0.317 -0.629 1.00 0.29 H new ATOM 0 HG11 VAL B 78 -1.467 0.235 1.738 1.00 0.33 H new ATOM 0 HG12 VAL B 78 -1.065 1.802 0.996 1.00 0.33 H new ATOM 0 HG13 VAL B 78 -2.480 1.660 2.065 1.00 0.33 H new ATOM 0 HG21 VAL B 78 -3.409 -1.064 0.937 1.00 0.31 H new ATOM 0 HG22 VAL B 78 -4.505 0.305 1.242 1.00 0.31 H new ATOM 0 HG23 VAL B 78 -4.428 -0.430 -0.377 1.00 0.31 H new ATOM 2779 N ALA B 79 -2.022 2.578 -2.444 1.00 0.31 N ATOM 2780 CA ALA B 79 -1.068 3.322 -3.240 1.00 0.36 C ATOM 2781 C ALA B 79 -1.454 4.798 -3.260 1.00 0.33 C ATOM 2782 O ALA B 79 -0.642 5.679 -2.981 1.00 0.34 O ATOM 2783 CB ALA B 79 -1.024 2.757 -4.650 1.00 0.43 C ATOM 0 H ALA B 79 -2.512 1.841 -2.952 1.00 0.31 H new ATOM 0 HA ALA B 79 -0.075 3.230 -2.800 1.00 0.36 H new ATOM 0 HB1 ALA B 79 -0.305 3.320 -5.245 1.00 0.43 H new ATOM 0 HB2 ALA B 79 -0.724 1.710 -4.613 1.00 0.43 H new ATOM 0 HB3 ALA B 79 -2.012 2.836 -5.104 1.00 0.43 H new ATOM 2789 N ILE B 80 -2.721 5.042 -3.565 1.00 0.32 N ATOM 2790 CA ILE B 80 -3.292 6.382 -3.535 1.00 0.32 C ATOM 2791 C ILE B 80 -3.125 7.003 -2.148 1.00 0.28 C ATOM 2792 O ILE B 80 -2.733 8.162 -2.006 1.00 0.31 O ATOM 2793 CB ILE B 80 -4.804 6.347 -3.912 1.00 0.34 C ATOM 2794 CG1 ILE B 80 -5.010 6.275 -5.433 1.00 0.38 C ATOM 2795 CG2 ILE B 80 -5.546 7.552 -3.348 1.00 0.36 C ATOM 2796 CD1 ILE B 80 -4.419 5.050 -6.094 1.00 0.40 C ATOM 0 H ILE B 80 -3.383 4.316 -3.840 1.00 0.32 H new ATOM 0 HA ILE B 80 -2.760 6.990 -4.267 1.00 0.32 H new ATOM 0 HB ILE B 80 -5.216 5.442 -3.466 1.00 0.34 H new ATOM 0 HG12 ILE B 80 -6.079 6.304 -5.643 1.00 0.38 H new ATOM 0 HG13 ILE B 80 -4.572 7.163 -5.888 1.00 0.38 H new ATOM 0 HG21 ILE B 80 -6.598 7.496 -3.629 1.00 0.36 H new ATOM 0 HG22 ILE B 80 -5.461 7.556 -2.261 1.00 0.36 H new ATOM 0 HG23 ILE B 80 -5.111 8.467 -3.749 1.00 0.36 H new ATOM 0 HD11 ILE B 80 -4.613 5.085 -7.166 1.00 0.40 H new ATOM 0 HD12 ILE B 80 -3.343 5.026 -5.921 1.00 0.40 H new ATOM 0 HD13 ILE B 80 -4.874 4.154 -5.672 1.00 0.40 H new ATOM 2808 N ALA B 81 -3.395 6.204 -1.134 1.00 0.23 N ATOM 2809 CA ALA B 81 -3.426 6.669 0.239 1.00 0.23 C ATOM 2810 C ALA B 81 -2.026 6.888 0.819 1.00 0.23 C ATOM 2811 O ALA B 81 -1.836 7.736 1.686 1.00 0.28 O ATOM 2812 CB ALA B 81 -4.219 5.687 1.076 1.00 0.24 C ATOM 0 H ALA B 81 -3.600 5.210 -1.240 1.00 0.23 H new ATOM 0 HA ALA B 81 -3.913 7.644 0.257 1.00 0.23 H new ATOM 0 HB1 ALA B 81 -4.247 6.030 2.110 1.00 0.24 H new ATOM 0 HB2 ALA B 81 -5.236 5.617 0.689 1.00 0.24 H new ATOM 0 HB3 ALA B 81 -3.746 4.706 1.032 1.00 0.24 H new ATOM 2818 N LEU B 82 -1.054 6.128 0.340 1.00 0.22 N ATOM 2819 CA LEU B 82 0.328 6.288 0.773 1.00 0.23 C ATOM 2820 C LEU B 82 0.915 7.562 0.190 1.00 0.24 C ATOM 2821 O LEU B 82 1.666 8.278 0.858 1.00 0.30 O ATOM 2822 CB LEU B 82 1.171 5.084 0.359 1.00 0.25 C ATOM 2823 CG LEU B 82 0.874 3.783 1.104 1.00 0.27 C ATOM 2824 CD1 LEU B 82 1.678 2.646 0.511 1.00 0.33 C ATOM 2825 CD2 LEU B 82 1.185 3.929 2.583 1.00 0.32 C ATOM 0 H LEU B 82 -1.196 5.391 -0.351 1.00 0.22 H new ATOM 0 HA LEU B 82 0.339 6.356 1.861 1.00 0.23 H new ATOM 0 HB2 LEU B 82 1.027 4.912 -0.708 1.00 0.25 H new ATOM 0 HB3 LEU B 82 2.223 5.332 0.503 1.00 0.25 H new ATOM 0 HG LEU B 82 -0.187 3.559 0.996 1.00 0.27 H new ATOM 0 HD11 LEU B 82 1.458 1.725 1.050 1.00 0.33 H new ATOM 0 HD12 LEU B 82 1.415 2.523 -0.540 1.00 0.33 H new ATOM 0 HD13 LEU B 82 2.741 2.870 0.595 1.00 0.33 H new ATOM 0 HD21 LEU B 82 0.967 2.992 3.095 1.00 0.32 H new ATOM 0 HD22 LEU B 82 2.239 4.175 2.711 1.00 0.32 H new ATOM 0 HD23 LEU B 82 0.573 4.725 3.007 1.00 0.32 H new ATOM 2837 N LYS B 83 0.573 7.847 -1.063 1.00 0.26 N ATOM 2838 CA LYS B 83 0.918 9.133 -1.649 1.00 0.33 C ATOM 2839 C LYS B 83 0.184 10.231 -0.899 1.00 0.31 C ATOM 2840 O LYS B 83 0.729 11.289 -0.652 1.00 0.44 O ATOM 2841 CB LYS B 83 0.571 9.203 -3.141 1.00 0.42 C ATOM 2842 CG LYS B 83 1.525 8.463 -4.065 1.00 0.66 C ATOM 2843 CD LYS B 83 2.994 8.791 -3.810 1.00 1.04 C ATOM 2844 CE LYS B 83 3.309 10.204 -4.209 1.00 0.80 C ATOM 2845 NZ LYS B 83 4.758 10.517 -4.135 1.00 1.67 N ATOM 0 H LYS B 83 0.065 7.215 -1.682 1.00 0.26 H new ATOM 0 HA LYS B 83 1.997 9.265 -1.562 1.00 0.33 H new ATOM 0 HB2 LYS B 83 -0.432 8.801 -3.283 1.00 0.42 H new ATOM 0 HB3 LYS B 83 0.540 10.250 -3.441 1.00 0.42 H new ATOM 0 HG2 LYS B 83 1.374 7.390 -3.947 1.00 0.66 H new ATOM 0 HG3 LYS B 83 1.280 8.707 -5.099 1.00 0.66 H new ATOM 0 HD2 LYS B 83 3.224 8.648 -2.754 1.00 1.04 H new ATOM 0 HD3 LYS B 83 3.626 8.102 -4.370 1.00 1.04 H new ATOM 0 HE2 LYS B 83 2.957 10.376 -5.226 1.00 0.80 H new ATOM 0 HE3 LYS B 83 2.761 10.889 -3.562 1.00 0.80 H new ATOM 0 HZ1 LYS B 83 4.915 11.504 -4.421 1.00 1.67 H new ATOM 0 HZ2 LYS B 83 5.093 10.382 -3.160 1.00 1.67 H new ATOM 0 HZ3 LYS B 83 5.283 9.884 -4.772 1.00 1.67 H new ATOM 2859 N ALA B 84 -1.050 9.956 -0.516 1.00 0.31 N ATOM 2860 CA ALA B 84 -1.830 10.895 0.276 1.00 0.35 C ATOM 2861 C ALA B 84 -1.205 11.121 1.648 1.00 0.33 C ATOM 2862 O ALA B 84 -1.468 12.127 2.294 1.00 0.40 O ATOM 2863 CB ALA B 84 -3.257 10.404 0.427 1.00 0.48 C ATOM 0 H ALA B 84 -1.536 9.088 -0.741 1.00 0.31 H new ATOM 0 HA ALA B 84 -1.836 11.848 -0.253 1.00 0.35 H new ATOM 0 HB1 ALA B 84 -3.826 11.118 1.022 1.00 0.48 H new ATOM 0 HB2 ALA B 84 -3.714 10.306 -0.558 1.00 0.48 H new ATOM 0 HB3 ALA B 84 -3.257 9.435 0.925 1.00 0.48 H new ATOM 2869 N ALA B 85 -0.394 10.170 2.094 1.00 0.30 N ATOM 2870 CA ALA B 85 0.239 10.256 3.403 1.00 0.38 C ATOM 2871 C ALA B 85 1.471 11.164 3.381 1.00 0.44 C ATOM 2872 O ALA B 85 1.569 12.093 4.180 1.00 0.57 O ATOM 2873 CB ALA B 85 0.601 8.868 3.904 1.00 0.42 C ATOM 0 H ALA B 85 -0.159 9.329 1.567 1.00 0.30 H new ATOM 0 HA ALA B 85 -0.479 10.703 4.091 1.00 0.38 H new ATOM 0 HB1 ALA B 85 1.073 8.946 4.883 1.00 0.42 H new ATOM 0 HB2 ALA B 85 -0.302 8.263 3.984 1.00 0.42 H new ATOM 0 HB3 ALA B 85 1.292 8.397 3.205 1.00 0.42 H new ATOM 2879 N HIS B 86 2.415 10.902 2.477 1.00 0.44 N ATOM 2880 CA HIS B 86 3.637 11.713 2.412 1.00 0.59 C ATOM 2881 C HIS B 86 3.418 12.953 1.552 1.00 0.63 C ATOM 2882 O HIS B 86 3.812 14.060 1.916 1.00 0.72 O ATOM 2883 CB HIS B 86 4.814 10.916 1.856 1.00 0.69 C ATOM 2884 CG HIS B 86 6.125 11.617 2.052 1.00 1.28 C ATOM 2885 ND1 HIS B 86 6.751 12.344 1.063 1.00 2.06 N ATOM 2886 CD2 HIS B 86 6.915 11.722 3.144 1.00 2.11 C ATOM 2887 CE1 HIS B 86 7.866 12.863 1.539 1.00 2.66 C ATOM 2888 NE2 HIS B 86 7.989 12.502 2.800 1.00 2.68 N ATOM 0 H HIS B 86 2.363 10.150 1.790 1.00 0.44 H new ATOM 0 HA HIS B 86 3.873 12.015 3.432 1.00 0.59 H new ATOM 0 HB2 HIS B 86 4.851 9.941 2.342 1.00 0.69 H new ATOM 0 HB3 HIS B 86 4.657 10.736 0.792 1.00 0.69 H new ATOM 0 HD2 HIS B 86 6.734 11.274 4.110 1.00 2.11 H new ATOM 0 HE1 HIS B 86 8.561 13.480 0.988 1.00 2.66 H new ATOM 0 HE2 HIS B 86 8.757 12.760 3.419 1.00 2.68 H new ATOM 2897 N TYR B 87 2.777 12.744 0.416 1.00 0.58 N ATOM 2898 CA TYR B 87 2.432 13.805 -0.528 1.00 0.65 C ATOM 2899 C TYR B 87 1.127 14.473 -0.085 1.00 0.62 C ATOM 2900 O TYR B 87 0.364 14.982 -0.907 1.00 0.66 O ATOM 2901 CB TYR B 87 2.334 13.254 -1.958 1.00 0.69 C ATOM 2902 CG TYR B 87 2.329 14.314 -3.037 1.00 0.87 C ATOM 2903 CD1 TYR B 87 3.307 15.297 -3.074 1.00 1.63 C ATOM 2904 CD2 TYR B 87 1.353 14.321 -4.027 1.00 1.43 C ATOM 2905 CE1 TYR B 87 3.313 16.258 -4.063 1.00 1.80 C ATOM 2906 CE2 TYR B 87 1.353 15.282 -5.019 1.00 1.54 C ATOM 2907 CZ TYR B 87 2.335 16.248 -5.032 1.00 1.29 C ATOM 2908 OH TYR B 87 2.343 17.206 -6.021 1.00 1.51 O ATOM 0 H TYR B 87 2.474 11.818 0.114 1.00 0.58 H new ATOM 0 HA TYR B 87 3.221 14.557 -0.533 1.00 0.65 H new ATOM 0 HB2 TYR B 87 3.172 12.579 -2.133 1.00 0.69 H new ATOM 0 HB3 TYR B 87 1.424 12.661 -2.044 1.00 0.69 H new ATOM 0 HD1 TYR B 87 4.076 15.310 -2.316 1.00 1.63 H new ATOM 0 HD2 TYR B 87 0.583 13.564 -4.020 1.00 1.43 H new ATOM 0 HE1 TYR B 87 4.082 17.016 -4.077 1.00 1.80 H new ATOM 0 HE2 TYR B 87 0.587 15.276 -5.780 1.00 1.54 H new ATOM 0 HH TYR B 87 1.587 17.058 -6.626 1.00 1.51 H new ATOM 2918 N HIS B 88 0.855 14.325 1.221 1.00 0.59 N ATOM 2919 CA HIS B 88 -0.333 14.836 1.942 1.00 0.62 C ATOM 2920 C HIS B 88 -0.680 16.315 1.659 1.00 0.70 C ATOM 2921 O HIS B 88 -1.414 16.936 2.425 1.00 0.76 O ATOM 2922 CB HIS B 88 -0.059 14.681 3.445 1.00 0.65 C ATOM 2923 CG HIS B 88 -1.254 14.348 4.289 1.00 1.54 C ATOM 2924 ND1 HIS B 88 -1.266 13.293 5.174 1.00 2.37 N ATOM 2925 CD2 HIS B 88 -2.462 14.945 4.407 1.00 2.40 C ATOM 2926 CE1 HIS B 88 -2.424 13.254 5.798 1.00 3.26 C ATOM 2927 NE2 HIS B 88 -3.169 14.245 5.352 1.00 3.27 N ATOM 0 H HIS B 88 1.489 13.819 1.840 1.00 0.59 H new ATOM 0 HA HIS B 88 -1.189 14.258 1.593 1.00 0.62 H new ATOM 0 HB2 HIS B 88 0.689 13.900 3.581 1.00 0.65 H new ATOM 0 HB3 HIS B 88 0.378 15.609 3.814 1.00 0.65 H new ATOM 0 HD2 HIS B 88 -2.806 15.810 3.860 1.00 2.40 H new ATOM 0 HE1 HIS B 88 -2.714 12.533 6.548 1.00 3.26 H new ATOM 0 HE2 HIS B 88 -4.118 14.458 5.660 1.00 3.27 H new ATOM 2936 N THR B 89 -0.167 16.875 0.584 1.00 0.73 N ATOM 2937 CA THR B 89 -0.477 18.241 0.224 1.00 0.81 C ATOM 2938 C THR B 89 -1.750 18.262 -0.624 1.00 0.72 C ATOM 2939 O THR B 89 -2.652 19.069 -0.388 1.00 1.05 O ATOM 2940 CB THR B 89 0.709 18.910 -0.520 1.00 0.97 C ATOM 2941 OG1 THR B 89 0.364 20.244 -0.919 1.00 1.27 O ATOM 2942 CG2 THR B 89 1.140 18.100 -1.740 1.00 0.90 C ATOM 0 H THR B 89 0.469 16.402 -0.058 1.00 0.73 H new ATOM 0 HA THR B 89 -0.647 18.819 1.132 1.00 0.81 H new ATOM 0 HB THR B 89 1.548 18.947 0.175 1.00 0.97 H new ATOM 0 HG1 THR B 89 -0.226 20.209 -1.701 1.00 1.27 H new ATOM 0 HG21 THR B 89 1.973 18.601 -2.234 1.00 0.90 H new ATOM 0 HG22 THR B 89 1.452 17.104 -1.424 1.00 0.90 H new ATOM 0 HG23 THR B 89 0.304 18.015 -2.434 1.00 0.90 H new ATOM 2950 N HIS B 90 -1.811 17.337 -1.585 1.00 0.66 N ATOM 2951 CA HIS B 90 -2.975 17.113 -2.442 1.00 0.65 C ATOM 2952 C HIS B 90 -2.584 16.188 -3.582 1.00 0.94 C ATOM 2953 O HIS B 90 -2.365 16.624 -4.710 1.00 1.78 O ATOM 2954 CB HIS B 90 -3.603 18.407 -3.008 1.00 0.91 C ATOM 2955 CG HIS B 90 -2.691 19.281 -3.828 1.00 1.72 C ATOM 2956 ND1 HIS B 90 -1.575 19.968 -3.491 1.00 2.44 N flip ATOM 2957 CD2 HIS B 90 -2.907 19.545 -5.163 1.00 2.68 C flip ATOM 2958 CE1 HIS B 90 -1.143 20.624 -4.612 1.00 3.32 C flip ATOM 2959 NE2 HIS B 90 -1.965 20.353 -5.608 1.00 3.47 N flip ATOM 0 H HIS B 90 -1.034 16.709 -1.793 1.00 0.66 H new ATOM 0 HA HIS B 90 -3.742 16.661 -1.813 1.00 0.65 H new ATOM 0 HB2 HIS B 90 -4.460 18.132 -3.623 1.00 0.91 H new ATOM 0 HB3 HIS B 90 -3.985 18.996 -2.174 1.00 0.91 H new ATOM 0 HD2 HIS B 90 -3.721 19.151 -5.753 1.00 2.68 H new ATOM 0 HE1 HIS B 90 -0.272 21.259 -4.672 1.00 3.32 H new ATOM 0 HE2 HIS B 90 -1.885 20.708 -6.561 1.00 3.47 H new