USER MOD reduce.3.24.130724 H: found=0, std=0, add=1224, rem=0, adj=33 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 29 SER OG : rot 180:sc= 0.0151 USER MOD Set 1.2: B 68 GLN : amide:sc= -0.0467 K(o=-0.032,f=-1.3) USER MOD Set 2.1: B 34 LYS NZ :NH3+ 178:sc= 0.812 (180deg=-0.171) USER MOD Set 2.2: B 35 GLN : amide:sc=-0.000478 K(o=0.81,f=-7.6!) USER MOD Set 3.1: A 29 SER OG : rot 180:sc= 0.0108 USER MOD Set 3.2: A 68 GLN : amide:sc= -0.045 K(o=-0.034,f=-1.4) USER MOD Set 4.1: A 34 LYS NZ :NH3+ 172:sc= 0.843 (180deg=-0.18) USER MOD Set 4.2: A 35 GLN : amide:sc= -0.0112 K(o=0.83,f=-7.4!) USER MOD Single : A 7 HIS :FLIP no HE2:sc= -0.0367 F(o=-0.72,f=-0.037) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 16 HIS : no HD1:sc= -0.0212 X(o=-0.021,f=0) USER MOD Single : A 17 GLN : amide:sc= 1.13 K(o=1.1,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 178:sc= 0.935 (180deg=0.829) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.518 USER MOD Single : A 39 LYS NZ :NH3+ 179:sc= -0.071 (180deg=-0.148) USER MOD Single : A 43 ASN : amide:sc= -0.0813 X(o=-0.081,f=-0.32) USER MOD Single : A 44 THR OG1 : rot -130:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00565) USER MOD Single : A 47 ASN : amide:sc= 0.102 K(o=0.1,f=-1.3) USER MOD Single : A 49 LYS NZ :NH3+ -161:sc= -0.0535 (180deg=-0.356) USER MOD Single : A 51 LYS NZ :NH3+ 155:sc= -0.18 (180deg=-0.873) USER MOD Single : A 59 GLN : amide:sc= 0.342 K(o=0.34,f=-1.1) USER MOD Single : A 64 ASN : amide:sc= 0.829 K(o=0.83,f=-0.22) USER MOD Single : A 65 GLN :FLIP amide:sc=-0.00796 F(o=-1.2,f=-0.008) USER MOD Single : A 72 GLN :FLIP amide:sc= -0.0195 F(o=-1.2!,f=-0.02) USER MOD Single : A 76 SER OG : rot 33:sc= 0.98 USER MOD Single : A 83 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0122) USER MOD Single : A 86 HIS : no HD1:sc= -0.0303 X(o=-0.03,f=-0.14) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 HIS : no HE2:sc= 0.773 K(o=0.77,f=-3.8!) USER MOD Single : A 89 THR OG1 : rot -47:sc= 0.407 USER MOD Single : A 90 HIS : no HD1:sc=-0.000846 X(o=-0.00085,f=-0.016) USER MOD Single : B 7 HIS :FLIP no HE2:sc= -0.025 F(o=-0.62,f=-0.025) USER MOD Single : B 13 ASN : amide:sc= 0 X(o=0,f=-0.091) USER MOD Single : B 16 HIS : no HD1:sc= -0.0212 X(o=-0.021,f=0) USER MOD Single : B 17 GLN : amide:sc= 1.22 K(o=1.2,f=-0.0032) USER MOD Single : B 30 LYS NZ :NH3+ 176:sc= 0.947 (180deg=0.847) USER MOD Single : B 38 THR OG1 : rot 180:sc= -0.522 USER MOD Single : B 39 LYS NZ :NH3+ 174:sc= -0.0849 (180deg=-0.248) USER MOD Single : B 43 ASN : amide:sc= -0.099 X(o=-0.099,f=-0.25) USER MOD Single : B 44 THR OG1 : rot -130:sc= 0 USER MOD Single : B 46 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0103) USER MOD Single : B 47 ASN : amide:sc= 0.113 K(o=0.11,f=-1.2) USER MOD Single : B 49 LYS NZ :NH3+ -162:sc= -0.0622 (180deg=-0.375) USER MOD Single : B 51 LYS NZ :NH3+ 140:sc= -0.272 (180deg=-0.888) USER MOD Single : B 59 GLN : amide:sc= 0.448 K(o=0.45,f=-0.93) USER MOD Single : B 64 ASN : amide:sc= 0.913 K(o=0.91,f=-0.19) USER MOD Single : B 65 GLN :FLIP amide:sc=-0.00727 F(o=-1.1,f=-0.0073) USER MOD Single : B 72 GLN :FLIP amide:sc= -0.0342 F(o=-1.2!,f=-0.034) USER MOD Single : B 76 SER OG : rot 33:sc= 0.967 USER MOD Single : B 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 86 HIS : no HD1:sc= -0.0117 X(o=-0.012,f=-0.083) USER MOD Single : B 87 TYR OH : rot 180:sc= 0 USER MOD Single : B 88 HIS : no HE2:sc= 0.703 K(o=0.7,f=-3.9!) USER MOD Single : B 89 THR OG1 : rot -43:sc= 0.476 USER MOD Single : B 90 HIS : no HD1:sc=-0.00755 X(o=-0.0075,f=-0.013) USER MOD ----------------------------------------------------------------- ATOM 75 N GLU A 5 -5.384 5.352 10.615 1.00 1.20 N ATOM 76 CA GLU A 5 -4.660 6.123 9.606 1.00 0.93 C ATOM 77 C GLU A 5 -3.157 6.067 9.878 1.00 0.69 C ATOM 78 O GLU A 5 -2.336 6.406 9.022 1.00 0.68 O ATOM 79 CB GLU A 5 -5.153 7.575 9.606 1.00 1.39 C ATOM 80 CG GLU A 5 -5.002 8.263 10.954 1.00 1.80 C ATOM 81 CD GLU A 5 -5.652 9.630 11.007 1.00 2.48 C ATOM 82 OE1 GLU A 5 -5.094 10.588 10.434 1.00 3.00 O ATOM 83 OE2 GLU A 5 -6.719 9.756 11.644 1.00 3.10 O ATOM 0 HA GLU A 5 -4.848 5.690 8.624 1.00 0.93 H new ATOM 0 HB2 GLU A 5 -4.600 8.139 8.855 1.00 1.39 H new ATOM 0 HB3 GLU A 5 -6.202 7.595 9.312 1.00 1.39 H new ATOM 0 HG2 GLU A 5 -5.439 7.631 11.727 1.00 1.80 H new ATOM 0 HG3 GLU A 5 -3.942 8.364 11.186 1.00 1.80 H new ATOM 90 N GLU A 6 -2.813 5.625 11.084 1.00 0.68 N ATOM 91 CA GLU A 6 -1.426 5.449 11.497 1.00 0.67 C ATOM 92 C GLU A 6 -0.735 4.399 10.631 1.00 0.54 C ATOM 93 O GLU A 6 0.487 4.336 10.572 1.00 0.60 O ATOM 94 CB GLU A 6 -1.374 5.026 12.966 1.00 0.78 C ATOM 95 CG GLU A 6 -0.003 5.167 13.605 1.00 1.07 C ATOM 96 CD GLU A 6 0.431 6.614 13.731 1.00 1.79 C ATOM 97 OE1 GLU A 6 -0.181 7.352 14.530 1.00 2.51 O ATOM 98 OE2 GLU A 6 1.385 7.021 13.037 1.00 2.48 O ATOM 0 H GLU A 6 -3.492 5.378 11.804 1.00 0.68 H new ATOM 0 HA GLU A 6 -0.904 6.398 11.374 1.00 0.67 H new ATOM 0 HB2 GLU A 6 -2.089 5.624 13.531 1.00 0.78 H new ATOM 0 HB3 GLU A 6 -1.695 3.987 13.045 1.00 0.78 H new ATOM 0 HG2 GLU A 6 -0.017 4.708 14.593 1.00 1.07 H new ATOM 0 HG3 GLU A 6 0.730 4.621 13.010 1.00 1.07 H new ATOM 105 N HIS A 7 -1.524 3.573 9.962 1.00 0.42 N ATOM 106 CA HIS A 7 -0.977 2.521 9.121 1.00 0.38 C ATOM 107 C HIS A 7 -0.345 3.108 7.867 1.00 0.35 C ATOM 108 O HIS A 7 0.798 2.794 7.548 1.00 0.39 O ATOM 109 CB HIS A 7 -2.056 1.496 8.753 1.00 0.43 C ATOM 110 CG HIS A 7 -2.470 0.622 9.900 1.00 0.95 C ATOM 111 ND1 HIS A 7 -3.057 0.927 11.083 1.00 1.73 N flip ATOM 112 CD2 HIS A 7 -2.286 -0.745 9.912 1.00 1.60 C flip ATOM 113 CE1 HIS A 7 -3.212 -0.244 11.778 1.00 2.16 C flip ATOM 114 NE2 HIS A 7 -2.741 -1.237 11.052 1.00 2.03 N flip ATOM 0 H HIS A 7 -2.543 3.611 9.985 1.00 0.42 H new ATOM 0 HA HIS A 7 -0.201 2.007 9.688 1.00 0.38 H new ATOM 0 HB2 HIS A 7 -2.932 2.023 8.374 1.00 0.43 H new ATOM 0 HB3 HIS A 7 -1.687 0.867 7.943 1.00 0.43 H new ATOM 0 HD1 HIS A 7 -3.333 1.857 11.398 1.00 1.73 H new ATOM 0 HD2 HIS A 7 -1.840 -1.323 9.116 1.00 1.60 H new ATOM 0 HE1 HIS A 7 -3.649 -0.337 12.761 1.00 2.16 H new ATOM 123 N LEU A 8 -1.078 3.982 7.180 1.00 0.34 N ATOM 124 CA LEU A 8 -0.588 4.611 5.954 1.00 0.32 C ATOM 125 C LEU A 8 0.632 5.473 6.225 1.00 0.33 C ATOM 126 O LEU A 8 1.717 5.222 5.695 1.00 0.33 O ATOM 127 CB LEU A 8 -1.673 5.483 5.348 1.00 0.33 C ATOM 128 CG LEU A 8 -2.985 4.765 5.062 1.00 0.32 C ATOM 129 CD1 LEU A 8 -4.010 5.742 4.539 1.00 0.32 C ATOM 130 CD2 LEU A 8 -2.771 3.621 4.082 1.00 0.33 C ATOM 0 H LEU A 8 -2.017 4.272 7.453 1.00 0.34 H new ATOM 0 HA LEU A 8 -0.313 3.814 5.263 1.00 0.32 H new ATOM 0 HB2 LEU A 8 -1.870 6.315 6.024 1.00 0.33 H new ATOM 0 HB3 LEU A 8 -1.299 5.910 4.418 1.00 0.33 H new ATOM 0 HG LEU A 8 -3.360 4.340 5.993 1.00 0.32 H new ATOM 0 HD11 LEU A 8 -4.944 5.217 4.338 1.00 0.32 H new ATOM 0 HD12 LEU A 8 -4.184 6.520 5.283 1.00 0.32 H new ATOM 0 HD13 LEU A 8 -3.644 6.196 3.618 1.00 0.32 H new ATOM 0 HD21 LEU A 8 -3.721 3.122 3.892 1.00 0.33 H new ATOM 0 HD22 LEU A 8 -2.374 4.013 3.146 1.00 0.33 H new ATOM 0 HD23 LEU A 8 -2.064 2.907 4.505 1.00 0.33 H new ATOM 142 N GLU A 9 0.450 6.482 7.069 1.00 0.37 N ATOM 143 CA GLU A 9 1.531 7.394 7.409 1.00 0.40 C ATOM 144 C GLU A 9 2.636 6.641 8.132 1.00 0.40 C ATOM 145 O GLU A 9 3.790 7.063 8.142 1.00 0.42 O ATOM 146 CB GLU A 9 1.017 8.549 8.272 1.00 0.47 C ATOM 147 CG GLU A 9 -0.045 9.391 7.583 1.00 1.24 C ATOM 148 CD GLU A 9 -0.438 10.613 8.387 1.00 1.72 C ATOM 149 OE1 GLU A 9 -1.377 10.520 9.202 1.00 2.41 O ATOM 150 OE2 GLU A 9 0.181 11.679 8.200 1.00 2.17 O ATOM 0 H GLU A 9 -0.437 6.688 7.529 1.00 0.37 H new ATOM 0 HA GLU A 9 1.934 7.815 6.488 1.00 0.40 H new ATOM 0 HB2 GLU A 9 0.607 8.146 9.198 1.00 0.47 H new ATOM 0 HB3 GLU A 9 1.856 9.189 8.547 1.00 0.47 H new ATOM 0 HG2 GLU A 9 0.325 9.707 6.608 1.00 1.24 H new ATOM 0 HG3 GLU A 9 -0.929 8.779 7.406 1.00 1.24 H new ATOM 157 N GLY A 10 2.263 5.512 8.718 1.00 0.40 N ATOM 158 CA GLY A 10 3.212 4.677 9.410 1.00 0.43 C ATOM 159 C GLY A 10 4.135 3.939 8.466 1.00 0.39 C ATOM 160 O GLY A 10 5.303 3.751 8.775 1.00 0.44 O ATOM 0 H GLY A 10 1.306 5.160 8.723 1.00 0.40 H new ATOM 0 HA2 GLY A 10 3.806 5.292 10.086 1.00 0.43 H new ATOM 0 HA3 GLY A 10 2.674 3.955 10.025 1.00 0.43 H new ATOM 164 N ILE A 11 3.621 3.517 7.312 1.00 0.34 N ATOM 165 CA ILE A 11 4.456 2.834 6.331 1.00 0.33 C ATOM 166 C ILE A 11 5.357 3.850 5.646 1.00 0.33 C ATOM 167 O ILE A 11 6.536 3.595 5.395 1.00 0.38 O ATOM 168 CB ILE A 11 3.621 2.068 5.283 1.00 0.35 C ATOM 169 CG1 ILE A 11 2.717 1.048 5.976 1.00 0.41 C ATOM 170 CG2 ILE A 11 4.535 1.368 4.290 1.00 0.50 C ATOM 171 CD1 ILE A 11 1.874 0.233 5.022 1.00 1.16 C ATOM 0 H ILE A 11 2.646 3.634 7.038 1.00 0.34 H new ATOM 0 HA ILE A 11 5.058 2.094 6.859 1.00 0.33 H new ATOM 0 HB ILE A 11 2.999 2.781 4.742 1.00 0.35 H new ATOM 0 HG12 ILE A 11 3.334 0.373 6.569 1.00 0.41 H new ATOM 0 HG13 ILE A 11 2.060 1.571 6.671 1.00 0.41 H new ATOM 0 HG21 ILE A 11 3.933 0.832 3.557 1.00 0.50 H new ATOM 0 HG22 ILE A 11 5.153 2.107 3.781 1.00 0.50 H new ATOM 0 HG23 ILE A 11 5.175 0.662 4.820 1.00 0.50 H new ATOM 0 HD11 ILE A 11 1.260 -0.468 5.587 1.00 1.16 H new ATOM 0 HD12 ILE A 11 1.230 0.898 4.447 1.00 1.16 H new ATOM 0 HD13 ILE A 11 2.524 -0.319 4.343 1.00 1.16 H new ATOM 183 N VAL A 12 4.788 5.013 5.374 1.00 0.33 N ATOM 184 CA VAL A 12 5.553 6.164 4.926 1.00 0.38 C ATOM 185 C VAL A 12 6.668 6.474 5.928 1.00 0.40 C ATOM 186 O VAL A 12 7.803 6.793 5.556 1.00 0.45 O ATOM 187 CB VAL A 12 4.618 7.370 4.777 1.00 0.45 C ATOM 188 CG1 VAL A 12 5.390 8.644 4.509 1.00 0.57 C ATOM 189 CG2 VAL A 12 3.631 7.096 3.662 1.00 0.48 C ATOM 0 H VAL A 12 3.786 5.185 5.457 1.00 0.33 H new ATOM 0 HA VAL A 12 6.008 5.944 3.960 1.00 0.38 H new ATOM 0 HB VAL A 12 4.081 7.514 5.714 1.00 0.45 H new ATOM 0 HG11 VAL A 12 4.694 9.477 4.409 1.00 0.57 H new ATOM 0 HG12 VAL A 12 6.071 8.838 5.337 1.00 0.57 H new ATOM 0 HG13 VAL A 12 5.961 8.536 3.587 1.00 0.57 H new ATOM 0 HG21 VAL A 12 2.962 7.950 3.550 1.00 0.48 H new ATOM 0 HG22 VAL A 12 4.171 6.934 2.729 1.00 0.48 H new ATOM 0 HG23 VAL A 12 3.048 6.207 3.903 1.00 0.48 H new ATOM 199 N ASN A 13 6.331 6.336 7.205 1.00 0.42 N ATOM 200 CA ASN A 13 7.277 6.544 8.293 1.00 0.48 C ATOM 201 C ASN A 13 8.347 5.458 8.302 1.00 0.48 C ATOM 202 O ASN A 13 9.488 5.721 8.663 1.00 0.58 O ATOM 203 CB ASN A 13 6.544 6.569 9.638 1.00 0.61 C ATOM 204 CG ASN A 13 7.477 6.778 10.815 1.00 0.75 C ATOM 205 OD1 ASN A 13 8.001 5.823 11.385 1.00 1.31 O ATOM 206 ND2 ASN A 13 7.684 8.030 11.189 1.00 1.42 N ATOM 0 H ASN A 13 5.394 6.077 7.515 1.00 0.42 H new ATOM 0 HA ASN A 13 7.765 7.506 8.136 1.00 0.48 H new ATOM 0 HB2 ASN A 13 5.799 7.365 9.625 1.00 0.61 H new ATOM 0 HB3 ASN A 13 6.005 5.631 9.770 1.00 0.61 H new ATOM 0 HD21 ASN A 13 8.298 8.232 11.978 1.00 1.42 H new ATOM 0 HD22 ASN A 13 7.229 8.794 10.688 1.00 1.42 H new ATOM 213 N ILE A 14 7.978 4.244 7.895 1.00 0.47 N ATOM 214 CA ILE A 14 8.925 3.132 7.834 1.00 0.57 C ATOM 215 C ILE A 14 10.011 3.408 6.798 1.00 0.53 C ATOM 216 O ILE A 14 11.199 3.170 7.044 1.00 0.60 O ATOM 217 CB ILE A 14 8.231 1.788 7.496 1.00 0.68 C ATOM 218 CG1 ILE A 14 7.178 1.445 8.552 1.00 1.33 C ATOM 219 CG2 ILE A 14 9.258 0.665 7.398 1.00 1.14 C ATOM 220 CD1 ILE A 14 6.401 0.179 8.248 1.00 2.06 C ATOM 0 H ILE A 14 7.030 4.006 7.603 1.00 0.47 H new ATOM 0 HA ILE A 14 9.370 3.046 8.825 1.00 0.57 H new ATOM 0 HB ILE A 14 7.736 1.895 6.531 1.00 0.68 H new ATOM 0 HG12 ILE A 14 7.668 1.337 9.520 1.00 1.33 H new ATOM 0 HG13 ILE A 14 6.480 2.277 8.640 1.00 1.33 H new ATOM 0 HG21 ILE A 14 8.752 -0.271 7.160 1.00 1.14 H new ATOM 0 HG22 ILE A 14 9.978 0.898 6.614 1.00 1.14 H new ATOM 0 HG23 ILE A 14 9.779 0.564 8.350 1.00 1.14 H new ATOM 0 HD11 ILE A 14 5.673 -0.000 9.040 1.00 2.06 H new ATOM 0 HD12 ILE A 14 5.882 0.291 7.296 1.00 2.06 H new ATOM 0 HD13 ILE A 14 7.089 -0.665 8.189 1.00 2.06 H new ATOM 232 N PHE A 15 9.611 3.935 5.644 1.00 0.48 N ATOM 233 CA PHE A 15 10.573 4.247 4.596 1.00 0.58 C ATOM 234 C PHE A 15 11.515 5.347 5.073 1.00 0.60 C ATOM 235 O PHE A 15 12.703 5.343 4.756 1.00 0.70 O ATOM 236 CB PHE A 15 9.865 4.664 3.307 1.00 0.68 C ATOM 237 CG PHE A 15 10.750 4.609 2.092 1.00 1.18 C ATOM 238 CD1 PHE A 15 11.335 3.414 1.701 1.00 1.93 C ATOM 239 CD2 PHE A 15 10.989 5.742 1.336 1.00 1.74 C ATOM 240 CE1 PHE A 15 12.141 3.353 0.581 1.00 2.54 C ATOM 241 CE2 PHE A 15 11.796 5.689 0.215 1.00 2.35 C ATOM 242 CZ PHE A 15 12.373 4.493 -0.164 1.00 2.57 C ATOM 0 H PHE A 15 8.641 4.152 5.414 1.00 0.48 H new ATOM 0 HA PHE A 15 11.154 3.351 4.379 1.00 0.58 H new ATOM 0 HB2 PHE A 15 9.003 4.015 3.149 1.00 0.68 H new ATOM 0 HB3 PHE A 15 9.483 5.678 3.423 1.00 0.68 H new ATOM 0 HD1 PHE A 15 11.158 2.519 2.280 1.00 1.93 H new ATOM 0 HD2 PHE A 15 10.539 6.680 1.625 1.00 1.74 H new ATOM 0 HE1 PHE A 15 12.589 2.415 0.288 1.00 2.54 H new ATOM 0 HE2 PHE A 15 11.975 6.583 -0.364 1.00 2.35 H new ATOM 0 HZ PHE A 15 13.003 4.449 -1.040 1.00 2.57 H new ATOM 252 N HIS A 16 10.974 6.270 5.860 1.00 0.59 N ATOM 253 CA HIS A 16 11.776 7.325 6.480 1.00 0.71 C ATOM 254 C HIS A 16 12.631 6.766 7.613 1.00 0.75 C ATOM 255 O HIS A 16 13.667 7.330 7.960 1.00 0.88 O ATOM 256 CB HIS A 16 10.875 8.430 7.039 1.00 0.77 C ATOM 257 CG HIS A 16 10.518 9.496 6.053 1.00 1.15 C ATOM 258 ND1 HIS A 16 11.034 10.771 6.116 1.00 1.82 N ATOM 259 CD2 HIS A 16 9.676 9.485 4.993 1.00 1.84 C ATOM 260 CE1 HIS A 16 10.528 11.498 5.140 1.00 2.22 C ATOM 261 NE2 HIS A 16 9.701 10.744 4.440 1.00 2.23 N ATOM 0 H HIS A 16 9.980 6.311 6.086 1.00 0.59 H new ATOM 0 HA HIS A 16 12.426 7.738 5.708 1.00 0.71 H new ATOM 0 HB2 HIS A 16 9.957 7.978 7.415 1.00 0.77 H new ATOM 0 HB3 HIS A 16 11.374 8.893 7.891 1.00 0.77 H new ATOM 0 HD2 HIS A 16 9.093 8.644 4.646 1.00 1.84 H new ATOM 0 HE1 HIS A 16 10.752 12.536 4.946 1.00 2.22 H new ATOM 0 HE2 HIS A 16 9.169 11.045 3.624 1.00 2.23 H new ATOM 270 N GLN A 17 12.181 5.658 8.179 1.00 0.69 N ATOM 271 CA GLN A 17 12.809 5.067 9.350 1.00 0.81 C ATOM 272 C GLN A 17 14.197 4.532 9.030 1.00 0.93 C ATOM 273 O GLN A 17 15.157 4.835 9.738 1.00 1.18 O ATOM 274 CB GLN A 17 11.917 3.955 9.916 1.00 0.85 C ATOM 275 CG GLN A 17 12.524 3.185 11.079 1.00 1.27 C ATOM 276 CD GLN A 17 12.808 1.736 10.727 1.00 1.99 C ATOM 277 OE1 GLN A 17 13.899 1.401 10.262 1.00 2.60 O ATOM 278 NE2 GLN A 17 11.829 0.871 10.944 1.00 2.77 N ATOM 0 H GLN A 17 11.369 5.142 7.839 1.00 0.69 H new ATOM 0 HA GLN A 17 12.927 5.847 10.102 1.00 0.81 H new ATOM 0 HB2 GLN A 17 10.974 4.394 10.241 1.00 0.85 H new ATOM 0 HB3 GLN A 17 11.682 3.253 9.116 1.00 0.85 H new ATOM 0 HG2 GLN A 17 13.450 3.669 11.388 1.00 1.27 H new ATOM 0 HG3 GLN A 17 11.845 3.223 11.931 1.00 1.27 H new ATOM 0 HE21 GLN A 17 10.941 1.192 11.331 1.00 2.77 H new ATOM 0 HE22 GLN A 17 11.963 -0.116 10.725 1.00 2.77 H new ATOM 452 N LEU A 28 18.287 6.632 -2.745 1.00 1.14 N ATOM 453 CA LEU A 28 17.180 5.702 -2.534 1.00 0.90 C ATOM 454 C LEU A 28 17.195 4.585 -3.579 1.00 0.71 C ATOM 455 O LEU A 28 16.305 4.461 -4.423 1.00 0.76 O ATOM 456 CB LEU A 28 15.827 6.447 -2.500 1.00 1.66 C ATOM 457 CG LEU A 28 15.306 7.067 -3.811 1.00 2.02 C ATOM 458 CD1 LEU A 28 14.008 7.813 -3.551 1.00 2.91 C ATOM 459 CD2 LEU A 28 16.319 8.007 -4.439 1.00 2.37 C ATOM 0 HA LEU A 28 17.311 5.232 -1.559 1.00 0.90 H new ATOM 0 HB2 LEU A 28 15.072 5.750 -2.138 1.00 1.66 H new ATOM 0 HB3 LEU A 28 15.904 7.245 -1.762 1.00 1.66 H new ATOM 0 HG LEU A 28 15.132 6.251 -4.512 1.00 2.02 H new ATOM 0 HD11 LEU A 28 13.646 8.249 -4.482 1.00 2.91 H new ATOM 0 HD12 LEU A 28 13.262 7.121 -3.160 1.00 2.91 H new ATOM 0 HD13 LEU A 28 14.183 8.606 -2.824 1.00 2.91 H new ATOM 0 HD21 LEU A 28 15.909 8.421 -5.360 1.00 2.37 H new ATOM 0 HD22 LEU A 28 16.542 8.818 -3.745 1.00 2.37 H new ATOM 0 HD23 LEU A 28 17.234 7.459 -4.663 1.00 2.37 H new ATOM 471 N SER A 29 18.229 3.770 -3.502 1.00 0.61 N ATOM 472 CA SER A 29 18.431 2.679 -4.431 1.00 0.49 C ATOM 473 C SER A 29 17.978 1.358 -3.808 1.00 0.44 C ATOM 474 O SER A 29 17.360 1.358 -2.742 1.00 0.53 O ATOM 475 CB SER A 29 19.902 2.622 -4.831 1.00 0.55 C ATOM 476 OG SER A 29 20.370 3.914 -5.190 1.00 1.35 O ATOM 0 H SER A 29 18.955 3.848 -2.790 1.00 0.61 H new ATOM 0 HA SER A 29 17.831 2.846 -5.325 1.00 0.49 H new ATOM 0 HB2 SER A 29 20.495 2.231 -4.004 1.00 0.55 H new ATOM 0 HB3 SER A 29 20.031 1.936 -5.668 1.00 0.55 H new ATOM 0 HG SER A 29 21.315 3.861 -5.443 1.00 1.35 H new ATOM 482 N LYS A 30 18.276 0.239 -4.459 1.00 0.38 N ATOM 483 CA LYS A 30 17.825 -1.067 -3.979 1.00 0.36 C ATOM 484 C LYS A 30 18.369 -1.367 -2.583 1.00 0.36 C ATOM 485 O LYS A 30 17.786 -2.150 -1.853 1.00 0.37 O ATOM 486 CB LYS A 30 18.267 -2.176 -4.934 1.00 0.39 C ATOM 487 CG LYS A 30 17.467 -3.465 -4.782 1.00 0.41 C ATOM 488 CD LYS A 30 18.105 -4.622 -5.535 1.00 0.50 C ATOM 489 CE LYS A 30 18.619 -4.192 -6.900 1.00 0.52 C ATOM 490 NZ LYS A 30 19.129 -5.329 -7.705 1.00 1.32 N ATOM 0 H LYS A 30 18.826 0.207 -5.318 1.00 0.38 H new ATOM 0 HA LYS A 30 16.736 -1.034 -3.934 1.00 0.36 H new ATOM 0 HB2 LYS A 30 18.174 -1.819 -5.960 1.00 0.39 H new ATOM 0 HB3 LYS A 30 19.322 -2.391 -4.765 1.00 0.39 H new ATOM 0 HG2 LYS A 30 17.387 -3.720 -3.725 1.00 0.41 H new ATOM 0 HG3 LYS A 30 16.453 -3.308 -5.150 1.00 0.41 H new ATOM 0 HD2 LYS A 30 18.929 -5.028 -4.948 1.00 0.50 H new ATOM 0 HD3 LYS A 30 17.376 -5.423 -5.657 1.00 0.50 H new ATOM 0 HE2 LYS A 30 17.816 -3.697 -7.446 1.00 0.52 H new ATOM 0 HE3 LYS A 30 19.415 -3.459 -6.769 1.00 0.52 H new ATOM 0 HZ1 LYS A 30 19.435 -4.985 -8.637 1.00 1.32 H new ATOM 0 HZ2 LYS A 30 19.936 -5.767 -7.216 1.00 1.32 H new ATOM 0 HZ3 LYS A 30 18.374 -6.034 -7.827 1.00 1.32 H new ATOM 504 N GLY A 31 19.479 -0.731 -2.225 1.00 0.39 N ATOM 505 CA GLY A 31 20.143 -1.016 -0.960 1.00 0.40 C ATOM 506 C GLY A 31 19.243 -0.890 0.254 1.00 0.38 C ATOM 507 O GLY A 31 19.078 -1.846 1.018 1.00 0.39 O ATOM 0 H GLY A 31 19.936 -0.017 -2.792 1.00 0.39 H new ATOM 0 HA2 GLY A 31 20.549 -2.027 -0.995 1.00 0.40 H new ATOM 0 HA3 GLY A 31 20.988 -0.337 -0.845 1.00 0.40 H new ATOM 511 N GLU A 32 18.659 0.284 0.433 1.00 0.44 N ATOM 512 CA GLU A 32 17.825 0.551 1.598 1.00 0.50 C ATOM 513 C GLU A 32 16.524 -0.231 1.545 1.00 0.42 C ATOM 514 O GLU A 32 16.046 -0.717 2.571 1.00 0.44 O ATOM 515 CB GLU A 32 17.544 2.042 1.732 1.00 0.67 C ATOM 516 CG GLU A 32 17.166 2.711 0.425 1.00 0.96 C ATOM 517 CD GLU A 32 16.913 4.194 0.588 1.00 1.58 C ATOM 518 OE1 GLU A 32 17.893 4.950 0.748 1.00 2.10 O ATOM 519 OE2 GLU A 32 15.738 4.612 0.575 1.00 2.44 O ATOM 0 H GLU A 32 18.746 1.069 -0.213 1.00 0.44 H new ATOM 0 HA GLU A 32 18.377 0.220 2.477 1.00 0.50 H new ATOM 0 HB2 GLU A 32 16.738 2.188 2.451 1.00 0.67 H new ATOM 0 HB3 GLU A 32 18.427 2.534 2.140 1.00 0.67 H new ATOM 0 HG2 GLU A 32 17.964 2.559 -0.302 1.00 0.96 H new ATOM 0 HG3 GLU A 32 16.272 2.235 0.021 1.00 0.96 H new ATOM 526 N LEU A 33 15.963 -0.349 0.349 1.00 0.38 N ATOM 527 CA LEU A 33 14.772 -1.150 0.134 1.00 0.34 C ATOM 528 C LEU A 33 15.042 -2.571 0.576 1.00 0.29 C ATOM 529 O LEU A 33 14.305 -3.139 1.364 1.00 0.32 O ATOM 530 CB LEU A 33 14.404 -1.146 -1.342 1.00 0.34 C ATOM 531 CG LEU A 33 13.026 -1.706 -1.667 1.00 0.39 C ATOM 532 CD1 LEU A 33 11.938 -0.806 -1.102 1.00 0.52 C ATOM 533 CD2 LEU A 33 12.866 -1.883 -3.164 1.00 0.46 C ATOM 0 H LEU A 33 16.320 0.105 -0.492 1.00 0.38 H new ATOM 0 HA LEU A 33 13.948 -0.731 0.711 1.00 0.34 H new ATOM 0 HB2 LEU A 33 14.459 -0.122 -1.711 1.00 0.34 H new ATOM 0 HB3 LEU A 33 15.151 -1.722 -1.888 1.00 0.34 H new ATOM 0 HG LEU A 33 12.928 -2.686 -1.199 1.00 0.39 H new ATOM 0 HD11 LEU A 33 10.960 -1.222 -1.344 1.00 0.52 H new ATOM 0 HD12 LEU A 33 12.046 -0.740 -0.019 1.00 0.52 H new ATOM 0 HD13 LEU A 33 12.027 0.189 -1.537 1.00 0.52 H new ATOM 0 HD21 LEU A 33 11.876 -2.284 -3.379 1.00 0.46 H new ATOM 0 HD22 LEU A 33 12.982 -0.919 -3.659 1.00 0.46 H new ATOM 0 HD23 LEU A 33 13.625 -2.574 -3.532 1.00 0.46 H new ATOM 545 N LYS A 34 16.135 -3.107 0.065 1.00 0.29 N ATOM 546 CA LYS A 34 16.587 -4.451 0.363 1.00 0.31 C ATOM 547 C LYS A 34 16.610 -4.705 1.861 1.00 0.35 C ATOM 548 O LYS A 34 16.045 -5.687 2.338 1.00 0.41 O ATOM 549 CB LYS A 34 17.978 -4.629 -0.238 1.00 0.34 C ATOM 550 CG LYS A 34 18.680 -5.926 0.132 1.00 0.53 C ATOM 551 CD LYS A 34 20.051 -6.021 -0.519 1.00 0.85 C ATOM 552 CE LYS A 34 21.022 -4.996 0.048 1.00 1.30 C ATOM 553 NZ LYS A 34 21.332 -5.253 1.479 1.00 1.87 N ATOM 0 H LYS A 34 16.745 -2.608 -0.582 1.00 0.29 H new ATOM 0 HA LYS A 34 15.896 -5.174 -0.071 1.00 0.31 H new ATOM 0 HB2 LYS A 34 17.897 -4.575 -1.324 1.00 0.34 H new ATOM 0 HB3 LYS A 34 18.603 -3.793 0.077 1.00 0.34 H new ATOM 0 HG2 LYS A 34 18.785 -5.988 1.215 1.00 0.53 H new ATOM 0 HG3 LYS A 34 18.069 -6.773 -0.178 1.00 0.53 H new ATOM 0 HD2 LYS A 34 20.454 -7.023 -0.371 1.00 0.85 H new ATOM 0 HD3 LYS A 34 19.953 -5.872 -1.594 1.00 0.85 H new ATOM 0 HE2 LYS A 34 21.945 -5.012 -0.531 1.00 1.30 H new ATOM 0 HE3 LYS A 34 20.597 -3.998 -0.057 1.00 1.30 H new ATOM 0 HZ1 LYS A 34 22.096 -4.618 1.788 1.00 1.87 H new ATOM 0 HZ2 LYS A 34 20.483 -5.079 2.055 1.00 1.87 H new ATOM 0 HZ3 LYS A 34 21.634 -6.241 1.597 1.00 1.87 H new ATOM 567 N GLN A 35 17.252 -3.808 2.597 1.00 0.35 N ATOM 568 CA GLN A 35 17.283 -3.910 4.044 1.00 0.43 C ATOM 569 C GLN A 35 15.887 -3.828 4.619 1.00 0.43 C ATOM 570 O GLN A 35 15.431 -4.771 5.250 1.00 0.50 O ATOM 571 CB GLN A 35 18.163 -2.833 4.658 1.00 0.50 C ATOM 572 CG GLN A 35 19.643 -3.134 4.549 1.00 1.07 C ATOM 573 CD GLN A 35 19.959 -4.603 4.759 1.00 1.68 C ATOM 574 OE1 GLN A 35 19.973 -5.388 3.813 1.00 2.46 O ATOM 575 NE2 GLN A 35 20.212 -4.983 5.999 1.00 2.07 N ATOM 0 H GLN A 35 17.755 -3.007 2.216 1.00 0.35 H new ATOM 0 HA GLN A 35 17.710 -4.882 4.293 1.00 0.43 H new ATOM 0 HB2 GLN A 35 17.956 -1.882 4.168 1.00 0.50 H new ATOM 0 HB3 GLN A 35 17.900 -2.714 5.709 1.00 0.50 H new ATOM 0 HG2 GLN A 35 20.001 -2.827 3.566 1.00 1.07 H new ATOM 0 HG3 GLN A 35 20.185 -2.541 5.285 1.00 1.07 H new ATOM 0 HE21 GLN A 35 20.190 -4.300 6.756 1.00 2.07 H new ATOM 0 HE22 GLN A 35 20.429 -5.959 6.199 1.00 2.07 H new ATOM 584 N LEU A 36 15.208 -2.715 4.365 1.00 0.38 N ATOM 585 CA LEU A 36 13.873 -2.471 4.899 1.00 0.39 C ATOM 586 C LEU A 36 12.975 -3.686 4.684 1.00 0.38 C ATOM 587 O LEU A 36 12.247 -4.102 5.568 1.00 0.45 O ATOM 588 CB LEU A 36 13.288 -1.232 4.215 1.00 0.36 C ATOM 589 CG LEU A 36 11.942 -0.738 4.737 1.00 0.40 C ATOM 590 CD1 LEU A 36 11.831 0.760 4.526 1.00 0.45 C ATOM 591 CD2 LEU A 36 10.793 -1.446 4.035 1.00 0.40 C ATOM 0 H LEU A 36 15.567 -1.957 3.784 1.00 0.38 H new ATOM 0 HA LEU A 36 13.935 -2.297 5.973 1.00 0.39 H new ATOM 0 HB2 LEU A 36 14.009 -0.419 4.307 1.00 0.36 H new ATOM 0 HB3 LEU A 36 13.184 -1.447 3.151 1.00 0.36 H new ATOM 0 HG LEU A 36 11.881 -0.962 5.802 1.00 0.40 H new ATOM 0 HD11 LEU A 36 10.869 1.110 4.900 1.00 0.45 H new ATOM 0 HD12 LEU A 36 12.634 1.264 5.064 1.00 0.45 H new ATOM 0 HD13 LEU A 36 11.910 0.984 3.462 1.00 0.45 H new ATOM 0 HD21 LEU A 36 9.845 -1.076 4.425 1.00 0.40 H new ATOM 0 HD22 LEU A 36 10.846 -1.251 2.964 1.00 0.40 H new ATOM 0 HD23 LEU A 36 10.864 -2.519 4.212 1.00 0.40 H new ATOM 603 N LEU A 37 13.058 -4.262 3.514 1.00 0.34 N ATOM 604 CA LEU A 37 12.261 -5.419 3.175 1.00 0.35 C ATOM 605 C LEU A 37 12.674 -6.662 3.967 1.00 0.41 C ATOM 606 O LEU A 37 11.828 -7.323 4.563 1.00 0.45 O ATOM 607 CB LEU A 37 12.362 -5.675 1.679 1.00 0.34 C ATOM 608 CG LEU A 37 11.874 -4.520 0.805 1.00 0.30 C ATOM 609 CD1 LEU A 37 11.978 -4.869 -0.670 1.00 0.38 C ATOM 610 CD2 LEU A 37 10.452 -4.145 1.179 1.00 0.32 C ATOM 0 H LEU A 37 13.678 -3.946 2.768 1.00 0.34 H new ATOM 0 HA LEU A 37 11.226 -5.209 3.445 1.00 0.35 H new ATOM 0 HB2 LEU A 37 13.401 -5.890 1.429 1.00 0.34 H new ATOM 0 HB3 LEU A 37 11.785 -6.567 1.436 1.00 0.34 H new ATOM 0 HG LEU A 37 12.516 -3.657 0.983 1.00 0.30 H new ATOM 0 HD11 LEU A 37 11.624 -4.029 -1.268 1.00 0.38 H new ATOM 0 HD12 LEU A 37 13.017 -5.081 -0.921 1.00 0.38 H new ATOM 0 HD13 LEU A 37 11.367 -5.747 -0.880 1.00 0.38 H new ATOM 0 HD21 LEU A 37 10.115 -3.321 0.550 1.00 0.32 H new ATOM 0 HD22 LEU A 37 9.798 -5.005 1.032 1.00 0.32 H new ATOM 0 HD23 LEU A 37 10.419 -3.839 2.225 1.00 0.32 H new ATOM 622 N THR A 38 13.966 -6.965 3.993 1.00 0.45 N ATOM 623 CA THR A 38 14.445 -8.186 4.633 1.00 0.53 C ATOM 624 C THR A 38 14.347 -8.100 6.162 1.00 0.59 C ATOM 625 O THR A 38 14.227 -9.120 6.838 1.00 0.66 O ATOM 626 CB THR A 38 15.901 -8.522 4.209 1.00 0.55 C ATOM 627 OG1 THR A 38 16.289 -9.809 4.700 1.00 1.23 O ATOM 628 CG2 THR A 38 16.889 -7.485 4.719 1.00 1.03 C ATOM 0 H THR A 38 14.698 -6.386 3.581 1.00 0.45 H new ATOM 0 HA THR A 38 13.795 -8.992 4.293 1.00 0.53 H new ATOM 0 HB THR A 38 15.920 -8.521 3.119 1.00 0.55 H new ATOM 0 HG1 THR A 38 17.208 -10.002 4.421 1.00 1.23 H new ATOM 0 HG21 THR A 38 17.896 -7.755 4.402 1.00 1.03 H new ATOM 0 HG22 THR A 38 16.631 -6.507 4.314 1.00 1.03 H new ATOM 0 HG23 THR A 38 16.849 -7.449 5.808 1.00 1.03 H new ATOM 636 N LYS A 39 14.415 -6.892 6.714 1.00 0.58 N ATOM 637 CA LYS A 39 14.343 -6.729 8.162 1.00 0.66 C ATOM 638 C LYS A 39 12.938 -6.376 8.649 1.00 0.64 C ATOM 639 O LYS A 39 12.519 -6.835 9.714 1.00 0.72 O ATOM 640 CB LYS A 39 15.354 -5.689 8.661 1.00 0.72 C ATOM 641 CG LYS A 39 15.225 -4.330 8.014 1.00 0.68 C ATOM 642 CD LYS A 39 16.519 -3.542 8.149 1.00 0.73 C ATOM 643 CE LYS A 39 16.558 -2.729 9.437 1.00 0.87 C ATOM 644 NZ LYS A 39 15.929 -3.425 10.596 1.00 1.61 N ATOM 0 H LYS A 39 14.518 -6.023 6.189 1.00 0.58 H new ATOM 0 HA LYS A 39 14.600 -7.700 8.586 1.00 0.66 H new ATOM 0 HB2 LYS A 39 15.239 -5.577 9.739 1.00 0.72 H new ATOM 0 HB3 LYS A 39 16.361 -6.067 8.486 1.00 0.72 H new ATOM 0 HG2 LYS A 39 14.973 -4.447 6.960 1.00 0.68 H new ATOM 0 HG3 LYS A 39 14.408 -3.778 8.478 1.00 0.68 H new ATOM 0 HD2 LYS A 39 17.366 -4.228 8.127 1.00 0.73 H new ATOM 0 HD3 LYS A 39 16.628 -2.874 7.295 1.00 0.73 H new ATOM 0 HE2 LYS A 39 17.595 -2.498 9.681 1.00 0.87 H new ATOM 0 HE3 LYS A 39 16.049 -1.779 9.274 1.00 0.87 H new ATOM 0 HZ1 LYS A 39 16.004 -2.826 11.443 1.00 1.61 H new ATOM 0 HZ2 LYS A 39 14.926 -3.608 10.389 1.00 1.61 H new ATOM 0 HZ3 LYS A 39 16.417 -4.327 10.766 1.00 1.61 H new ATOM 658 N GLU A 40 12.205 -5.578 7.881 1.00 0.57 N ATOM 659 CA GLU A 40 10.931 -5.045 8.358 1.00 0.58 C ATOM 660 C GLU A 40 9.759 -5.879 7.828 1.00 0.56 C ATOM 661 O GLU A 40 8.829 -6.201 8.561 1.00 0.64 O ATOM 662 CB GLU A 40 10.767 -3.571 7.942 1.00 0.58 C ATOM 663 CG GLU A 40 11.935 -2.659 8.320 1.00 0.87 C ATOM 664 CD GLU A 40 12.293 -2.677 9.795 1.00 1.14 C ATOM 665 OE1 GLU A 40 11.699 -1.905 10.573 1.00 1.67 O ATOM 666 OE2 GLU A 40 13.213 -3.434 10.180 1.00 1.63 O ATOM 0 H GLU A 40 12.464 -5.288 6.938 1.00 0.57 H new ATOM 0 HA GLU A 40 10.930 -5.101 9.447 1.00 0.58 H new ATOM 0 HB2 GLU A 40 10.626 -3.527 6.862 1.00 0.58 H new ATOM 0 HB3 GLU A 40 9.858 -3.179 8.398 1.00 0.58 H new ATOM 0 HG2 GLU A 40 12.811 -2.953 7.742 1.00 0.87 H new ATOM 0 HG3 GLU A 40 11.691 -1.637 8.030 1.00 0.87 H new ATOM 673 N LEU A 41 9.827 -6.256 6.557 1.00 0.50 N ATOM 674 CA LEU A 41 8.753 -7.023 5.924 1.00 0.49 C ATOM 675 C LEU A 41 9.167 -8.487 5.801 1.00 0.52 C ATOM 676 O LEU A 41 8.662 -9.230 4.954 1.00 0.53 O ATOM 677 CB LEU A 41 8.416 -6.455 4.534 1.00 0.43 C ATOM 678 CG LEU A 41 7.718 -5.083 4.504 1.00 0.51 C ATOM 679 CD1 LEU A 41 8.592 -3.988 5.090 1.00 1.22 C ATOM 680 CD2 LEU A 41 7.326 -4.726 3.081 1.00 1.42 C ATOM 0 H LEU A 41 10.613 -6.045 5.942 1.00 0.50 H new ATOM 0 HA LEU A 41 7.863 -6.948 6.548 1.00 0.49 H new ATOM 0 HB2 LEU A 41 9.341 -6.380 3.963 1.00 0.43 H new ATOM 0 HB3 LEU A 41 7.780 -7.173 4.017 1.00 0.43 H new ATOM 0 HG LEU A 41 6.823 -5.158 5.121 1.00 0.51 H new ATOM 0 HD11 LEU A 41 8.061 -3.037 5.049 1.00 1.22 H new ATOM 0 HD12 LEU A 41 8.828 -4.227 6.127 1.00 1.22 H new ATOM 0 HD13 LEU A 41 9.515 -3.913 4.515 1.00 1.22 H new ATOM 0 HD21 LEU A 41 6.833 -3.754 3.072 1.00 1.42 H new ATOM 0 HD22 LEU A 41 8.219 -4.686 2.457 1.00 1.42 H new ATOM 0 HD23 LEU A 41 6.644 -5.482 2.691 1.00 1.42 H new ATOM 692 N ALA A 42 10.080 -8.877 6.686 1.00 0.58 N ATOM 693 CA ALA A 42 10.733 -10.190 6.663 1.00 0.64 C ATOM 694 C ALA A 42 9.767 -11.374 6.579 1.00 0.71 C ATOM 695 O ALA A 42 10.102 -12.405 5.995 1.00 0.78 O ATOM 696 CB ALA A 42 11.607 -10.342 7.898 1.00 0.71 C ATOM 0 H ALA A 42 10.395 -8.283 7.453 1.00 0.58 H new ATOM 0 HA ALA A 42 11.326 -10.216 5.749 1.00 0.64 H new ATOM 0 HB1 ALA A 42 12.093 -11.318 7.882 1.00 0.71 H new ATOM 0 HB2 ALA A 42 12.365 -9.559 7.906 1.00 0.71 H new ATOM 0 HB3 ALA A 42 10.990 -10.259 8.793 1.00 0.71 H new ATOM 702 N ASN A 43 8.585 -11.242 7.160 1.00 0.74 N ATOM 703 CA ASN A 43 7.679 -12.381 7.277 1.00 0.83 C ATOM 704 C ASN A 43 6.481 -12.246 6.338 1.00 0.83 C ATOM 705 O ASN A 43 5.656 -13.154 6.235 1.00 1.07 O ATOM 706 CB ASN A 43 7.208 -12.515 8.731 1.00 0.99 C ATOM 707 CG ASN A 43 6.449 -13.804 9.006 1.00 1.28 C ATOM 708 OD1 ASN A 43 5.223 -13.855 8.906 1.00 1.56 O ATOM 709 ND2 ASN A 43 7.173 -14.857 9.355 1.00 2.16 N ATOM 0 H ASN A 43 8.231 -10.371 7.554 1.00 0.74 H new ATOM 0 HA ASN A 43 8.221 -13.281 6.985 1.00 0.83 H new ATOM 0 HB2 ASN A 43 8.074 -12.464 9.391 1.00 0.99 H new ATOM 0 HB3 ASN A 43 6.569 -11.667 8.977 1.00 0.99 H new ATOM 0 HD21 ASN A 43 6.716 -15.748 9.551 1.00 2.16 H new ATOM 0 HD22 ASN A 43 8.187 -14.777 9.428 1.00 2.16 H new ATOM 716 N THR A 44 6.410 -11.143 5.609 1.00 0.65 N ATOM 717 CA THR A 44 5.227 -10.846 4.822 1.00 0.61 C ATOM 718 C THR A 44 5.422 -11.289 3.383 1.00 0.59 C ATOM 719 O THR A 44 4.672 -12.115 2.856 1.00 0.66 O ATOM 720 CB THR A 44 4.920 -9.339 4.842 1.00 0.56 C ATOM 721 OG1 THR A 44 5.128 -8.819 6.161 1.00 0.65 O ATOM 722 CG2 THR A 44 3.483 -9.077 4.411 1.00 0.53 C ATOM 0 H THR A 44 7.151 -10.445 5.547 1.00 0.65 H new ATOM 0 HA THR A 44 4.391 -11.389 5.263 1.00 0.61 H new ATOM 0 HB THR A 44 5.591 -8.841 4.142 1.00 0.56 H new ATOM 0 HG1 THR A 44 4.345 -8.298 6.434 1.00 0.65 H new ATOM 0 HG21 THR A 44 3.286 -8.005 4.432 1.00 0.53 H new ATOM 0 HG22 THR A 44 3.332 -9.454 3.399 1.00 0.53 H new ATOM 0 HG23 THR A 44 2.800 -9.584 5.093 1.00 0.53 H new ATOM 730 N ILE A 45 6.450 -10.740 2.766 1.00 0.52 N ATOM 731 CA ILE A 45 6.760 -11.016 1.380 1.00 0.52 C ATOM 732 C ILE A 45 7.536 -12.325 1.272 1.00 0.59 C ATOM 733 O ILE A 45 8.398 -12.606 2.107 1.00 0.60 O ATOM 734 CB ILE A 45 7.580 -9.860 0.785 1.00 0.43 C ATOM 735 CG1 ILE A 45 6.826 -8.531 0.928 1.00 0.39 C ATOM 736 CG2 ILE A 45 7.902 -10.139 -0.673 1.00 0.47 C ATOM 737 CD1 ILE A 45 7.591 -7.342 0.386 1.00 0.36 C ATOM 0 H ILE A 45 7.094 -10.089 3.214 1.00 0.52 H new ATOM 0 HA ILE A 45 5.831 -11.111 0.819 1.00 0.52 H new ATOM 0 HB ILE A 45 8.516 -9.780 1.337 1.00 0.43 H new ATOM 0 HG12 ILE A 45 5.871 -8.606 0.408 1.00 0.39 H new ATOM 0 HG13 ILE A 45 6.603 -8.360 1.981 1.00 0.39 H new ATOM 0 HG21 ILE A 45 8.483 -9.312 -1.082 1.00 0.47 H new ATOM 0 HG22 ILE A 45 8.479 -11.060 -0.748 1.00 0.47 H new ATOM 0 HG23 ILE A 45 6.975 -10.245 -1.237 1.00 0.47 H new ATOM 0 HD11 ILE A 45 6.999 -6.437 0.520 1.00 0.36 H new ATOM 0 HD12 ILE A 45 8.535 -7.241 0.922 1.00 0.36 H new ATOM 0 HD13 ILE A 45 7.791 -7.491 -0.675 1.00 0.36 H new ATOM 749 N LYS A 46 7.217 -13.127 0.253 1.00 0.67 N ATOM 750 CA LYS A 46 7.820 -14.446 0.111 1.00 0.73 C ATOM 751 C LYS A 46 9.327 -14.325 -0.013 1.00 0.68 C ATOM 752 O LYS A 46 9.824 -13.604 -0.875 1.00 0.63 O ATOM 753 CB LYS A 46 7.221 -15.216 -1.095 1.00 0.82 C ATOM 754 CG LYS A 46 7.830 -14.919 -2.469 1.00 0.79 C ATOM 755 CD LYS A 46 9.074 -15.772 -2.739 1.00 0.75 C ATOM 756 CE LYS A 46 9.508 -15.693 -4.193 1.00 0.88 C ATOM 757 NZ LYS A 46 8.633 -16.501 -5.086 1.00 1.61 N ATOM 0 H LYS A 46 6.549 -12.885 -0.479 1.00 0.67 H new ATOM 0 HA LYS A 46 7.592 -15.021 1.008 1.00 0.73 H new ATOM 0 HB2 LYS A 46 7.322 -16.284 -0.901 1.00 0.82 H new ATOM 0 HB3 LYS A 46 6.154 -15.000 -1.141 1.00 0.82 H new ATOM 0 HG2 LYS A 46 7.086 -15.106 -3.244 1.00 0.79 H new ATOM 0 HG3 LYS A 46 8.094 -13.863 -2.529 1.00 0.79 H new ATOM 0 HD2 LYS A 46 9.890 -15.438 -2.098 1.00 0.75 H new ATOM 0 HD3 LYS A 46 8.867 -16.810 -2.477 1.00 0.75 H new ATOM 0 HE2 LYS A 46 9.495 -14.653 -4.518 1.00 0.88 H new ATOM 0 HE3 LYS A 46 10.537 -16.042 -4.283 1.00 0.88 H new ATOM 0 HZ1 LYS A 46 9.006 -16.472 -6.056 1.00 1.61 H new ATOM 0 HZ2 LYS A 46 8.611 -17.486 -4.753 1.00 1.61 H new ATOM 0 HZ3 LYS A 46 7.669 -16.110 -5.074 1.00 1.61 H new ATOM 771 N ASN A 47 10.034 -15.009 0.882 1.00 0.71 N ATOM 772 CA ASN A 47 11.497 -15.041 0.878 1.00 0.67 C ATOM 773 C ASN A 47 12.090 -13.671 0.615 1.00 0.59 C ATOM 774 O ASN A 47 13.036 -13.536 -0.158 1.00 0.57 O ATOM 775 CB ASN A 47 12.023 -16.019 -0.167 1.00 0.69 C ATOM 776 CG ASN A 47 11.877 -17.469 0.249 1.00 0.92 C ATOM 777 OD1 ASN A 47 10.932 -17.839 0.945 1.00 1.48 O ATOM 778 ND2 ASN A 47 12.820 -18.297 -0.166 1.00 1.24 N ATOM 0 H ASN A 47 9.611 -15.557 1.631 1.00 0.71 H new ATOM 0 HA ASN A 47 11.803 -15.371 1.871 1.00 0.67 H new ATOM 0 HB2 ASN A 47 11.490 -15.861 -1.105 1.00 0.69 H new ATOM 0 HB3 ASN A 47 13.075 -15.806 -0.358 1.00 0.69 H new ATOM 0 HD21 ASN A 47 12.781 -19.284 0.090 1.00 1.24 H new ATOM 0 HD22 ASN A 47 13.587 -17.949 -0.742 1.00 1.24 H new ATOM 785 N ILE A 48 11.535 -12.660 1.266 1.00 0.55 N ATOM 786 CA ILE A 48 11.980 -11.283 1.090 1.00 0.48 C ATOM 787 C ILE A 48 13.439 -11.116 1.516 1.00 0.48 C ATOM 788 O ILE A 48 14.046 -10.060 1.358 1.00 0.43 O ATOM 789 CB ILE A 48 11.086 -10.325 1.896 1.00 0.46 C ATOM 790 CG1 ILE A 48 11.354 -8.873 1.504 1.00 0.40 C ATOM 791 CG2 ILE A 48 11.301 -10.527 3.384 1.00 0.52 C ATOM 792 CD1 ILE A 48 11.264 -8.622 0.015 1.00 0.38 C ATOM 0 H ILE A 48 10.767 -12.768 1.928 1.00 0.55 H new ATOM 0 HA ILE A 48 11.902 -11.039 0.031 1.00 0.48 H new ATOM 0 HB ILE A 48 10.045 -10.550 1.664 1.00 0.46 H new ATOM 0 HG12 ILE A 48 10.639 -8.229 2.017 1.00 0.40 H new ATOM 0 HG13 ILE A 48 12.347 -8.588 1.853 1.00 0.40 H new ATOM 0 HG21 ILE A 48 10.661 -9.842 3.940 1.00 0.52 H new ATOM 0 HG22 ILE A 48 11.052 -11.554 3.651 1.00 0.52 H new ATOM 0 HG23 ILE A 48 12.344 -10.331 3.631 1.00 0.52 H new ATOM 0 HD11 ILE A 48 11.466 -7.571 -0.190 1.00 0.38 H new ATOM 0 HD12 ILE A 48 11.998 -9.240 -0.503 1.00 0.38 H new ATOM 0 HD13 ILE A 48 10.264 -8.875 -0.337 1.00 0.38 H new ATOM 804 N LYS A 49 13.991 -12.184 2.054 1.00 0.56 N ATOM 805 CA LYS A 49 15.364 -12.208 2.497 1.00 0.57 C ATOM 806 C LYS A 49 16.287 -12.390 1.306 1.00 0.55 C ATOM 807 O LYS A 49 17.477 -12.074 1.364 1.00 0.56 O ATOM 808 CB LYS A 49 15.552 -13.356 3.476 1.00 0.65 C ATOM 809 CG LYS A 49 14.383 -13.507 4.426 1.00 0.73 C ATOM 810 CD LYS A 49 14.166 -12.248 5.248 1.00 0.72 C ATOM 811 CE LYS A 49 15.205 -12.095 6.348 1.00 0.82 C ATOM 812 NZ LYS A 49 15.120 -13.181 7.358 1.00 1.11 N ATOM 0 H LYS A 49 13.494 -13.063 2.196 1.00 0.56 H new ATOM 0 HA LYS A 49 15.605 -11.266 2.989 1.00 0.57 H new ATOM 0 HB2 LYS A 49 15.687 -14.284 2.921 1.00 0.65 H new ATOM 0 HB3 LYS A 49 16.464 -13.193 4.051 1.00 0.65 H new ATOM 0 HG2 LYS A 49 13.480 -13.733 3.860 1.00 0.73 H new ATOM 0 HG3 LYS A 49 14.561 -14.351 5.092 1.00 0.73 H new ATOM 0 HD2 LYS A 49 14.202 -11.378 4.593 1.00 0.72 H new ATOM 0 HD3 LYS A 49 13.171 -12.272 5.691 1.00 0.72 H new ATOM 0 HE2 LYS A 49 16.201 -12.090 5.906 1.00 0.82 H new ATOM 0 HE3 LYS A 49 15.070 -11.132 6.841 1.00 0.82 H new ATOM 0 HZ1 LYS A 49 15.600 -12.882 8.231 1.00 1.11 H new ATOM 0 HZ2 LYS A 49 14.121 -13.385 7.565 1.00 1.11 H new ATOM 0 HZ3 LYS A 49 15.579 -14.037 6.987 1.00 1.11 H new ATOM 826 N ASP A 50 15.723 -12.906 0.223 1.00 0.55 N ATOM 827 CA ASP A 50 16.488 -13.183 -0.975 1.00 0.56 C ATOM 828 C ASP A 50 16.621 -11.951 -1.836 1.00 0.50 C ATOM 829 O ASP A 50 15.638 -11.298 -2.176 1.00 0.47 O ATOM 830 CB ASP A 50 15.858 -14.317 -1.781 1.00 0.62 C ATOM 831 CG ASP A 50 16.164 -15.681 -1.199 1.00 0.97 C ATOM 832 OD1 ASP A 50 17.360 -16.011 -1.046 1.00 1.58 O ATOM 833 OD2 ASP A 50 15.214 -16.439 -0.904 1.00 1.57 O ATOM 0 H ASP A 50 14.733 -13.141 0.154 1.00 0.55 H new ATOM 0 HA ASP A 50 17.484 -13.493 -0.658 1.00 0.56 H new ATOM 0 HB2 ASP A 50 14.778 -14.175 -1.818 1.00 0.62 H new ATOM 0 HB3 ASP A 50 16.221 -14.274 -2.808 1.00 0.62 H new ATOM 838 N LYS A 51 17.860 -11.655 -2.191 1.00 0.50 N ATOM 839 CA LYS A 51 18.182 -10.513 -3.025 1.00 0.48 C ATOM 840 C LYS A 51 17.527 -10.665 -4.388 1.00 0.50 C ATOM 841 O LYS A 51 17.209 -9.682 -5.041 1.00 0.48 O ATOM 842 CB LYS A 51 19.690 -10.423 -3.199 1.00 0.53 C ATOM 843 CG LYS A 51 20.269 -9.013 -3.145 1.00 0.83 C ATOM 844 CD LYS A 51 19.684 -8.103 -4.215 1.00 0.60 C ATOM 845 CE LYS A 51 20.549 -6.867 -4.435 1.00 0.83 C ATOM 846 NZ LYS A 51 21.957 -7.217 -4.768 1.00 0.92 N ATOM 0 H LYS A 51 18.672 -12.203 -1.907 1.00 0.50 H new ATOM 0 HA LYS A 51 17.811 -9.606 -2.547 1.00 0.48 H new ATOM 0 HB2 LYS A 51 20.165 -11.023 -2.423 1.00 0.53 H new ATOM 0 HB3 LYS A 51 19.956 -10.871 -4.156 1.00 0.53 H new ATOM 0 HG2 LYS A 51 20.078 -8.582 -2.162 1.00 0.83 H new ATOM 0 HG3 LYS A 51 21.351 -9.063 -3.266 1.00 0.83 H new ATOM 0 HD2 LYS A 51 19.591 -8.654 -5.151 1.00 0.60 H new ATOM 0 HD3 LYS A 51 18.679 -7.797 -3.924 1.00 0.60 H new ATOM 0 HE2 LYS A 51 20.125 -6.268 -5.241 1.00 0.83 H new ATOM 0 HE3 LYS A 51 20.533 -6.250 -3.537 1.00 0.83 H new ATOM 0 HZ1 LYS A 51 22.390 -6.439 -5.306 1.00 0.92 H new ATOM 0 HZ2 LYS A 51 22.493 -7.372 -3.890 1.00 0.92 H new ATOM 0 HZ3 LYS A 51 21.973 -8.085 -5.341 1.00 0.92 H new ATOM 860 N ALA A 52 17.334 -11.908 -4.811 1.00 0.55 N ATOM 861 CA ALA A 52 16.667 -12.189 -6.070 1.00 0.60 C ATOM 862 C ALA A 52 15.201 -11.830 -5.957 1.00 0.58 C ATOM 863 O ALA A 52 14.605 -11.282 -6.882 1.00 0.60 O ATOM 864 CB ALA A 52 16.818 -13.651 -6.439 1.00 0.67 C ATOM 0 H ALA A 52 17.632 -12.737 -4.297 1.00 0.55 H new ATOM 0 HA ALA A 52 17.127 -11.589 -6.855 1.00 0.60 H new ATOM 0 HB1 ALA A 52 16.312 -13.842 -7.385 1.00 0.67 H new ATOM 0 HB2 ALA A 52 17.876 -13.894 -6.538 1.00 0.67 H new ATOM 0 HB3 ALA A 52 16.375 -14.271 -5.659 1.00 0.67 H new ATOM 870 N VAL A 53 14.644 -12.120 -4.792 1.00 0.54 N ATOM 871 CA VAL A 53 13.255 -11.795 -4.502 1.00 0.53 C ATOM 872 C VAL A 53 13.108 -10.287 -4.425 1.00 0.47 C ATOM 873 O VAL A 53 12.190 -9.698 -4.995 1.00 0.48 O ATOM 874 CB VAL A 53 12.790 -12.431 -3.172 1.00 0.53 C ATOM 875 CG1 VAL A 53 11.538 -11.748 -2.642 1.00 0.51 C ATOM 876 CG2 VAL A 53 12.530 -13.916 -3.350 1.00 0.60 C ATOM 0 H VAL A 53 15.135 -12.583 -4.027 1.00 0.54 H new ATOM 0 HA VAL A 53 12.631 -12.198 -5.300 1.00 0.53 H new ATOM 0 HB VAL A 53 13.591 -12.295 -2.445 1.00 0.53 H new ATOM 0 HG11 VAL A 53 11.236 -12.218 -1.706 1.00 0.51 H new ATOM 0 HG12 VAL A 53 11.746 -10.692 -2.468 1.00 0.51 H new ATOM 0 HG13 VAL A 53 10.734 -11.844 -3.372 1.00 0.51 H new ATOM 0 HG21 VAL A 53 12.204 -14.344 -2.402 1.00 0.60 H new ATOM 0 HG22 VAL A 53 11.753 -14.062 -4.101 1.00 0.60 H new ATOM 0 HG23 VAL A 53 13.446 -14.409 -3.675 1.00 0.60 H new ATOM 886 N ILE A 54 14.051 -9.677 -3.734 1.00 0.42 N ATOM 887 CA ILE A 54 14.095 -8.236 -3.586 1.00 0.36 C ATOM 888 C ILE A 54 14.262 -7.558 -4.928 1.00 0.38 C ATOM 889 O ILE A 54 13.674 -6.517 -5.188 1.00 0.38 O ATOM 890 CB ILE A 54 15.251 -7.845 -2.676 1.00 0.35 C ATOM 891 CG1 ILE A 54 14.962 -8.373 -1.281 1.00 0.37 C ATOM 892 CG2 ILE A 54 15.462 -6.332 -2.666 1.00 0.32 C ATOM 893 CD1 ILE A 54 16.055 -8.079 -0.293 1.00 0.38 C ATOM 0 H ILE A 54 14.809 -10.167 -3.259 1.00 0.42 H new ATOM 0 HA ILE A 54 13.152 -7.911 -3.146 1.00 0.36 H new ATOM 0 HB ILE A 54 16.176 -8.285 -3.049 1.00 0.35 H new ATOM 0 HG12 ILE A 54 14.030 -7.937 -0.921 1.00 0.37 H new ATOM 0 HG13 ILE A 54 14.810 -9.451 -1.333 1.00 0.37 H new ATOM 0 HG21 ILE A 54 16.294 -6.085 -2.007 1.00 0.32 H new ATOM 0 HG22 ILE A 54 15.685 -5.989 -3.676 1.00 0.32 H new ATOM 0 HG23 ILE A 54 14.557 -5.841 -2.308 1.00 0.32 H new ATOM 0 HD11 ILE A 54 15.783 -8.484 0.682 1.00 0.38 H new ATOM 0 HD12 ILE A 54 16.984 -8.539 -0.631 1.00 0.38 H new ATOM 0 HD13 ILE A 54 16.192 -7.001 -0.212 1.00 0.38 H new ATOM 905 N ASP A 55 15.071 -8.168 -5.776 1.00 0.43 N ATOM 906 CA ASP A 55 15.328 -7.650 -7.104 1.00 0.47 C ATOM 907 C ASP A 55 14.045 -7.647 -7.891 1.00 0.48 C ATOM 908 O ASP A 55 13.657 -6.641 -8.457 1.00 0.49 O ATOM 909 CB ASP A 55 16.347 -8.518 -7.824 1.00 0.55 C ATOM 910 CG ASP A 55 16.870 -7.855 -9.080 1.00 0.86 C ATOM 911 OD1 ASP A 55 17.348 -6.707 -8.993 1.00 1.53 O ATOM 912 OD2 ASP A 55 16.810 -8.484 -10.159 1.00 1.44 O ATOM 0 H ASP A 55 15.566 -9.034 -5.562 1.00 0.43 H new ATOM 0 HA ASP A 55 15.721 -6.637 -7.017 1.00 0.47 H new ATOM 0 HB2 ASP A 55 17.179 -8.732 -7.153 1.00 0.55 H new ATOM 0 HB3 ASP A 55 15.891 -9.474 -8.082 1.00 0.55 H new ATOM 917 N GLU A 56 13.393 -8.792 -7.886 1.00 0.51 N ATOM 918 CA GLU A 56 12.111 -8.974 -8.535 1.00 0.54 C ATOM 919 C GLU A 56 11.129 -7.869 -8.151 1.00 0.47 C ATOM 920 O GLU A 56 10.459 -7.290 -9.012 1.00 0.49 O ATOM 921 CB GLU A 56 11.566 -10.340 -8.140 1.00 0.58 C ATOM 922 CG GLU A 56 12.223 -11.486 -8.894 1.00 0.69 C ATOM 923 CD GLU A 56 11.685 -12.842 -8.496 1.00 1.06 C ATOM 924 OE1 GLU A 56 10.465 -13.076 -8.636 1.00 1.66 O ATOM 925 OE2 GLU A 56 12.490 -13.697 -8.076 1.00 1.77 O ATOM 0 H GLU A 56 13.743 -9.632 -7.426 1.00 0.51 H new ATOM 0 HA GLU A 56 12.241 -8.920 -9.616 1.00 0.54 H new ATOM 0 HB2 GLU A 56 11.711 -10.487 -7.070 1.00 0.58 H new ATOM 0 HB3 GLU A 56 10.492 -10.362 -8.322 1.00 0.58 H new ATOM 0 HG2 GLU A 56 12.074 -11.342 -9.964 1.00 0.69 H new ATOM 0 HG3 GLU A 56 13.298 -11.461 -8.716 1.00 0.69 H new ATOM 932 N ILE A 57 11.073 -7.555 -6.867 1.00 0.42 N ATOM 933 CA ILE A 57 10.177 -6.530 -6.374 1.00 0.39 C ATOM 934 C ILE A 57 10.665 -5.147 -6.776 1.00 0.36 C ATOM 935 O ILE A 57 9.922 -4.369 -7.361 1.00 0.37 O ATOM 936 CB ILE A 57 10.087 -6.609 -4.854 1.00 0.40 C ATOM 937 CG1 ILE A 57 9.632 -8.005 -4.437 1.00 0.48 C ATOM 938 CG2 ILE A 57 9.141 -5.551 -4.324 1.00 0.59 C ATOM 939 CD1 ILE A 57 9.624 -8.216 -2.946 1.00 1.00 C ATOM 0 H ILE A 57 11.642 -8.000 -6.147 1.00 0.42 H new ATOM 0 HA ILE A 57 9.193 -6.697 -6.812 1.00 0.39 H new ATOM 0 HB ILE A 57 11.072 -6.421 -4.427 1.00 0.40 H new ATOM 0 HG12 ILE A 57 8.629 -8.183 -4.826 1.00 0.48 H new ATOM 0 HG13 ILE A 57 10.288 -8.744 -4.897 1.00 0.48 H new ATOM 0 HG21 ILE A 57 9.088 -5.621 -3.238 1.00 0.59 H new ATOM 0 HG22 ILE A 57 9.505 -4.563 -4.606 1.00 0.59 H new ATOM 0 HG23 ILE A 57 8.148 -5.706 -4.746 1.00 0.59 H new ATOM 0 HD11 ILE A 57 9.290 -9.230 -2.724 1.00 1.00 H new ATOM 0 HD12 ILE A 57 10.630 -8.071 -2.553 1.00 1.00 H new ATOM 0 HD13 ILE A 57 8.946 -7.501 -2.481 1.00 1.00 H new ATOM 951 N PHE A 58 11.925 -4.868 -6.465 1.00 0.35 N ATOM 952 CA PHE A 58 12.560 -3.596 -6.788 1.00 0.36 C ATOM 953 C PHE A 58 12.356 -3.246 -8.254 1.00 0.41 C ATOM 954 O PHE A 58 11.975 -2.128 -8.590 1.00 0.44 O ATOM 955 CB PHE A 58 14.055 -3.683 -6.472 1.00 0.38 C ATOM 956 CG PHE A 58 14.847 -2.481 -6.892 1.00 0.52 C ATOM 957 CD1 PHE A 58 14.881 -1.349 -6.101 1.00 1.12 C ATOM 958 CD2 PHE A 58 15.568 -2.490 -8.075 1.00 1.52 C ATOM 959 CE1 PHE A 58 15.617 -0.246 -6.479 1.00 1.16 C ATOM 960 CE2 PHE A 58 16.303 -1.390 -8.459 1.00 1.68 C ATOM 961 CZ PHE A 58 16.328 -0.267 -7.658 1.00 0.93 C ATOM 0 H PHE A 58 12.539 -5.522 -5.979 1.00 0.35 H new ATOM 0 HA PHE A 58 12.103 -2.811 -6.186 1.00 0.36 H new ATOM 0 HB2 PHE A 58 14.179 -3.828 -5.399 1.00 0.38 H new ATOM 0 HB3 PHE A 58 14.467 -4.565 -6.963 1.00 0.38 H new ATOM 0 HD1 PHE A 58 14.325 -1.328 -5.176 1.00 1.12 H new ATOM 0 HD2 PHE A 58 15.554 -3.369 -8.703 1.00 1.52 H new ATOM 0 HE1 PHE A 58 15.636 0.633 -5.851 1.00 1.16 H new ATOM 0 HE2 PHE A 58 16.858 -1.407 -9.385 1.00 1.68 H new ATOM 0 HZ PHE A 58 16.905 0.596 -7.956 1.00 0.93 H new ATOM 971 N GLN A 59 12.598 -4.224 -9.111 1.00 0.45 N ATOM 972 CA GLN A 59 12.432 -4.063 -10.545 1.00 0.52 C ATOM 973 C GLN A 59 10.975 -3.769 -10.881 1.00 0.52 C ATOM 974 O GLN A 59 10.680 -3.019 -11.811 1.00 0.57 O ATOM 975 CB GLN A 59 12.879 -5.331 -11.277 1.00 0.58 C ATOM 976 CG GLN A 59 14.355 -5.679 -11.108 1.00 0.61 C ATOM 977 CD GLN A 59 15.286 -4.528 -11.426 1.00 1.10 C ATOM 978 OE1 GLN A 59 14.974 -3.659 -12.240 1.00 1.92 O ATOM 979 NE2 GLN A 59 16.447 -4.525 -10.790 1.00 1.63 N ATOM 0 H GLN A 59 12.915 -5.152 -8.831 1.00 0.45 H new ATOM 0 HA GLN A 59 13.049 -3.225 -10.869 1.00 0.52 H new ATOM 0 HB2 GLN A 59 12.279 -6.169 -10.922 1.00 0.58 H new ATOM 0 HB3 GLN A 59 12.667 -5.214 -12.340 1.00 0.58 H new ATOM 0 HG2 GLN A 59 14.529 -6.004 -10.082 1.00 0.61 H new ATOM 0 HG3 GLN A 59 14.598 -6.522 -11.755 1.00 0.61 H new ATOM 0 HE21 GLN A 59 16.665 -5.265 -10.123 1.00 1.63 H new ATOM 0 HE22 GLN A 59 17.124 -3.782 -10.967 1.00 1.63 H new ATOM 988 N GLY A 60 10.069 -4.365 -10.110 1.00 0.48 N ATOM 989 CA GLY A 60 8.650 -4.154 -10.326 1.00 0.49 C ATOM 990 C GLY A 60 8.200 -2.760 -9.927 1.00 0.47 C ATOM 991 O GLY A 60 7.209 -2.244 -10.449 1.00 0.53 O ATOM 0 H GLY A 60 10.295 -4.992 -9.338 1.00 0.48 H new ATOM 0 HA2 GLY A 60 8.418 -4.320 -11.378 1.00 0.49 H new ATOM 0 HA3 GLY A 60 8.086 -4.891 -9.755 1.00 0.49 H new ATOM 995 N LEU A 61 8.922 -2.143 -8.998 1.00 0.42 N ATOM 996 CA LEU A 61 8.586 -0.801 -8.553 1.00 0.44 C ATOM 997 C LEU A 61 9.297 0.204 -9.431 1.00 0.51 C ATOM 998 O LEU A 61 8.702 1.184 -9.878 1.00 0.58 O ATOM 999 CB LEU A 61 8.991 -0.575 -7.091 1.00 0.39 C ATOM 1000 CG LEU A 61 9.093 -1.834 -6.238 1.00 0.34 C ATOM 1001 CD1 LEU A 61 9.775 -1.520 -4.921 1.00 0.31 C ATOM 1002 CD2 LEU A 61 7.715 -2.435 -6.000 1.00 0.35 C ATOM 0 H LEU A 61 9.739 -2.550 -8.542 1.00 0.42 H new ATOM 0 HA LEU A 61 7.506 -0.676 -8.627 1.00 0.44 H new ATOM 0 HB2 LEU A 61 9.955 -0.066 -7.073 1.00 0.39 H new ATOM 0 HB3 LEU A 61 8.267 0.097 -6.631 1.00 0.39 H new ATOM 0 HG LEU A 61 9.694 -2.569 -6.774 1.00 0.34 H new ATOM 0 HD11 LEU A 61 9.842 -2.427 -4.321 1.00 0.31 H new ATOM 0 HD12 LEU A 61 10.777 -1.137 -5.113 1.00 0.31 H new ATOM 0 HD13 LEU A 61 9.197 -0.770 -4.382 1.00 0.31 H new ATOM 0 HD21 LEU A 61 7.810 -3.333 -5.389 1.00 0.35 H new ATOM 0 HD22 LEU A 61 7.086 -1.710 -5.484 1.00 0.35 H new ATOM 0 HD23 LEU A 61 7.261 -2.693 -6.956 1.00 0.35 H new ATOM 1014 N ASP A 62 10.572 -0.066 -9.685 1.00 0.50 N ATOM 1015 CA ASP A 62 11.418 0.814 -10.480 1.00 0.59 C ATOM 1016 C ASP A 62 11.013 0.775 -11.945 1.00 0.70 C ATOM 1017 O ASP A 62 11.688 0.181 -12.785 1.00 0.75 O ATOM 1018 CB ASP A 62 12.891 0.427 -10.326 1.00 0.57 C ATOM 1019 CG ASP A 62 13.823 1.323 -11.124 1.00 0.64 C ATOM 1020 OD1 ASP A 62 13.542 2.537 -11.244 1.00 1.40 O ATOM 1021 OD2 ASP A 62 14.843 0.817 -11.635 1.00 1.11 O ATOM 0 H ASP A 62 11.048 -0.902 -9.345 1.00 0.50 H new ATOM 0 HA ASP A 62 11.285 1.832 -10.114 1.00 0.59 H new ATOM 0 HB2 ASP A 62 13.165 0.472 -9.272 1.00 0.57 H new ATOM 0 HB3 ASP A 62 13.026 -0.606 -10.646 1.00 0.57 H new ATOM 1026 N ALA A 63 9.892 1.410 -12.235 1.00 0.78 N ATOM 1027 CA ALA A 63 9.405 1.541 -13.595 1.00 0.94 C ATOM 1028 C ALA A 63 10.297 2.492 -14.376 1.00 1.12 C ATOM 1029 O ALA A 63 10.283 2.517 -15.605 1.00 1.30 O ATOM 1030 CB ALA A 63 7.967 2.036 -13.589 1.00 0.99 C ATOM 0 H ALA A 63 9.294 1.849 -11.535 1.00 0.78 H new ATOM 0 HA ALA A 63 9.431 0.565 -14.080 1.00 0.94 H new ATOM 0 HB1 ALA A 63 7.611 2.131 -14.615 1.00 0.99 H new ATOM 0 HB2 ALA A 63 7.340 1.325 -13.051 1.00 0.99 H new ATOM 0 HB3 ALA A 63 7.919 3.007 -13.097 1.00 0.99 H new ATOM 1036 N ASN A 64 11.093 3.260 -13.641 1.00 1.09 N ATOM 1037 CA ASN A 64 12.012 4.211 -14.242 1.00 1.28 C ATOM 1038 C ASN A 64 13.193 3.471 -14.851 1.00 1.21 C ATOM 1039 O ASN A 64 13.896 3.995 -15.719 1.00 1.37 O ATOM 1040 CB ASN A 64 12.538 5.210 -13.202 1.00 1.34 C ATOM 1041 CG ASN A 64 11.583 5.444 -12.045 1.00 2.03 C ATOM 1042 OD1 ASN A 64 10.699 6.295 -12.114 1.00 2.55 O ATOM 1043 ND2 ASN A 64 11.769 4.697 -10.963 1.00 2.80 N ATOM 0 H ASN A 64 11.118 3.240 -12.622 1.00 1.09 H new ATOM 0 HA ASN A 64 11.469 4.758 -15.013 1.00 1.28 H new ATOM 0 HB2 ASN A 64 13.488 4.847 -12.810 1.00 1.34 H new ATOM 0 HB3 ASN A 64 12.739 6.162 -13.694 1.00 1.34 H new ATOM 0 HD21 ASN A 64 11.166 4.819 -10.149 1.00 2.80 H new ATOM 0 HD22 ASN A 64 12.515 4.001 -10.946 1.00 2.80 H new ATOM 1050 N GLN A 65 13.391 2.239 -14.370 1.00 1.03 N ATOM 1051 CA GLN A 65 14.495 1.381 -14.790 1.00 1.05 C ATOM 1052 C GLN A 65 15.829 2.075 -14.573 1.00 1.04 C ATOM 1053 O GLN A 65 16.770 1.897 -15.346 1.00 1.17 O ATOM 1054 CB GLN A 65 14.343 0.966 -16.254 1.00 1.31 C ATOM 1055 CG GLN A 65 13.122 0.101 -16.520 1.00 1.37 C ATOM 1056 CD GLN A 65 13.025 -0.347 -17.964 1.00 2.03 C ATOM 1057 OE1 GLN A 65 14.166 -0.533 -18.610 1.00 2.72 O flip ATOM 1058 NE2 GLN A 65 11.930 -0.531 -18.493 1.00 2.57 N flip ATOM 0 H GLN A 65 12.783 1.809 -13.673 1.00 1.03 H new ATOM 0 HA GLN A 65 14.469 0.481 -14.176 1.00 1.05 H new ATOM 0 HB2 GLN A 65 14.284 1.862 -16.872 1.00 1.31 H new ATOM 0 HB3 GLN A 65 15.236 0.423 -16.563 1.00 1.31 H new ATOM 0 HG2 GLN A 65 13.155 -0.776 -15.873 1.00 1.37 H new ATOM 0 HG3 GLN A 65 12.223 0.658 -16.256 1.00 1.37 H new ATOM 0 HE21 GLN A 65 11.074 -0.376 -17.960 1.00 2.57 H new ATOM 0 HE22 GLN A 65 11.878 -0.838 -19.464 1.00 2.57 H new ATOM 1067 N ASP A 66 15.906 2.856 -13.506 1.00 0.93 N ATOM 1068 CA ASP A 66 17.093 3.653 -13.233 1.00 0.95 C ATOM 1069 C ASP A 66 17.770 3.180 -11.953 1.00 0.81 C ATOM 1070 O ASP A 66 18.798 3.718 -11.540 1.00 0.82 O ATOM 1071 CB ASP A 66 16.722 5.137 -13.126 1.00 1.06 C ATOM 1072 CG ASP A 66 17.933 6.045 -13.198 1.00 1.42 C ATOM 1073 OD1 ASP A 66 18.617 6.044 -14.243 1.00 2.13 O ATOM 1074 OD2 ASP A 66 18.216 6.759 -12.214 1.00 1.89 O ATOM 0 H ASP A 66 15.162 2.955 -12.816 1.00 0.93 H new ATOM 0 HA ASP A 66 17.794 3.528 -14.059 1.00 0.95 H new ATOM 0 HB2 ASP A 66 16.031 5.394 -13.929 1.00 1.06 H new ATOM 0 HB3 ASP A 66 16.198 5.310 -12.186 1.00 1.06 H new ATOM 1079 N GLU A 67 17.178 2.155 -11.344 1.00 0.73 N ATOM 1080 CA GLU A 67 17.681 1.563 -10.106 1.00 0.63 C ATOM 1081 C GLU A 67 17.503 2.535 -8.942 1.00 0.58 C ATOM 1082 O GLU A 67 18.348 2.633 -8.047 1.00 0.60 O ATOM 1083 CB GLU A 67 19.145 1.127 -10.255 1.00 0.68 C ATOM 1084 CG GLU A 67 19.631 0.208 -9.145 1.00 0.97 C ATOM 1085 CD GLU A 67 21.059 -0.241 -9.352 1.00 1.42 C ATOM 1086 OE1 GLU A 67 21.979 0.469 -8.902 1.00 2.02 O ATOM 1087 OE2 GLU A 67 21.264 -1.306 -9.971 1.00 2.01 O ATOM 0 H GLU A 67 16.331 1.709 -11.697 1.00 0.73 H new ATOM 0 HA GLU A 67 17.098 0.667 -9.891 1.00 0.63 H new ATOM 0 HB2 GLU A 67 19.267 0.620 -11.212 1.00 0.68 H new ATOM 0 HB3 GLU A 67 19.777 2.015 -10.281 1.00 0.68 H new ATOM 0 HG2 GLU A 67 19.550 0.724 -8.188 1.00 0.97 H new ATOM 0 HG3 GLU A 67 18.982 -0.666 -9.091 1.00 0.97 H new ATOM 1094 N GLN A 68 16.386 3.251 -8.963 1.00 0.61 N ATOM 1095 CA GLN A 68 16.027 4.161 -7.884 1.00 0.65 C ATOM 1096 C GLN A 68 14.543 4.016 -7.574 1.00 0.66 C ATOM 1097 O GLN A 68 13.700 4.281 -8.430 1.00 0.78 O ATOM 1098 CB GLN A 68 16.310 5.619 -8.273 1.00 0.85 C ATOM 1099 CG GLN A 68 17.757 5.920 -8.630 1.00 1.38 C ATOM 1100 CD GLN A 68 18.711 5.761 -7.461 1.00 1.63 C ATOM 1101 OE1 GLN A 68 18.336 5.931 -6.301 1.00 2.16 O ATOM 1102 NE2 GLN A 68 19.961 5.454 -7.760 1.00 2.07 N ATOM 0 H GLN A 68 15.707 3.218 -9.724 1.00 0.61 H new ATOM 0 HA GLN A 68 16.628 3.907 -7.010 1.00 0.65 H new ATOM 0 HB2 GLN A 68 15.680 5.881 -9.123 1.00 0.85 H new ATOM 0 HB3 GLN A 68 16.014 6.264 -7.446 1.00 0.85 H new ATOM 0 HG2 GLN A 68 18.070 5.258 -9.437 1.00 1.38 H new ATOM 0 HG3 GLN A 68 17.825 6.940 -9.009 1.00 1.38 H new ATOM 0 HE21 GLN A 68 20.235 5.321 -8.734 1.00 2.07 H new ATOM 0 HE22 GLN A 68 20.652 5.350 -7.017 1.00 2.07 H new ATOM 1111 N VAL A 69 14.219 3.592 -6.363 1.00 0.59 N ATOM 1112 CA VAL A 69 12.833 3.492 -5.952 1.00 0.64 C ATOM 1113 C VAL A 69 12.408 4.721 -5.162 1.00 0.64 C ATOM 1114 O VAL A 69 12.819 4.922 -4.020 1.00 0.68 O ATOM 1115 CB VAL A 69 12.556 2.216 -5.126 1.00 0.72 C ATOM 1116 CG1 VAL A 69 12.488 1.005 -6.039 1.00 1.81 C ATOM 1117 CG2 VAL A 69 13.616 2.012 -4.050 1.00 1.22 C ATOM 0 H VAL A 69 14.895 3.313 -5.652 1.00 0.59 H new ATOM 0 HA VAL A 69 12.242 3.432 -6.866 1.00 0.64 H new ATOM 0 HB VAL A 69 11.594 2.338 -4.628 1.00 0.72 H new ATOM 0 HG11 VAL A 69 12.292 0.112 -5.445 1.00 1.81 H new ATOM 0 HG12 VAL A 69 11.686 1.141 -6.765 1.00 1.81 H new ATOM 0 HG13 VAL A 69 13.437 0.891 -6.564 1.00 1.81 H new ATOM 0 HG21 VAL A 69 13.393 1.106 -3.486 1.00 1.22 H new ATOM 0 HG22 VAL A 69 14.596 1.916 -4.518 1.00 1.22 H new ATOM 0 HG23 VAL A 69 13.619 2.868 -3.375 1.00 1.22 H new ATOM 1127 N ASP A 70 11.592 5.552 -5.790 1.00 0.67 N ATOM 1128 CA ASP A 70 11.029 6.719 -5.128 1.00 0.73 C ATOM 1129 C ASP A 70 9.996 6.274 -4.102 1.00 0.64 C ATOM 1130 O ASP A 70 9.695 5.087 -3.999 1.00 0.56 O ATOM 1131 CB ASP A 70 10.370 7.642 -6.160 1.00 0.84 C ATOM 1132 CG ASP A 70 9.866 8.948 -5.575 1.00 1.38 C ATOM 1133 OD1 ASP A 70 10.681 9.864 -5.353 1.00 1.99 O ATOM 1134 OD2 ASP A 70 8.642 9.064 -5.338 1.00 2.02 O ATOM 0 H ASP A 70 11.303 5.440 -6.762 1.00 0.67 H new ATOM 0 HA ASP A 70 11.828 7.264 -4.625 1.00 0.73 H new ATOM 0 HB2 ASP A 70 11.088 7.861 -6.950 1.00 0.84 H new ATOM 0 HB3 ASP A 70 9.536 7.116 -6.625 1.00 0.84 H new ATOM 1139 N PHE A 71 9.444 7.211 -3.356 1.00 0.70 N ATOM 1140 CA PHE A 71 8.344 6.907 -2.466 1.00 0.66 C ATOM 1141 C PHE A 71 7.172 6.355 -3.274 1.00 0.55 C ATOM 1142 O PHE A 71 6.381 5.569 -2.775 1.00 0.48 O ATOM 1143 CB PHE A 71 7.920 8.155 -1.697 1.00 0.82 C ATOM 1144 CG PHE A 71 8.994 8.714 -0.803 1.00 1.12 C ATOM 1145 CD1 PHE A 71 10.016 9.497 -1.322 1.00 1.92 C ATOM 1146 CD2 PHE A 71 8.974 8.466 0.559 1.00 1.50 C ATOM 1147 CE1 PHE A 71 10.995 10.017 -0.500 1.00 2.17 C ATOM 1148 CE2 PHE A 71 9.952 8.983 1.387 1.00 1.76 C ATOM 1149 CZ PHE A 71 10.964 9.760 0.857 1.00 1.76 C ATOM 0 H PHE A 71 9.740 8.187 -3.349 1.00 0.70 H new ATOM 0 HA PHE A 71 8.666 6.156 -1.744 1.00 0.66 H new ATOM 0 HB2 PHE A 71 7.617 8.923 -2.409 1.00 0.82 H new ATOM 0 HB3 PHE A 71 7.045 7.918 -1.092 1.00 0.82 H new ATOM 0 HD1 PHE A 71 10.045 9.702 -2.382 1.00 1.92 H new ATOM 0 HD2 PHE A 71 8.184 7.861 0.979 1.00 1.50 H new ATOM 0 HE1 PHE A 71 11.785 10.624 -0.917 1.00 2.17 H new ATOM 0 HE2 PHE A 71 9.925 8.780 2.447 1.00 1.76 H new ATOM 0 HZ PHE A 71 11.729 10.166 1.502 1.00 1.76 H new ATOM 1159 N GLN A 72 7.086 6.771 -4.536 1.00 0.59 N ATOM 1160 CA GLN A 72 6.088 6.246 -5.465 1.00 0.56 C ATOM 1161 C GLN A 72 6.341 4.768 -5.745 1.00 0.49 C ATOM 1162 O GLN A 72 5.419 3.954 -5.760 1.00 0.47 O ATOM 1163 CB GLN A 72 6.132 7.028 -6.775 1.00 0.69 C ATOM 1164 CG GLN A 72 5.118 6.552 -7.801 1.00 0.74 C ATOM 1165 CD GLN A 72 5.296 7.215 -9.151 1.00 1.08 C ATOM 1166 OE1 GLN A 72 6.535 7.483 -9.521 1.00 1.66 O flip ATOM 1167 NE2 GLN A 72 4.328 7.450 -9.873 1.00 1.66 N flip ATOM 0 H GLN A 72 7.701 7.476 -4.941 1.00 0.59 H new ATOM 0 HA GLN A 72 5.104 6.355 -5.010 1.00 0.56 H new ATOM 0 HB2 GLN A 72 5.956 8.083 -6.565 1.00 0.69 H new ATOM 0 HB3 GLN A 72 7.132 6.950 -7.202 1.00 0.69 H new ATOM 0 HG2 GLN A 72 5.205 5.472 -7.917 1.00 0.74 H new ATOM 0 HG3 GLN A 72 4.112 6.753 -7.432 1.00 0.74 H new ATOM 0 HE21 GLN A 72 3.386 7.228 -9.551 1.00 1.66 H new ATOM 0 HE22 GLN A 72 4.468 7.866 -10.794 1.00 1.66 H new ATOM 1176 N GLU A 73 7.597 4.429 -5.973 1.00 0.49 N ATOM 1177 CA GLU A 73 7.992 3.044 -6.163 1.00 0.46 C ATOM 1178 C GLU A 73 7.805 2.271 -4.867 1.00 0.36 C ATOM 1179 O GLU A 73 7.563 1.069 -4.862 1.00 0.32 O ATOM 1180 CB GLU A 73 9.444 2.955 -6.628 1.00 0.56 C ATOM 1181 CG GLU A 73 9.663 3.338 -8.088 1.00 0.78 C ATOM 1182 CD GLU A 73 9.528 4.819 -8.365 1.00 1.15 C ATOM 1183 OE1 GLU A 73 8.396 5.300 -8.556 1.00 1.99 O ATOM 1184 OE2 GLU A 73 10.565 5.504 -8.425 1.00 1.82 O ATOM 0 H GLU A 73 8.365 5.098 -6.031 1.00 0.49 H new ATOM 0 HA GLU A 73 7.360 2.604 -6.935 1.00 0.46 H new ATOM 0 HB2 GLU A 73 10.054 3.604 -6.000 1.00 0.56 H new ATOM 0 HB3 GLU A 73 9.800 1.936 -6.475 1.00 0.56 H new ATOM 0 HG2 GLU A 73 10.657 3.011 -8.393 1.00 0.78 H new ATOM 0 HG3 GLU A 73 8.946 2.797 -8.706 1.00 0.78 H new ATOM 1191 N PHE A 74 7.912 2.981 -3.763 1.00 0.37 N ATOM 1192 CA PHE A 74 7.643 2.407 -2.464 1.00 0.34 C ATOM 1193 C PHE A 74 6.137 2.207 -2.280 1.00 0.32 C ATOM 1194 O PHE A 74 5.704 1.333 -1.529 1.00 0.33 O ATOM 1195 CB PHE A 74 8.224 3.308 -1.373 1.00 0.43 C ATOM 1196 CG PHE A 74 7.962 2.827 0.025 1.00 0.78 C ATOM 1197 CD1 PHE A 74 8.580 1.683 0.503 1.00 1.31 C ATOM 1198 CD2 PHE A 74 7.104 3.522 0.860 1.00 1.44 C ATOM 1199 CE1 PHE A 74 8.346 1.241 1.790 1.00 1.77 C ATOM 1200 CE2 PHE A 74 6.866 3.084 2.147 1.00 1.92 C ATOM 1201 CZ PHE A 74 7.489 1.942 2.612 1.00 1.89 C ATOM 0 H PHE A 74 8.185 3.963 -3.742 1.00 0.37 H new ATOM 0 HA PHE A 74 8.121 1.430 -2.390 1.00 0.34 H new ATOM 0 HB2 PHE A 74 9.301 3.391 -1.521 1.00 0.43 H new ATOM 0 HB3 PHE A 74 7.809 4.310 -1.485 1.00 0.43 H new ATOM 0 HD1 PHE A 74 9.252 1.131 -0.138 1.00 1.31 H new ATOM 0 HD2 PHE A 74 6.616 4.416 0.501 1.00 1.44 H new ATOM 0 HE1 PHE A 74 8.833 0.348 2.152 1.00 1.77 H new ATOM 0 HE2 PHE A 74 6.194 3.633 2.790 1.00 1.92 H new ATOM 0 HZ PHE A 74 7.305 1.598 3.619 1.00 1.89 H new ATOM 1211 N ILE A 75 5.348 3.004 -2.995 1.00 0.33 N ATOM 1212 CA ILE A 75 3.909 2.846 -3.017 1.00 0.35 C ATOM 1213 C ILE A 75 3.559 1.484 -3.602 1.00 0.34 C ATOM 1214 O ILE A 75 2.722 0.755 -3.064 1.00 0.36 O ATOM 1215 CB ILE A 75 3.247 3.978 -3.838 1.00 0.41 C ATOM 1216 CG1 ILE A 75 2.549 4.966 -2.929 1.00 0.49 C ATOM 1217 CG2 ILE A 75 2.263 3.443 -4.864 1.00 0.45 C ATOM 1218 CD1 ILE A 75 3.480 5.802 -2.099 1.00 0.67 C ATOM 0 H ILE A 75 5.692 3.772 -3.571 1.00 0.33 H new ATOM 0 HA ILE A 75 3.528 2.907 -1.998 1.00 0.35 H new ATOM 0 HB ILE A 75 4.049 4.485 -4.375 1.00 0.41 H new ATOM 0 HG12 ILE A 75 1.929 5.626 -3.536 1.00 0.49 H new ATOM 0 HG13 ILE A 75 1.878 4.421 -2.265 1.00 0.49 H new ATOM 0 HG21 ILE A 75 1.824 4.275 -5.415 1.00 0.45 H new ATOM 0 HG22 ILE A 75 2.783 2.782 -5.557 1.00 0.45 H new ATOM 0 HG23 ILE A 75 1.474 2.888 -4.357 1.00 0.45 H new ATOM 0 HD11 ILE A 75 2.900 6.483 -1.476 1.00 0.67 H new ATOM 0 HD12 ILE A 75 4.083 5.153 -1.463 1.00 0.67 H new ATOM 0 HD13 ILE A 75 4.134 6.377 -2.754 1.00 0.67 H new ATOM 1230 N SER A 76 4.229 1.134 -4.695 1.00 0.34 N ATOM 1231 CA SER A 76 4.004 -0.143 -5.332 1.00 0.36 C ATOM 1232 C SER A 76 4.637 -1.269 -4.521 1.00 0.31 C ATOM 1233 O SER A 76 4.156 -2.396 -4.538 1.00 0.33 O ATOM 1234 CB SER A 76 4.523 -0.126 -6.771 1.00 0.45 C ATOM 1235 OG SER A 76 5.714 0.631 -6.882 1.00 0.74 O ATOM 0 H SER A 76 4.928 1.720 -5.151 1.00 0.34 H new ATOM 0 HA SER A 76 2.930 -0.328 -5.370 1.00 0.36 H new ATOM 0 HB2 SER A 76 4.707 -1.147 -7.105 1.00 0.45 H new ATOM 0 HB3 SER A 76 3.761 0.293 -7.429 1.00 0.45 H new ATOM 0 HG SER A 76 6.232 0.550 -6.054 1.00 0.74 H new ATOM 1241 N LEU A 77 5.699 -0.956 -3.792 1.00 0.28 N ATOM 1242 CA LEU A 77 6.321 -1.924 -2.895 1.00 0.26 C ATOM 1243 C LEU A 77 5.305 -2.411 -1.869 1.00 0.23 C ATOM 1244 O LEU A 77 5.161 -3.611 -1.641 1.00 0.23 O ATOM 1245 CB LEU A 77 7.546 -1.291 -2.206 1.00 0.30 C ATOM 1246 CG LEU A 77 8.284 -2.147 -1.158 1.00 0.38 C ATOM 1247 CD1 LEU A 77 7.585 -2.101 0.196 1.00 1.11 C ATOM 1248 CD2 LEU A 77 8.422 -3.583 -1.639 1.00 1.15 C ATOM 0 H LEU A 77 6.149 -0.041 -3.803 1.00 0.28 H new ATOM 0 HA LEU A 77 6.661 -2.784 -3.471 1.00 0.26 H new ATOM 0 HB2 LEU A 77 8.262 -1.012 -2.979 1.00 0.30 H new ATOM 0 HB3 LEU A 77 7.223 -0.369 -1.723 1.00 0.30 H new ATOM 0 HG LEU A 77 9.281 -1.725 -1.031 1.00 0.38 H new ATOM 0 HD11 LEU A 77 8.133 -2.716 0.910 1.00 1.11 H new ATOM 0 HD12 LEU A 77 7.552 -1.072 0.554 1.00 1.11 H new ATOM 0 HD13 LEU A 77 6.569 -2.482 0.094 1.00 1.11 H new ATOM 0 HD21 LEU A 77 8.946 -4.171 -0.885 1.00 1.15 H new ATOM 0 HD22 LEU A 77 7.432 -4.007 -1.807 1.00 1.15 H new ATOM 0 HD23 LEU A 77 8.987 -3.602 -2.571 1.00 1.15 H new ATOM 1260 N VAL A 78 4.593 -1.475 -1.265 1.00 0.24 N ATOM 1261 CA VAL A 78 3.597 -1.817 -0.268 1.00 0.25 C ATOM 1262 C VAL A 78 2.424 -2.532 -0.919 1.00 0.27 C ATOM 1263 O VAL A 78 1.759 -3.341 -0.290 1.00 0.28 O ATOM 1264 CB VAL A 78 3.102 -0.578 0.490 1.00 0.29 C ATOM 1265 CG1 VAL A 78 2.132 -0.977 1.586 1.00 0.33 C ATOM 1266 CG2 VAL A 78 4.283 0.186 1.063 1.00 0.31 C ATOM 0 H VAL A 78 4.687 -0.476 -1.448 1.00 0.24 H new ATOM 0 HA VAL A 78 4.070 -2.482 0.454 1.00 0.25 H new ATOM 0 HB VAL A 78 2.573 0.074 -0.206 1.00 0.29 H new ATOM 0 HG11 VAL A 78 1.792 -0.086 2.113 1.00 0.33 H new ATOM 0 HG12 VAL A 78 1.276 -1.488 1.146 1.00 0.33 H new ATOM 0 HG13 VAL A 78 2.631 -1.645 2.288 1.00 0.33 H new ATOM 0 HG21 VAL A 78 3.923 1.064 1.599 1.00 0.31 H new ATOM 0 HG22 VAL A 78 4.834 -0.457 1.749 1.00 0.31 H new ATOM 0 HG23 VAL A 78 4.941 0.501 0.253 1.00 0.31 H new ATOM 1276 N ALA A 79 2.182 -2.234 -2.185 1.00 0.31 N ATOM 1277 CA ALA A 79 1.201 -2.971 -2.965 1.00 0.35 C ATOM 1278 C ALA A 79 1.576 -4.453 -2.990 1.00 0.33 C ATOM 1279 O ALA A 79 0.764 -5.328 -2.687 1.00 0.33 O ATOM 1280 CB ALA A 79 1.137 -2.408 -4.377 1.00 0.43 C ATOM 0 H ALA A 79 2.652 -1.486 -2.695 1.00 0.31 H new ATOM 0 HA ALA A 79 0.217 -2.867 -2.508 1.00 0.35 H new ATOM 0 HB1 ALA A 79 0.400 -2.964 -4.957 1.00 0.43 H new ATOM 0 HB2 ALA A 79 0.850 -1.357 -4.337 1.00 0.43 H new ATOM 0 HB3 ALA A 79 2.115 -2.499 -4.850 1.00 0.43 H new ATOM 1286 N ILE A 80 2.832 -4.708 -3.329 1.00 0.32 N ATOM 1287 CA ILE A 80 3.404 -6.052 -3.298 1.00 0.32 C ATOM 1288 C ILE A 80 3.261 -6.661 -1.905 1.00 0.28 C ATOM 1289 O ILE A 80 2.917 -7.832 -1.750 1.00 0.31 O ATOM 1290 CB ILE A 80 4.911 -6.020 -3.693 1.00 0.34 C ATOM 1291 CG1 ILE A 80 5.103 -6.034 -5.215 1.00 0.38 C ATOM 1292 CG2 ILE A 80 5.681 -7.171 -3.055 1.00 0.36 C ATOM 1293 CD1 ILE A 80 4.396 -4.918 -5.949 1.00 0.40 C ATOM 0 H ILE A 80 3.487 -3.988 -3.635 1.00 0.32 H new ATOM 0 HA ILE A 80 2.860 -6.664 -4.018 1.00 0.32 H new ATOM 0 HB ILE A 80 5.314 -5.082 -3.310 1.00 0.34 H new ATOM 0 HG12 ILE A 80 6.169 -5.977 -5.434 1.00 0.38 H new ATOM 0 HG13 ILE A 80 4.749 -6.989 -5.604 1.00 0.38 H new ATOM 0 HG21 ILE A 80 6.728 -7.117 -3.352 1.00 0.36 H new ATOM 0 HG22 ILE A 80 5.608 -7.100 -1.970 1.00 0.36 H new ATOM 0 HG23 ILE A 80 5.258 -8.119 -3.386 1.00 0.36 H new ATOM 0 HD11 ILE A 80 4.587 -5.007 -7.018 1.00 0.40 H new ATOM 0 HD12 ILE A 80 3.324 -4.984 -5.766 1.00 0.40 H new ATOM 0 HD13 ILE A 80 4.766 -3.957 -5.593 1.00 0.40 H new ATOM 1305 N ALA A 81 3.510 -5.841 -0.900 1.00 0.23 N ATOM 1306 CA ALA A 81 3.537 -6.284 0.483 1.00 0.23 C ATOM 1307 C ALA A 81 2.142 -6.610 1.021 1.00 0.23 C ATOM 1308 O ALA A 81 1.969 -7.580 1.754 1.00 0.28 O ATOM 1309 CB ALA A 81 4.214 -5.228 1.327 1.00 0.24 C ATOM 0 H ALA A 81 3.700 -4.846 -1.020 1.00 0.23 H new ATOM 0 HA ALA A 81 4.104 -7.213 0.533 1.00 0.23 H new ATOM 0 HB1 ALA A 81 4.238 -5.554 2.367 1.00 0.24 H new ATOM 0 HB2 ALA A 81 5.233 -5.076 0.971 1.00 0.24 H new ATOM 0 HB3 ALA A 81 3.660 -4.292 1.253 1.00 0.24 H new ATOM 1315 N LEU A 82 1.153 -5.801 0.659 1.00 0.22 N ATOM 1316 CA LEU A 82 -0.231 -6.055 1.047 1.00 0.23 C ATOM 1317 C LEU A 82 -0.715 -7.344 0.415 1.00 0.24 C ATOM 1318 O LEU A 82 -1.406 -8.151 1.043 1.00 0.29 O ATOM 1319 CB LEU A 82 -1.135 -4.921 0.592 1.00 0.25 C ATOM 1320 CG LEU A 82 -0.858 -3.562 1.208 1.00 0.26 C ATOM 1321 CD1 LEU A 82 -1.713 -2.525 0.527 1.00 0.33 C ATOM 1322 CD2 LEU A 82 -1.122 -3.579 2.707 1.00 0.31 C ATOM 0 H LEU A 82 1.284 -4.961 0.096 1.00 0.22 H new ATOM 0 HA LEU A 82 -0.269 -6.132 2.134 1.00 0.23 H new ATOM 0 HB2 LEU A 82 -1.054 -4.830 -0.491 1.00 0.25 H new ATOM 0 HB3 LEU A 82 -2.167 -5.194 0.813 1.00 0.25 H new ATOM 0 HG LEU A 82 0.193 -3.313 1.064 1.00 0.26 H new ATOM 0 HD11 LEU A 82 -1.518 -1.547 0.966 1.00 0.33 H new ATOM 0 HD12 LEU A 82 -1.476 -2.499 -0.537 1.00 0.33 H new ATOM 0 HD13 LEU A 82 -2.765 -2.778 0.658 1.00 0.33 H new ATOM 0 HD21 LEU A 82 -0.916 -2.593 3.124 1.00 0.31 H new ATOM 0 HD22 LEU A 82 -2.164 -3.840 2.890 1.00 0.31 H new ATOM 0 HD23 LEU A 82 -0.475 -4.316 3.182 1.00 0.31 H new ATOM 1334 N LYS A 83 -0.348 -7.520 -0.844 1.00 0.26 N ATOM 1335 CA LYS A 83 -0.673 -8.731 -1.568 1.00 0.33 C ATOM 1336 C LYS A 83 0.063 -9.903 -0.936 1.00 0.31 C ATOM 1337 O LYS A 83 -0.439 -11.006 -0.884 1.00 0.44 O ATOM 1338 CB LYS A 83 -0.284 -8.585 -3.038 1.00 0.42 C ATOM 1339 CG LYS A 83 -1.215 -9.313 -3.985 1.00 0.66 C ATOM 1340 CD LYS A 83 -2.638 -8.813 -3.858 1.00 1.04 C ATOM 1341 CE LYS A 83 -3.603 -9.719 -4.583 1.00 0.80 C ATOM 1342 NZ LYS A 83 -3.378 -9.726 -6.055 1.00 1.67 N ATOM 0 H LYS A 83 0.178 -6.834 -1.385 1.00 0.26 H new ATOM 0 HA LYS A 83 -1.747 -8.911 -1.516 1.00 0.33 H new ATOM 0 HB2 LYS A 83 -0.269 -7.527 -3.298 1.00 0.42 H new ATOM 0 HB3 LYS A 83 0.729 -8.962 -3.176 1.00 0.42 H new ATOM 0 HG2 LYS A 83 -0.871 -9.178 -5.010 1.00 0.66 H new ATOM 0 HG3 LYS A 83 -1.184 -10.382 -3.777 1.00 0.66 H new ATOM 0 HD2 LYS A 83 -2.912 -8.754 -2.805 1.00 1.04 H new ATOM 0 HD3 LYS A 83 -2.709 -7.804 -4.263 1.00 1.04 H new ATOM 0 HE2 LYS A 83 -3.503 -10.734 -4.198 1.00 0.80 H new ATOM 0 HE3 LYS A 83 -4.624 -9.398 -4.376 1.00 0.80 H new ATOM 0 HZ1 LYS A 83 -4.154 -10.238 -6.522 1.00 1.67 H new ATOM 0 HZ2 LYS A 83 -3.347 -8.748 -6.406 1.00 1.67 H new ATOM 0 HZ3 LYS A 83 -2.476 -10.198 -6.266 1.00 1.67 H new ATOM 1356 N ALA A 84 1.254 -9.647 -0.432 1.00 0.31 N ATOM 1357 CA ALA A 84 2.013 -10.667 0.268 1.00 0.35 C ATOM 1358 C ALA A 84 1.373 -11.000 1.614 1.00 0.33 C ATOM 1359 O ALA A 84 1.602 -12.070 2.168 1.00 0.40 O ATOM 1360 CB ALA A 84 3.448 -10.217 0.463 1.00 0.48 C ATOM 0 H ALA A 84 1.718 -8.741 -0.494 1.00 0.31 H new ATOM 0 HA ALA A 84 2.008 -11.570 -0.342 1.00 0.35 H new ATOM 0 HB1 ALA A 84 4.004 -10.993 0.989 1.00 0.48 H new ATOM 0 HB2 ALA A 84 3.908 -10.037 -0.509 1.00 0.48 H new ATOM 0 HB3 ALA A 84 3.465 -9.298 1.049 1.00 0.48 H new ATOM 1366 N ALA A 85 0.590 -10.069 2.145 1.00 0.30 N ATOM 1367 CA ALA A 85 -0.075 -10.264 3.427 1.00 0.38 C ATOM 1368 C ALA A 85 -1.381 -11.050 3.278 1.00 0.44 C ATOM 1369 O ALA A 85 -1.534 -12.124 3.857 1.00 0.57 O ATOM 1370 CB ALA A 85 -0.328 -8.921 4.091 1.00 0.43 C ATOM 0 H ALA A 85 0.400 -9.168 1.706 1.00 0.30 H new ATOM 0 HA ALA A 85 0.586 -10.856 4.061 1.00 0.38 H new ATOM 0 HB1 ALA A 85 -0.825 -9.076 5.048 1.00 0.43 H new ATOM 0 HB2 ALA A 85 0.621 -8.411 4.254 1.00 0.43 H new ATOM 0 HB3 ALA A 85 -0.962 -8.311 3.448 1.00 0.43 H new ATOM 1376 N HIS A 86 -2.326 -10.518 2.505 1.00 0.44 N ATOM 1377 CA HIS A 86 -3.618 -11.188 2.313 1.00 0.59 C ATOM 1378 C HIS A 86 -3.489 -12.343 1.324 1.00 0.63 C ATOM 1379 O HIS A 86 -3.981 -13.443 1.557 1.00 0.72 O ATOM 1380 CB HIS A 86 -4.699 -10.185 1.846 1.00 0.69 C ATOM 1381 CG HIS A 86 -5.653 -10.730 0.811 1.00 1.28 C ATOM 1382 ND1 HIS A 86 -6.758 -11.490 1.128 1.00 2.06 N ATOM 1383 CD2 HIS A 86 -5.632 -10.653 -0.543 1.00 2.11 C ATOM 1384 CE1 HIS A 86 -7.370 -11.861 0.018 1.00 2.66 C ATOM 1385 NE2 HIS A 86 -6.709 -11.365 -1.008 1.00 2.68 N ATOM 0 H HIS A 86 -2.227 -9.635 2.005 1.00 0.44 H new ATOM 0 HA HIS A 86 -3.930 -11.596 3.274 1.00 0.59 H new ATOM 0 HB2 HIS A 86 -5.272 -9.858 2.714 1.00 0.69 H new ATOM 0 HB3 HIS A 86 -4.206 -9.302 1.438 1.00 0.69 H new ATOM 0 HD2 HIS A 86 -4.903 -10.129 -1.143 1.00 2.11 H new ATOM 0 HE1 HIS A 86 -8.261 -12.468 -0.039 1.00 2.66 H new ATOM 0 HE2 HIS A 86 -6.958 -11.490 -1.989 1.00 2.68 H new ATOM 1394 N TYR A 87 -2.825 -12.059 0.227 1.00 0.58 N ATOM 1395 CA TYR A 87 -2.619 -13.012 -0.857 1.00 0.65 C ATOM 1396 C TYR A 87 -1.371 -13.851 -0.573 1.00 0.62 C ATOM 1397 O TYR A 87 -0.672 -14.265 -1.494 1.00 0.66 O ATOM 1398 CB TYR A 87 -2.539 -12.294 -2.212 1.00 0.69 C ATOM 1399 CG TYR A 87 -2.689 -13.198 -3.418 1.00 0.87 C ATOM 1400 CD1 TYR A 87 -3.856 -13.922 -3.628 1.00 1.44 C ATOM 1401 CD2 TYR A 87 -1.665 -13.321 -4.349 1.00 1.62 C ATOM 1402 CE1 TYR A 87 -3.997 -14.745 -4.729 1.00 1.55 C ATOM 1403 CE2 TYR A 87 -1.799 -14.139 -5.454 1.00 1.80 C ATOM 1404 CZ TYR A 87 -2.966 -14.849 -5.640 1.00 1.29 C ATOM 1405 OH TYR A 87 -3.101 -15.668 -6.739 1.00 1.52 O ATOM 0 H TYR A 87 -2.403 -11.147 0.053 1.00 0.58 H new ATOM 0 HA TYR A 87 -3.474 -13.686 -0.912 1.00 0.65 H new ATOM 0 HB2 TYR A 87 -3.315 -11.530 -2.249 1.00 0.69 H new ATOM 0 HB3 TYR A 87 -1.581 -11.778 -2.278 1.00 0.69 H new ATOM 0 HD1 TYR A 87 -4.666 -13.840 -2.919 1.00 1.44 H new ATOM 0 HD2 TYR A 87 -0.749 -12.768 -4.206 1.00 1.62 H new ATOM 0 HE1 TYR A 87 -4.909 -15.304 -4.876 1.00 1.55 H new ATOM 0 HE2 TYR A 87 -0.994 -14.222 -6.169 1.00 1.80 H new ATOM 0 HH TYR A 87 -2.285 -15.626 -7.280 1.00 1.52 H new ATOM 1415 N HIS A 88 -1.044 -13.951 0.728 1.00 0.59 N ATOM 1416 CA HIS A 88 0.128 -14.675 1.282 1.00 0.62 C ATOM 1417 C HIS A 88 0.309 -16.116 0.744 1.00 0.69 C ATOM 1418 O HIS A 88 1.038 -16.917 1.324 1.00 0.75 O ATOM 1419 CB HIS A 88 -0.012 -14.712 2.814 1.00 0.65 C ATOM 1420 CG HIS A 88 1.250 -15.027 3.566 1.00 1.54 C ATOM 1421 ND1 HIS A 88 2.233 -14.093 3.802 1.00 2.37 N ATOM 1422 CD2 HIS A 88 1.671 -16.167 4.167 1.00 2.40 C ATOM 1423 CE1 HIS A 88 3.200 -14.640 4.514 1.00 3.25 C ATOM 1424 NE2 HIS A 88 2.884 -15.898 4.749 1.00 3.26 N ATOM 0 H HIS A 88 -1.608 -13.514 1.457 1.00 0.59 H new ATOM 0 HA HIS A 88 1.017 -14.131 0.962 1.00 0.62 H new ATOM 0 HB2 HIS A 88 -0.385 -13.745 3.152 1.00 0.65 H new ATOM 0 HB3 HIS A 88 -0.766 -15.454 3.076 1.00 0.65 H new ATOM 0 HD1 HIS A 88 2.217 -13.126 3.477 1.00 2.37 H new ATOM 0 HD2 HIS A 88 1.148 -17.112 4.184 1.00 2.40 H new ATOM 0 HE1 HIS A 88 4.098 -14.142 4.848 1.00 3.25 H new ATOM 1433 N THR A 89 -0.323 -16.426 -0.369 1.00 0.73 N ATOM 1434 CA THR A 89 -0.122 -17.681 -1.070 1.00 0.81 C ATOM 1435 C THR A 89 1.139 -17.571 -1.932 1.00 0.72 C ATOM 1436 O THR A 89 1.376 -18.377 -2.833 1.00 1.05 O ATOM 1437 CB THR A 89 -1.344 -17.986 -1.960 1.00 0.97 C ATOM 1438 OG1 THR A 89 -1.259 -19.306 -2.513 1.00 1.26 O ATOM 1439 CG2 THR A 89 -1.466 -16.959 -3.083 1.00 0.89 C ATOM 0 H THR A 89 -0.998 -15.808 -0.819 1.00 0.73 H new ATOM 0 HA THR A 89 -0.004 -18.491 -0.350 1.00 0.81 H new ATOM 0 HB THR A 89 -2.234 -17.928 -1.333 1.00 0.97 H new ATOM 0 HG1 THR A 89 -0.362 -19.450 -2.880 1.00 1.26 H new ATOM 0 HG21 THR A 89 -2.335 -17.194 -3.698 1.00 0.89 H new ATOM 0 HG22 THR A 89 -1.583 -15.964 -2.655 1.00 0.89 H new ATOM 0 HG23 THR A 89 -0.567 -16.985 -3.699 1.00 0.89 H new ATOM 1447 N HIS A 90 1.930 -16.545 -1.614 1.00 0.65 N ATOM 1448 CA HIS A 90 3.131 -16.166 -2.348 1.00 0.64 C ATOM 1449 C HIS A 90 2.737 -15.358 -3.561 1.00 0.93 C ATOM 1450 O HIS A 90 2.600 -15.891 -4.664 1.00 1.77 O ATOM 1451 CB HIS A 90 4.009 -17.344 -2.781 1.00 0.91 C ATOM 1452 CG HIS A 90 4.428 -18.258 -1.668 1.00 1.72 C ATOM 1453 ND1 HIS A 90 4.222 -19.620 -1.703 1.00 2.44 N ATOM 1454 CD2 HIS A 90 5.055 -18.007 -0.496 1.00 2.68 C ATOM 1455 CE1 HIS A 90 4.698 -20.165 -0.602 1.00 3.33 C ATOM 1456 NE2 HIS A 90 5.209 -19.209 0.147 1.00 3.47 N ATOM 0 H HIS A 90 1.744 -15.939 -0.815 1.00 0.65 H new ATOM 0 HA HIS A 90 3.738 -15.580 -1.657 1.00 0.64 H new ATOM 0 HB2 HIS A 90 3.469 -17.927 -3.527 1.00 0.91 H new ATOM 0 HB3 HIS A 90 4.903 -16.953 -3.268 1.00 0.91 H new ATOM 0 HD2 HIS A 90 5.375 -17.041 -0.134 1.00 2.68 H new ATOM 0 HE1 HIS A 90 4.674 -21.216 -0.355 1.00 3.33 H new ATOM 0 HE2 HIS A 90 5.648 -19.341 1.058 1.00 3.47 H new ATOM 1578 N GLU B 5 5.727 -5.078 10.702 1.00 1.20 N ATOM 1579 CA GLU B 5 5.004 -5.867 9.708 1.00 0.94 C ATOM 1580 C GLU B 5 3.502 -5.808 9.979 1.00 0.69 C ATOM 1581 O GLU B 5 2.680 -6.140 9.121 1.00 0.69 O ATOM 1582 CB GLU B 5 5.501 -7.319 9.739 1.00 1.39 C ATOM 1583 CG GLU B 5 5.355 -7.978 11.103 1.00 1.80 C ATOM 1584 CD GLU B 5 6.006 -9.343 11.179 1.00 2.48 C ATOM 1585 OE1 GLU B 5 5.454 -10.310 10.611 1.00 3.00 O ATOM 1586 OE2 GLU B 5 7.071 -9.459 11.823 1.00 3.10 O ATOM 0 HA GLU B 5 5.190 -5.453 8.717 1.00 0.94 H new ATOM 0 HB2 GLU B 5 4.948 -7.901 9.002 1.00 1.39 H new ATOM 0 HB3 GLU B 5 6.550 -7.343 9.442 1.00 1.39 H new ATOM 0 HG2 GLU B 5 5.795 -7.330 11.861 1.00 1.80 H new ATOM 0 HG3 GLU B 5 4.296 -8.074 11.341 1.00 1.80 H new ATOM 1593 N GLU B 6 3.163 -5.350 11.182 1.00 0.68 N ATOM 1594 CA GLU B 6 1.779 -5.169 11.600 1.00 0.67 C ATOM 1595 C GLU B 6 1.080 -4.134 10.718 1.00 0.54 C ATOM 1596 O GLU B 6 -0.144 -4.074 10.662 1.00 0.60 O ATOM 1597 CB GLU B 6 1.737 -4.715 13.062 1.00 0.78 C ATOM 1598 CG GLU B 6 0.370 -4.839 13.709 1.00 1.06 C ATOM 1599 CD GLU B 6 -0.069 -6.278 13.855 1.00 1.78 C ATOM 1600 OE1 GLU B 6 0.570 -7.019 14.628 1.00 2.51 O ATOM 1601 OE2 GLU B 6 -1.049 -6.677 13.197 1.00 2.48 O ATOM 0 H GLU B 6 3.845 -5.094 11.896 1.00 0.68 H new ATOM 0 HA GLU B 6 1.258 -6.121 11.498 1.00 0.67 H new ATOM 0 HB2 GLU B 6 2.453 -5.304 13.635 1.00 0.78 H new ATOM 0 HB3 GLU B 6 2.061 -3.676 13.118 1.00 0.78 H new ATOM 0 HG2 GLU B 6 0.392 -4.367 14.691 1.00 1.06 H new ATOM 0 HG3 GLU B 6 -0.363 -4.297 13.111 1.00 1.06 H new ATOM 1608 N HIS B 7 1.866 -3.317 10.029 1.00 0.42 N ATOM 1609 CA HIS B 7 1.315 -2.280 9.174 1.00 0.38 C ATOM 1610 C HIS B 7 0.680 -2.892 7.932 1.00 0.35 C ATOM 1611 O HIS B 7 -0.464 -2.584 7.608 1.00 0.39 O ATOM 1612 CB HIS B 7 2.392 -1.262 8.785 1.00 0.43 C ATOM 1613 CG HIS B 7 2.809 -0.364 9.914 1.00 0.95 C ATOM 1614 ND1 HIS B 7 3.399 -0.647 11.102 1.00 1.73 N flip ATOM 1615 CD2 HIS B 7 2.628 1.001 9.899 1.00 1.60 C flip ATOM 1616 CE1 HIS B 7 3.561 0.538 11.774 1.00 2.16 C flip ATOM 1617 NE2 HIS B 7 3.089 1.516 11.025 1.00 2.03 N flip ATOM 0 H HIS B 7 2.885 -3.354 10.047 1.00 0.42 H new ATOM 0 HA HIS B 7 0.541 -1.755 9.733 1.00 0.38 H new ATOM 0 HB2 HIS B 7 3.267 -1.796 8.415 1.00 0.43 H new ATOM 0 HB3 HIS B 7 2.021 -0.650 7.963 1.00 0.43 H new ATOM 0 HD1 HIS B 7 3.672 -1.572 11.435 1.00 1.73 H new ATOM 0 HD2 HIS B 7 2.179 1.563 9.093 1.00 1.60 H new ATOM 0 HE1 HIS B 7 4.002 0.651 12.753 1.00 2.16 H new ATOM 1626 N LEU B 8 1.414 -3.776 7.259 1.00 0.34 N ATOM 1627 CA LEU B 8 0.921 -4.426 6.045 1.00 0.33 C ATOM 1628 C LEU B 8 -0.297 -5.283 6.336 1.00 0.34 C ATOM 1629 O LEU B 8 -1.385 -5.040 5.806 1.00 0.34 O ATOM 1630 CB LEU B 8 2.005 -5.310 5.452 1.00 0.33 C ATOM 1631 CG LEU B 8 3.315 -4.598 5.147 1.00 0.33 C ATOM 1632 CD1 LEU B 8 4.337 -5.585 4.637 1.00 0.33 C ATOM 1633 CD2 LEU B 8 3.097 -3.474 4.146 1.00 0.33 C ATOM 0 H LEU B 8 2.354 -4.059 7.534 1.00 0.34 H new ATOM 0 HA LEU B 8 0.644 -3.642 5.340 1.00 0.33 H new ATOM 0 HB2 LEU B 8 2.205 -6.128 6.144 1.00 0.33 H new ATOM 0 HB3 LEU B 8 1.627 -5.756 4.532 1.00 0.33 H new ATOM 0 HG LEU B 8 3.694 -4.155 6.068 1.00 0.33 H new ATOM 0 HD11 LEU B 8 5.270 -5.064 4.422 1.00 0.33 H new ATOM 0 HD12 LEU B 8 4.514 -6.349 5.394 1.00 0.33 H new ATOM 0 HD13 LEU B 8 3.966 -6.055 3.726 1.00 0.33 H new ATOM 0 HD21 LEU B 8 4.046 -2.979 3.943 1.00 0.33 H new ATOM 0 HD22 LEU B 8 2.696 -3.885 3.219 1.00 0.33 H new ATOM 0 HD23 LEU B 8 2.392 -2.752 4.558 1.00 0.33 H new ATOM 1645 N GLU B 9 -0.112 -6.275 7.197 1.00 0.37 N ATOM 1646 CA GLU B 9 -1.189 -7.179 7.559 1.00 0.40 C ATOM 1647 C GLU B 9 -2.290 -6.415 8.275 1.00 0.40 C ATOM 1648 O GLU B 9 -3.440 -6.840 8.310 1.00 0.42 O ATOM 1649 CB GLU B 9 -0.671 -8.315 8.439 1.00 0.48 C ATOM 1650 CG GLU B 9 0.389 -9.174 7.766 1.00 1.24 C ATOM 1651 CD GLU B 9 0.766 -10.382 8.595 1.00 1.72 C ATOM 1652 OE1 GLU B 9 0.098 -11.431 8.455 1.00 2.16 O ATOM 1653 OE2 GLU B 9 1.719 -10.290 9.394 1.00 2.41 O ATOM 0 H GLU B 9 0.777 -6.472 7.657 1.00 0.37 H new ATOM 0 HA GLU B 9 -1.596 -7.615 6.647 1.00 0.40 H new ATOM 0 HB2 GLU B 9 -0.257 -7.894 9.355 1.00 0.48 H new ATOM 0 HB3 GLU B 9 -1.509 -8.949 8.730 1.00 0.48 H new ATOM 0 HG2 GLU B 9 0.022 -9.504 6.794 1.00 1.24 H new ATOM 0 HG3 GLU B 9 1.278 -8.571 7.583 1.00 1.24 H new ATOM 1660 N GLY B 10 -1.918 -5.277 8.838 1.00 0.41 N ATOM 1661 CA GLY B 10 -2.867 -4.430 9.514 1.00 0.43 C ATOM 1662 C GLY B 10 -3.796 -3.718 8.557 1.00 0.39 C ATOM 1663 O GLY B 10 -4.967 -3.535 8.861 1.00 0.44 O ATOM 0 H GLY B 10 -0.961 -4.924 8.836 1.00 0.41 H new ATOM 0 HA2 GLY B 10 -3.456 -5.031 10.207 1.00 0.43 H new ATOM 0 HA3 GLY B 10 -2.330 -3.692 10.110 1.00 0.43 H new ATOM 1667 N ILE B 11 -3.286 -3.314 7.395 1.00 0.34 N ATOM 1668 CA ILE B 11 -4.126 -2.651 6.404 1.00 0.33 C ATOM 1669 C ILE B 11 -5.028 -3.680 5.740 1.00 0.33 C ATOM 1670 O ILE B 11 -6.206 -3.428 5.485 1.00 0.38 O ATOM 1671 CB ILE B 11 -3.295 -1.904 5.339 1.00 0.36 C ATOM 1672 CG1 ILE B 11 -2.390 -0.870 6.009 1.00 0.41 C ATOM 1673 CG2 ILE B 11 -4.213 -1.223 4.338 1.00 0.50 C ATOM 1674 CD1 ILE B 11 -1.553 -0.073 5.037 1.00 1.16 C ATOM 0 H ILE B 11 -2.311 -3.432 7.121 1.00 0.34 H new ATOM 0 HA ILE B 11 -4.728 -1.903 6.920 1.00 0.33 H new ATOM 0 HB ILE B 11 -2.674 -2.627 4.810 1.00 0.36 H new ATOM 0 HG12 ILE B 11 -3.006 -0.184 6.591 1.00 0.41 H new ATOM 0 HG13 ILE B 11 -1.729 -1.379 6.711 1.00 0.41 H new ATOM 0 HG21 ILE B 11 -3.614 -0.700 3.592 1.00 0.50 H new ATOM 0 HG22 ILE B 11 -4.833 -1.972 3.845 1.00 0.50 H new ATOM 0 HG23 ILE B 11 -4.851 -0.508 4.857 1.00 0.50 H new ATOM 0 HD11 ILE B 11 -0.938 0.640 5.586 1.00 1.16 H new ATOM 0 HD12 ILE B 11 -0.910 -0.748 4.472 1.00 1.16 H new ATOM 0 HD13 ILE B 11 -2.206 0.465 4.350 1.00 1.16 H new ATOM 1686 N VAL B 12 -4.460 -4.849 5.490 1.00 0.33 N ATOM 1687 CA VAL B 12 -5.226 -6.009 5.064 1.00 0.38 C ATOM 1688 C VAL B 12 -6.338 -6.302 6.076 1.00 0.40 C ATOM 1689 O VAL B 12 -7.473 -6.628 5.713 1.00 0.46 O ATOM 1690 CB VAL B 12 -4.289 -7.215 4.936 1.00 0.45 C ATOM 1691 CG1 VAL B 12 -5.060 -8.496 4.700 1.00 0.57 C ATOM 1692 CG2 VAL B 12 -3.308 -6.961 3.810 1.00 0.48 C ATOM 0 H VAL B 12 -3.458 -5.020 5.576 1.00 0.33 H new ATOM 0 HA VAL B 12 -5.685 -5.808 4.096 1.00 0.38 H new ATOM 0 HB VAL B 12 -3.746 -7.339 5.873 1.00 0.45 H new ATOM 0 HG11 VAL B 12 -4.363 -9.330 4.614 1.00 0.57 H new ATOM 0 HG12 VAL B 12 -5.736 -8.673 5.536 1.00 0.57 H new ATOM 0 HG13 VAL B 12 -5.637 -8.409 3.779 1.00 0.57 H new ATOM 0 HG21 VAL B 12 -2.637 -7.815 3.712 1.00 0.48 H new ATOM 0 HG22 VAL B 12 -3.854 -6.819 2.877 1.00 0.48 H new ATOM 0 HG23 VAL B 12 -2.726 -6.066 4.029 1.00 0.48 H new ATOM 1702 N ASN B 13 -5.994 -6.146 7.349 1.00 0.42 N ATOM 1703 CA ASN B 13 -6.936 -6.332 8.442 1.00 0.49 C ATOM 1704 C ASN B 13 -8.006 -5.243 8.437 1.00 0.48 C ATOM 1705 O ASN B 13 -9.144 -5.496 8.815 1.00 0.59 O ATOM 1706 CB ASN B 13 -6.193 -6.332 9.782 1.00 0.62 C ATOM 1707 CG ASN B 13 -7.118 -6.520 10.966 1.00 0.75 C ATOM 1708 OD1 ASN B 13 -7.640 -5.553 11.520 1.00 1.31 O ATOM 1709 ND2 ASN B 13 -7.323 -7.763 11.368 1.00 1.42 N ATOM 0 H ASN B 13 -5.055 -5.887 7.651 1.00 0.42 H new ATOM 0 HA ASN B 13 -7.430 -7.294 8.305 1.00 0.49 H new ATOM 0 HB2 ASN B 13 -5.448 -7.128 9.779 1.00 0.62 H new ATOM 0 HB3 ASN B 13 -5.654 -5.391 9.893 1.00 0.62 H new ATOM 0 HD21 ASN B 13 -7.933 -7.947 12.165 1.00 1.42 H new ATOM 0 HD22 ASN B 13 -6.871 -8.537 10.881 1.00 1.42 H new ATOM 1716 N ILE B 14 -7.639 -4.037 8.003 1.00 0.48 N ATOM 1717 CA ILE B 14 -8.588 -2.926 7.926 1.00 0.57 C ATOM 1718 C ILE B 14 -9.679 -3.221 6.900 1.00 0.53 C ATOM 1719 O ILE B 14 -10.866 -2.978 7.147 1.00 0.61 O ATOM 1720 CB ILE B 14 -7.898 -1.588 7.563 1.00 0.68 C ATOM 1721 CG1 ILE B 14 -6.842 -1.223 8.608 1.00 1.33 C ATOM 1722 CG2 ILE B 14 -8.926 -0.468 7.448 1.00 1.13 C ATOM 1723 CD1 ILE B 14 -6.067 0.036 8.280 1.00 2.06 C ATOM 0 H ILE B 14 -6.693 -3.805 7.700 1.00 0.48 H new ATOM 0 HA ILE B 14 -9.029 -2.823 8.918 1.00 0.57 H new ATOM 0 HB ILE B 14 -7.406 -1.713 6.598 1.00 0.68 H new ATOM 0 HG12 ILE B 14 -7.329 -1.097 9.575 1.00 1.33 H new ATOM 0 HG13 ILE B 14 -6.143 -2.053 8.709 1.00 1.33 H new ATOM 0 HG21 ILE B 14 -8.422 0.464 7.192 1.00 1.13 H new ATOM 0 HG22 ILE B 14 -9.648 -0.715 6.670 1.00 1.13 H new ATOM 0 HG23 ILE B 14 -9.444 -0.351 8.400 1.00 1.13 H new ATOM 0 HD11 ILE B 14 -5.338 0.230 9.067 1.00 2.06 H new ATOM 0 HD12 ILE B 14 -5.550 -0.092 7.329 1.00 2.06 H new ATOM 0 HD13 ILE B 14 -6.755 0.878 8.208 1.00 2.06 H new ATOM 1735 N PHE B 15 -9.283 -3.767 5.753 1.00 0.48 N ATOM 1736 CA PHE B 15 -10.249 -4.100 4.717 1.00 0.59 C ATOM 1737 C PHE B 15 -11.190 -5.191 5.221 1.00 0.61 C ATOM 1738 O PHE B 15 -12.381 -5.192 4.913 1.00 0.70 O ATOM 1739 CB PHE B 15 -9.544 -4.543 3.435 1.00 0.69 C ATOM 1740 CG PHE B 15 -10.432 -4.513 2.221 1.00 1.18 C ATOM 1741 CD1 PHE B 15 -11.018 -3.326 1.810 1.00 1.93 C ATOM 1742 CD2 PHE B 15 -10.673 -5.661 1.487 1.00 1.75 C ATOM 1743 CE1 PHE B 15 -11.829 -3.286 0.692 1.00 2.54 C ATOM 1744 CE2 PHE B 15 -11.484 -5.628 0.368 1.00 2.35 C ATOM 1745 CZ PHE B 15 -12.062 -4.440 -0.030 1.00 2.58 C ATOM 0 H PHE B 15 -8.314 -3.985 5.522 1.00 0.48 H new ATOM 0 HA PHE B 15 -10.833 -3.210 4.483 1.00 0.59 H new ATOM 0 HB2 PHE B 15 -8.683 -3.898 3.262 1.00 0.69 H new ATOM 0 HB3 PHE B 15 -9.162 -5.555 3.571 1.00 0.69 H new ATOM 0 HD1 PHE B 15 -10.838 -2.421 2.371 1.00 1.93 H new ATOM 0 HD2 PHE B 15 -10.222 -6.594 1.792 1.00 1.75 H new ATOM 0 HE1 PHE B 15 -12.280 -2.354 0.383 1.00 2.54 H new ATOM 0 HE2 PHE B 15 -11.665 -6.532 -0.195 1.00 2.35 H new ATOM 0 HZ PHE B 15 -12.695 -4.413 -0.904 1.00 2.58 H new ATOM 1755 N HIS B 16 -10.645 -6.103 6.023 1.00 0.60 N ATOM 1756 CA HIS B 16 -11.440 -7.146 6.669 1.00 0.72 C ATOM 1757 C HIS B 16 -12.292 -6.565 7.792 1.00 0.75 C ATOM 1758 O HIS B 16 -13.330 -7.118 8.148 1.00 0.88 O ATOM 1759 CB HIS B 16 -10.536 -8.241 7.243 1.00 0.77 C ATOM 1760 CG HIS B 16 -10.183 -9.324 6.274 1.00 1.16 C ATOM 1761 ND1 HIS B 16 -10.701 -10.595 6.358 1.00 1.82 N ATOM 1762 CD2 HIS B 16 -9.347 -9.332 5.209 1.00 1.85 C ATOM 1763 CE1 HIS B 16 -10.203 -11.339 5.391 1.00 2.22 C ATOM 1764 NE2 HIS B 16 -9.379 -10.599 4.678 1.00 2.23 N ATOM 0 H HIS B 16 -9.650 -6.141 6.242 1.00 0.60 H new ATOM 0 HA HIS B 16 -12.093 -7.577 5.910 1.00 0.72 H new ATOM 0 HB2 HIS B 16 -9.617 -7.782 7.607 1.00 0.77 H new ATOM 0 HB3 HIS B 16 -11.031 -8.689 8.105 1.00 0.77 H new ATOM 0 HD2 HIS B 16 -8.764 -8.499 4.845 1.00 1.85 H new ATOM 0 HE1 HIS B 16 -10.432 -12.379 5.213 1.00 2.22 H new ATOM 0 HE2 HIS B 16 -8.851 -10.915 3.865 1.00 2.23 H new ATOM 1773 N GLN B 17 -11.841 -5.446 8.334 1.00 0.70 N ATOM 1774 CA GLN B 17 -12.466 -4.835 9.495 1.00 0.82 C ATOM 1775 C GLN B 17 -13.856 -4.310 9.169 1.00 0.93 C ATOM 1776 O GLN B 17 -14.815 -4.605 9.884 1.00 1.18 O ATOM 1777 CB GLN B 17 -11.571 -3.713 10.035 1.00 0.85 C ATOM 1778 CG GLN B 17 -12.174 -2.921 11.184 1.00 1.27 C ATOM 1779 CD GLN B 17 -12.457 -1.481 10.800 1.00 1.99 C ATOM 1780 OE1 GLN B 17 -13.545 -1.155 10.325 1.00 2.60 O ATOM 1781 NE2 GLN B 17 -11.478 -0.612 11.003 1.00 2.77 N ATOM 0 H GLN B 17 -11.031 -4.936 7.981 1.00 0.70 H new ATOM 0 HA GLN B 17 -12.582 -5.599 10.264 1.00 0.82 H new ATOM 0 HB2 GLN B 17 -10.627 -4.146 10.365 1.00 0.85 H new ATOM 0 HB3 GLN B 17 -11.339 -3.027 9.220 1.00 0.85 H new ATOM 0 HG2 GLN B 17 -13.100 -3.398 11.506 1.00 1.27 H new ATOM 0 HG3 GLN B 17 -11.492 -2.941 12.034 1.00 1.27 H new ATOM 0 HE21 GLN B 17 -10.592 -0.925 11.399 1.00 2.77 H new ATOM 0 HE22 GLN B 17 -11.610 0.371 10.763 1.00 2.77 H new ATOM 1955 N LEU B 28 -17.986 -6.629 -2.552 1.00 1.15 N ATOM 1956 CA LEU B 28 -16.878 -5.696 -2.362 1.00 0.90 C ATOM 1957 C LEU B 28 -16.898 -4.599 -3.428 1.00 0.71 C ATOM 1958 O LEU B 28 -16.011 -4.489 -4.276 1.00 0.76 O ATOM 1959 CB LEU B 28 -15.525 -6.439 -2.318 1.00 1.66 C ATOM 1960 CG LEU B 28 -15.006 -7.083 -3.620 1.00 2.02 C ATOM 1961 CD1 LEU B 28 -13.707 -7.821 -3.350 1.00 2.91 C ATOM 1962 CD2 LEU B 28 -16.018 -8.036 -4.228 1.00 2.37 C ATOM 0 HA LEU B 28 -17.005 -5.208 -1.395 1.00 0.90 H new ATOM 0 HB2 LEU B 28 -14.769 -5.735 -1.970 1.00 1.66 H new ATOM 0 HB3 LEU B 28 -15.600 -7.224 -1.565 1.00 1.66 H new ATOM 0 HG LEU B 28 -14.835 -6.279 -4.336 1.00 2.02 H new ATOM 0 HD11 LEU B 28 -13.347 -8.273 -4.274 1.00 2.91 H new ATOM 0 HD12 LEU B 28 -12.962 -7.120 -2.974 1.00 2.91 H new ATOM 0 HD13 LEU B 28 -13.879 -8.600 -2.608 1.00 2.91 H new ATOM 0 HD21 LEU B 28 -15.609 -8.466 -5.143 1.00 2.37 H new ATOM 0 HD22 LEU B 28 -16.238 -8.834 -3.519 1.00 2.37 H new ATOM 0 HD23 LEU B 28 -16.935 -7.494 -4.460 1.00 2.37 H new ATOM 1974 N SER B 29 -17.932 -3.784 -3.362 1.00 0.61 N ATOM 1975 CA SER B 29 -18.137 -2.711 -4.311 1.00 0.48 C ATOM 1976 C SER B 29 -17.684 -1.378 -3.716 1.00 0.44 C ATOM 1977 O SER B 29 -17.057 -1.355 -2.654 1.00 0.53 O ATOM 1978 CB SER B 29 -19.608 -2.666 -4.711 1.00 0.55 C ATOM 1979 OG SER B 29 -20.072 -3.964 -5.048 1.00 1.35 O ATOM 0 H SER B 29 -18.655 -3.849 -2.646 1.00 0.61 H new ATOM 0 HA SER B 29 -17.537 -2.893 -5.203 1.00 0.48 H new ATOM 0 HB2 SER B 29 -20.202 -2.263 -3.891 1.00 0.55 H new ATOM 0 HB3 SER B 29 -19.740 -1.995 -5.560 1.00 0.55 H new ATOM 0 HG SER B 29 -21.018 -3.918 -5.301 1.00 1.35 H new ATOM 1985 N LYS B 30 -17.986 -0.273 -4.389 1.00 0.38 N ATOM 1986 CA LYS B 30 -17.536 1.043 -3.935 1.00 0.36 C ATOM 1987 C LYS B 30 -18.075 1.370 -2.542 1.00 0.36 C ATOM 1988 O LYS B 30 -17.491 2.173 -1.833 1.00 0.37 O ATOM 1989 CB LYS B 30 -17.982 2.133 -4.909 1.00 0.39 C ATOM 1990 CG LYS B 30 -17.182 3.425 -4.782 1.00 0.41 C ATOM 1991 CD LYS B 30 -17.823 4.569 -5.552 1.00 0.50 C ATOM 1992 CE LYS B 30 -18.341 4.114 -6.907 1.00 0.52 C ATOM 1993 NZ LYS B 30 -18.848 5.237 -7.736 1.00 1.32 N ATOM 0 H LYS B 30 -18.538 -0.259 -5.247 1.00 0.38 H new ATOM 0 HA LYS B 30 -16.447 1.011 -3.893 1.00 0.36 H new ATOM 0 HB2 LYS B 30 -17.892 1.758 -5.928 1.00 0.39 H new ATOM 0 HB3 LYS B 30 -19.037 2.350 -4.741 1.00 0.39 H new ATOM 0 HG2 LYS B 30 -17.098 3.698 -3.730 1.00 0.41 H new ATOM 0 HG3 LYS B 30 -16.169 3.262 -5.151 1.00 0.41 H new ATOM 0 HD2 LYS B 30 -18.645 4.985 -4.969 1.00 0.50 H new ATOM 0 HD3 LYS B 30 -17.094 5.368 -5.690 1.00 0.50 H new ATOM 0 HE2 LYS B 30 -17.541 3.604 -7.444 1.00 0.52 H new ATOM 0 HE3 LYS B 30 -19.140 3.387 -6.760 1.00 0.52 H new ATOM 0 HZ1 LYS B 30 -19.125 4.880 -8.672 1.00 1.32 H new ATOM 0 HZ2 LYS B 30 -19.673 5.667 -7.271 1.00 1.32 H new ATOM 0 HZ3 LYS B 30 -18.101 5.952 -7.846 1.00 1.32 H new ATOM 2007 N GLY B 31 -19.180 0.738 -2.166 1.00 0.39 N ATOM 2008 CA GLY B 31 -19.841 1.045 -0.905 1.00 0.40 C ATOM 2009 C GLY B 31 -18.938 0.943 0.308 1.00 0.38 C ATOM 2010 O GLY B 31 -18.768 1.916 1.049 1.00 0.39 O ATOM 0 H GLY B 31 -19.636 0.010 -2.716 1.00 0.39 H new ATOM 0 HA2 GLY B 31 -20.249 2.055 -0.957 1.00 0.40 H new ATOM 0 HA3 GLY B 31 -20.684 0.367 -0.775 1.00 0.40 H new ATOM 2014 N GLU B 32 -18.352 -0.225 0.506 1.00 0.44 N ATOM 2015 CA GLU B 32 -17.515 -0.471 1.674 1.00 0.50 C ATOM 2016 C GLU B 32 -16.214 0.309 1.601 1.00 0.42 C ATOM 2017 O GLU B 32 -15.731 0.813 2.615 1.00 0.44 O ATOM 2018 CB GLU B 32 -17.236 -1.959 1.836 1.00 0.67 C ATOM 2019 CG GLU B 32 -16.866 -2.655 0.543 1.00 0.96 C ATOM 2020 CD GLU B 32 -16.613 -4.135 0.737 1.00 1.58 C ATOM 2021 OE1 GLU B 32 -17.591 -4.890 0.915 1.00 2.10 O ATOM 2022 OE2 GLU B 32 -15.436 -4.549 0.734 1.00 2.43 O ATOM 0 H GLU B 32 -18.439 -1.021 -0.126 1.00 0.44 H new ATOM 0 HA GLU B 32 -18.064 -0.123 2.549 1.00 0.50 H new ATOM 0 HB2 GLU B 32 -16.426 -2.091 2.554 1.00 0.67 H new ATOM 0 HB3 GLU B 32 -18.118 -2.441 2.258 1.00 0.67 H new ATOM 0 HG2 GLU B 32 -17.668 -2.518 -0.183 1.00 0.96 H new ATOM 0 HG3 GLU B 32 -15.974 -2.188 0.124 1.00 0.96 H new ATOM 2029 N LEU B 33 -15.657 0.405 0.400 1.00 0.38 N ATOM 2030 CA LEU B 33 -14.468 1.205 0.167 1.00 0.34 C ATOM 2031 C LEU B 33 -14.739 2.634 0.584 1.00 0.30 C ATOM 2032 O LEU B 33 -14.003 3.218 1.360 1.00 0.32 O ATOM 2033 CB LEU B 33 -14.105 1.175 -1.311 1.00 0.34 C ATOM 2034 CG LEU B 33 -12.727 1.730 -1.649 1.00 0.39 C ATOM 2035 CD1 LEU B 33 -11.637 0.843 -1.071 1.00 0.52 C ATOM 2036 CD2 LEU B 33 -12.572 1.879 -3.150 1.00 0.46 C ATOM 0 H LEU B 33 -16.015 -0.066 -0.431 1.00 0.38 H new ATOM 0 HA LEU B 33 -13.641 0.798 0.749 1.00 0.34 H new ATOM 0 HB2 LEU B 33 -14.161 0.145 -1.662 1.00 0.34 H new ATOM 0 HB3 LEU B 33 -14.854 1.741 -1.865 1.00 0.34 H new ATOM 0 HG LEU B 33 -12.628 2.718 -1.198 1.00 0.39 H new ATOM 0 HD11 LEU B 33 -10.660 1.256 -1.323 1.00 0.52 H new ATOM 0 HD12 LEU B 33 -11.743 0.796 0.013 1.00 0.52 H new ATOM 0 HD13 LEU B 33 -11.725 -0.160 -1.488 1.00 0.52 H new ATOM 0 HD21 LEU B 33 -11.583 2.277 -3.376 1.00 0.46 H new ATOM 0 HD22 LEU B 33 -12.689 0.906 -3.626 1.00 0.46 H new ATOM 0 HD23 LEU B 33 -13.332 2.562 -3.528 1.00 0.46 H new ATOM 2048 N LYS B 34 -15.833 3.159 0.065 1.00 0.29 N ATOM 2049 CA LYS B 34 -16.286 4.509 0.339 1.00 0.31 C ATOM 2050 C LYS B 34 -16.303 4.791 1.832 1.00 0.35 C ATOM 2051 O LYS B 34 -15.740 5.785 2.289 1.00 0.41 O ATOM 2052 CB LYS B 34 -17.679 4.674 -0.260 1.00 0.34 C ATOM 2053 CG LYS B 34 -18.381 5.977 0.090 1.00 0.53 C ATOM 2054 CD LYS B 34 -19.756 6.057 -0.558 1.00 0.85 C ATOM 2055 CE LYS B 34 -20.725 5.041 0.033 1.00 1.30 C ATOM 2056 NZ LYS B 34 -21.033 5.325 1.460 1.00 1.87 N ATOM 0 H LYS B 34 -16.444 2.648 -0.572 1.00 0.29 H new ATOM 0 HA LYS B 34 -15.598 5.225 -0.111 1.00 0.31 H new ATOM 0 HB2 LYS B 34 -17.602 4.601 -1.345 1.00 0.34 H new ATOM 0 HB3 LYS B 34 -18.301 3.843 0.072 1.00 0.34 H new ATOM 0 HG2 LYS B 34 -18.482 6.059 1.172 1.00 0.53 H new ATOM 0 HG3 LYS B 34 -17.773 6.820 -0.238 1.00 0.53 H new ATOM 0 HD2 LYS B 34 -20.160 7.061 -0.429 1.00 0.85 H new ATOM 0 HD3 LYS B 34 -19.662 5.887 -1.631 1.00 0.85 H new ATOM 0 HE2 LYS B 34 -21.650 5.044 -0.544 1.00 1.30 H new ATOM 0 HE3 LYS B 34 -20.299 4.042 -0.053 1.00 1.30 H new ATOM 0 HZ1 LYS B 34 -21.722 4.629 1.812 1.00 1.87 H new ATOM 0 HZ2 LYS B 34 -20.160 5.263 2.022 1.00 1.87 H new ATOM 0 HZ3 LYS B 34 -21.433 6.281 1.545 1.00 1.87 H new ATOM 2070 N GLN B 35 -16.939 3.907 2.588 1.00 0.36 N ATOM 2071 CA GLN B 35 -16.966 4.038 4.032 1.00 0.43 C ATOM 2072 C GLN B 35 -15.568 3.969 4.604 1.00 0.43 C ATOM 2073 O GLN B 35 -15.109 4.925 5.212 1.00 0.50 O ATOM 2074 CB GLN B 35 -17.844 2.972 4.669 1.00 0.50 C ATOM 2075 CG GLN B 35 -19.324 3.266 4.558 1.00 1.07 C ATOM 2076 CD GLN B 35 -19.642 4.739 4.737 1.00 1.67 C ATOM 2077 OE1 GLN B 35 -19.669 5.502 3.772 1.00 2.45 O ATOM 2078 NE2 GLN B 35 -19.880 5.148 5.971 1.00 2.06 N ATOM 0 H GLN B 35 -17.440 3.096 2.225 1.00 0.36 H new ATOM 0 HA GLN B 35 -17.393 5.014 4.264 1.00 0.43 H new ATOM 0 HB2 GLN B 35 -17.636 2.011 4.198 1.00 0.50 H new ATOM 0 HB3 GLN B 35 -17.579 2.875 5.722 1.00 0.50 H new ATOM 0 HG2 GLN B 35 -19.684 2.936 3.583 1.00 1.07 H new ATOM 0 HG3 GLN B 35 -19.863 2.688 5.309 1.00 1.07 H new ATOM 0 HE21 GLN B 35 -19.848 4.483 6.744 1.00 2.06 H new ATOM 0 HE22 GLN B 35 -20.096 6.129 6.151 1.00 2.06 H new ATOM 2087 N LEU B 36 -14.891 2.850 4.372 1.00 0.38 N ATOM 2088 CA LEU B 36 -13.553 2.617 4.904 1.00 0.39 C ATOM 2089 C LEU B 36 -12.657 3.829 4.663 1.00 0.38 C ATOM 2090 O LEU B 36 -11.922 4.261 5.532 1.00 0.45 O ATOM 2091 CB LEU B 36 -12.970 1.367 4.240 1.00 0.37 C ATOM 2092 CG LEU B 36 -11.621 0.883 4.769 1.00 0.40 C ATOM 2093 CD1 LEU B 36 -11.511 -0.618 4.585 1.00 0.45 C ATOM 2094 CD2 LEU B 36 -10.476 1.580 4.050 1.00 0.40 C ATOM 0 H LEU B 36 -15.254 2.079 3.811 1.00 0.38 H new ATOM 0 HA LEU B 36 -13.610 2.462 5.981 1.00 0.39 H new ATOM 0 HB2 LEU B 36 -13.690 0.556 4.347 1.00 0.37 H new ATOM 0 HB3 LEU B 36 -12.868 1.563 3.173 1.00 0.37 H new ATOM 0 HG LEU B 36 -11.556 1.125 5.830 1.00 0.40 H new ATOM 0 HD11 LEU B 36 -10.548 -0.961 4.963 1.00 0.45 H new ATOM 0 HD12 LEU B 36 -12.313 -1.112 5.134 1.00 0.45 H new ATOM 0 HD13 LEU B 36 -11.593 -0.862 3.526 1.00 0.45 H new ATOM 0 HD21 LEU B 36 -9.526 1.219 4.444 1.00 0.40 H new ATOM 0 HD22 LEU B 36 -10.532 1.365 2.983 1.00 0.40 H new ATOM 0 HD23 LEU B 36 -10.549 2.656 4.208 1.00 0.40 H new ATOM 2106 N LEU B 37 -12.746 4.384 3.483 1.00 0.34 N ATOM 2107 CA LEU B 37 -11.950 5.536 3.119 1.00 0.35 C ATOM 2108 C LEU B 37 -12.364 6.793 3.888 1.00 0.41 C ATOM 2109 O LEU B 37 -11.517 7.468 4.468 1.00 0.45 O ATOM 2110 CB LEU B 37 -12.055 5.765 1.620 1.00 0.34 C ATOM 2111 CG LEU B 37 -11.569 4.592 0.766 1.00 0.30 C ATOM 2112 CD1 LEU B 37 -11.678 4.912 -0.715 1.00 0.38 C ATOM 2113 CD2 LEU B 37 -10.146 4.226 1.141 1.00 0.32 C ATOM 0 H LEU B 37 -13.369 4.054 2.746 1.00 0.34 H new ATOM 0 HA LEU B 37 -10.914 5.331 3.389 1.00 0.35 H new ATOM 0 HB2 LEU B 37 -13.095 5.975 1.369 1.00 0.34 H new ATOM 0 HB3 LEU B 37 -11.478 6.652 1.359 1.00 0.34 H new ATOM 0 HG LEU B 37 -12.210 3.733 0.964 1.00 0.30 H new ATOM 0 HD11 LEU B 37 -11.326 4.061 -1.298 1.00 0.38 H new ATOM 0 HD12 LEU B 37 -12.718 5.119 -0.967 1.00 0.38 H new ATOM 0 HD13 LEU B 37 -11.068 5.786 -0.944 1.00 0.38 H new ATOM 0 HD21 LEU B 37 -9.811 3.390 0.527 1.00 0.32 H new ATOM 0 HD22 LEU B 37 -9.494 5.083 0.974 1.00 0.32 H new ATOM 0 HD23 LEU B 37 -10.109 3.941 2.192 1.00 0.32 H new ATOM 2125 N THR B 38 -13.657 7.095 3.915 1.00 0.45 N ATOM 2126 CA THR B 38 -14.134 8.327 4.535 1.00 0.53 C ATOM 2127 C THR B 38 -14.030 8.269 6.066 1.00 0.59 C ATOM 2128 O THR B 38 -13.899 9.302 6.726 1.00 0.67 O ATOM 2129 CB THR B 38 -15.592 8.655 4.107 1.00 0.56 C ATOM 2130 OG1 THR B 38 -15.981 9.953 4.572 1.00 1.23 O ATOM 2131 CG2 THR B 38 -16.578 7.627 4.641 1.00 1.03 C ATOM 0 H THR B 38 -14.390 6.508 3.518 1.00 0.45 H new ATOM 0 HA THR B 38 -13.485 9.128 4.181 1.00 0.53 H new ATOM 0 HB THR B 38 -15.613 8.633 3.017 1.00 0.56 H new ATOM 0 HG1 THR B 38 -16.901 10.139 4.290 1.00 1.23 H new ATOM 0 HG21 THR B 38 -17.586 7.890 4.321 1.00 1.03 H new ATOM 0 HG22 THR B 38 -16.320 6.641 4.255 1.00 1.03 H new ATOM 0 HG23 THR B 38 -16.535 7.613 5.730 1.00 1.03 H new ATOM 2139 N LYS B 39 -14.093 7.071 6.638 1.00 0.58 N ATOM 2140 CA LYS B 39 -14.017 6.936 8.088 1.00 0.67 C ATOM 2141 C LYS B 39 -12.609 6.595 8.576 1.00 0.65 C ATOM 2142 O LYS B 39 -12.184 7.080 9.625 1.00 0.72 O ATOM 2143 CB LYS B 39 -15.025 5.905 8.608 1.00 0.72 C ATOM 2144 CG LYS B 39 -14.899 4.534 7.986 1.00 0.68 C ATOM 2145 CD LYS B 39 -16.192 3.750 8.139 1.00 0.74 C ATOM 2146 CE LYS B 39 -16.230 2.969 9.446 1.00 0.87 C ATOM 2147 NZ LYS B 39 -15.594 3.690 10.585 1.00 1.62 N ATOM 0 H LYS B 39 -14.195 6.193 6.129 1.00 0.58 H new ATOM 0 HA LYS B 39 -14.274 7.913 8.497 1.00 0.67 H new ATOM 0 HB2 LYS B 39 -14.906 5.812 9.688 1.00 0.72 H new ATOM 0 HB3 LYS B 39 -16.033 6.279 8.429 1.00 0.72 H new ATOM 0 HG2 LYS B 39 -14.650 4.631 6.929 1.00 0.68 H new ATOM 0 HG3 LYS B 39 -14.081 3.990 8.458 1.00 0.68 H new ATOM 0 HD2 LYS B 39 -17.039 4.435 8.100 1.00 0.74 H new ATOM 0 HD3 LYS B 39 -16.301 3.061 7.301 1.00 0.74 H new ATOM 0 HE2 LYS B 39 -17.267 2.748 9.699 1.00 0.87 H new ATOM 0 HE3 LYS B 39 -15.726 2.013 9.304 1.00 0.87 H new ATOM 0 HZ1 LYS B 39 -15.742 3.152 11.463 1.00 1.62 H new ATOM 0 HZ2 LYS B 39 -14.574 3.788 10.408 1.00 1.62 H new ATOM 0 HZ3 LYS B 39 -16.021 4.633 10.681 1.00 1.62 H new ATOM 2161 N GLU B 40 -11.878 5.783 7.821 1.00 0.57 N ATOM 2162 CA GLU B 40 -10.603 5.259 8.303 1.00 0.58 C ATOM 2163 C GLU B 40 -9.434 6.083 7.753 1.00 0.56 C ATOM 2164 O GLU B 40 -8.497 6.418 8.475 1.00 0.64 O ATOM 2165 CB GLU B 40 -10.441 3.778 7.916 1.00 0.58 C ATOM 2166 CG GLU B 40 -11.608 2.877 8.317 1.00 0.88 C ATOM 2167 CD GLU B 40 -11.959 2.924 9.796 1.00 1.14 C ATOM 2168 OE1 GLU B 40 -11.392 2.135 10.577 1.00 1.67 O ATOM 2169 OE2 GLU B 40 -12.849 3.714 10.180 1.00 1.63 O ATOM 0 H GLU B 40 -12.140 5.476 6.885 1.00 0.57 H new ATOM 0 HA GLU B 40 -10.597 5.335 9.390 1.00 0.58 H new ATOM 0 HB2 GLU B 40 -10.305 3.712 6.837 1.00 0.58 H new ATOM 0 HB3 GLU B 40 -9.530 3.395 8.376 1.00 0.58 H new ATOM 0 HG2 GLU B 40 -12.487 3.162 7.738 1.00 0.88 H new ATOM 0 HG3 GLU B 40 -11.367 1.849 8.046 1.00 0.88 H new ATOM 2176 N LEU B 41 -9.506 6.437 6.477 1.00 0.50 N ATOM 2177 CA LEU B 41 -8.434 7.192 5.824 1.00 0.49 C ATOM 2178 C LEU B 41 -8.850 8.652 5.675 1.00 0.53 C ATOM 2179 O LEU B 41 -8.349 9.376 4.809 1.00 0.53 O ATOM 2180 CB LEU B 41 -8.100 6.597 4.445 1.00 0.43 C ATOM 2181 CG LEU B 41 -7.401 5.227 4.439 1.00 0.51 C ATOM 2182 CD1 LEU B 41 -8.274 4.143 5.046 1.00 1.22 C ATOM 2183 CD2 LEU B 41 -7.013 4.843 3.021 1.00 1.42 C ATOM 0 H LEU B 41 -10.295 6.215 5.869 1.00 0.50 H new ATOM 0 HA LEU B 41 -7.541 7.130 6.446 1.00 0.49 H new ATOM 0 HB2 LEU B 41 -9.027 6.510 3.878 1.00 0.43 H new ATOM 0 HB3 LEU B 41 -7.466 7.306 3.912 1.00 0.43 H new ATOM 0 HG LEU B 41 -6.504 5.315 5.052 1.00 0.51 H new ATOM 0 HD11 LEU B 41 -7.742 3.192 5.022 1.00 1.22 H new ATOM 0 HD12 LEU B 41 -8.509 4.401 6.078 1.00 1.22 H new ATOM 0 HD13 LEU B 41 -9.198 4.057 4.474 1.00 1.22 H new ATOM 0 HD21 LEU B 41 -6.519 3.871 3.029 1.00 1.42 H new ATOM 0 HD22 LEU B 41 -7.908 4.790 2.401 1.00 1.42 H new ATOM 0 HD23 LEU B 41 -6.334 5.592 2.614 1.00 1.42 H new ATOM 2195 N ALA B 42 -9.759 9.059 6.556 1.00 0.58 N ATOM 2196 CA ALA B 42 -10.411 10.370 6.509 1.00 0.64 C ATOM 2197 C ALA B 42 -9.445 11.553 6.398 1.00 0.71 C ATOM 2198 O ALA B 42 -9.779 12.571 5.793 1.00 0.78 O ATOM 2199 CB ALA B 42 -11.281 10.543 7.741 1.00 0.71 C ATOM 0 H ALA B 42 -10.070 8.480 7.336 1.00 0.58 H new ATOM 0 HA ALA B 42 -11.006 10.380 5.596 1.00 0.64 H new ATOM 0 HB1 ALA B 42 -11.768 11.518 7.709 1.00 0.71 H new ATOM 0 HB2 ALA B 42 -12.039 9.760 7.764 1.00 0.71 H new ATOM 0 HB3 ALA B 42 -10.662 10.476 8.636 1.00 0.71 H new ATOM 2205 N ASN B 43 -8.264 11.435 6.980 1.00 0.74 N ATOM 2206 CA ASN B 43 -7.359 12.577 7.072 1.00 0.83 C ATOM 2207 C ASN B 43 -6.167 12.432 6.124 1.00 0.83 C ATOM 2208 O ASN B 43 -5.354 13.348 5.984 1.00 1.07 O ATOM 2209 CB ASN B 43 -6.881 12.736 8.522 1.00 1.00 C ATOM 2210 CG ASN B 43 -6.116 14.026 8.771 1.00 1.28 C ATOM 2211 OD1 ASN B 43 -4.891 14.071 8.672 1.00 1.56 O ATOM 2212 ND2 ASN B 43 -6.836 15.088 9.104 1.00 2.16 N ATOM 0 H ASN B 43 -7.909 10.573 7.393 1.00 0.74 H new ATOM 0 HA ASN B 43 -7.903 13.471 6.769 1.00 0.83 H new ATOM 0 HB2 ASN B 43 -7.744 12.701 9.187 1.00 1.00 H new ATOM 0 HB3 ASN B 43 -6.245 11.890 8.781 1.00 1.00 H new ATOM 0 HD21 ASN B 43 -6.375 15.979 9.288 1.00 2.16 H new ATOM 0 HD22 ASN B 43 -7.851 15.014 9.177 1.00 2.16 H new ATOM 2219 N THR B 44 -6.094 11.312 5.425 1.00 0.65 N ATOM 2220 CA THR B 44 -4.913 10.999 4.639 1.00 0.61 C ATOM 2221 C THR B 44 -5.115 11.415 3.191 1.00 0.59 C ATOM 2222 O THR B 44 -4.370 12.234 2.644 1.00 0.66 O ATOM 2223 CB THR B 44 -4.605 9.494 4.686 1.00 0.55 C ATOM 2224 OG1 THR B 44 -4.803 9.000 6.018 1.00 0.65 O ATOM 2225 CG2 THR B 44 -3.171 9.223 4.254 1.00 0.52 C ATOM 0 H THR B 44 -6.832 10.609 5.385 1.00 0.65 H new ATOM 0 HA THR B 44 -4.075 11.550 5.067 1.00 0.61 H new ATOM 0 HB THR B 44 -5.280 8.983 3.999 1.00 0.55 H new ATOM 0 HG1 THR B 44 -4.017 8.485 6.296 1.00 0.65 H new ATOM 0 HG21 THR B 44 -2.975 8.152 4.295 1.00 0.52 H new ATOM 0 HG22 THR B 44 -3.024 9.580 3.235 1.00 0.52 H new ATOM 0 HG23 THR B 44 -2.485 9.743 4.923 1.00 0.52 H new ATOM 2233 N ILE B 45 -6.144 10.852 2.589 1.00 0.52 N ATOM 2234 CA ILE B 45 -6.460 11.101 1.201 1.00 0.51 C ATOM 2235 C ILE B 45 -7.238 12.407 1.071 1.00 0.59 C ATOM 2236 O ILE B 45 -8.096 12.704 1.906 1.00 0.60 O ATOM 2237 CB ILE B 45 -7.281 9.934 0.631 1.00 0.43 C ATOM 2238 CG1 ILE B 45 -6.526 8.608 0.795 1.00 0.39 C ATOM 2239 CG2 ILE B 45 -7.609 10.185 -0.833 1.00 0.47 C ATOM 2240 CD1 ILE B 45 -7.292 7.408 0.278 1.00 0.35 C ATOM 0 H ILE B 45 -6.785 10.208 3.052 1.00 0.52 H new ATOM 0 HA ILE B 45 -5.533 11.186 0.635 1.00 0.51 H new ATOM 0 HB ILE B 45 -8.215 9.864 1.189 1.00 0.43 H new ATOM 0 HG12 ILE B 45 -5.573 8.674 0.270 1.00 0.39 H new ATOM 0 HG13 ILE B 45 -6.299 8.457 1.850 1.00 0.39 H new ATOM 0 HG21 ILE B 45 -8.191 9.350 -1.224 1.00 0.47 H new ATOM 0 HG22 ILE B 45 -8.187 11.104 -0.924 1.00 0.47 H new ATOM 0 HG23 ILE B 45 -6.684 10.280 -1.402 1.00 0.47 H new ATOM 0 HD11 ILE B 45 -6.698 6.506 0.426 1.00 0.35 H new ATOM 0 HD12 ILE B 45 -8.233 7.316 0.820 1.00 0.35 H new ATOM 0 HD13 ILE B 45 -7.496 7.537 -0.785 1.00 0.35 H new ATOM 2252 N LYS B 46 -6.921 13.191 0.038 1.00 0.67 N ATOM 2253 CA LYS B 46 -7.528 14.504 -0.132 1.00 0.74 C ATOM 2254 C LYS B 46 -9.036 14.378 -0.251 1.00 0.68 C ATOM 2255 O LYS B 46 -9.534 13.640 -1.099 1.00 0.63 O ATOM 2256 CB LYS B 46 -6.936 15.251 -1.355 1.00 0.82 C ATOM 2257 CG LYS B 46 -7.550 14.927 -2.721 1.00 0.79 C ATOM 2258 CD LYS B 46 -8.798 15.768 -3.003 1.00 0.75 C ATOM 2259 CE LYS B 46 -9.234 15.669 -4.457 1.00 0.88 C ATOM 2260 NZ LYS B 46 -8.359 16.465 -5.362 1.00 1.61 N ATOM 0 H LYS B 46 -6.250 12.937 -0.688 1.00 0.67 H new ATOM 0 HA LYS B 46 -7.298 15.097 0.753 1.00 0.74 H new ATOM 0 HB2 LYS B 46 -7.038 16.322 -1.182 1.00 0.82 H new ATOM 0 HB3 LYS B 46 -5.869 15.035 -1.402 1.00 0.82 H new ATOM 0 HG2 LYS B 46 -6.810 15.103 -3.502 1.00 0.79 H new ATOM 0 HG3 LYS B 46 -7.809 13.869 -2.760 1.00 0.79 H new ATOM 0 HD2 LYS B 46 -9.612 15.438 -2.357 1.00 0.75 H new ATOM 0 HD3 LYS B 46 -8.597 16.810 -2.755 1.00 0.75 H new ATOM 0 HE2 LYS B 46 -9.221 14.624 -4.768 1.00 0.88 H new ATOM 0 HE3 LYS B 46 -10.263 16.017 -4.551 1.00 0.88 H new ATOM 0 HZ1 LYS B 46 -8.742 16.437 -6.328 1.00 1.61 H new ATOM 0 HZ2 LYS B 46 -8.323 17.451 -5.032 1.00 1.61 H new ATOM 0 HZ3 LYS B 46 -7.399 16.064 -5.358 1.00 1.61 H new ATOM 2274 N ASN B 47 -9.742 15.077 0.634 1.00 0.71 N ATOM 2275 CA ASN B 47 -11.202 15.109 0.636 1.00 0.67 C ATOM 2276 C ASN B 47 -11.796 13.735 0.402 1.00 0.59 C ATOM 2277 O ASN B 47 -12.748 13.586 -0.363 1.00 0.57 O ATOM 2278 CB ASN B 47 -11.734 16.068 -0.423 1.00 0.69 C ATOM 2279 CG ASN B 47 -11.587 17.527 -0.038 1.00 0.92 C ATOM 2280 OD1 ASN B 47 -10.633 17.915 0.640 1.00 1.48 O ATOM 2281 ND2 ASN B 47 -12.530 18.347 -0.468 1.00 1.24 N ATOM 0 H ASN B 47 -9.317 15.639 1.372 1.00 0.71 H new ATOM 0 HA ASN B 47 -11.503 15.457 1.624 1.00 0.67 H new ATOM 0 HB2 ASN B 47 -11.207 15.892 -1.361 1.00 0.69 H new ATOM 0 HB3 ASN B 47 -12.787 15.851 -0.604 1.00 0.69 H new ATOM 0 HD21 ASN B 47 -12.484 19.340 -0.241 1.00 1.24 H new ATOM 0 HD22 ASN B 47 -13.303 17.986 -1.027 1.00 1.24 H new ATOM 2288 N ILE B 48 -11.237 12.737 1.070 1.00 0.56 N ATOM 2289 CA ILE B 48 -11.681 11.356 0.922 1.00 0.48 C ATOM 2290 C ILE B 48 -13.139 11.198 1.357 1.00 0.48 C ATOM 2291 O ILE B 48 -13.746 10.139 1.220 1.00 0.44 O ATOM 2292 CB ILE B 48 -10.783 10.416 1.743 1.00 0.46 C ATOM 2293 CG1 ILE B 48 -11.053 8.957 1.381 1.00 0.40 C ATOM 2294 CG2 ILE B 48 -10.994 10.645 3.228 1.00 0.52 C ATOM 2295 CD1 ILE B 48 -10.967 8.677 -0.104 1.00 0.38 C ATOM 0 H ILE B 48 -10.467 12.859 1.727 1.00 0.56 H new ATOM 0 HA ILE B 48 -11.607 11.090 -0.132 1.00 0.48 H new ATOM 0 HB ILE B 48 -9.743 10.639 1.503 1.00 0.46 H new ATOM 0 HG12 ILE B 48 -10.337 8.323 1.904 1.00 0.40 H new ATOM 0 HG13 ILE B 48 -12.045 8.680 1.738 1.00 0.40 H new ATOM 0 HG21 ILE B 48 -10.351 9.972 3.795 1.00 0.52 H new ATOM 0 HG22 ILE B 48 -10.747 11.677 3.476 1.00 0.52 H new ATOM 0 HG23 ILE B 48 -12.036 10.451 3.482 1.00 0.52 H new ATOM 0 HD11 ILE B 48 -11.170 7.622 -0.288 1.00 0.38 H new ATOM 0 HD12 ILE B 48 -11.702 9.285 -0.632 1.00 0.38 H new ATOM 0 HD13 ILE B 48 -9.968 8.922 -0.463 1.00 0.38 H new ATOM 2307 N LYS B 49 -13.690 12.276 1.874 1.00 0.56 N ATOM 2308 CA LYS B 49 -15.062 12.308 2.323 1.00 0.57 C ATOM 2309 C LYS B 49 -15.990 12.464 1.130 1.00 0.55 C ATOM 2310 O LYS B 49 -17.177 12.140 1.197 1.00 0.56 O ATOM 2311 CB LYS B 49 -15.248 13.474 3.281 1.00 0.66 C ATOM 2312 CG LYS B 49 -14.076 13.644 4.227 1.00 0.73 C ATOM 2313 CD LYS B 49 -13.856 12.401 5.073 1.00 0.72 C ATOM 2314 CE LYS B 49 -14.895 12.264 6.177 1.00 0.83 C ATOM 2315 NZ LYS B 49 -14.813 13.368 7.167 1.00 1.11 N ATOM 0 H LYS B 49 -13.194 13.159 1.994 1.00 0.56 H new ATOM 0 HA LYS B 49 -15.301 11.376 2.836 1.00 0.57 H new ATOM 0 HB2 LYS B 49 -15.384 14.392 2.709 1.00 0.66 H new ATOM 0 HB3 LYS B 49 -16.159 13.322 3.860 1.00 0.66 H new ATOM 0 HG2 LYS B 49 -13.174 13.860 3.655 1.00 0.73 H new ATOM 0 HG3 LYS B 49 -14.254 14.501 4.877 1.00 0.73 H new ATOM 0 HD2 LYS B 49 -13.889 11.519 4.434 1.00 0.72 H new ATOM 0 HD3 LYS B 49 -12.861 12.437 5.516 1.00 0.72 H new ATOM 0 HE2 LYS B 49 -15.891 12.248 5.735 1.00 0.83 H new ATOM 0 HE3 LYS B 49 -14.757 11.311 6.687 1.00 0.83 H new ATOM 0 HZ1 LYS B 49 -15.306 13.090 8.039 1.00 1.11 H new ATOM 0 HZ2 LYS B 49 -13.815 13.568 7.382 1.00 1.11 H new ATOM 0 HZ3 LYS B 49 -15.260 14.221 6.774 1.00 1.11 H new ATOM 2329 N ASP B 50 -15.431 12.962 0.037 1.00 0.55 N ATOM 2330 CA ASP B 50 -16.200 13.217 -1.165 1.00 0.56 C ATOM 2331 C ASP B 50 -16.334 11.967 -2.000 1.00 0.50 C ATOM 2332 O ASP B 50 -15.350 11.307 -2.325 1.00 0.47 O ATOM 2333 CB ASP B 50 -15.569 14.334 -1.994 1.00 0.62 C ATOM 2334 CG ASP B 50 -15.868 15.712 -1.437 1.00 0.97 C ATOM 2335 OD1 ASP B 50 -17.061 16.059 -1.316 1.00 1.59 O ATOM 2336 OD2 ASP B 50 -14.918 16.461 -1.123 1.00 1.56 O ATOM 0 H ASP B 50 -14.441 13.198 -0.039 1.00 0.55 H new ATOM 0 HA ASP B 50 -17.195 13.535 -0.854 1.00 0.56 H new ATOM 0 HB2 ASP B 50 -14.490 14.188 -2.032 1.00 0.62 H new ATOM 0 HB3 ASP B 50 -15.936 14.273 -3.019 1.00 0.62 H new ATOM 2341 N LYS B 51 -17.571 11.665 -2.352 1.00 0.50 N ATOM 2342 CA LYS B 51 -17.894 10.504 -3.158 1.00 0.48 C ATOM 2343 C LYS B 51 -17.245 10.626 -4.528 1.00 0.49 C ATOM 2344 O LYS B 51 -16.929 9.630 -5.161 1.00 0.48 O ATOM 2345 CB LYS B 51 -19.403 10.410 -3.320 1.00 0.53 C ATOM 2346 CG LYS B 51 -19.978 9.000 -3.238 1.00 0.83 C ATOM 2347 CD LYS B 51 -19.395 8.072 -4.293 1.00 0.60 C ATOM 2348 CE LYS B 51 -20.261 6.836 -4.491 1.00 0.83 C ATOM 2349 NZ LYS B 51 -21.668 7.183 -4.827 1.00 0.92 N ATOM 0 H LYS B 51 -18.383 12.222 -2.085 1.00 0.50 H new ATOM 0 HA LYS B 51 -17.519 9.608 -2.664 1.00 0.48 H new ATOM 0 HB2 LYS B 51 -19.874 11.022 -2.551 1.00 0.53 H new ATOM 0 HB3 LYS B 51 -19.677 10.841 -4.283 1.00 0.53 H new ATOM 0 HG2 LYS B 51 -19.782 8.588 -2.248 1.00 0.83 H new ATOM 0 HG3 LYS B 51 -21.061 9.045 -3.356 1.00 0.83 H new ATOM 0 HD2 LYS B 51 -19.302 8.607 -5.238 1.00 0.60 H new ATOM 0 HD3 LYS B 51 -18.390 7.770 -3.998 1.00 0.60 H new ATOM 0 HE2 LYS B 51 -19.840 6.223 -5.288 1.00 0.83 H new ATOM 0 HE3 LYS B 51 -20.244 6.234 -3.583 1.00 0.83 H new ATOM 0 HZ1 LYS B 51 -22.022 6.530 -5.555 1.00 0.92 H new ATOM 0 HZ2 LYS B 51 -22.258 7.104 -3.974 1.00 0.92 H new ATOM 0 HZ3 LYS B 51 -21.709 8.158 -5.187 1.00 0.92 H new ATOM 2363 N ALA B 52 -17.056 11.859 -4.976 1.00 0.55 N ATOM 2364 CA ALA B 52 -16.393 12.117 -6.243 1.00 0.60 C ATOM 2365 C ALA B 52 -14.926 11.764 -6.124 1.00 0.57 C ATOM 2366 O ALA B 52 -14.333 11.195 -7.038 1.00 0.60 O ATOM 2367 CB ALA B 52 -16.546 13.571 -6.638 1.00 0.67 C ATOM 0 H ALA B 52 -17.354 12.698 -4.478 1.00 0.55 H new ATOM 0 HA ALA B 52 -16.854 11.502 -7.016 1.00 0.60 H new ATOM 0 HB1 ALA B 52 -16.043 13.744 -7.589 1.00 0.67 H new ATOM 0 HB2 ALA B 52 -17.604 13.811 -6.738 1.00 0.67 H new ATOM 0 HB3 ALA B 52 -16.101 14.205 -5.871 1.00 0.67 H new ATOM 2373 N VAL B 53 -14.367 12.080 -4.967 1.00 0.54 N ATOM 2374 CA VAL B 53 -12.977 11.763 -4.675 1.00 0.53 C ATOM 2375 C VAL B 53 -12.827 10.257 -4.569 1.00 0.47 C ATOM 2376 O VAL B 53 -11.910 9.658 -5.129 1.00 0.48 O ATOM 2377 CB VAL B 53 -12.507 12.425 -3.358 1.00 0.53 C ATOM 2378 CG1 VAL B 53 -11.252 11.751 -2.821 1.00 0.51 C ATOM 2379 CG2 VAL B 53 -12.248 13.907 -3.567 1.00 0.60 C ATOM 0 H VAL B 53 -14.857 12.558 -4.211 1.00 0.54 H new ATOM 0 HA VAL B 53 -12.357 12.152 -5.483 1.00 0.53 H new ATOM 0 HB VAL B 53 -13.304 12.304 -2.624 1.00 0.53 H new ATOM 0 HG11 VAL B 53 -10.945 12.238 -1.895 1.00 0.51 H new ATOM 0 HG12 VAL B 53 -11.459 10.699 -2.627 1.00 0.51 H new ATOM 0 HG13 VAL B 53 -10.452 11.833 -3.556 1.00 0.51 H new ATOM 0 HG21 VAL B 53 -11.918 14.355 -2.629 1.00 0.60 H new ATOM 0 HG22 VAL B 53 -11.474 14.038 -4.323 1.00 0.60 H new ATOM 0 HG23 VAL B 53 -13.165 14.393 -3.898 1.00 0.60 H new ATOM 2389 N ILE B 54 -13.769 9.657 -3.864 1.00 0.42 N ATOM 2390 CA ILE B 54 -13.809 8.221 -3.687 1.00 0.36 C ATOM 2391 C ILE B 54 -13.981 7.516 -5.016 1.00 0.38 C ATOM 2392 O ILE B 54 -13.397 6.466 -5.254 1.00 0.38 O ATOM 2393 CB ILE B 54 -14.962 7.846 -2.765 1.00 0.35 C ATOM 2394 CG1 ILE B 54 -14.669 8.400 -1.382 1.00 0.37 C ATOM 2395 CG2 ILE B 54 -15.172 6.333 -2.727 1.00 0.32 C ATOM 2396 CD1 ILE B 54 -15.760 8.124 -0.386 1.00 0.38 C ATOM 0 H ILE B 54 -14.528 10.155 -3.398 1.00 0.42 H new ATOM 0 HA ILE B 54 -12.864 7.907 -3.244 1.00 0.36 H new ATOM 0 HB ILE B 54 -15.889 8.278 -3.142 1.00 0.35 H new ATOM 0 HG12 ILE B 54 -13.736 7.970 -1.017 1.00 0.37 H new ATOM 0 HG13 ILE B 54 -14.517 9.477 -1.455 1.00 0.37 H new ATOM 0 HG21 ILE B 54 -16.002 6.097 -2.060 1.00 0.32 H new ATOM 0 HG22 ILE B 54 -15.399 5.972 -3.730 1.00 0.32 H new ATOM 0 HG23 ILE B 54 -14.266 5.849 -2.363 1.00 0.32 H new ATOM 0 HD11 ILE B 54 -15.486 8.547 0.580 1.00 0.38 H new ATOM 0 HD12 ILE B 54 -16.690 8.577 -0.730 1.00 0.38 H new ATOM 0 HD13 ILE B 54 -15.897 7.047 -0.285 1.00 0.38 H new ATOM 2408 N ASP B 55 -14.790 8.111 -5.873 1.00 0.43 N ATOM 2409 CA ASP B 55 -15.051 7.567 -7.190 1.00 0.47 C ATOM 2410 C ASP B 55 -13.772 7.552 -7.982 1.00 0.48 C ATOM 2411 O ASP B 55 -13.385 6.536 -8.531 1.00 0.49 O ATOM 2412 CB ASP B 55 -16.076 8.420 -7.920 1.00 0.54 C ATOM 2413 CG ASP B 55 -16.616 7.728 -9.152 1.00 0.85 C ATOM 2414 OD1 ASP B 55 -17.044 6.562 -9.045 1.00 1.53 O ATOM 2415 OD2 ASP B 55 -16.628 8.353 -10.233 1.00 1.43 O ATOM 0 H ASP B 55 -15.283 8.982 -5.675 1.00 0.43 H new ATOM 0 HA ASP B 55 -15.440 6.554 -7.083 1.00 0.47 H new ATOM 0 HB2 ASP B 55 -16.900 8.654 -7.245 1.00 0.54 H new ATOM 0 HB3 ASP B 55 -15.620 9.368 -8.207 1.00 0.54 H new ATOM 2420 N GLU B 56 -13.121 8.699 -8.001 1.00 0.51 N ATOM 2421 CA GLU B 56 -11.840 8.870 -8.658 1.00 0.53 C ATOM 2422 C GLU B 56 -10.856 7.772 -8.255 1.00 0.47 C ATOM 2423 O GLU B 56 -10.188 7.176 -9.107 1.00 0.49 O ATOM 2424 CB GLU B 56 -11.294 10.246 -8.293 1.00 0.58 C ATOM 2425 CG GLU B 56 -11.953 11.379 -9.064 1.00 0.69 C ATOM 2426 CD GLU B 56 -11.416 12.743 -8.688 1.00 1.06 C ATOM 2427 OE1 GLU B 56 -10.208 12.997 -8.892 1.00 1.66 O ATOM 2428 OE2 GLU B 56 -12.205 13.583 -8.209 1.00 1.77 O ATOM 0 H GLU B 56 -13.471 9.547 -7.556 1.00 0.51 H new ATOM 0 HA GLU B 56 -11.974 8.795 -9.737 1.00 0.53 H new ATOM 0 HB2 GLU B 56 -11.434 10.413 -7.225 1.00 0.58 H new ATOM 0 HB3 GLU B 56 -10.220 10.265 -8.480 1.00 0.58 H new ATOM 0 HG2 GLU B 56 -11.805 11.218 -10.132 1.00 0.69 H new ATOM 0 HG3 GLU B 56 -13.028 11.356 -8.884 1.00 0.69 H new ATOM 2435 N ILE B 57 -10.796 7.482 -6.965 1.00 0.42 N ATOM 2436 CA ILE B 57 -9.899 6.466 -6.456 1.00 0.39 C ATOM 2437 C ILE B 57 -10.386 5.075 -6.832 1.00 0.36 C ATOM 2438 O ILE B 57 -9.644 4.288 -7.404 1.00 0.37 O ATOM 2439 CB ILE B 57 -9.804 6.573 -4.938 1.00 0.40 C ATOM 2440 CG1 ILE B 57 -9.350 7.977 -4.549 1.00 0.48 C ATOM 2441 CG2 ILE B 57 -8.855 5.525 -4.393 1.00 0.59 C ATOM 2442 CD1 ILE B 57 -9.336 8.217 -3.062 1.00 1.00 C ATOM 0 H ILE B 57 -11.362 7.940 -6.251 1.00 0.42 H new ATOM 0 HA ILE B 57 -8.917 6.626 -6.900 1.00 0.39 H new ATOM 0 HB ILE B 57 -10.787 6.392 -4.503 1.00 0.40 H new ATOM 0 HG12 ILE B 57 -8.349 8.149 -4.946 1.00 0.48 H new ATOM 0 HG13 ILE B 57 -10.009 8.706 -5.020 1.00 0.48 H new ATOM 0 HG21 ILE B 57 -8.798 5.615 -3.308 1.00 0.59 H new ATOM 0 HG22 ILE B 57 -9.219 4.532 -4.657 1.00 0.59 H new ATOM 0 HG23 ILE B 57 -7.864 5.673 -4.822 1.00 0.59 H new ATOM 0 HD11 ILE B 57 -9.003 9.235 -2.861 1.00 1.00 H new ATOM 0 HD12 ILE B 57 -10.340 8.078 -2.662 1.00 1.00 H new ATOM 0 HD13 ILE B 57 -8.655 7.512 -2.586 1.00 1.00 H new ATOM 2454 N PHE B 58 -11.645 4.801 -6.514 1.00 0.35 N ATOM 2455 CA PHE B 58 -12.280 3.522 -6.808 1.00 0.36 C ATOM 2456 C PHE B 58 -12.081 3.144 -8.268 1.00 0.41 C ATOM 2457 O PHE B 58 -11.701 2.021 -8.584 1.00 0.44 O ATOM 2458 CB PHE B 58 -13.774 3.614 -6.487 1.00 0.38 C ATOM 2459 CG PHE B 58 -14.567 2.403 -6.882 1.00 0.52 C ATOM 2460 CD1 PHE B 58 -14.597 1.286 -6.070 1.00 1.11 C ATOM 2461 CD2 PHE B 58 -15.292 2.389 -8.063 1.00 1.52 C ATOM 2462 CE1 PHE B 58 -15.333 0.176 -6.425 1.00 1.16 C ATOM 2463 CE2 PHE B 58 -16.029 1.282 -8.422 1.00 1.67 C ATOM 2464 CZ PHE B 58 -16.049 0.174 -7.601 1.00 0.93 C ATOM 0 H PHE B 58 -12.259 5.465 -6.041 1.00 0.35 H new ATOM 0 HA PHE B 58 -11.820 2.749 -6.192 1.00 0.36 H new ATOM 0 HB2 PHE B 58 -13.894 3.779 -5.416 1.00 0.38 H new ATOM 0 HB3 PHE B 58 -14.189 4.486 -6.992 1.00 0.38 H new ATOM 0 HD1 PHE B 58 -14.037 1.282 -5.146 1.00 1.11 H new ATOM 0 HD2 PHE B 58 -15.279 3.255 -8.708 1.00 1.52 H new ATOM 0 HE1 PHE B 58 -15.348 -0.691 -5.781 1.00 1.16 H new ATOM 0 HE2 PHE B 58 -16.590 1.282 -9.345 1.00 1.67 H new ATOM 0 HZ PHE B 58 -16.626 -0.695 -7.880 1.00 0.93 H new ATOM 2474 N GLN B 59 -12.328 4.106 -9.143 1.00 0.45 N ATOM 2475 CA GLN B 59 -12.165 3.917 -10.574 1.00 0.52 C ATOM 2476 C GLN B 59 -10.707 3.623 -10.908 1.00 0.52 C ATOM 2477 O GLN B 59 -10.410 2.863 -11.828 1.00 0.57 O ATOM 2478 CB GLN B 59 -12.620 5.171 -11.329 1.00 0.58 C ATOM 2479 CG GLN B 59 -14.096 5.520 -11.159 1.00 0.61 C ATOM 2480 CD GLN B 59 -15.033 4.364 -11.455 1.00 1.10 C ATOM 2481 OE1 GLN B 59 -14.733 3.482 -12.263 1.00 1.91 O ATOM 2482 NE2 GLN B 59 -16.190 4.372 -10.812 1.00 1.63 N ATOM 0 H GLN B 59 -12.647 5.039 -8.881 1.00 0.45 H new ATOM 0 HA GLN B 59 -12.779 3.070 -10.881 1.00 0.52 H new ATOM 0 HB2 GLN B 59 -12.020 6.017 -10.994 1.00 0.58 H new ATOM 0 HB3 GLN B 59 -12.413 5.034 -12.390 1.00 0.58 H new ATOM 0 HG2 GLN B 59 -14.265 5.861 -10.137 1.00 0.61 H new ATOM 0 HG3 GLN B 59 -14.342 6.353 -11.817 1.00 0.61 H new ATOM 0 HE21 GLN B 59 -16.401 5.120 -10.151 1.00 1.63 H new ATOM 0 HE22 GLN B 59 -16.871 3.631 -10.978 1.00 1.63 H new ATOM 2491 N GLY B 60 -9.802 4.233 -10.150 1.00 0.48 N ATOM 2492 CA GLY B 60 -8.384 4.019 -10.364 1.00 0.49 C ATOM 2493 C GLY B 60 -7.935 2.632 -9.944 1.00 0.47 C ATOM 2494 O GLY B 60 -6.955 2.104 -10.469 1.00 0.53 O ATOM 0 H GLY B 60 -10.027 4.874 -9.389 1.00 0.48 H new ATOM 0 HA2 GLY B 60 -8.153 4.168 -11.419 1.00 0.49 H new ATOM 0 HA3 GLY B 60 -7.819 4.765 -9.805 1.00 0.49 H new ATOM 2498 N LEU B 61 -8.649 2.033 -9.000 1.00 0.42 N ATOM 2499 CA LEU B 61 -8.310 0.699 -8.533 1.00 0.44 C ATOM 2500 C LEU B 61 -9.020 -0.322 -9.392 1.00 0.51 C ATOM 2501 O LEU B 61 -8.423 -1.305 -9.829 1.00 0.59 O ATOM 2502 CB LEU B 61 -8.710 0.499 -7.067 1.00 0.39 C ATOM 2503 CG LEU B 61 -8.811 1.775 -6.236 1.00 0.34 C ATOM 2504 CD1 LEU B 61 -9.488 1.484 -4.911 1.00 0.31 C ATOM 2505 CD2 LEU B 61 -7.432 2.381 -6.014 1.00 0.35 C ATOM 0 H LEU B 61 -9.462 2.449 -8.546 1.00 0.42 H new ATOM 0 HA LEU B 61 -7.230 0.574 -8.608 1.00 0.44 H new ATOM 0 HB2 LEU B 61 -9.673 -0.011 -7.037 1.00 0.39 H new ATOM 0 HB3 LEU B 61 -7.984 -0.164 -6.597 1.00 0.39 H new ATOM 0 HG LEU B 61 -9.415 2.499 -6.782 1.00 0.34 H new ATOM 0 HD11 LEU B 61 -9.554 2.402 -4.327 1.00 0.31 H new ATOM 0 HD12 LEU B 61 -10.490 1.096 -5.092 1.00 0.31 H new ATOM 0 HD13 LEU B 61 -8.907 0.745 -4.360 1.00 0.31 H new ATOM 0 HD21 LEU B 61 -7.525 3.290 -5.420 1.00 0.35 H new ATOM 0 HD22 LEU B 61 -6.801 1.666 -5.487 1.00 0.35 H new ATOM 0 HD23 LEU B 61 -6.981 2.622 -6.977 1.00 0.35 H new ATOM 2517 N ASP B 62 -10.298 -0.060 -9.644 1.00 0.51 N ATOM 2518 CA ASP B 62 -11.144 -0.957 -10.421 1.00 0.59 C ATOM 2519 C ASP B 62 -10.742 -0.947 -11.888 1.00 0.70 C ATOM 2520 O ASP B 62 -11.415 -0.367 -12.743 1.00 0.75 O ATOM 2521 CB ASP B 62 -12.619 -0.571 -10.270 1.00 0.57 C ATOM 2522 CG ASP B 62 -13.549 -1.492 -11.043 1.00 0.64 C ATOM 2523 OD1 ASP B 62 -13.268 -2.707 -11.133 1.00 1.40 O ATOM 2524 OD2 ASP B 62 -14.573 -1.004 -11.563 1.00 1.11 O ATOM 0 H ASP B 62 -10.776 0.779 -9.316 1.00 0.51 H new ATOM 0 HA ASP B 62 -11.008 -1.968 -10.036 1.00 0.59 H new ATOM 0 HB2 ASP B 62 -12.889 -0.591 -9.214 1.00 0.57 H new ATOM 0 HB3 ASP B 62 -12.759 0.453 -10.615 1.00 0.57 H new ATOM 2529 N ALA B 63 -9.623 -1.587 -12.166 1.00 0.78 N ATOM 2530 CA ALA B 63 -9.140 -1.747 -13.523 1.00 0.94 C ATOM 2531 C ALA B 63 -10.033 -2.715 -14.281 1.00 1.12 C ATOM 2532 O ALA B 63 -10.010 -2.778 -15.509 1.00 1.31 O ATOM 2533 CB ALA B 63 -7.703 -2.236 -13.510 1.00 1.00 C ATOM 0 H ALA B 63 -9.024 -2.010 -11.458 1.00 0.78 H new ATOM 0 HA ALA B 63 -9.169 -0.782 -14.030 1.00 0.94 H new ATOM 0 HB1 ALA B 63 -7.349 -2.353 -14.534 1.00 1.00 H new ATOM 0 HB2 ALA B 63 -7.077 -1.511 -12.990 1.00 1.00 H new ATOM 0 HB3 ALA B 63 -7.650 -3.196 -12.996 1.00 1.00 H new ATOM 2539 N ASN B 64 -10.828 -3.468 -13.531 1.00 1.10 N ATOM 2540 CA ASN B 64 -11.750 -4.428 -14.114 1.00 1.28 C ATOM 2541 C ASN B 64 -12.935 -3.699 -14.732 1.00 1.22 C ATOM 2542 O ASN B 64 -13.637 -4.235 -15.591 1.00 1.37 O ATOM 2543 CB ASN B 64 -12.270 -5.411 -13.055 1.00 1.34 C ATOM 2544 CG ASN B 64 -11.310 -5.623 -11.896 1.00 2.04 C ATOM 2545 OD1 ASN B 64 -10.425 -6.479 -11.951 1.00 2.56 O ATOM 2546 ND2 ASN B 64 -11.491 -4.854 -10.828 1.00 2.80 N ATOM 0 H ASN B 64 -10.851 -3.430 -12.512 1.00 1.10 H new ATOM 0 HA ASN B 64 -11.211 -4.986 -14.879 1.00 1.28 H new ATOM 0 HB2 ASN B 64 -13.220 -5.044 -12.666 1.00 1.34 H new ATOM 0 HB3 ASN B 64 -12.470 -6.371 -13.530 1.00 1.34 H new ATOM 0 HD21 ASN B 64 -10.886 -4.961 -10.014 1.00 2.80 H new ATOM 0 HD22 ASN B 64 -12.235 -4.157 -10.822 1.00 2.80 H new ATOM 2553 N GLN B 65 -13.133 -2.458 -14.272 1.00 1.04 N ATOM 2554 CA GLN B 65 -14.239 -1.606 -14.706 1.00 1.06 C ATOM 2555 C GLN B 65 -15.571 -2.298 -14.471 1.00 1.04 C ATOM 2556 O GLN B 65 -16.516 -2.135 -15.243 1.00 1.17 O ATOM 2557 CB GLN B 65 -14.091 -1.219 -16.179 1.00 1.32 C ATOM 2558 CG GLN B 65 -12.872 -0.355 -16.461 1.00 1.38 C ATOM 2559 CD GLN B 65 -12.775 0.070 -17.913 1.00 2.03 C ATOM 2560 OE1 GLN B 65 -13.917 0.240 -18.563 1.00 2.72 O flip ATOM 2561 NE2 GLN B 65 -11.680 0.256 -18.444 1.00 2.58 N flip ATOM 0 H GLN B 65 -12.524 -2.016 -13.583 1.00 1.04 H new ATOM 0 HA GLN B 65 -14.212 -0.693 -14.112 1.00 1.06 H new ATOM 0 HB2 GLN B 65 -14.030 -2.126 -16.780 1.00 1.32 H new ATOM 0 HB3 GLN B 65 -14.986 -0.685 -16.498 1.00 1.32 H new ATOM 0 HG2 GLN B 65 -12.908 0.533 -15.829 1.00 1.38 H new ATOM 0 HG3 GLN B 65 -11.972 -0.905 -16.187 1.00 1.38 H new ATOM 0 HE21 GLN B 65 -10.823 0.114 -17.909 1.00 2.58 H new ATOM 0 HE22 GLN B 65 -11.630 0.552 -19.419 1.00 2.58 H new ATOM 2570 N ASP B 66 -15.645 -3.058 -13.389 1.00 0.93 N ATOM 2571 CA ASP B 66 -16.829 -3.854 -13.098 1.00 0.95 C ATOM 2572 C ASP B 66 -17.504 -3.353 -11.827 1.00 0.81 C ATOM 2573 O ASP B 66 -18.535 -3.880 -11.402 1.00 0.82 O ATOM 2574 CB ASP B 66 -16.451 -5.333 -12.962 1.00 1.06 C ATOM 2575 CG ASP B 66 -17.653 -6.254 -13.018 1.00 1.43 C ATOM 2576 OD1 ASP B 66 -18.339 -6.278 -14.062 1.00 2.14 O ATOM 2577 OD2 ASP B 66 -17.924 -6.958 -12.023 1.00 1.88 O ATOM 0 H ASP B 66 -14.900 -3.141 -12.698 1.00 0.93 H new ATOM 0 HA ASP B 66 -17.533 -3.752 -13.924 1.00 0.95 H new ATOM 0 HB2 ASP B 66 -15.757 -5.601 -13.759 1.00 1.06 H new ATOM 0 HB3 ASP B 66 -15.927 -5.484 -12.018 1.00 1.06 H new ATOM 2582 N GLU B 67 -16.913 -2.315 -11.240 1.00 0.73 N ATOM 2583 CA GLU B 67 -17.410 -1.698 -10.012 1.00 0.63 C ATOM 2584 C GLU B 67 -17.229 -2.649 -8.828 1.00 0.58 C ATOM 2585 O GLU B 67 -18.070 -2.728 -7.930 1.00 0.61 O ATOM 2586 CB GLU B 67 -18.878 -1.263 -10.163 1.00 0.68 C ATOM 2587 CG GLU B 67 -19.360 -0.321 -9.069 1.00 0.97 C ATOM 2588 CD GLU B 67 -20.791 0.126 -9.269 1.00 1.42 C ATOM 2589 OE1 GLU B 67 -21.708 -0.562 -8.778 1.00 2.01 O ATOM 2590 OE2 GLU B 67 -21.011 1.173 -9.916 1.00 2.00 O ATOM 0 H GLU B 67 -16.069 -1.875 -11.606 1.00 0.73 H new ATOM 0 HA GLU B 67 -16.825 -0.799 -9.818 1.00 0.63 H new ATOM 0 HB2 GLU B 67 -19.004 -0.775 -11.130 1.00 0.68 H new ATOM 0 HB3 GLU B 67 -19.511 -2.151 -10.169 1.00 0.68 H new ATOM 0 HG2 GLU B 67 -19.271 -0.818 -8.103 1.00 0.97 H new ATOM 0 HG3 GLU B 67 -18.712 0.555 -9.038 1.00 0.97 H new ATOM 2597 N GLN B 68 -16.113 -3.366 -8.839 1.00 0.62 N ATOM 2598 CA GLN B 68 -15.747 -4.256 -7.743 1.00 0.66 C ATOM 2599 C GLN B 68 -14.263 -4.101 -7.442 1.00 0.66 C ATOM 2600 O GLN B 68 -13.424 -4.377 -8.300 1.00 0.78 O ATOM 2601 CB GLN B 68 -16.028 -5.722 -8.103 1.00 0.86 C ATOM 2602 CG GLN B 68 -17.477 -6.034 -8.446 1.00 1.38 C ATOM 2603 CD GLN B 68 -18.426 -5.851 -7.277 1.00 1.64 C ATOM 2604 OE1 GLN B 68 -18.048 -5.998 -6.115 1.00 2.16 O ATOM 2605 NE2 GLN B 68 -19.677 -5.548 -7.580 1.00 2.07 N ATOM 0 H GLN B 68 -15.438 -3.348 -9.604 1.00 0.62 H new ATOM 0 HA GLN B 68 -16.345 -3.988 -6.872 1.00 0.66 H new ATOM 0 HB2 GLN B 68 -15.402 -5.998 -8.951 1.00 0.86 H new ATOM 0 HB3 GLN B 68 -15.725 -6.350 -7.265 1.00 0.86 H new ATOM 0 HG2 GLN B 68 -17.795 -5.391 -9.267 1.00 1.38 H new ATOM 0 HG3 GLN B 68 -17.545 -7.062 -8.802 1.00 1.38 H new ATOM 0 HE21 GLN B 68 -19.952 -5.434 -8.556 1.00 2.07 H new ATOM 0 HE22 GLN B 68 -20.367 -5.428 -6.838 1.00 2.07 H new ATOM 2614 N VAL B 69 -13.934 -3.657 -6.240 1.00 0.59 N ATOM 2615 CA VAL B 69 -12.545 -3.549 -5.837 1.00 0.64 C ATOM 2616 C VAL B 69 -12.113 -4.761 -5.025 1.00 0.64 C ATOM 2617 O VAL B 69 -12.514 -4.937 -3.874 1.00 0.68 O ATOM 2618 CB VAL B 69 -12.265 -2.258 -5.037 1.00 0.72 C ATOM 2619 CG1 VAL B 69 -12.202 -1.064 -5.972 1.00 1.81 C ATOM 2620 CG2 VAL B 69 -13.323 -2.033 -3.960 1.00 1.22 C ATOM 0 H VAL B 69 -14.607 -3.367 -5.531 1.00 0.59 H new ATOM 0 HA VAL B 69 -11.960 -3.507 -6.756 1.00 0.64 H new ATOM 0 HB VAL B 69 -11.301 -2.372 -4.541 1.00 0.72 H new ATOM 0 HG11 VAL B 69 -12.004 -0.160 -5.395 1.00 1.81 H new ATOM 0 HG12 VAL B 69 -11.403 -1.213 -6.699 1.00 1.81 H new ATOM 0 HG13 VAL B 69 -13.153 -0.960 -6.494 1.00 1.81 H new ATOM 0 HG21 VAL B 69 -13.098 -1.117 -3.415 1.00 1.22 H new ATOM 0 HG22 VAL B 69 -14.304 -1.946 -4.427 1.00 1.22 H new ATOM 0 HG23 VAL B 69 -13.324 -2.876 -3.269 1.00 1.22 H new ATOM 2630 N ASP B 70 -11.299 -5.604 -5.641 1.00 0.67 N ATOM 2631 CA ASP B 70 -10.733 -6.757 -4.959 1.00 0.73 C ATOM 2632 C ASP B 70 -9.698 -6.292 -3.944 1.00 0.64 C ATOM 2633 O ASP B 70 -9.400 -5.102 -3.861 1.00 0.56 O ATOM 2634 CB ASP B 70 -10.076 -7.700 -5.977 1.00 0.84 C ATOM 2635 CG ASP B 70 -9.580 -8.999 -5.373 1.00 1.38 C ATOM 2636 OD1 ASP B 70 -10.400 -9.917 -5.170 1.00 1.98 O ATOM 2637 OD2 ASP B 70 -8.364 -9.107 -5.098 1.00 2.02 O ATOM 0 H ASP B 70 -11.015 -5.510 -6.616 1.00 0.67 H new ATOM 0 HA ASP B 70 -11.529 -7.294 -4.443 1.00 0.73 H new ATOM 0 HB2 ASP B 70 -10.794 -7.927 -6.765 1.00 0.84 H new ATOM 0 HB3 ASP B 70 -9.238 -7.185 -6.448 1.00 0.84 H new ATOM 2642 N PHE B 71 -9.142 -7.214 -3.184 1.00 0.70 N ATOM 2643 CA PHE B 71 -8.040 -6.892 -2.302 1.00 0.67 C ATOM 2644 C PHE B 71 -6.870 -6.355 -3.125 1.00 0.56 C ATOM 2645 O PHE B 71 -6.078 -5.559 -2.643 1.00 0.48 O ATOM 2646 CB PHE B 71 -7.612 -8.125 -1.512 1.00 0.83 C ATOM 2647 CG PHE B 71 -8.683 -8.668 -0.603 1.00 1.12 C ATOM 2648 CD1 PHE B 71 -9.707 -9.459 -1.104 1.00 1.93 C ATOM 2649 CD2 PHE B 71 -8.658 -8.395 0.755 1.00 1.50 C ATOM 2650 CE1 PHE B 71 -10.685 -9.964 -0.268 1.00 2.18 C ATOM 2651 CE2 PHE B 71 -9.635 -8.897 1.594 1.00 1.76 C ATOM 2652 CZ PHE B 71 -10.648 -9.682 1.082 1.00 1.77 C ATOM 0 H PHE B 71 -9.435 -8.191 -3.160 1.00 0.70 H new ATOM 0 HA PHE B 71 -8.361 -6.128 -1.593 1.00 0.67 H new ATOM 0 HB2 PHE B 71 -7.311 -8.906 -2.210 1.00 0.83 H new ATOM 0 HB3 PHE B 71 -6.734 -7.876 -0.915 1.00 0.83 H new ATOM 0 HD1 PHE B 71 -9.740 -9.683 -2.160 1.00 1.93 H new ATOM 0 HD2 PHE B 71 -7.867 -7.783 1.162 1.00 1.50 H new ATOM 0 HE1 PHE B 71 -11.477 -10.578 -0.671 1.00 2.18 H new ATOM 0 HE2 PHE B 71 -9.606 -8.675 2.651 1.00 1.76 H new ATOM 0 HZ PHE B 71 -11.411 -10.075 1.737 1.00 1.77 H new ATOM 2662 N GLN B 72 -6.788 -6.793 -4.379 1.00 0.60 N ATOM 2663 CA GLN B 72 -5.794 -6.282 -5.321 1.00 0.57 C ATOM 2664 C GLN B 72 -6.050 -4.811 -5.628 1.00 0.50 C ATOM 2665 O GLN B 72 -5.130 -3.997 -5.660 1.00 0.47 O ATOM 2666 CB GLN B 72 -5.840 -7.088 -6.613 1.00 0.70 C ATOM 2667 CG GLN B 72 -4.835 -6.628 -7.652 1.00 0.75 C ATOM 2668 CD GLN B 72 -5.024 -7.311 -8.992 1.00 1.09 C ATOM 2669 OE1 GLN B 72 -6.267 -7.593 -9.350 1.00 1.67 O flip ATOM 2670 NE2 GLN B 72 -4.060 -7.550 -9.716 1.00 1.66 N flip ATOM 0 H GLN B 72 -7.403 -7.507 -4.769 1.00 0.60 H new ATOM 0 HA GLN B 72 -4.808 -6.379 -4.866 1.00 0.57 H new ATOM 0 HB2 GLN B 72 -5.658 -8.138 -6.383 1.00 0.70 H new ATOM 0 HB3 GLN B 72 -6.843 -7.024 -7.036 1.00 0.70 H new ATOM 0 HG2 GLN B 72 -4.922 -5.549 -7.783 1.00 0.75 H new ATOM 0 HG3 GLN B 72 -3.827 -6.824 -7.288 1.00 0.75 H new ATOM 0 HE21 GLN B 72 -3.117 -7.317 -9.403 1.00 1.66 H new ATOM 0 HE22 GLN B 72 -4.203 -7.981 -10.629 1.00 1.66 H new ATOM 2679 N GLU B 73 -7.308 -4.480 -5.857 1.00 0.50 N ATOM 2680 CA GLU B 73 -7.705 -3.098 -6.073 1.00 0.47 C ATOM 2681 C GLU B 73 -7.515 -2.304 -4.790 1.00 0.36 C ATOM 2682 O GLU B 73 -7.277 -1.100 -4.808 1.00 0.33 O ATOM 2683 CB GLU B 73 -9.158 -3.022 -6.535 1.00 0.56 C ATOM 2684 CG GLU B 73 -9.380 -3.435 -7.986 1.00 0.78 C ATOM 2685 CD GLU B 73 -9.248 -4.923 -8.230 1.00 1.16 C ATOM 2686 OE1 GLU B 73 -8.118 -5.413 -8.412 1.00 1.99 O ATOM 2687 OE2 GLU B 73 -10.286 -5.610 -8.265 1.00 1.82 O ATOM 0 H GLU B 73 -8.075 -5.151 -5.899 1.00 0.50 H new ATOM 0 HA GLU B 73 -7.078 -2.669 -6.854 1.00 0.47 H new ATOM 0 HB2 GLU B 73 -9.765 -3.659 -5.892 1.00 0.56 H new ATOM 0 HB3 GLU B 73 -9.516 -2.001 -6.402 1.00 0.56 H new ATOM 0 HG2 GLU B 73 -10.374 -3.113 -8.297 1.00 0.78 H new ATOM 0 HG3 GLU B 73 -8.663 -2.909 -8.616 1.00 0.78 H new ATOM 2694 N PHE B 74 -7.616 -2.993 -3.674 1.00 0.37 N ATOM 2695 CA PHE B 74 -7.343 -2.395 -2.387 1.00 0.34 C ATOM 2696 C PHE B 74 -5.837 -2.189 -2.214 1.00 0.32 C ATOM 2697 O PHE B 74 -5.401 -1.299 -1.482 1.00 0.34 O ATOM 2698 CB PHE B 74 -7.919 -3.275 -1.277 1.00 0.43 C ATOM 2699 CG PHE B 74 -7.652 -2.767 0.111 1.00 0.78 C ATOM 2700 CD1 PHE B 74 -8.271 -1.616 0.570 1.00 1.32 C ATOM 2701 CD2 PHE B 74 -6.789 -3.445 0.955 1.00 1.44 C ATOM 2702 CE1 PHE B 74 -8.033 -1.148 1.847 1.00 1.77 C ATOM 2703 CE2 PHE B 74 -6.547 -2.982 2.232 1.00 1.92 C ATOM 2704 CZ PHE B 74 -7.171 -1.833 2.680 1.00 1.90 C ATOM 0 H PHE B 74 -7.887 -3.975 -3.633 1.00 0.37 H new ATOM 0 HA PHE B 74 -7.822 -1.418 -2.328 1.00 0.34 H new ATOM 0 HB2 PHE B 74 -8.996 -3.362 -1.419 1.00 0.43 H new ATOM 0 HB3 PHE B 74 -7.503 -4.278 -1.371 1.00 0.43 H new ATOM 0 HD1 PHE B 74 -8.947 -1.079 -0.078 1.00 1.32 H new ATOM 0 HD2 PHE B 74 -6.301 -4.345 0.611 1.00 1.44 H new ATOM 0 HE1 PHE B 74 -8.520 -0.248 2.193 1.00 1.77 H new ATOM 0 HE2 PHE B 74 -5.870 -3.517 2.881 1.00 1.92 H new ATOM 0 HZ PHE B 74 -6.985 -1.471 3.680 1.00 1.90 H new ATOM 2714 N ILE B 75 -5.050 -2.998 -2.917 1.00 0.33 N ATOM 2715 CA ILE B 75 -3.611 -2.839 -2.946 1.00 0.36 C ATOM 2716 C ILE B 75 -3.264 -1.488 -3.557 1.00 0.34 C ATOM 2717 O ILE B 75 -2.426 -0.748 -3.035 1.00 0.36 O ATOM 2718 CB ILE B 75 -2.951 -3.986 -3.748 1.00 0.41 C ATOM 2719 CG1 ILE B 75 -2.250 -4.955 -2.822 1.00 0.49 C ATOM 2720 CG2 ILE B 75 -1.971 -3.470 -4.786 1.00 0.46 C ATOM 2721 CD1 ILE B 75 -3.178 -5.778 -1.973 1.00 0.67 C ATOM 0 H ILE B 75 -5.396 -3.777 -3.478 1.00 0.33 H new ATOM 0 HA ILE B 75 -3.227 -2.880 -1.927 1.00 0.36 H new ATOM 0 HB ILE B 75 -3.753 -4.504 -4.273 1.00 0.41 H new ATOM 0 HG12 ILE B 75 -1.630 -5.625 -3.418 1.00 0.49 H new ATOM 0 HG13 ILE B 75 -1.579 -4.396 -2.170 1.00 0.49 H new ATOM 0 HG21 ILE B 75 -1.533 -4.311 -5.323 1.00 0.46 H new ATOM 0 HG22 ILE B 75 -2.494 -2.822 -5.490 1.00 0.46 H new ATOM 0 HG23 ILE B 75 -1.181 -2.905 -4.291 1.00 0.46 H new ATOM 0 HD11 ILE B 75 -2.595 -6.446 -1.339 1.00 0.67 H new ATOM 0 HD12 ILE B 75 -3.781 -5.119 -1.348 1.00 0.67 H new ATOM 0 HD13 ILE B 75 -3.832 -6.367 -2.615 1.00 0.67 H new ATOM 2733 N SER B 76 -3.938 -1.159 -4.653 1.00 0.34 N ATOM 2734 CA SER B 76 -3.717 0.107 -5.315 1.00 0.36 C ATOM 2735 C SER B 76 -4.348 1.247 -4.523 1.00 0.31 C ATOM 2736 O SER B 76 -3.871 2.374 -4.562 1.00 0.33 O ATOM 2737 CB SER B 76 -4.241 0.060 -6.749 1.00 0.45 C ATOM 2738 OG SER B 76 -5.431 -0.703 -6.837 1.00 0.74 O ATOM 0 H SER B 76 -4.638 -1.754 -5.096 1.00 0.34 H new ATOM 0 HA SER B 76 -2.644 0.294 -5.360 1.00 0.36 H new ATOM 0 HB2 SER B 76 -4.429 1.074 -7.103 1.00 0.45 H new ATOM 0 HB3 SER B 76 -3.482 -0.370 -7.402 1.00 0.45 H new ATOM 0 HG SER B 76 -5.946 -0.602 -6.009 1.00 0.74 H new ATOM 2744 N LEU B 77 -5.408 0.944 -3.783 1.00 0.28 N ATOM 2745 CA LEU B 77 -6.027 1.929 -2.903 1.00 0.26 C ATOM 2746 C LEU B 77 -5.008 2.436 -1.892 1.00 0.23 C ATOM 2747 O LEU B 77 -4.864 3.641 -1.688 1.00 0.23 O ATOM 2748 CB LEU B 77 -7.250 1.309 -2.199 1.00 0.30 C ATOM 2749 CG LEU B 77 -7.984 2.185 -1.165 1.00 0.38 C ATOM 2750 CD1 LEU B 77 -7.281 2.164 0.187 1.00 1.11 C ATOM 2751 CD2 LEU B 77 -8.126 3.612 -1.671 1.00 1.14 C ATOM 0 H LEU B 77 -5.856 0.028 -3.774 1.00 0.28 H new ATOM 0 HA LEU B 77 -6.370 2.779 -3.494 1.00 0.26 H new ATOM 0 HB2 LEU B 77 -7.968 1.016 -2.965 1.00 0.30 H new ATOM 0 HB3 LEU B 77 -6.926 0.396 -1.700 1.00 0.30 H new ATOM 0 HG LEU B 77 -8.980 1.765 -1.028 1.00 0.38 H new ATOM 0 HD11 LEU B 77 -7.827 2.793 0.891 1.00 1.11 H new ATOM 0 HD12 LEU B 77 -7.248 1.142 0.564 1.00 1.11 H new ATOM 0 HD13 LEU B 77 -6.265 2.543 0.075 1.00 1.11 H new ATOM 0 HD21 LEU B 77 -8.647 4.212 -0.925 1.00 1.14 H new ATOM 0 HD22 LEU B 77 -7.137 4.034 -1.851 1.00 1.14 H new ATOM 0 HD23 LEU B 77 -8.696 3.614 -2.600 1.00 1.14 H new ATOM 2763 N VAL B 78 -4.293 1.512 -1.272 1.00 0.24 N ATOM 2764 CA VAL B 78 -3.294 1.877 -0.285 1.00 0.25 C ATOM 2765 C VAL B 78 -2.122 2.580 -0.954 1.00 0.27 C ATOM 2766 O VAL B 78 -1.456 3.401 -0.343 1.00 0.28 O ATOM 2767 CB VAL B 78 -2.796 0.652 0.492 1.00 0.29 C ATOM 2768 CG1 VAL B 78 -1.823 1.071 1.579 1.00 0.33 C ATOM 2769 CG2 VAL B 78 -3.976 -0.102 1.085 1.00 0.31 C ATOM 0 H VAL B 78 -4.386 0.509 -1.434 1.00 0.24 H new ATOM 0 HA VAL B 78 -3.764 2.558 0.425 1.00 0.25 H new ATOM 0 HB VAL B 78 -2.270 -0.011 -0.195 1.00 0.29 H new ATOM 0 HG11 VAL B 78 -1.480 0.189 2.120 1.00 0.33 H new ATOM 0 HG12 VAL B 78 -0.968 1.575 1.128 1.00 0.33 H new ATOM 0 HG13 VAL B 78 -2.321 1.750 2.271 1.00 0.33 H new ATOM 0 HG21 VAL B 78 -3.614 -0.970 1.635 1.00 0.31 H new ATOM 0 HG22 VAL B 78 -4.524 0.554 1.762 1.00 0.31 H new ATOM 0 HG23 VAL B 78 -4.638 -0.430 0.284 1.00 0.31 H new ATOM 2779 N ALA B 79 -1.884 2.258 -2.216 1.00 0.31 N ATOM 2780 CA ALA B 79 -0.905 2.981 -3.012 1.00 0.36 C ATOM 2781 C ALA B 79 -1.283 4.462 -3.065 1.00 0.33 C ATOM 2782 O ALA B 79 -0.471 5.343 -2.782 1.00 0.34 O ATOM 2783 CB ALA B 79 -0.846 2.391 -4.413 1.00 0.43 C ATOM 0 H ALA B 79 -2.355 1.501 -2.711 1.00 0.31 H new ATOM 0 HA ALA B 79 0.080 2.888 -2.556 1.00 0.36 H new ATOM 0 HB1 ALA B 79 -0.111 2.935 -5.006 1.00 0.43 H new ATOM 0 HB2 ALA B 79 -0.559 1.341 -4.354 1.00 0.43 H new ATOM 0 HB3 ALA B 79 -1.826 2.473 -4.884 1.00 0.43 H new ATOM 2789 N ILE B 80 -2.540 4.709 -3.406 1.00 0.32 N ATOM 2790 CA ILE B 80 -3.115 6.051 -3.397 1.00 0.32 C ATOM 2791 C ILE B 80 -2.965 6.686 -2.016 1.00 0.28 C ATOM 2792 O ILE B 80 -2.620 7.861 -1.888 1.00 0.31 O ATOM 2793 CB ILE B 80 -4.623 6.009 -3.785 1.00 0.34 C ATOM 2794 CG1 ILE B 80 -4.820 5.994 -5.306 1.00 0.38 C ATOM 2795 CG2 ILE B 80 -5.391 7.173 -3.167 1.00 0.36 C ATOM 2796 CD1 ILE B 80 -4.111 4.867 -6.023 1.00 0.40 C ATOM 0 H ILE B 80 -3.194 3.983 -3.698 1.00 0.32 H new ATOM 0 HA ILE B 80 -2.577 6.651 -4.131 1.00 0.32 H new ATOM 0 HB ILE B 80 -5.024 5.079 -3.383 1.00 0.34 H new ATOM 0 HG12 ILE B 80 -5.887 5.929 -5.520 1.00 0.38 H new ATOM 0 HG13 ILE B 80 -4.471 6.943 -5.714 1.00 0.38 H new ATOM 0 HG21 ILE B 80 -6.440 7.113 -3.458 1.00 0.36 H new ATOM 0 HG22 ILE B 80 -5.313 7.125 -2.081 1.00 0.36 H new ATOM 0 HG23 ILE B 80 -4.970 8.115 -3.520 1.00 0.36 H new ATOM 0 HD11 ILE B 80 -4.307 4.936 -7.093 1.00 0.40 H new ATOM 0 HD12 ILE B 80 -3.038 4.940 -5.845 1.00 0.40 H new ATOM 0 HD13 ILE B 80 -4.476 3.911 -5.649 1.00 0.40 H new ATOM 2808 N ALA B 81 -3.211 5.886 -0.995 1.00 0.23 N ATOM 2809 CA ALA B 81 -3.235 6.356 0.378 1.00 0.23 C ATOM 2810 C ALA B 81 -1.839 6.693 0.907 1.00 0.23 C ATOM 2811 O ALA B 81 -1.665 7.676 1.624 1.00 0.28 O ATOM 2812 CB ALA B 81 -3.908 5.316 1.246 1.00 0.24 C ATOM 0 H ALA B 81 -3.400 4.889 -1.095 1.00 0.23 H new ATOM 0 HA ALA B 81 -3.803 7.286 0.409 1.00 0.23 H new ATOM 0 HB1 ALA B 81 -3.929 5.663 2.279 1.00 0.24 H new ATOM 0 HB2 ALA B 81 -4.928 5.155 0.896 1.00 0.24 H new ATOM 0 HB3 ALA B 81 -3.353 4.380 1.189 1.00 0.24 H new ATOM 2818 N LEU B 82 -0.851 5.880 0.556 1.00 0.22 N ATOM 2819 CA LEU B 82 0.534 6.141 0.935 1.00 0.23 C ATOM 2820 C LEU B 82 1.013 7.419 0.278 1.00 0.24 C ATOM 2821 O LEU B 82 1.703 8.240 0.890 1.00 0.30 O ATOM 2822 CB LEU B 82 1.439 5.000 0.498 1.00 0.25 C ATOM 2823 CG LEU B 82 1.164 3.651 1.141 1.00 0.27 C ATOM 2824 CD1 LEU B 82 2.018 2.603 0.478 1.00 0.33 C ATOM 2825 CD2 LEU B 82 1.433 3.698 2.637 1.00 0.32 C ATOM 0 H LEU B 82 -0.983 5.030 0.007 1.00 0.22 H new ATOM 0 HA LEU B 82 0.576 6.236 2.020 1.00 0.23 H new ATOM 0 HB2 LEU B 82 1.355 4.889 -0.583 1.00 0.25 H new ATOM 0 HB3 LEU B 82 2.471 5.279 0.711 1.00 0.25 H new ATOM 0 HG LEU B 82 0.113 3.398 1.004 1.00 0.27 H new ATOM 0 HD11 LEU B 82 1.824 1.633 0.936 1.00 0.33 H new ATOM 0 HD12 LEU B 82 1.778 2.557 -0.584 1.00 0.33 H new ATOM 0 HD13 LEU B 82 3.070 2.859 0.602 1.00 0.33 H new ATOM 0 HD21 LEU B 82 1.229 2.721 3.074 1.00 0.32 H new ATOM 0 HD22 LEU B 82 2.476 3.963 2.811 1.00 0.32 H new ATOM 0 HD23 LEU B 82 0.787 4.444 3.100 1.00 0.32 H new ATOM 2837 N LYS B 83 0.644 7.570 -0.984 1.00 0.26 N ATOM 2838 CA LYS B 83 0.963 8.767 -1.732 1.00 0.33 C ATOM 2839 C LYS B 83 0.228 9.951 -1.122 1.00 0.31 C ATOM 2840 O LYS B 83 0.729 11.056 -1.097 1.00 0.44 O ATOM 2841 CB LYS B 83 0.571 8.593 -3.196 1.00 0.42 C ATOM 2842 CG LYS B 83 1.497 9.306 -4.159 1.00 0.66 C ATOM 2843 CD LYS B 83 2.918 8.809 -4.027 1.00 1.04 C ATOM 2844 CE LYS B 83 3.880 9.702 -4.769 1.00 0.80 C ATOM 2845 NZ LYS B 83 3.649 9.685 -6.238 1.00 1.67 N ATOM 0 H LYS B 83 0.120 6.871 -1.511 1.00 0.26 H new ATOM 0 HA LYS B 83 2.037 8.949 -1.685 1.00 0.33 H new ATOM 0 HB2 LYS B 83 0.558 7.530 -3.436 1.00 0.42 H new ATOM 0 HB3 LYS B 83 -0.444 8.964 -3.339 1.00 0.42 H new ATOM 0 HG2 LYS B 83 1.150 9.153 -5.181 1.00 0.66 H new ATOM 0 HG3 LYS B 83 1.466 10.379 -3.969 1.00 0.66 H new ATOM 0 HD2 LYS B 83 3.195 8.768 -2.974 1.00 1.04 H new ATOM 0 HD3 LYS B 83 2.988 7.793 -4.415 1.00 1.04 H new ATOM 0 HE2 LYS B 83 3.782 10.723 -4.400 1.00 0.80 H new ATOM 0 HE3 LYS B 83 4.902 9.384 -4.561 1.00 0.80 H new ATOM 0 HZ1 LYS B 83 4.334 10.313 -6.704 1.00 1.67 H new ATOM 0 HZ2 LYS B 83 3.768 8.716 -6.597 1.00 1.67 H new ATOM 0 HZ3 LYS B 83 2.683 10.014 -6.441 1.00 1.67 H new ATOM 2859 N ALA B 84 -0.959 9.703 -0.606 1.00 0.31 N ATOM 2860 CA ALA B 84 -1.717 10.736 0.078 1.00 0.35 C ATOM 2861 C ALA B 84 -1.075 11.095 1.416 1.00 0.33 C ATOM 2862 O ALA B 84 -1.303 12.175 1.948 1.00 0.40 O ATOM 2863 CB ALA B 84 -3.152 10.288 0.284 1.00 0.48 C ATOM 0 H ALA B 84 -1.422 8.795 -0.646 1.00 0.31 H new ATOM 0 HA ALA B 84 -1.713 11.628 -0.548 1.00 0.35 H new ATOM 0 HB1 ALA B 84 -3.708 11.072 0.798 1.00 0.48 H new ATOM 0 HB2 ALA B 84 -3.614 10.090 -0.683 1.00 0.48 H new ATOM 0 HB3 ALA B 84 -3.167 9.379 0.886 1.00 0.48 H new ATOM 2869 N ALA B 85 -0.289 10.176 1.961 1.00 0.30 N ATOM 2870 CA ALA B 85 0.379 10.396 3.238 1.00 0.38 C ATOM 2871 C ALA B 85 1.683 11.182 3.068 1.00 0.44 C ATOM 2872 O ALA B 85 1.829 12.272 3.613 1.00 0.57 O ATOM 2873 CB ALA B 85 0.640 9.065 3.924 1.00 0.42 C ATOM 0 H ALA B 85 -0.098 9.268 1.537 1.00 0.30 H new ATOM 0 HA ALA B 85 -0.281 10.996 3.864 1.00 0.38 H new ATOM 0 HB1 ALA B 85 1.139 9.239 4.877 1.00 0.42 H new ATOM 0 HB2 ALA B 85 -0.307 8.554 4.098 1.00 0.42 H new ATOM 0 HB3 ALA B 85 1.275 8.447 3.289 1.00 0.42 H new ATOM 2879 N HIS B 86 2.627 10.632 2.306 1.00 0.44 N ATOM 2880 CA HIS B 86 3.919 11.298 2.093 1.00 0.59 C ATOM 2881 C HIS B 86 3.788 12.431 1.082 1.00 0.63 C ATOM 2882 O HIS B 86 4.292 13.531 1.282 1.00 0.72 O ATOM 2883 CB HIS B 86 4.997 10.285 1.642 1.00 0.69 C ATOM 2884 CG HIS B 86 5.949 10.811 0.595 1.00 1.28 C ATOM 2885 ND1 HIS B 86 7.053 11.579 0.897 1.00 2.06 N ATOM 2886 CD2 HIS B 86 5.926 10.709 -0.757 1.00 2.11 C ATOM 2887 CE1 HIS B 86 7.664 11.928 -0.220 1.00 2.66 C ATOM 2888 NE2 HIS B 86 7.001 11.412 -1.235 1.00 2.68 N ATOM 0 H HIS B 86 2.527 9.736 1.828 1.00 0.44 H new ATOM 0 HA HIS B 86 4.234 11.727 3.044 1.00 0.59 H new ATOM 0 HB2 HIS B 86 5.572 9.973 2.514 1.00 0.69 H new ATOM 0 HB3 HIS B 86 4.502 9.396 1.251 1.00 0.69 H new ATOM 0 HD2 HIS B 86 5.197 10.174 -1.347 1.00 2.11 H new ATOM 0 HE1 HIS B 86 8.556 12.533 -0.290 1.00 2.66 H new ATOM 0 HE2 HIS B 86 7.248 11.519 -2.219 1.00 2.68 H new ATOM 2897 N TYR B 87 3.116 12.128 -0.004 1.00 0.58 N ATOM 2898 CA TYR B 87 2.908 13.062 -1.107 1.00 0.65 C ATOM 2899 C TYR B 87 1.661 13.907 -0.833 1.00 0.62 C ATOM 2900 O TYR B 87 0.958 14.302 -1.760 1.00 0.66 O ATOM 2901 CB TYR B 87 2.825 12.318 -2.448 1.00 0.69 C ATOM 2902 CG TYR B 87 2.969 13.202 -3.671 1.00 0.87 C ATOM 2903 CD1 TYR B 87 4.134 13.922 -3.897 1.00 1.43 C ATOM 2904 CD2 TYR B 87 1.941 13.308 -4.601 1.00 1.63 C ATOM 2905 CE1 TYR B 87 4.273 14.726 -5.013 1.00 1.54 C ATOM 2906 CE2 TYR B 87 2.071 14.108 -5.720 1.00 1.80 C ATOM 2907 CZ TYR B 87 3.239 14.814 -5.922 1.00 1.29 C ATOM 2908 OH TYR B 87 3.374 15.616 -7.036 1.00 1.51 O ATOM 0 H TYR B 87 2.689 11.215 -0.157 1.00 0.58 H new ATOM 0 HA TYR B 87 3.762 13.735 -1.179 1.00 0.65 H new ATOM 0 HB2 TYR B 87 3.603 11.555 -2.474 1.00 0.69 H new ATOM 0 HB3 TYR B 87 1.868 11.799 -2.502 1.00 0.69 H new ATOM 0 HD1 TYR B 87 4.946 13.853 -3.189 1.00 1.43 H new ATOM 0 HD2 TYR B 87 1.026 12.756 -4.446 1.00 1.63 H new ATOM 0 HE1 TYR B 87 5.185 15.282 -5.172 1.00 1.54 H new ATOM 0 HE2 TYR B 87 1.263 14.180 -6.433 1.00 1.80 H new ATOM 0 HH TYR B 87 2.557 15.566 -7.576 1.00 1.51 H new ATOM 2918 N HIS B 88 1.338 14.029 0.467 1.00 0.59 N ATOM 2919 CA HIS B 88 0.168 14.765 1.011 1.00 0.62 C ATOM 2920 C HIS B 88 -0.014 16.197 0.447 1.00 0.70 C ATOM 2921 O HIS B 88 -0.738 17.013 1.018 1.00 0.76 O ATOM 2922 CB HIS B 88 0.313 14.831 2.540 1.00 0.65 C ATOM 2923 CG HIS B 88 -0.948 15.156 3.288 1.00 1.54 C ATOM 2924 ND1 HIS B 88 -1.928 14.224 3.545 1.00 2.37 N ATOM 2925 CD2 HIS B 88 -1.371 16.308 3.865 1.00 2.40 C ATOM 2926 CE1 HIS B 88 -2.896 14.783 4.245 1.00 3.26 C ATOM 2927 NE2 HIS B 88 -2.584 16.047 4.453 1.00 3.27 N ATOM 0 H HIS B 88 1.903 13.603 1.202 1.00 0.59 H new ATOM 0 HA HIS B 88 -0.722 14.216 0.703 1.00 0.62 H new ATOM 0 HB2 HIS B 88 0.690 13.872 2.895 1.00 0.65 H new ATOM 0 HB3 HIS B 88 1.066 15.580 2.786 1.00 0.65 H new ATOM 0 HD1 HIS B 88 -1.909 13.251 3.241 1.00 2.37 H new ATOM 0 HD2 HIS B 88 -0.851 17.254 3.862 1.00 2.40 H new ATOM 0 HE1 HIS B 88 -3.792 14.289 4.590 1.00 3.26 H new ATOM 2936 N THR B 89 0.610 16.485 -0.676 1.00 0.73 N ATOM 2937 CA THR B 89 0.405 17.726 -1.399 1.00 0.81 C ATOM 2938 C THR B 89 -0.858 17.602 -2.256 1.00 0.72 C ATOM 2939 O THR B 89 -1.101 18.396 -3.167 1.00 1.05 O ATOM 2940 CB THR B 89 1.624 18.017 -2.296 1.00 0.97 C ATOM 2941 OG1 THR B 89 1.528 19.323 -2.874 1.00 1.27 O ATOM 2942 CG2 THR B 89 1.745 16.967 -3.399 1.00 0.90 C ATOM 0 H THR B 89 1.282 15.858 -1.119 1.00 0.73 H new ATOM 0 HA THR B 89 0.287 18.547 -0.692 1.00 0.81 H new ATOM 0 HB THR B 89 2.517 17.975 -1.672 1.00 0.97 H new ATOM 0 HG1 THR B 89 0.610 19.478 -3.181 1.00 1.27 H new ATOM 0 HG21 THR B 89 2.612 17.191 -4.021 1.00 0.90 H new ATOM 0 HG22 THR B 89 1.865 15.981 -2.951 1.00 0.90 H new ATOM 0 HG23 THR B 89 0.845 16.979 -4.013 1.00 0.90 H new ATOM 2950 N HIS B 90 -1.645 16.577 -1.919 1.00 0.66 N ATOM 2951 CA HIS B 90 -2.852 16.184 -2.636 1.00 0.65 C ATOM 2952 C HIS B 90 -2.470 15.349 -3.835 1.00 0.94 C ATOM 2953 O HIS B 90 -2.358 15.856 -4.950 1.00 1.78 O ATOM 2954 CB HIS B 90 -3.729 17.355 -3.091 1.00 0.91 C ATOM 2955 CG HIS B 90 -4.147 18.291 -1.997 1.00 1.72 C ATOM 2956 ND1 HIS B 90 -3.934 19.650 -2.055 1.00 2.44 N ATOM 2957 CD2 HIS B 90 -4.781 18.063 -0.822 1.00 2.68 C ATOM 2958 CE1 HIS B 90 -4.416 20.218 -0.968 1.00 3.32 C ATOM 2959 NE2 HIS B 90 -4.935 19.278 -0.203 1.00 3.47 N ATOM 0 H HIS B 90 -1.450 15.982 -1.114 1.00 0.66 H new ATOM 0 HA HIS B 90 -3.454 15.615 -1.927 1.00 0.65 H new ATOM 0 HB2 HIS B 90 -3.188 17.923 -3.848 1.00 0.91 H new ATOM 0 HB3 HIS B 90 -4.623 16.956 -3.570 1.00 0.91 H new ATOM 0 HD2 HIS B 90 -5.105 17.105 -0.443 1.00 2.68 H new ATOM 0 HE1 HIS B 90 -4.390 21.274 -0.742 1.00 3.32 H new ATOM 0 HE2 HIS B 90 -5.379 19.429 0.703 1.00 3.47 H new