USER MOD reduce.3.24.130724 H: found=0, std=0, add=1224, rem=0, adj=28 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 13 ASN : amide:sc= 0.742 K(o=1.6,f=-3.1) USER MOD Set 1.2: B 16 HIS : no HE2:sc= 0.855 K(o=1.6,f=-5!) USER MOD Set 2.1: A 13 ASN : amide:sc= 0.731 K(o=1.6,f=-3) USER MOD Set 2.2: A 16 HIS : no HE2:sc= 0.839 K(o=1.6,f=-4.9!) USER MOD Single : A 7 HIS : no HD1:sc= -2.72! C(o=-2.7!,f=-3.8!) USER MOD Single : A 17 GLN : amide:sc= 0.444 X(o=0.44,f=-0.0095) USER MOD Single : A 29 SER OG : rot 180:sc= 0.0137 USER MOD Single : A 30 LYS NZ :NH3+ -118:sc= -0.943 (180deg=-2.5!) USER MOD Single : A 34 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.144) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot -93:sc= 1.19 USER MOD Single : A 39 LYS NZ :NH3+ -162:sc= 1.21 (180deg=0.795) USER MOD Single : A 43 ASN : amide:sc= -0.104 X(o=-0.1,f=-0.44) USER MOD Single : A 44 THR OG1 : rot -40:sc= -1.89! USER MOD Single : A 46 LYS NZ :NH3+ -166:sc= -0.0547 (180deg=-0.295) USER MOD Single : A 47 ASN : amide:sc= -0.255 K(o=-0.26,f=-2.9!) USER MOD Single : A 49 LYS NZ :NH3+ -164:sc= -0.0404 (180deg=-0.275) USER MOD Single : A 51 LYS NZ :NH3+ -169:sc=-0.00498 (180deg=-0.14) USER MOD Single : A 59 GLN : amide:sc= -0.337 X(o=-0.34,f=-0.091) USER MOD Single : A 64 ASN : amide:sc= -0.011 X(o=-0.011,f=-0.44) USER MOD Single : A 65 GLN : amide:sc= -0.16 K(o=-0.16,f=-0.85) USER MOD Single : A 68 GLN : amide:sc= 0.827 K(o=0.83,f=-1.1) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot 71:sc= 0.134 USER MOD Single : A 83 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.031) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 HIS : no HD1:sc= 0.549 K(o=0.55,f=-4.9!) USER MOD Single : A 89 THR OG1 : rot -40:sc= 0.6 USER MOD Single : A 90 HIS : no HD1:sc= -0.0405 X(o=-0.04,f=-0.1) USER MOD Single : B 7 HIS : no HD1:sc= -2.95! C(o=-2.9!,f=-3.9!) USER MOD Single : B 17 GLN : amide:sc= 0.399 X(o=0.4,f=0) USER MOD Single : B 29 SER OG : rot 180:sc= 0.0012 USER MOD Single : B 30 LYS NZ :NH3+ -118:sc= -0.968! (180deg=-2.72!) USER MOD Single : B 34 LYS NZ :NH3+ 169:sc= -0.0124 (180deg=-0.146) USER MOD Single : B 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 38 THR OG1 : rot -99:sc= 1.26 USER MOD Single : B 39 LYS NZ :NH3+ -162:sc= 1.24 (180deg=1.02) USER MOD Single : B 43 ASN : amide:sc= -0.0894 X(o=-0.089,f=-0.44) USER MOD Single : B 44 THR OG1 : rot -49:sc= -1.99! USER MOD Single : B 46 LYS NZ :NH3+ -166:sc= -0.0418 (180deg=-0.316) USER MOD Single : B 47 ASN : amide:sc= -0.285 K(o=-0.29,f=-3!) USER MOD Single : B 49 LYS NZ :NH3+ -164:sc= -0.0361 (180deg=-0.273) USER MOD Single : B 51 LYS NZ :NH3+ -170:sc= -0.0192 (180deg=-0.127) USER MOD Single : B 59 GLN : amide:sc= -0.249 X(o=-0.25,f=-0.061) USER MOD Single : B 64 ASN : amide:sc=-0.000409 X(o=-0.00041,f=-0.4) USER MOD Single : B 65 GLN : amide:sc= -0.191 K(o=-0.19,f=-0.84) USER MOD Single : B 68 GLN : amide:sc= 0.859 K(o=0.86,f=-0.98) USER MOD Single : B 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 76 SER OG : rot 70:sc= 0.134 USER MOD Single : B 83 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0256) USER MOD Single : B 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 87 TYR OH : rot 180:sc= 0 USER MOD Single : B 88 HIS : no HD1:sc= 0.569 K(o=0.57,f=-4.9!) USER MOD Single : B 89 THR OG1 : rot -47:sc= 0.63 USER MOD Single : B 90 HIS : no HD1:sc= -0.0416 X(o=-0.042,f=-0.086) USER MOD ----------------------------------------------------------------- ATOM 75 N GLU A 5 -5.197 6.721 9.177 1.00 1.20 N ATOM 76 CA GLU A 5 -3.958 6.852 8.384 1.00 0.93 C ATOM 77 C GLU A 5 -2.702 6.416 9.146 1.00 0.69 C ATOM 78 O GLU A 5 -1.584 6.748 8.753 1.00 0.68 O ATOM 79 CB GLU A 5 -3.779 8.273 7.824 1.00 1.39 C ATOM 80 CG GLU A 5 -3.714 9.377 8.866 1.00 1.80 C ATOM 81 CD GLU A 5 -3.542 10.748 8.252 1.00 2.48 C ATOM 82 OE1 GLU A 5 -4.370 11.127 7.400 1.00 3.00 O ATOM 83 OE2 GLU A 5 -2.576 11.451 8.625 1.00 3.10 O ATOM 0 HA GLU A 5 -4.079 6.164 7.547 1.00 0.93 H new ATOM 0 HB2 GLU A 5 -2.864 8.300 7.232 1.00 1.39 H new ATOM 0 HB3 GLU A 5 -4.605 8.485 7.145 1.00 1.39 H new ATOM 0 HG2 GLU A 5 -4.626 9.362 9.463 1.00 1.80 H new ATOM 0 HG3 GLU A 5 -2.885 9.181 9.546 1.00 1.80 H new ATOM 90 N GLU A 6 -2.887 5.637 10.203 1.00 0.68 N ATOM 91 CA GLU A 6 -1.777 5.155 11.009 1.00 0.67 C ATOM 92 C GLU A 6 -0.953 4.147 10.219 1.00 0.54 C ATOM 93 O GLU A 6 0.267 4.078 10.349 1.00 0.60 O ATOM 94 CB GLU A 6 -2.319 4.546 12.310 1.00 0.78 C ATOM 95 CG GLU A 6 -1.308 3.750 13.117 1.00 1.07 C ATOM 96 CD GLU A 6 -1.458 2.257 12.914 1.00 1.79 C ATOM 97 OE1 GLU A 6 -2.359 1.661 13.546 1.00 2.48 O ATOM 98 OE2 GLU A 6 -0.685 1.676 12.129 1.00 2.51 O ATOM 0 H GLU A 6 -3.804 5.324 10.523 1.00 0.68 H new ATOM 0 HA GLU A 6 -1.120 5.985 11.267 1.00 0.67 H new ATOM 0 HB2 GLU A 6 -2.708 5.350 12.935 1.00 0.78 H new ATOM 0 HB3 GLU A 6 -3.159 3.896 12.067 1.00 0.78 H new ATOM 0 HG2 GLU A 6 -0.300 4.054 12.833 1.00 1.07 H new ATOM 0 HG3 GLU A 6 -1.426 3.984 14.175 1.00 1.07 H new ATOM 105 N HIS A 7 -1.628 3.393 9.368 1.00 0.42 N ATOM 106 CA HIS A 7 -0.961 2.387 8.563 1.00 0.38 C ATOM 107 C HIS A 7 -0.348 3.016 7.320 1.00 0.35 C ATOM 108 O HIS A 7 0.690 2.564 6.844 1.00 0.39 O ATOM 109 CB HIS A 7 -1.926 1.256 8.196 1.00 0.43 C ATOM 110 CG HIS A 7 -2.314 0.416 9.375 1.00 0.95 C ATOM 111 ND1 HIS A 7 -1.778 -0.826 9.623 1.00 1.73 N ATOM 112 CD2 HIS A 7 -3.156 0.669 10.403 1.00 1.60 C ATOM 113 CE1 HIS A 7 -2.266 -1.294 10.755 1.00 2.16 C ATOM 114 NE2 HIS A 7 -3.107 -0.407 11.253 1.00 2.03 N ATOM 0 H HIS A 7 -2.635 3.459 9.218 1.00 0.42 H new ATOM 0 HA HIS A 7 -0.153 1.954 9.153 1.00 0.38 H new ATOM 0 HB2 HIS A 7 -2.824 1.682 7.748 1.00 0.43 H new ATOM 0 HB3 HIS A 7 -1.463 0.621 7.440 1.00 0.43 H new ATOM 0 HD2 HIS A 7 -3.758 1.557 10.531 1.00 1.60 H new ATOM 0 HE1 HIS A 7 -2.018 -2.246 11.201 1.00 2.16 H new ATOM 0 HE2 HIS A 7 -3.632 -0.505 12.122 1.00 2.03 H new ATOM 123 N LEU A 8 -0.979 4.077 6.823 1.00 0.34 N ATOM 124 CA LEU A 8 -0.478 4.795 5.653 1.00 0.32 C ATOM 125 C LEU A 8 0.734 5.624 6.011 1.00 0.33 C ATOM 126 O LEU A 8 1.825 5.420 5.479 1.00 0.33 O ATOM 127 CB LEU A 8 -1.545 5.723 5.100 1.00 0.33 C ATOM 128 CG LEU A 8 -2.833 5.040 4.658 1.00 0.32 C ATOM 129 CD1 LEU A 8 -3.813 6.071 4.149 1.00 0.32 C ATOM 130 CD2 LEU A 8 -2.555 3.990 3.593 1.00 0.33 C ATOM 0 H LEU A 8 -1.840 4.460 7.213 1.00 0.34 H new ATOM 0 HA LEU A 8 -0.207 4.051 4.904 1.00 0.32 H new ATOM 0 HB2 LEU A 8 -1.788 6.465 5.861 1.00 0.33 H new ATOM 0 HB3 LEU A 8 -1.129 6.263 4.250 1.00 0.33 H new ATOM 0 HG LEU A 8 -3.270 4.533 5.518 1.00 0.32 H new ATOM 0 HD11 LEU A 8 -4.732 5.576 3.835 1.00 0.32 H new ATOM 0 HD12 LEU A 8 -4.038 6.783 4.943 1.00 0.32 H new ATOM 0 HD13 LEU A 8 -3.377 6.600 3.301 1.00 0.32 H new ATOM 0 HD21 LEU A 8 -3.491 3.517 3.295 1.00 0.33 H new ATOM 0 HD22 LEU A 8 -2.096 4.464 2.726 1.00 0.33 H new ATOM 0 HD23 LEU A 8 -1.879 3.235 3.994 1.00 0.33 H new ATOM 142 N GLU A 9 0.537 6.559 6.933 1.00 0.37 N ATOM 143 CA GLU A 9 1.615 7.418 7.369 1.00 0.40 C ATOM 144 C GLU A 9 2.644 6.586 8.114 1.00 0.40 C ATOM 145 O GLU A 9 3.805 6.963 8.223 1.00 0.42 O ATOM 146 CB GLU A 9 1.093 8.553 8.249 1.00 0.47 C ATOM 147 CG GLU A 9 2.152 9.593 8.561 1.00 1.24 C ATOM 148 CD GLU A 9 1.629 10.743 9.389 1.00 1.72 C ATOM 149 OE1 GLU A 9 1.424 10.559 10.609 1.00 2.17 O ATOM 150 OE2 GLU A 9 1.433 11.840 8.830 1.00 2.41 O ATOM 0 H GLU A 9 -0.359 6.736 7.388 1.00 0.37 H new ATOM 0 HA GLU A 9 2.082 7.874 6.496 1.00 0.40 H new ATOM 0 HB2 GLU A 9 0.253 9.036 7.750 1.00 0.47 H new ATOM 0 HB3 GLU A 9 0.713 8.137 9.182 1.00 0.47 H new ATOM 0 HG2 GLU A 9 2.976 9.116 9.092 1.00 1.24 H new ATOM 0 HG3 GLU A 9 2.558 9.981 7.627 1.00 1.24 H new ATOM 157 N GLY A 10 2.201 5.442 8.618 1.00 0.40 N ATOM 158 CA GLY A 10 3.109 4.495 9.213 1.00 0.43 C ATOM 159 C GLY A 10 4.113 3.976 8.208 1.00 0.39 C ATOM 160 O GLY A 10 5.301 3.938 8.491 1.00 0.44 O ATOM 0 H GLY A 10 1.222 5.156 8.623 1.00 0.40 H new ATOM 0 HA2 GLY A 10 3.635 4.967 10.043 1.00 0.43 H new ATOM 0 HA3 GLY A 10 2.544 3.660 9.628 1.00 0.43 H new ATOM 164 N ILE A 11 3.633 3.586 7.028 1.00 0.34 N ATOM 165 CA ILE A 11 4.509 3.139 5.947 1.00 0.33 C ATOM 166 C ILE A 11 5.432 4.276 5.519 1.00 0.33 C ATOM 167 O ILE A 11 6.639 4.089 5.346 1.00 0.38 O ATOM 168 CB ILE A 11 3.690 2.643 4.732 1.00 0.35 C ATOM 169 CG1 ILE A 11 3.019 1.300 5.046 1.00 0.41 C ATOM 170 CG2 ILE A 11 4.563 2.529 3.495 1.00 0.50 C ATOM 171 CD1 ILE A 11 3.996 0.171 5.314 1.00 1.16 C ATOM 0 H ILE A 11 2.640 3.571 6.796 1.00 0.34 H new ATOM 0 HA ILE A 11 5.106 2.306 6.319 1.00 0.33 H new ATOM 0 HB ILE A 11 2.912 3.378 4.527 1.00 0.35 H new ATOM 0 HG12 ILE A 11 2.373 1.422 5.916 1.00 0.41 H new ATOM 0 HG13 ILE A 11 2.378 1.021 4.210 1.00 0.41 H new ATOM 0 HG21 ILE A 11 3.962 2.178 2.656 1.00 0.50 H new ATOM 0 HG22 ILE A 11 4.985 3.505 3.256 1.00 0.50 H new ATOM 0 HG23 ILE A 11 5.370 1.821 3.683 1.00 0.50 H new ATOM 0 HD11 ILE A 11 3.444 -0.744 5.528 1.00 1.16 H new ATOM 0 HD12 ILE A 11 4.626 0.019 4.437 1.00 1.16 H new ATOM 0 HD13 ILE A 11 4.621 0.426 6.170 1.00 1.16 H new ATOM 183 N VAL A 12 4.844 5.452 5.363 1.00 0.33 N ATOM 184 CA VAL A 12 5.585 6.683 5.133 1.00 0.38 C ATOM 185 C VAL A 12 6.711 6.850 6.161 1.00 0.40 C ATOM 186 O VAL A 12 7.841 7.210 5.821 1.00 0.45 O ATOM 187 CB VAL A 12 4.605 7.864 5.211 1.00 0.45 C ATOM 188 CG1 VAL A 12 5.325 9.191 5.342 1.00 0.57 C ATOM 189 CG2 VAL A 12 3.718 7.847 3.984 1.00 0.48 C ATOM 0 H VAL A 12 3.833 5.580 5.393 1.00 0.33 H new ATOM 0 HA VAL A 12 6.048 6.648 4.147 1.00 0.38 H new ATOM 0 HB VAL A 12 3.995 7.753 6.108 1.00 0.45 H new ATOM 0 HG11 VAL A 12 4.594 9.998 5.394 1.00 0.57 H new ATOM 0 HG12 VAL A 12 5.929 9.189 6.250 1.00 0.57 H new ATOM 0 HG13 VAL A 12 5.971 9.341 4.477 1.00 0.57 H new ATOM 0 HG21 VAL A 12 3.018 8.682 4.029 1.00 0.48 H new ATOM 0 HG22 VAL A 12 4.333 7.938 3.089 1.00 0.48 H new ATOM 0 HG23 VAL A 12 3.163 6.910 3.949 1.00 0.48 H new ATOM 199 N ASN A 13 6.396 6.550 7.411 1.00 0.42 N ATOM 200 CA ASN A 13 7.348 6.677 8.503 1.00 0.48 C ATOM 201 C ASN A 13 8.321 5.498 8.528 1.00 0.48 C ATOM 202 O ASN A 13 9.370 5.574 9.155 1.00 0.58 O ATOM 203 CB ASN A 13 6.615 6.789 9.842 1.00 0.61 C ATOM 204 CG ASN A 13 7.538 7.187 10.978 1.00 0.75 C ATOM 205 OD1 ASN A 13 8.528 7.895 10.777 1.00 1.31 O ATOM 206 ND2 ASN A 13 7.221 6.741 12.182 1.00 1.42 N ATOM 0 H ASN A 13 5.477 6.213 7.697 1.00 0.42 H new ATOM 0 HA ASN A 13 7.924 7.588 8.340 1.00 0.48 H new ATOM 0 HB2 ASN A 13 5.815 7.524 9.754 1.00 0.61 H new ATOM 0 HB3 ASN A 13 6.146 5.833 10.077 1.00 0.61 H new ATOM 0 HD21 ASN A 13 7.804 6.981 12.984 1.00 1.42 H new ATOM 0 HD22 ASN A 13 6.394 6.158 12.308 1.00 1.42 H new ATOM 213 N ILE A 14 7.968 4.403 7.859 1.00 0.47 N ATOM 214 CA ILE A 14 8.869 3.257 7.747 1.00 0.57 C ATOM 215 C ILE A 14 9.987 3.570 6.752 1.00 0.53 C ATOM 216 O ILE A 14 11.145 3.180 6.949 1.00 0.60 O ATOM 217 CB ILE A 14 8.132 1.962 7.318 1.00 0.68 C ATOM 218 CG1 ILE A 14 7.046 1.588 8.333 1.00 1.33 C ATOM 219 CG2 ILE A 14 9.114 0.809 7.169 1.00 1.14 C ATOM 220 CD1 ILE A 14 7.568 1.333 9.733 1.00 2.06 C ATOM 0 H ILE A 14 7.071 4.284 7.389 1.00 0.47 H new ATOM 0 HA ILE A 14 9.288 3.079 8.737 1.00 0.57 H new ATOM 0 HB ILE A 14 7.660 2.153 6.354 1.00 0.68 H new ATOM 0 HG12 ILE A 14 6.309 2.390 8.372 1.00 1.33 H new ATOM 0 HG13 ILE A 14 6.528 0.696 7.982 1.00 1.33 H new ATOM 0 HG21 ILE A 14 8.576 -0.090 6.868 1.00 1.14 H new ATOM 0 HG22 ILE A 14 9.857 1.059 6.411 1.00 1.14 H new ATOM 0 HG23 ILE A 14 9.613 0.631 8.121 1.00 1.14 H new ATOM 0 HD11 ILE A 14 6.737 1.075 10.390 1.00 2.06 H new ATOM 0 HD12 ILE A 14 8.282 0.510 9.711 1.00 2.06 H new ATOM 0 HD13 ILE A 14 8.060 2.231 10.107 1.00 2.06 H new ATOM 232 N PHE A 15 9.652 4.299 5.691 1.00 0.48 N ATOM 233 CA PHE A 15 10.679 4.773 4.772 1.00 0.58 C ATOM 234 C PHE A 15 11.582 5.744 5.524 1.00 0.60 C ATOM 235 O PHE A 15 12.802 5.761 5.350 1.00 0.70 O ATOM 236 CB PHE A 15 10.050 5.456 3.551 1.00 0.68 C ATOM 237 CG PHE A 15 11.015 5.665 2.413 1.00 1.18 C ATOM 238 CD1 PHE A 15 11.871 6.755 2.397 1.00 1.93 C ATOM 239 CD2 PHE A 15 11.063 4.767 1.359 1.00 1.74 C ATOM 240 CE1 PHE A 15 12.755 6.944 1.352 1.00 2.54 C ATOM 241 CE2 PHE A 15 11.945 4.951 0.311 1.00 2.35 C ATOM 242 CZ PHE A 15 12.792 6.041 0.307 1.00 2.57 C ATOM 0 H PHE A 15 8.698 4.569 5.450 1.00 0.48 H new ATOM 0 HA PHE A 15 11.262 3.928 4.406 1.00 0.58 H new ATOM 0 HB2 PHE A 15 9.212 4.854 3.200 1.00 0.68 H new ATOM 0 HB3 PHE A 15 9.644 6.421 3.854 1.00 0.68 H new ATOM 0 HD1 PHE A 15 11.847 7.465 3.211 1.00 1.93 H new ATOM 0 HD2 PHE A 15 10.403 3.912 1.356 1.00 1.74 H new ATOM 0 HE1 PHE A 15 13.417 7.797 1.352 1.00 2.54 H new ATOM 0 HE2 PHE A 15 11.972 4.243 -0.504 1.00 2.35 H new ATOM 0 HZ PHE A 15 13.482 6.188 -0.511 1.00 2.57 H new ATOM 252 N HIS A 16 10.954 6.528 6.394 1.00 0.59 N ATOM 253 CA HIS A 16 11.656 7.443 7.286 1.00 0.71 C ATOM 254 C HIS A 16 12.428 6.668 8.363 1.00 0.75 C ATOM 255 O HIS A 16 13.346 7.200 8.988 1.00 0.88 O ATOM 256 CB HIS A 16 10.651 8.409 7.928 1.00 0.77 C ATOM 257 CG HIS A 16 11.254 9.365 8.912 1.00 1.15 C ATOM 258 ND1 HIS A 16 10.884 9.406 10.238 1.00 1.82 N ATOM 259 CD2 HIS A 16 12.203 10.318 8.759 1.00 1.84 C ATOM 260 CE1 HIS A 16 11.579 10.340 10.859 1.00 2.22 C ATOM 261 NE2 HIS A 16 12.386 10.907 9.985 1.00 2.23 N ATOM 0 H HIS A 16 9.940 6.546 6.500 1.00 0.59 H new ATOM 0 HA HIS A 16 12.379 8.017 6.706 1.00 0.71 H new ATOM 0 HB2 HIS A 16 10.159 8.979 7.140 1.00 0.77 H new ATOM 0 HB3 HIS A 16 9.878 7.828 8.431 1.00 0.77 H new ATOM 0 HD1 HIS A 16 10.182 8.807 10.673 1.00 1.82 H new ATOM 0 HD2 HIS A 16 12.719 10.568 7.844 1.00 1.84 H new ATOM 0 HE1 HIS A 16 11.500 10.596 11.905 1.00 2.22 H new ATOM 270 N GLN A 17 12.034 5.423 8.596 1.00 0.69 N ATOM 271 CA GLN A 17 12.714 4.575 9.563 1.00 0.81 C ATOM 272 C GLN A 17 14.136 4.303 9.096 1.00 0.93 C ATOM 273 O GLN A 17 15.087 4.442 9.869 1.00 1.18 O ATOM 274 CB GLN A 17 11.948 3.268 9.773 1.00 0.85 C ATOM 275 CG GLN A 17 12.573 2.344 10.801 1.00 1.27 C ATOM 276 CD GLN A 17 11.766 1.080 11.005 1.00 1.99 C ATOM 277 OE1 GLN A 17 10.881 1.022 11.860 1.00 2.60 O ATOM 278 NE2 GLN A 17 12.062 0.057 10.220 1.00 2.77 N ATOM 0 H GLN A 17 11.245 4.978 8.127 1.00 0.69 H new ATOM 0 HA GLN A 17 12.752 5.093 10.522 1.00 0.81 H new ATOM 0 HB2 GLN A 17 10.929 3.502 10.082 1.00 0.85 H new ATOM 0 HB3 GLN A 17 11.880 2.742 8.821 1.00 0.85 H new ATOM 0 HG2 GLN A 17 13.582 2.081 10.483 1.00 1.27 H new ATOM 0 HG3 GLN A 17 12.665 2.871 11.751 1.00 1.27 H new ATOM 0 HE21 GLN A 17 12.802 0.146 9.524 1.00 2.77 H new ATOM 0 HE22 GLN A 17 11.550 -0.820 10.311 1.00 2.77 H new ATOM 452 N LEU A 28 17.317 6.796 -3.381 1.00 1.14 N ATOM 453 CA LEU A 28 18.398 5.822 -3.212 1.00 0.90 C ATOM 454 C LEU A 28 18.197 4.577 -4.084 1.00 0.71 C ATOM 455 O LEU A 28 17.224 4.462 -4.836 1.00 0.76 O ATOM 456 CB LEU A 28 18.523 5.413 -1.739 1.00 1.66 C ATOM 457 CG LEU A 28 18.867 6.547 -0.769 1.00 2.02 C ATOM 458 CD1 LEU A 28 18.886 6.036 0.663 1.00 2.91 C ATOM 459 CD2 LEU A 28 20.207 7.172 -1.127 1.00 2.37 C ATOM 0 HA LEU A 28 19.320 6.306 -3.535 1.00 0.90 H new ATOM 0 HB2 LEU A 28 17.582 4.961 -1.424 1.00 1.66 H new ATOM 0 HB3 LEU A 28 19.290 4.643 -1.657 1.00 1.66 H new ATOM 0 HG LEU A 28 18.097 7.314 -0.853 1.00 2.02 H new ATOM 0 HD11 LEU A 28 19.132 6.855 1.338 1.00 2.91 H new ATOM 0 HD12 LEU A 28 17.905 5.636 0.920 1.00 2.91 H new ATOM 0 HD13 LEU A 28 19.635 5.249 0.759 1.00 2.91 H new ATOM 0 HD21 LEU A 28 20.433 7.975 -0.426 1.00 2.37 H new ATOM 0 HD22 LEU A 28 20.988 6.414 -1.074 1.00 2.37 H new ATOM 0 HD23 LEU A 28 20.162 7.575 -2.139 1.00 2.37 H new ATOM 471 N SER A 29 19.158 3.671 -4.015 1.00 0.61 N ATOM 472 CA SER A 29 19.075 2.411 -4.730 1.00 0.49 C ATOM 473 C SER A 29 18.749 1.261 -3.780 1.00 0.44 C ATOM 474 O SER A 29 18.627 1.470 -2.579 1.00 0.53 O ATOM 475 CB SER A 29 20.380 2.162 -5.475 1.00 0.55 C ATOM 476 OG SER A 29 21.503 2.530 -4.685 1.00 1.35 O ATOM 0 H SER A 29 20.010 3.787 -3.467 1.00 0.61 H new ATOM 0 HA SER A 29 18.263 2.467 -5.455 1.00 0.49 H new ATOM 0 HB2 SER A 29 20.452 1.108 -5.745 1.00 0.55 H new ATOM 0 HB3 SER A 29 20.385 2.730 -6.405 1.00 0.55 H new ATOM 0 HG SER A 29 22.327 2.358 -5.187 1.00 1.35 H new ATOM 482 N LYS A 30 18.676 0.049 -4.346 1.00 0.38 N ATOM 483 CA LYS A 30 18.103 -1.146 -3.695 1.00 0.36 C ATOM 484 C LYS A 30 18.616 -1.404 -2.274 1.00 0.36 C ATOM 485 O LYS A 30 17.976 -2.130 -1.516 1.00 0.37 O ATOM 486 CB LYS A 30 18.401 -2.365 -4.568 1.00 0.39 C ATOM 487 CG LYS A 30 17.482 -3.550 -4.322 1.00 0.41 C ATOM 488 CD LYS A 30 17.807 -4.725 -5.238 1.00 0.50 C ATOM 489 CE LYS A 30 17.814 -4.326 -6.710 1.00 0.52 C ATOM 490 NZ LYS A 30 19.134 -3.804 -7.155 1.00 1.32 N ATOM 0 H LYS A 30 19.019 -0.136 -5.288 1.00 0.38 H new ATOM 0 HA LYS A 30 17.033 -0.964 -3.596 1.00 0.36 H new ATOM 0 HB2 LYS A 30 18.327 -2.074 -5.616 1.00 0.39 H new ATOM 0 HB3 LYS A 30 19.431 -2.677 -4.396 1.00 0.39 H new ATOM 0 HG2 LYS A 30 17.568 -3.866 -3.282 1.00 0.41 H new ATOM 0 HG3 LYS A 30 16.447 -3.245 -4.477 1.00 0.41 H new ATOM 0 HD2 LYS A 30 18.781 -5.133 -4.970 1.00 0.50 H new ATOM 0 HD3 LYS A 30 17.075 -5.518 -5.082 1.00 0.50 H new ATOM 0 HE2 LYS A 30 17.545 -5.190 -7.318 1.00 0.52 H new ATOM 0 HE3 LYS A 30 17.051 -3.567 -6.880 1.00 0.52 H new ATOM 0 HZ1 LYS A 30 19.030 -2.817 -7.466 1.00 1.32 H new ATOM 0 HZ2 LYS A 30 19.809 -3.848 -6.365 1.00 1.32 H new ATOM 0 HZ3 LYS A 30 19.487 -4.381 -7.945 1.00 1.32 H new ATOM 504 N GLY A 31 19.764 -0.829 -1.930 1.00 0.39 N ATOM 505 CA GLY A 31 20.387 -1.059 -0.634 1.00 0.40 C ATOM 506 C GLY A 31 19.445 -0.912 0.554 1.00 0.38 C ATOM 507 O GLY A 31 19.476 -1.730 1.479 1.00 0.39 O ATOM 0 H GLY A 31 20.284 -0.196 -2.537 1.00 0.39 H new ATOM 0 HA2 GLY A 31 20.812 -2.062 -0.622 1.00 0.40 H new ATOM 0 HA3 GLY A 31 21.215 -0.360 -0.514 1.00 0.40 H new ATOM 511 N GLU A 32 18.596 0.105 0.528 1.00 0.44 N ATOM 512 CA GLU A 32 17.748 0.410 1.675 1.00 0.50 C ATOM 513 C GLU A 32 16.503 -0.462 1.697 1.00 0.42 C ATOM 514 O GLU A 32 16.108 -0.959 2.750 1.00 0.44 O ATOM 515 CB GLU A 32 17.384 1.897 1.722 1.00 0.67 C ATOM 516 CG GLU A 32 17.278 2.575 0.366 1.00 0.96 C ATOM 517 CD GLU A 32 16.097 2.091 -0.445 1.00 1.58 C ATOM 518 OE1 GLU A 32 14.981 2.588 -0.216 1.00 2.44 O ATOM 519 OE2 GLU A 32 16.287 1.187 -1.288 1.00 2.10 O ATOM 0 H GLU A 32 18.475 0.730 -0.269 1.00 0.44 H new ATOM 0 HA GLU A 32 18.323 0.182 2.572 1.00 0.50 H new ATOM 0 HB2 GLU A 32 16.432 2.006 2.242 1.00 0.67 H new ATOM 0 HB3 GLU A 32 18.133 2.421 2.316 1.00 0.67 H new ATOM 0 HG2 GLU A 32 17.196 3.652 0.510 1.00 0.96 H new ATOM 0 HG3 GLU A 32 18.195 2.397 -0.196 1.00 0.96 H new ATOM 526 N LEU A 33 15.901 -0.645 0.534 1.00 0.38 N ATOM 527 CA LEU A 33 14.768 -1.532 0.379 1.00 0.34 C ATOM 528 C LEU A 33 15.164 -2.929 0.796 1.00 0.29 C ATOM 529 O LEU A 33 14.427 -3.620 1.480 1.00 0.32 O ATOM 530 CB LEU A 33 14.318 -1.551 -1.074 1.00 0.34 C ATOM 531 CG LEU A 33 12.915 -2.091 -1.297 1.00 0.39 C ATOM 532 CD1 LEU A 33 11.883 -1.117 -0.756 1.00 0.52 C ATOM 533 CD2 LEU A 33 12.681 -2.374 -2.768 1.00 0.46 C ATOM 0 H LEU A 33 16.187 -0.181 -0.328 1.00 0.38 H new ATOM 0 HA LEU A 33 13.949 -1.177 1.005 1.00 0.34 H new ATOM 0 HB2 LEU A 33 14.369 -0.537 -1.469 1.00 0.34 H new ATOM 0 HB3 LEU A 33 15.020 -2.154 -1.650 1.00 0.34 H new ATOM 0 HG LEU A 33 12.811 -3.031 -0.755 1.00 0.39 H new ATOM 0 HD11 LEU A 33 10.883 -1.517 -0.923 1.00 0.52 H new ATOM 0 HD12 LEU A 33 12.043 -0.974 0.313 1.00 0.52 H new ATOM 0 HD13 LEU A 33 11.981 -0.160 -1.269 1.00 0.52 H new ATOM 0 HD21 LEU A 33 11.671 -2.760 -2.908 1.00 0.46 H new ATOM 0 HD22 LEU A 33 12.800 -1.453 -3.339 1.00 0.46 H new ATOM 0 HD23 LEU A 33 13.403 -3.113 -3.116 1.00 0.46 H new ATOM 545 N LYS A 34 16.352 -3.319 0.380 1.00 0.29 N ATOM 546 CA LYS A 34 16.903 -4.615 0.710 1.00 0.31 C ATOM 547 C LYS A 34 16.951 -4.810 2.221 1.00 0.35 C ATOM 548 O LYS A 34 16.548 -5.851 2.731 1.00 0.41 O ATOM 549 CB LYS A 34 18.292 -4.725 0.092 1.00 0.34 C ATOM 550 CG LYS A 34 19.040 -6.003 0.440 1.00 0.53 C ATOM 551 CD LYS A 34 20.403 -6.056 -0.238 1.00 0.85 C ATOM 552 CE LYS A 34 21.338 -4.974 0.284 1.00 1.30 C ATOM 553 NZ LYS A 34 21.686 -5.180 1.714 1.00 1.87 N ATOM 0 H LYS A 34 16.963 -2.743 -0.198 1.00 0.29 H new ATOM 0 HA LYS A 34 16.267 -5.402 0.305 1.00 0.31 H new ATOM 0 HB2 LYS A 34 18.200 -4.657 -0.992 1.00 0.34 H new ATOM 0 HB3 LYS A 34 18.888 -3.871 0.415 1.00 0.34 H new ATOM 0 HG2 LYS A 34 19.168 -6.068 1.521 1.00 0.53 H new ATOM 0 HG3 LYS A 34 18.448 -6.866 0.136 1.00 0.53 H new ATOM 0 HD2 LYS A 34 20.853 -7.035 -0.073 1.00 0.85 H new ATOM 0 HD3 LYS A 34 20.278 -5.940 -1.315 1.00 0.85 H new ATOM 0 HE2 LYS A 34 22.250 -4.964 -0.313 1.00 1.30 H new ATOM 0 HE3 LYS A 34 20.867 -3.999 0.163 1.00 1.30 H new ATOM 0 HZ1 LYS A 34 22.473 -4.551 1.974 1.00 1.87 H new ATOM 0 HZ2 LYS A 34 20.859 -4.964 2.307 1.00 1.87 H new ATOM 0 HZ3 LYS A 34 21.970 -6.169 1.863 1.00 1.87 H new ATOM 567 N GLN A 35 17.431 -3.800 2.933 1.00 0.35 N ATOM 568 CA GLN A 35 17.415 -3.823 4.388 1.00 0.43 C ATOM 569 C GLN A 35 15.989 -3.854 4.911 1.00 0.43 C ATOM 570 O GLN A 35 15.587 -4.826 5.544 1.00 0.50 O ATOM 571 CB GLN A 35 18.166 -2.621 4.954 1.00 0.50 C ATOM 572 CG GLN A 35 19.654 -2.872 5.104 1.00 1.07 C ATOM 573 CD GLN A 35 20.395 -1.673 5.652 1.00 1.68 C ATOM 574 OE1 GLN A 35 20.881 -0.834 4.895 1.00 2.46 O ATOM 575 NE2 GLN A 35 20.485 -1.587 6.967 1.00 2.07 N ATOM 0 H GLN A 35 17.836 -2.956 2.527 1.00 0.35 H new ATOM 0 HA GLN A 35 17.920 -4.731 4.718 1.00 0.43 H new ATOM 0 HB2 GLN A 35 18.012 -1.762 4.301 1.00 0.50 H new ATOM 0 HB3 GLN A 35 17.747 -2.362 5.926 1.00 0.50 H new ATOM 0 HG2 GLN A 35 19.810 -3.724 5.766 1.00 1.07 H new ATOM 0 HG3 GLN A 35 20.073 -3.141 4.134 1.00 1.07 H new ATOM 0 HE21 GLN A 35 20.066 -2.307 7.555 1.00 2.07 H new ATOM 0 HE22 GLN A 35 20.974 -0.800 7.394 1.00 2.07 H new ATOM 584 N LEU A 36 15.225 -2.811 4.601 1.00 0.38 N ATOM 585 CA LEU A 36 13.862 -2.655 5.093 1.00 0.39 C ATOM 586 C LEU A 36 13.058 -3.936 4.897 1.00 0.38 C ATOM 587 O LEU A 36 12.442 -4.435 5.818 1.00 0.45 O ATOM 588 CB LEU A 36 13.187 -1.493 4.362 1.00 0.36 C ATOM 589 CG LEU A 36 11.801 -1.092 4.873 1.00 0.40 C ATOM 590 CD1 LEU A 36 11.557 0.376 4.587 1.00 0.45 C ATOM 591 CD2 LEU A 36 10.711 -1.935 4.224 1.00 0.40 C ATOM 0 H LEU A 36 15.536 -2.048 3.999 1.00 0.38 H new ATOM 0 HA LEU A 36 13.900 -2.443 6.161 1.00 0.39 H new ATOM 0 HB2 LEU A 36 13.841 -0.623 4.423 1.00 0.36 H new ATOM 0 HB3 LEU A 36 13.102 -1.754 3.307 1.00 0.36 H new ATOM 0 HG LEU A 36 11.768 -1.266 5.949 1.00 0.40 H new ATOM 0 HD11 LEU A 36 10.570 0.659 4.952 1.00 0.45 H new ATOM 0 HD12 LEU A 36 12.315 0.976 5.091 1.00 0.45 H new ATOM 0 HD13 LEU A 36 11.611 0.551 3.512 1.00 0.45 H new ATOM 0 HD21 LEU A 36 9.737 -1.628 4.606 1.00 0.40 H new ATOM 0 HD22 LEU A 36 10.737 -1.795 3.143 1.00 0.40 H new ATOM 0 HD23 LEU A 36 10.877 -2.987 4.457 1.00 0.40 H new ATOM 603 N LEU A 37 13.090 -4.472 3.697 1.00 0.34 N ATOM 604 CA LEU A 37 12.288 -5.636 3.361 1.00 0.35 C ATOM 605 C LEU A 37 12.715 -6.879 4.136 1.00 0.41 C ATOM 606 O LEU A 37 11.875 -7.577 4.700 1.00 0.45 O ATOM 607 CB LEU A 37 12.367 -5.910 1.867 1.00 0.34 C ATOM 608 CG LEU A 37 11.809 -4.803 0.971 1.00 0.30 C ATOM 609 CD1 LEU A 37 11.881 -5.212 -0.490 1.00 0.38 C ATOM 610 CD2 LEU A 37 10.381 -4.471 1.364 1.00 0.32 C ATOM 0 H LEU A 37 13.665 -4.121 2.931 1.00 0.34 H new ATOM 0 HA LEU A 37 11.260 -5.411 3.644 1.00 0.35 H new ATOM 0 HB2 LEU A 37 13.410 -6.080 1.600 1.00 0.34 H new ATOM 0 HB3 LEU A 37 11.828 -6.834 1.654 1.00 0.34 H new ATOM 0 HG LEU A 37 12.419 -3.910 1.106 1.00 0.30 H new ATOM 0 HD11 LEU A 37 11.480 -4.412 -1.112 1.00 0.38 H new ATOM 0 HD12 LEU A 37 12.919 -5.399 -0.765 1.00 0.38 H new ATOM 0 HD13 LEU A 37 11.296 -6.119 -0.643 1.00 0.38 H new ATOM 0 HD21 LEU A 37 10.000 -3.682 0.716 1.00 0.32 H new ATOM 0 HD22 LEU A 37 9.759 -5.360 1.258 1.00 0.32 H new ATOM 0 HD23 LEU A 37 10.358 -4.133 2.400 1.00 0.32 H new ATOM 622 N THR A 38 14.012 -7.148 4.179 1.00 0.45 N ATOM 623 CA THR A 38 14.509 -8.366 4.800 1.00 0.53 C ATOM 624 C THR A 38 14.288 -8.361 6.307 1.00 0.59 C ATOM 625 O THR A 38 14.124 -9.414 6.920 1.00 0.66 O ATOM 626 CB THR A 38 16.008 -8.586 4.515 1.00 0.55 C ATOM 627 OG1 THR A 38 16.758 -7.416 4.859 1.00 1.23 O ATOM 628 CG2 THR A 38 16.239 -8.925 3.055 1.00 1.03 C ATOM 0 H THR A 38 14.736 -6.542 3.793 1.00 0.45 H new ATOM 0 HA THR A 38 13.940 -9.184 4.358 1.00 0.53 H new ATOM 0 HB THR A 38 16.345 -9.423 5.126 1.00 0.55 H new ATOM 0 HG1 THR A 38 16.852 -6.844 4.069 1.00 1.23 H new ATOM 0 HG21 THR A 38 17.304 -9.075 2.881 1.00 1.03 H new ATOM 0 HG22 THR A 38 15.698 -9.837 2.803 1.00 1.03 H new ATOM 0 HG23 THR A 38 15.881 -8.107 2.430 1.00 1.03 H new ATOM 636 N LYS A 39 14.297 -7.179 6.905 1.00 0.58 N ATOM 637 CA LYS A 39 14.149 -7.069 8.349 1.00 0.66 C ATOM 638 C LYS A 39 12.705 -6.777 8.765 1.00 0.64 C ATOM 639 O LYS A 39 12.225 -7.316 9.763 1.00 0.72 O ATOM 640 CB LYS A 39 15.101 -6.009 8.909 1.00 0.72 C ATOM 641 CG LYS A 39 14.884 -4.626 8.326 1.00 0.68 C ATOM 642 CD LYS A 39 16.081 -3.713 8.549 1.00 0.73 C ATOM 643 CE LYS A 39 16.273 -3.385 10.024 1.00 0.87 C ATOM 644 NZ LYS A 39 15.119 -2.624 10.583 1.00 1.61 N ATOM 0 H LYS A 39 14.404 -6.289 6.418 1.00 0.58 H new ATOM 0 HA LYS A 39 14.413 -8.038 8.774 1.00 0.66 H new ATOM 0 HB2 LYS A 39 14.980 -5.960 9.991 1.00 0.72 H new ATOM 0 HB3 LYS A 39 16.128 -6.318 8.716 1.00 0.72 H new ATOM 0 HG2 LYS A 39 14.688 -4.711 7.257 1.00 0.68 H new ATOM 0 HG3 LYS A 39 13.999 -4.178 8.777 1.00 0.68 H new ATOM 0 HD2 LYS A 39 16.981 -4.192 8.163 1.00 0.73 H new ATOM 0 HD3 LYS A 39 15.944 -2.790 7.986 1.00 0.73 H new ATOM 0 HE2 LYS A 39 16.404 -4.309 10.587 1.00 0.87 H new ATOM 0 HE3 LYS A 39 17.186 -2.803 10.150 1.00 0.87 H new ATOM 0 HZ1 LYS A 39 15.405 -2.162 11.470 1.00 1.61 H new ATOM 0 HZ2 LYS A 39 14.815 -1.902 9.899 1.00 1.61 H new ATOM 0 HZ3 LYS A 39 14.331 -3.276 10.770 1.00 1.61 H new ATOM 658 N GLU A 40 12.009 -5.951 7.992 1.00 0.57 N ATOM 659 CA GLU A 40 10.696 -5.451 8.394 1.00 0.58 C ATOM 660 C GLU A 40 9.579 -6.313 7.821 1.00 0.56 C ATOM 661 O GLU A 40 8.556 -6.534 8.466 1.00 0.64 O ATOM 662 CB GLU A 40 10.506 -3.992 7.942 1.00 0.58 C ATOM 663 CG GLU A 40 11.561 -3.031 8.465 1.00 0.87 C ATOM 664 CD GLU A 40 11.760 -3.113 9.968 1.00 1.14 C ATOM 665 OE1 GLU A 40 11.009 -2.456 10.714 1.00 1.63 O ATOM 666 OE2 GLU A 40 12.693 -3.816 10.411 1.00 1.67 O ATOM 0 H GLU A 40 12.330 -5.613 7.085 1.00 0.57 H new ATOM 0 HA GLU A 40 10.648 -5.497 9.482 1.00 0.58 H new ATOM 0 HB2 GLU A 40 10.509 -3.958 6.853 1.00 0.58 H new ATOM 0 HB3 GLU A 40 9.525 -3.648 8.268 1.00 0.58 H new ATOM 0 HG2 GLU A 40 12.509 -3.239 7.969 1.00 0.87 H new ATOM 0 HG3 GLU A 40 11.278 -2.013 8.199 1.00 0.87 H new ATOM 673 N LEU A 41 9.780 -6.803 6.607 1.00 0.50 N ATOM 674 CA LEU A 41 8.757 -7.582 5.920 1.00 0.49 C ATOM 675 C LEU A 41 9.267 -8.997 5.679 1.00 0.52 C ATOM 676 O LEU A 41 8.878 -9.665 4.717 1.00 0.53 O ATOM 677 CB LEU A 41 8.380 -6.908 4.595 1.00 0.43 C ATOM 678 CG LEU A 41 8.064 -5.408 4.693 1.00 0.51 C ATOM 679 CD1 LEU A 41 7.571 -4.877 3.359 1.00 1.22 C ATOM 680 CD2 LEU A 41 7.043 -5.133 5.790 1.00 1.42 C ATOM 0 H LEU A 41 10.642 -6.676 6.076 1.00 0.50 H new ATOM 0 HA LEU A 41 7.864 -7.633 6.542 1.00 0.49 H new ATOM 0 HB2 LEU A 41 9.199 -7.045 3.889 1.00 0.43 H new ATOM 0 HB3 LEU A 41 7.512 -7.420 4.179 1.00 0.43 H new ATOM 0 HG LEU A 41 8.985 -4.887 4.953 1.00 0.51 H new ATOM 0 HD11 LEU A 41 7.353 -3.813 3.449 1.00 1.22 H new ATOM 0 HD12 LEU A 41 8.340 -5.027 2.601 1.00 1.22 H new ATOM 0 HD13 LEU A 41 6.666 -5.410 3.067 1.00 1.22 H new ATOM 0 HD21 LEU A 41 6.838 -4.063 5.837 1.00 1.42 H new ATOM 0 HD22 LEU A 41 6.120 -5.670 5.571 1.00 1.42 H new ATOM 0 HD23 LEU A 41 7.439 -5.469 6.748 1.00 1.42 H new ATOM 692 N ALA A 42 10.140 -9.431 6.584 1.00 0.58 N ATOM 693 CA ALA A 42 10.816 -10.727 6.499 1.00 0.64 C ATOM 694 C ALA A 42 9.855 -11.896 6.299 1.00 0.71 C ATOM 695 O ALA A 42 10.179 -12.865 5.612 1.00 0.78 O ATOM 696 CB ALA A 42 11.635 -10.957 7.758 1.00 0.71 C ATOM 0 H ALA A 42 10.402 -8.888 7.407 1.00 0.58 H new ATOM 0 HA ALA A 42 11.459 -10.690 5.619 1.00 0.64 H new ATOM 0 HB1 ALA A 42 12.138 -11.922 7.694 1.00 0.71 H new ATOM 0 HB2 ALA A 42 12.379 -10.166 7.858 1.00 0.71 H new ATOM 0 HB3 ALA A 42 10.977 -10.948 8.627 1.00 0.71 H new ATOM 702 N ASN A 43 8.681 -11.806 6.895 1.00 0.74 N ATOM 703 CA ASN A 43 7.744 -12.922 6.892 1.00 0.83 C ATOM 704 C ASN A 43 6.675 -12.750 5.821 1.00 0.83 C ATOM 705 O ASN A 43 5.946 -13.688 5.503 1.00 1.07 O ATOM 706 CB ASN A 43 7.075 -13.046 8.267 1.00 0.99 C ATOM 707 CG ASN A 43 6.172 -14.263 8.376 1.00 1.28 C ATOM 708 OD1 ASN A 43 6.482 -15.332 7.847 1.00 1.56 O ATOM 709 ND2 ASN A 43 5.037 -14.101 9.036 1.00 2.16 N ATOM 0 H ASN A 43 8.351 -10.976 7.387 1.00 0.74 H new ATOM 0 HA ASN A 43 8.307 -13.829 6.670 1.00 0.83 H new ATOM 0 HB2 ASN A 43 7.845 -13.101 9.037 1.00 0.99 H new ATOM 0 HB3 ASN A 43 6.491 -12.147 8.464 1.00 0.99 H new ATOM 0 HD21 ASN A 43 4.381 -14.878 9.121 1.00 2.16 H new ATOM 0 HD22 ASN A 43 4.818 -13.199 9.460 1.00 2.16 H new ATOM 716 N THR A 44 6.608 -11.573 5.228 1.00 0.65 N ATOM 717 CA THR A 44 5.481 -11.231 4.388 1.00 0.61 C ATOM 718 C THR A 44 5.758 -11.607 2.952 1.00 0.59 C ATOM 719 O THR A 44 5.131 -12.507 2.387 1.00 0.66 O ATOM 720 CB THR A 44 5.200 -9.728 4.466 1.00 0.56 C ATOM 721 OG1 THR A 44 5.647 -9.236 5.732 1.00 0.65 O ATOM 722 CG2 THR A 44 3.716 -9.447 4.302 1.00 0.53 C ATOM 0 H THR A 44 7.316 -10.844 5.313 1.00 0.65 H new ATOM 0 HA THR A 44 4.612 -11.785 4.744 1.00 0.61 H new ATOM 0 HB THR A 44 5.734 -9.225 3.659 1.00 0.56 H new ATOM 0 HG1 THR A 44 5.432 -9.889 6.431 1.00 0.65 H new ATOM 0 HG21 THR A 44 3.540 -8.373 4.361 1.00 0.53 H new ATOM 0 HG22 THR A 44 3.381 -9.817 3.333 1.00 0.53 H new ATOM 0 HG23 THR A 44 3.161 -9.949 5.094 1.00 0.53 H new ATOM 730 N ILE A 45 6.728 -10.926 2.384 1.00 0.52 N ATOM 731 CA ILE A 45 7.113 -11.136 1.012 1.00 0.52 C ATOM 732 C ILE A 45 7.863 -12.457 0.898 1.00 0.59 C ATOM 733 O ILE A 45 8.753 -12.736 1.704 1.00 0.60 O ATOM 734 CB ILE A 45 7.998 -9.975 0.532 1.00 0.43 C ATOM 735 CG1 ILE A 45 7.282 -8.634 0.741 1.00 0.39 C ATOM 736 CG2 ILE A 45 8.377 -10.163 -0.932 1.00 0.47 C ATOM 737 CD1 ILE A 45 8.097 -7.437 0.298 1.00 0.36 C ATOM 0 H ILE A 45 7.272 -10.209 2.865 1.00 0.52 H new ATOM 0 HA ILE A 45 6.223 -11.174 0.384 1.00 0.52 H new ATOM 0 HB ILE A 45 8.914 -9.969 1.123 1.00 0.43 H new ATOM 0 HG12 ILE A 45 6.340 -8.645 0.192 1.00 0.39 H new ATOM 0 HG13 ILE A 45 7.035 -8.524 1.797 1.00 0.39 H new ATOM 0 HG21 ILE A 45 9.004 -9.332 -1.255 1.00 0.47 H new ATOM 0 HG22 ILE A 45 8.925 -11.098 -1.049 1.00 0.47 H new ATOM 0 HG23 ILE A 45 7.473 -10.194 -1.541 1.00 0.47 H new ATOM 0 HD11 ILE A 45 7.529 -6.524 0.475 1.00 0.36 H new ATOM 0 HD12 ILE A 45 9.028 -7.401 0.864 1.00 0.36 H new ATOM 0 HD13 ILE A 45 8.322 -7.523 -0.765 1.00 0.36 H new ATOM 749 N LYS A 46 7.484 -13.276 -0.079 1.00 0.67 N ATOM 750 CA LYS A 46 8.042 -14.616 -0.201 1.00 0.73 C ATOM 751 C LYS A 46 9.547 -14.553 -0.374 1.00 0.68 C ATOM 752 O LYS A 46 10.047 -13.848 -1.250 1.00 0.63 O ATOM 753 CB LYS A 46 7.396 -15.386 -1.367 1.00 0.82 C ATOM 754 CG LYS A 46 7.941 -15.053 -2.752 1.00 0.79 C ATOM 755 CD LYS A 46 9.081 -15.992 -3.141 1.00 0.75 C ATOM 756 CE LYS A 46 9.604 -15.688 -4.534 1.00 0.88 C ATOM 757 NZ LYS A 46 8.543 -15.766 -5.568 1.00 1.61 N ATOM 0 H LYS A 46 6.797 -13.036 -0.793 1.00 0.67 H new ATOM 0 HA LYS A 46 7.820 -15.155 0.720 1.00 0.73 H new ATOM 0 HB2 LYS A 46 7.526 -16.454 -1.191 1.00 0.82 H new ATOM 0 HB3 LYS A 46 6.324 -15.190 -1.360 1.00 0.82 H new ATOM 0 HG2 LYS A 46 7.140 -15.126 -3.487 1.00 0.79 H new ATOM 0 HG3 LYS A 46 8.295 -14.022 -2.768 1.00 0.79 H new ATOM 0 HD2 LYS A 46 9.892 -15.899 -2.419 1.00 0.75 H new ATOM 0 HD3 LYS A 46 8.733 -17.024 -3.099 1.00 0.75 H new ATOM 0 HE2 LYS A 46 10.044 -14.691 -4.544 1.00 0.88 H new ATOM 0 HE3 LYS A 46 10.400 -16.390 -4.781 1.00 0.88 H new ATOM 0 HZ1 LYS A 46 8.979 -15.788 -6.512 1.00 1.61 H new ATOM 0 HZ2 LYS A 46 7.982 -16.630 -5.426 1.00 1.61 H new ATOM 0 HZ3 LYS A 46 7.923 -14.935 -5.492 1.00 1.61 H new ATOM 771 N ASN A 47 10.256 -15.270 0.491 1.00 0.71 N ATOM 772 CA ASN A 47 11.708 -15.380 0.409 1.00 0.67 C ATOM 773 C ASN A 47 12.347 -14.011 0.229 1.00 0.59 C ATOM 774 O ASN A 47 13.301 -13.856 -0.531 1.00 0.57 O ATOM 775 CB ASN A 47 12.124 -16.290 -0.751 1.00 0.69 C ATOM 776 CG ASN A 47 11.612 -17.717 -0.619 1.00 0.92 C ATOM 777 OD1 ASN A 47 10.541 -17.966 -0.063 1.00 1.48 O ATOM 778 ND2 ASN A 47 12.370 -18.665 -1.141 1.00 1.24 N ATOM 0 H ASN A 47 9.843 -15.789 1.266 1.00 0.71 H new ATOM 0 HA ASN A 47 12.056 -15.816 1.346 1.00 0.67 H new ATOM 0 HB2 ASN A 47 11.756 -15.866 -1.685 1.00 0.69 H new ATOM 0 HB3 ASN A 47 13.212 -16.308 -0.816 1.00 0.69 H new ATOM 0 HD21 ASN A 47 12.074 -19.640 -1.091 1.00 1.24 H new ATOM 0 HD22 ASN A 47 13.251 -18.422 -1.594 1.00 1.24 H new ATOM 785 N ILE A 48 11.810 -13.020 0.938 1.00 0.55 N ATOM 786 CA ILE A 48 12.266 -11.637 0.821 1.00 0.48 C ATOM 787 C ILE A 48 13.736 -11.509 1.211 1.00 0.48 C ATOM 788 O ILE A 48 14.372 -10.482 1.002 1.00 0.43 O ATOM 789 CB ILE A 48 11.414 -10.703 1.703 1.00 0.46 C ATOM 790 CG1 ILE A 48 11.745 -9.235 1.430 1.00 0.40 C ATOM 791 CG2 ILE A 48 11.618 -11.025 3.173 1.00 0.52 C ATOM 792 CD1 ILE A 48 11.680 -8.855 -0.034 1.00 0.38 C ATOM 0 H ILE A 48 11.051 -13.152 1.606 1.00 0.55 H new ATOM 0 HA ILE A 48 12.153 -11.342 -0.222 1.00 0.48 H new ATOM 0 HB ILE A 48 10.366 -10.868 1.451 1.00 0.46 H new ATOM 0 HG12 ILE A 48 11.053 -8.606 1.990 1.00 0.40 H new ATOM 0 HG13 ILE A 48 12.745 -9.022 1.807 1.00 0.40 H new ATOM 0 HG21 ILE A 48 11.009 -10.356 3.780 1.00 0.52 H new ATOM 0 HG22 ILE A 48 11.323 -12.057 3.364 1.00 0.52 H new ATOM 0 HG23 ILE A 48 12.669 -10.894 3.432 1.00 0.52 H new ATOM 0 HD11 ILE A 48 11.927 -7.799 -0.147 1.00 0.38 H new ATOM 0 HD12 ILE A 48 12.392 -9.457 -0.598 1.00 0.38 H new ATOM 0 HD13 ILE A 48 10.674 -9.035 -0.412 1.00 0.38 H new ATOM 804 N LYS A 49 14.265 -12.580 1.755 1.00 0.56 N ATOM 805 CA LYS A 49 15.636 -12.618 2.201 1.00 0.57 C ATOM 806 C LYS A 49 16.571 -12.872 1.029 1.00 0.55 C ATOM 807 O LYS A 49 17.793 -12.794 1.162 1.00 0.56 O ATOM 808 CB LYS A 49 15.785 -13.706 3.254 1.00 0.65 C ATOM 809 CG LYS A 49 14.758 -13.594 4.367 1.00 0.73 C ATOM 810 CD LYS A 49 14.829 -12.248 5.068 1.00 0.72 C ATOM 811 CE LYS A 49 16.062 -12.118 5.949 1.00 0.82 C ATOM 812 NZ LYS A 49 16.053 -13.088 7.076 1.00 1.11 N ATOM 0 H LYS A 49 13.755 -13.451 1.901 1.00 0.56 H new ATOM 0 HA LYS A 49 15.903 -11.656 2.637 1.00 0.57 H new ATOM 0 HB2 LYS A 49 15.692 -14.682 2.777 1.00 0.65 H new ATOM 0 HB3 LYS A 49 16.786 -13.655 3.683 1.00 0.65 H new ATOM 0 HG2 LYS A 49 13.759 -13.737 3.955 1.00 0.73 H new ATOM 0 HG3 LYS A 49 14.921 -14.391 5.093 1.00 0.73 H new ATOM 0 HD2 LYS A 49 14.833 -11.453 4.323 1.00 0.72 H new ATOM 0 HD3 LYS A 49 13.935 -12.110 5.676 1.00 0.72 H new ATOM 0 HE2 LYS A 49 16.956 -12.274 5.345 1.00 0.82 H new ATOM 0 HE3 LYS A 49 16.118 -11.104 6.345 1.00 0.82 H new ATOM 0 HZ1 LYS A 49 16.749 -12.796 7.791 1.00 1.11 H new ATOM 0 HZ2 LYS A 49 15.106 -13.113 7.505 1.00 1.11 H new ATOM 0 HZ3 LYS A 49 16.298 -14.035 6.721 1.00 1.11 H new ATOM 826 N ASP A 50 15.985 -13.171 -0.124 1.00 0.55 N ATOM 827 CA ASP A 50 16.763 -13.429 -1.326 1.00 0.56 C ATOM 828 C ASP A 50 16.872 -12.172 -2.156 1.00 0.50 C ATOM 829 O ASP A 50 15.876 -11.496 -2.409 1.00 0.47 O ATOM 830 CB ASP A 50 16.135 -14.531 -2.179 1.00 0.62 C ATOM 831 CG ASP A 50 17.186 -15.299 -2.953 1.00 0.97 C ATOM 832 OD1 ASP A 50 17.796 -14.718 -3.870 1.00 1.57 O ATOM 833 OD2 ASP A 50 17.421 -16.487 -2.638 1.00 1.58 O ATOM 0 H ASP A 50 14.975 -13.240 -0.250 1.00 0.55 H new ATOM 0 HA ASP A 50 17.753 -13.756 -1.007 1.00 0.56 H new ATOM 0 HB2 ASP A 50 15.580 -15.216 -1.539 1.00 0.62 H new ATOM 0 HB3 ASP A 50 15.419 -14.092 -2.873 1.00 0.62 H new ATOM 838 N LYS A 51 18.085 -11.867 -2.592 1.00 0.50 N ATOM 839 CA LYS A 51 18.319 -10.703 -3.426 1.00 0.48 C ATOM 840 C LYS A 51 17.658 -10.891 -4.779 1.00 0.50 C ATOM 841 O LYS A 51 17.373 -9.924 -5.468 1.00 0.48 O ATOM 842 CB LYS A 51 19.809 -10.460 -3.620 1.00 0.53 C ATOM 843 CG LYS A 51 20.260 -9.038 -3.293 1.00 0.83 C ATOM 844 CD LYS A 51 19.550 -7.985 -4.141 1.00 0.60 C ATOM 845 CE LYS A 51 19.893 -8.103 -5.623 1.00 0.83 C ATOM 846 NZ LYS A 51 21.342 -7.896 -5.890 1.00 0.92 N ATOM 0 H LYS A 51 18.921 -12.411 -2.381 1.00 0.50 H new ATOM 0 HA LYS A 51 17.887 -9.837 -2.924 1.00 0.48 H new ATOM 0 HB2 LYS A 51 20.364 -11.158 -2.993 1.00 0.53 H new ATOM 0 HB3 LYS A 51 20.070 -10.683 -4.654 1.00 0.53 H new ATOM 0 HG2 LYS A 51 20.073 -8.836 -2.238 1.00 0.83 H new ATOM 0 HG3 LYS A 51 21.336 -8.958 -3.447 1.00 0.83 H new ATOM 0 HD2 LYS A 51 18.472 -8.084 -4.011 1.00 0.60 H new ATOM 0 HD3 LYS A 51 19.824 -6.992 -3.786 1.00 0.60 H new ATOM 0 HE2 LYS A 51 19.597 -9.088 -5.984 1.00 0.83 H new ATOM 0 HE3 LYS A 51 19.315 -7.370 -6.186 1.00 0.83 H new ATOM 0 HZ1 LYS A 51 21.496 -7.800 -6.914 1.00 0.92 H new ATOM 0 HZ2 LYS A 51 21.664 -7.032 -5.409 1.00 0.92 H new ATOM 0 HZ3 LYS A 51 21.881 -8.711 -5.534 1.00 0.92 H new ATOM 860 N ALA A 52 17.415 -12.142 -5.150 1.00 0.55 N ATOM 861 CA ALA A 52 16.703 -12.440 -6.381 1.00 0.60 C ATOM 862 C ALA A 52 15.267 -11.996 -6.240 1.00 0.58 C ATOM 863 O ALA A 52 14.633 -11.554 -7.194 1.00 0.60 O ATOM 864 CB ALA A 52 16.752 -13.925 -6.679 1.00 0.67 C ATOM 0 H ALA A 52 17.701 -12.963 -4.616 1.00 0.55 H new ATOM 0 HA ALA A 52 17.178 -11.908 -7.205 1.00 0.60 H new ATOM 0 HB1 ALA A 52 16.213 -14.128 -7.605 1.00 0.67 H new ATOM 0 HB2 ALA A 52 17.790 -14.241 -6.786 1.00 0.67 H new ATOM 0 HB3 ALA A 52 16.288 -14.476 -5.861 1.00 0.67 H new ATOM 870 N VAL A 53 14.779 -12.099 -5.020 1.00 0.54 N ATOM 871 CA VAL A 53 13.421 -11.715 -4.702 1.00 0.53 C ATOM 872 C VAL A 53 13.344 -10.212 -4.527 1.00 0.47 C ATOM 873 O VAL A 53 12.468 -9.554 -5.080 1.00 0.48 O ATOM 874 CB VAL A 53 12.933 -12.433 -3.425 1.00 0.53 C ATOM 875 CG1 VAL A 53 11.701 -11.759 -2.837 1.00 0.51 C ATOM 876 CG2 VAL A 53 12.643 -13.894 -3.724 1.00 0.60 C ATOM 0 H VAL A 53 15.312 -12.450 -4.224 1.00 0.54 H new ATOM 0 HA VAL A 53 12.770 -12.013 -5.524 1.00 0.53 H new ATOM 0 HB VAL A 53 13.729 -12.370 -2.683 1.00 0.53 H new ATOM 0 HG11 VAL A 53 11.388 -12.293 -1.940 1.00 0.51 H new ATOM 0 HG12 VAL A 53 11.939 -10.727 -2.581 1.00 0.51 H new ATOM 0 HG13 VAL A 53 10.894 -11.774 -3.569 1.00 0.51 H new ATOM 0 HG21 VAL A 53 12.300 -14.390 -2.816 1.00 0.60 H new ATOM 0 HG22 VAL A 53 11.870 -13.962 -4.489 1.00 0.60 H new ATOM 0 HG23 VAL A 53 13.551 -14.379 -4.081 1.00 0.60 H new ATOM 886 N ILE A 54 14.288 -9.671 -3.778 1.00 0.42 N ATOM 887 CA ILE A 54 14.388 -8.230 -3.599 1.00 0.36 C ATOM 888 C ILE A 54 14.553 -7.528 -4.941 1.00 0.38 C ATOM 889 O ILE A 54 14.031 -6.436 -5.156 1.00 0.38 O ATOM 890 CB ILE A 54 15.569 -7.886 -2.704 1.00 0.35 C ATOM 891 CG1 ILE A 54 15.381 -8.571 -1.362 1.00 0.37 C ATOM 892 CG2 ILE A 54 15.702 -6.375 -2.531 1.00 0.32 C ATOM 893 CD1 ILE A 54 16.455 -8.235 -0.367 1.00 0.38 C ATOM 0 H ILE A 54 14.999 -10.208 -3.282 1.00 0.42 H new ATOM 0 HA ILE A 54 13.466 -7.887 -3.129 1.00 0.36 H new ATOM 0 HB ILE A 54 16.490 -8.240 -3.167 1.00 0.35 H new ATOM 0 HG12 ILE A 54 14.412 -8.288 -0.950 1.00 0.37 H new ATOM 0 HG13 ILE A 54 15.360 -9.650 -1.513 1.00 0.37 H new ATOM 0 HG21 ILE A 54 16.554 -6.156 -1.887 1.00 0.32 H new ATOM 0 HG22 ILE A 54 15.854 -5.909 -3.505 1.00 0.32 H new ATOM 0 HG23 ILE A 54 14.793 -5.979 -2.078 1.00 0.32 H new ATOM 0 HD11 ILE A 54 16.260 -8.758 0.569 1.00 0.38 H new ATOM 0 HD12 ILE A 54 17.424 -8.543 -0.759 1.00 0.38 H new ATOM 0 HD13 ILE A 54 16.462 -7.160 -0.188 1.00 0.38 H new ATOM 905 N ASP A 55 15.287 -8.172 -5.836 1.00 0.43 N ATOM 906 CA ASP A 55 15.463 -7.679 -7.190 1.00 0.47 C ATOM 907 C ASP A 55 14.128 -7.649 -7.881 1.00 0.48 C ATOM 908 O ASP A 55 13.717 -6.628 -8.394 1.00 0.49 O ATOM 909 CB ASP A 55 16.419 -8.582 -7.957 1.00 0.55 C ATOM 910 CG ASP A 55 16.560 -8.216 -9.421 1.00 0.86 C ATOM 911 OD1 ASP A 55 15.786 -8.740 -10.248 1.00 1.44 O ATOM 912 OD2 ASP A 55 17.467 -7.424 -9.754 1.00 1.53 O ATOM 0 H ASP A 55 15.775 -9.047 -5.644 1.00 0.43 H new ATOM 0 HA ASP A 55 15.883 -6.674 -7.156 1.00 0.47 H new ATOM 0 HB2 ASP A 55 17.401 -8.541 -7.485 1.00 0.55 H new ATOM 0 HB3 ASP A 55 16.071 -9.612 -7.881 1.00 0.55 H new ATOM 917 N GLU A 56 13.451 -8.779 -7.851 1.00 0.51 N ATOM 918 CA GLU A 56 12.114 -8.907 -8.401 1.00 0.54 C ATOM 919 C GLU A 56 11.206 -7.764 -7.943 1.00 0.47 C ATOM 920 O GLU A 56 10.518 -7.138 -8.753 1.00 0.49 O ATOM 921 CB GLU A 56 11.535 -10.245 -7.968 1.00 0.58 C ATOM 922 CG GLU A 56 12.031 -11.421 -8.792 1.00 0.69 C ATOM 923 CD GLU A 56 11.755 -11.248 -10.267 1.00 1.06 C ATOM 924 OE1 GLU A 56 10.574 -11.316 -10.666 1.00 1.66 O ATOM 925 OE2 GLU A 56 12.715 -11.042 -11.035 1.00 1.77 O ATOM 0 H GLU A 56 13.814 -9.640 -7.442 1.00 0.51 H new ATOM 0 HA GLU A 56 12.174 -8.857 -9.488 1.00 0.54 H new ATOM 0 HB2 GLU A 56 11.783 -10.416 -6.921 1.00 0.58 H new ATOM 0 HB3 GLU A 56 10.448 -10.199 -8.034 1.00 0.58 H new ATOM 0 HG2 GLU A 56 13.103 -11.543 -8.638 1.00 0.69 H new ATOM 0 HG3 GLU A 56 11.552 -12.335 -8.440 1.00 0.69 H new ATOM 932 N ILE A 57 11.225 -7.484 -6.646 1.00 0.42 N ATOM 933 CA ILE A 57 10.439 -6.402 -6.082 1.00 0.39 C ATOM 934 C ILE A 57 10.921 -5.052 -6.599 1.00 0.36 C ATOM 935 O ILE A 57 10.165 -4.319 -7.226 1.00 0.37 O ATOM 936 CB ILE A 57 10.522 -6.413 -4.542 1.00 0.40 C ATOM 937 CG1 ILE A 57 9.516 -7.396 -3.924 1.00 0.48 C ATOM 938 CG2 ILE A 57 10.301 -5.023 -3.971 1.00 0.59 C ATOM 939 CD1 ILE A 57 9.656 -8.830 -4.382 1.00 1.00 C ATOM 0 H ILE A 57 11.782 -7.998 -5.963 1.00 0.42 H new ATOM 0 HA ILE A 57 9.404 -6.553 -6.389 1.00 0.39 H new ATOM 0 HB ILE A 57 11.527 -6.745 -4.283 1.00 0.40 H new ATOM 0 HG12 ILE A 57 9.621 -7.365 -2.840 1.00 0.48 H new ATOM 0 HG13 ILE A 57 8.508 -7.054 -4.156 1.00 0.48 H new ATOM 0 HG21 ILE A 57 10.365 -5.062 -2.884 1.00 0.59 H new ATOM 0 HG22 ILE A 57 11.064 -4.346 -4.356 1.00 0.59 H new ATOM 0 HG23 ILE A 57 9.315 -4.662 -4.264 1.00 0.59 H new ATOM 0 HD11 ILE A 57 8.902 -9.444 -3.890 1.00 1.00 H new ATOM 0 HD12 ILE A 57 9.518 -8.882 -5.462 1.00 1.00 H new ATOM 0 HD13 ILE A 57 10.649 -9.199 -4.125 1.00 1.00 H new ATOM 951 N PHE A 58 12.190 -4.746 -6.346 1.00 0.35 N ATOM 952 CA PHE A 58 12.737 -3.430 -6.644 1.00 0.36 C ATOM 953 C PHE A 58 12.612 -3.125 -8.125 1.00 0.41 C ATOM 954 O PHE A 58 12.204 -2.035 -8.514 1.00 0.44 O ATOM 955 CB PHE A 58 14.204 -3.349 -6.218 1.00 0.38 C ATOM 956 CG PHE A 58 14.762 -1.954 -6.254 1.00 0.52 C ATOM 957 CD1 PHE A 58 15.155 -1.374 -7.448 1.00 1.52 C ATOM 958 CD2 PHE A 58 14.887 -1.221 -5.089 1.00 1.12 C ATOM 959 CE1 PHE A 58 15.658 -0.092 -7.475 1.00 1.68 C ATOM 960 CE2 PHE A 58 15.390 0.061 -5.112 1.00 1.16 C ATOM 961 CZ PHE A 58 15.777 0.627 -6.307 1.00 0.93 C ATOM 0 H PHE A 58 12.860 -5.396 -5.934 1.00 0.35 H new ATOM 0 HA PHE A 58 12.167 -2.690 -6.083 1.00 0.36 H new ATOM 0 HB2 PHE A 58 14.303 -3.746 -5.208 1.00 0.38 H new ATOM 0 HB3 PHE A 58 14.800 -3.987 -6.871 1.00 0.38 H new ATOM 0 HD1 PHE A 58 15.066 -1.933 -8.368 1.00 1.52 H new ATOM 0 HD2 PHE A 58 14.586 -1.659 -4.149 1.00 1.12 H new ATOM 0 HE1 PHE A 58 15.959 0.350 -8.413 1.00 1.68 H new ATOM 0 HE2 PHE A 58 15.481 0.622 -4.194 1.00 1.16 H new ATOM 0 HZ PHE A 58 16.173 1.632 -6.327 1.00 0.93 H new ATOM 971 N GLN A 59 12.953 -4.108 -8.935 1.00 0.45 N ATOM 972 CA GLN A 59 12.872 -3.994 -10.379 1.00 0.52 C ATOM 973 C GLN A 59 11.420 -3.839 -10.815 1.00 0.52 C ATOM 974 O GLN A 59 11.132 -3.263 -11.863 1.00 0.57 O ATOM 975 CB GLN A 59 13.488 -5.236 -11.031 1.00 0.58 C ATOM 976 CG GLN A 59 14.985 -5.406 -10.782 1.00 0.61 C ATOM 977 CD GLN A 59 15.807 -4.250 -11.318 1.00 1.10 C ATOM 978 OE1 GLN A 59 16.250 -4.267 -12.467 1.00 1.92 O ATOM 979 NE2 GLN A 59 16.022 -3.243 -10.491 1.00 1.63 N ATOM 0 H GLN A 59 13.295 -5.012 -8.609 1.00 0.45 H new ATOM 0 HA GLN A 59 13.427 -3.111 -10.697 1.00 0.52 H new ATOM 0 HB2 GLN A 59 12.968 -6.120 -10.662 1.00 0.58 H new ATOM 0 HB3 GLN A 59 13.314 -5.190 -12.106 1.00 0.58 H new ATOM 0 HG2 GLN A 59 15.161 -5.505 -9.711 1.00 0.61 H new ATOM 0 HG3 GLN A 59 15.323 -6.332 -11.247 1.00 0.61 H new ATOM 0 HE21 GLN A 59 15.637 -3.268 -9.547 1.00 1.63 H new ATOM 0 HE22 GLN A 59 16.573 -2.441 -10.797 1.00 1.63 H new ATOM 988 N GLY A 60 10.506 -4.358 -9.997 1.00 0.48 N ATOM 989 CA GLY A 60 9.091 -4.216 -10.279 1.00 0.49 C ATOM 990 C GLY A 60 8.579 -2.823 -9.964 1.00 0.47 C ATOM 991 O GLY A 60 7.605 -2.364 -10.560 1.00 0.53 O ATOM 0 H GLY A 60 10.723 -4.874 -9.144 1.00 0.48 H new ATOM 0 HA2 GLY A 60 8.908 -4.439 -11.330 1.00 0.49 H new ATOM 0 HA3 GLY A 60 8.531 -4.947 -9.696 1.00 0.49 H new ATOM 995 N LEU A 61 9.239 -2.147 -9.028 1.00 0.42 N ATOM 996 CA LEU A 61 8.853 -0.795 -8.651 1.00 0.44 C ATOM 997 C LEU A 61 9.555 0.188 -9.564 1.00 0.51 C ATOM 998 O LEU A 61 8.940 1.109 -10.105 1.00 0.58 O ATOM 999 CB LEU A 61 9.233 -0.492 -7.193 1.00 0.39 C ATOM 1000 CG LEU A 61 9.306 -1.703 -6.265 1.00 0.34 C ATOM 1001 CD1 LEU A 61 9.897 -1.298 -4.926 1.00 0.31 C ATOM 1002 CD2 LEU A 61 7.929 -2.329 -6.078 1.00 0.35 C ATOM 0 H LEU A 61 10.042 -2.515 -8.518 1.00 0.42 H new ATOM 0 HA LEU A 61 7.771 -0.704 -8.747 1.00 0.44 H new ATOM 0 HB2 LEU A 61 10.201 0.008 -7.185 1.00 0.39 H new ATOM 0 HB3 LEU A 61 8.507 0.212 -6.786 1.00 0.39 H new ATOM 0 HG LEU A 61 9.954 -2.451 -6.722 1.00 0.34 H new ATOM 0 HD11 LEU A 61 9.945 -2.168 -4.271 1.00 0.31 H new ATOM 0 HD12 LEU A 61 10.901 -0.901 -5.076 1.00 0.31 H new ATOM 0 HD13 LEU A 61 9.270 -0.533 -4.468 1.00 0.31 H new ATOM 0 HD21 LEU A 61 8.008 -3.189 -5.413 1.00 0.35 H new ATOM 0 HD22 LEU A 61 7.252 -1.595 -5.642 1.00 0.35 H new ATOM 0 HD23 LEU A 61 7.542 -2.652 -7.044 1.00 0.35 H new ATOM 1014 N ASP A 62 10.851 -0.041 -9.733 1.00 0.50 N ATOM 1015 CA ASP A 62 11.709 0.809 -10.545 1.00 0.59 C ATOM 1016 C ASP A 62 11.419 0.601 -12.026 1.00 0.70 C ATOM 1017 O ASP A 62 12.189 -0.028 -12.752 1.00 0.75 O ATOM 1018 CB ASP A 62 13.177 0.509 -10.237 1.00 0.57 C ATOM 1019 CG ASP A 62 14.136 1.400 -11.002 1.00 0.64 C ATOM 1020 OD1 ASP A 62 13.986 2.636 -10.956 1.00 1.40 O ATOM 1021 OD2 ASP A 62 15.059 0.864 -11.641 1.00 1.11 O ATOM 0 H ASP A 62 11.339 -0.829 -9.306 1.00 0.50 H new ATOM 0 HA ASP A 62 11.504 1.852 -10.303 1.00 0.59 H new ATOM 0 HB2 ASP A 62 13.351 0.631 -9.168 1.00 0.57 H new ATOM 0 HB3 ASP A 62 13.388 -0.533 -10.477 1.00 0.57 H new ATOM 1026 N ALA A 63 10.289 1.132 -12.455 1.00 0.78 N ATOM 1027 CA ALA A 63 9.858 1.034 -13.841 1.00 0.94 C ATOM 1028 C ALA A 63 10.741 1.887 -14.740 1.00 1.12 C ATOM 1029 O ALA A 63 10.815 1.670 -15.949 1.00 1.30 O ATOM 1030 CB ALA A 63 8.403 1.460 -13.966 1.00 0.99 C ATOM 0 H ALA A 63 9.643 1.644 -11.854 1.00 0.78 H new ATOM 0 HA ALA A 63 9.949 -0.004 -14.161 1.00 0.94 H new ATOM 0 HB1 ALA A 63 8.090 1.383 -15.007 1.00 0.99 H new ATOM 0 HB2 ALA A 63 7.780 0.811 -13.351 1.00 0.99 H new ATOM 0 HB3 ALA A 63 8.296 2.491 -13.630 1.00 0.99 H new ATOM 1036 N ASN A 64 11.407 2.860 -14.134 1.00 1.09 N ATOM 1037 CA ASN A 64 12.328 3.731 -14.853 1.00 1.28 C ATOM 1038 C ASN A 64 13.610 2.977 -15.197 1.00 1.21 C ATOM 1039 O ASN A 64 14.364 3.363 -16.093 1.00 1.37 O ATOM 1040 CB ASN A 64 12.643 4.963 -14.001 1.00 1.34 C ATOM 1041 CG ASN A 64 13.568 5.950 -14.686 1.00 2.03 C ATOM 1042 OD1 ASN A 64 13.548 6.109 -15.906 1.00 2.55 O ATOM 1043 ND2 ASN A 64 14.390 6.625 -13.897 1.00 2.80 N ATOM 0 H ASN A 64 11.326 3.067 -13.139 1.00 1.09 H new ATOM 0 HA ASN A 64 11.861 4.054 -15.783 1.00 1.28 H new ATOM 0 HB2 ASN A 64 11.711 5.467 -13.746 1.00 1.34 H new ATOM 0 HB3 ASN A 64 13.097 4.641 -13.064 1.00 1.34 H new ATOM 0 HD21 ASN A 64 15.037 7.305 -14.297 1.00 2.80 H new ATOM 0 HD22 ASN A 64 14.376 6.465 -12.890 1.00 2.80 H new ATOM 1050 N GLN A 65 13.832 1.883 -14.465 1.00 1.03 N ATOM 1051 CA GLN A 65 14.961 0.984 -14.687 1.00 1.05 C ATOM 1052 C GLN A 65 16.294 1.694 -14.490 1.00 1.04 C ATOM 1053 O GLN A 65 17.259 1.440 -15.210 1.00 1.17 O ATOM 1054 CB GLN A 65 14.891 0.348 -16.080 1.00 1.31 C ATOM 1055 CG GLN A 65 13.716 -0.603 -16.253 1.00 1.37 C ATOM 1056 CD GLN A 65 13.734 -1.744 -15.250 1.00 2.03 C ATOM 1057 OE1 GLN A 65 14.795 -2.182 -14.800 1.00 2.72 O ATOM 1058 NE2 GLN A 65 12.558 -2.232 -14.894 1.00 2.57 N ATOM 0 H GLN A 65 13.227 1.596 -13.696 1.00 1.03 H new ATOM 0 HA GLN A 65 14.894 0.192 -13.942 1.00 1.05 H new ATOM 0 HB2 GLN A 65 14.823 1.137 -16.828 1.00 1.31 H new ATOM 0 HB3 GLN A 65 15.818 -0.193 -16.271 1.00 1.31 H new ATOM 0 HG2 GLN A 65 12.785 -0.047 -16.148 1.00 1.37 H new ATOM 0 HG3 GLN A 65 13.730 -1.012 -17.263 1.00 1.37 H new ATOM 0 HE21 GLN A 65 11.703 -1.841 -15.290 1.00 2.57 H new ATOM 0 HE22 GLN A 65 12.506 -2.999 -14.224 1.00 2.57 H new ATOM 1067 N ASP A 66 16.349 2.569 -13.496 1.00 0.93 N ATOM 1068 CA ASP A 66 17.570 3.313 -13.212 1.00 0.95 C ATOM 1069 C ASP A 66 18.078 2.977 -11.812 1.00 0.81 C ATOM 1070 O ASP A 66 19.010 3.602 -11.302 1.00 0.82 O ATOM 1071 CB ASP A 66 17.328 4.819 -13.353 1.00 1.06 C ATOM 1072 CG ASP A 66 18.620 5.607 -13.449 1.00 1.42 C ATOM 1073 OD1 ASP A 66 19.337 5.458 -14.460 1.00 1.89 O ATOM 1074 OD2 ASP A 66 18.924 6.387 -12.523 1.00 2.13 O ATOM 0 H ASP A 66 15.568 2.781 -12.875 1.00 0.93 H new ATOM 0 HA ASP A 66 18.331 3.023 -13.936 1.00 0.95 H new ATOM 0 HB2 ASP A 66 16.725 5.005 -14.242 1.00 1.06 H new ATOM 0 HB3 ASP A 66 16.753 5.173 -12.498 1.00 1.06 H new ATOM 1079 N GLU A 67 17.437 1.979 -11.206 1.00 0.73 N ATOM 1080 CA GLU A 67 17.820 1.459 -9.895 1.00 0.63 C ATOM 1081 C GLU A 67 17.557 2.495 -8.798 1.00 0.58 C ATOM 1082 O GLU A 67 18.396 2.712 -7.923 1.00 0.60 O ATOM 1083 CB GLU A 67 19.297 1.035 -9.885 1.00 0.68 C ATOM 1084 CG GLU A 67 19.636 -0.009 -8.832 1.00 0.97 C ATOM 1085 CD GLU A 67 19.239 -1.406 -9.249 1.00 1.42 C ATOM 1086 OE1 GLU A 67 19.990 -2.037 -10.022 1.00 2.02 O ATOM 1087 OE2 GLU A 67 18.191 -1.896 -8.792 1.00 2.01 O ATOM 0 H GLU A 67 16.631 1.505 -11.614 1.00 0.73 H new ATOM 0 HA GLU A 67 17.207 0.580 -9.693 1.00 0.63 H new ATOM 0 HB2 GLU A 67 19.558 0.642 -10.868 1.00 0.68 H new ATOM 0 HB3 GLU A 67 19.916 1.917 -9.720 1.00 0.68 H new ATOM 0 HG2 GLU A 67 20.707 0.016 -8.633 1.00 0.97 H new ATOM 0 HG3 GLU A 67 19.132 0.245 -7.899 1.00 0.97 H new ATOM 1094 N GLN A 68 16.394 3.144 -8.850 1.00 0.61 N ATOM 1095 CA GLN A 68 16.028 4.121 -7.825 1.00 0.65 C ATOM 1096 C GLN A 68 14.569 3.956 -7.410 1.00 0.66 C ATOM 1097 O GLN A 68 13.658 4.110 -8.224 1.00 0.78 O ATOM 1098 CB GLN A 68 16.243 5.557 -8.315 1.00 0.85 C ATOM 1099 CG GLN A 68 17.627 5.836 -8.872 1.00 1.38 C ATOM 1100 CD GLN A 68 17.865 7.313 -9.114 1.00 1.63 C ATOM 1101 OE1 GLN A 68 17.360 8.166 -8.386 1.00 2.16 O ATOM 1102 NE2 GLN A 68 18.613 7.631 -10.157 1.00 2.07 N ATOM 0 H GLN A 68 15.696 3.013 -9.582 1.00 0.61 H new ATOM 0 HA GLN A 68 16.676 3.937 -6.968 1.00 0.65 H new ATOM 0 HB2 GLN A 68 15.505 5.778 -9.086 1.00 0.85 H new ATOM 0 HB3 GLN A 68 16.054 6.241 -7.488 1.00 0.85 H new ATOM 0 HG2 GLN A 68 18.378 5.459 -8.178 1.00 1.38 H new ATOM 0 HG3 GLN A 68 17.756 5.292 -9.808 1.00 1.38 H new ATOM 0 HE21 GLN A 68 19.016 6.896 -10.739 1.00 2.07 H new ATOM 0 HE22 GLN A 68 18.787 8.611 -10.380 1.00 2.07 H new ATOM 1111 N VAL A 69 14.353 3.639 -6.144 1.00 0.59 N ATOM 1112 CA VAL A 69 13.010 3.539 -5.597 1.00 0.64 C ATOM 1113 C VAL A 69 12.552 4.878 -4.998 1.00 0.64 C ATOM 1114 O VAL A 69 13.067 5.330 -3.982 1.00 0.68 O ATOM 1115 CB VAL A 69 12.929 2.413 -4.530 1.00 0.72 C ATOM 1116 CG1 VAL A 69 13.966 2.611 -3.433 1.00 1.81 C ATOM 1117 CG2 VAL A 69 11.536 2.319 -3.931 1.00 1.22 C ATOM 0 H VAL A 69 15.096 3.445 -5.472 1.00 0.59 H new ATOM 0 HA VAL A 69 12.338 3.287 -6.417 1.00 0.64 H new ATOM 0 HB VAL A 69 13.147 1.473 -5.037 1.00 0.72 H new ATOM 0 HG11 VAL A 69 13.882 1.806 -2.703 1.00 1.81 H new ATOM 0 HG12 VAL A 69 14.964 2.601 -3.870 1.00 1.81 H new ATOM 0 HG13 VAL A 69 13.795 3.568 -2.939 1.00 1.81 H new ATOM 0 HG21 VAL A 69 11.512 1.522 -3.188 1.00 1.22 H new ATOM 0 HG22 VAL A 69 11.280 3.266 -3.456 1.00 1.22 H new ATOM 0 HG23 VAL A 69 10.815 2.102 -4.719 1.00 1.22 H new ATOM 1127 N ASP A 70 11.611 5.541 -5.660 1.00 0.67 N ATOM 1128 CA ASP A 70 10.995 6.737 -5.087 1.00 0.73 C ATOM 1129 C ASP A 70 9.900 6.335 -4.116 1.00 0.64 C ATOM 1130 O ASP A 70 9.627 5.146 -3.953 1.00 0.56 O ATOM 1131 CB ASP A 70 10.386 7.640 -6.161 1.00 0.84 C ATOM 1132 CG ASP A 70 11.394 8.535 -6.854 1.00 1.38 C ATOM 1133 OD1 ASP A 70 11.750 9.586 -6.287 1.00 2.02 O ATOM 1134 OD2 ASP A 70 11.809 8.210 -7.984 1.00 1.99 O ATOM 0 H ASP A 70 11.260 5.278 -6.581 1.00 0.67 H new ATOM 0 HA ASP A 70 11.782 7.292 -4.575 1.00 0.73 H new ATOM 0 HB2 ASP A 70 9.893 7.018 -6.908 1.00 0.84 H new ATOM 0 HB3 ASP A 70 9.616 8.262 -5.705 1.00 0.84 H new ATOM 1139 N PHE A 71 9.250 7.309 -3.493 1.00 0.70 N ATOM 1140 CA PHE A 71 8.121 7.011 -2.619 1.00 0.66 C ATOM 1141 C PHE A 71 7.015 6.315 -3.402 1.00 0.55 C ATOM 1142 O PHE A 71 6.299 5.482 -2.864 1.00 0.48 O ATOM 1143 CB PHE A 71 7.571 8.276 -1.958 1.00 0.82 C ATOM 1144 CG PHE A 71 8.445 8.819 -0.861 1.00 1.12 C ATOM 1145 CD1 PHE A 71 8.413 8.259 0.406 1.00 1.50 C ATOM 1146 CD2 PHE A 71 9.298 9.885 -1.095 1.00 1.92 C ATOM 1147 CE1 PHE A 71 9.212 8.753 1.418 1.00 1.76 C ATOM 1148 CE2 PHE A 71 10.100 10.384 -0.088 1.00 2.17 C ATOM 1149 CZ PHE A 71 10.059 9.817 1.171 1.00 1.76 C ATOM 0 H PHE A 71 9.480 8.299 -3.574 1.00 0.70 H new ATOM 0 HA PHE A 71 8.481 6.348 -1.832 1.00 0.66 H new ATOM 0 HB2 PHE A 71 7.441 9.045 -2.720 1.00 0.82 H new ATOM 0 HB3 PHE A 71 6.583 8.061 -1.550 1.00 0.82 H new ATOM 0 HD1 PHE A 71 7.755 7.426 0.604 1.00 1.50 H new ATOM 0 HD2 PHE A 71 9.336 10.331 -2.078 1.00 1.92 H new ATOM 0 HE1 PHE A 71 9.175 8.308 2.402 1.00 1.76 H new ATOM 0 HE2 PHE A 71 10.759 11.217 -0.284 1.00 2.17 H new ATOM 0 HZ PHE A 71 10.687 10.204 1.960 1.00 1.76 H new ATOM 1159 N GLN A 72 6.887 6.663 -4.676 1.00 0.59 N ATOM 1160 CA GLN A 72 5.901 6.033 -5.546 1.00 0.56 C ATOM 1161 C GLN A 72 6.281 4.584 -5.848 1.00 0.49 C ATOM 1162 O GLN A 72 5.436 3.689 -5.830 1.00 0.47 O ATOM 1163 CB GLN A 72 5.760 6.819 -6.846 1.00 0.69 C ATOM 1164 CG GLN A 72 4.723 6.237 -7.784 1.00 0.74 C ATOM 1165 CD GLN A 72 4.642 6.980 -9.101 1.00 1.08 C ATOM 1166 OE1 GLN A 72 5.344 6.652 -10.056 1.00 1.66 O ATOM 1167 NE2 GLN A 72 3.783 7.985 -9.165 1.00 1.66 N ATOM 0 H GLN A 72 7.454 7.379 -5.131 1.00 0.59 H new ATOM 0 HA GLN A 72 4.944 6.034 -5.025 1.00 0.56 H new ATOM 0 HB2 GLN A 72 5.492 7.850 -6.613 1.00 0.69 H new ATOM 0 HB3 GLN A 72 6.725 6.847 -7.353 1.00 0.69 H new ATOM 0 HG2 GLN A 72 4.960 5.191 -7.976 1.00 0.74 H new ATOM 0 HG3 GLN A 72 3.747 6.259 -7.299 1.00 0.74 H new ATOM 0 HE21 GLN A 72 3.218 8.226 -8.350 1.00 1.66 H new ATOM 0 HE22 GLN A 72 3.686 8.518 -10.029 1.00 1.66 H new ATOM 1176 N GLU A 73 7.555 4.355 -6.127 1.00 0.49 N ATOM 1177 CA GLU A 73 8.056 3.005 -6.334 1.00 0.46 C ATOM 1178 C GLU A 73 7.901 2.203 -5.051 1.00 0.36 C ATOM 1179 O GLU A 73 7.495 1.042 -5.069 1.00 0.32 O ATOM 1180 CB GLU A 73 9.527 3.029 -6.763 1.00 0.56 C ATOM 1181 CG GLU A 73 9.754 3.329 -8.236 1.00 0.78 C ATOM 1182 CD GLU A 73 9.078 4.594 -8.711 1.00 1.15 C ATOM 1183 OE1 GLU A 73 9.463 5.683 -8.251 1.00 1.99 O ATOM 1184 OE2 GLU A 73 8.180 4.505 -9.570 1.00 1.82 O ATOM 0 H GLU A 73 8.261 5.086 -6.215 1.00 0.49 H new ATOM 0 HA GLU A 73 7.477 2.536 -7.130 1.00 0.46 H new ATOM 0 HB2 GLU A 73 10.053 3.776 -6.169 1.00 0.56 H new ATOM 0 HB3 GLU A 73 9.975 2.063 -6.530 1.00 0.56 H new ATOM 0 HG2 GLU A 73 10.825 3.409 -8.420 1.00 0.78 H new ATOM 0 HG3 GLU A 73 9.391 2.489 -8.829 1.00 0.78 H new ATOM 1191 N PHE A 74 8.202 2.847 -3.934 1.00 0.37 N ATOM 1192 CA PHE A 74 8.055 2.231 -2.629 1.00 0.34 C ATOM 1193 C PHE A 74 6.582 1.961 -2.338 1.00 0.32 C ATOM 1194 O PHE A 74 6.234 1.015 -1.635 1.00 0.33 O ATOM 1195 CB PHE A 74 8.674 3.133 -1.554 1.00 0.43 C ATOM 1196 CG PHE A 74 8.613 2.566 -0.163 1.00 0.78 C ATOM 1197 CD1 PHE A 74 9.401 1.482 0.192 1.00 1.31 C ATOM 1198 CD2 PHE A 74 7.778 3.122 0.793 1.00 1.44 C ATOM 1199 CE1 PHE A 74 9.356 0.963 1.470 1.00 1.77 C ATOM 1200 CE2 PHE A 74 7.728 2.607 2.073 1.00 1.92 C ATOM 1201 CZ PHE A 74 8.518 1.525 2.413 1.00 1.89 C ATOM 0 H PHE A 74 8.552 3.805 -3.908 1.00 0.37 H new ATOM 0 HA PHE A 74 8.581 1.276 -2.620 1.00 0.34 H new ATOM 0 HB2 PHE A 74 9.716 3.323 -1.811 1.00 0.43 H new ATOM 0 HB3 PHE A 74 8.162 4.095 -1.565 1.00 0.43 H new ATOM 0 HD1 PHE A 74 10.058 1.038 -0.541 1.00 1.31 H new ATOM 0 HD2 PHE A 74 7.159 3.968 0.534 1.00 1.44 H new ATOM 0 HE1 PHE A 74 9.976 0.118 1.732 1.00 1.77 H new ATOM 0 HE2 PHE A 74 7.072 3.049 2.808 1.00 1.92 H new ATOM 0 HZ PHE A 74 8.480 1.120 3.414 1.00 1.89 H new ATOM 1211 N ILE A 75 5.728 2.786 -2.922 1.00 0.33 N ATOM 1212 CA ILE A 75 4.290 2.624 -2.826 1.00 0.35 C ATOM 1213 C ILE A 75 3.884 1.336 -3.519 1.00 0.34 C ATOM 1214 O ILE A 75 3.026 0.589 -3.042 1.00 0.36 O ATOM 1215 CB ILE A 75 3.584 3.841 -3.467 1.00 0.41 C ATOM 1216 CG1 ILE A 75 3.233 4.864 -2.404 1.00 0.49 C ATOM 1217 CG2 ILE A 75 2.352 3.438 -4.254 1.00 0.45 C ATOM 1218 CD1 ILE A 75 2.934 6.218 -2.979 1.00 0.67 C ATOM 0 H ILE A 75 6.017 3.591 -3.479 1.00 0.33 H new ATOM 0 HA ILE A 75 3.991 2.568 -1.779 1.00 0.35 H new ATOM 0 HB ILE A 75 4.281 4.290 -4.175 1.00 0.41 H new ATOM 0 HG12 ILE A 75 2.368 4.514 -1.840 1.00 0.49 H new ATOM 0 HG13 ILE A 75 4.060 4.948 -1.699 1.00 0.49 H new ATOM 0 HG21 ILE A 75 1.890 4.326 -4.686 1.00 0.45 H new ATOM 0 HG22 ILE A 75 2.638 2.753 -5.052 1.00 0.45 H new ATOM 0 HG23 ILE A 75 1.642 2.945 -3.590 1.00 0.45 H new ATOM 0 HD11 ILE A 75 2.689 6.910 -2.173 1.00 0.67 H new ATOM 0 HD12 ILE A 75 3.807 6.585 -3.519 1.00 0.67 H new ATOM 0 HD13 ILE A 75 2.088 6.144 -3.663 1.00 0.67 H new ATOM 1230 N SER A 76 4.540 1.075 -4.635 1.00 0.34 N ATOM 1231 CA SER A 76 4.326 -0.144 -5.375 1.00 0.36 C ATOM 1232 C SER A 76 4.759 -1.338 -4.533 1.00 0.31 C ATOM 1233 O SER A 76 4.079 -2.352 -4.494 1.00 0.33 O ATOM 1234 CB SER A 76 5.099 -0.087 -6.691 1.00 0.45 C ATOM 1235 OG SER A 76 4.735 1.064 -7.436 1.00 0.74 O ATOM 0 H SER A 76 5.231 1.701 -5.048 1.00 0.34 H new ATOM 0 HA SER A 76 3.267 -0.256 -5.605 1.00 0.36 H new ATOM 0 HB2 SER A 76 6.170 -0.072 -6.489 1.00 0.45 H new ATOM 0 HB3 SER A 76 4.897 -0.984 -7.276 1.00 0.45 H new ATOM 0 HG SER A 76 5.098 1.864 -7.001 1.00 0.74 H new ATOM 1241 N LEU A 77 5.876 -1.190 -3.827 1.00 0.28 N ATOM 1242 CA LEU A 77 6.377 -2.245 -2.949 1.00 0.26 C ATOM 1243 C LEU A 77 5.324 -2.621 -1.919 1.00 0.23 C ATOM 1244 O LEU A 77 5.064 -3.799 -1.696 1.00 0.23 O ATOM 1245 CB LEU A 77 7.681 -1.785 -2.266 1.00 0.30 C ATOM 1246 CG LEU A 77 8.266 -2.692 -1.161 1.00 0.38 C ATOM 1247 CD1 LEU A 77 7.629 -2.393 0.191 1.00 1.11 C ATOM 1248 CD2 LEU A 77 8.103 -4.165 -1.511 1.00 1.15 C ATOM 0 H LEU A 77 6.453 -0.349 -3.845 1.00 0.28 H new ATOM 0 HA LEU A 77 6.595 -3.131 -3.545 1.00 0.26 H new ATOM 0 HB2 LEU A 77 8.440 -1.664 -3.038 1.00 0.30 H new ATOM 0 HB3 LEU A 77 7.505 -0.800 -1.834 1.00 0.30 H new ATOM 0 HG LEU A 77 9.332 -2.475 -1.092 1.00 0.38 H new ATOM 0 HD11 LEU A 77 8.060 -3.047 0.949 1.00 1.11 H new ATOM 0 HD12 LEU A 77 7.816 -1.353 0.459 1.00 1.11 H new ATOM 0 HD13 LEU A 77 6.554 -2.565 0.133 1.00 1.11 H new ATOM 0 HD21 LEU A 77 8.525 -4.777 -0.714 1.00 1.15 H new ATOM 0 HD22 LEU A 77 7.044 -4.397 -1.625 1.00 1.15 H new ATOM 0 HD23 LEU A 77 8.624 -4.377 -2.445 1.00 1.15 H new ATOM 1260 N VAL A 78 4.711 -1.622 -1.310 1.00 0.24 N ATOM 1261 CA VAL A 78 3.703 -1.867 -0.293 1.00 0.25 C ATOM 1262 C VAL A 78 2.524 -2.604 -0.900 1.00 0.27 C ATOM 1263 O VAL A 78 1.906 -3.430 -0.255 1.00 0.28 O ATOM 1264 CB VAL A 78 3.210 -0.564 0.351 1.00 0.29 C ATOM 1265 CG1 VAL A 78 2.302 -0.865 1.532 1.00 0.33 C ATOM 1266 CG2 VAL A 78 4.392 0.291 0.775 1.00 0.31 C ATOM 0 H VAL A 78 4.892 -0.636 -1.501 1.00 0.24 H new ATOM 0 HA VAL A 78 4.165 -2.475 0.485 1.00 0.25 H new ATOM 0 HB VAL A 78 2.631 -0.005 -0.384 1.00 0.29 H new ATOM 0 HG11 VAL A 78 1.962 0.070 1.977 1.00 0.33 H new ATOM 0 HG12 VAL A 78 1.441 -1.440 1.192 1.00 0.33 H new ATOM 0 HG13 VAL A 78 2.852 -1.442 2.276 1.00 0.33 H new ATOM 0 HG21 VAL A 78 4.030 1.213 1.230 1.00 0.31 H new ATOM 0 HG22 VAL A 78 4.997 -0.257 1.497 1.00 0.31 H new ATOM 0 HG23 VAL A 78 4.999 0.532 -0.098 1.00 0.31 H new ATOM 1276 N ALA A 79 2.242 -2.310 -2.157 1.00 0.31 N ATOM 1277 CA ALA A 79 1.196 -2.999 -2.889 1.00 0.35 C ATOM 1278 C ALA A 79 1.530 -4.485 -3.012 1.00 0.33 C ATOM 1279 O ALA A 79 0.699 -5.353 -2.730 1.00 0.33 O ATOM 1280 CB ALA A 79 1.039 -2.366 -4.261 1.00 0.43 C ATOM 0 H ALA A 79 2.728 -1.592 -2.695 1.00 0.31 H new ATOM 0 HA ALA A 79 0.254 -2.908 -2.349 1.00 0.35 H new ATOM 0 HB1 ALA A 79 0.253 -2.883 -4.812 1.00 0.43 H new ATOM 0 HB2 ALA A 79 0.772 -1.315 -4.149 1.00 0.43 H new ATOM 0 HB3 ALA A 79 1.978 -2.445 -4.808 1.00 0.43 H new ATOM 1286 N ILE A 80 2.765 -4.759 -3.420 1.00 0.32 N ATOM 1287 CA ILE A 80 3.282 -6.123 -3.509 1.00 0.32 C ATOM 1288 C ILE A 80 3.224 -6.804 -2.142 1.00 0.28 C ATOM 1289 O ILE A 80 2.813 -7.960 -2.016 1.00 0.31 O ATOM 1290 CB ILE A 80 4.754 -6.131 -4.019 1.00 0.34 C ATOM 1291 CG1 ILE A 80 4.832 -5.980 -5.545 1.00 0.38 C ATOM 1292 CG2 ILE A 80 5.482 -7.398 -3.589 1.00 0.36 C ATOM 1293 CD1 ILE A 80 4.232 -4.702 -6.086 1.00 0.40 C ATOM 0 H ILE A 80 3.436 -4.043 -3.698 1.00 0.32 H new ATOM 0 HA ILE A 80 2.658 -6.668 -4.218 1.00 0.32 H new ATOM 0 HB ILE A 80 5.246 -5.271 -3.565 1.00 0.34 H new ATOM 0 HG12 ILE A 80 5.878 -6.031 -5.848 1.00 0.38 H new ATOM 0 HG13 ILE A 80 4.325 -6.827 -6.006 1.00 0.38 H new ATOM 0 HG21 ILE A 80 6.506 -7.373 -3.961 1.00 0.36 H new ATOM 0 HG22 ILE A 80 5.492 -7.460 -2.501 1.00 0.36 H new ATOM 0 HG23 ILE A 80 4.969 -8.269 -3.998 1.00 0.36 H new ATOM 0 HD11 ILE A 80 4.333 -4.683 -7.171 1.00 0.40 H new ATOM 0 HD12 ILE A 80 3.176 -4.654 -5.819 1.00 0.40 H new ATOM 0 HD13 ILE A 80 4.754 -3.846 -5.658 1.00 0.40 H new ATOM 1305 N ALA A 81 3.626 -6.062 -1.127 1.00 0.23 N ATOM 1306 CA ALA A 81 3.737 -6.582 0.221 1.00 0.23 C ATOM 1307 C ALA A 81 2.369 -6.778 0.871 1.00 0.23 C ATOM 1308 O ALA A 81 2.195 -7.662 1.707 1.00 0.28 O ATOM 1309 CB ALA A 81 4.614 -5.656 1.040 1.00 0.24 C ATOM 0 H ALA A 81 3.885 -5.079 -1.215 1.00 0.23 H new ATOM 0 HA ALA A 81 4.199 -7.569 0.179 1.00 0.23 H new ATOM 0 HB1 ALA A 81 4.702 -6.042 2.056 1.00 0.24 H new ATOM 0 HB2 ALA A 81 5.604 -5.598 0.587 1.00 0.24 H new ATOM 0 HB3 ALA A 81 4.168 -4.662 1.067 1.00 0.24 H new ATOM 1315 N LEU A 82 1.402 -5.953 0.486 1.00 0.22 N ATOM 1316 CA LEU A 82 0.026 -6.123 0.930 1.00 0.23 C ATOM 1317 C LEU A 82 -0.525 -7.427 0.395 1.00 0.24 C ATOM 1318 O LEU A 82 -1.204 -8.174 1.108 1.00 0.29 O ATOM 1319 CB LEU A 82 -0.855 -4.970 0.454 1.00 0.25 C ATOM 1320 CG LEU A 82 -0.614 -3.626 1.131 1.00 0.26 C ATOM 1321 CD1 LEU A 82 -1.593 -2.605 0.603 1.00 0.33 C ATOM 1322 CD2 LEU A 82 -0.734 -3.750 2.640 1.00 0.31 C ATOM 0 H LEU A 82 1.548 -5.157 -0.135 1.00 0.22 H new ATOM 0 HA LEU A 82 0.021 -6.134 2.020 1.00 0.23 H new ATOM 0 HB2 LEU A 82 -0.709 -4.846 -0.619 1.00 0.25 H new ATOM 0 HB3 LEU A 82 -1.898 -5.249 0.604 1.00 0.25 H new ATOM 0 HG LEU A 82 0.400 -3.297 0.902 1.00 0.26 H new ATOM 0 HD11 LEU A 82 -1.417 -1.646 1.090 1.00 0.33 H new ATOM 0 HD12 LEU A 82 -1.459 -2.495 -0.473 1.00 0.33 H new ATOM 0 HD13 LEU A 82 -2.611 -2.936 0.810 1.00 0.33 H new ATOM 0 HD21 LEU A 82 -0.558 -2.778 3.100 1.00 0.31 H new ATOM 0 HD22 LEU A 82 -1.734 -4.098 2.898 1.00 0.31 H new ATOM 0 HD23 LEU A 82 0.004 -4.464 3.006 1.00 0.31 H new ATOM 1334 N LYS A 83 -0.231 -7.698 -0.871 1.00 0.26 N ATOM 1335 CA LYS A 83 -0.578 -8.979 -1.452 1.00 0.33 C ATOM 1336 C LYS A 83 0.130 -10.086 -0.699 1.00 0.31 C ATOM 1337 O LYS A 83 -0.474 -11.073 -0.326 1.00 0.44 O ATOM 1338 CB LYS A 83 -0.206 -9.061 -2.924 1.00 0.42 C ATOM 1339 CG LYS A 83 -1.413 -9.132 -3.834 1.00 0.66 C ATOM 1340 CD LYS A 83 -2.594 -9.787 -3.132 1.00 1.04 C ATOM 1341 CE LYS A 83 -3.433 -10.561 -4.107 1.00 0.80 C ATOM 1342 NZ LYS A 83 -4.822 -10.785 -3.627 1.00 1.67 N ATOM 0 H LYS A 83 0.241 -7.053 -1.505 1.00 0.26 H new ATOM 0 HA LYS A 83 -1.659 -9.092 -1.373 1.00 0.33 H new ATOM 0 HB2 LYS A 83 0.393 -8.190 -3.191 1.00 0.42 H new ATOM 0 HB3 LYS A 83 0.418 -9.940 -3.087 1.00 0.42 H new ATOM 0 HG2 LYS A 83 -1.689 -8.128 -4.155 1.00 0.66 H new ATOM 0 HG3 LYS A 83 -1.162 -9.696 -4.732 1.00 0.66 H new ATOM 0 HD2 LYS A 83 -2.233 -10.453 -2.348 1.00 1.04 H new ATOM 0 HD3 LYS A 83 -3.203 -9.024 -2.647 1.00 1.04 H new ATOM 0 HE2 LYS A 83 -3.464 -10.026 -5.056 1.00 0.80 H new ATOM 0 HE3 LYS A 83 -2.961 -11.524 -4.300 1.00 0.80 H new ATOM 0 HZ1 LYS A 83 -5.290 -11.487 -4.234 1.00 1.67 H new ATOM 0 HZ2 LYS A 83 -4.799 -11.135 -2.648 1.00 1.67 H new ATOM 0 HZ3 LYS A 83 -5.350 -9.890 -3.662 1.00 1.67 H new ATOM 1356 N ALA A 84 1.413 -9.894 -0.460 1.00 0.31 N ATOM 1357 CA ALA A 84 2.217 -10.867 0.266 1.00 0.35 C ATOM 1358 C ALA A 84 1.661 -11.137 1.665 1.00 0.33 C ATOM 1359 O ALA A 84 1.940 -12.178 2.253 1.00 0.40 O ATOM 1360 CB ALA A 84 3.655 -10.389 0.352 1.00 0.48 C ATOM 0 H ALA A 84 1.928 -9.066 -0.760 1.00 0.31 H new ATOM 0 HA ALA A 84 2.180 -11.807 -0.285 1.00 0.35 H new ATOM 0 HB1 ALA A 84 4.250 -11.122 0.896 1.00 0.48 H new ATOM 0 HB2 ALA A 84 4.059 -10.268 -0.653 1.00 0.48 H new ATOM 0 HB3 ALA A 84 3.690 -9.433 0.875 1.00 0.48 H new ATOM 1366 N ALA A 85 0.884 -10.196 2.192 1.00 0.30 N ATOM 1367 CA ALA A 85 0.327 -10.315 3.535 1.00 0.38 C ATOM 1368 C ALA A 85 -0.925 -11.196 3.569 1.00 0.44 C ATOM 1369 O ALA A 85 -0.958 -12.204 4.270 1.00 0.57 O ATOM 1370 CB ALA A 85 0.019 -8.937 4.101 1.00 0.43 C ATOM 0 H ALA A 85 0.625 -9.338 1.706 1.00 0.30 H new ATOM 0 HA ALA A 85 1.080 -10.801 4.156 1.00 0.38 H new ATOM 0 HB1 ALA A 85 -0.396 -9.040 5.104 1.00 0.43 H new ATOM 0 HB2 ALA A 85 0.936 -8.349 4.146 1.00 0.43 H new ATOM 0 HB3 ALA A 85 -0.704 -8.433 3.459 1.00 0.43 H new ATOM 1376 N HIS A 86 -1.964 -10.815 2.829 1.00 0.44 N ATOM 1377 CA HIS A 86 -3.222 -11.573 2.848 1.00 0.59 C ATOM 1378 C HIS A 86 -3.191 -12.725 1.841 1.00 0.63 C ATOM 1379 O HIS A 86 -3.720 -13.804 2.094 1.00 0.72 O ATOM 1380 CB HIS A 86 -4.422 -10.645 2.607 1.00 0.69 C ATOM 1381 CG HIS A 86 -5.736 -11.364 2.501 1.00 1.28 C ATOM 1382 ND1 HIS A 86 -6.467 -11.753 3.600 1.00 2.06 N ATOM 1383 CD2 HIS A 86 -6.442 -11.776 1.421 1.00 2.11 C ATOM 1384 CE1 HIS A 86 -7.563 -12.370 3.203 1.00 2.66 C ATOM 1385 NE2 HIS A 86 -7.574 -12.401 1.883 1.00 2.68 N ATOM 0 H HIS A 86 -1.966 -10.000 2.216 1.00 0.44 H new ATOM 0 HA HIS A 86 -3.336 -12.013 3.839 1.00 0.59 H new ATOM 0 HB2 HIS A 86 -4.479 -9.922 3.421 1.00 0.69 H new ATOM 0 HB3 HIS A 86 -4.253 -10.080 1.690 1.00 0.69 H new ATOM 0 HD2 HIS A 86 -6.165 -11.638 0.386 1.00 2.11 H new ATOM 0 HE1 HIS A 86 -8.324 -12.781 3.849 1.00 2.66 H new ATOM 0 HE2 HIS A 86 -8.302 -12.819 1.303 1.00 2.68 H new ATOM 1394 N TYR A 87 -2.556 -12.475 0.715 1.00 0.58 N ATOM 1395 CA TYR A 87 -2.311 -13.486 -0.320 1.00 0.65 C ATOM 1396 C TYR A 87 -1.020 -14.241 0.016 1.00 0.62 C ATOM 1397 O TYR A 87 -0.313 -14.699 -0.876 1.00 0.66 O ATOM 1398 CB TYR A 87 -2.243 -12.850 -1.721 1.00 0.69 C ATOM 1399 CG TYR A 87 -2.241 -13.833 -2.874 1.00 0.87 C ATOM 1400 CD1 TYR A 87 -3.312 -14.690 -3.090 1.00 1.44 C ATOM 1401 CD2 TYR A 87 -1.166 -13.891 -3.751 1.00 1.62 C ATOM 1402 CE1 TYR A 87 -3.309 -15.581 -4.147 1.00 1.55 C ATOM 1403 CE2 TYR A 87 -1.156 -14.777 -4.811 1.00 1.80 C ATOM 1404 CZ TYR A 87 -2.229 -15.619 -5.004 1.00 1.29 C ATOM 1405 OH TYR A 87 -2.220 -16.505 -6.059 1.00 1.52 O ATOM 0 H TYR A 87 -2.186 -11.554 0.479 1.00 0.58 H new ATOM 0 HA TYR A 87 -3.143 -14.190 -0.337 1.00 0.65 H new ATOM 0 HB2 TYR A 87 -3.092 -12.177 -1.839 1.00 0.69 H new ATOM 0 HB3 TYR A 87 -1.342 -12.240 -1.783 1.00 0.69 H new ATOM 0 HD1 TYR A 87 -4.160 -14.660 -2.422 1.00 1.44 H new ATOM 0 HD2 TYR A 87 -0.323 -13.232 -3.602 1.00 1.62 H new ATOM 0 HE1 TYR A 87 -4.148 -16.244 -4.301 1.00 1.55 H new ATOM 0 HE2 TYR A 87 -0.312 -14.809 -5.484 1.00 1.80 H new ATOM 0 HH TYR A 87 -1.387 -16.402 -6.565 1.00 1.52 H new ATOM 1415 N HIS A 88 -0.679 -14.213 1.317 1.00 0.59 N ATOM 1416 CA HIS A 88 0.530 -14.823 1.931 1.00 0.62 C ATOM 1417 C HIS A 88 0.830 -16.278 1.492 1.00 0.69 C ATOM 1418 O HIS A 88 1.581 -16.989 2.158 1.00 0.75 O ATOM 1419 CB HIS A 88 0.345 -14.790 3.457 1.00 0.65 C ATOM 1420 CG HIS A 88 1.606 -14.913 4.260 1.00 1.54 C ATOM 1421 ND1 HIS A 88 1.962 -16.063 4.937 1.00 2.37 N ATOM 1422 CD2 HIS A 88 2.576 -14.009 4.528 1.00 2.40 C ATOM 1423 CE1 HIS A 88 3.093 -15.854 5.585 1.00 3.25 C ATOM 1424 NE2 HIS A 88 3.485 -14.618 5.352 1.00 3.26 N ATOM 0 H HIS A 88 -1.263 -13.743 2.009 1.00 0.59 H new ATOM 0 HA HIS A 88 1.384 -14.237 1.589 1.00 0.62 H new ATOM 0 HB2 HIS A 88 -0.148 -13.856 3.726 1.00 0.65 H new ATOM 0 HB3 HIS A 88 -0.328 -15.599 3.742 1.00 0.65 H new ATOM 0 HD2 HIS A 88 2.625 -12.995 4.160 1.00 2.40 H new ATOM 0 HE1 HIS A 88 3.610 -16.574 6.202 1.00 3.25 H new ATOM 0 HE2 HIS A 88 4.329 -14.184 5.725 1.00 3.26 H new ATOM 1433 N THR A 89 0.275 -16.711 0.381 1.00 0.73 N ATOM 1434 CA THR A 89 0.518 -18.038 -0.146 1.00 0.81 C ATOM 1435 C THR A 89 1.660 -17.962 -1.154 1.00 0.72 C ATOM 1436 O THR A 89 1.815 -18.823 -2.019 1.00 1.05 O ATOM 1437 CB THR A 89 -0.758 -18.587 -0.816 1.00 0.97 C ATOM 1438 OG1 THR A 89 -0.571 -19.944 -1.241 1.00 1.26 O ATOM 1439 CG2 THR A 89 -1.168 -17.724 -2.005 1.00 0.89 C ATOM 0 H THR A 89 -0.361 -16.150 -0.186 1.00 0.73 H new ATOM 0 HA THR A 89 0.791 -18.714 0.664 1.00 0.81 H new ATOM 0 HB THR A 89 -1.556 -18.559 -0.074 1.00 0.97 H new ATOM 0 HG1 THR A 89 0.329 -20.049 -1.615 1.00 1.26 H new ATOM 0 HG21 THR A 89 -2.070 -18.134 -2.458 1.00 0.89 H new ATOM 0 HG22 THR A 89 -1.362 -16.706 -1.666 1.00 0.89 H new ATOM 0 HG23 THR A 89 -0.364 -17.714 -2.741 1.00 0.89 H new ATOM 1447 N HIS A 90 2.441 -16.894 -1.009 1.00 0.65 N ATOM 1448 CA HIS A 90 3.527 -16.546 -1.910 1.00 0.64 C ATOM 1449 C HIS A 90 2.952 -15.871 -3.128 1.00 0.93 C ATOM 1450 O HIS A 90 2.594 -16.518 -4.111 1.00 1.77 O ATOM 1451 CB HIS A 90 4.416 -17.730 -2.325 1.00 0.91 C ATOM 1452 CG HIS A 90 5.241 -18.313 -1.215 1.00 1.72 C ATOM 1453 ND1 HIS A 90 6.426 -18.983 -1.432 1.00 2.44 N ATOM 1454 CD2 HIS A 90 5.049 -18.326 0.127 1.00 2.68 C ATOM 1455 CE1 HIS A 90 6.922 -19.380 -0.276 1.00 3.33 C ATOM 1456 NE2 HIS A 90 6.108 -18.995 0.686 1.00 3.47 N ATOM 0 H HIS A 90 2.330 -16.232 -0.241 1.00 0.65 H new ATOM 0 HA HIS A 90 4.186 -15.874 -1.361 1.00 0.64 H new ATOM 0 HB2 HIS A 90 3.783 -18.514 -2.740 1.00 0.91 H new ATOM 0 HB3 HIS A 90 5.083 -17.404 -3.123 1.00 0.91 H new ATOM 0 HD2 HIS A 90 4.216 -17.890 0.658 1.00 2.68 H new ATOM 0 HE1 HIS A 90 7.842 -19.929 -0.141 1.00 3.33 H new ATOM 0 HE2 HIS A 90 6.243 -19.166 1.682 1.00 3.47 H new ATOM 1578 N GLU B 5 5.532 -6.493 9.275 1.00 1.20 N ATOM 1579 CA GLU B 5 4.289 -6.639 8.490 1.00 0.94 C ATOM 1580 C GLU B 5 3.037 -6.188 9.252 1.00 0.69 C ATOM 1581 O GLU B 5 1.917 -6.530 8.873 1.00 0.69 O ATOM 1582 CB GLU B 5 4.108 -8.070 7.958 1.00 1.39 C ATOM 1583 CG GLU B 5 4.043 -9.153 9.022 1.00 1.80 C ATOM 1584 CD GLU B 5 3.864 -10.537 8.441 1.00 2.48 C ATOM 1585 OE1 GLU B 5 4.691 -10.940 7.599 1.00 3.00 O ATOM 1586 OE2 GLU B 5 2.891 -11.222 8.826 1.00 3.10 O ATOM 0 HA GLU B 5 4.405 -5.968 7.639 1.00 0.94 H new ATOM 0 HB2 GLU B 5 3.193 -8.108 7.368 1.00 1.39 H new ATOM 0 HB3 GLU B 5 4.933 -8.296 7.282 1.00 1.39 H new ATOM 0 HG2 GLU B 5 4.957 -9.129 9.615 1.00 1.80 H new ATOM 0 HG3 GLU B 5 3.217 -8.940 9.701 1.00 1.80 H new ATOM 1593 N GLU B 6 3.228 -5.387 10.292 1.00 0.68 N ATOM 1594 CA GLU B 6 2.121 -4.888 11.094 1.00 0.67 C ATOM 1595 C GLU B 6 1.295 -3.896 10.287 1.00 0.54 C ATOM 1596 O GLU B 6 0.075 -3.823 10.415 1.00 0.60 O ATOM 1597 CB GLU B 6 2.669 -4.256 12.381 1.00 0.78 C ATOM 1598 CG GLU B 6 1.663 -3.443 13.179 1.00 1.06 C ATOM 1599 CD GLU B 6 1.801 -1.952 12.940 1.00 1.78 C ATOM 1600 OE1 GLU B 6 2.732 -1.336 13.501 1.00 2.48 O ATOM 1601 OE2 GLU B 6 0.980 -1.385 12.191 1.00 2.51 O ATOM 0 H GLU B 6 4.146 -5.068 10.601 1.00 0.68 H new ATOM 0 HA GLU B 6 1.463 -5.712 11.372 1.00 0.67 H new ATOM 0 HB2 GLU B 6 3.060 -5.049 13.019 1.00 0.78 H new ATOM 0 HB3 GLU B 6 3.509 -3.612 12.122 1.00 0.78 H new ATOM 0 HG2 GLU B 6 0.654 -3.758 12.914 1.00 1.06 H new ATOM 0 HG3 GLU B 6 1.793 -3.651 14.241 1.00 1.06 H new ATOM 1608 N HIS B 7 1.967 -3.159 9.420 1.00 0.42 N ATOM 1609 CA HIS B 7 1.297 -2.169 8.598 1.00 0.38 C ATOM 1610 C HIS B 7 0.679 -2.822 7.370 1.00 0.35 C ATOM 1611 O HIS B 7 -0.363 -2.381 6.890 1.00 0.39 O ATOM 1612 CB HIS B 7 2.263 -1.049 8.203 1.00 0.43 C ATOM 1613 CG HIS B 7 2.654 -0.186 9.362 1.00 0.95 C ATOM 1614 ND1 HIS B 7 2.121 1.062 9.586 1.00 1.73 N ATOM 1615 CD2 HIS B 7 3.501 -0.418 10.392 1.00 1.60 C ATOM 1616 CE1 HIS B 7 2.617 1.554 10.704 1.00 2.16 C ATOM 1617 NE2 HIS B 7 3.458 0.677 11.217 1.00 2.03 N ATOM 0 H HIS B 7 2.973 -3.228 9.268 1.00 0.42 H new ATOM 0 HA HIS B 7 0.492 -1.724 9.182 1.00 0.38 H new ATOM 0 HB2 HIS B 7 3.159 -1.486 7.763 1.00 0.43 H new ATOM 0 HB3 HIS B 7 1.800 -0.430 7.435 1.00 0.43 H new ATOM 0 HD2 HIS B 7 4.101 -1.304 10.538 1.00 1.60 H new ATOM 0 HE1 HIS B 7 2.375 2.517 11.130 1.00 2.16 H new ATOM 0 HE2 HIS B 7 3.987 0.793 12.081 1.00 2.03 H new ATOM 1626 N LEU B 8 1.307 -3.892 6.889 1.00 0.34 N ATOM 1627 CA LEU B 8 0.801 -4.630 5.735 1.00 0.33 C ATOM 1628 C LEU B 8 -0.412 -5.450 6.114 1.00 0.34 C ATOM 1629 O LEU B 8 -1.505 -5.251 5.583 1.00 0.34 O ATOM 1630 CB LEU B 8 1.865 -5.571 5.196 1.00 0.33 C ATOM 1631 CG LEU B 8 3.151 -4.897 4.738 1.00 0.33 C ATOM 1632 CD1 LEU B 8 4.127 -5.937 4.244 1.00 0.33 C ATOM 1633 CD2 LEU B 8 2.871 -3.866 3.655 1.00 0.33 C ATOM 0 H LEU B 8 2.170 -4.268 7.282 1.00 0.34 H new ATOM 0 HA LEU B 8 0.529 -3.900 4.972 1.00 0.33 H new ATOM 0 HB2 LEU B 8 2.110 -6.299 5.970 1.00 0.33 H new ATOM 0 HB3 LEU B 8 1.446 -6.127 4.357 1.00 0.33 H new ATOM 0 HG LEU B 8 3.591 -4.375 5.588 1.00 0.33 H new ATOM 0 HD11 LEU B 8 5.045 -5.448 3.918 1.00 0.33 H new ATOM 0 HD12 LEU B 8 4.354 -6.635 5.050 1.00 0.33 H new ATOM 0 HD13 LEU B 8 3.688 -6.480 3.407 1.00 0.33 H new ATOM 0 HD21 LEU B 8 3.806 -3.400 3.346 1.00 0.33 H new ATOM 0 HD22 LEU B 8 2.409 -4.355 2.798 1.00 0.33 H new ATOM 0 HD23 LEU B 8 2.197 -3.103 4.044 1.00 0.33 H new ATOM 1645 N GLU B 9 -0.212 -6.367 7.050 1.00 0.37 N ATOM 1646 CA GLU B 9 -1.289 -7.219 7.507 1.00 0.40 C ATOM 1647 C GLU B 9 -2.315 -6.374 8.240 1.00 0.40 C ATOM 1648 O GLU B 9 -3.475 -6.748 8.362 1.00 0.42 O ATOM 1649 CB GLU B 9 -0.761 -8.335 8.406 1.00 0.48 C ATOM 1650 CG GLU B 9 -1.815 -9.372 8.742 1.00 1.24 C ATOM 1651 CD GLU B 9 -1.277 -10.502 9.587 1.00 1.72 C ATOM 1652 OE1 GLU B 9 -1.062 -10.295 10.799 1.00 2.16 O ATOM 1653 OE2 GLU B 9 -1.062 -11.604 9.041 1.00 2.41 O ATOM 0 H GLU B 9 0.686 -6.536 7.504 1.00 0.37 H new ATOM 0 HA GLU B 9 -1.761 -7.692 6.646 1.00 0.40 H new ATOM 0 HB2 GLU B 9 0.079 -8.825 7.913 1.00 0.48 H new ATOM 0 HB3 GLU B 9 -0.379 -7.900 9.330 1.00 0.48 H new ATOM 0 HG2 GLU B 9 -2.637 -8.889 9.270 1.00 1.24 H new ATOM 0 HG3 GLU B 9 -2.225 -9.779 7.818 1.00 1.24 H new ATOM 1660 N GLY B 10 -1.868 -5.223 8.723 1.00 0.41 N ATOM 1661 CA GLY B 10 -2.772 -4.263 9.304 1.00 0.43 C ATOM 1662 C GLY B 10 -3.781 -3.766 8.293 1.00 0.39 C ATOM 1663 O GLY B 10 -4.969 -3.729 8.577 1.00 0.44 O ATOM 0 H GLY B 10 -0.888 -4.940 8.720 1.00 0.41 H new ATOM 0 HA2 GLY B 10 -3.294 -4.717 10.147 1.00 0.43 H new ATOM 0 HA3 GLY B 10 -2.205 -3.420 9.697 1.00 0.43 H new ATOM 1667 N ILE B 11 -3.305 -3.396 7.103 1.00 0.34 N ATOM 1668 CA ILE B 11 -4.185 -2.970 6.017 1.00 0.33 C ATOM 1669 C ILE B 11 -5.111 -4.114 5.615 1.00 0.33 C ATOM 1670 O ILE B 11 -6.317 -3.929 5.441 1.00 0.38 O ATOM 1671 CB ILE B 11 -3.371 -2.497 4.791 1.00 0.36 C ATOM 1672 CG1 ILE B 11 -2.698 -1.149 5.075 1.00 0.41 C ATOM 1673 CG2 ILE B 11 -4.250 -2.407 3.554 1.00 0.50 C ATOM 1674 CD1 ILE B 11 -3.673 -0.015 5.325 1.00 1.16 C ATOM 0 H ILE B 11 -2.313 -3.383 6.868 1.00 0.34 H new ATOM 0 HA ILE B 11 -4.781 -2.130 6.375 1.00 0.33 H new ATOM 0 HB ILE B 11 -2.593 -3.236 4.599 1.00 0.36 H new ATOM 0 HG12 ILE B 11 -2.048 -1.254 5.944 1.00 0.41 H new ATOM 0 HG13 ILE B 11 -2.061 -0.887 4.230 1.00 0.41 H new ATOM 0 HG21 ILE B 11 -3.652 -2.072 2.706 1.00 0.50 H new ATOM 0 HG22 ILE B 11 -4.672 -3.388 3.335 1.00 0.50 H new ATOM 0 HG23 ILE B 11 -5.057 -1.696 3.732 1.00 0.50 H new ATOM 0 HD11 ILE B 11 -3.120 0.904 5.518 1.00 1.16 H new ATOM 0 HD12 ILE B 11 -4.307 0.120 4.448 1.00 1.16 H new ATOM 0 HD13 ILE B 11 -4.294 -0.253 6.189 1.00 1.16 H new ATOM 1686 N VAL B 12 -4.523 -5.294 5.480 1.00 0.33 N ATOM 1687 CA VAL B 12 -5.265 -6.528 5.276 1.00 0.38 C ATOM 1688 C VAL B 12 -6.387 -6.678 6.312 1.00 0.40 C ATOM 1689 O VAL B 12 -7.519 -7.048 5.983 1.00 0.46 O ATOM 1690 CB VAL B 12 -4.284 -7.707 5.371 1.00 0.45 C ATOM 1691 CG1 VAL B 12 -5.000 -9.032 5.528 1.00 0.57 C ATOM 1692 CG2 VAL B 12 -3.403 -7.711 4.139 1.00 0.48 C ATOM 0 H VAL B 12 -3.511 -5.422 5.509 1.00 0.33 H new ATOM 0 HA VAL B 12 -5.733 -6.510 4.292 1.00 0.38 H new ATOM 0 HB VAL B 12 -3.671 -7.579 6.263 1.00 0.45 H new ATOM 0 HG11 VAL B 12 -4.267 -9.836 5.591 1.00 0.57 H new ATOM 0 HG12 VAL B 12 -5.600 -9.016 6.438 1.00 0.57 H new ATOM 0 HG13 VAL B 12 -5.649 -9.199 4.668 1.00 0.57 H new ATOM 0 HG21 VAL B 12 -2.702 -8.544 4.195 1.00 0.48 H new ATOM 0 HG22 VAL B 12 -4.023 -7.818 3.249 1.00 0.48 H new ATOM 0 HG23 VAL B 12 -2.849 -6.774 4.085 1.00 0.48 H new ATOM 1702 N ASN B 13 -6.068 -6.354 7.556 1.00 0.42 N ATOM 1703 CA ASN B 13 -7.015 -6.458 8.654 1.00 0.49 C ATOM 1704 C ASN B 13 -7.988 -5.278 8.663 1.00 0.48 C ATOM 1705 O ASN B 13 -9.031 -5.339 9.304 1.00 0.59 O ATOM 1706 CB ASN B 13 -6.275 -6.547 9.991 1.00 0.62 C ATOM 1707 CG ASN B 13 -7.193 -6.922 11.139 1.00 0.75 C ATOM 1708 OD1 ASN B 13 -8.194 -7.620 10.956 1.00 1.31 O ATOM 1709 ND2 ASN B 13 -6.860 -6.467 12.337 1.00 1.42 N ATOM 0 H ASN B 13 -5.147 -6.012 7.832 1.00 0.42 H new ATOM 0 HA ASN B 13 -7.594 -7.370 8.510 1.00 0.49 H new ATOM 0 HB2 ASN B 13 -5.477 -7.285 9.912 1.00 0.62 H new ATOM 0 HB3 ASN B 13 -5.803 -5.588 10.206 1.00 0.62 H new ATOM 0 HD21 ASN B 13 -7.439 -6.691 13.147 1.00 1.42 H new ATOM 0 HD22 ASN B 13 -6.025 -5.892 12.450 1.00 1.42 H new ATOM 1716 N ILE B 14 -7.637 -4.197 7.970 1.00 0.48 N ATOM 1717 CA ILE B 14 -8.537 -3.052 7.837 1.00 0.57 C ATOM 1718 C ILE B 14 -9.658 -3.384 6.852 1.00 0.53 C ATOM 1719 O ILE B 14 -10.816 -2.992 7.045 1.00 0.61 O ATOM 1720 CB ILE B 14 -7.802 -1.765 7.379 1.00 0.68 C ATOM 1721 CG1 ILE B 14 -6.709 -1.373 8.381 1.00 1.33 C ATOM 1722 CG2 ILE B 14 -8.784 -0.614 7.212 1.00 1.13 C ATOM 1723 CD1 ILE B 14 -7.225 -1.093 9.778 1.00 2.06 C ATOM 0 H ILE B 14 -6.741 -4.089 7.494 1.00 0.48 H new ATOM 0 HA ILE B 14 -8.952 -2.853 8.825 1.00 0.57 H new ATOM 0 HB ILE B 14 -7.336 -1.974 6.416 1.00 0.68 H new ATOM 0 HG12 ILE B 14 -5.972 -2.174 8.431 1.00 1.33 H new ATOM 0 HG13 ILE B 14 -6.192 -0.487 8.011 1.00 1.33 H new ATOM 0 HG21 ILE B 14 -8.247 0.278 6.890 1.00 1.13 H new ATOM 0 HG22 ILE B 14 -9.530 -0.878 6.463 1.00 1.13 H new ATOM 0 HG23 ILE B 14 -9.279 -0.417 8.163 1.00 1.13 H new ATOM 0 HD11 ILE B 14 -6.391 -0.823 10.426 1.00 2.06 H new ATOM 0 HD12 ILE B 14 -7.940 -0.271 9.744 1.00 2.06 H new ATOM 0 HD13 ILE B 14 -7.716 -1.984 10.170 1.00 2.06 H new ATOM 1735 N PHE B 15 -9.328 -4.132 5.803 1.00 0.48 N ATOM 1736 CA PHE B 15 -10.357 -4.623 4.897 1.00 0.59 C ATOM 1737 C PHE B 15 -11.259 -5.579 5.672 1.00 0.61 C ATOM 1738 O PHE B 15 -12.480 -5.596 5.504 1.00 0.70 O ATOM 1739 CB PHE B 15 -9.736 -5.329 3.688 1.00 0.69 C ATOM 1740 CG PHE B 15 -10.706 -5.560 2.559 1.00 1.18 C ATOM 1741 CD1 PHE B 15 -11.563 -6.650 2.566 1.00 1.93 C ATOM 1742 CD2 PHE B 15 -10.757 -4.681 1.488 1.00 1.75 C ATOM 1743 CE1 PHE B 15 -12.452 -6.858 1.528 1.00 2.54 C ATOM 1744 CE2 PHE B 15 -11.644 -4.884 0.447 1.00 2.35 C ATOM 1745 CZ PHE B 15 -12.492 -5.974 0.467 1.00 2.58 C ATOM 0 H PHE B 15 -8.375 -4.406 5.563 1.00 0.48 H new ATOM 0 HA PHE B 15 -10.939 -3.784 4.516 1.00 0.59 H new ATOM 0 HB2 PHE B 15 -8.900 -4.734 3.321 1.00 0.69 H new ATOM 0 HB3 PHE B 15 -9.329 -6.288 4.008 1.00 0.69 H new ATOM 0 HD1 PHE B 15 -11.536 -7.345 3.392 1.00 1.93 H new ATOM 0 HD2 PHE B 15 -10.096 -3.827 1.467 1.00 1.75 H new ATOM 0 HE1 PHE B 15 -13.115 -7.711 1.546 1.00 2.54 H new ATOM 0 HE2 PHE B 15 -11.674 -4.191 -0.381 1.00 2.35 H new ATOM 0 HZ PHE B 15 -13.185 -6.135 -0.345 1.00 2.58 H new ATOM 1755 N HIS B 16 -10.626 -6.348 6.551 1.00 0.60 N ATOM 1756 CA HIS B 16 -11.327 -7.244 7.463 1.00 0.72 C ATOM 1757 C HIS B 16 -12.095 -6.450 8.527 1.00 0.75 C ATOM 1758 O HIS B 16 -13.013 -6.968 9.162 1.00 0.88 O ATOM 1759 CB HIS B 16 -10.319 -8.197 8.120 1.00 0.77 C ATOM 1760 CG HIS B 16 -10.919 -9.132 9.125 1.00 1.16 C ATOM 1761 ND1 HIS B 16 -10.545 -9.143 10.451 1.00 1.82 N ATOM 1762 CD2 HIS B 16 -11.873 -10.084 8.996 1.00 1.85 C ATOM 1763 CE1 HIS B 16 -11.244 -10.057 11.095 1.00 2.22 C ATOM 1764 NE2 HIS B 16 -12.057 -10.641 10.236 1.00 2.23 N ATOM 0 H HIS B 16 -9.611 -6.368 6.651 1.00 0.60 H new ATOM 0 HA HIS B 16 -12.053 -7.827 6.897 1.00 0.72 H new ATOM 0 HB2 HIS B 16 -9.831 -8.783 7.342 1.00 0.77 H new ATOM 0 HB3 HIS B 16 -9.543 -7.607 8.608 1.00 0.77 H new ATOM 0 HD1 HIS B 16 -9.838 -8.539 10.869 1.00 1.82 H new ATOM 0 HD2 HIS B 16 -12.391 -10.354 8.088 1.00 1.85 H new ATOM 0 HE1 HIS B 16 -11.164 -10.288 12.147 1.00 2.22 H new ATOM 1773 N GLN B 17 -11.697 -5.202 8.737 1.00 0.70 N ATOM 1774 CA GLN B 17 -12.374 -4.335 9.690 1.00 0.82 C ATOM 1775 C GLN B 17 -13.796 -4.075 9.222 1.00 0.93 C ATOM 1776 O GLN B 17 -14.743 -4.218 9.996 1.00 1.18 O ATOM 1777 CB GLN B 17 -11.610 -3.022 9.871 1.00 0.85 C ATOM 1778 CG GLN B 17 -12.233 -2.079 10.886 1.00 1.27 C ATOM 1779 CD GLN B 17 -11.421 -0.814 11.059 1.00 1.99 C ATOM 1780 OE1 GLN B 17 -10.524 -0.746 11.901 1.00 2.60 O ATOM 1781 NE2 GLN B 17 -11.724 0.194 10.259 1.00 2.77 N ATOM 0 H GLN B 17 -10.907 -4.768 8.259 1.00 0.70 H new ATOM 0 HA GLN B 17 -12.407 -4.833 10.659 1.00 0.82 H new ATOM 0 HB2 GLN B 17 -10.589 -3.247 10.179 1.00 0.85 H new ATOM 0 HB3 GLN B 17 -11.548 -2.514 8.909 1.00 0.85 H new ATOM 0 HG2 GLN B 17 -13.243 -1.821 10.568 1.00 1.27 H new ATOM 0 HG3 GLN B 17 -12.321 -2.587 11.846 1.00 1.27 H new ATOM 0 HE21 GLN B 17 -12.475 0.095 9.576 1.00 2.77 H new ATOM 0 HE22 GLN B 17 -11.207 1.071 10.325 1.00 2.77 H new ATOM 1955 N LEU B 28 -17.031 -6.799 -3.186 1.00 1.15 N ATOM 1956 CA LEU B 28 -18.112 -5.819 -3.031 1.00 0.90 C ATOM 1957 C LEU B 28 -17.914 -4.591 -3.928 1.00 0.71 C ATOM 1958 O LEU B 28 -16.945 -4.490 -4.686 1.00 0.76 O ATOM 1959 CB LEU B 28 -18.232 -5.382 -1.565 1.00 1.66 C ATOM 1960 CG LEU B 28 -18.571 -6.497 -0.572 1.00 2.02 C ATOM 1961 CD1 LEU B 28 -18.584 -5.959 0.851 1.00 2.91 C ATOM 1962 CD2 LEU B 28 -19.913 -7.128 -0.911 1.00 2.37 C ATOM 0 HA LEU B 28 -19.035 -6.308 -3.341 1.00 0.90 H new ATOM 0 HB2 LEU B 28 -17.291 -4.923 -1.262 1.00 1.66 H new ATOM 0 HB3 LEU B 28 -18.999 -4.611 -1.495 1.00 1.66 H new ATOM 0 HG LEU B 28 -17.801 -7.265 -0.646 1.00 2.02 H new ATOM 0 HD11 LEU B 28 -18.827 -6.766 1.543 1.00 2.91 H new ATOM 0 HD12 LEU B 28 -17.602 -5.554 1.096 1.00 2.91 H new ATOM 0 HD13 LEU B 28 -19.333 -5.171 0.935 1.00 2.91 H new ATOM 0 HD21 LEU B 28 -20.135 -7.918 -0.194 1.00 2.37 H new ATOM 0 HD22 LEU B 28 -20.694 -6.368 -0.868 1.00 2.37 H new ATOM 0 HD23 LEU B 28 -19.873 -7.551 -1.915 1.00 2.37 H new ATOM 1974 N SER B 29 -18.875 -3.682 -3.871 1.00 0.61 N ATOM 1975 CA SER B 29 -18.793 -2.436 -4.609 1.00 0.48 C ATOM 1976 C SER B 29 -18.462 -1.269 -3.682 1.00 0.44 C ATOM 1977 O SER B 29 -18.334 -1.455 -2.476 1.00 0.53 O ATOM 1978 CB SER B 29 -20.102 -2.196 -5.355 1.00 0.55 C ATOM 1979 OG SER B 29 -21.223 -2.532 -4.552 1.00 1.35 O ATOM 0 H SER B 29 -19.725 -3.787 -3.317 1.00 0.61 H new ATOM 0 HA SER B 29 -17.984 -2.509 -5.336 1.00 0.48 H new ATOM 0 HB2 SER B 29 -20.166 -1.150 -5.653 1.00 0.55 H new ATOM 0 HB3 SER B 29 -20.116 -2.789 -6.269 1.00 0.55 H new ATOM 0 HG SER B 29 -22.047 -2.366 -5.055 1.00 1.35 H new ATOM 1985 N LYS B 30 -18.390 -0.068 -4.272 1.00 0.38 N ATOM 1986 CA LYS B 30 -17.817 1.140 -3.649 1.00 0.36 C ATOM 1987 C LYS B 30 -18.323 1.427 -2.230 1.00 0.36 C ATOM 1988 O LYS B 30 -17.675 2.164 -1.490 1.00 0.37 O ATOM 1989 CB LYS B 30 -18.121 2.340 -4.546 1.00 0.39 C ATOM 1990 CG LYS B 30 -17.203 3.530 -4.325 1.00 0.41 C ATOM 1991 CD LYS B 30 -17.530 4.688 -5.262 1.00 0.50 C ATOM 1992 CE LYS B 30 -17.538 4.262 -6.726 1.00 0.52 C ATOM 1993 NZ LYS B 30 -18.860 3.734 -7.159 1.00 1.32 N ATOM 0 H LYS B 30 -18.736 0.098 -5.217 1.00 0.38 H new ATOM 0 HA LYS B 30 -16.746 0.961 -3.551 1.00 0.36 H new ATOM 0 HB2 LYS B 30 -18.049 2.028 -5.588 1.00 0.39 H new ATOM 0 HB3 LYS B 30 -19.151 2.654 -4.378 1.00 0.39 H new ATOM 0 HG2 LYS B 30 -17.287 3.866 -3.291 1.00 0.41 H new ATOM 0 HG3 LYS B 30 -16.168 3.222 -4.477 1.00 0.41 H new ATOM 0 HD2 LYS B 30 -18.505 5.100 -5.000 1.00 0.50 H new ATOM 0 HD3 LYS B 30 -16.799 5.484 -5.121 1.00 0.50 H new ATOM 0 HE2 LYS B 30 -17.269 5.114 -7.350 1.00 0.52 H new ATOM 0 HE3 LYS B 30 -16.776 3.498 -6.883 1.00 0.52 H new ATOM 0 HZ1 LYS B 30 -18.758 2.741 -7.452 1.00 1.32 H new ATOM 0 HZ2 LYS B 30 -19.534 3.795 -6.369 1.00 1.32 H new ATOM 0 HZ3 LYS B 30 -19.213 4.297 -7.959 1.00 1.32 H new ATOM 2007 N GLY B 31 -19.468 0.859 -1.868 1.00 0.39 N ATOM 2008 CA GLY B 31 -20.085 1.112 -0.575 1.00 0.40 C ATOM 2009 C GLY B 31 -19.138 0.985 0.609 1.00 0.38 C ATOM 2010 O GLY B 31 -19.161 1.818 1.520 1.00 0.39 O ATOM 0 H GLY B 31 -19.991 0.214 -2.460 1.00 0.39 H new ATOM 0 HA2 GLY B 31 -20.510 2.116 -0.579 1.00 0.40 H new ATOM 0 HA3 GLY B 31 -20.913 0.416 -0.439 1.00 0.40 H new ATOM 2014 N GLU B 32 -18.292 -0.034 0.596 1.00 0.44 N ATOM 2015 CA GLU B 32 -17.440 -0.318 1.746 1.00 0.50 C ATOM 2016 C GLU B 32 -16.194 0.552 1.746 1.00 0.42 C ATOM 2017 O GLU B 32 -15.793 1.067 2.790 1.00 0.44 O ATOM 2018 CB GLU B 32 -17.078 -1.804 1.821 1.00 0.67 C ATOM 2019 CG GLU B 32 -16.974 -2.506 0.478 1.00 0.96 C ATOM 2020 CD GLU B 32 -15.794 -2.039 -0.343 1.00 1.58 C ATOM 2021 OE1 GLU B 32 -14.677 -2.526 -0.103 1.00 2.43 O ATOM 2022 OE2 GLU B 32 -15.987 -1.155 -1.206 1.00 2.10 O ATOM 0 H GLU B 32 -18.176 -0.674 -0.189 1.00 0.44 H new ATOM 0 HA GLU B 32 -18.012 -0.072 2.641 1.00 0.50 H new ATOM 0 HB2 GLU B 32 -16.126 -1.905 2.342 1.00 0.67 H new ATOM 0 HB3 GLU B 32 -17.828 -2.316 2.425 1.00 0.67 H new ATOM 0 HG2 GLU B 32 -16.893 -3.581 0.641 1.00 0.96 H new ATOM 0 HG3 GLU B 32 -17.891 -2.337 -0.086 1.00 0.96 H new ATOM 2029 N LEU B 33 -15.597 0.714 0.578 1.00 0.38 N ATOM 2030 CA LEU B 33 -14.466 1.599 0.403 1.00 0.34 C ATOM 2031 C LEU B 33 -14.860 3.004 0.795 1.00 0.30 C ATOM 2032 O LEU B 33 -14.120 3.707 1.463 1.00 0.32 O ATOM 2033 CB LEU B 33 -14.020 1.591 -1.051 1.00 0.34 C ATOM 2034 CG LEU B 33 -12.617 2.127 -1.289 1.00 0.39 C ATOM 2035 CD1 LEU B 33 -11.584 1.163 -0.734 1.00 0.52 C ATOM 2036 CD2 LEU B 33 -12.391 2.382 -2.766 1.00 0.46 C ATOM 0 H LEU B 33 -15.885 0.234 -0.274 1.00 0.38 H new ATOM 0 HA LEU B 33 -13.645 1.256 1.033 1.00 0.34 H new ATOM 0 HB2 LEU B 33 -14.072 0.569 -1.427 1.00 0.34 H new ATOM 0 HB3 LEU B 33 -14.724 2.183 -1.636 1.00 0.34 H new ATOM 0 HG LEU B 33 -12.509 3.077 -0.765 1.00 0.39 H new ATOM 0 HD11 LEU B 33 -10.584 1.559 -0.911 1.00 0.52 H new ATOM 0 HD12 LEU B 33 -11.741 1.039 0.338 1.00 0.52 H new ATOM 0 HD13 LEU B 33 -11.685 0.197 -1.229 1.00 0.52 H new ATOM 0 HD21 LEU B 33 -11.382 2.765 -2.919 1.00 0.46 H new ATOM 0 HD22 LEU B 33 -12.513 1.451 -3.319 1.00 0.46 H new ATOM 0 HD23 LEU B 33 -13.115 3.114 -3.124 1.00 0.46 H new ATOM 2048 N LYS B 34 -16.051 3.387 0.379 1.00 0.29 N ATOM 2049 CA LYS B 34 -16.598 4.689 0.686 1.00 0.31 C ATOM 2050 C LYS B 34 -16.642 4.915 2.194 1.00 0.35 C ATOM 2051 O LYS B 34 -16.232 5.965 2.681 1.00 0.41 O ATOM 2052 CB LYS B 34 -17.988 4.791 0.071 1.00 0.34 C ATOM 2053 CG LYS B 34 -18.733 6.076 0.397 1.00 0.53 C ATOM 2054 CD LYS B 34 -20.099 6.116 -0.275 1.00 0.85 C ATOM 2055 CE LYS B 34 -21.032 5.046 0.273 1.00 1.30 C ATOM 2056 NZ LYS B 34 -21.375 5.280 1.701 1.00 1.87 N ATOM 0 H LYS B 34 -16.667 2.800 -0.183 1.00 0.29 H new ATOM 0 HA LYS B 34 -15.960 5.466 0.264 1.00 0.31 H new ATOM 0 HB2 LYS B 34 -17.899 4.703 -1.012 1.00 0.34 H new ATOM 0 HB3 LYS B 34 -18.584 3.945 0.412 1.00 0.34 H new ATOM 0 HG2 LYS B 34 -18.855 6.163 1.477 1.00 0.53 H new ATOM 0 HG3 LYS B 34 -18.142 6.933 0.073 1.00 0.53 H new ATOM 0 HD2 LYS B 34 -20.547 7.099 -0.128 1.00 0.85 H new ATOM 0 HD3 LYS B 34 -19.979 5.978 -1.350 1.00 0.85 H new ATOM 0 HE2 LYS B 34 -21.946 5.025 -0.320 1.00 1.30 H new ATOM 0 HE3 LYS B 34 -20.562 4.068 0.169 1.00 1.30 H new ATOM 0 HZ1 LYS B 34 -22.150 4.645 1.981 1.00 1.87 H new ATOM 0 HZ2 LYS B 34 -20.541 5.091 2.294 1.00 1.87 H new ATOM 0 HZ3 LYS B 34 -21.674 6.268 1.829 1.00 1.87 H new ATOM 2070 N GLN B 35 -17.120 3.919 2.926 1.00 0.36 N ATOM 2071 CA GLN B 35 -17.100 3.969 4.381 1.00 0.43 C ATOM 2072 C GLN B 35 -15.669 4.008 4.898 1.00 0.43 C ATOM 2073 O GLN B 35 -15.266 4.989 5.515 1.00 0.50 O ATOM 2074 CB GLN B 35 -17.847 2.776 4.969 1.00 0.50 C ATOM 2075 CG GLN B 35 -19.336 3.022 5.121 1.00 1.07 C ATOM 2076 CD GLN B 35 -20.064 1.827 5.694 1.00 1.67 C ATOM 2077 OE1 GLN B 35 -20.546 0.967 4.960 1.00 2.45 O ATOM 2078 NE2 GLN B 35 -20.144 1.762 7.013 1.00 2.06 N ATOM 0 H GLN B 35 -17.526 3.068 2.537 1.00 0.36 H new ATOM 0 HA GLN B 35 -17.604 4.882 4.698 1.00 0.43 H new ATOM 0 HB2 GLN B 35 -17.692 1.907 4.330 1.00 0.50 H new ATOM 0 HB3 GLN B 35 -17.423 2.534 5.944 1.00 0.50 H new ATOM 0 HG2 GLN B 35 -19.494 3.885 5.768 1.00 1.07 H new ATOM 0 HG3 GLN B 35 -19.761 3.271 4.149 1.00 1.07 H new ATOM 0 HE21 GLN B 35 -19.730 2.497 7.586 1.00 2.06 H new ATOM 0 HE22 GLN B 35 -20.620 0.976 7.457 1.00 2.06 H new ATOM 2087 N LEU B 36 -14.906 2.958 4.603 1.00 0.38 N ATOM 2088 CA LEU B 36 -13.540 2.812 5.091 1.00 0.39 C ATOM 2089 C LEU B 36 -12.737 4.089 4.867 1.00 0.38 C ATOM 2090 O LEU B 36 -12.115 4.604 5.776 1.00 0.45 O ATOM 2091 CB LEU B 36 -12.869 1.636 4.380 1.00 0.37 C ATOM 2092 CG LEU B 36 -11.481 1.245 4.893 1.00 0.40 C ATOM 2093 CD1 LEU B 36 -11.237 -0.228 4.634 1.00 0.45 C ATOM 2094 CD2 LEU B 36 -10.392 2.075 4.225 1.00 0.40 C ATOM 0 H LEU B 36 -15.220 2.184 4.018 1.00 0.38 H new ATOM 0 HA LEU B 36 -13.572 2.621 6.164 1.00 0.39 H new ATOM 0 HB2 LEU B 36 -13.522 0.767 4.461 1.00 0.37 H new ATOM 0 HB3 LEU B 36 -12.788 1.876 3.320 1.00 0.37 H new ATOM 0 HG LEU B 36 -11.446 1.440 5.965 1.00 0.40 H new ATOM 0 HD11 LEU B 36 -10.248 -0.503 5.000 1.00 0.45 H new ATOM 0 HD12 LEU B 36 -11.993 -0.819 5.152 1.00 0.45 H new ATOM 0 HD13 LEU B 36 -11.294 -0.424 3.563 1.00 0.45 H new ATOM 0 HD21 LEU B 36 -9.418 1.774 4.610 1.00 0.40 H new ATOM 0 HD22 LEU B 36 -10.422 1.914 3.147 1.00 0.40 H new ATOM 0 HD23 LEU B 36 -10.556 3.131 4.439 1.00 0.40 H new ATOM 2106 N LEU B 37 -12.772 4.602 3.658 1.00 0.34 N ATOM 2107 CA LEU B 37 -11.972 5.758 3.298 1.00 0.35 C ATOM 2108 C LEU B 37 -12.393 7.015 4.052 1.00 0.41 C ATOM 2109 O LEU B 37 -11.550 7.720 4.600 1.00 0.45 O ATOM 2110 CB LEU B 37 -12.057 6.005 1.800 1.00 0.34 C ATOM 2111 CG LEU B 37 -11.504 4.880 0.922 1.00 0.30 C ATOM 2112 CD1 LEU B 37 -11.582 5.260 -0.545 1.00 0.38 C ATOM 2113 CD2 LEU B 37 -10.074 4.557 1.316 1.00 0.32 C ATOM 0 H LEU B 37 -13.349 4.236 2.901 1.00 0.34 H new ATOM 0 HA LEU B 37 -10.943 5.537 3.581 1.00 0.35 H new ATOM 0 HB2 LEU B 37 -13.101 6.172 1.534 1.00 0.34 H new ATOM 0 HB3 LEU B 37 -11.518 6.924 1.568 1.00 0.34 H new ATOM 0 HG LEU B 37 -12.114 3.990 1.076 1.00 0.30 H new ATOM 0 HD11 LEU B 37 -11.184 4.447 -1.153 1.00 0.38 H new ATOM 0 HD12 LEU B 37 -12.621 5.443 -0.819 1.00 0.38 H new ATOM 0 HD13 LEU B 37 -10.997 6.163 -0.719 1.00 0.38 H new ATOM 0 HD21 LEU B 37 -9.694 3.755 0.683 1.00 0.32 H new ATOM 0 HD22 LEU B 37 -9.453 5.444 1.190 1.00 0.32 H new ATOM 0 HD23 LEU B 37 -10.047 4.240 2.358 1.00 0.32 H new ATOM 2125 N THR B 38 -13.691 7.287 4.095 1.00 0.45 N ATOM 2126 CA THR B 38 -14.185 8.517 4.697 1.00 0.53 C ATOM 2127 C THR B 38 -13.961 8.539 6.204 1.00 0.59 C ATOM 2128 O THR B 38 -13.805 9.603 6.799 1.00 0.67 O ATOM 2129 CB THR B 38 -15.685 8.731 4.414 1.00 0.56 C ATOM 2130 OG1 THR B 38 -16.429 7.565 4.786 1.00 1.23 O ATOM 2131 CG2 THR B 38 -15.923 9.041 2.949 1.00 1.03 C ATOM 0 H THR B 38 -14.417 6.675 3.722 1.00 0.45 H new ATOM 0 HA THR B 38 -13.616 9.326 4.239 1.00 0.53 H new ATOM 0 HB THR B 38 -16.022 9.581 5.008 1.00 0.56 H new ATOM 0 HG1 THR B 38 -16.612 7.025 3.989 1.00 1.23 H new ATOM 0 HG21 THR B 38 -16.989 9.187 2.777 1.00 1.03 H new ATOM 0 HG22 THR B 38 -15.383 9.948 2.677 1.00 1.03 H new ATOM 0 HG23 THR B 38 -15.568 8.211 2.339 1.00 1.03 H new ATOM 2139 N LYS B 39 -13.965 7.369 6.822 1.00 0.58 N ATOM 2140 CA LYS B 39 -13.810 7.286 8.266 1.00 0.67 C ATOM 2141 C LYS B 39 -12.367 7.001 8.680 1.00 0.65 C ATOM 2142 O LYS B 39 -11.881 7.559 9.665 1.00 0.72 O ATOM 2143 CB LYS B 39 -14.761 6.237 8.849 1.00 0.72 C ATOM 2144 CG LYS B 39 -14.547 4.845 8.292 1.00 0.68 C ATOM 2145 CD LYS B 39 -15.745 3.939 8.535 1.00 0.74 C ATOM 2146 CE LYS B 39 -15.933 3.632 10.014 1.00 0.87 C ATOM 2147 NZ LYS B 39 -14.783 2.870 10.576 1.00 1.62 N ATOM 0 H LYS B 39 -14.073 6.470 6.352 1.00 0.58 H new ATOM 0 HA LYS B 39 -14.070 8.262 8.675 1.00 0.67 H new ATOM 0 HB2 LYS B 39 -14.637 6.209 9.932 1.00 0.72 H new ATOM 0 HB3 LYS B 39 -15.789 6.543 8.654 1.00 0.72 H new ATOM 0 HG2 LYS B 39 -14.354 4.910 7.221 1.00 0.68 H new ATOM 0 HG3 LYS B 39 -13.661 4.404 8.750 1.00 0.68 H new ATOM 0 HD2 LYS B 39 -16.645 4.415 8.146 1.00 0.74 H new ATOM 0 HD3 LYS B 39 -15.613 3.007 7.985 1.00 0.74 H new ATOM 0 HE2 LYS B 39 -16.054 4.564 10.565 1.00 0.87 H new ATOM 0 HE3 LYS B 39 -16.850 3.059 10.152 1.00 0.87 H new ATOM 0 HZ1 LYS B 39 -15.067 2.422 11.470 1.00 1.62 H new ATOM 0 HZ2 LYS B 39 -14.489 2.137 9.900 1.00 1.62 H new ATOM 0 HZ3 LYS B 39 -13.989 3.519 10.751 1.00 1.62 H new ATOM 2161 N GLU B 40 -11.675 6.160 7.920 1.00 0.57 N ATOM 2162 CA GLU B 40 -10.361 5.668 8.328 1.00 0.58 C ATOM 2163 C GLU B 40 -9.246 6.519 7.733 1.00 0.56 C ATOM 2164 O GLU B 40 -8.219 6.751 8.370 1.00 0.64 O ATOM 2165 CB GLU B 40 -10.173 4.201 7.904 1.00 0.58 C ATOM 2166 CG GLU B 40 -11.225 3.249 8.453 1.00 0.88 C ATOM 2167 CD GLU B 40 -11.420 3.369 9.954 1.00 1.14 C ATOM 2168 OE1 GLU B 40 -10.650 2.746 10.715 1.00 1.63 O ATOM 2169 OE2 GLU B 40 -12.359 4.071 10.385 1.00 1.67 O ATOM 0 H GLU B 40 -11.999 5.805 7.021 1.00 0.57 H new ATOM 0 HA GLU B 40 -10.309 5.735 9.415 1.00 0.58 H new ATOM 0 HB2 GLU B 40 -10.183 4.146 6.815 1.00 0.58 H new ATOM 0 HB3 GLU B 40 -9.189 3.864 8.231 1.00 0.58 H new ATOM 0 HG2 GLU B 40 -12.175 3.441 7.954 1.00 0.88 H new ATOM 0 HG3 GLU B 40 -10.940 2.225 8.212 1.00 0.88 H new ATOM 2176 N LEU B 41 -9.452 6.986 6.511 1.00 0.50 N ATOM 2177 CA LEU B 41 -8.432 7.753 5.806 1.00 0.49 C ATOM 2178 C LEU B 41 -8.941 9.164 5.542 1.00 0.53 C ATOM 2179 O LEU B 41 -8.557 9.816 4.568 1.00 0.53 O ATOM 2180 CB LEU B 41 -8.059 7.054 4.493 1.00 0.43 C ATOM 2181 CG LEU B 41 -7.743 5.557 4.618 1.00 0.51 C ATOM 2182 CD1 LEU B 41 -7.256 5.000 3.291 1.00 1.22 C ATOM 2183 CD2 LEU B 41 -6.719 5.301 5.714 1.00 1.42 C ATOM 0 H LEU B 41 -10.315 6.848 5.986 1.00 0.50 H new ATOM 0 HA LEU B 41 -7.537 7.816 6.424 1.00 0.49 H new ATOM 0 HB2 LEU B 41 -8.881 7.178 3.787 1.00 0.43 H new ATOM 0 HB3 LEU B 41 -7.192 7.558 4.065 1.00 0.43 H new ATOM 0 HG LEU B 41 -8.664 5.042 4.892 1.00 0.51 H new ATOM 0 HD11 LEU B 41 -7.037 3.938 3.401 1.00 1.22 H new ATOM 0 HD12 LEU B 41 -8.029 5.135 2.534 1.00 1.22 H new ATOM 0 HD13 LEU B 41 -6.352 5.527 2.985 1.00 1.22 H new ATOM 0 HD21 LEU B 41 -6.515 4.232 5.779 1.00 1.42 H new ATOM 0 HD22 LEU B 41 -5.796 5.833 5.481 1.00 1.42 H new ATOM 0 HD23 LEU B 41 -7.111 5.654 6.668 1.00 1.42 H new ATOM 2195 N ALA B 42 -9.811 9.614 6.443 1.00 0.58 N ATOM 2196 CA ALA B 42 -10.487 10.907 6.339 1.00 0.64 C ATOM 2197 C ALA B 42 -9.528 12.074 6.118 1.00 0.71 C ATOM 2198 O ALA B 42 -9.859 13.041 5.429 1.00 0.78 O ATOM 2199 CB ALA B 42 -11.303 11.156 7.595 1.00 0.71 C ATOM 0 H ALA B 42 -10.070 9.086 7.276 1.00 0.58 H new ATOM 0 HA ALA B 42 -11.131 10.855 5.461 1.00 0.64 H new ATOM 0 HB1 ALA B 42 -11.806 12.120 7.517 1.00 0.71 H new ATOM 0 HB2 ALA B 42 -12.046 10.367 7.709 1.00 0.71 H new ATOM 0 HB3 ALA B 42 -10.643 11.161 8.463 1.00 0.71 H new ATOM 2205 N ASN B 43 -8.347 11.992 6.703 1.00 0.74 N ATOM 2206 CA ASN B 43 -7.411 13.107 6.672 1.00 0.83 C ATOM 2207 C ASN B 43 -6.349 12.917 5.598 1.00 0.83 C ATOM 2208 O ASN B 43 -5.629 13.852 5.254 1.00 1.07 O ATOM 2209 CB ASN B 43 -6.734 13.260 8.039 1.00 1.00 C ATOM 2210 CG ASN B 43 -5.825 14.475 8.113 1.00 1.28 C ATOM 2211 OD1 ASN B 43 -6.124 15.528 7.548 1.00 1.56 O ATOM 2212 ND2 ASN B 43 -4.697 14.327 8.784 1.00 2.16 N ATOM 0 H ASN B 43 -8.012 11.169 7.204 1.00 0.74 H new ATOM 0 HA ASN B 43 -7.977 14.008 6.436 1.00 0.83 H new ATOM 0 HB2 ASN B 43 -7.499 13.337 8.812 1.00 1.00 H new ATOM 0 HB3 ASN B 43 -6.153 12.363 8.254 1.00 1.00 H new ATOM 0 HD21 ASN B 43 -4.036 15.102 8.848 1.00 2.16 H new ATOM 0 HD22 ASN B 43 -4.487 13.438 9.238 1.00 2.16 H new ATOM 2219 N THR B 44 -6.282 11.729 5.030 1.00 0.65 N ATOM 2220 CA THR B 44 -5.157 11.369 4.193 1.00 0.61 C ATOM 2221 C THR B 44 -5.438 11.718 2.750 1.00 0.59 C ATOM 2222 O THR B 44 -4.808 12.605 2.165 1.00 0.66 O ATOM 2223 CB THR B 44 -4.878 9.868 4.299 1.00 0.55 C ATOM 2224 OG1 THR B 44 -5.320 9.401 5.576 1.00 0.65 O ATOM 2225 CG2 THR B 44 -3.395 9.585 4.135 1.00 0.52 C ATOM 0 H THR B 44 -6.989 11.001 5.132 1.00 0.65 H new ATOM 0 HA THR B 44 -4.286 11.928 4.536 1.00 0.61 H new ATOM 0 HB THR B 44 -5.416 9.349 3.505 1.00 0.55 H new ATOM 0 HG1 THR B 44 -4.967 9.986 6.278 1.00 0.65 H new ATOM 0 HG21 THR B 44 -3.218 8.512 4.214 1.00 0.52 H new ATOM 0 HG22 THR B 44 -3.063 9.937 3.158 1.00 0.52 H new ATOM 0 HG23 THR B 44 -2.837 10.103 4.915 1.00 0.52 H new ATOM 2233 N ILE B 45 -6.411 11.028 2.200 1.00 0.52 N ATOM 2234 CA ILE B 45 -6.803 11.213 0.825 1.00 0.51 C ATOM 2235 C ILE B 45 -7.553 12.531 0.692 1.00 0.59 C ATOM 2236 O ILE B 45 -8.439 12.824 1.496 1.00 0.60 O ATOM 2237 CB ILE B 45 -7.690 10.043 0.370 1.00 0.43 C ATOM 2238 CG1 ILE B 45 -6.973 8.704 0.602 1.00 0.39 C ATOM 2239 CG2 ILE B 45 -8.074 10.203 -1.096 1.00 0.47 C ATOM 2240 CD1 ILE B 45 -7.790 7.500 0.185 1.00 0.35 C ATOM 0 H ILE B 45 -6.953 10.321 2.697 1.00 0.52 H new ATOM 0 HA ILE B 45 -5.917 11.239 0.191 1.00 0.51 H new ATOM 0 HB ILE B 45 -8.604 10.049 0.964 1.00 0.43 H new ATOM 0 HG12 ILE B 45 -6.033 8.704 0.050 1.00 0.39 H new ATOM 0 HG13 ILE B 45 -6.722 8.614 1.659 1.00 0.39 H new ATOM 0 HG21 ILE B 45 -8.702 9.366 -1.401 1.00 0.47 H new ATOM 0 HG22 ILE B 45 -8.623 11.135 -1.229 1.00 0.47 H new ATOM 0 HG23 ILE B 45 -7.172 10.222 -1.708 1.00 0.47 H new ATOM 0 HD11 ILE B 45 -7.221 6.590 0.377 1.00 0.35 H new ATOM 0 HD12 ILE B 45 -8.719 7.475 0.755 1.00 0.35 H new ATOM 0 HD13 ILE B 45 -8.019 7.566 -0.879 1.00 0.35 H new ATOM 2252 N LYS B 46 -7.175 13.335 -0.300 1.00 0.67 N ATOM 2253 CA LYS B 46 -7.735 14.670 -0.447 1.00 0.74 C ATOM 2254 C LYS B 46 -9.241 14.601 -0.617 1.00 0.68 C ATOM 2255 O LYS B 46 -9.741 13.875 -1.475 1.00 0.63 O ATOM 2256 CB LYS B 46 -7.094 15.416 -1.632 1.00 0.82 C ATOM 2257 CG LYS B 46 -7.646 15.056 -3.008 1.00 0.79 C ATOM 2258 CD LYS B 46 -8.787 15.989 -3.408 1.00 0.75 C ATOM 2259 CE LYS B 46 -9.317 15.665 -4.793 1.00 0.88 C ATOM 2260 NZ LYS B 46 -8.259 15.721 -5.830 1.00 1.61 N ATOM 0 H LYS B 46 -6.486 13.084 -1.009 1.00 0.67 H new ATOM 0 HA LYS B 46 -7.512 15.228 0.463 1.00 0.74 H new ATOM 0 HB2 LYS B 46 -7.222 16.487 -1.477 1.00 0.82 H new ATOM 0 HB3 LYS B 46 -6.022 15.219 -1.626 1.00 0.82 H new ATOM 0 HG2 LYS B 46 -6.849 15.114 -3.749 1.00 0.79 H new ATOM 0 HG3 LYS B 46 -8.001 14.025 -3.002 1.00 0.79 H new ATOM 0 HD2 LYS B 46 -9.595 15.908 -2.681 1.00 0.75 H new ATOM 0 HD3 LYS B 46 -8.438 17.021 -3.384 1.00 0.75 H new ATOM 0 HE2 LYS B 46 -9.762 14.670 -4.785 1.00 0.88 H new ATOM 0 HE3 LYS B 46 -10.110 16.367 -5.049 1.00 0.88 H new ATOM 0 HZ1 LYS B 46 -8.697 15.729 -6.773 1.00 1.61 H new ATOM 0 HZ2 LYS B 46 -7.694 16.585 -5.703 1.00 1.61 H new ATOM 0 HZ3 LYS B 46 -7.643 14.888 -5.742 1.00 1.61 H new ATOM 2274 N ASN B 47 -9.949 15.336 0.233 1.00 0.71 N ATOM 2275 CA ASN B 47 -11.400 15.443 0.153 1.00 0.67 C ATOM 2276 C ASN B 47 -12.039 14.071 0.005 1.00 0.59 C ATOM 2277 O ASN B 47 -13.000 13.902 -0.743 1.00 0.57 O ATOM 2278 CB ASN B 47 -11.820 16.331 -1.021 1.00 0.69 C ATOM 2279 CG ASN B 47 -11.309 17.761 -0.917 1.00 0.92 C ATOM 2280 OD1 ASN B 47 -10.242 18.024 -0.358 1.00 1.48 O ATOM 2281 ND2 ASN B 47 -12.069 18.698 -1.456 1.00 1.24 N ATOM 0 H ASN B 47 -9.534 15.873 0.995 1.00 0.71 H new ATOM 0 HA ASN B 47 -11.746 15.897 1.082 1.00 0.67 H new ATOM 0 HB2 ASN B 47 -11.454 15.890 -1.948 1.00 0.69 H new ATOM 0 HB3 ASN B 47 -12.908 16.346 -1.083 1.00 0.69 H new ATOM 0 HD21 ASN B 47 -11.779 19.675 -1.417 1.00 1.24 H new ATOM 0 HD22 ASN B 47 -12.946 18.444 -1.911 1.00 1.24 H new ATOM 2288 N ILE B 48 -11.502 13.095 0.733 1.00 0.56 N ATOM 2289 CA ILE B 48 -11.959 11.710 0.645 1.00 0.48 C ATOM 2290 C ILE B 48 -13.427 11.591 1.041 1.00 0.48 C ATOM 2291 O ILE B 48 -14.066 10.560 0.858 1.00 0.44 O ATOM 2292 CB ILE B 48 -11.103 10.793 1.541 1.00 0.46 C ATOM 2293 CG1 ILE B 48 -11.435 9.320 1.297 1.00 0.40 C ATOM 2294 CG2 ILE B 48 -11.302 11.142 3.006 1.00 0.52 C ATOM 2295 CD1 ILE B 48 -11.374 8.913 -0.160 1.00 0.38 C ATOM 0 H ILE B 48 -10.742 13.240 1.397 1.00 0.56 H new ATOM 0 HA ILE B 48 -11.850 11.393 -0.392 1.00 0.48 H new ATOM 0 HB ILE B 48 -10.056 10.953 1.282 1.00 0.46 H new ATOM 0 HG12 ILE B 48 -10.741 8.702 1.867 1.00 0.40 H new ATOM 0 HG13 ILE B 48 -12.434 9.114 1.681 1.00 0.40 H new ATOM 0 HG21 ILE B 48 -10.690 10.484 3.623 1.00 0.52 H new ATOM 0 HG22 ILE B 48 -11.008 12.178 3.177 1.00 0.52 H new ATOM 0 HG23 ILE B 48 -12.352 11.015 3.271 1.00 0.52 H new ATOM 0 HD11 ILE B 48 -11.621 7.856 -0.253 1.00 0.38 H new ATOM 0 HD12 ILE B 48 -12.088 9.504 -0.733 1.00 0.38 H new ATOM 0 HD13 ILE B 48 -10.369 9.086 -0.544 1.00 0.38 H new ATOM 2307 N LYS B 49 -13.953 12.674 1.566 1.00 0.56 N ATOM 2308 CA LYS B 49 -15.323 12.721 2.018 1.00 0.57 C ATOM 2309 C LYS B 49 -16.260 12.952 0.842 1.00 0.55 C ATOM 2310 O LYS B 49 -17.481 12.870 0.978 1.00 0.56 O ATOM 2311 CB LYS B 49 -15.468 13.831 3.051 1.00 0.66 C ATOM 2312 CG LYS B 49 -14.439 13.739 4.167 1.00 0.73 C ATOM 2313 CD LYS B 49 -14.508 12.404 4.891 1.00 0.72 C ATOM 2314 CE LYS B 49 -15.736 12.295 5.783 1.00 0.83 C ATOM 2315 NZ LYS B 49 -15.711 13.283 6.893 1.00 1.11 N ATOM 0 H LYS B 49 -13.442 13.548 1.691 1.00 0.56 H new ATOM 0 HA LYS B 49 -15.590 11.769 2.476 1.00 0.57 H new ATOM 0 HB2 LYS B 49 -15.373 14.797 2.555 1.00 0.66 H new ATOM 0 HB3 LYS B 49 -16.468 13.791 3.482 1.00 0.66 H new ATOM 0 HG2 LYS B 49 -13.440 13.876 3.753 1.00 0.73 H new ATOM 0 HG3 LYS B 49 -14.602 14.548 4.879 1.00 0.73 H new ATOM 0 HD2 LYS B 49 -14.520 11.596 4.159 1.00 0.72 H new ATOM 0 HD3 LYS B 49 -13.610 12.274 5.495 1.00 0.72 H new ATOM 0 HE2 LYS B 49 -16.634 12.447 5.183 1.00 0.83 H new ATOM 0 HE3 LYS B 49 -15.795 11.288 6.196 1.00 0.83 H new ATOM 0 HZ1 LYS B 49 -16.403 13.007 7.619 1.00 1.11 H new ATOM 0 HZ2 LYS B 49 -14.760 13.309 7.314 1.00 1.11 H new ATOM 0 HZ3 LYS B 49 -15.952 14.225 6.525 1.00 1.11 H new ATOM 2329 N ASP B 50 -15.678 13.229 -0.317 1.00 0.55 N ATOM 2330 CA ASP B 50 -16.459 13.464 -1.520 1.00 0.56 C ATOM 2331 C ASP B 50 -16.574 12.190 -2.326 1.00 0.50 C ATOM 2332 O ASP B 50 -15.582 11.507 -2.569 1.00 0.47 O ATOM 2333 CB ASP B 50 -15.832 14.549 -2.394 1.00 0.62 C ATOM 2334 CG ASP B 50 -16.880 15.315 -3.170 1.00 0.97 C ATOM 2335 OD1 ASP B 50 -17.505 14.730 -4.077 1.00 1.56 O ATOM 2336 OD2 ASP B 50 -17.098 16.505 -2.863 1.00 1.59 O ATOM 0 H ASP B 50 -14.669 13.296 -0.448 1.00 0.55 H new ATOM 0 HA ASP B 50 -17.448 13.798 -1.205 1.00 0.56 H new ATOM 0 HB2 ASP B 50 -15.266 15.239 -1.768 1.00 0.62 H new ATOM 0 HB3 ASP B 50 -15.125 14.094 -3.088 1.00 0.62 H new ATOM 2341 N LYS B 51 -17.790 11.880 -2.748 1.00 0.50 N ATOM 2342 CA LYS B 51 -18.031 10.699 -3.558 1.00 0.48 C ATOM 2343 C LYS B 51 -17.374 10.860 -4.916 1.00 0.49 C ATOM 2344 O LYS B 51 -17.090 9.880 -5.586 1.00 0.48 O ATOM 2345 CB LYS B 51 -19.523 10.455 -3.741 1.00 0.53 C ATOM 2346 CG LYS B 51 -19.973 9.039 -3.386 1.00 0.83 C ATOM 2347 CD LYS B 51 -19.264 7.972 -4.216 1.00 0.60 C ATOM 2348 CE LYS B 51 -19.609 8.062 -5.698 1.00 0.83 C ATOM 2349 NZ LYS B 51 -21.057 7.849 -5.960 1.00 0.92 N ATOM 0 H LYS B 51 -18.624 12.430 -2.543 1.00 0.50 H new ATOM 0 HA LYS B 51 -17.601 9.841 -3.041 1.00 0.48 H new ATOM 0 HB2 LYS B 51 -20.074 11.165 -3.124 1.00 0.53 H new ATOM 0 HB3 LYS B 51 -19.789 10.660 -4.778 1.00 0.53 H new ATOM 0 HG2 LYS B 51 -19.784 8.856 -2.328 1.00 0.83 H new ATOM 0 HG3 LYS B 51 -21.049 8.955 -3.537 1.00 0.83 H new ATOM 0 HD2 LYS B 51 -18.186 8.075 -4.090 1.00 0.60 H new ATOM 0 HD3 LYS B 51 -19.536 6.985 -3.842 1.00 0.60 H new ATOM 0 HE2 LYS B 51 -19.315 9.041 -6.077 1.00 0.83 H new ATOM 0 HE3 LYS B 51 -19.031 7.320 -6.248 1.00 0.83 H new ATOM 0 HZ1 LYS B 51 -21.214 7.751 -6.983 1.00 0.92 H new ATOM 0 HZ2 LYS B 51 -21.374 6.984 -5.477 1.00 0.92 H new ATOM 0 HZ3 LYS B 51 -21.598 8.663 -5.603 1.00 0.92 H new ATOM 2363 N ALA B 52 -17.136 12.103 -5.315 1.00 0.55 N ATOM 2364 CA ALA B 52 -16.430 12.377 -6.555 1.00 0.60 C ATOM 2365 C ALA B 52 -14.990 11.940 -6.412 1.00 0.57 C ATOM 2366 O ALA B 52 -14.353 11.489 -7.363 1.00 0.60 O ATOM 2367 CB ALA B 52 -16.487 13.856 -6.877 1.00 0.67 C ATOM 0 H ALA B 52 -17.422 12.934 -4.798 1.00 0.55 H new ATOM 0 HA ALA B 52 -16.904 11.826 -7.367 1.00 0.60 H new ATOM 0 HB1 ALA B 52 -15.954 14.046 -7.809 1.00 0.67 H new ATOM 0 HB2 ALA B 52 -17.527 14.165 -6.984 1.00 0.67 H new ATOM 0 HB3 ALA B 52 -16.021 14.422 -6.070 1.00 0.67 H new ATOM 2373 N VAL B 53 -14.495 12.064 -5.196 1.00 0.54 N ATOM 2374 CA VAL B 53 -13.135 11.686 -4.876 1.00 0.53 C ATOM 2375 C VAL B 53 -13.057 10.184 -4.674 1.00 0.47 C ATOM 2376 O VAL B 53 -12.188 9.513 -5.221 1.00 0.48 O ATOM 2377 CB VAL B 53 -12.643 12.427 -3.615 1.00 0.53 C ATOM 2378 CG1 VAL B 53 -11.409 11.765 -3.018 1.00 0.51 C ATOM 2379 CG2 VAL B 53 -12.352 13.882 -3.942 1.00 0.60 C ATOM 0 H VAL B 53 -15.024 12.429 -4.404 1.00 0.54 H new ATOM 0 HA VAL B 53 -12.487 11.969 -5.706 1.00 0.53 H new ATOM 0 HB VAL B 53 -13.438 12.378 -2.871 1.00 0.53 H new ATOM 0 HG11 VAL B 53 -11.093 12.316 -2.132 1.00 0.51 H new ATOM 0 HG12 VAL B 53 -11.645 10.737 -2.741 1.00 0.51 H new ATOM 0 HG13 VAL B 53 -10.604 11.767 -3.753 1.00 0.51 H new ATOM 0 HG21 VAL B 53 -12.006 14.394 -3.044 1.00 0.60 H new ATOM 0 HG22 VAL B 53 -11.581 13.935 -4.711 1.00 0.60 H new ATOM 0 HG23 VAL B 53 -13.261 14.362 -4.306 1.00 0.60 H new ATOM 2389 N ILE B 54 -13.996 9.660 -3.907 1.00 0.42 N ATOM 2390 CA ILE B 54 -14.097 8.221 -3.700 1.00 0.36 C ATOM 2391 C ILE B 54 -14.267 7.493 -5.027 1.00 0.38 C ATOM 2392 O ILE B 54 -13.745 6.398 -5.223 1.00 0.38 O ATOM 2393 CB ILE B 54 -15.276 7.896 -2.794 1.00 0.35 C ATOM 2394 CG1 ILE B 54 -15.081 8.605 -1.465 1.00 0.37 C ATOM 2395 CG2 ILE B 54 -15.410 6.388 -2.593 1.00 0.32 C ATOM 2396 CD1 ILE B 54 -16.152 8.291 -0.460 1.00 0.38 C ATOM 0 H ILE B 54 -14.702 10.208 -3.415 1.00 0.42 H new ATOM 0 HA ILE B 54 -13.173 7.886 -3.227 1.00 0.36 H new ATOM 0 HB ILE B 54 -16.198 8.243 -3.259 1.00 0.35 H new ATOM 0 HG12 ILE B 54 -14.112 8.326 -1.051 1.00 0.37 H new ATOM 0 HG13 ILE B 54 -15.057 9.681 -1.636 1.00 0.37 H new ATOM 0 HG21 ILE B 54 -16.260 6.182 -1.942 1.00 0.32 H new ATOM 0 HG22 ILE B 54 -15.566 5.905 -3.557 1.00 0.32 H new ATOM 0 HG23 ILE B 54 -14.500 6.000 -2.136 1.00 0.32 H new ATOM 0 HD11 ILE B 54 -15.951 8.830 0.466 1.00 0.38 H new ATOM 0 HD12 ILE B 54 -17.122 8.595 -0.854 1.00 0.38 H new ATOM 0 HD13 ILE B 54 -16.161 7.219 -0.261 1.00 0.38 H new ATOM 2408 N ASP B 55 -15.005 8.121 -5.930 1.00 0.43 N ATOM 2409 CA ASP B 55 -15.189 7.603 -7.275 1.00 0.47 C ATOM 2410 C ASP B 55 -13.857 7.559 -7.973 1.00 0.48 C ATOM 2411 O ASP B 55 -13.450 6.528 -8.469 1.00 0.49 O ATOM 2412 CB ASP B 55 -16.150 8.493 -8.050 1.00 0.54 C ATOM 2413 CG ASP B 55 -16.302 8.103 -9.504 1.00 0.85 C ATOM 2414 OD1 ASP B 55 -15.543 8.618 -10.348 1.00 1.43 O ATOM 2415 OD2 ASP B 55 -17.209 7.303 -9.814 1.00 1.53 O ATOM 0 H ASP B 55 -15.491 9.000 -5.751 1.00 0.43 H new ATOM 0 HA ASP B 55 -15.608 6.598 -7.223 1.00 0.47 H new ATOM 0 HB2 ASP B 55 -17.128 8.461 -7.570 1.00 0.54 H new ATOM 0 HB3 ASP B 55 -15.801 9.524 -7.994 1.00 0.54 H new ATOM 2420 N GLU B 56 -13.180 8.689 -7.967 1.00 0.51 N ATOM 2421 CA GLU B 56 -11.846 8.805 -8.526 1.00 0.53 C ATOM 2422 C GLU B 56 -10.937 7.670 -8.048 1.00 0.47 C ATOM 2423 O GLU B 56 -10.249 7.029 -8.849 1.00 0.49 O ATOM 2424 CB GLU B 56 -11.265 10.153 -8.123 1.00 0.58 C ATOM 2425 CG GLU B 56 -11.761 11.313 -8.969 1.00 0.69 C ATOM 2426 CD GLU B 56 -11.483 11.115 -10.442 1.00 1.06 C ATOM 2427 OE1 GLU B 56 -10.312 11.240 -10.852 1.00 1.66 O ATOM 2428 OE2 GLU B 56 -12.436 10.846 -11.202 1.00 1.77 O ATOM 0 H GLU B 56 -13.540 9.558 -7.573 1.00 0.51 H new ATOM 0 HA GLU B 56 -11.909 8.733 -9.612 1.00 0.53 H new ATOM 0 HB2 GLU B 56 -11.511 10.346 -7.079 1.00 0.58 H new ATOM 0 HB3 GLU B 56 -10.178 10.105 -8.191 1.00 0.58 H new ATOM 0 HG2 GLU B 56 -12.833 11.436 -8.818 1.00 0.69 H new ATOM 0 HG3 GLU B 56 -11.284 12.234 -8.633 1.00 0.69 H new ATOM 2435 N ILE B 57 -10.949 7.418 -6.746 1.00 0.42 N ATOM 2436 CA ILE B 57 -10.160 6.345 -6.165 1.00 0.39 C ATOM 2437 C ILE B 57 -10.645 4.987 -6.653 1.00 0.36 C ATOM 2438 O ILE B 57 -9.892 4.241 -7.268 1.00 0.37 O ATOM 2439 CB ILE B 57 -10.238 6.387 -4.625 1.00 0.40 C ATOM 2440 CG1 ILE B 57 -9.228 7.379 -4.030 1.00 0.48 C ATOM 2441 CG2 ILE B 57 -10.012 5.009 -4.029 1.00 0.59 C ATOM 2442 CD1 ILE B 57 -9.369 8.805 -4.516 1.00 1.00 C ATOM 0 H ILE B 57 -11.501 7.947 -6.070 1.00 0.42 H new ATOM 0 HA ILE B 57 -9.126 6.488 -6.480 1.00 0.39 H new ATOM 0 HB ILE B 57 -11.242 6.725 -4.369 1.00 0.40 H new ATOM 0 HG12 ILE B 57 -9.329 7.369 -2.945 1.00 0.48 H new ATOM 0 HG13 ILE B 57 -8.221 7.031 -4.260 1.00 0.48 H new ATOM 0 HG21 ILE B 57 -10.072 5.068 -2.942 1.00 0.59 H new ATOM 0 HG22 ILE B 57 -10.775 4.323 -4.398 1.00 0.59 H new ATOM 0 HG23 ILE B 57 -9.026 4.645 -4.318 1.00 0.59 H new ATOM 0 HD11 ILE B 57 -8.612 9.428 -4.039 1.00 1.00 H new ATOM 0 HD12 ILE B 57 -9.236 8.836 -5.597 1.00 1.00 H new ATOM 0 HD13 ILE B 57 -10.361 9.180 -4.262 1.00 1.00 H new ATOM 2454 N PHE B 58 -11.914 4.685 -6.391 1.00 0.35 N ATOM 2455 CA PHE B 58 -12.461 3.365 -6.662 1.00 0.36 C ATOM 2456 C PHE B 58 -12.341 3.031 -8.138 1.00 0.41 C ATOM 2457 O PHE B 58 -11.935 1.934 -8.508 1.00 0.44 O ATOM 2458 CB PHE B 58 -13.926 3.292 -6.229 1.00 0.38 C ATOM 2459 CG PHE B 58 -14.485 1.897 -6.234 1.00 0.52 C ATOM 2460 CD1 PHE B 58 -14.882 1.295 -7.415 1.00 1.52 C ATOM 2461 CD2 PHE B 58 -14.605 1.186 -5.055 1.00 1.11 C ATOM 2462 CE1 PHE B 58 -15.388 0.013 -7.416 1.00 1.67 C ATOM 2463 CE2 PHE B 58 -15.110 -0.097 -5.051 1.00 1.16 C ATOM 2464 CZ PHE B 58 -15.502 -0.684 -6.233 1.00 0.93 C ATOM 0 H PHE B 58 -12.583 5.342 -5.989 1.00 0.35 H new ATOM 0 HA PHE B 58 -11.888 2.636 -6.089 1.00 0.36 H new ATOM 0 HB2 PHE B 58 -14.021 3.709 -5.227 1.00 0.38 H new ATOM 0 HB3 PHE B 58 -14.524 3.917 -6.892 1.00 0.38 H new ATOM 0 HD1 PHE B 58 -14.794 1.835 -8.346 1.00 1.52 H new ATOM 0 HD2 PHE B 58 -14.299 1.641 -4.125 1.00 1.11 H new ATOM 0 HE1 PHE B 58 -15.695 -0.445 -8.344 1.00 1.67 H new ATOM 0 HE2 PHE B 58 -15.198 -0.641 -4.122 1.00 1.16 H new ATOM 0 HZ PHE B 58 -15.898 -1.689 -6.233 1.00 0.93 H new ATOM 2474 N GLN B 59 -12.686 3.998 -8.965 1.00 0.45 N ATOM 2475 CA GLN B 59 -12.611 3.858 -10.407 1.00 0.52 C ATOM 2476 C GLN B 59 -11.159 3.694 -10.846 1.00 0.52 C ATOM 2477 O GLN B 59 -10.875 3.101 -11.888 1.00 0.57 O ATOM 2478 CB GLN B 59 -13.232 5.088 -11.080 1.00 0.58 C ATOM 2479 CG GLN B 59 -14.729 5.264 -10.829 1.00 0.61 C ATOM 2480 CD GLN B 59 -15.557 4.104 -11.347 1.00 1.10 C ATOM 2481 OE1 GLN B 59 -16.006 4.107 -12.497 1.00 1.91 O ATOM 2482 NE2 GLN B 59 -15.770 3.105 -10.507 1.00 1.63 N ATOM 0 H GLN B 59 -13.028 4.908 -8.655 1.00 0.45 H new ATOM 0 HA GLN B 59 -13.167 2.970 -10.707 1.00 0.52 H new ATOM 0 HB2 GLN B 59 -12.711 5.979 -10.730 1.00 0.58 H new ATOM 0 HB3 GLN B 59 -13.063 5.022 -12.155 1.00 0.58 H new ATOM 0 HG2 GLN B 59 -14.902 5.377 -9.759 1.00 0.61 H new ATOM 0 HG3 GLN B 59 -15.066 6.185 -11.305 1.00 0.61 H new ATOM 0 HE21 GLN B 59 -15.382 3.140 -9.564 1.00 1.63 H new ATOM 0 HE22 GLN B 59 -16.322 2.300 -10.802 1.00 1.63 H new ATOM 2491 N GLY B 60 -10.241 4.227 -10.041 1.00 0.48 N ATOM 2492 CA GLY B 60 -8.826 4.082 -10.324 1.00 0.49 C ATOM 2493 C GLY B 60 -8.312 2.695 -9.982 1.00 0.47 C ATOM 2494 O GLY B 60 -7.338 2.223 -10.573 1.00 0.53 O ATOM 0 H GLY B 60 -10.455 4.757 -9.197 1.00 0.48 H new ATOM 0 HA2 GLY B 60 -8.646 4.284 -11.380 1.00 0.49 H new ATOM 0 HA3 GLY B 60 -8.266 4.825 -9.757 1.00 0.49 H new ATOM 2498 N LEU B 61 -8.968 2.037 -9.032 1.00 0.42 N ATOM 2499 CA LEU B 61 -8.585 0.691 -8.633 1.00 0.44 C ATOM 2500 C LEU B 61 -9.293 -0.305 -9.523 1.00 0.51 C ATOM 2501 O LEU B 61 -8.687 -1.236 -10.051 1.00 0.59 O ATOM 2502 CB LEU B 61 -8.961 0.415 -7.168 1.00 0.39 C ATOM 2503 CG LEU B 61 -9.028 1.642 -6.263 1.00 0.34 C ATOM 2504 CD1 LEU B 61 -9.615 1.264 -4.915 1.00 0.31 C ATOM 2505 CD2 LEU B 61 -7.650 2.272 -6.094 1.00 0.35 C ATOM 0 H LEU B 61 -9.768 2.416 -8.525 1.00 0.42 H new ATOM 0 HA LEU B 61 -7.504 0.595 -8.733 1.00 0.44 H new ATOM 0 HB2 LEU B 61 -9.931 -0.083 -7.148 1.00 0.39 H new ATOM 0 HB3 LEU B 61 -8.236 -0.283 -6.751 1.00 0.39 H new ATOM 0 HG LEU B 61 -9.677 2.382 -6.732 1.00 0.34 H new ATOM 0 HD11 LEU B 61 -9.658 2.146 -4.277 1.00 0.31 H new ATOM 0 HD12 LEU B 61 -10.621 0.867 -5.054 1.00 0.31 H new ATOM 0 HD13 LEU B 61 -8.988 0.507 -4.445 1.00 0.31 H new ATOM 0 HD21 LEU B 61 -7.726 3.144 -5.445 1.00 0.35 H new ATOM 0 HD22 LEU B 61 -6.970 1.546 -5.648 1.00 0.35 H new ATOM 0 HD23 LEU B 61 -7.267 2.577 -7.068 1.00 0.35 H new ATOM 2517 N ASP B 62 -10.588 -0.072 -9.693 1.00 0.51 N ATOM 2518 CA ASP B 62 -11.445 -0.940 -10.482 1.00 0.59 C ATOM 2519 C ASP B 62 -11.160 -0.765 -11.969 1.00 0.70 C ATOM 2520 O ASP B 62 -11.930 -0.149 -12.705 1.00 0.75 O ATOM 2521 CB ASP B 62 -12.915 -0.642 -10.178 1.00 0.57 C ATOM 2522 CG ASP B 62 -13.868 -1.556 -10.925 1.00 0.64 C ATOM 2523 OD1 ASP B 62 -13.698 -2.794 -10.863 1.00 1.40 O ATOM 2524 OD2 ASP B 62 -14.798 -1.039 -11.569 1.00 1.11 O ATOM 0 H ASP B 62 -11.073 0.727 -9.285 1.00 0.51 H new ATOM 0 HA ASP B 62 -11.235 -1.976 -10.215 1.00 0.59 H new ATOM 0 HB2 ASP B 62 -13.087 -0.743 -9.106 1.00 0.57 H new ATOM 0 HB3 ASP B 62 -13.132 0.394 -10.439 1.00 0.57 H new ATOM 2529 N ALA B 63 -10.035 -1.309 -12.392 1.00 0.78 N ATOM 2530 CA ALA B 63 -9.611 -1.239 -13.782 1.00 0.94 C ATOM 2531 C ALA B 63 -10.502 -2.106 -14.660 1.00 1.12 C ATOM 2532 O ALA B 63 -10.594 -1.903 -15.870 1.00 1.31 O ATOM 2533 CB ALA B 63 -8.158 -1.668 -13.907 1.00 1.00 C ATOM 0 H ALA B 63 -9.388 -1.812 -11.785 1.00 0.78 H new ATOM 0 HA ALA B 63 -9.702 -0.207 -14.122 1.00 0.94 H new ATOM 0 HB1 ALA B 63 -7.851 -1.612 -14.951 1.00 1.00 H new ATOM 0 HB2 ALA B 63 -7.531 -1.008 -13.308 1.00 1.00 H new ATOM 0 HB3 ALA B 63 -8.049 -2.693 -13.551 1.00 1.00 H new ATOM 2539 N ASN B 64 -11.163 -3.070 -14.034 1.00 1.10 N ATOM 2540 CA ASN B 64 -12.088 -3.951 -14.733 1.00 1.28 C ATOM 2541 C ASN B 64 -13.369 -3.200 -15.087 1.00 1.22 C ATOM 2542 O ASN B 64 -14.120 -3.599 -15.977 1.00 1.37 O ATOM 2543 CB ASN B 64 -12.404 -5.167 -13.860 1.00 1.34 C ATOM 2544 CG ASN B 64 -13.332 -6.167 -14.523 1.00 2.04 C ATOM 2545 OD1 ASN B 64 -13.319 -6.348 -15.741 1.00 2.56 O ATOM 2546 ND2 ASN B 64 -14.150 -6.825 -13.718 1.00 2.80 N ATOM 0 H ASN B 64 -11.075 -3.262 -13.036 1.00 1.10 H new ATOM 0 HA ASN B 64 -11.624 -4.293 -15.658 1.00 1.28 H new ATOM 0 HB2 ASN B 64 -11.472 -5.668 -13.598 1.00 1.34 H new ATOM 0 HB3 ASN B 64 -12.856 -4.827 -12.928 1.00 1.34 H new ATOM 0 HD21 ASN B 64 -14.800 -7.511 -14.101 1.00 2.80 H new ATOM 0 HD22 ASN B 64 -14.130 -6.647 -12.714 1.00 2.80 H new ATOM 2553 N GLN B 65 -13.589 -2.093 -14.374 1.00 1.04 N ATOM 2554 CA GLN B 65 -14.718 -1.196 -14.610 1.00 1.06 C ATOM 2555 C GLN B 65 -16.054 -1.898 -14.395 1.00 1.04 C ATOM 2556 O GLN B 65 -17.022 -1.645 -15.112 1.00 1.17 O ATOM 2557 CB GLN B 65 -14.651 -0.589 -16.016 1.00 1.32 C ATOM 2558 CG GLN B 65 -13.475 0.355 -16.213 1.00 1.38 C ATOM 2559 CD GLN B 65 -13.488 1.514 -15.233 1.00 2.03 C ATOM 2560 OE1 GLN B 65 -14.547 1.960 -14.789 1.00 2.72 O ATOM 2561 NE2 GLN B 65 -12.314 2.008 -14.888 1.00 2.58 N ATOM 0 H GLN B 65 -12.982 -1.793 -13.611 1.00 1.04 H new ATOM 0 HA GLN B 65 -14.647 -0.390 -13.880 1.00 1.06 H new ATOM 0 HB2 GLN B 65 -14.587 -1.394 -16.748 1.00 1.32 H new ATOM 0 HB3 GLN B 65 -15.577 -0.050 -16.215 1.00 1.32 H new ATOM 0 HG2 GLN B 65 -12.544 -0.201 -16.100 1.00 1.38 H new ATOM 0 HG3 GLN B 65 -13.493 0.744 -17.231 1.00 1.38 H new ATOM 0 HE21 GLN B 65 -11.459 1.611 -15.278 1.00 2.58 H new ATOM 0 HE22 GLN B 65 -12.261 2.787 -14.232 1.00 2.58 H new ATOM 2570 N ASP B 66 -16.107 -2.757 -13.387 1.00 0.93 N ATOM 2571 CA ASP B 66 -17.328 -3.496 -13.084 1.00 0.95 C ATOM 2572 C ASP B 66 -17.831 -3.132 -11.689 1.00 0.81 C ATOM 2573 O ASP B 66 -18.773 -3.738 -11.167 1.00 0.82 O ATOM 2574 CB ASP B 66 -17.086 -5.004 -13.195 1.00 1.06 C ATOM 2575 CG ASP B 66 -18.379 -5.793 -13.283 1.00 1.43 C ATOM 2576 OD1 ASP B 66 -19.068 -5.698 -14.320 1.00 1.88 O ATOM 2577 OD2 ASP B 66 -18.710 -6.524 -12.327 1.00 2.14 O ATOM 0 H ASP B 66 -15.323 -2.960 -12.767 1.00 0.93 H new ATOM 0 HA ASP B 66 -18.092 -3.221 -13.811 1.00 0.95 H new ATOM 0 HB2 ASP B 66 -16.479 -5.208 -14.077 1.00 1.06 H new ATOM 0 HB3 ASP B 66 -16.515 -5.342 -12.330 1.00 1.06 H new ATOM 2582 N GLU B 67 -17.182 -2.128 -11.099 1.00 0.73 N ATOM 2583 CA GLU B 67 -17.559 -1.583 -9.798 1.00 0.63 C ATOM 2584 C GLU B 67 -17.292 -2.599 -8.684 1.00 0.58 C ATOM 2585 O GLU B 67 -18.131 -2.802 -7.804 1.00 0.61 O ATOM 2586 CB GLU B 67 -19.035 -1.158 -9.789 1.00 0.68 C ATOM 2587 CG GLU B 67 -19.368 -0.095 -8.751 1.00 0.97 C ATOM 2588 CD GLU B 67 -18.977 1.298 -9.193 1.00 1.42 C ATOM 2589 OE1 GLU B 67 -19.747 1.920 -9.954 1.00 2.01 O ATOM 2590 OE2 GLU B 67 -17.921 1.792 -8.756 1.00 2.00 O ATOM 0 H GLU B 67 -16.373 -1.667 -11.516 1.00 0.73 H new ATOM 0 HA GLU B 67 -16.946 -0.701 -9.615 1.00 0.63 H new ATOM 0 HB2 GLU B 67 -19.300 -0.782 -10.777 1.00 0.68 H new ATOM 0 HB3 GLU B 67 -19.654 -2.036 -9.606 1.00 0.68 H new ATOM 0 HG2 GLU B 67 -20.438 -0.119 -8.544 1.00 0.97 H new ATOM 0 HG3 GLU B 67 -18.857 -0.332 -7.818 1.00 0.97 H new ATOM 2597 N GLN B 68 -16.132 -3.251 -8.728 1.00 0.62 N ATOM 2598 CA GLN B 68 -15.762 -4.208 -7.686 1.00 0.66 C ATOM 2599 C GLN B 68 -14.301 -4.033 -7.283 1.00 0.66 C ATOM 2600 O GLN B 68 -13.396 -4.198 -8.103 1.00 0.78 O ATOM 2601 CB GLN B 68 -15.978 -5.655 -8.144 1.00 0.86 C ATOM 2602 CG GLN B 68 -17.363 -5.948 -8.693 1.00 1.38 C ATOM 2603 CD GLN B 68 -17.600 -7.430 -8.904 1.00 1.64 C ATOM 2604 OE1 GLN B 68 -17.092 -8.267 -8.158 1.00 2.16 O ATOM 2605 NE2 GLN B 68 -18.340 -7.771 -9.943 1.00 2.07 N ATOM 0 H GLN B 68 -15.438 -3.136 -9.466 1.00 0.62 H new ATOM 0 HA GLN B 68 -16.407 -4.008 -6.831 1.00 0.66 H new ATOM 0 HB2 GLN B 68 -15.241 -5.893 -8.911 1.00 0.86 H new ATOM 0 HB3 GLN B 68 -15.788 -6.320 -7.302 1.00 0.86 H new ATOM 0 HG2 GLN B 68 -18.113 -5.557 -8.006 1.00 1.38 H new ATOM 0 HG3 GLN B 68 -17.494 -5.424 -9.640 1.00 1.38 H new ATOM 0 HE21 GLN B 68 -18.745 -7.049 -10.539 1.00 2.07 H new ATOM 0 HE22 GLN B 68 -18.507 -8.756 -10.149 1.00 2.07 H new ATOM 2614 N VAL B 69 -14.079 -3.693 -6.024 1.00 0.59 N ATOM 2615 CA VAL B 69 -12.733 -3.583 -5.484 1.00 0.64 C ATOM 2616 C VAL B 69 -12.274 -4.912 -4.862 1.00 0.64 C ATOM 2617 O VAL B 69 -12.788 -5.346 -3.836 1.00 0.68 O ATOM 2618 CB VAL B 69 -12.649 -2.438 -4.438 1.00 0.72 C ATOM 2619 CG1 VAL B 69 -13.681 -2.615 -3.332 1.00 1.81 C ATOM 2620 CG2 VAL B 69 -11.253 -2.336 -3.845 1.00 1.22 C ATOM 0 H VAL B 69 -14.819 -3.487 -5.353 1.00 0.59 H new ATOM 0 HA VAL B 69 -12.063 -3.346 -6.311 1.00 0.64 H new ATOM 0 HB VAL B 69 -12.870 -1.508 -4.962 1.00 0.72 H new ATOM 0 HG11 VAL B 69 -13.593 -1.796 -2.618 1.00 1.81 H new ATOM 0 HG12 VAL B 69 -14.682 -2.614 -3.764 1.00 1.81 H new ATOM 0 HG13 VAL B 69 -13.508 -3.562 -2.821 1.00 1.81 H new ATOM 0 HG21 VAL B 69 -11.226 -1.526 -3.116 1.00 1.22 H new ATOM 0 HG22 VAL B 69 -10.997 -3.275 -3.354 1.00 1.22 H new ATOM 0 HG23 VAL B 69 -10.534 -2.134 -4.639 1.00 1.22 H new ATOM 2630 N ASP B 70 -11.335 -5.586 -5.514 1.00 0.67 N ATOM 2631 CA ASP B 70 -10.716 -6.770 -4.922 1.00 0.73 C ATOM 2632 C ASP B 70 -9.618 -6.351 -3.961 1.00 0.64 C ATOM 2633 O ASP B 70 -9.345 -5.161 -3.819 1.00 0.56 O ATOM 2634 CB ASP B 70 -10.111 -7.695 -5.981 1.00 0.84 C ATOM 2635 CG ASP B 70 -11.123 -8.605 -6.647 1.00 1.38 C ATOM 2636 OD1 ASP B 70 -11.491 -9.633 -6.044 1.00 2.02 O ATOM 2637 OD2 ASP B 70 -11.535 -8.316 -7.788 1.00 1.98 O ATOM 0 H ASP B 70 -10.987 -5.339 -6.441 1.00 0.67 H new ATOM 0 HA ASP B 70 -11.501 -7.315 -4.398 1.00 0.73 H new ATOM 0 HB2 ASP B 70 -9.624 -7.088 -6.744 1.00 0.84 H new ATOM 0 HB3 ASP B 70 -9.337 -8.306 -5.517 1.00 0.84 H new ATOM 2642 N PHE B 71 -8.965 -7.315 -3.323 1.00 0.70 N ATOM 2643 CA PHE B 71 -7.832 -7.001 -2.460 1.00 0.67 C ATOM 2644 C PHE B 71 -6.730 -6.319 -3.259 1.00 0.56 C ATOM 2645 O PHE B 71 -6.013 -5.474 -2.741 1.00 0.48 O ATOM 2646 CB PHE B 71 -7.279 -8.253 -1.777 1.00 0.83 C ATOM 2647 CG PHE B 71 -8.150 -8.776 -0.667 1.00 1.12 C ATOM 2648 CD1 PHE B 71 -8.111 -8.193 0.589 1.00 1.50 C ATOM 2649 CD2 PHE B 71 -9.003 -9.845 -0.877 1.00 1.93 C ATOM 2650 CE1 PHE B 71 -8.907 -8.667 1.613 1.00 1.76 C ATOM 2651 CE2 PHE B 71 -9.802 -10.324 0.143 1.00 2.18 C ATOM 2652 CZ PHE B 71 -9.754 -9.734 1.390 1.00 1.77 C ATOM 0 H PHE B 71 -9.196 -8.307 -3.385 1.00 0.70 H new ATOM 0 HA PHE B 71 -8.189 -6.323 -1.685 1.00 0.67 H new ATOM 0 HB2 PHE B 71 -7.150 -9.036 -2.524 1.00 0.83 H new ATOM 0 HB3 PHE B 71 -6.290 -8.030 -1.376 1.00 0.83 H new ATOM 0 HD1 PHE B 71 -7.450 -7.358 0.769 1.00 1.50 H new ATOM 0 HD2 PHE B 71 -9.045 -10.311 -1.851 1.00 1.93 H new ATOM 0 HE1 PHE B 71 -8.867 -8.203 2.588 1.00 1.76 H new ATOM 0 HE2 PHE B 71 -10.463 -11.159 -0.035 1.00 2.18 H new ATOM 0 HZ PHE B 71 -10.378 -10.106 2.189 1.00 1.77 H new ATOM 2662 N GLN B 72 -6.607 -6.688 -4.527 1.00 0.60 N ATOM 2663 CA GLN B 72 -5.624 -6.078 -5.413 1.00 0.57 C ATOM 2664 C GLN B 72 -6.006 -4.634 -5.743 1.00 0.50 C ATOM 2665 O GLN B 72 -5.159 -3.740 -5.749 1.00 0.47 O ATOM 2666 CB GLN B 72 -5.489 -6.890 -6.697 1.00 0.70 C ATOM 2667 CG GLN B 72 -4.454 -6.330 -7.649 1.00 0.75 C ATOM 2668 CD GLN B 72 -4.375 -7.099 -8.951 1.00 1.09 C ATOM 2669 OE1 GLN B 72 -5.068 -6.782 -9.916 1.00 1.67 O ATOM 2670 NE2 GLN B 72 -3.522 -8.108 -8.994 1.00 1.66 N ATOM 0 H GLN B 72 -7.178 -7.410 -4.967 1.00 0.60 H new ATOM 0 HA GLN B 72 -4.664 -6.070 -4.897 1.00 0.57 H new ATOM 0 HB2 GLN B 72 -5.223 -7.916 -6.444 1.00 0.70 H new ATOM 0 HB3 GLN B 72 -6.455 -6.926 -7.200 1.00 0.70 H new ATOM 0 HG2 GLN B 72 -4.690 -5.287 -7.862 1.00 0.75 H new ATOM 0 HG3 GLN B 72 -3.477 -6.343 -7.165 1.00 0.75 H new ATOM 0 HE21 GLN B 72 -2.965 -8.340 -8.172 1.00 1.66 H new ATOM 0 HE22 GLN B 72 -3.421 -8.655 -9.849 1.00 1.66 H new ATOM 2679 N GLU B 73 -7.282 -4.411 -6.017 1.00 0.50 N ATOM 2680 CA GLU B 73 -7.784 -3.065 -6.247 1.00 0.47 C ATOM 2681 C GLU B 73 -7.622 -2.239 -4.981 1.00 0.36 C ATOM 2682 O GLU B 73 -7.217 -1.080 -5.022 1.00 0.33 O ATOM 2683 CB GLU B 73 -9.256 -3.093 -6.671 1.00 0.56 C ATOM 2684 CG GLU B 73 -9.487 -3.424 -8.137 1.00 0.78 C ATOM 2685 CD GLU B 73 -8.814 -4.699 -8.583 1.00 1.16 C ATOM 2686 OE1 GLU B 73 -9.224 -5.779 -8.122 1.00 1.99 O ATOM 2687 OE2 GLU B 73 -7.885 -4.627 -9.408 1.00 1.82 O ATOM 0 H GLU B 73 -7.988 -5.144 -6.086 1.00 0.50 H new ATOM 0 HA GLU B 73 -7.208 -2.613 -7.054 1.00 0.47 H new ATOM 0 HB2 GLU B 73 -9.783 -3.826 -6.059 1.00 0.56 H new ATOM 0 HB3 GLU B 73 -9.700 -2.121 -6.457 1.00 0.56 H new ATOM 0 HG2 GLU B 73 -10.559 -3.507 -8.317 1.00 0.78 H new ATOM 0 HG3 GLU B 73 -9.124 -2.598 -8.749 1.00 0.78 H new ATOM 2694 N PHE B 74 -7.920 -2.862 -3.851 1.00 0.37 N ATOM 2695 CA PHE B 74 -7.765 -2.222 -2.558 1.00 0.34 C ATOM 2696 C PHE B 74 -6.291 -1.949 -2.279 1.00 0.32 C ATOM 2697 O PHE B 74 -5.940 -0.992 -1.592 1.00 0.34 O ATOM 2698 CB PHE B 74 -8.381 -3.103 -1.465 1.00 0.43 C ATOM 2699 CG PHE B 74 -8.314 -2.511 -0.085 1.00 0.78 C ATOM 2700 CD1 PHE B 74 -9.100 -1.420 0.251 1.00 1.32 C ATOM 2701 CD2 PHE B 74 -7.474 -3.049 0.877 1.00 1.44 C ATOM 2702 CE1 PHE B 74 -9.049 -0.876 1.519 1.00 1.77 C ATOM 2703 CE2 PHE B 74 -7.420 -2.508 2.147 1.00 1.92 C ATOM 2704 CZ PHE B 74 -8.208 -1.421 2.469 1.00 1.90 C ATOM 0 H PHE B 74 -8.273 -3.818 -3.806 1.00 0.37 H new ATOM 0 HA PHE B 74 -8.288 -1.266 -2.564 1.00 0.34 H new ATOM 0 HB2 PHE B 74 -9.424 -3.296 -1.715 1.00 0.43 H new ATOM 0 HB3 PHE B 74 -7.871 -4.066 -1.460 1.00 0.43 H new ATOM 0 HD1 PHE B 74 -9.760 -0.990 -0.488 1.00 1.32 H new ATOM 0 HD2 PHE B 74 -6.855 -3.900 0.631 1.00 1.44 H new ATOM 0 HE1 PHE B 74 -9.666 -0.025 1.768 1.00 1.77 H new ATOM 0 HE2 PHE B 74 -6.761 -2.936 2.888 1.00 1.92 H new ATOM 0 HZ PHE B 74 -8.167 -0.998 3.462 1.00 1.90 H new ATOM 2714 N ILE B 75 -5.439 -2.785 -2.851 1.00 0.33 N ATOM 2715 CA ILE B 75 -4.002 -2.621 -2.765 1.00 0.36 C ATOM 2716 C ILE B 75 -3.597 -1.347 -3.484 1.00 0.34 C ATOM 2717 O ILE B 75 -2.739 -0.591 -3.023 1.00 0.36 O ATOM 2718 CB ILE B 75 -3.298 -3.849 -3.385 1.00 0.41 C ATOM 2719 CG1 ILE B 75 -2.943 -4.851 -2.305 1.00 0.49 C ATOM 2720 CG2 ILE B 75 -2.069 -3.463 -4.184 1.00 0.46 C ATOM 2721 CD1 ILE B 75 -2.646 -6.216 -2.855 1.00 0.67 C ATOM 0 H ILE B 75 -5.730 -3.600 -3.391 1.00 0.33 H new ATOM 0 HA ILE B 75 -3.701 -2.544 -1.720 1.00 0.36 H new ATOM 0 HB ILE B 75 -3.998 -4.310 -4.082 1.00 0.41 H new ATOM 0 HG12 ILE B 75 -2.076 -4.490 -1.752 1.00 0.49 H new ATOM 0 HG13 ILE B 75 -3.767 -4.921 -1.595 1.00 0.49 H new ATOM 0 HG21 ILE B 75 -1.609 -4.359 -4.600 1.00 0.46 H new ATOM 0 HG22 ILE B 75 -2.357 -2.794 -4.995 1.00 0.46 H new ATOM 0 HG23 ILE B 75 -1.356 -2.958 -3.533 1.00 0.46 H new ATOM 0 HD11 ILE B 75 -2.398 -6.892 -2.037 1.00 0.67 H new ATOM 0 HD12 ILE B 75 -3.521 -6.593 -3.385 1.00 0.67 H new ATOM 0 HD13 ILE B 75 -1.803 -6.155 -3.543 1.00 0.67 H new ATOM 2733 N SER B 76 -4.257 -1.109 -4.604 1.00 0.34 N ATOM 2734 CA SER B 76 -4.047 0.097 -5.369 1.00 0.36 C ATOM 2735 C SER B 76 -4.475 1.308 -4.546 1.00 0.31 C ATOM 2736 O SER B 76 -3.792 2.322 -4.530 1.00 0.33 O ATOM 2737 CB SER B 76 -4.830 0.019 -6.679 1.00 0.45 C ATOM 2738 OG SER B 76 -4.480 -1.148 -7.409 1.00 0.74 O ATOM 0 H SER B 76 -4.948 -1.745 -5.003 1.00 0.34 H new ATOM 0 HA SER B 76 -2.989 0.201 -5.608 1.00 0.36 H new ATOM 0 HB2 SER B 76 -5.899 0.014 -6.469 1.00 0.45 H new ATOM 0 HB3 SER B 76 -4.628 0.904 -7.282 1.00 0.45 H new ATOM 0 HG SER B 76 -4.824 -1.940 -6.945 1.00 0.74 H new ATOM 2744 N LEU B 77 -5.587 1.175 -3.832 1.00 0.28 N ATOM 2745 CA LEU B 77 -6.085 2.247 -2.971 1.00 0.26 C ATOM 2746 C LEU B 77 -5.028 2.641 -1.954 1.00 0.23 C ATOM 2747 O LEU B 77 -4.765 3.823 -1.753 1.00 0.23 O ATOM 2748 CB LEU B 77 -7.388 1.801 -2.275 1.00 0.30 C ATOM 2749 CG LEU B 77 -7.966 2.728 -1.185 1.00 0.38 C ATOM 2750 CD1 LEU B 77 -7.322 2.454 0.170 1.00 1.11 C ATOM 2751 CD2 LEU B 77 -7.804 4.194 -1.563 1.00 1.14 C ATOM 0 H LEU B 77 -6.164 0.334 -3.831 1.00 0.28 H new ATOM 0 HA LEU B 77 -6.306 3.123 -3.582 1.00 0.26 H new ATOM 0 HB2 LEU B 77 -8.151 1.668 -3.042 1.00 0.30 H new ATOM 0 HB3 LEU B 77 -7.212 0.823 -1.827 1.00 0.30 H new ATOM 0 HG LEU B 77 -9.032 2.513 -1.107 1.00 0.38 H new ATOM 0 HD11 LEU B 77 -7.749 3.122 0.918 1.00 1.11 H new ATOM 0 HD12 LEU B 77 -7.508 1.420 0.459 1.00 1.11 H new ATOM 0 HD13 LEU B 77 -6.247 2.624 0.103 1.00 1.11 H new ATOM 0 HD21 LEU B 77 -8.221 4.821 -0.775 1.00 1.14 H new ATOM 0 HD22 LEU B 77 -6.746 4.423 -1.687 1.00 1.14 H new ATOM 0 HD23 LEU B 77 -8.329 4.389 -2.498 1.00 1.14 H new ATOM 2763 N VAL B 78 -4.413 1.653 -1.328 1.00 0.24 N ATOM 2764 CA VAL B 78 -3.402 1.918 -0.319 1.00 0.25 C ATOM 2765 C VAL B 78 -2.226 2.643 -0.945 1.00 0.27 C ATOM 2766 O VAL B 78 -1.605 3.479 -0.317 1.00 0.28 O ATOM 2767 CB VAL B 78 -2.907 0.628 0.347 1.00 0.29 C ATOM 2768 CG1 VAL B 78 -1.995 0.951 1.519 1.00 0.33 C ATOM 2769 CG2 VAL B 78 -4.088 -0.219 0.792 1.00 0.31 C ATOM 0 H VAL B 78 -4.595 0.664 -1.499 1.00 0.24 H new ATOM 0 HA VAL B 78 -3.861 2.540 0.449 1.00 0.25 H new ATOM 0 HB VAL B 78 -2.331 0.055 -0.380 1.00 0.29 H new ATOM 0 HG11 VAL B 78 -1.653 0.024 1.980 1.00 0.33 H new ATOM 0 HG12 VAL B 78 -1.135 1.519 1.165 1.00 0.33 H new ATOM 0 HG13 VAL B 78 -2.542 1.541 2.254 1.00 0.33 H new ATOM 0 HG21 VAL B 78 -3.724 -1.132 1.263 1.00 0.31 H new ATOM 0 HG22 VAL B 78 -4.690 0.343 1.506 1.00 0.31 H new ATOM 0 HG23 VAL B 78 -4.698 -0.476 -0.074 1.00 0.31 H new ATOM 2779 N ALA B 79 -1.948 2.326 -2.197 1.00 0.31 N ATOM 2780 CA ALA B 79 -0.904 2.999 -2.946 1.00 0.36 C ATOM 2781 C ALA B 79 -1.238 4.483 -3.097 1.00 0.33 C ATOM 2782 O ALA B 79 -0.405 5.355 -2.843 1.00 0.34 O ATOM 2783 CB ALA B 79 -0.754 2.339 -4.307 1.00 0.43 C ATOM 0 H ALA B 79 -2.437 1.599 -2.720 1.00 0.31 H new ATOM 0 HA ALA B 79 0.041 2.917 -2.408 1.00 0.36 H new ATOM 0 HB1 ALA B 79 0.030 2.843 -4.872 1.00 0.43 H new ATOM 0 HB2 ALA B 79 -0.489 1.290 -4.175 1.00 0.43 H new ATOM 0 HB3 ALA B 79 -1.696 2.410 -4.851 1.00 0.43 H new ATOM 2789 N ILE B 80 -2.476 4.750 -3.502 1.00 0.32 N ATOM 2790 CA ILE B 80 -2.993 6.113 -3.616 1.00 0.32 C ATOM 2791 C ILE B 80 -2.928 6.819 -2.263 1.00 0.28 C ATOM 2792 O ILE B 80 -2.515 7.976 -2.161 1.00 0.31 O ATOM 2793 CB ILE B 80 -4.467 6.111 -4.121 1.00 0.34 C ATOM 2794 CG1 ILE B 80 -4.551 5.933 -5.644 1.00 0.38 C ATOM 2795 CG2 ILE B 80 -5.193 7.386 -3.712 1.00 0.36 C ATOM 2796 CD1 ILE B 80 -3.953 4.645 -6.163 1.00 0.40 C ATOM 0 H ILE B 80 -3.150 4.029 -3.761 1.00 0.32 H new ATOM 0 HA ILE B 80 -2.373 6.645 -4.338 1.00 0.32 H new ATOM 0 HB ILE B 80 -4.956 5.258 -3.650 1.00 0.34 H new ATOM 0 HG12 ILE B 80 -5.598 5.979 -5.944 1.00 0.38 H new ATOM 0 HG13 ILE B 80 -4.045 6.771 -6.123 1.00 0.38 H new ATOM 0 HG21 ILE B 80 -6.219 7.354 -4.079 1.00 0.36 H new ATOM 0 HG22 ILE B 80 -5.199 7.469 -2.625 1.00 0.36 H new ATOM 0 HG23 ILE B 80 -4.681 8.249 -4.139 1.00 0.36 H new ATOM 0 HD11 ILE B 80 -4.058 4.606 -7.247 1.00 0.40 H new ATOM 0 HD12 ILE B 80 -2.896 4.602 -5.899 1.00 0.40 H new ATOM 0 HD13 ILE B 80 -4.473 3.797 -5.718 1.00 0.40 H new ATOM 2808 N ALA B 81 -3.327 6.097 -1.232 1.00 0.23 N ATOM 2809 CA ALA B 81 -3.433 6.643 0.105 1.00 0.23 C ATOM 2810 C ALA B 81 -2.061 6.851 0.747 1.00 0.23 C ATOM 2811 O ALA B 81 -1.883 7.749 1.566 1.00 0.28 O ATOM 2812 CB ALA B 81 -4.307 5.733 0.946 1.00 0.24 C ATOM 0 H ALA B 81 -3.587 5.113 -1.300 1.00 0.23 H new ATOM 0 HA ALA B 81 -3.895 7.629 0.045 1.00 0.23 H new ATOM 0 HB1 ALA B 81 -4.391 6.139 1.954 1.00 0.24 H new ATOM 0 HB2 ALA B 81 -5.299 5.666 0.499 1.00 0.24 H new ATOM 0 HB3 ALA B 81 -3.861 4.740 0.991 1.00 0.24 H new ATOM 2818 N LEU B 82 -1.097 6.018 0.373 1.00 0.22 N ATOM 2819 CA LEU B 82 0.282 6.195 0.810 1.00 0.23 C ATOM 2820 C LEU B 82 0.830 7.487 0.247 1.00 0.24 C ATOM 2821 O LEU B 82 1.514 8.247 0.942 1.00 0.30 O ATOM 2822 CB LEU B 82 1.159 5.033 0.352 1.00 0.25 C ATOM 2823 CG LEU B 82 0.921 3.701 1.055 1.00 0.27 C ATOM 2824 CD1 LEU B 82 1.898 2.669 0.543 1.00 0.33 C ATOM 2825 CD2 LEU B 82 1.047 3.854 2.561 1.00 0.32 C ATOM 0 H LEU B 82 -1.246 5.211 -0.233 1.00 0.22 H new ATOM 0 HA LEU B 82 0.292 6.227 1.899 1.00 0.23 H new ATOM 0 HB2 LEU B 82 1.008 4.889 -0.718 1.00 0.25 H new ATOM 0 HB3 LEU B 82 2.203 5.314 0.492 1.00 0.25 H new ATOM 0 HG LEU B 82 -0.093 3.368 0.836 1.00 0.27 H new ATOM 0 HD11 LEU B 82 1.723 1.720 1.049 1.00 0.33 H new ATOM 0 HD12 LEU B 82 1.760 2.539 -0.530 1.00 0.33 H new ATOM 0 HD13 LEU B 82 2.917 3.003 0.740 1.00 0.33 H new ATOM 0 HD21 LEU B 82 0.873 2.891 3.040 1.00 0.32 H new ATOM 0 HD22 LEU B 82 2.048 4.207 2.808 1.00 0.32 H new ATOM 0 HD23 LEU B 82 0.310 4.574 2.916 1.00 0.32 H new ATOM 2837 N LYS B 83 0.530 7.734 -1.022 1.00 0.26 N ATOM 2838 CA LYS B 83 0.875 9.004 -1.629 1.00 0.33 C ATOM 2839 C LYS B 83 0.171 10.125 -0.893 1.00 0.31 C ATOM 2840 O LYS B 83 0.778 11.118 -0.540 1.00 0.44 O ATOM 2841 CB LYS B 83 0.497 9.060 -3.102 1.00 0.42 C ATOM 2842 CG LYS B 83 1.701 9.112 -4.019 1.00 0.66 C ATOM 2843 CD LYS B 83 2.884 9.781 -3.332 1.00 1.04 C ATOM 2844 CE LYS B 83 3.721 10.535 -4.323 1.00 0.80 C ATOM 2845 NZ LYS B 83 5.113 10.762 -3.852 1.00 1.67 N ATOM 0 H LYS B 83 0.054 7.078 -1.641 1.00 0.26 H new ATOM 0 HA LYS B 83 1.957 9.117 -1.557 1.00 0.33 H new ATOM 0 HB2 LYS B 83 -0.105 8.186 -3.351 1.00 0.42 H new ATOM 0 HB3 LYS B 83 -0.126 9.937 -3.279 1.00 0.42 H new ATOM 0 HG2 LYS B 83 1.976 8.101 -4.321 1.00 0.66 H new ATOM 0 HG3 LYS B 83 1.447 9.659 -4.927 1.00 0.66 H new ATOM 0 HD2 LYS B 83 2.524 10.462 -2.561 1.00 1.04 H new ATOM 0 HD3 LYS B 83 3.494 9.028 -2.833 1.00 1.04 H new ATOM 0 HE2 LYS B 83 3.746 9.984 -5.263 1.00 0.80 H new ATOM 0 HE3 LYS B 83 3.252 11.497 -4.530 1.00 0.80 H new ATOM 0 HZ1 LYS B 83 5.576 11.465 -4.463 1.00 1.67 H new ATOM 0 HZ2 LYS B 83 5.095 11.112 -2.873 1.00 1.67 H new ATOM 0 HZ3 LYS B 83 5.643 9.868 -3.890 1.00 1.67 H new ATOM 2859 N ALA B 84 -1.111 9.938 -0.645 1.00 0.31 N ATOM 2860 CA ALA B 84 -1.910 10.924 0.066 1.00 0.35 C ATOM 2861 C ALA B 84 -1.348 11.221 1.459 1.00 0.33 C ATOM 2862 O ALA B 84 -1.625 12.273 2.027 1.00 0.40 O ATOM 2863 CB ALA B 84 -3.350 10.448 0.167 1.00 0.48 C ATOM 0 H ALA B 84 -1.628 9.105 -0.927 1.00 0.31 H new ATOM 0 HA ALA B 84 -1.874 11.853 -0.502 1.00 0.35 H new ATOM 0 HB1 ALA B 84 -3.942 11.191 0.701 1.00 0.48 H new ATOM 0 HB2 ALA B 84 -3.758 10.309 -0.834 1.00 0.48 H new ATOM 0 HB3 ALA B 84 -3.383 9.502 0.707 1.00 0.48 H new ATOM 2869 N ALA B 85 -0.568 10.291 1.999 1.00 0.30 N ATOM 2870 CA ALA B 85 -0.006 10.435 3.338 1.00 0.38 C ATOM 2871 C ALA B 85 1.246 11.316 3.353 1.00 0.44 C ATOM 2872 O ALA B 85 1.283 12.334 4.041 1.00 0.57 O ATOM 2873 CB ALA B 85 0.303 9.067 3.927 1.00 0.42 C ATOM 0 H ALA B 85 -0.309 9.424 1.527 1.00 0.30 H new ATOM 0 HA ALA B 85 -0.756 10.933 3.952 1.00 0.38 H new ATOM 0 HB1 ALA B 85 0.722 9.187 4.926 1.00 0.42 H new ATOM 0 HB2 ALA B 85 -0.614 8.481 3.986 1.00 0.42 H new ATOM 0 HB3 ALA B 85 1.023 8.551 3.291 1.00 0.42 H new ATOM 2879 N HIS B 86 2.281 10.923 2.613 1.00 0.44 N ATOM 2880 CA HIS B 86 3.538 11.681 2.610 1.00 0.59 C ATOM 2881 C HIS B 86 3.504 12.813 1.579 1.00 0.63 C ATOM 2882 O HIS B 86 4.032 13.899 1.803 1.00 0.72 O ATOM 2883 CB HIS B 86 4.738 10.746 2.384 1.00 0.69 C ATOM 2884 CG HIS B 86 6.052 11.463 2.259 1.00 1.28 C ATOM 2885 ND1 HIS B 86 6.788 11.873 3.347 1.00 2.06 N ATOM 2886 CD2 HIS B 86 6.753 11.853 1.168 1.00 2.11 C ATOM 2887 CE1 HIS B 86 7.882 12.482 2.933 1.00 2.66 C ATOM 2888 NE2 HIS B 86 7.886 12.485 1.615 1.00 2.68 N ATOM 0 H HIS B 86 2.279 10.097 2.015 1.00 0.44 H new ATOM 0 HA HIS B 86 3.656 12.143 3.590 1.00 0.59 H new ATOM 0 HB2 HIS B 86 4.798 10.040 3.213 1.00 0.69 H new ATOM 0 HB3 HIS B 86 4.566 10.162 1.480 1.00 0.69 H new ATOM 0 HD2 HIS B 86 6.472 11.696 0.137 1.00 2.11 H new ATOM 0 HE1 HIS B 86 8.646 12.907 3.567 1.00 2.66 H new ATOM 0 HE2 HIS B 86 8.612 12.890 1.024 1.00 2.68 H new ATOM 2897 N TYR B 87 2.864 12.541 0.461 1.00 0.58 N ATOM 2898 CA TYR B 87 2.614 13.531 -0.591 1.00 0.65 C ATOM 2899 C TYR B 87 1.325 14.291 -0.264 1.00 0.62 C ATOM 2900 O TYR B 87 0.613 14.732 -1.161 1.00 0.66 O ATOM 2901 CB TYR B 87 2.542 12.868 -1.978 1.00 0.69 C ATOM 2902 CG TYR B 87 2.536 13.830 -3.149 1.00 0.87 C ATOM 2903 CD1 TYR B 87 3.606 14.682 -3.385 1.00 1.43 C ATOM 2904 CD2 TYR B 87 1.457 13.875 -4.021 1.00 1.63 C ATOM 2905 CE1 TYR B 87 3.598 15.555 -4.457 1.00 1.54 C ATOM 2906 CE2 TYR B 87 1.442 14.743 -5.095 1.00 1.80 C ATOM 2907 CZ TYR B 87 2.515 15.581 -5.309 1.00 1.29 C ATOM 2908 OH TYR B 87 2.499 16.450 -6.377 1.00 1.51 O ATOM 0 H TYR B 87 2.494 11.616 0.245 1.00 0.58 H new ATOM 0 HA TYR B 87 3.444 14.236 -0.626 1.00 0.65 H new ATOM 0 HB2 TYR B 87 3.391 12.193 -2.086 1.00 0.69 H new ATOM 0 HB3 TYR B 87 1.641 12.256 -2.025 1.00 0.69 H new ATOM 0 HD1 TYR B 87 4.458 14.663 -2.721 1.00 1.43 H new ATOM 0 HD2 TYR B 87 0.614 13.220 -3.857 1.00 1.63 H new ATOM 0 HE1 TYR B 87 4.437 16.214 -4.626 1.00 1.54 H new ATOM 0 HE2 TYR B 87 0.594 14.765 -5.764 1.00 1.80 H new ATOM 0 HH TYR B 87 1.663 16.339 -6.877 1.00 1.51 H new ATOM 2918 N HIS B 88 0.991 14.290 1.040 1.00 0.59 N ATOM 2919 CA HIS B 88 -0.216 14.912 1.649 1.00 0.62 C ATOM 2920 C HIS B 88 -0.518 16.359 1.185 1.00 0.70 C ATOM 2921 O HIS B 88 -1.262 17.080 1.843 1.00 0.76 O ATOM 2922 CB HIS B 88 -0.026 14.908 3.175 1.00 0.65 C ATOM 2923 CG HIS B 88 -1.285 15.046 3.981 1.00 1.54 C ATOM 2924 ND1 HIS B 88 -1.640 16.204 4.641 1.00 2.37 N ATOM 2925 CD2 HIS B 88 -2.255 14.146 4.267 1.00 2.40 C ATOM 2926 CE1 HIS B 88 -2.769 16.009 5.295 1.00 3.26 C ATOM 2927 NE2 HIS B 88 -3.161 14.770 5.085 1.00 3.27 N ATOM 0 H HIS B 88 1.580 13.835 1.738 1.00 0.59 H new ATOM 0 HA HIS B 88 -1.070 14.319 1.322 1.00 0.62 H new ATOM 0 HB2 HIS B 88 0.468 13.979 3.460 1.00 0.65 H new ATOM 0 HB3 HIS B 88 0.648 15.722 3.442 1.00 0.65 H new ATOM 0 HD2 HIS B 88 -2.306 13.126 3.916 1.00 2.40 H new ATOM 0 HE1 HIS B 88 -3.284 16.741 5.900 1.00 3.26 H new ATOM 0 HE2 HIS B 88 -4.004 14.343 5.469 1.00 3.27 H new ATOM 2936 N THR B 89 0.031 16.769 0.062 1.00 0.73 N ATOM 2937 CA THR B 89 -0.214 18.087 -0.491 1.00 0.81 C ATOM 2938 C THR B 89 -1.358 17.994 -1.495 1.00 0.72 C ATOM 2939 O THR B 89 -1.512 18.837 -2.381 1.00 1.05 O ATOM 2940 CB THR B 89 1.061 18.622 -1.173 1.00 0.97 C ATOM 2941 OG1 THR B 89 0.870 19.970 -1.624 1.00 1.27 O ATOM 2942 CG2 THR B 89 1.467 17.736 -2.346 1.00 0.90 C ATOM 0 H THR B 89 0.663 16.196 -0.497 1.00 0.73 H new ATOM 0 HA THR B 89 -0.487 18.778 0.307 1.00 0.81 H new ATOM 0 HB THR B 89 1.861 18.608 -0.433 1.00 0.97 H new ATOM 0 HG1 THR B 89 0.015 20.038 -2.099 1.00 1.27 H new ATOM 0 HG21 THR B 89 2.369 18.136 -2.809 1.00 0.90 H new ATOM 0 HG22 THR B 89 1.661 16.725 -1.988 1.00 0.90 H new ATOM 0 HG23 THR B 89 0.662 17.713 -3.080 1.00 0.90 H new ATOM 2950 N HIS B 90 -2.140 16.930 -1.324 1.00 0.66 N ATOM 2951 CA HIS B 90 -3.229 16.565 -2.212 1.00 0.65 C ATOM 2952 C HIS B 90 -2.660 15.867 -3.420 1.00 0.94 C ATOM 2953 O HIS B 90 -2.301 16.496 -4.416 1.00 1.78 O ATOM 2954 CB HIS B 90 -4.117 17.742 -2.643 1.00 0.91 C ATOM 2955 CG HIS B 90 -4.932 18.349 -1.538 1.00 1.72 C ATOM 2956 ND1 HIS B 90 -6.115 19.019 -1.763 1.00 2.44 N ATOM 2957 CD2 HIS B 90 -4.733 18.389 -0.198 1.00 2.68 C ATOM 2958 CE1 HIS B 90 -6.607 19.441 -0.615 1.00 3.32 C ATOM 2959 NE2 HIS B 90 -5.789 19.074 0.353 1.00 3.47 N ATOM 0 H HIS B 90 -2.026 16.285 -0.542 1.00 0.66 H new ATOM 0 HA HIS B 90 -3.886 15.902 -1.649 1.00 0.65 H new ATOM 0 HB2 HIS B 90 -3.485 18.516 -3.078 1.00 0.91 H new ATOM 0 HB3 HIS B 90 -4.791 17.402 -3.429 1.00 0.91 H new ATOM 0 HD2 HIS B 90 -3.898 17.961 0.338 1.00 2.68 H new ATOM 0 HE1 HIS B 90 -7.526 19.994 -0.488 1.00 3.32 H new ATOM 0 HE2 HIS B 90 -5.919 19.267 1.346 1.00 3.47 H new