USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 717 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 TYR OH : rot 30:sc= 0 USER MOD Set 1.2: A 50 LYS NZ :NH3+ -108:sc= -0.536 (180deg=-2.1!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.679 K(o=-0.68,f=-2.4!) USER MOD Single : A 18 ASN : amide:sc= -4.61! C(o=-4.6!,f=-14!) USER MOD Single : A 34 THR OG1 : rot -48:sc= 1.15 USER MOD Single : A 37 SER OG : rot -27:sc= 0.421 USER MOD Single : A 39 SER OG : rot 170:sc= -1.38 USER MOD Single : A 41 TYR OH : rot 169:sc= -0.514 USER MOD Single : A 42 LYS NZ :NH3+ -136:sc= 1.36 (180deg=0.328) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.0896 K(o=-0.09,f=-1.6) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 160:sc= -0.0232 (180deg=-0.252) USER MOD Single : A 72 HIS :FLIP no HD1:sc= -3.98 F(o=-4.9!,f=-4) USER MOD Single : A 78 ASN : amide:sc= -2.86 K(o=-2.9,f=-15!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 149:sc= -0.0409 (180deg=-1.05) USER MOD Single : A 90 GLN : amide:sc= -4.31! C(o=-4.3!,f=-11!) USER MOD Single : A 95 CYS SG : rot 180:sc= -0.342 USER MOD Single : A 97 SER OG : rot -12:sc= 0.88 USER MOD Single : A 98 GLN : amide:sc= -2.54! C(o=-2.5!,f=-8.5!) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ -166:sc=-0.00638 (180deg=-0.269) USER MOD Single : A 107 SER OG : rot -69:sc= 0.355 USER MOD ----------------------------------------------------------------- ATOM 66 N VAL A 8 10.088 11.977 4.609 1.00 0.00 N ATOM 67 CA VAL A 8 8.837 11.230 4.537 1.00 0.00 C ATOM 68 C VAL A 8 7.710 12.098 3.990 1.00 0.00 C ATOM 69 O VAL A 8 7.706 13.316 4.171 1.00 0.00 O ATOM 70 CB VAL A 8 8.428 10.687 5.919 1.00 0.00 C ATOM 71 CG1 VAL A 8 7.338 9.636 5.778 1.00 0.00 C ATOM 72 CG2 VAL A 8 9.637 10.119 6.647 1.00 0.00 C ATOM 0 HA VAL A 8 9.007 10.392 3.861 1.00 0.00 H new ATOM 0 HB VAL A 8 8.030 11.511 6.511 1.00 0.00 H new ATOM 0 HG11 VAL A 8 7.062 9.264 6.764 1.00 0.00 H new ATOM 0 HG12 VAL A 8 6.465 10.079 5.300 1.00 0.00 H new ATOM 0 HG13 VAL A 8 7.705 8.810 5.168 1.00 0.00 H new ATOM 0 HG21 VAL A 8 9.330 9.740 7.622 1.00 0.00 H new ATOM 0 HG22 VAL A 8 10.066 9.307 6.060 1.00 0.00 H new ATOM 0 HG23 VAL A 8 10.382 10.903 6.781 1.00 0.00 H new ATOM 82 N ILE A 9 6.753 11.463 3.320 1.00 0.00 N ATOM 83 CA ILE A 9 5.619 12.177 2.748 1.00 0.00 C ATOM 84 C ILE A 9 4.342 11.900 3.534 1.00 0.00 C ATOM 85 O ILE A 9 3.493 12.778 3.689 1.00 0.00 O ATOM 86 CB ILE A 9 5.395 11.790 1.274 1.00 0.00 C ATOM 87 CG1 ILE A 9 6.650 12.086 0.451 1.00 0.00 C ATOM 88 CG2 ILE A 9 4.195 12.533 0.708 1.00 0.00 C ATOM 89 CD1 ILE A 9 6.563 11.600 -0.979 1.00 0.00 C ATOM 0 H ILE A 9 6.741 10.456 3.160 1.00 0.00 H new ATOM 0 HA ILE A 9 5.855 13.240 2.804 1.00 0.00 H new ATOM 0 HB ILE A 9 5.192 10.720 1.220 1.00 0.00 H new ATOM 0 HG12 ILE A 9 6.829 13.161 0.451 1.00 0.00 H new ATOM 0 HG13 ILE A 9 7.509 11.620 0.933 1.00 0.00 H new ATOM 0 HG21 ILE A 9 4.050 12.249 -0.334 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.304 12.276 1.282 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.370 13.607 0.770 1.00 0.00 H new ATOM 0 HD11 ILE A 9 7.487 11.844 -1.503 1.00 0.00 H new ATOM 0 HD12 ILE A 9 6.415 10.520 -0.988 1.00 0.00 H new ATOM 0 HD13 ILE A 9 5.724 12.086 -1.478 1.00 0.00 H new ATOM 101 N ARG A 10 4.213 10.674 4.031 1.00 0.00 N ATOM 102 CA ARG A 10 3.040 10.281 4.802 1.00 0.00 C ATOM 103 C ARG A 10 3.280 8.956 5.520 1.00 0.00 C ATOM 104 O ARG A 10 3.903 8.046 4.972 1.00 0.00 O ATOM 105 CB ARG A 10 1.819 10.164 3.888 1.00 0.00 C ATOM 106 CG ARG A 10 0.551 9.748 4.616 1.00 0.00 C ATOM 107 CD ARG A 10 -0.253 10.957 5.069 1.00 0.00 C ATOM 108 NE ARG A 10 0.220 11.481 6.348 1.00 0.00 N ATOM 109 CZ ARG A 10 1.127 12.445 6.456 1.00 0.00 C ATOM 110 NH1 ARG A 10 1.657 12.987 5.368 1.00 0.00 N ATOM 111 NH2 ARG A 10 1.507 12.869 7.655 1.00 0.00 N ATOM 0 H ARG A 10 4.907 9.936 3.913 1.00 0.00 H new ATOM 0 HA ARG A 10 2.853 11.051 5.550 1.00 0.00 H new ATOM 0 HB2 ARG A 10 1.649 11.123 3.399 1.00 0.00 H new ATOM 0 HB3 ARG A 10 2.032 9.439 3.103 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.060 9.128 3.960 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.810 9.137 5.481 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -0.190 11.738 4.312 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.304 10.681 5.157 1.00 0.00 H new ATOM 0 HE ARG A 10 -0.167 11.085 7.204 1.00 0.00 H new ATOM 0 HH11 ARG A 10 1.368 12.664 4.445 1.00 0.00 H new ATOM 0 HH12 ARG A 10 2.353 13.727 5.454 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.102 12.454 8.494 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.204 13.609 7.737 1.00 0.00 H new ATOM 125 N ARG A 11 2.782 8.855 6.748 1.00 0.00 N ATOM 126 CA ARG A 11 2.944 7.643 7.541 1.00 0.00 C ATOM 127 C ARG A 11 1.644 7.281 8.253 1.00 0.00 C ATOM 128 O ARG A 11 0.784 8.135 8.469 1.00 0.00 O ATOM 129 CB ARG A 11 4.066 7.823 8.565 1.00 0.00 C ATOM 130 CG ARG A 11 5.414 8.143 7.941 1.00 0.00 C ATOM 131 CD ARG A 11 6.560 7.758 8.863 1.00 0.00 C ATOM 132 NE ARG A 11 6.660 8.650 10.015 1.00 0.00 N ATOM 133 CZ ARG A 11 7.624 8.569 10.926 1.00 0.00 C ATOM 134 NH1 ARG A 11 8.565 7.642 10.819 1.00 0.00 N ATOM 135 NH2 ARG A 11 7.646 9.417 11.946 1.00 0.00 N ATOM 0 H ARG A 11 2.263 9.598 7.215 1.00 0.00 H new ATOM 0 HA ARG A 11 3.206 6.829 6.865 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.794 8.624 9.252 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.156 6.912 9.157 1.00 0.00 H new ATOM 0 HG2 ARG A 11 5.513 7.612 6.994 1.00 0.00 H new ATOM 0 HG3 ARG A 11 5.468 9.208 7.716 1.00 0.00 H new ATOM 0 HD2 ARG A 11 6.418 6.734 9.209 1.00 0.00 H new ATOM 0 HD3 ARG A 11 7.496 7.780 8.306 1.00 0.00 H new ATOM 0 HE ARG A 11 5.951 9.375 10.126 1.00 0.00 H new ATOM 0 HH11 ARG A 11 8.550 6.989 10.036 1.00 0.00 H new ATOM 0 HH12 ARG A 11 9.304 7.582 11.520 1.00 0.00 H new ATOM 0 HH21 ARG A 11 6.923 10.131 12.031 1.00 0.00 H new ATOM 0 HH22 ARG A 11 8.386 9.355 12.645 1.00 0.00 H new ATOM 149 N GLY A 12 1.507 6.009 8.616 1.00 0.00 N ATOM 150 CA GLY A 12 0.309 5.557 9.299 1.00 0.00 C ATOM 151 C GLY A 12 0.089 4.064 9.157 1.00 0.00 C ATOM 152 O GLY A 12 0.502 3.461 8.166 1.00 0.00 O ATOM 0 H GLY A 12 2.204 5.284 8.449 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.379 5.812 10.356 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.555 6.088 8.900 1.00 0.00 H new ATOM 156 N TRP A 13 -0.562 3.467 10.148 1.00 0.00 N ATOM 157 CA TRP A 13 -0.834 2.034 10.130 1.00 0.00 C ATOM 158 C TRP A 13 -1.935 1.702 9.128 1.00 0.00 C ATOM 159 O TRP A 13 -2.993 2.332 9.122 1.00 0.00 O ATOM 160 CB TRP A 13 -1.236 1.553 11.525 1.00 0.00 C ATOM 161 CG TRP A 13 -0.176 1.782 12.560 1.00 0.00 C ATOM 162 CD1 TRP A 13 0.259 2.987 13.035 1.00 0.00 C ATOM 163 CD2 TRP A 13 0.582 0.781 13.247 1.00 0.00 C ATOM 164 NE1 TRP A 13 1.242 2.794 13.975 1.00 0.00 N ATOM 165 CE2 TRP A 13 1.458 1.450 14.124 1.00 0.00 C ATOM 166 CE3 TRP A 13 0.605 -0.616 13.207 1.00 0.00 C ATOM 167 CZ2 TRP A 13 2.347 0.768 14.951 1.00 0.00 C ATOM 168 CZ3 TRP A 13 1.488 -1.291 14.029 1.00 0.00 C ATOM 169 CH2 TRP A 13 2.348 -0.599 14.892 1.00 0.00 C ATOM 0 H TRP A 13 -0.912 3.952 10.974 1.00 0.00 H new ATOM 0 HA TRP A 13 0.077 1.520 9.825 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -2.148 2.066 11.830 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -1.468 0.489 11.482 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -0.115 3.949 12.718 1.00 0.00 H new ATOM 0 HE1 TRP A 13 1.732 3.532 14.480 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -0.055 -1.158 12.546 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 3.012 1.299 15.616 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 1.515 -2.370 14.006 1.00 0.00 H new ATOM 0 HH2 TRP A 13 3.025 -1.156 15.523 1.00 0.00 H new ATOM 180 N LEU A 14 -1.679 0.711 8.282 1.00 0.00 N ATOM 181 CA LEU A 14 -2.649 0.295 7.275 1.00 0.00 C ATOM 182 C LEU A 14 -3.045 -1.165 7.471 1.00 0.00 C ATOM 183 O LEU A 14 -2.621 -1.812 8.429 1.00 0.00 O ATOM 184 CB LEU A 14 -2.074 0.495 5.872 1.00 0.00 C ATOM 185 CG LEU A 14 -2.164 1.913 5.306 1.00 0.00 C ATOM 186 CD1 LEU A 14 -1.481 1.991 3.950 1.00 0.00 C ATOM 187 CD2 LEU A 14 -3.616 2.355 5.200 1.00 0.00 C ATOM 0 H LEU A 14 -0.808 0.180 8.273 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.540 0.912 7.387 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.026 0.196 5.885 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.590 -0.181 5.190 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.649 2.589 5.989 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.555 3.007 3.563 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.431 1.719 4.055 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.967 1.303 3.258 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.660 3.366 4.795 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.156 1.676 4.540 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.074 2.340 6.189 1.00 0.00 H new ATOM 199 N THR A 15 -3.860 -1.680 6.555 1.00 0.00 N ATOM 200 CA THR A 15 -4.312 -3.063 6.626 1.00 0.00 C ATOM 201 C THR A 15 -4.253 -3.732 5.257 1.00 0.00 C ATOM 202 O THR A 15 -4.969 -3.342 4.334 1.00 0.00 O ATOM 203 CB THR A 15 -5.751 -3.157 7.168 1.00 0.00 C ATOM 204 OG1 THR A 15 -5.859 -2.430 8.397 1.00 0.00 O ATOM 205 CG2 THR A 15 -6.151 -4.607 7.394 1.00 0.00 C ATOM 0 H THR A 15 -4.220 -1.159 5.755 1.00 0.00 H new ATOM 0 HA THR A 15 -3.639 -3.580 7.310 1.00 0.00 H new ATOM 0 HB THR A 15 -6.424 -2.723 6.428 1.00 0.00 H new ATOM 0 HG1 THR A 15 -6.777 -2.493 8.735 1.00 0.00 H new ATOM 0 HG21 THR A 15 -7.171 -4.648 7.777 1.00 0.00 H new ATOM 0 HG22 THR A 15 -6.095 -5.151 6.451 1.00 0.00 H new ATOM 0 HG23 THR A 15 -5.474 -5.063 8.116 1.00 0.00 H new ATOM 213 N ILE A 16 -3.397 -4.740 5.133 1.00 0.00 N ATOM 214 CA ILE A 16 -3.246 -5.464 3.876 1.00 0.00 C ATOM 215 C ILE A 16 -4.333 -6.522 3.718 1.00 0.00 C ATOM 216 O ILE A 16 -4.200 -7.641 4.210 1.00 0.00 O ATOM 217 CB ILE A 16 -1.867 -6.142 3.779 1.00 0.00 C ATOM 218 CG1 ILE A 16 -0.753 -5.113 3.983 1.00 0.00 C ATOM 219 CG2 ILE A 16 -1.713 -6.838 2.435 1.00 0.00 C ATOM 220 CD1 ILE A 16 0.632 -5.720 4.012 1.00 0.00 C ATOM 0 H ILE A 16 -2.797 -5.074 5.887 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.337 -4.730 3.076 1.00 0.00 H new ATOM 0 HB ILE A 16 -1.791 -6.892 4.566 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.801 -4.375 3.183 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.927 -4.581 4.918 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.733 -7.313 2.381 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.489 -7.595 2.326 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.806 -6.105 1.633 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.371 -4.933 4.160 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.698 -6.438 4.830 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.827 -6.228 3.067 1.00 0.00 H new ATOM 232 N ASN A 17 -5.408 -6.159 3.026 1.00 0.00 N ATOM 233 CA ASN A 17 -6.518 -7.078 2.801 1.00 0.00 C ATOM 234 C ASN A 17 -6.067 -8.288 1.987 1.00 0.00 C ATOM 235 O ASN A 17 -6.475 -9.416 2.256 1.00 0.00 O ATOM 236 CB ASN A 17 -7.662 -6.362 2.080 1.00 0.00 C ATOM 237 CG ASN A 17 -8.630 -5.702 3.043 1.00 0.00 C ATOM 238 OD1 ASN A 17 -8.550 -5.903 4.255 1.00 0.00 O ATOM 239 ND2 ASN A 17 -9.551 -4.911 2.506 1.00 0.00 N ATOM 0 H ASN A 17 -5.534 -5.236 2.612 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.871 -7.427 3.772 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -7.250 -5.608 1.410 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -8.202 -7.078 1.460 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -10.230 -4.440 3.104 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.579 -4.774 1.496 1.00 0.00 H new ATOM 246 N ASN A 18 -5.222 -8.042 0.991 1.00 0.00 N ATOM 247 CA ASN A 18 -4.715 -9.110 0.138 1.00 0.00 C ATOM 248 C ASN A 18 -4.147 -10.252 0.975 1.00 0.00 C ATOM 249 O ASN A 18 -4.752 -11.320 1.077 1.00 0.00 O ATOM 250 CB ASN A 18 -3.637 -8.570 -0.805 1.00 0.00 C ATOM 251 CG ASN A 18 -3.177 -9.608 -1.811 1.00 0.00 C ATOM 252 OD1 ASN A 18 -3.041 -10.787 -1.486 1.00 0.00 O ATOM 253 ND2 ASN A 18 -2.935 -9.171 -3.042 1.00 0.00 N ATOM 0 H ASN A 18 -4.874 -7.113 0.755 1.00 0.00 H new ATOM 0 HA ASN A 18 -5.547 -9.494 -0.453 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.025 -7.700 -1.336 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -2.782 -8.231 -0.220 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -2.623 -9.822 -3.762 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -3.061 -8.184 -3.267 1.00 0.00 H new ATOM 395 N GLU A 28 -2.362 -5.885 9.812 1.00 0.00 N ATOM 396 CA GLU A 28 -1.952 -4.522 10.129 1.00 0.00 C ATOM 397 C GLU A 28 -0.446 -4.351 9.952 1.00 0.00 C ATOM 398 O GLU A 28 0.333 -5.255 10.257 1.00 0.00 O ATOM 399 CB GLU A 28 -2.351 -4.166 11.563 1.00 0.00 C ATOM 400 CG GLU A 28 -1.510 -3.056 12.171 1.00 0.00 C ATOM 401 CD GLU A 28 -0.177 -3.556 12.697 1.00 0.00 C ATOM 402 OE1 GLU A 28 -0.171 -4.255 13.731 1.00 0.00 O ATOM 403 OE2 GLU A 28 0.859 -3.246 12.072 1.00 0.00 O ATOM 0 HA GLU A 28 -2.460 -3.848 9.440 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.399 -3.865 11.576 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.268 -5.056 12.186 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.334 -2.285 11.420 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.065 -2.588 12.984 1.00 0.00 H new ATOM 410 N TYR A 29 -0.043 -3.187 9.455 1.00 0.00 N ATOM 411 CA TYR A 29 1.369 -2.898 9.233 1.00 0.00 C ATOM 412 C TYR A 29 1.627 -1.394 9.258 1.00 0.00 C ATOM 413 O TYR A 29 0.704 -0.592 9.121 1.00 0.00 O ATOM 414 CB TYR A 29 1.827 -3.484 7.897 1.00 0.00 C ATOM 415 CG TYR A 29 2.155 -4.958 7.963 1.00 0.00 C ATOM 416 CD1 TYR A 29 1.175 -5.918 7.741 1.00 0.00 C ATOM 417 CD2 TYR A 29 3.444 -5.392 8.248 1.00 0.00 C ATOM 418 CE1 TYR A 29 1.469 -7.267 7.801 1.00 0.00 C ATOM 419 CE2 TYR A 29 3.747 -6.738 8.308 1.00 0.00 C ATOM 420 CZ TYR A 29 2.757 -7.671 8.085 1.00 0.00 C ATOM 421 OH TYR A 29 3.055 -9.013 8.145 1.00 0.00 O ATOM 0 H TYR A 29 -0.674 -2.428 9.198 1.00 0.00 H new ATOM 0 HA TYR A 29 1.940 -3.360 10.039 1.00 0.00 H new ATOM 0 HB2 TYR A 29 1.045 -3.327 7.154 1.00 0.00 H new ATOM 0 HB3 TYR A 29 2.707 -2.940 7.554 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.166 -5.604 7.518 1.00 0.00 H new ATOM 0 HD2 TYR A 29 4.222 -4.664 8.426 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.695 -8.000 7.627 1.00 0.00 H new ATOM 0 HE2 TYR A 29 4.755 -7.058 8.529 1.00 0.00 H new ATOM 0 HH TYR A 29 2.464 -9.507 7.539 1.00 0.00 H new ATOM 431 N TRP A 30 2.890 -1.021 9.431 1.00 0.00 N ATOM 432 CA TRP A 30 3.272 0.386 9.473 1.00 0.00 C ATOM 433 C TRP A 30 3.886 0.823 8.148 1.00 0.00 C ATOM 434 O TRP A 30 5.086 0.660 7.925 1.00 0.00 O ATOM 435 CB TRP A 30 4.260 0.634 10.614 1.00 0.00 C ATOM 436 CG TRP A 30 4.836 2.018 10.610 1.00 0.00 C ATOM 437 CD1 TRP A 30 6.085 2.385 10.196 1.00 0.00 C ATOM 438 CD2 TRP A 30 4.186 3.217 11.044 1.00 0.00 C ATOM 439 NE1 TRP A 30 6.250 3.741 10.346 1.00 0.00 N ATOM 440 CE2 TRP A 30 5.099 4.275 10.863 1.00 0.00 C ATOM 441 CE3 TRP A 30 2.921 3.502 11.565 1.00 0.00 C ATOM 442 CZ2 TRP A 30 4.786 5.592 11.187 1.00 0.00 C ATOM 443 CZ3 TRP A 30 2.612 4.810 11.886 1.00 0.00 C ATOM 444 CH2 TRP A 30 3.540 5.842 11.695 1.00 0.00 C ATOM 0 H TRP A 30 3.666 -1.673 9.544 1.00 0.00 H new ATOM 0 HA TRP A 30 2.372 0.976 9.647 1.00 0.00 H new ATOM 0 HB2 TRP A 30 3.757 0.460 11.565 1.00 0.00 H new ATOM 0 HB3 TRP A 30 5.072 -0.090 10.546 1.00 0.00 H new ATOM 0 HD1 TRP A 30 6.833 1.709 9.808 1.00 0.00 H new ATOM 0 HE1 TRP A 30 7.093 4.265 10.111 1.00 0.00 H new ATOM 0 HE3 TRP A 30 2.198 2.714 11.714 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 5.501 6.388 11.043 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 1.638 5.041 12.291 1.00 0.00 H new ATOM 0 HH2 TRP A 30 3.267 6.854 11.954 1.00 0.00 H new ATOM 455 N PHE A 31 3.056 1.379 7.271 1.00 0.00 N ATOM 456 CA PHE A 31 3.518 1.838 5.966 1.00 0.00 C ATOM 457 C PHE A 31 4.100 3.246 6.060 1.00 0.00 C ATOM 458 O PHE A 31 3.502 4.138 6.660 1.00 0.00 O ATOM 459 CB PHE A 31 2.368 1.816 4.957 1.00 0.00 C ATOM 460 CG PHE A 31 2.028 0.438 4.466 1.00 0.00 C ATOM 461 CD1 PHE A 31 1.305 -0.436 5.262 1.00 0.00 C ATOM 462 CD2 PHE A 31 2.430 0.017 3.209 1.00 0.00 C ATOM 463 CE1 PHE A 31 0.991 -1.705 4.813 1.00 0.00 C ATOM 464 CE2 PHE A 31 2.119 -1.250 2.754 1.00 0.00 C ATOM 465 CZ PHE A 31 1.398 -2.112 3.557 1.00 0.00 C ATOM 0 H PHE A 31 2.060 1.522 7.440 1.00 0.00 H new ATOM 0 HA PHE A 31 4.302 1.161 5.627 1.00 0.00 H new ATOM 0 HB2 PHE A 31 1.484 2.258 5.416 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.631 2.442 4.105 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.983 -0.122 6.244 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.993 0.687 2.577 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.428 -2.378 5.443 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.439 -1.566 1.772 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.153 -3.103 3.204 1.00 0.00 H new ATOM 475 N VAL A 32 5.273 3.436 5.464 1.00 0.00 N ATOM 476 CA VAL A 32 5.937 4.734 5.479 1.00 0.00 C ATOM 477 C VAL A 32 6.242 5.212 4.064 1.00 0.00 C ATOM 478 O VAL A 32 7.277 4.869 3.491 1.00 0.00 O ATOM 479 CB VAL A 32 7.247 4.684 6.287 1.00 0.00 C ATOM 480 CG1 VAL A 32 8.011 5.992 6.146 1.00 0.00 C ATOM 481 CG2 VAL A 32 6.960 4.379 7.749 1.00 0.00 C ATOM 0 H VAL A 32 5.783 2.707 4.965 1.00 0.00 H new ATOM 0 HA VAL A 32 5.252 5.435 5.955 1.00 0.00 H new ATOM 0 HB VAL A 32 7.869 3.883 5.889 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.934 5.938 6.724 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.249 6.163 5.096 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.398 6.813 6.517 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.897 4.347 8.305 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.318 5.156 8.164 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.459 3.414 7.828 1.00 0.00 H new ATOM 491 N LEU A 33 5.336 6.006 3.505 1.00 0.00 N ATOM 492 CA LEU A 33 5.508 6.532 2.155 1.00 0.00 C ATOM 493 C LEU A 33 6.500 7.691 2.145 1.00 0.00 C ATOM 494 O LEU A 33 6.304 8.696 2.830 1.00 0.00 O ATOM 495 CB LEU A 33 4.163 6.992 1.590 1.00 0.00 C ATOM 496 CG LEU A 33 4.201 7.630 0.201 1.00 0.00 C ATOM 497 CD1 LEU A 33 4.063 6.567 -0.878 1.00 0.00 C ATOM 498 CD2 LEU A 33 3.105 8.676 0.065 1.00 0.00 C ATOM 0 H LEU A 33 4.475 6.300 3.965 1.00 0.00 H new ATOM 0 HA LEU A 33 5.904 5.733 1.528 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.493 6.133 1.555 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.726 7.709 2.285 1.00 0.00 H new ATOM 0 HG LEU A 33 5.164 8.124 0.075 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.092 7.039 -1.860 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.883 5.854 -0.794 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.114 6.044 -0.755 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.147 9.120 -0.930 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.133 8.206 0.212 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.249 9.453 0.815 1.00 0.00 H new ATOM 510 N THR A 34 7.565 7.546 1.363 1.00 0.00 N ATOM 511 CA THR A 34 8.586 8.580 1.263 1.00 0.00 C ATOM 512 C THR A 34 8.883 8.921 -0.193 1.00 0.00 C ATOM 513 O THR A 34 8.512 8.179 -1.102 1.00 0.00 O ATOM 514 CB THR A 34 9.894 8.147 1.954 1.00 0.00 C ATOM 515 OG1 THR A 34 10.458 7.021 1.272 1.00 0.00 O ATOM 516 CG2 THR A 34 9.643 7.791 3.411 1.00 0.00 C ATOM 0 H THR A 34 7.742 6.721 0.789 1.00 0.00 H new ATOM 0 HA THR A 34 8.192 9.463 1.767 1.00 0.00 H new ATOM 0 HB THR A 34 10.594 8.982 1.916 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.763 6.347 1.124 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.580 7.488 3.878 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.241 8.659 3.933 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.928 6.970 3.467 1.00 0.00 H new ATOM 524 N ALA A 35 9.555 10.047 -0.407 1.00 0.00 N ATOM 525 CA ALA A 35 9.904 10.484 -1.753 1.00 0.00 C ATOM 526 C ALA A 35 10.777 9.451 -2.457 1.00 0.00 C ATOM 527 O ALA A 35 10.860 9.428 -3.684 1.00 0.00 O ATOM 528 CB ALA A 35 10.610 11.831 -1.704 1.00 0.00 C ATOM 0 H ALA A 35 9.869 10.673 0.334 1.00 0.00 H new ATOM 0 HA ALA A 35 8.982 10.590 -2.324 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.865 12.145 -2.716 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.951 12.571 -1.249 1.00 0.00 H new ATOM 0 HB3 ALA A 35 11.521 11.743 -1.111 1.00 0.00 H new ATOM 534 N GLU A 36 11.429 8.600 -1.671 1.00 0.00 N ATOM 535 CA GLU A 36 12.298 7.566 -2.220 1.00 0.00 C ATOM 536 C GLU A 36 11.493 6.330 -2.611 1.00 0.00 C ATOM 537 O GLU A 36 11.382 5.995 -3.790 1.00 0.00 O ATOM 538 CB GLU A 36 13.378 7.185 -1.206 1.00 0.00 C ATOM 539 CG GLU A 36 14.645 8.016 -1.325 1.00 0.00 C ATOM 540 CD GLU A 36 15.779 7.476 -0.475 1.00 0.00 C ATOM 541 OE1 GLU A 36 15.500 6.973 0.634 1.00 0.00 O ATOM 542 OE2 GLU A 36 16.943 7.557 -0.918 1.00 0.00 O ATOM 0 H GLU A 36 11.372 8.606 -0.653 1.00 0.00 H new ATOM 0 HA GLU A 36 12.775 7.966 -3.115 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.975 7.295 -0.199 1.00 0.00 H new ATOM 0 HB3 GLU A 36 13.630 6.132 -1.335 1.00 0.00 H new ATOM 0 HG2 GLU A 36 14.960 8.045 -2.368 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.431 9.043 -1.028 1.00 0.00 H new ATOM 549 N SER A 37 10.933 5.655 -1.611 1.00 0.00 N ATOM 550 CA SER A 37 10.142 4.453 -1.849 1.00 0.00 C ATOM 551 C SER A 37 9.215 4.172 -0.670 1.00 0.00 C ATOM 552 O SER A 37 9.402 4.705 0.424 1.00 0.00 O ATOM 553 CB SER A 37 11.059 3.252 -2.089 1.00 0.00 C ATOM 554 OG SER A 37 12.042 3.549 -3.065 1.00 0.00 O ATOM 0 H SER A 37 11.013 5.920 -0.629 1.00 0.00 H new ATOM 0 HA SER A 37 9.533 4.618 -2.738 1.00 0.00 H new ATOM 0 HB2 SER A 37 11.544 2.968 -1.155 1.00 0.00 H new ATOM 0 HB3 SER A 37 10.466 2.397 -2.414 1.00 0.00 H new ATOM 0 HG SER A 37 11.703 4.240 -3.671 1.00 0.00 H new ATOM 560 N LEU A 38 8.214 3.330 -0.902 1.00 0.00 N ATOM 561 CA LEU A 38 7.256 2.976 0.140 1.00 0.00 C ATOM 562 C LEU A 38 7.608 1.632 0.770 1.00 0.00 C ATOM 563 O LEU A 38 7.704 0.617 0.080 1.00 0.00 O ATOM 564 CB LEU A 38 5.840 2.925 -0.438 1.00 0.00 C ATOM 565 CG LEU A 38 4.819 2.112 0.359 1.00 0.00 C ATOM 566 CD1 LEU A 38 4.389 2.870 1.605 1.00 0.00 C ATOM 567 CD2 LEU A 38 3.612 1.777 -0.506 1.00 0.00 C ATOM 0 H LEU A 38 8.045 2.880 -1.802 1.00 0.00 H new ATOM 0 HA LEU A 38 7.299 3.742 0.914 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.470 3.946 -0.530 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.895 2.514 -1.446 1.00 0.00 H new ATOM 0 HG LEU A 38 5.289 1.179 0.670 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.662 2.276 2.160 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.259 3.059 2.234 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.937 3.819 1.316 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.896 1.198 0.077 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.141 2.699 -0.847 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.933 1.193 -1.369 1.00 0.00 H new ATOM 579 N SER A 39 7.798 1.633 2.086 1.00 0.00 N ATOM 580 CA SER A 39 8.141 0.415 2.810 1.00 0.00 C ATOM 581 C SER A 39 7.271 0.258 4.052 1.00 0.00 C ATOM 582 O SER A 39 6.885 1.243 4.682 1.00 0.00 O ATOM 583 CB SER A 39 9.619 0.431 3.207 1.00 0.00 C ATOM 584 OG SER A 39 10.439 0.783 2.106 1.00 0.00 O ATOM 0 H SER A 39 7.720 2.464 2.672 1.00 0.00 H new ATOM 0 HA SER A 39 7.959 -0.433 2.151 1.00 0.00 H new ATOM 0 HB2 SER A 39 9.773 1.140 4.020 1.00 0.00 H new ATOM 0 HB3 SER A 39 9.909 -0.551 3.581 1.00 0.00 H new ATOM 0 HG SER A 39 11.354 0.944 2.418 1.00 0.00 H new ATOM 590 N TRP A 40 6.965 -0.988 4.399 1.00 0.00 N ATOM 591 CA TRP A 40 6.140 -1.275 5.567 1.00 0.00 C ATOM 592 C TRP A 40 6.934 -2.038 6.620 1.00 0.00 C ATOM 593 O TRP A 40 7.812 -2.836 6.292 1.00 0.00 O ATOM 594 CB TRP A 40 4.905 -2.081 5.158 1.00 0.00 C ATOM 595 CG TRP A 40 5.232 -3.294 4.341 1.00 0.00 C ATOM 596 CD1 TRP A 40 5.349 -4.578 4.792 1.00 0.00 C ATOM 597 CD2 TRP A 40 5.484 -3.336 2.933 1.00 0.00 C ATOM 598 NE1 TRP A 40 5.660 -5.416 3.748 1.00 0.00 N ATOM 599 CE2 TRP A 40 5.747 -4.679 2.597 1.00 0.00 C ATOM 600 CE3 TRP A 40 5.512 -2.372 1.922 1.00 0.00 C ATOM 601 CZ2 TRP A 40 6.035 -5.077 1.294 1.00 0.00 C ATOM 602 CZ3 TRP A 40 5.798 -2.768 0.630 1.00 0.00 C ATOM 603 CH2 TRP A 40 6.055 -4.111 0.324 1.00 0.00 C ATOM 0 H TRP A 40 7.276 -1.815 3.888 1.00 0.00 H new ATOM 0 HA TRP A 40 5.820 -0.326 5.998 1.00 0.00 H new ATOM 0 HB2 TRP A 40 4.368 -2.390 6.055 1.00 0.00 H new ATOM 0 HB3 TRP A 40 4.233 -1.439 4.589 1.00 0.00 H new ATOM 0 HD1 TRP A 40 5.217 -4.889 5.818 1.00 0.00 H new ATOM 0 HE1 TRP A 40 5.803 -6.423 3.819 1.00 0.00 H new ATOM 0 HE3 TRP A 40 5.313 -1.335 2.147 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 6.236 -6.111 1.057 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 5.824 -2.030 -0.158 1.00 0.00 H new ATOM 0 HH2 TRP A 40 6.273 -4.389 -0.696 1.00 0.00 H new ATOM 614 N TYR A 41 6.621 -1.788 7.887 1.00 0.00 N ATOM 615 CA TYR A 41 7.308 -2.451 8.989 1.00 0.00 C ATOM 616 C TYR A 41 6.309 -3.022 9.990 1.00 0.00 C ATOM 617 O TYR A 41 5.139 -2.638 10.006 1.00 0.00 O ATOM 618 CB TYR A 41 8.249 -1.471 9.694 1.00 0.00 C ATOM 619 CG TYR A 41 9.160 -0.721 8.749 1.00 0.00 C ATOM 620 CD1 TYR A 41 8.641 0.124 7.776 1.00 0.00 C ATOM 621 CD2 TYR A 41 10.541 -0.857 8.829 1.00 0.00 C ATOM 622 CE1 TYR A 41 9.470 0.811 6.910 1.00 0.00 C ATOM 623 CE2 TYR A 41 11.377 -0.173 7.969 1.00 0.00 C ATOM 624 CZ TYR A 41 10.837 0.660 7.011 1.00 0.00 C ATOM 625 OH TYR A 41 11.667 1.342 6.151 1.00 0.00 O ATOM 0 H TYR A 41 5.896 -1.131 8.176 1.00 0.00 H new ATOM 0 HA TYR A 41 7.892 -3.274 8.577 1.00 0.00 H new ATOM 0 HB2 TYR A 41 7.655 -0.753 10.259 1.00 0.00 H new ATOM 0 HB3 TYR A 41 8.857 -2.018 10.414 1.00 0.00 H new ATOM 0 HD1 TYR A 41 7.571 0.246 7.695 1.00 0.00 H new ATOM 0 HD2 TYR A 41 10.968 -1.509 9.577 1.00 0.00 H new ATOM 0 HE1 TYR A 41 9.050 1.463 6.158 1.00 0.00 H new ATOM 0 HE2 TYR A 41 12.448 -0.289 8.046 1.00 0.00 H new ATOM 0 HH TYR A 41 12.593 1.266 6.462 1.00 0.00 H new ATOM 635 N LYS A 42 6.778 -3.944 10.824 1.00 0.00 N ATOM 636 CA LYS A 42 5.928 -4.569 11.831 1.00 0.00 C ATOM 637 C LYS A 42 5.216 -3.515 12.673 1.00 0.00 C ATOM 638 O LYS A 42 3.988 -3.494 12.749 1.00 0.00 O ATOM 639 CB LYS A 42 6.760 -5.483 12.734 1.00 0.00 C ATOM 640 CG LYS A 42 7.473 -6.594 11.983 1.00 0.00 C ATOM 641 CD LYS A 42 8.508 -7.282 12.857 1.00 0.00 C ATOM 642 CE LYS A 42 7.870 -8.324 13.763 1.00 0.00 C ATOM 643 NZ LYS A 42 8.802 -8.773 14.834 1.00 0.00 N ATOM 0 H LYS A 42 7.743 -4.275 10.823 1.00 0.00 H new ATOM 0 HA LYS A 42 5.175 -5.165 11.316 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.499 -4.882 13.264 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.109 -5.925 13.488 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.744 -7.326 11.636 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.958 -6.183 11.098 1.00 0.00 H new ATOM 0 HD2 LYS A 42 9.259 -7.758 12.227 1.00 0.00 H new ATOM 0 HD3 LYS A 42 9.025 -6.539 13.464 1.00 0.00 H new ATOM 0 HE2 LYS A 42 6.969 -7.909 14.216 1.00 0.00 H new ATOM 0 HE3 LYS A 42 7.561 -9.183 13.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 8.753 -9.808 14.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.773 -8.492 14.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 8.532 -8.333 15.737 1.00 0.00 H new ATOM 657 N ASP A 43 5.995 -2.642 13.302 1.00 0.00 N ATOM 658 CA ASP A 43 5.439 -1.584 14.137 1.00 0.00 C ATOM 659 C ASP A 43 5.820 -0.209 13.596 1.00 0.00 C ATOM 660 O ASP A 43 6.429 -0.097 12.533 1.00 0.00 O ATOM 661 CB ASP A 43 5.928 -1.732 15.578 1.00 0.00 C ATOM 662 CG ASP A 43 5.341 -2.948 16.267 1.00 0.00 C ATOM 663 OD1 ASP A 43 5.867 -4.061 16.056 1.00 0.00 O ATOM 664 OD2 ASP A 43 4.356 -2.787 17.017 1.00 0.00 O ATOM 0 H ASP A 43 7.014 -2.646 13.249 1.00 0.00 H new ATOM 0 HA ASP A 43 4.353 -1.674 14.120 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.016 -1.805 15.584 1.00 0.00 H new ATOM 0 HB3 ASP A 43 5.665 -0.837 16.141 1.00 0.00 H new ATOM 669 N GLU A 44 5.455 0.834 14.336 1.00 0.00 N ATOM 670 CA GLU A 44 5.757 2.201 13.929 1.00 0.00 C ATOM 671 C GLU A 44 7.163 2.601 14.367 1.00 0.00 C ATOM 672 O GLU A 44 7.688 3.628 13.938 1.00 0.00 O ATOM 673 CB GLU A 44 4.732 3.171 14.519 1.00 0.00 C ATOM 674 CG GLU A 44 5.297 4.551 14.812 1.00 0.00 C ATOM 675 CD GLU A 44 4.215 5.581 15.072 1.00 0.00 C ATOM 676 OE1 GLU A 44 3.130 5.195 15.554 1.00 0.00 O ATOM 677 OE2 GLU A 44 4.455 6.775 14.793 1.00 0.00 O ATOM 0 H GLU A 44 4.950 0.758 15.219 1.00 0.00 H new ATOM 0 HA GLU A 44 5.707 2.248 12.841 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.897 3.270 13.826 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.333 2.748 15.441 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.955 4.494 15.679 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.908 4.876 13.970 1.00 0.00 H new ATOM 684 N GLU A 45 7.765 1.782 15.223 1.00 0.00 N ATOM 685 CA GLU A 45 9.110 2.052 15.720 1.00 0.00 C ATOM 686 C GLU A 45 10.160 1.669 14.682 1.00 0.00 C ATOM 687 O GLU A 45 11.341 1.980 14.836 1.00 0.00 O ATOM 688 CB GLU A 45 9.360 1.285 17.021 1.00 0.00 C ATOM 689 CG GLU A 45 8.594 1.839 18.211 1.00 0.00 C ATOM 690 CD GLU A 45 9.277 1.545 19.532 1.00 0.00 C ATOM 691 OE1 GLU A 45 9.179 0.395 20.008 1.00 0.00 O ATOM 692 OE2 GLU A 45 9.910 2.466 20.090 1.00 0.00 O ATOM 0 H GLU A 45 7.344 0.927 15.587 1.00 0.00 H new ATOM 0 HA GLU A 45 9.190 3.121 15.915 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.084 0.241 16.876 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.427 1.304 17.245 1.00 0.00 H new ATOM 0 HG2 GLU A 45 8.482 2.917 18.096 1.00 0.00 H new ATOM 0 HG3 GLU A 45 7.591 1.414 18.222 1.00 0.00 H new ATOM 699 N GLU A 46 9.721 0.993 13.625 1.00 0.00 N ATOM 700 CA GLU A 46 10.624 0.567 12.562 1.00 0.00 C ATOM 701 C GLU A 46 11.800 -0.223 13.131 1.00 0.00 C ATOM 702 O GLU A 46 12.960 0.114 12.896 1.00 0.00 O ATOM 703 CB GLU A 46 11.139 1.779 11.784 1.00 0.00 C ATOM 704 CG GLU A 46 10.033 2.635 11.190 1.00 0.00 C ATOM 705 CD GLU A 46 10.440 4.087 11.032 1.00 0.00 C ATOM 706 OE1 GLU A 46 10.954 4.668 12.011 1.00 0.00 O ATOM 707 OE2 GLU A 46 10.243 4.644 9.932 1.00 0.00 O ATOM 0 H GLU A 46 8.746 0.729 13.482 1.00 0.00 H new ATOM 0 HA GLU A 46 10.067 -0.081 11.885 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.747 2.394 12.447 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.791 1.435 10.982 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.750 2.233 10.217 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.151 2.576 11.828 1.00 0.00 H new ATOM 714 N LYS A 47 11.490 -1.275 13.881 1.00 0.00 N ATOM 715 CA LYS A 47 12.519 -2.114 14.484 1.00 0.00 C ATOM 716 C LYS A 47 13.018 -3.161 13.492 1.00 0.00 C ATOM 717 O LYS A 47 14.211 -3.235 13.203 1.00 0.00 O ATOM 718 CB LYS A 47 11.975 -2.803 15.737 1.00 0.00 C ATOM 719 CG LYS A 47 11.628 -1.839 16.859 1.00 0.00 C ATOM 720 CD LYS A 47 12.860 -1.110 17.368 1.00 0.00 C ATOM 721 CE LYS A 47 12.575 -0.373 18.667 1.00 0.00 C ATOM 722 NZ LYS A 47 12.823 -1.233 19.858 1.00 0.00 N ATOM 0 H LYS A 47 10.534 -1.567 14.086 1.00 0.00 H new ATOM 0 HA LYS A 47 13.356 -1.474 14.763 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.085 -3.373 15.471 1.00 0.00 H new ATOM 0 HB3 LYS A 47 12.715 -3.517 16.099 1.00 0.00 H new ATOM 0 HG2 LYS A 47 10.896 -1.114 16.504 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.163 -2.386 17.679 1.00 0.00 H new ATOM 0 HD2 LYS A 47 13.668 -1.824 17.524 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.202 -0.401 16.614 1.00 0.00 H new ATOM 0 HE2 LYS A 47 13.202 0.517 18.725 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.539 -0.034 18.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.617 -0.695 20.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.207 -2.070 19.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.818 -1.536 19.867 1.00 0.00 H new ATOM 736 N GLU A 48 12.095 -3.966 12.974 1.00 0.00 N ATOM 737 CA GLU A 48 12.443 -5.007 12.014 1.00 0.00 C ATOM 738 C GLU A 48 11.774 -4.750 10.667 1.00 0.00 C ATOM 739 O GLU A 48 10.600 -5.064 10.473 1.00 0.00 O ATOM 740 CB GLU A 48 12.030 -6.381 12.547 1.00 0.00 C ATOM 741 CG GLU A 48 13.013 -6.966 13.547 1.00 0.00 C ATOM 742 CD GLU A 48 12.611 -8.350 14.018 1.00 0.00 C ATOM 743 OE1 GLU A 48 11.506 -8.485 14.585 1.00 0.00 O ATOM 744 OE2 GLU A 48 13.400 -9.298 13.821 1.00 0.00 O ATOM 0 H GLU A 48 11.102 -3.917 13.203 1.00 0.00 H new ATOM 0 HA GLU A 48 13.524 -4.989 11.873 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.051 -6.299 13.018 1.00 0.00 H new ATOM 0 HB3 GLU A 48 11.924 -7.070 11.709 1.00 0.00 H new ATOM 0 HG2 GLU A 48 14.003 -7.014 13.093 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.089 -6.301 14.407 1.00 0.00 H new ATOM 751 N LYS A 49 12.531 -4.175 9.738 1.00 0.00 N ATOM 752 CA LYS A 49 12.015 -3.875 8.408 1.00 0.00 C ATOM 753 C LYS A 49 11.504 -5.140 7.725 1.00 0.00 C ATOM 754 O LYS A 49 12.084 -6.216 7.873 1.00 0.00 O ATOM 755 CB LYS A 49 13.102 -3.224 7.551 1.00 0.00 C ATOM 756 CG LYS A 49 12.564 -2.513 6.321 1.00 0.00 C ATOM 757 CD LYS A 49 13.439 -1.334 5.930 1.00 0.00 C ATOM 758 CE LYS A 49 14.531 -1.750 4.957 1.00 0.00 C ATOM 759 NZ LYS A 49 15.379 -0.596 4.548 1.00 0.00 N ATOM 0 H LYS A 49 13.505 -3.907 9.882 1.00 0.00 H new ATOM 0 HA LYS A 49 11.183 -3.180 8.517 1.00 0.00 H new ATOM 0 HB2 LYS A 49 13.654 -2.509 8.161 1.00 0.00 H new ATOM 0 HB3 LYS A 49 13.812 -3.989 7.236 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.506 -3.216 5.490 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.549 -2.165 6.515 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.823 -0.557 5.477 1.00 0.00 H new ATOM 0 HD3 LYS A 49 13.891 -0.903 6.823 1.00 0.00 H new ATOM 0 HE2 LYS A 49 15.156 -2.515 5.418 1.00 0.00 H new ATOM 0 HE3 LYS A 49 14.078 -2.199 4.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 16.111 -0.921 3.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 14.787 0.123 4.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 15.832 -0.183 5.388 1.00 0.00 H new ATOM 773 N LYS A 50 10.415 -5.003 6.975 1.00 0.00 N ATOM 774 CA LYS A 50 9.827 -6.134 6.266 1.00 0.00 C ATOM 775 C LYS A 50 10.296 -6.169 4.815 1.00 0.00 C ATOM 776 O LYS A 50 10.876 -7.157 4.364 1.00 0.00 O ATOM 777 CB LYS A 50 8.300 -6.056 6.318 1.00 0.00 C ATOM 778 CG LYS A 50 7.711 -6.534 7.634 1.00 0.00 C ATOM 779 CD LYS A 50 7.794 -8.046 7.765 1.00 0.00 C ATOM 780 CE LYS A 50 7.484 -8.500 9.183 1.00 0.00 C ATOM 781 NZ LYS A 50 6.032 -8.770 9.374 1.00 0.00 N ATOM 0 H LYS A 50 9.922 -4.120 6.843 1.00 0.00 H new ATOM 0 HA LYS A 50 10.155 -7.050 6.758 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.991 -5.025 6.144 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.886 -6.654 5.506 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.242 -6.066 8.463 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.670 -6.218 7.704 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.094 -8.511 7.071 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.792 -8.382 7.484 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.054 -9.401 9.408 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.807 -7.734 9.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.614 -8.021 9.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.558 -8.788 8.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 5.909 -9.689 9.844 1.00 0.00 H new ATOM 795 N TYR A 51 10.041 -5.086 4.089 1.00 0.00 N ATOM 796 CA TYR A 51 10.436 -4.994 2.689 1.00 0.00 C ATOM 797 C TYR A 51 10.173 -3.596 2.139 1.00 0.00 C ATOM 798 O TYR A 51 9.242 -2.914 2.566 1.00 0.00 O ATOM 799 CB TYR A 51 9.683 -6.032 1.855 1.00 0.00 C ATOM 800 CG TYR A 51 10.177 -6.139 0.430 1.00 0.00 C ATOM 801 CD1 TYR A 51 9.690 -5.293 -0.560 1.00 0.00 C ATOM 802 CD2 TYR A 51 11.129 -7.086 0.073 1.00 0.00 C ATOM 803 CE1 TYR A 51 10.138 -5.388 -1.863 1.00 0.00 C ATOM 804 CE2 TYR A 51 11.583 -7.186 -1.228 1.00 0.00 C ATOM 805 CZ TYR A 51 11.085 -6.335 -2.192 1.00 0.00 C ATOM 806 OH TYR A 51 11.534 -6.433 -3.489 1.00 0.00 O ATOM 0 H TYR A 51 9.562 -4.260 4.447 1.00 0.00 H new ATOM 0 HA TYR A 51 11.506 -5.194 2.626 1.00 0.00 H new ATOM 0 HB2 TYR A 51 9.773 -7.006 2.336 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.623 -5.778 1.845 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.949 -4.549 -0.306 1.00 0.00 H new ATOM 0 HD2 TYR A 51 11.521 -7.755 0.825 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.749 -4.724 -2.621 1.00 0.00 H new ATOM 0 HE2 TYR A 51 12.324 -7.927 -1.489 1.00 0.00 H new ATOM 0 HH TYR A 51 12.200 -7.149 -3.551 1.00 0.00 H new ATOM 816 N MET A 52 11.001 -3.176 1.188 1.00 0.00 N ATOM 817 CA MET A 52 10.857 -1.859 0.577 1.00 0.00 C ATOM 818 C MET A 52 10.324 -1.975 -0.847 1.00 0.00 C ATOM 819 O MET A 52 10.667 -2.908 -1.575 1.00 0.00 O ATOM 820 CB MET A 52 12.200 -1.126 0.573 1.00 0.00 C ATOM 821 CG MET A 52 12.188 0.160 -0.238 1.00 0.00 C ATOM 822 SD MET A 52 12.368 -0.134 -2.008 1.00 0.00 S ATOM 823 CE MET A 52 14.098 0.265 -2.244 1.00 0.00 C ATOM 0 H MET A 52 11.778 -3.728 0.824 1.00 0.00 H new ATOM 0 HA MET A 52 10.141 -1.288 1.168 1.00 0.00 H new ATOM 0 HB2 MET A 52 12.482 -0.895 1.600 1.00 0.00 H new ATOM 0 HB3 MET A 52 12.966 -1.791 0.174 1.00 0.00 H new ATOM 0 HG2 MET A 52 11.254 0.692 -0.055 1.00 0.00 H new ATOM 0 HG3 MET A 52 12.996 0.808 0.103 1.00 0.00 H new ATOM 0 HE1 MET A 52 14.362 0.131 -3.293 1.00 0.00 H new ATOM 0 HE2 MET A 52 14.275 1.301 -1.954 1.00 0.00 H new ATOM 0 HE3 MET A 52 14.711 -0.394 -1.629 1.00 0.00 H new ATOM 833 N LEU A 53 9.483 -1.025 -1.238 1.00 0.00 N ATOM 834 CA LEU A 53 8.901 -1.021 -2.576 1.00 0.00 C ATOM 835 C LEU A 53 8.932 0.380 -3.180 1.00 0.00 C ATOM 836 O LEU A 53 8.541 1.363 -2.550 1.00 0.00 O ATOM 837 CB LEU A 53 7.461 -1.536 -2.530 1.00 0.00 C ATOM 838 CG LEU A 53 6.956 -2.232 -3.794 1.00 0.00 C ATOM 839 CD1 LEU A 53 7.674 -3.557 -3.998 1.00 0.00 C ATOM 840 CD2 LEU A 53 5.451 -2.444 -3.721 1.00 0.00 C ATOM 0 H LEU A 53 9.188 -0.247 -0.648 1.00 0.00 H new ATOM 0 HA LEU A 53 9.497 -1.682 -3.205 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.372 -2.232 -1.696 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.802 -0.695 -2.315 1.00 0.00 H new ATOM 0 HG LEU A 53 7.171 -1.591 -4.649 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.301 -4.037 -4.903 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.745 -3.379 -4.097 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.491 -4.205 -3.141 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.109 -2.941 -4.629 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.212 -3.064 -2.857 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.952 -1.480 -3.625 1.00 0.00 H new ATOM 852 N PRO A 54 9.407 0.475 -4.431 1.00 0.00 N ATOM 853 CA PRO A 54 9.498 1.750 -5.148 1.00 0.00 C ATOM 854 C PRO A 54 8.128 2.304 -5.521 1.00 0.00 C ATOM 855 O PRO A 54 7.106 1.642 -5.332 1.00 0.00 O ATOM 856 CB PRO A 54 10.292 1.393 -6.407 1.00 0.00 C ATOM 857 CG PRO A 54 10.039 -0.061 -6.615 1.00 0.00 C ATOM 858 CD PRO A 54 9.891 -0.655 -5.241 1.00 0.00 C ATOM 0 HA PRO A 54 9.963 2.527 -4.541 1.00 0.00 H new ATOM 0 HB2 PRO A 54 9.960 1.979 -7.264 1.00 0.00 H new ATOM 0 HB3 PRO A 54 11.355 1.595 -6.275 1.00 0.00 H new ATOM 0 HG2 PRO A 54 9.138 -0.220 -7.208 1.00 0.00 H new ATOM 0 HG3 PRO A 54 10.863 -0.527 -7.155 1.00 0.00 H new ATOM 0 HD2 PRO A 54 9.184 -1.485 -5.236 1.00 0.00 H new ATOM 0 HD3 PRO A 54 10.839 -1.041 -4.866 1.00 0.00 H new ATOM 866 N LEU A 55 8.112 3.522 -6.053 1.00 0.00 N ATOM 867 CA LEU A 55 6.866 4.165 -6.454 1.00 0.00 C ATOM 868 C LEU A 55 6.902 4.549 -7.929 1.00 0.00 C ATOM 869 O LEU A 55 6.252 5.508 -8.348 1.00 0.00 O ATOM 870 CB LEU A 55 6.612 5.408 -5.598 1.00 0.00 C ATOM 871 CG LEU A 55 7.132 5.350 -4.161 1.00 0.00 C ATOM 872 CD1 LEU A 55 7.051 6.722 -3.509 1.00 0.00 C ATOM 873 CD2 LEU A 55 6.351 4.326 -3.351 1.00 0.00 C ATOM 0 H LEU A 55 8.948 4.083 -6.216 1.00 0.00 H new ATOM 0 HA LEU A 55 6.054 3.454 -6.302 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.067 6.265 -6.094 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.538 5.591 -5.568 1.00 0.00 H new ATOM 0 HG LEU A 55 8.177 5.042 -4.186 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.425 6.662 -2.487 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.655 7.430 -4.076 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.014 7.058 -3.497 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.735 4.299 -2.331 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.297 4.603 -3.334 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.461 3.342 -3.806 1.00 0.00 H new ATOM 885 N ASP A 56 7.663 3.794 -8.713 1.00 0.00 N ATOM 886 CA ASP A 56 7.781 4.053 -10.144 1.00 0.00 C ATOM 887 C ASP A 56 7.083 2.964 -10.952 1.00 0.00 C ATOM 888 O ASP A 56 6.468 3.240 -11.981 1.00 0.00 O ATOM 889 CB ASP A 56 9.253 4.142 -10.548 1.00 0.00 C ATOM 890 CG ASP A 56 9.800 5.552 -10.440 1.00 0.00 C ATOM 891 OD1 ASP A 56 9.101 6.494 -10.868 1.00 0.00 O ATOM 892 OD2 ASP A 56 10.927 5.713 -9.926 1.00 0.00 O ATOM 0 H ASP A 56 8.208 2.998 -8.382 1.00 0.00 H new ATOM 0 HA ASP A 56 7.296 5.006 -10.357 1.00 0.00 H new ATOM 0 HB2 ASP A 56 9.841 3.478 -9.915 1.00 0.00 H new ATOM 0 HB3 ASP A 56 9.367 3.789 -11.573 1.00 0.00 H new ATOM 897 N ASN A 57 7.184 1.726 -10.480 1.00 0.00 N ATOM 898 CA ASN A 57 6.564 0.595 -11.160 1.00 0.00 C ATOM 899 C ASN A 57 5.268 0.188 -10.467 1.00 0.00 C ATOM 900 O ASN A 57 4.894 -0.986 -10.464 1.00 0.00 O ATOM 901 CB ASN A 57 7.528 -0.593 -11.202 1.00 0.00 C ATOM 902 CG ASN A 57 8.980 -0.157 -11.239 1.00 0.00 C ATOM 903 OD1 ASN A 57 9.518 0.336 -10.248 1.00 0.00 O ATOM 904 ND2 ASN A 57 9.623 -0.339 -12.387 1.00 0.00 N ATOM 0 H ASN A 57 7.690 1.480 -9.629 1.00 0.00 H new ATOM 0 HA ASN A 57 6.330 0.900 -12.180 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.363 -1.223 -10.328 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.312 -1.202 -12.080 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.602 -0.066 -12.472 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.138 -0.752 -13.184 1.00 0.00 H new ATOM 911 N LEU A 58 4.585 1.165 -9.881 1.00 0.00 N ATOM 912 CA LEU A 58 3.329 0.909 -9.184 1.00 0.00 C ATOM 913 C LEU A 58 2.209 1.783 -9.741 1.00 0.00 C ATOM 914 O LEU A 58 2.450 2.678 -10.552 1.00 0.00 O ATOM 915 CB LEU A 58 3.493 1.165 -7.685 1.00 0.00 C ATOM 916 CG LEU A 58 4.591 0.365 -6.984 1.00 0.00 C ATOM 917 CD1 LEU A 58 4.562 0.619 -5.485 1.00 0.00 C ATOM 918 CD2 LEU A 58 4.439 -1.121 -7.277 1.00 0.00 C ATOM 0 H LEU A 58 4.879 2.142 -9.874 1.00 0.00 H new ATOM 0 HA LEU A 58 3.062 -0.136 -9.341 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.694 2.226 -7.538 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.544 0.949 -7.194 1.00 0.00 H new ATOM 0 HG LEU A 58 5.556 0.694 -7.370 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.350 0.041 -5.003 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.720 1.680 -5.293 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.594 0.318 -5.084 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.229 -1.675 -6.770 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.468 -1.465 -6.920 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.510 -1.289 -8.352 1.00 0.00 H new ATOM 930 N LYS A 59 0.984 1.519 -9.300 1.00 0.00 N ATOM 931 CA LYS A 59 -0.173 2.282 -9.751 1.00 0.00 C ATOM 932 C LYS A 59 -1.389 1.995 -8.876 1.00 0.00 C ATOM 933 O LYS A 59 -1.532 0.897 -8.337 1.00 0.00 O ATOM 934 CB LYS A 59 -0.492 1.950 -11.210 1.00 0.00 C ATOM 935 CG LYS A 59 -1.458 2.926 -11.859 1.00 0.00 C ATOM 936 CD LYS A 59 -0.761 4.214 -12.264 1.00 0.00 C ATOM 937 CE LYS A 59 -1.723 5.180 -12.940 1.00 0.00 C ATOM 938 NZ LYS A 59 -1.127 6.535 -13.102 1.00 0.00 N ATOM 0 H LYS A 59 0.767 0.781 -8.630 1.00 0.00 H new ATOM 0 HA LYS A 59 0.069 3.342 -9.670 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.436 1.936 -11.782 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.914 0.946 -11.262 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.909 2.464 -12.737 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.269 3.152 -11.166 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.328 4.687 -11.383 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.063 3.986 -12.941 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.004 4.788 -13.917 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.637 5.254 -12.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.814 7.163 -13.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.882 6.920 -12.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.269 6.469 -13.685 1.00 0.00 H new ATOM 952 N ILE A 60 -2.262 2.988 -8.740 1.00 0.00 N ATOM 953 CA ILE A 60 -3.466 2.840 -7.932 1.00 0.00 C ATOM 954 C ILE A 60 -4.719 2.890 -8.800 1.00 0.00 C ATOM 955 O ILE A 60 -4.840 3.735 -9.686 1.00 0.00 O ATOM 956 CB ILE A 60 -3.559 3.935 -6.853 1.00 0.00 C ATOM 957 CG1 ILE A 60 -2.326 3.894 -5.947 1.00 0.00 C ATOM 958 CG2 ILE A 60 -4.830 3.766 -6.035 1.00 0.00 C ATOM 959 CD1 ILE A 60 -2.311 4.984 -4.899 1.00 0.00 C ATOM 0 H ILE A 60 -2.158 3.903 -9.179 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.402 1.867 -7.445 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.594 4.907 -7.345 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.281 2.924 -5.452 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.430 3.980 -6.562 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.881 4.547 -5.277 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -5.697 3.840 -6.691 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.824 2.790 -5.550 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.409 4.894 -4.293 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.324 5.958 -5.387 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.189 4.886 -4.260 1.00 0.00 H new ATOM 971 N ARG A 61 -5.651 1.979 -8.537 1.00 0.00 N ATOM 972 CA ARG A 61 -6.896 1.919 -9.293 1.00 0.00 C ATOM 973 C ARG A 61 -8.063 1.530 -8.390 1.00 0.00 C ATOM 974 O ARG A 61 -7.875 1.229 -7.211 1.00 0.00 O ATOM 975 CB ARG A 61 -6.772 0.918 -10.443 1.00 0.00 C ATOM 976 CG ARG A 61 -6.435 -0.493 -9.988 1.00 0.00 C ATOM 977 CD ARG A 61 -6.309 -1.444 -11.168 1.00 0.00 C ATOM 978 NE ARG A 61 -7.593 -2.036 -11.534 1.00 0.00 N ATOM 979 CZ ARG A 61 -7.716 -3.080 -12.346 1.00 0.00 C ATOM 980 NH1 ARG A 61 -6.638 -3.644 -12.874 1.00 0.00 N ATOM 981 NH2 ARG A 61 -8.919 -3.562 -12.631 1.00 0.00 N ATOM 0 H ARG A 61 -5.567 1.273 -7.806 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.091 2.910 -9.702 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.710 0.897 -10.998 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.001 1.263 -11.132 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.501 -0.482 -9.427 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.209 -0.853 -9.311 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.900 -0.907 -12.024 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.602 -2.236 -10.921 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.442 -1.625 -11.145 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.712 -3.276 -12.657 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.735 -4.446 -13.497 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.750 -3.131 -12.226 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.013 -4.364 -13.255 1.00 0.00 H new ATOM 995 N ASP A 62 -9.267 1.540 -8.950 1.00 0.00 N ATOM 996 CA ASP A 62 -10.464 1.188 -8.196 1.00 0.00 C ATOM 997 C ASP A 62 -10.572 -0.324 -8.022 1.00 0.00 C ATOM 998 O ASP A 62 -10.504 -1.078 -8.993 1.00 0.00 O ATOM 999 CB ASP A 62 -11.712 1.723 -8.901 1.00 0.00 C ATOM 1000 CG ASP A 62 -11.816 1.246 -10.336 1.00 0.00 C ATOM 1001 OD1 ASP A 62 -11.125 1.820 -11.203 1.00 0.00 O ATOM 1002 OD2 ASP A 62 -12.589 0.299 -10.592 1.00 0.00 O ATOM 0 H ASP A 62 -9.440 1.788 -9.924 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.389 1.645 -7.209 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -12.599 1.408 -8.351 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -11.696 2.813 -8.884 1.00 0.00 H new ATOM 1129 N LYS A 71 -15.755 -1.221 1.941 1.00 0.00 N ATOM 1130 CA LYS A 71 -14.931 -0.357 2.779 1.00 0.00 C ATOM 1131 C LYS A 71 -13.953 0.450 1.931 1.00 0.00 C ATOM 1132 O LYS A 71 -13.872 0.267 0.716 1.00 0.00 O ATOM 1133 CB LYS A 71 -14.164 -1.191 3.808 1.00 0.00 C ATOM 1134 CG LYS A 71 -14.987 -1.554 5.031 1.00 0.00 C ATOM 1135 CD LYS A 71 -14.536 -2.874 5.635 1.00 0.00 C ATOM 1136 CE LYS A 71 -13.367 -2.680 6.588 1.00 0.00 C ATOM 1137 NZ LYS A 71 -13.780 -1.981 7.837 1.00 0.00 N ATOM 0 HA LYS A 71 -15.590 0.337 3.302 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -13.813 -2.106 3.332 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -13.280 -0.638 4.126 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -14.901 -0.763 5.776 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -16.040 -1.619 4.756 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -15.368 -3.335 6.167 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -14.248 -3.560 4.839 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -12.938 -3.650 6.839 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -12.585 -2.105 6.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -13.078 -2.160 8.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -13.842 -0.958 7.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -14.709 -2.336 8.142 1.00 0.00 H new ATOM 1151 N HIS A 72 -13.211 1.341 2.580 1.00 0.00 N ATOM 1152 CA HIS A 72 -12.236 2.174 1.885 1.00 0.00 C ATOM 1153 C HIS A 72 -10.911 1.436 1.717 1.00 0.00 C ATOM 1154 O HIS A 72 -10.079 1.418 2.623 1.00 0.00 O ATOM 1155 CB HIS A 72 -12.011 3.479 2.650 1.00 0.00 C ATOM 1156 CG HIS A 72 -13.217 3.944 3.408 1.00 0.00 C ATOM 1157 ND1 HIS A 72 -13.491 3.924 4.733 1.00 0.00 N flip ATOM 1158 CD2 HIS A 72 -14.317 4.508 2.798 1.00 0.00 C flip ATOM 1159 CE1 HIS A 72 -14.740 4.472 4.898 1.00 0.00 C flip ATOM 1160 NE2 HIS A 72 -15.216 4.817 3.716 1.00 0.00 N flip ATOM 0 H HIS A 72 -13.266 1.505 3.585 1.00 0.00 H new ATOM 0 HA HIS A 72 -12.632 2.404 0.896 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -11.184 3.344 3.347 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -11.712 4.256 1.947 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -14.427 4.672 1.736 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -15.250 4.600 5.842 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -16.123 5.249 3.541 1.00 0.00 H new ATOM 1169 N VAL A 73 -10.724 0.825 0.551 1.00 0.00 N ATOM 1170 CA VAL A 73 -9.501 0.085 0.263 1.00 0.00 C ATOM 1171 C VAL A 73 -9.093 0.244 -1.197 1.00 0.00 C ATOM 1172 O VAL A 73 -9.920 0.120 -2.101 1.00 0.00 O ATOM 1173 CB VAL A 73 -9.665 -1.414 0.579 1.00 0.00 C ATOM 1174 CG1 VAL A 73 -10.951 -1.950 -0.030 1.00 0.00 C ATOM 1175 CG2 VAL A 73 -8.461 -2.198 0.079 1.00 0.00 C ATOM 0 H VAL A 73 -11.404 0.828 -0.209 1.00 0.00 H new ATOM 0 HA VAL A 73 -8.722 0.500 0.902 1.00 0.00 H new ATOM 0 HB VAL A 73 -9.725 -1.536 1.661 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -11.050 -3.010 0.203 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -11.802 -1.407 0.381 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -10.924 -1.818 -1.112 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -8.593 -3.255 0.310 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -8.367 -2.072 -1.000 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -7.559 -1.830 0.567 1.00 0.00 H new ATOM 1185 N PHE A 74 -7.812 0.519 -1.421 1.00 0.00 N ATOM 1186 CA PHE A 74 -7.293 0.695 -2.773 1.00 0.00 C ATOM 1187 C PHE A 74 -6.300 -0.409 -3.122 1.00 0.00 C ATOM 1188 O PHE A 74 -5.571 -0.899 -2.260 1.00 0.00 O ATOM 1189 CB PHE A 74 -6.622 2.063 -2.909 1.00 0.00 C ATOM 1190 CG PHE A 74 -5.572 2.322 -1.867 1.00 0.00 C ATOM 1191 CD1 PHE A 74 -5.927 2.536 -0.545 1.00 0.00 C ATOM 1192 CD2 PHE A 74 -4.229 2.351 -2.209 1.00 0.00 C ATOM 1193 CE1 PHE A 74 -4.963 2.775 0.416 1.00 0.00 C ATOM 1194 CE2 PHE A 74 -3.260 2.590 -1.253 1.00 0.00 C ATOM 1195 CZ PHE A 74 -3.628 2.801 0.062 1.00 0.00 C ATOM 0 H PHE A 74 -7.115 0.625 -0.684 1.00 0.00 H new ATOM 0 HA PHE A 74 -8.131 0.638 -3.468 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -6.168 2.140 -3.897 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.384 2.840 -2.847 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -6.969 2.516 -0.262 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -3.936 2.185 -3.235 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.253 2.941 1.443 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -2.217 2.612 -1.533 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.873 2.986 0.812 1.00 0.00 H new ATOM 1205 N ALA A 75 -6.277 -0.796 -4.393 1.00 0.00 N ATOM 1206 CA ALA A 75 -5.373 -1.841 -4.858 1.00 0.00 C ATOM 1207 C ALA A 75 -4.205 -1.248 -5.639 1.00 0.00 C ATOM 1208 O ALA A 75 -4.389 -0.356 -6.467 1.00 0.00 O ATOM 1209 CB ALA A 75 -6.126 -2.848 -5.715 1.00 0.00 C ATOM 0 H ALA A 75 -6.874 -0.401 -5.120 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.970 -2.354 -3.985 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.438 -3.622 -6.055 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.923 -3.303 -5.126 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.557 -2.341 -6.578 1.00 0.00 H new ATOM 1215 N ILE A 76 -3.004 -1.749 -5.368 1.00 0.00 N ATOM 1216 CA ILE A 76 -1.806 -1.269 -6.046 1.00 0.00 C ATOM 1217 C ILE A 76 -1.227 -2.341 -6.962 1.00 0.00 C ATOM 1218 O ILE A 76 -0.817 -3.409 -6.506 1.00 0.00 O ATOM 1219 CB ILE A 76 -0.727 -0.832 -5.038 1.00 0.00 C ATOM 1220 CG1 ILE A 76 -1.276 0.250 -4.106 1.00 0.00 C ATOM 1221 CG2 ILE A 76 0.509 -0.330 -5.771 1.00 0.00 C ATOM 1222 CD1 ILE A 76 -0.311 0.652 -3.013 1.00 0.00 C ATOM 0 H ILE A 76 -2.835 -2.487 -4.684 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.104 -0.407 -6.643 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.444 -1.694 -4.435 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.532 1.130 -4.696 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.199 -0.108 -3.651 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.263 -0.025 -5.046 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.910 -1.127 -6.397 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.241 0.522 -6.396 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.766 1.422 -2.391 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.074 -0.217 -2.399 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.604 1.041 -3.460 1.00 0.00 H new ATOM 1234 N PHE A 77 -1.193 -2.048 -8.258 1.00 0.00 N ATOM 1235 CA PHE A 77 -0.662 -2.987 -9.240 1.00 0.00 C ATOM 1236 C PHE A 77 0.586 -2.422 -9.913 1.00 0.00 C ATOM 1237 O PHE A 77 0.862 -1.226 -9.828 1.00 0.00 O ATOM 1238 CB PHE A 77 -1.722 -3.308 -10.295 1.00 0.00 C ATOM 1239 CG PHE A 77 -2.001 -2.168 -11.232 1.00 0.00 C ATOM 1240 CD1 PHE A 77 -1.193 -1.948 -12.336 1.00 0.00 C ATOM 1241 CD2 PHE A 77 -3.071 -1.317 -11.009 1.00 0.00 C ATOM 1242 CE1 PHE A 77 -1.447 -0.899 -13.199 1.00 0.00 C ATOM 1243 CE2 PHE A 77 -3.331 -0.266 -11.870 1.00 0.00 C ATOM 1244 CZ PHE A 77 -2.518 -0.058 -12.967 1.00 0.00 C ATOM 0 H PHE A 77 -1.527 -1.169 -8.653 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.389 -3.904 -8.718 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.396 -4.172 -10.874 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.648 -3.591 -9.794 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.356 -2.604 -12.524 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.710 -1.476 -10.153 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.808 -0.737 -14.055 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -4.168 0.391 -11.685 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.719 0.761 -13.642 1.00 0.00 H new ATOM 1254 N ASN A 78 1.336 -3.292 -10.581 1.00 0.00 N ATOM 1255 CA ASN A 78 2.555 -2.881 -11.268 1.00 0.00 C ATOM 1256 C ASN A 78 2.267 -2.527 -12.724 1.00 0.00 C ATOM 1257 O ASN A 78 1.547 -3.246 -13.419 1.00 0.00 O ATOM 1258 CB ASN A 78 3.603 -3.994 -11.200 1.00 0.00 C ATOM 1259 CG ASN A 78 4.978 -3.520 -11.632 1.00 0.00 C ATOM 1260 OD1 ASN A 78 5.172 -3.099 -12.772 1.00 0.00 O ATOM 1261 ND2 ASN A 78 5.940 -3.587 -10.719 1.00 0.00 N ATOM 0 H ASN A 78 1.121 -4.286 -10.661 1.00 0.00 H new ATOM 0 HA ASN A 78 2.943 -1.994 -10.767 1.00 0.00 H new ATOM 0 HB2 ASN A 78 3.657 -4.377 -10.181 1.00 0.00 H new ATOM 0 HB3 ASN A 78 3.291 -4.823 -11.836 1.00 0.00 H new ATOM 0 HD21 ASN A 78 6.885 -3.282 -10.951 1.00 0.00 H new ATOM 0 HD22 ASN A 78 5.734 -3.943 -9.786 1.00 0.00 H new ATOM 1268 N THR A 79 2.833 -1.415 -13.181 1.00 0.00 N ATOM 1269 CA THR A 79 2.637 -0.965 -14.553 1.00 0.00 C ATOM 1270 C THR A 79 3.641 -1.620 -15.495 1.00 0.00 C ATOM 1271 O THR A 79 3.958 -1.077 -16.553 1.00 0.00 O ATOM 1272 CB THR A 79 2.767 0.566 -14.666 1.00 0.00 C ATOM 1273 OG1 THR A 79 4.139 0.952 -14.532 1.00 0.00 O ATOM 1274 CG2 THR A 79 1.933 1.260 -13.600 1.00 0.00 C ATOM 0 H THR A 79 3.432 -0.809 -12.620 1.00 0.00 H new ATOM 0 HA THR A 79 1.628 -1.259 -14.841 1.00 0.00 H new ATOM 0 HB THR A 79 2.399 0.869 -15.646 1.00 0.00 H new ATOM 0 HG1 THR A 79 4.214 1.926 -14.607 1.00 0.00 H new ATOM 0 HG21 THR A 79 2.041 2.340 -13.700 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.885 0.987 -13.723 1.00 0.00 H new ATOM 0 HG23 THR A 79 2.275 0.951 -12.612 1.00 0.00 H new ATOM 1282 N GLU A 80 4.137 -2.789 -15.104 1.00 0.00 N ATOM 1283 CA GLU A 80 5.106 -3.517 -15.915 1.00 0.00 C ATOM 1284 C GLU A 80 4.752 -5.000 -15.985 1.00 0.00 C ATOM 1285 O GLU A 80 3.780 -5.445 -15.374 1.00 0.00 O ATOM 1286 CB GLU A 80 6.515 -3.344 -15.345 1.00 0.00 C ATOM 1287 CG GLU A 80 6.918 -1.892 -15.150 1.00 0.00 C ATOM 1288 CD GLU A 80 7.449 -1.259 -16.421 1.00 0.00 C ATOM 1289 OE1 GLU A 80 6.779 -1.381 -17.468 1.00 0.00 O ATOM 1290 OE2 GLU A 80 8.533 -0.641 -16.369 1.00 0.00 O ATOM 0 H GLU A 80 3.884 -3.252 -14.231 1.00 0.00 H new ATOM 0 HA GLU A 80 5.078 -3.106 -16.924 1.00 0.00 H new ATOM 0 HB2 GLU A 80 6.577 -3.861 -14.388 1.00 0.00 H new ATOM 0 HB3 GLU A 80 7.230 -3.824 -16.013 1.00 0.00 H new ATOM 0 HG2 GLU A 80 6.057 -1.324 -14.798 1.00 0.00 H new ATOM 0 HG3 GLU A 80 7.680 -1.831 -14.373 1.00 0.00 H new ATOM 1352 N VAL A 84 3.500 -6.842 -8.266 1.00 0.00 N ATOM 1353 CA VAL A 84 3.935 -5.993 -7.164 1.00 0.00 C ATOM 1354 C VAL A 84 4.739 -6.788 -6.141 1.00 0.00 C ATOM 1355 O VAL A 84 5.954 -6.623 -6.028 1.00 0.00 O ATOM 1356 CB VAL A 84 2.735 -5.334 -6.456 1.00 0.00 C ATOM 1357 CG1 VAL A 84 3.164 -4.734 -5.126 1.00 0.00 C ATOM 1358 CG2 VAL A 84 2.106 -4.277 -7.350 1.00 0.00 C ATOM 0 HA VAL A 84 4.567 -5.216 -7.594 1.00 0.00 H new ATOM 0 HB VAL A 84 1.986 -6.100 -6.256 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.304 -4.273 -4.640 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.565 -5.519 -4.485 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.931 -3.979 -5.298 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.260 -3.821 -6.835 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.845 -3.510 -7.582 1.00 0.00 H new ATOM 0 HG23 VAL A 84 1.761 -4.741 -8.274 1.00 0.00 H new ATOM 1368 N TYR A 85 4.054 -7.651 -5.399 1.00 0.00 N ATOM 1369 CA TYR A 85 4.705 -8.471 -4.384 1.00 0.00 C ATOM 1370 C TYR A 85 5.274 -9.747 -4.997 1.00 0.00 C ATOM 1371 O TYR A 85 5.096 -10.012 -6.187 1.00 0.00 O ATOM 1372 CB TYR A 85 3.716 -8.823 -3.272 1.00 0.00 C ATOM 1373 CG TYR A 85 4.379 -9.299 -2.000 1.00 0.00 C ATOM 1374 CD1 TYR A 85 5.032 -8.407 -1.158 1.00 0.00 C ATOM 1375 CD2 TYR A 85 4.355 -10.641 -1.640 1.00 0.00 C ATOM 1376 CE1 TYR A 85 5.641 -8.837 0.005 1.00 0.00 C ATOM 1377 CE2 TYR A 85 4.959 -11.080 -0.478 1.00 0.00 C ATOM 1378 CZ TYR A 85 5.601 -10.174 0.341 1.00 0.00 C ATOM 1379 OH TYR A 85 6.206 -10.608 1.499 1.00 0.00 O ATOM 0 H TYR A 85 3.048 -7.801 -5.481 1.00 0.00 H new ATOM 0 HA TYR A 85 5.528 -7.895 -3.961 1.00 0.00 H new ATOM 0 HB2 TYR A 85 3.107 -7.947 -3.048 1.00 0.00 H new ATOM 0 HB3 TYR A 85 3.039 -9.598 -3.631 1.00 0.00 H new ATOM 0 HD1 TYR A 85 5.064 -7.359 -1.417 1.00 0.00 H new ATOM 0 HD2 TYR A 85 3.855 -11.353 -2.280 1.00 0.00 H new ATOM 0 HE1 TYR A 85 6.145 -8.130 0.647 1.00 0.00 H new ATOM 0 HE2 TYR A 85 4.929 -12.126 -0.212 1.00 0.00 H new ATOM 0 HH TYR A 85 6.085 -11.576 1.588 1.00 0.00 H new ATOM 1389 N LYS A 86 5.958 -10.536 -4.176 1.00 0.00 N ATOM 1390 CA LYS A 86 6.553 -11.786 -4.634 1.00 0.00 C ATOM 1391 C LYS A 86 5.654 -12.473 -5.657 1.00 0.00 C ATOM 1392 O LYS A 86 6.115 -12.891 -6.720 1.00 0.00 O ATOM 1393 CB LYS A 86 6.800 -12.721 -3.448 1.00 0.00 C ATOM 1394 CG LYS A 86 8.008 -12.336 -2.611 1.00 0.00 C ATOM 1395 CD LYS A 86 8.573 -13.532 -1.863 1.00 0.00 C ATOM 1396 CE LYS A 86 7.821 -13.784 -0.566 1.00 0.00 C ATOM 1397 NZ LYS A 86 6.527 -14.483 -0.801 1.00 0.00 N ATOM 0 H LYS A 86 6.114 -10.332 -3.189 1.00 0.00 H new ATOM 0 HA LYS A 86 7.505 -11.553 -5.111 1.00 0.00 H new ATOM 0 HB2 LYS A 86 5.915 -12.729 -2.812 1.00 0.00 H new ATOM 0 HB3 LYS A 86 6.934 -13.737 -3.819 1.00 0.00 H new ATOM 0 HG2 LYS A 86 8.778 -11.912 -3.256 1.00 0.00 H new ATOM 0 HG3 LYS A 86 7.726 -11.561 -1.899 1.00 0.00 H new ATOM 0 HD2 LYS A 86 8.517 -14.418 -2.496 1.00 0.00 H new ATOM 0 HD3 LYS A 86 9.628 -13.362 -1.646 1.00 0.00 H new ATOM 0 HE2 LYS A 86 8.440 -14.382 0.102 1.00 0.00 H new ATOM 0 HE3 LYS A 86 7.635 -12.835 -0.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 6.303 -15.083 0.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 5.772 -13.780 -0.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 6.602 -15.074 -1.653 1.00 0.00 H new ATOM 1411 N ASP A 87 4.372 -12.585 -5.331 1.00 0.00 N ATOM 1412 CA ASP A 87 3.408 -13.219 -6.224 1.00 0.00 C ATOM 1413 C ASP A 87 2.173 -12.341 -6.402 1.00 0.00 C ATOM 1414 O ASP A 87 1.733 -12.091 -7.525 1.00 0.00 O ATOM 1415 CB ASP A 87 3.001 -14.589 -5.679 1.00 0.00 C ATOM 1416 CG ASP A 87 2.297 -15.439 -6.718 1.00 0.00 C ATOM 1417 OD1 ASP A 87 2.962 -15.865 -7.685 1.00 0.00 O ATOM 1418 OD2 ASP A 87 1.080 -15.677 -6.565 1.00 0.00 O ATOM 0 H ASP A 87 3.975 -12.245 -4.455 1.00 0.00 H new ATOM 0 HA ASP A 87 3.882 -13.350 -7.197 1.00 0.00 H new ATOM 0 HB2 ASP A 87 3.888 -15.114 -5.325 1.00 0.00 H new ATOM 0 HB3 ASP A 87 2.345 -14.454 -4.819 1.00 0.00 H new ATOM 1423 N LEU A 88 1.618 -11.877 -5.288 1.00 0.00 N ATOM 1424 CA LEU A 88 0.432 -11.028 -5.321 1.00 0.00 C ATOM 1425 C LEU A 88 0.527 -10.003 -6.447 1.00 0.00 C ATOM 1426 O LEU A 88 1.434 -9.171 -6.467 1.00 0.00 O ATOM 1427 CB LEU A 88 0.255 -10.314 -3.980 1.00 0.00 C ATOM 1428 CG LEU A 88 0.257 -11.207 -2.738 1.00 0.00 C ATOM 1429 CD1 LEU A 88 0.122 -10.368 -1.477 1.00 0.00 C ATOM 1430 CD2 LEU A 88 -0.861 -12.235 -2.819 1.00 0.00 C ATOM 0 H LEU A 88 1.970 -12.074 -4.351 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.434 -11.663 -5.505 1.00 0.00 H new ATOM 0 HB2 LEU A 88 1.052 -9.578 -3.875 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.685 -9.764 -4.006 1.00 0.00 H new ATOM 0 HG LEU A 88 1.209 -11.737 -2.697 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.125 -11.020 -0.604 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.958 -9.671 -1.412 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.814 -9.810 -1.510 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.844 -12.862 -1.927 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.821 -11.724 -2.885 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.720 -12.858 -3.702 1.00 0.00 H new ATOM 1442 N ARG A 89 -0.416 -10.069 -7.381 1.00 0.00 N ATOM 1443 CA ARG A 89 -0.439 -9.146 -8.509 1.00 0.00 C ATOM 1444 C ARG A 89 -0.526 -7.701 -8.028 1.00 0.00 C ATOM 1445 O ARG A 89 0.095 -6.808 -8.603 1.00 0.00 O ATOM 1446 CB ARG A 89 -1.620 -9.462 -9.429 1.00 0.00 C ATOM 1447 CG ARG A 89 -1.423 -8.985 -10.859 1.00 0.00 C ATOM 1448 CD ARG A 89 -2.750 -8.848 -11.588 1.00 0.00 C ATOM 1449 NE ARG A 89 -3.607 -7.835 -10.978 1.00 0.00 N ATOM 1450 CZ ARG A 89 -4.852 -7.590 -11.374 1.00 0.00 C ATOM 1451 NH1 ARG A 89 -5.382 -8.282 -12.373 1.00 0.00 N ATOM 1452 NH2 ARG A 89 -5.569 -6.652 -10.769 1.00 0.00 N ATOM 0 H ARG A 89 -1.174 -10.752 -7.379 1.00 0.00 H new ATOM 0 HA ARG A 89 0.490 -9.269 -9.066 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.788 -10.539 -9.434 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -2.520 -9.001 -9.022 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.908 -8.025 -10.856 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.784 -9.688 -11.393 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -2.566 -8.587 -12.630 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -3.266 -9.808 -11.586 1.00 0.00 H new ATOM 0 HE ARG A 89 -3.230 -7.286 -10.206 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -4.834 -9.005 -12.840 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -6.338 -8.092 -12.675 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -5.165 -6.118 -9.999 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -6.524 -6.465 -11.073 1.00 0.00 H new ATOM 1466 N GLN A 90 -1.302 -7.480 -6.972 1.00 0.00 N ATOM 1467 CA GLN A 90 -1.471 -6.143 -6.415 1.00 0.00 C ATOM 1468 C GLN A 90 -1.730 -6.208 -4.914 1.00 0.00 C ATOM 1469 O GLN A 90 -2.557 -6.993 -4.450 1.00 0.00 O ATOM 1470 CB GLN A 90 -2.625 -5.420 -7.113 1.00 0.00 C ATOM 1471 CG GLN A 90 -3.924 -6.209 -7.116 1.00 0.00 C ATOM 1472 CD GLN A 90 -4.785 -5.922 -5.902 1.00 0.00 C ATOM 1473 OE1 GLN A 90 -4.365 -5.220 -4.981 1.00 0.00 O ATOM 1474 NE2 GLN A 90 -5.997 -6.464 -5.893 1.00 0.00 N ATOM 0 H GLN A 90 -1.823 -8.209 -6.485 1.00 0.00 H new ATOM 0 HA GLN A 90 -0.548 -5.587 -6.582 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -2.793 -4.462 -6.621 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -2.338 -5.204 -8.142 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -4.486 -5.972 -8.019 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -3.697 -7.275 -7.152 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -6.304 -7.039 -6.677 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -6.621 -6.305 -5.102 1.00 0.00 H new ATOM 1483 N ILE A 91 -1.017 -5.378 -4.160 1.00 0.00 N ATOM 1484 CA ILE A 91 -1.170 -5.341 -2.710 1.00 0.00 C ATOM 1485 C ILE A 91 -2.305 -4.408 -2.302 1.00 0.00 C ATOM 1486 O ILE A 91 -2.217 -3.193 -2.480 1.00 0.00 O ATOM 1487 CB ILE A 91 0.129 -4.885 -2.019 1.00 0.00 C ATOM 1488 CG1 ILE A 91 1.315 -5.713 -2.517 1.00 0.00 C ATOM 1489 CG2 ILE A 91 -0.008 -5.001 -0.508 1.00 0.00 C ATOM 1490 CD1 ILE A 91 2.656 -5.184 -2.059 1.00 0.00 C ATOM 0 H ILE A 91 -0.328 -4.722 -4.529 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.405 -6.356 -2.390 1.00 0.00 H new ATOM 0 HB ILE A 91 0.310 -3.840 -2.269 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.201 -6.740 -2.171 1.00 0.00 H new ATOM 0 HG13 ILE A 91 1.297 -5.740 -3.607 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.917 -4.675 -0.033 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -0.831 -4.373 -0.168 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.208 -6.038 -0.239 1.00 0.00 H new ATOM 0 HD11 ILE A 91 3.451 -5.820 -2.449 1.00 0.00 H new ATOM 0 HD12 ILE A 91 2.791 -4.167 -2.428 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.694 -5.183 -0.970 1.00 0.00 H new ATOM 1502 N GLU A 92 -3.368 -4.985 -1.750 1.00 0.00 N ATOM 1503 CA GLU A 92 -4.520 -4.204 -1.315 1.00 0.00 C ATOM 1504 C GLU A 92 -4.230 -3.496 0.006 1.00 0.00 C ATOM 1505 O GLU A 92 -3.525 -4.027 0.865 1.00 0.00 O ATOM 1506 CB GLU A 92 -5.748 -5.105 -1.165 1.00 0.00 C ATOM 1507 CG GLU A 92 -6.442 -5.411 -2.481 1.00 0.00 C ATOM 1508 CD GLU A 92 -7.820 -6.013 -2.287 1.00 0.00 C ATOM 1509 OE1 GLU A 92 -7.901 -7.209 -1.936 1.00 0.00 O ATOM 1510 OE2 GLU A 92 -8.818 -5.289 -2.486 1.00 0.00 O ATOM 0 H GLU A 92 -3.455 -5.989 -1.594 1.00 0.00 H new ATOM 0 HA GLU A 92 -4.723 -3.449 -2.075 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -5.446 -6.042 -0.697 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -6.459 -4.627 -0.491 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -6.529 -4.494 -3.064 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -5.827 -6.100 -3.060 1.00 0.00 H new ATOM 1517 N LEU A 93 -4.778 -2.296 0.160 1.00 0.00 N ATOM 1518 CA LEU A 93 -4.578 -1.514 1.375 1.00 0.00 C ATOM 1519 C LEU A 93 -5.888 -0.884 1.838 1.00 0.00 C ATOM 1520 O LEU A 93 -6.411 0.027 1.197 1.00 0.00 O ATOM 1521 CB LEU A 93 -3.531 -0.425 1.139 1.00 0.00 C ATOM 1522 CG LEU A 93 -2.143 -0.909 0.715 1.00 0.00 C ATOM 1523 CD1 LEU A 93 -1.360 0.220 0.063 1.00 0.00 C ATOM 1524 CD2 LEU A 93 -1.384 -1.466 1.910 1.00 0.00 C ATOM 0 H LEU A 93 -5.364 -1.843 -0.541 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.223 -2.187 2.156 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.907 0.253 0.373 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.427 0.156 2.055 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.266 -1.708 -0.016 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.375 -0.143 -0.232 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.896 0.573 -0.818 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.247 1.041 0.771 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.399 -1.805 1.589 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.272 -0.688 2.665 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.937 -2.305 2.333 1.00 0.00 H new ATOM 1536 N ALA A 94 -6.411 -1.373 2.958 1.00 0.00 N ATOM 1537 CA ALA A 94 -7.657 -0.855 3.509 1.00 0.00 C ATOM 1538 C ALA A 94 -7.388 0.191 4.586 1.00 0.00 C ATOM 1539 O ALA A 94 -6.282 0.272 5.123 1.00 0.00 O ATOM 1540 CB ALA A 94 -8.497 -1.991 4.073 1.00 0.00 C ATOM 0 H ALA A 94 -5.991 -2.127 3.501 1.00 0.00 H new ATOM 0 HA ALA A 94 -8.210 -0.374 2.702 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -9.425 -1.590 4.481 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -8.727 -2.702 3.279 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -7.942 -2.497 4.863 1.00 0.00 H new ATOM 1546 N CYS A 95 -8.403 0.988 4.896 1.00 0.00 N ATOM 1547 CA CYS A 95 -8.275 2.031 5.908 1.00 0.00 C ATOM 1548 C CYS A 95 -9.436 1.976 6.895 1.00 0.00 C ATOM 1549 O CYS A 95 -10.346 1.158 6.754 1.00 0.00 O ATOM 1550 CB CYS A 95 -8.218 3.409 5.246 1.00 0.00 C ATOM 1551 SG CYS A 95 -6.615 3.809 4.512 1.00 0.00 S ATOM 0 H CYS A 95 -9.324 0.933 4.462 1.00 0.00 H new ATOM 0 HA CYS A 95 -7.348 1.860 6.455 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -8.983 3.460 4.471 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -8.465 4.168 5.989 1.00 0.00 H new ATOM 0 HG CYS A 95 -6.666 4.992 3.976 1.00 0.00 H new ATOM 1557 N ASP A 96 -9.398 2.849 7.895 1.00 0.00 N ATOM 1558 CA ASP A 96 -10.446 2.900 8.907 1.00 0.00 C ATOM 1559 C ASP A 96 -11.615 3.760 8.437 1.00 0.00 C ATOM 1560 O ASP A 96 -12.759 3.540 8.832 1.00 0.00 O ATOM 1561 CB ASP A 96 -9.890 3.448 10.222 1.00 0.00 C ATOM 1562 CG ASP A 96 -10.903 3.392 11.348 1.00 0.00 C ATOM 1563 OD1 ASP A 96 -11.102 2.297 11.914 1.00 0.00 O ATOM 1564 OD2 ASP A 96 -11.497 4.444 11.664 1.00 0.00 O ATOM 0 H ASP A 96 -8.652 3.532 8.027 1.00 0.00 H new ATOM 0 HA ASP A 96 -10.808 1.885 9.070 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -9.005 2.877 10.505 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -9.571 4.480 10.076 1.00 0.00 H new ATOM 1569 N SER A 97 -11.317 4.742 7.592 1.00 0.00 N ATOM 1570 CA SER A 97 -12.342 5.640 7.071 1.00 0.00 C ATOM 1571 C SER A 97 -11.854 6.348 5.812 1.00 0.00 C ATOM 1572 O SER A 97 -10.654 6.542 5.622 1.00 0.00 O ATOM 1573 CB SER A 97 -12.733 6.671 8.132 1.00 0.00 C ATOM 1574 OG SER A 97 -13.298 6.043 9.270 1.00 0.00 O ATOM 0 H SER A 97 -10.375 4.936 7.254 1.00 0.00 H new ATOM 0 HA SER A 97 -13.218 5.044 6.815 1.00 0.00 H new ATOM 0 HB2 SER A 97 -11.854 7.244 8.428 1.00 0.00 H new ATOM 0 HB3 SER A 97 -13.448 7.378 7.711 1.00 0.00 H new ATOM 0 HG SER A 97 -13.490 5.104 9.064 1.00 0.00 H new ATOM 1580 N GLN A 98 -12.795 6.732 4.955 1.00 0.00 N ATOM 1581 CA GLN A 98 -12.462 7.419 3.712 1.00 0.00 C ATOM 1582 C GLN A 98 -11.428 8.514 3.956 1.00 0.00 C ATOM 1583 O GLN A 98 -10.407 8.579 3.273 1.00 0.00 O ATOM 1584 CB GLN A 98 -13.720 8.020 3.083 1.00 0.00 C ATOM 1585 CG GLN A 98 -13.624 8.192 1.576 1.00 0.00 C ATOM 1586 CD GLN A 98 -12.540 9.170 1.168 1.00 0.00 C ATOM 1587 OE1 GLN A 98 -12.189 10.076 1.924 1.00 0.00 O ATOM 1588 NE2 GLN A 98 -12.002 8.991 -0.033 1.00 0.00 N ATOM 0 H GLN A 98 -13.793 6.579 5.098 1.00 0.00 H new ATOM 0 HA GLN A 98 -12.036 6.688 3.025 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -14.572 7.381 3.314 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -13.916 8.990 3.539 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -13.427 7.224 1.116 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -14.584 8.538 1.192 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -12.323 8.227 -0.627 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -11.267 9.618 -0.361 1.00 0.00 H new ATOM 1597 N GLU A 99 -11.702 9.372 4.934 1.00 0.00 N ATOM 1598 CA GLU A 99 -10.795 10.465 5.266 1.00 0.00 C ATOM 1599 C GLU A 99 -9.340 10.024 5.135 1.00 0.00 C ATOM 1600 O GLU A 99 -8.540 10.676 4.465 1.00 0.00 O ATOM 1601 CB GLU A 99 -11.062 10.965 6.687 1.00 0.00 C ATOM 1602 CG GLU A 99 -12.310 11.823 6.806 1.00 0.00 C ATOM 1603 CD GLU A 99 -13.568 11.085 6.391 1.00 0.00 C ATOM 1604 OE1 GLU A 99 -13.955 10.130 7.096 1.00 0.00 O ATOM 1605 OE2 GLU A 99 -14.166 11.463 5.362 1.00 0.00 O ATOM 0 H GLU A 99 -12.543 9.332 5.509 1.00 0.00 H new ATOM 0 HA GLU A 99 -10.975 11.278 4.563 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -11.156 10.107 7.353 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -10.202 11.541 7.028 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -12.416 12.163 7.836 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -12.195 12.713 6.187 1.00 0.00 H new ATOM 1612 N ASP A 100 -9.005 8.912 5.781 1.00 0.00 N ATOM 1613 CA ASP A 100 -7.647 8.382 5.738 1.00 0.00 C ATOM 1614 C ASP A 100 -7.212 8.120 4.299 1.00 0.00 C ATOM 1615 O ASP A 100 -6.207 8.658 3.836 1.00 0.00 O ATOM 1616 CB ASP A 100 -7.554 7.093 6.555 1.00 0.00 C ATOM 1617 CG ASP A 100 -7.485 7.357 8.046 1.00 0.00 C ATOM 1618 OD1 ASP A 100 -6.779 8.305 8.450 1.00 0.00 O ATOM 1619 OD2 ASP A 100 -8.139 6.616 8.810 1.00 0.00 O ATOM 0 H ASP A 100 -9.655 8.360 6.341 1.00 0.00 H new ATOM 0 HA ASP A 100 -6.978 9.126 6.171 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -8.419 6.466 6.340 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -6.671 6.534 6.247 1.00 0.00 H new ATOM 1624 N VAL A 101 -7.975 7.288 3.598 1.00 0.00 N ATOM 1625 CA VAL A 101 -7.669 6.954 2.212 1.00 0.00 C ATOM 1626 C VAL A 101 -7.348 8.206 1.403 1.00 0.00 C ATOM 1627 O VAL A 101 -6.258 8.334 0.845 1.00 0.00 O ATOM 1628 CB VAL A 101 -8.839 6.210 1.542 1.00 0.00 C ATOM 1629 CG1 VAL A 101 -8.535 5.945 0.075 1.00 0.00 C ATOM 1630 CG2 VAL A 101 -9.134 4.910 2.277 1.00 0.00 C ATOM 0 H VAL A 101 -8.810 6.833 3.967 1.00 0.00 H new ATOM 0 HA VAL A 101 -6.796 6.302 2.229 1.00 0.00 H new ATOM 0 HB VAL A 101 -9.726 6.841 1.596 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -9.373 5.419 -0.381 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -8.377 6.892 -0.441 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -7.636 5.334 -0.006 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -9.963 4.397 1.790 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -8.251 4.272 2.257 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -9.400 5.129 3.311 1.00 0.00 H new ATOM 1640 N ASP A 102 -8.304 9.126 1.344 1.00 0.00 N ATOM 1641 CA ASP A 102 -8.123 10.370 0.604 1.00 0.00 C ATOM 1642 C ASP A 102 -6.709 10.912 0.790 1.00 0.00 C ATOM 1643 O ASP A 102 -6.016 11.215 -0.181 1.00 0.00 O ATOM 1644 CB ASP A 102 -9.146 11.412 1.058 1.00 0.00 C ATOM 1645 CG ASP A 102 -9.258 12.574 0.090 1.00 0.00 C ATOM 1646 OD1 ASP A 102 -8.293 12.810 -0.666 1.00 0.00 O ATOM 1647 OD2 ASP A 102 -10.310 13.247 0.089 1.00 0.00 O ATOM 0 H ASP A 102 -9.212 9.034 1.799 1.00 0.00 H new ATOM 0 HA ASP A 102 -8.276 10.160 -0.455 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -10.121 10.937 1.165 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -8.865 11.788 2.042 1.00 0.00 H new ATOM 1652 N SER A 103 -6.288 11.034 2.045 1.00 0.00 N ATOM 1653 CA SER A 103 -4.958 11.544 2.359 1.00 0.00 C ATOM 1654 C SER A 103 -3.877 10.636 1.782 1.00 0.00 C ATOM 1655 O SER A 103 -2.897 11.108 1.207 1.00 0.00 O ATOM 1656 CB SER A 103 -4.781 11.667 3.874 1.00 0.00 C ATOM 1657 OG SER A 103 -3.765 12.601 4.194 1.00 0.00 O ATOM 0 H SER A 103 -6.848 10.787 2.861 1.00 0.00 H new ATOM 0 HA SER A 103 -4.858 12.531 1.907 1.00 0.00 H new ATOM 0 HB2 SER A 103 -5.721 11.978 4.329 1.00 0.00 H new ATOM 0 HB3 SER A 103 -4.530 10.693 4.294 1.00 0.00 H new ATOM 0 HG SER A 103 -3.672 12.663 5.168 1.00 0.00 H new ATOM 1663 N TRP A 104 -4.064 9.331 1.939 1.00 0.00 N ATOM 1664 CA TRP A 104 -3.105 8.355 1.433 1.00 0.00 C ATOM 1665 C TRP A 104 -2.931 8.494 -0.075 1.00 0.00 C ATOM 1666 O TRP A 104 -1.818 8.677 -0.568 1.00 0.00 O ATOM 1667 CB TRP A 104 -3.560 6.936 1.778 1.00 0.00 C ATOM 1668 CG TRP A 104 -3.042 6.451 3.098 1.00 0.00 C ATOM 1669 CD1 TRP A 104 -3.783 6.086 4.186 1.00 0.00 C ATOM 1670 CD2 TRP A 104 -1.670 6.279 3.470 1.00 0.00 C ATOM 1671 NE1 TRP A 104 -2.955 5.698 5.211 1.00 0.00 N ATOM 1672 CE2 TRP A 104 -1.654 5.807 4.797 1.00 0.00 C ATOM 1673 CE3 TRP A 104 -0.454 6.476 2.810 1.00 0.00 C ATOM 1674 CZ2 TRP A 104 -0.469 5.531 5.474 1.00 0.00 C ATOM 1675 CZ3 TRP A 104 0.721 6.203 3.484 1.00 0.00 C ATOM 1676 CH2 TRP A 104 0.707 5.733 4.804 1.00 0.00 C ATOM 0 H TRP A 104 -4.870 8.924 2.412 1.00 0.00 H new ATOM 0 HA TRP A 104 -2.144 8.547 1.910 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -4.649 6.904 1.789 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -3.229 6.255 0.994 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -4.862 6.100 4.233 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -3.260 5.380 6.131 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -0.433 6.835 1.792 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -0.478 5.170 6.492 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 1.667 6.355 2.985 1.00 0.00 H new ATOM 0 HH2 TRP A 104 1.643 5.526 5.302 1.00 0.00 H new ATOM 1687 N LYS A 105 -4.038 8.406 -0.804 1.00 0.00 N ATOM 1688 CA LYS A 105 -4.009 8.524 -2.257 1.00 0.00 C ATOM 1689 C LYS A 105 -3.434 9.871 -2.683 1.00 0.00 C ATOM 1690 O LYS A 105 -2.747 9.970 -3.699 1.00 0.00 O ATOM 1691 CB LYS A 105 -5.417 8.353 -2.832 1.00 0.00 C ATOM 1692 CG LYS A 105 -6.094 7.060 -2.411 1.00 0.00 C ATOM 1693 CD LYS A 105 -7.541 7.013 -2.870 1.00 0.00 C ATOM 1694 CE LYS A 105 -8.041 5.582 -2.994 1.00 0.00 C ATOM 1695 NZ LYS A 105 -9.526 5.517 -3.071 1.00 0.00 N ATOM 0 H LYS A 105 -4.967 8.253 -0.412 1.00 0.00 H new ATOM 0 HA LYS A 105 -3.366 7.735 -2.647 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -6.033 9.195 -2.517 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -5.362 8.387 -3.920 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -5.551 6.212 -2.828 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -6.052 6.963 -1.326 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -8.166 7.558 -2.162 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -7.635 7.517 -3.832 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -7.611 5.123 -3.884 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -7.696 5.002 -2.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -9.839 4.537 -2.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -9.939 6.132 -2.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -9.839 5.836 -4.010 1.00 0.00 H new ATOM 1709 N ALA A 106 -3.720 10.905 -1.899 1.00 0.00 N ATOM 1710 CA ALA A 106 -3.228 12.245 -2.193 1.00 0.00 C ATOM 1711 C ALA A 106 -1.718 12.332 -1.997 1.00 0.00 C ATOM 1712 O ALA A 106 -1.011 12.932 -2.806 1.00 0.00 O ATOM 1713 CB ALA A 106 -3.935 13.271 -1.319 1.00 0.00 C ATOM 0 H ALA A 106 -4.290 10.840 -1.055 1.00 0.00 H new ATOM 0 HA ALA A 106 -3.445 12.463 -3.239 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -3.557 14.267 -1.549 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -5.007 13.236 -1.511 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -3.747 13.046 -0.269 1.00 0.00 H new ATOM 1719 N SER A 107 -1.231 11.729 -0.917 1.00 0.00 N ATOM 1720 CA SER A 107 0.195 11.742 -0.612 1.00 0.00 C ATOM 1721 C SER A 107 0.997 11.099 -1.740 1.00 0.00 C ATOM 1722 O SER A 107 2.125 11.503 -2.024 1.00 0.00 O ATOM 1723 CB SER A 107 0.464 11.008 0.703 1.00 0.00 C ATOM 1724 OG SER A 107 0.362 9.605 0.534 1.00 0.00 O ATOM 0 H SER A 107 -1.803 11.226 -0.239 1.00 0.00 H new ATOM 0 HA SER A 107 0.510 12.780 -0.511 1.00 0.00 H new ATOM 0 HB2 SER A 107 1.459 11.262 1.068 1.00 0.00 H new ATOM 0 HB3 SER A 107 -0.247 11.339 1.460 1.00 0.00 H new ATOM 0 HG SER A 107 -0.574 9.362 0.375 1.00 0.00 H new ATOM 1730 N PHE A 108 0.407 10.094 -2.379 1.00 0.00 N ATOM 1731 CA PHE A 108 1.065 9.393 -3.474 1.00 0.00 C ATOM 1732 C PHE A 108 1.327 10.336 -4.645 1.00 0.00 C ATOM 1733 O PHE A 108 2.380 10.277 -5.282 1.00 0.00 O ATOM 1734 CB PHE A 108 0.211 8.211 -3.939 1.00 0.00 C ATOM 1735 CG PHE A 108 0.503 6.935 -3.203 1.00 0.00 C ATOM 1736 CD1 PHE A 108 1.689 6.251 -3.418 1.00 0.00 C ATOM 1737 CD2 PHE A 108 -0.408 6.419 -2.295 1.00 0.00 C ATOM 1738 CE1 PHE A 108 1.960 5.076 -2.743 1.00 0.00 C ATOM 1739 CE2 PHE A 108 -0.142 5.244 -1.617 1.00 0.00 C ATOM 1740 CZ PHE A 108 1.044 4.573 -1.840 1.00 0.00 C ATOM 0 H PHE A 108 -0.526 9.747 -2.157 1.00 0.00 H new ATOM 0 HA PHE A 108 2.022 9.020 -3.109 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -0.842 8.462 -3.812 1.00 0.00 H new ATOM 0 HB3 PHE A 108 0.374 8.052 -5.005 1.00 0.00 H new ATOM 0 HD1 PHE A 108 2.410 6.641 -4.121 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -1.336 6.941 -2.115 1.00 0.00 H new ATOM 0 HE1 PHE A 108 2.887 4.552 -2.921 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -0.861 4.851 -0.914 1.00 0.00 H new ATOM 0 HZ PHE A 108 1.255 3.656 -1.309 1.00 0.00 H new ATOM 1750 N LEU A 109 0.362 11.206 -4.922 1.00 0.00 N ATOM 1751 CA LEU A 109 0.487 12.164 -6.016 1.00 0.00 C ATOM 1752 C LEU A 109 1.771 12.976 -5.885 1.00 0.00 C ATOM 1753 O LEU A 109 2.580 13.031 -6.812 1.00 0.00 O ATOM 1754 CB LEU A 109 -0.723 13.100 -6.041 1.00 0.00 C ATOM 1755 CG LEU A 109 -1.910 12.640 -6.887 1.00 0.00 C ATOM 1756 CD1 LEU A 109 -2.882 11.827 -6.046 1.00 0.00 C ATOM 1757 CD2 LEU A 109 -2.614 13.836 -7.511 1.00 0.00 C ATOM 0 H LEU A 109 -0.515 11.268 -4.405 1.00 0.00 H new ATOM 0 HA LEU A 109 0.526 11.607 -6.952 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.067 13.244 -5.017 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.397 14.073 -6.408 1.00 0.00 H new ATOM 0 HG LEU A 109 -1.536 12.004 -7.689 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -3.720 11.508 -6.665 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.372 10.950 -5.646 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -3.251 12.439 -5.223 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.457 13.490 -8.110 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -2.976 14.497 -6.723 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -1.915 14.378 -8.147 1.00 0.00 H new ATOM 1769 N ARG A 110 1.952 13.604 -4.728 1.00 0.00 N ATOM 1770 CA ARG A 110 3.139 14.413 -4.476 1.00 0.00 C ATOM 1771 C ARG A 110 4.410 13.612 -4.742 1.00 0.00 C ATOM 1772 O ARG A 110 5.423 14.161 -5.173 1.00 0.00 O ATOM 1773 CB ARG A 110 3.137 14.923 -3.034 1.00 0.00 C ATOM 1774 CG ARG A 110 2.089 15.991 -2.766 1.00 0.00 C ATOM 1775 CD ARG A 110 0.769 15.378 -2.327 1.00 0.00 C ATOM 1776 NE ARG A 110 -0.146 16.379 -1.786 1.00 0.00 N ATOM 1777 CZ ARG A 110 -1.157 16.089 -0.974 1.00 0.00 C ATOM 1778 NH1 ARG A 110 -1.381 14.833 -0.612 1.00 0.00 N ATOM 1779 NH2 ARG A 110 -1.946 17.055 -0.523 1.00 0.00 N ATOM 0 H ARG A 110 1.293 13.568 -3.951 1.00 0.00 H new ATOM 0 HA ARG A 110 3.119 15.265 -5.156 1.00 0.00 H new ATOM 0 HB2 ARG A 110 2.967 14.083 -2.361 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.122 15.326 -2.799 1.00 0.00 H new ATOM 0 HG2 ARG A 110 2.450 16.671 -1.994 1.00 0.00 H new ATOM 0 HG3 ARG A 110 1.934 16.585 -3.667 1.00 0.00 H new ATOM 0 HD2 ARG A 110 0.301 14.880 -3.176 1.00 0.00 H new ATOM 0 HD3 ARG A 110 0.957 14.614 -1.573 1.00 0.00 H new ATOM 0 HE ARG A 110 -0.001 17.355 -2.046 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -0.777 14.087 -0.957 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -2.158 14.613 0.011 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -1.777 18.022 -0.799 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -2.722 16.831 0.100 1.00 0.00 H new ATOM 1793 N ALA A 111 4.348 12.310 -4.482 1.00 0.00 N ATOM 1794 CA ALA A 111 5.493 11.433 -4.694 1.00 0.00 C ATOM 1795 C ALA A 111 5.771 11.245 -6.182 1.00 0.00 C ATOM 1796 O ALA A 111 6.909 11.010 -6.585 1.00 0.00 O ATOM 1797 CB ALA A 111 5.258 10.087 -4.025 1.00 0.00 C ATOM 0 H ALA A 111 3.517 11.839 -4.124 1.00 0.00 H new ATOM 0 HA ALA A 111 6.368 11.902 -4.243 1.00 0.00 H new ATOM 0 HB1 ALA A 111 6.121 9.442 -4.192 1.00 0.00 H new ATOM 0 HB2 ALA A 111 5.115 10.233 -2.954 1.00 0.00 H new ATOM 0 HB3 ALA A 111 4.369 9.620 -4.449 1.00 0.00 H new ATOM 1803 N GLY A 112 4.723 11.349 -6.993 1.00 0.00 N ATOM 1804 CA GLY A 112 4.877 11.187 -8.427 1.00 0.00 C ATOM 1805 C GLY A 112 3.991 10.090 -8.984 1.00 0.00 C ATOM 1806 O GLY A 112 4.329 9.457 -9.985 1.00 0.00 O ATOM 0 H GLY A 112 3.771 11.542 -6.683 1.00 0.00 H new ATOM 0 HA2 GLY A 112 4.641 12.128 -8.924 1.00 0.00 H new ATOM 0 HA3 GLY A 112 5.918 10.959 -8.654 1.00 0.00 H new ATOM 1810 N VAL A 113 2.854 9.862 -8.335 1.00 0.00 N ATOM 1811 CA VAL A 113 1.917 8.834 -8.771 1.00 0.00 C ATOM 1812 C VAL A 113 0.600 9.449 -9.230 1.00 0.00 C ATOM 1813 O VAL A 113 0.034 9.042 -10.244 1.00 0.00 O ATOM 1814 CB VAL A 113 1.633 7.820 -7.646 1.00 0.00 C ATOM 1815 CG1 VAL A 113 0.618 6.784 -8.104 1.00 0.00 C ATOM 1816 CG2 VAL A 113 2.922 7.152 -7.193 1.00 0.00 C ATOM 0 H VAL A 113 2.559 10.376 -7.505 1.00 0.00 H new ATOM 0 HA VAL A 113 2.384 8.316 -9.609 1.00 0.00 H new ATOM 0 HB VAL A 113 1.211 8.356 -6.796 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.430 6.077 -7.296 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.313 7.282 -8.374 1.00 0.00 H new ATOM 0 HG13 VAL A 113 1.009 6.250 -8.970 1.00 0.00 H new ATOM 0 HG21 VAL A 113 2.703 6.439 -6.398 1.00 0.00 H new ATOM 0 HG22 VAL A 113 3.376 6.629 -8.035 1.00 0.00 H new ATOM 0 HG23 VAL A 113 3.613 7.909 -6.821 1.00 0.00 H new