USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 572 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 32 GLN : amide:sc= 0.406 K(o=2.3,f=-7.6!) USER MOD Set 1.2: A 36 LYS NZ :NH3+ -162:sc= 1.92 (180deg=0.642) USER MOD Set 2.1: A 11 GLN : amide:sc= -0.294 K(o=-0.35,f=1.1) USER MOD Set 2.2: A 19 TYR OH : rot 180:sc= -0.0531 USER MOD Set 3.1: A 5 GLN : amide:sc= 0.359 K(o=-0.61,f=-13!) USER MOD Set 3.2: A 8 LYS NZ :NH3+ -179:sc= 0.985 (180deg=-0.75) USER MOD Set 3.3: A 22 GLN : amide:sc= -1.95 K(o=-0.61,f=-6.8!) USER MOD Single : A 2 SER OG : rot 28:sc= 0.0258 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -1.34! K(o=-1.3!,f=0) USER MOD Single : A 9 ASN : amide:sc= -1.35! K(o=-1.3!,f=-0.056) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -0.729 K(o=-0.73,f=0.083) USER MOD Single : A 17 SER OG : rot 7:sc= 0.363 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 40:sc= -2.3! USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= -0.0412 USER MOD Single : A 34 THR OG1 : rot -113:sc= 0.1 USER MOD Single : A 35 THR OG1 : rot 82:sc= 1.1 USER MOD Single : A 39 THR OG1 : rot 63:sc= 0.979 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 164:sc= -0.0294 (180deg=-0.256) USER MOD Single : A 76 TYR OH : rot 30:sc= -0.394 USER MOD Single : A 78 LYS NZ :NH3+ -174:sc=-0.00236 (180deg=-0.0525) USER MOD Single : A 83 HIS : no HD1:sc= -5.54! C(o=-5.5!,f=-3.6!) USER MOD Single : A 85 LYS NZ :NH3+ -167:sc= 1.28 (180deg=1.06) USER MOD Single : A 88 CYS SG : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -170:sc= -0.0364 (180deg=-0.207) USER MOD Single : A 91 THR OG1 : rot 180:sc= -1.15 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N SER A 2 1.152 -5.896 1.171 1.00 0.45 N ATOM 21 CA SER A 2 1.575 -5.270 -0.088 1.00 20.00 C ATOM 22 C SER A 2 0.389 -4.802 -0.935 1.00 54.02 C ATOM 23 O SER A 2 -0.441 -5.608 -1.362 1.00 42.13 O ATOM 24 CB SER A 2 2.414 -6.246 -0.919 1.00 51.42 C ATOM 25 OG SER A 2 3.594 -6.636 -0.241 1.00 42.42 O ATOM 0 HA SER A 2 2.168 -4.398 0.186 1.00 20.00 H new ATOM 0 HB2 SER A 2 1.819 -7.130 -1.151 1.00 51.42 H new ATOM 0 HB3 SER A 2 2.678 -5.781 -1.869 1.00 51.42 H new ATOM 0 HG SER A 2 3.445 -6.593 0.727 1.00 42.42 H new ATOM 31 N TRP A 3 0.323 -3.496 -1.187 1.00 13.11 N ATOM 32 CA TRP A 3 -0.654 -2.939 -2.126 1.00 65.32 C ATOM 33 C TRP A 3 -0.491 -3.605 -3.501 1.00 53.42 C ATOM 34 O TRP A 3 -1.448 -3.754 -4.259 1.00 22.31 O ATOM 35 CB TRP A 3 -0.470 -1.419 -2.246 1.00 43.44 C ATOM 36 CG TRP A 3 -0.669 -0.678 -0.951 1.00 32.12 C ATOM 37 CD1 TRP A 3 0.134 -0.730 0.155 1.00 12.22 C ATOM 38 CD2 TRP A 3 -1.731 0.232 -0.632 1.00 3.41 C ATOM 39 NE1 TRP A 3 -0.369 0.080 1.142 1.00 73.42 N ATOM 40 CE2 TRP A 3 -1.510 0.684 0.683 1.00 3.13 C ATOM 41 CE3 TRP A 3 -2.849 0.708 -1.328 1.00 14.24 C ATOM 42 CZ2 TRP A 3 -2.361 1.588 1.314 1.00 1.40 C ATOM 43 CZ3 TRP A 3 -3.693 1.606 -0.700 1.00 11.13 C ATOM 44 CH2 TRP A 3 -3.444 2.038 0.609 1.00 34.52 C ATOM 0 H TRP A 3 0.933 -2.802 -0.755 1.00 13.11 H new ATOM 0 HA TRP A 3 -1.659 -3.137 -1.752 1.00 65.32 H new ATOM 0 HB2 TRP A 3 0.532 -1.212 -2.621 1.00 43.44 H new ATOM 0 HB3 TRP A 3 -1.173 -1.035 -2.985 1.00 43.44 H new ATOM 0 HD1 TRP A 3 1.033 -1.322 0.239 1.00 12.22 H new ATOM 0 HE1 TRP A 3 0.040 0.211 2.067 1.00 73.42 H new ATOM 0 HE3 TRP A 3 -3.049 0.380 -2.337 1.00 14.24 H new ATOM 0 HZ2 TRP A 3 -2.173 1.922 2.324 1.00 1.40 H new ATOM 0 HZ3 TRP A 3 -4.558 1.980 -1.227 1.00 11.13 H new ATOM 0 HH2 TRP A 3 -4.121 2.741 1.072 1.00 34.52 H new ATOM 55 N MET A 4 0.742 -4.020 -3.789 1.00 14.41 N ATOM 56 CA MET A 4 1.074 -4.764 -5.009 1.00 70.10 C ATOM 57 C MET A 4 0.194 -6.020 -5.134 1.00 53.21 C ATOM 58 O MET A 4 -0.592 -6.155 -6.073 1.00 64.44 O ATOM 59 CB MET A 4 2.557 -5.176 -4.991 1.00 42.15 C ATOM 60 CG MET A 4 3.527 -4.055 -4.634 1.00 15.33 C ATOM 61 SD MET A 4 3.338 -3.474 -2.934 1.00 31.14 S ATOM 62 CE MET A 4 4.613 -2.219 -2.861 1.00 35.41 C ATOM 0 H MET A 4 1.544 -3.850 -3.182 1.00 14.41 H new ATOM 0 HA MET A 4 0.888 -4.116 -5.865 1.00 70.10 H new ATOM 0 HB2 MET A 4 2.685 -5.990 -4.277 1.00 42.15 H new ATOM 0 HB3 MET A 4 2.823 -5.569 -5.973 1.00 42.15 H new ATOM 0 HG2 MET A 4 4.549 -4.405 -4.781 1.00 15.33 H new ATOM 0 HG3 MET A 4 3.375 -3.219 -5.317 1.00 15.33 H new ATOM 0 HE1 MET A 4 4.622 -1.766 -1.870 1.00 35.41 H new ATOM 0 HE2 MET A 4 5.583 -2.674 -3.061 1.00 35.41 H new ATOM 0 HE3 MET A 4 4.411 -1.452 -3.608 1.00 35.41 H new ATOM 72 N GLN A 5 0.345 -6.938 -4.176 1.00 32.40 N ATOM 73 CA GLN A 5 -0.493 -8.142 -4.097 1.00 62.22 C ATOM 74 C GLN A 5 -1.990 -7.788 -4.008 1.00 52.24 C ATOM 75 O GLN A 5 -2.828 -8.456 -4.610 1.00 25.44 O ATOM 76 CB GLN A 5 -0.089 -8.973 -2.870 1.00 30.12 C ATOM 77 CG GLN A 5 1.379 -9.391 -2.850 1.00 64.24 C ATOM 78 CD GLN A 5 1.707 -10.571 -3.758 1.00 62.03 C ATOM 79 OE1 GLN A 5 1.053 -10.816 -4.771 1.00 63.31 O ATOM 80 NE2 GLN A 5 2.742 -11.306 -3.407 1.00 31.02 N ATOM 0 H GLN A 5 1.045 -6.871 -3.437 1.00 32.40 H new ATOM 0 HA GLN A 5 -0.336 -8.719 -5.008 1.00 62.22 H new ATOM 0 HB2 GLN A 5 -0.303 -8.397 -1.969 1.00 30.12 H new ATOM 0 HB3 GLN A 5 -0.710 -9.868 -2.831 1.00 30.12 H new ATOM 0 HG2 GLN A 5 1.991 -8.539 -3.145 1.00 64.24 H new ATOM 0 HG3 GLN A 5 1.658 -9.645 -1.828 1.00 64.24 H new ATOM 0 HE21 GLN A 5 3.266 -11.079 -2.562 1.00 31.02 H new ATOM 0 HE22 GLN A 5 3.020 -12.102 -3.981 1.00 31.02 H new ATOM 89 N ASN A 6 -2.310 -6.733 -3.257 1.00 65.32 N ATOM 90 CA ASN A 6 -3.700 -6.286 -3.077 1.00 61.21 C ATOM 91 C ASN A 6 -4.386 -5.992 -4.426 1.00 23.33 C ATOM 92 O ASN A 6 -5.516 -6.422 -4.669 1.00 62.14 O ATOM 93 CB ASN A 6 -3.728 -5.039 -2.186 1.00 22.32 C ATOM 94 CG ASN A 6 -5.136 -4.590 -1.843 1.00 2.21 C ATOM 95 OD1 ASN A 6 -5.718 -5.030 -0.859 1.00 41.32 O ATOM 96 ND2 ASN A 6 -5.694 -3.709 -2.646 1.00 0.34 N ATOM 0 H ASN A 6 -1.623 -6.166 -2.759 1.00 65.32 H new ATOM 0 HA ASN A 6 -4.255 -7.093 -2.598 1.00 61.21 H new ATOM 0 HB2 ASN A 6 -3.183 -5.245 -1.265 1.00 22.32 H new ATOM 0 HB3 ASN A 6 -3.206 -4.226 -2.691 1.00 22.32 H new ATOM 0 HD21 ASN A 6 -6.638 -3.373 -2.457 1.00 0.34 H new ATOM 0 HD22 ASN A 6 -5.182 -3.362 -3.457 1.00 0.34 H new ATOM 103 N LEU A 7 -3.700 -5.249 -5.295 1.00 44.04 N ATOM 104 CA LEU A 7 -4.194 -4.987 -6.654 1.00 4.13 C ATOM 105 C LEU A 7 -4.113 -6.257 -7.515 1.00 32.22 C ATOM 106 O LEU A 7 -5.017 -6.558 -8.295 1.00 14.42 O ATOM 107 CB LEU A 7 -3.393 -3.845 -7.312 1.00 32.25 C ATOM 108 CG LEU A 7 -3.840 -2.413 -6.954 1.00 20.13 C ATOM 109 CD1 LEU A 7 -5.266 -2.164 -7.432 1.00 62.24 C ATOM 110 CD2 LEU A 7 -3.716 -2.145 -5.454 1.00 31.25 C ATOM 0 H LEU A 7 -2.800 -4.816 -5.085 1.00 44.04 H new ATOM 0 HA LEU A 7 -5.238 -4.683 -6.582 1.00 4.13 H new ATOM 0 HB2 LEU A 7 -2.345 -3.957 -7.036 1.00 32.25 H new ATOM 0 HB3 LEU A 7 -3.452 -3.963 -8.394 1.00 32.25 H new ATOM 0 HG LEU A 7 -3.175 -1.718 -7.467 1.00 20.13 H new ATOM 0 HD11 LEU A 7 -5.565 -1.149 -7.171 1.00 62.24 H new ATOM 0 HD12 LEU A 7 -5.314 -2.290 -8.514 1.00 62.24 H new ATOM 0 HD13 LEU A 7 -5.940 -2.875 -6.954 1.00 62.24 H new ATOM 0 HD21 LEU A 7 -4.039 -1.127 -5.238 1.00 31.25 H new ATOM 0 HD22 LEU A 7 -4.342 -2.849 -4.906 1.00 31.25 H new ATOM 0 HD23 LEU A 7 -2.677 -2.268 -5.147 1.00 31.25 H new ATOM 122 N LYS A 8 -3.020 -6.998 -7.352 1.00 13.54 N ATOM 123 CA LYS A 8 -2.802 -8.268 -8.058 1.00 74.43 C ATOM 124 C LYS A 8 -3.934 -9.281 -7.781 1.00 51.34 C ATOM 125 O LYS A 8 -4.247 -10.122 -8.622 1.00 12.22 O ATOM 126 CB LYS A 8 -1.425 -8.820 -7.640 1.00 2.41 C ATOM 127 CG LYS A 8 -1.027 -10.170 -8.243 1.00 64.45 C ATOM 128 CD LYS A 8 -1.502 -11.349 -7.390 1.00 25.55 C ATOM 129 CE LYS A 8 -0.610 -12.567 -7.577 1.00 40.52 C ATOM 130 NZ LYS A 8 0.789 -12.287 -7.149 1.00 2.44 N ATOM 0 H LYS A 8 -2.257 -6.739 -6.727 1.00 13.54 H new ATOM 0 HA LYS A 8 -2.816 -8.095 -9.134 1.00 74.43 H new ATOM 0 HB2 LYS A 8 -0.665 -8.087 -7.910 1.00 2.41 H new ATOM 0 HB3 LYS A 8 -1.408 -8.911 -6.554 1.00 2.41 H new ATOM 0 HG2 LYS A 8 -1.448 -10.256 -9.245 1.00 64.45 H new ATOM 0 HG3 LYS A 8 0.057 -10.213 -8.348 1.00 64.45 H new ATOM 0 HD2 LYS A 8 -1.509 -11.060 -6.339 1.00 25.55 H new ATOM 0 HD3 LYS A 8 -2.528 -11.603 -7.658 1.00 25.55 H new ATOM 0 HE2 LYS A 8 -1.008 -13.403 -7.002 1.00 40.52 H new ATOM 0 HE3 LYS A 8 -0.618 -12.869 -8.624 1.00 40.52 H new ATOM 0 HZ1 LYS A 8 1.375 -13.132 -7.305 1.00 2.44 H new ATOM 0 HZ2 LYS A 8 1.170 -11.494 -7.704 1.00 2.44 H new ATOM 0 HZ3 LYS A 8 0.800 -12.040 -6.139 1.00 2.44 H new ATOM 144 N ASN A 9 -4.554 -9.190 -6.605 1.00 74.32 N ATOM 145 CA ASN A 9 -5.688 -10.062 -6.254 1.00 3.02 C ATOM 146 C ASN A 9 -6.950 -9.730 -7.072 1.00 43.30 C ATOM 147 O ASN A 9 -7.943 -10.458 -7.020 1.00 21.12 O ATOM 148 CB ASN A 9 -5.987 -9.963 -4.752 1.00 30.33 C ATOM 149 CG ASN A 9 -4.948 -10.675 -3.900 1.00 2.23 C ATOM 150 OD1 ASN A 9 -4.638 -10.253 -2.791 1.00 63.12 O ATOM 151 ND2 ASN A 9 -4.420 -11.781 -4.394 1.00 55.00 N ATOM 0 H ASN A 9 -4.295 -8.525 -5.877 1.00 74.32 H new ATOM 0 HA ASN A 9 -5.401 -11.085 -6.499 1.00 3.02 H new ATOM 0 HB2 ASN A 9 -6.031 -8.913 -4.463 1.00 30.33 H new ATOM 0 HB3 ASN A 9 -6.970 -10.390 -4.552 1.00 30.33 H new ATOM 0 HD21 ASN A 9 -3.736 -12.307 -3.850 1.00 55.00 H new ATOM 0 HD22 ASN A 9 -4.696 -12.109 -5.319 1.00 55.00 H new ATOM 158 N TYR A 10 -6.910 -8.628 -7.816 1.00 11.10 N ATOM 159 CA TYR A 10 -8.015 -8.243 -8.703 1.00 62.34 C ATOM 160 C TYR A 10 -7.743 -8.684 -10.155 1.00 52.35 C ATOM 161 O TYR A 10 -8.597 -8.533 -11.031 1.00 51.53 O ATOM 162 CB TYR A 10 -8.235 -6.722 -8.633 1.00 40.42 C ATOM 163 CG TYR A 10 -9.395 -6.223 -9.478 1.00 14.33 C ATOM 164 CD1 TYR A 10 -10.711 -6.475 -9.103 1.00 75.41 C ATOM 165 CD2 TYR A 10 -9.175 -5.515 -10.657 1.00 62.31 C ATOM 166 CE1 TYR A 10 -11.769 -6.034 -9.875 1.00 2.02 C ATOM 167 CE2 TYR A 10 -10.228 -5.075 -11.433 1.00 62.52 C ATOM 168 CZ TYR A 10 -11.522 -5.337 -11.040 1.00 14.25 C ATOM 169 OH TYR A 10 -12.573 -4.907 -11.819 1.00 24.45 O ATOM 0 H TYR A 10 -6.122 -7.980 -7.825 1.00 11.10 H new ATOM 0 HA TYR A 10 -8.919 -8.750 -8.367 1.00 62.34 H new ATOM 0 HB2 TYR A 10 -8.407 -6.438 -7.595 1.00 40.42 H new ATOM 0 HB3 TYR A 10 -7.323 -6.219 -8.954 1.00 40.42 H new ATOM 0 HD1 TYR A 10 -10.909 -7.024 -8.194 1.00 75.41 H new ATOM 0 HD2 TYR A 10 -8.162 -5.307 -10.970 1.00 62.31 H new ATOM 0 HE1 TYR A 10 -12.785 -6.234 -9.568 1.00 2.02 H new ATOM 0 HE2 TYR A 10 -10.038 -4.528 -12.344 1.00 62.52 H new ATOM 0 HH TYR A 10 -12.226 -4.432 -12.603 1.00 24.45 H new ATOM 179 N GLN A 11 -6.559 -9.256 -10.391 1.00 71.32 N ATOM 180 CA GLN A 11 -6.147 -9.693 -11.734 1.00 50.50 C ATOM 181 C GLN A 11 -7.221 -10.560 -12.415 1.00 20.31 C ATOM 182 O GLN A 11 -7.603 -11.618 -11.909 1.00 40.21 O ATOM 183 CB GLN A 11 -4.823 -10.464 -11.652 1.00 74.11 C ATOM 184 CG GLN A 11 -4.374 -11.070 -12.977 1.00 32.22 C ATOM 185 CD GLN A 11 -3.002 -11.715 -12.886 1.00 72.50 C ATOM 186 OE1 GLN A 11 -2.871 -12.889 -12.560 1.00 71.22 O ATOM 187 NE2 GLN A 11 -1.966 -10.952 -13.172 1.00 24.24 N ATOM 0 H GLN A 11 -5.863 -9.429 -9.666 1.00 71.32 H new ATOM 0 HA GLN A 11 -6.013 -8.799 -12.343 1.00 50.50 H new ATOM 0 HB2 GLN A 11 -4.045 -9.792 -11.290 1.00 74.11 H new ATOM 0 HB3 GLN A 11 -4.924 -11.261 -10.915 1.00 74.11 H new ATOM 0 HG2 GLN A 11 -5.102 -11.815 -13.297 1.00 32.22 H new ATOM 0 HG3 GLN A 11 -4.357 -10.293 -13.741 1.00 32.22 H new ATOM 0 HE21 GLN A 11 -2.108 -9.978 -13.440 1.00 24.24 H new ATOM 0 HE22 GLN A 11 -1.022 -11.335 -13.125 1.00 24.24 H new ATOM 196 N HIS A 12 -7.695 -10.103 -13.572 1.00 62.54 N ATOM 197 CA HIS A 12 -8.763 -10.798 -14.302 1.00 31.13 C ATOM 198 C HIS A 12 -8.428 -11.002 -15.793 1.00 13.52 C ATOM 199 O HIS A 12 -8.861 -11.981 -16.399 1.00 12.42 O ATOM 200 CB HIS A 12 -10.090 -10.036 -14.153 1.00 24.02 C ATOM 201 CG HIS A 12 -10.009 -8.583 -14.510 1.00 24.22 C ATOM 202 ND1 HIS A 12 -10.380 -8.086 -15.739 1.00 64.55 N ATOM 203 CD2 HIS A 12 -9.602 -7.511 -13.787 1.00 41.44 C ATOM 204 CE1 HIS A 12 -10.204 -6.781 -15.757 1.00 24.05 C ATOM 205 NE2 HIS A 12 -9.733 -6.406 -14.589 1.00 10.01 N ATOM 0 H HIS A 12 -7.359 -9.255 -14.028 1.00 62.54 H new ATOM 0 HA HIS A 12 -8.860 -11.790 -13.860 1.00 31.13 H new ATOM 0 HB2 HIS A 12 -10.842 -10.512 -14.783 1.00 24.02 H new ATOM 0 HB3 HIS A 12 -10.434 -10.127 -13.123 1.00 24.02 H new ATOM 0 HD2 HIS A 12 -9.242 -7.524 -12.769 1.00 41.44 H new ATOM 0 HE1 HIS A 12 -10.412 -6.128 -16.592 1.00 24.05 H new ATOM 0 HE2 HIS A 12 -9.502 -5.449 -14.322 1.00 10.01 H new ATOM 214 N LEU A 13 -7.650 -10.095 -16.383 1.00 41.43 N ATOM 215 CA LEU A 13 -7.357 -10.163 -17.826 1.00 43.42 C ATOM 216 C LEU A 13 -5.843 -10.082 -18.108 1.00 70.33 C ATOM 217 O LEU A 13 -5.174 -11.104 -18.265 1.00 10.34 O ATOM 218 CB LEU A 13 -8.113 -9.038 -18.559 1.00 74.54 C ATOM 219 CG LEU A 13 -8.009 -9.050 -20.091 1.00 72.23 C ATOM 220 CD1 LEU A 13 -8.591 -10.341 -20.663 1.00 3.42 C ATOM 221 CD2 LEU A 13 -8.709 -7.828 -20.686 1.00 13.04 C ATOM 0 H LEU A 13 -7.213 -9.312 -15.897 1.00 41.43 H new ATOM 0 HA LEU A 13 -7.698 -11.129 -18.199 1.00 43.42 H new ATOM 0 HB2 LEU A 13 -9.166 -9.096 -18.285 1.00 74.54 H new ATOM 0 HB3 LEU A 13 -7.741 -8.080 -18.196 1.00 74.54 H new ATOM 0 HG LEU A 13 -6.954 -9.006 -20.363 1.00 72.23 H new ATOM 0 HD11 LEU A 13 -8.507 -10.328 -21.750 1.00 3.42 H new ATOM 0 HD12 LEU A 13 -8.041 -11.195 -20.267 1.00 3.42 H new ATOM 0 HD13 LEU A 13 -9.641 -10.423 -20.381 1.00 3.42 H new ATOM 0 HD21 LEU A 13 -8.625 -7.854 -21.772 1.00 13.04 H new ATOM 0 HD22 LEU A 13 -9.762 -7.838 -20.403 1.00 13.04 H new ATOM 0 HD23 LEU A 13 -8.240 -6.920 -20.307 1.00 13.04 H new ATOM 233 N ARG A 14 -5.315 -8.863 -18.168 1.00 30.44 N ATOM 234 CA ARG A 14 -3.877 -8.629 -18.377 1.00 44.34 C ATOM 235 C ARG A 14 -3.468 -7.349 -17.631 1.00 63.23 C ATOM 236 O ARG A 14 -2.679 -6.535 -18.113 1.00 4.24 O ATOM 237 CB ARG A 14 -3.562 -8.525 -19.882 1.00 33.13 C ATOM 238 CG ARG A 14 -2.066 -8.531 -20.203 1.00 61.25 C ATOM 239 CD ARG A 14 -1.797 -8.472 -21.707 1.00 75.12 C ATOM 240 NE ARG A 14 -2.365 -7.273 -22.327 1.00 54.44 N ATOM 241 CZ ARG A 14 -1.732 -6.510 -23.178 1.00 65.30 C ATOM 242 NH1 ARG A 14 -0.513 -6.770 -23.523 1.00 31.13 N ATOM 243 NH2 ARG A 14 -2.321 -5.483 -23.692 1.00 34.12 N ATOM 0 H ARG A 14 -5.864 -8.008 -18.074 1.00 30.44 H new ATOM 0 HA ARG A 14 -3.304 -9.468 -17.982 1.00 44.34 H new ATOM 0 HB2 ARG A 14 -4.039 -9.356 -20.401 1.00 33.13 H new ATOM 0 HB3 ARG A 14 -4.004 -7.609 -20.274 1.00 33.13 H new ATOM 0 HG2 ARG A 14 -1.589 -7.680 -19.717 1.00 61.25 H new ATOM 0 HG3 ARG A 14 -1.611 -9.431 -19.789 1.00 61.25 H new ATOM 0 HD2 ARG A 14 -0.721 -8.494 -21.883 1.00 75.12 H new ATOM 0 HD3 ARG A 14 -2.216 -9.358 -22.184 1.00 75.12 H new ATOM 0 HE ARG A 14 -3.320 -7.016 -22.077 1.00 54.44 H new ATOM 0 HH11 ARG A 14 -0.033 -7.580 -23.130 1.00 31.13 H new ATOM 0 HH12 ARG A 14 -0.031 -6.165 -24.189 1.00 31.13 H new ATOM 0 HH21 ARG A 14 -3.283 -5.265 -23.434 1.00 34.12 H new ATOM 0 HH22 ARG A 14 -1.824 -4.889 -24.356 1.00 34.12 H new ATOM 257 N ASP A 15 -4.020 -7.224 -16.429 1.00 62.34 N ATOM 258 CA ASP A 15 -3.917 -6.026 -15.588 1.00 73.24 C ATOM 259 C ASP A 15 -2.468 -5.480 -15.488 1.00 51.42 C ATOM 260 O ASP A 15 -1.603 -6.088 -14.854 1.00 11.31 O ATOM 261 CB ASP A 15 -4.481 -6.373 -14.205 1.00 21.21 C ATOM 262 CG ASP A 15 -5.903 -6.917 -14.287 1.00 72.51 C ATOM 263 OD1 ASP A 15 -6.096 -8.032 -14.833 1.00 34.23 O ATOM 264 OD2 ASP A 15 -6.834 -6.239 -13.813 1.00 31.50 O ATOM 0 H ASP A 15 -4.566 -7.969 -15.997 1.00 62.34 H new ATOM 0 HA ASP A 15 -4.494 -5.222 -16.046 1.00 73.24 H new ATOM 0 HB2 ASP A 15 -3.838 -7.111 -13.726 1.00 21.21 H new ATOM 0 HB3 ASP A 15 -4.469 -5.483 -13.575 1.00 21.21 H new ATOM 269 N PRO A 16 -2.201 -4.307 -16.116 1.00 41.32 N ATOM 270 CA PRO A 16 -0.840 -3.740 -16.248 1.00 55.21 C ATOM 271 C PRO A 16 -0.247 -3.202 -14.933 1.00 3.31 C ATOM 272 O PRO A 16 0.808 -3.663 -14.484 1.00 32.13 O ATOM 273 CB PRO A 16 -1.022 -2.588 -17.263 1.00 3.35 C ATOM 274 CG PRO A 16 -2.401 -2.750 -17.821 1.00 45.14 C ATOM 275 CD PRO A 16 -3.202 -3.441 -16.754 1.00 50.13 C ATOM 0 HA PRO A 16 -0.134 -4.510 -16.559 1.00 55.21 H new ATOM 0 HB2 PRO A 16 -0.908 -1.618 -16.778 1.00 3.35 H new ATOM 0 HB3 PRO A 16 -0.272 -2.640 -18.052 1.00 3.35 H new ATOM 0 HG2 PRO A 16 -2.837 -1.783 -18.071 1.00 45.14 H new ATOM 0 HG3 PRO A 16 -2.384 -3.338 -18.738 1.00 45.14 H new ATOM 0 HD2 PRO A 16 -3.634 -2.732 -16.048 1.00 50.13 H new ATOM 0 HD3 PRO A 16 -4.027 -4.016 -17.174 1.00 50.13 H new ATOM 283 N SER A 17 -0.924 -2.226 -14.319 1.00 1.34 N ATOM 284 CA SER A 17 -0.414 -1.566 -13.100 1.00 64.23 C ATOM 285 C SER A 17 -0.142 -2.577 -11.983 1.00 52.43 C ATOM 286 O SER A 17 0.752 -2.389 -11.154 1.00 2.30 O ATOM 287 CB SER A 17 -1.404 -0.495 -12.610 1.00 2.32 C ATOM 288 OG SER A 17 -2.723 -1.016 -12.490 1.00 65.01 O ATOM 0 H SER A 17 -1.825 -1.872 -14.641 1.00 1.34 H new ATOM 0 HA SER A 17 0.530 -1.087 -13.359 1.00 64.23 H new ATOM 0 HB2 SER A 17 -1.075 -0.109 -11.645 1.00 2.32 H new ATOM 0 HB3 SER A 17 -1.406 0.345 -13.305 1.00 2.32 H new ATOM 0 HG SER A 17 -2.708 -1.984 -12.645 1.00 65.01 H new ATOM 294 N GLU A 18 -0.912 -3.655 -11.986 1.00 52.40 N ATOM 295 CA GLU A 18 -0.742 -4.748 -11.033 1.00 62.22 C ATOM 296 C GLU A 18 0.654 -5.376 -11.169 1.00 34.13 C ATOM 297 O GLU A 18 1.351 -5.577 -10.177 1.00 0.34 O ATOM 298 CB GLU A 18 -1.841 -5.802 -11.253 1.00 5.33 C ATOM 299 CG GLU A 18 -3.243 -5.352 -10.824 1.00 32.04 C ATOM 300 CD GLU A 18 -3.658 -3.999 -11.397 1.00 53.54 C ATOM 301 OE1 GLU A 18 -3.596 -3.818 -12.629 1.00 64.12 O ATOM 302 OE2 GLU A 18 -4.025 -3.098 -10.614 1.00 60.34 O ATOM 0 H GLU A 18 -1.674 -3.799 -12.649 1.00 52.40 H new ATOM 0 HA GLU A 18 -0.831 -4.353 -10.021 1.00 62.22 H new ATOM 0 HB2 GLU A 18 -1.865 -6.069 -12.309 1.00 5.33 H new ATOM 0 HB3 GLU A 18 -1.578 -6.705 -10.702 1.00 5.33 H new ATOM 0 HG2 GLU A 18 -3.967 -6.105 -11.135 1.00 32.04 H new ATOM 0 HG3 GLU A 18 -3.281 -5.303 -9.736 1.00 32.04 H new ATOM 309 N TYR A 19 1.071 -5.660 -12.406 1.00 13.25 N ATOM 310 CA TYR A 19 2.431 -6.159 -12.667 1.00 44.41 C ATOM 311 C TYR A 19 3.479 -5.087 -12.333 1.00 1.43 C ATOM 312 O TYR A 19 4.468 -5.348 -11.640 1.00 43.13 O ATOM 313 CB TYR A 19 2.591 -6.569 -14.137 1.00 31.23 C ATOM 314 CG TYR A 19 1.693 -7.709 -14.574 1.00 33.53 C ATOM 315 CD1 TYR A 19 1.624 -8.886 -13.837 1.00 13.45 C ATOM 316 CD2 TYR A 19 0.920 -7.611 -15.728 1.00 72.23 C ATOM 317 CE1 TYR A 19 0.813 -9.929 -14.236 1.00 21.32 C ATOM 318 CE2 TYR A 19 0.108 -8.651 -16.131 1.00 40.10 C ATOM 319 CZ TYR A 19 0.058 -9.806 -15.382 1.00 32.25 C ATOM 320 OH TYR A 19 -0.751 -10.846 -15.780 1.00 34.04 O ATOM 0 H TYR A 19 0.493 -5.555 -13.240 1.00 13.25 H new ATOM 0 HA TYR A 19 2.586 -7.030 -12.030 1.00 44.41 H new ATOM 0 HB2 TYR A 19 2.389 -5.702 -14.767 1.00 31.23 H new ATOM 0 HB3 TYR A 19 3.629 -6.854 -14.310 1.00 31.23 H new ATOM 0 HD1 TYR A 19 2.214 -8.986 -12.938 1.00 13.45 H new ATOM 0 HD2 TYR A 19 0.957 -6.706 -16.317 1.00 72.23 H new ATOM 0 HE1 TYR A 19 0.770 -10.837 -13.653 1.00 21.32 H new ATOM 0 HE2 TYR A 19 -0.485 -8.560 -17.029 1.00 40.10 H new ATOM 0 HH TYR A 19 -1.217 -10.600 -16.606 1.00 34.04 H new ATOM 330 N MET A 20 3.240 -3.874 -12.833 1.00 65.44 N ATOM 331 CA MET A 20 4.137 -2.731 -12.615 1.00 45.11 C ATOM 332 C MET A 20 4.411 -2.503 -11.117 1.00 43.25 C ATOM 333 O MET A 20 5.487 -2.045 -10.734 1.00 60.23 O ATOM 334 CB MET A 20 3.524 -1.472 -13.246 1.00 74.03 C ATOM 335 CG MET A 20 4.401 -0.232 -13.153 1.00 22.50 C ATOM 336 SD MET A 20 3.648 1.200 -13.950 1.00 3.00 S ATOM 337 CE MET A 20 4.929 2.433 -13.722 1.00 2.11 C ATOM 0 H MET A 20 2.421 -3.653 -13.400 1.00 65.44 H new ATOM 0 HA MET A 20 5.093 -2.949 -13.091 1.00 45.11 H new ATOM 0 HB2 MET A 20 3.311 -1.673 -14.296 1.00 74.03 H new ATOM 0 HB3 MET A 20 2.570 -1.265 -12.761 1.00 74.03 H new ATOM 0 HG2 MET A 20 4.592 -0.003 -12.105 1.00 22.50 H new ATOM 0 HG3 MET A 20 5.366 -0.437 -13.616 1.00 22.50 H new ATOM 0 HE1 MET A 20 4.609 3.377 -14.164 1.00 2.11 H new ATOM 0 HE2 MET A 20 5.112 2.575 -12.657 1.00 2.11 H new ATOM 0 HE3 MET A 20 5.846 2.099 -14.206 1.00 2.11 H new ATOM 347 N SER A 21 3.428 -2.826 -10.279 1.00 61.40 N ATOM 348 CA SER A 21 3.587 -2.734 -8.820 1.00 14.52 C ATOM 349 C SER A 21 4.218 -4.020 -8.249 1.00 2.21 C ATOM 350 O SER A 21 5.052 -3.968 -7.343 1.00 20.22 O ATOM 351 CB SER A 21 2.226 -2.465 -8.154 1.00 62.14 C ATOM 352 OG SER A 21 2.370 -2.195 -6.768 1.00 14.12 O ATOM 0 H SER A 21 2.511 -3.154 -10.581 1.00 61.40 H new ATOM 0 HA SER A 21 4.258 -1.903 -8.602 1.00 14.52 H new ATOM 0 HB2 SER A 21 1.742 -1.619 -8.642 1.00 62.14 H new ATOM 0 HB3 SER A 21 1.575 -3.328 -8.292 1.00 62.14 H new ATOM 0 HG SER A 21 3.161 -1.635 -6.624 1.00 14.12 H new ATOM 358 N GLN A 22 3.828 -5.173 -8.806 1.00 2.14 N ATOM 359 CA GLN A 22 4.364 -6.487 -8.389 1.00 31.14 C ATOM 360 C GLN A 22 5.850 -6.669 -8.755 1.00 45.02 C ATOM 361 O GLN A 22 6.464 -7.671 -8.384 1.00 3.45 O ATOM 362 CB GLN A 22 3.531 -7.613 -9.028 1.00 14.35 C ATOM 363 CG GLN A 22 2.216 -7.896 -8.304 1.00 53.32 C ATOM 364 CD GLN A 22 2.381 -8.860 -7.141 1.00 52.23 C ATOM 365 OE1 GLN A 22 2.192 -10.067 -7.287 1.00 3.53 O ATOM 366 NE2 GLN A 22 2.762 -8.348 -5.990 1.00 14.54 N ATOM 0 H GLN A 22 3.137 -5.228 -9.554 1.00 2.14 H new ATOM 0 HA GLN A 22 4.293 -6.532 -7.302 1.00 31.14 H new ATOM 0 HB2 GLN A 22 3.315 -7.349 -10.063 1.00 14.35 H new ATOM 0 HB3 GLN A 22 4.127 -8.526 -9.049 1.00 14.35 H new ATOM 0 HG2 GLN A 22 1.799 -6.958 -7.937 1.00 53.32 H new ATOM 0 HG3 GLN A 22 1.497 -8.308 -9.013 1.00 53.32 H new ATOM 0 HE21 GLN A 22 2.910 -7.343 -5.903 1.00 14.54 H new ATOM 0 HE22 GLN A 22 2.909 -8.957 -5.185 1.00 14.54 H new ATOM 375 N VAL A 23 6.406 -5.716 -9.506 1.00 33.52 N ATOM 376 CA VAL A 23 7.827 -5.739 -9.883 1.00 64.11 C ATOM 377 C VAL A 23 8.753 -6.140 -8.711 1.00 54.22 C ATOM 378 O VAL A 23 8.786 -5.494 -7.660 1.00 2.12 O ATOM 379 CB VAL A 23 8.280 -4.375 -10.473 1.00 41.52 C ATOM 380 CG1 VAL A 23 8.104 -3.239 -9.465 1.00 74.22 C ATOM 381 CG2 VAL A 23 9.724 -4.454 -10.964 1.00 4.32 C ATOM 0 H VAL A 23 5.893 -4.913 -9.869 1.00 33.52 H new ATOM 0 HA VAL A 23 7.919 -6.507 -10.651 1.00 64.11 H new ATOM 0 HB VAL A 23 7.639 -4.153 -11.326 1.00 41.52 H new ATOM 0 HG11 VAL A 23 8.431 -2.301 -9.913 1.00 74.22 H new ATOM 0 HG12 VAL A 23 7.053 -3.160 -9.185 1.00 74.22 H new ATOM 0 HG13 VAL A 23 8.702 -3.445 -8.577 1.00 74.22 H new ATOM 0 HG21 VAL A 23 10.022 -3.489 -11.374 1.00 4.32 H new ATOM 0 HG22 VAL A 23 10.378 -4.713 -10.131 1.00 4.32 H new ATOM 0 HG23 VAL A 23 9.804 -5.217 -11.738 1.00 4.32 H new ATOM 391 N TYR A 24 9.503 -7.223 -8.912 1.00 65.11 N ATOM 392 CA TYR A 24 10.380 -7.784 -7.877 1.00 2.23 C ATOM 393 C TYR A 24 11.786 -8.070 -8.440 1.00 42.24 C ATOM 394 O TYR A 24 11.975 -8.983 -9.243 1.00 51.22 O ATOM 395 CB TYR A 24 9.735 -9.067 -7.306 1.00 60.52 C ATOM 396 CG TYR A 24 10.660 -9.955 -6.480 1.00 73.10 C ATOM 397 CD1 TYR A 24 11.640 -9.417 -5.653 1.00 45.43 C ATOM 398 CD2 TYR A 24 10.548 -11.341 -6.539 1.00 15.45 C ATOM 399 CE1 TYR A 24 12.480 -10.229 -4.918 1.00 61.23 C ATOM 400 CE2 TYR A 24 11.383 -12.160 -5.801 1.00 73.21 C ATOM 401 CZ TYR A 24 12.348 -11.600 -4.994 1.00 14.35 C ATOM 402 OH TYR A 24 13.192 -12.413 -4.271 1.00 62.32 O ATOM 0 H TYR A 24 9.522 -7.737 -9.793 1.00 65.11 H new ATOM 0 HA TYR A 24 10.498 -7.057 -7.073 1.00 2.23 H new ATOM 0 HB2 TYR A 24 8.886 -8.781 -6.686 1.00 60.52 H new ATOM 0 HB3 TYR A 24 9.341 -9.655 -8.135 1.00 60.52 H new ATOM 0 HD1 TYR A 24 11.746 -8.344 -5.585 1.00 45.43 H new ATOM 0 HD2 TYR A 24 9.795 -11.785 -7.173 1.00 15.45 H new ATOM 0 HE1 TYR A 24 13.238 -9.792 -4.285 1.00 61.23 H new ATOM 0 HE2 TYR A 24 11.279 -13.233 -5.857 1.00 73.21 H new ATOM 0 HH TYR A 24 12.964 -13.351 -4.437 1.00 62.32 H new ATOM 412 N GLY A 25 12.771 -7.286 -8.003 1.00 63.33 N ATOM 413 CA GLY A 25 14.140 -7.447 -8.490 1.00 30.11 C ATOM 414 C GLY A 25 14.602 -6.263 -9.331 1.00 63.55 C ATOM 415 O GLY A 25 14.789 -5.162 -8.810 1.00 64.01 O ATOM 0 H GLY A 25 12.648 -6.540 -7.319 1.00 63.33 H new ATOM 0 HA2 GLY A 25 14.812 -7.570 -7.641 1.00 30.11 H new ATOM 0 HA3 GLY A 25 14.206 -8.359 -9.084 1.00 30.11 H new ATOM 419 N ASP A 26 14.783 -6.481 -10.633 1.00 65.42 N ATOM 420 CA ASP A 26 15.173 -5.406 -11.548 1.00 44.32 C ATOM 421 C ASP A 26 13.917 -4.746 -12.150 1.00 62.11 C ATOM 422 O ASP A 26 13.136 -5.407 -12.838 1.00 1.32 O ATOM 423 CB ASP A 26 16.079 -5.958 -12.658 1.00 13.34 C ATOM 424 CG ASP A 26 16.747 -4.858 -13.463 1.00 3.22 C ATOM 425 OD1 ASP A 26 16.132 -4.347 -14.427 1.00 11.03 O ATOM 426 OD2 ASP A 26 17.899 -4.494 -13.136 1.00 22.44 O ATOM 0 H ASP A 26 14.666 -7.391 -11.079 1.00 65.42 H new ATOM 0 HA ASP A 26 15.730 -4.651 -10.993 1.00 44.32 H new ATOM 0 HB2 ASP A 26 16.844 -6.595 -12.215 1.00 13.34 H new ATOM 0 HB3 ASP A 26 15.489 -6.586 -13.326 1.00 13.34 H new ATOM 431 N PRO A 27 13.703 -3.435 -11.899 1.00 52.03 N ATOM 432 CA PRO A 27 12.490 -2.724 -12.347 1.00 54.35 C ATOM 433 C PRO A 27 12.214 -2.887 -13.852 1.00 24.04 C ATOM 434 O PRO A 27 11.125 -3.307 -14.256 1.00 10.13 O ATOM 435 CB PRO A 27 12.785 -1.248 -11.999 1.00 45.41 C ATOM 436 CG PRO A 27 14.253 -1.190 -11.716 1.00 41.14 C ATOM 437 CD PRO A 27 14.619 -2.541 -11.174 1.00 42.42 C ATOM 0 HA PRO A 27 11.596 -3.119 -11.865 1.00 54.35 H new ATOM 0 HB2 PRO A 27 12.518 -0.589 -12.825 1.00 45.41 H new ATOM 0 HB3 PRO A 27 12.205 -0.925 -11.134 1.00 45.41 H new ATOM 0 HG2 PRO A 27 14.817 -0.966 -12.621 1.00 41.14 H new ATOM 0 HG3 PRO A 27 14.482 -0.405 -10.996 1.00 41.14 H new ATOM 0 HD2 PRO A 27 15.663 -2.786 -11.368 1.00 42.42 H new ATOM 0 HD3 PRO A 27 14.473 -2.599 -10.095 1.00 42.42 H new ATOM 445 N LEU A 28 13.213 -2.571 -14.670 1.00 25.34 N ATOM 446 CA LEU A 28 13.073 -2.627 -16.130 1.00 25.23 C ATOM 447 C LEU A 28 12.878 -4.071 -16.620 1.00 23.41 C ATOM 448 O LEU A 28 11.916 -4.380 -17.333 1.00 61.23 O ATOM 449 CB LEU A 28 14.311 -2.011 -16.799 1.00 72.11 C ATOM 450 CG LEU A 28 14.618 -0.554 -16.409 1.00 35.45 C ATOM 451 CD1 LEU A 28 15.881 -0.062 -17.109 1.00 11.22 C ATOM 452 CD2 LEU A 28 13.433 0.353 -16.733 1.00 41.01 C ATOM 0 H LEU A 28 14.134 -2.272 -14.350 1.00 25.34 H new ATOM 0 HA LEU A 28 12.187 -2.055 -16.405 1.00 25.23 H new ATOM 0 HB2 LEU A 28 15.178 -2.625 -16.554 1.00 72.11 H new ATOM 0 HB3 LEU A 28 14.181 -2.060 -17.880 1.00 72.11 H new ATOM 0 HG LEU A 28 14.790 -0.519 -15.333 1.00 35.45 H new ATOM 0 HD11 LEU A 28 16.079 0.970 -16.819 1.00 11.22 H new ATOM 0 HD12 LEU A 28 16.725 -0.689 -16.820 1.00 11.22 H new ATOM 0 HD13 LEU A 28 15.743 -0.115 -18.189 1.00 11.22 H new ATOM 0 HD21 LEU A 28 13.671 1.378 -16.449 1.00 41.01 H new ATOM 0 HD22 LEU A 28 13.225 0.311 -17.802 1.00 41.01 H new ATOM 0 HD23 LEU A 28 12.556 0.018 -16.179 1.00 41.01 H new ATOM 464 N ALA A 29 13.796 -4.950 -16.221 1.00 61.52 N ATOM 465 CA ALA A 29 13.763 -6.353 -16.634 1.00 2.24 C ATOM 466 C ALA A 29 12.462 -7.044 -16.202 1.00 14.11 C ATOM 467 O ALA A 29 11.659 -7.435 -17.046 1.00 43.41 O ATOM 468 CB ALA A 29 14.975 -7.087 -16.078 1.00 13.41 C ATOM 0 H ALA A 29 14.577 -4.714 -15.608 1.00 61.52 H new ATOM 0 HA ALA A 29 13.797 -6.384 -17.723 1.00 2.24 H new ATOM 0 HB1 ALA A 29 14.943 -8.131 -16.390 1.00 13.41 H new ATOM 0 HB2 ALA A 29 15.886 -6.623 -16.456 1.00 13.41 H new ATOM 0 HB3 ALA A 29 14.965 -7.033 -14.989 1.00 13.41 H new ATOM 474 N TYR A 30 12.246 -7.160 -14.888 1.00 24.44 N ATOM 475 CA TYR A 30 11.063 -7.847 -14.352 1.00 0.21 C ATOM 476 C TYR A 30 9.767 -7.325 -14.990 1.00 34.42 C ATOM 477 O TYR A 30 8.888 -8.110 -15.346 1.00 20.00 O ATOM 478 CB TYR A 30 10.998 -7.689 -12.826 1.00 2.31 C ATOM 479 CG TYR A 30 9.920 -8.532 -12.155 1.00 5.43 C ATOM 480 CD1 TYR A 30 8.580 -8.157 -12.193 1.00 12.34 C ATOM 481 CD2 TYR A 30 10.246 -9.702 -11.481 1.00 40.20 C ATOM 482 CE1 TYR A 30 7.604 -8.919 -11.580 1.00 65.32 C ATOM 483 CE2 TYR A 30 9.275 -10.468 -10.863 1.00 52.21 C ATOM 484 CZ TYR A 30 7.955 -10.072 -10.916 1.00 1.41 C ATOM 485 OH TYR A 30 6.985 -10.833 -10.303 1.00 64.34 O ATOM 0 H TYR A 30 12.873 -6.788 -14.175 1.00 24.44 H new ATOM 0 HA TYR A 30 11.157 -8.904 -14.600 1.00 0.21 H new ATOM 0 HB2 TYR A 30 11.967 -7.955 -12.403 1.00 2.31 H new ATOM 0 HB3 TYR A 30 10.823 -6.640 -12.588 1.00 2.31 H new ATOM 0 HD1 TYR A 30 8.298 -7.253 -12.712 1.00 12.34 H new ATOM 0 HD2 TYR A 30 11.277 -10.019 -11.439 1.00 40.20 H new ATOM 0 HE1 TYR A 30 6.570 -8.611 -11.622 1.00 65.32 H new ATOM 0 HE2 TYR A 30 9.549 -11.373 -10.341 1.00 52.21 H new ATOM 0 HH TYR A 30 7.400 -11.614 -9.881 1.00 64.34 H new ATOM 495 N LEU A 31 9.646 -5.999 -15.132 1.00 33.22 N ATOM 496 CA LEU A 31 8.460 -5.405 -15.763 1.00 51.24 C ATOM 497 C LEU A 31 8.215 -6.015 -17.153 1.00 44.35 C ATOM 498 O LEU A 31 7.095 -6.408 -17.486 1.00 72.12 O ATOM 499 CB LEU A 31 8.609 -3.880 -15.881 1.00 34.43 C ATOM 500 CG LEU A 31 7.419 -3.146 -16.527 1.00 54.34 C ATOM 501 CD1 LEU A 31 6.133 -3.387 -15.737 1.00 11.34 C ATOM 502 CD2 LEU A 31 7.710 -1.651 -16.643 1.00 34.23 C ATOM 0 H LEU A 31 10.345 -5.324 -14.823 1.00 33.22 H new ATOM 0 HA LEU A 31 7.602 -5.625 -15.128 1.00 51.24 H new ATOM 0 HB2 LEU A 31 8.769 -3.470 -14.884 1.00 34.43 H new ATOM 0 HB3 LEU A 31 9.506 -3.664 -16.462 1.00 34.43 H new ATOM 0 HG LEU A 31 7.277 -3.548 -17.530 1.00 54.34 H new ATOM 0 HD11 LEU A 31 5.308 -2.858 -16.214 1.00 11.34 H new ATOM 0 HD12 LEU A 31 5.914 -4.455 -15.715 1.00 11.34 H new ATOM 0 HD13 LEU A 31 6.258 -3.021 -14.718 1.00 11.34 H new ATOM 0 HD21 LEU A 31 6.858 -1.149 -17.102 1.00 34.23 H new ATOM 0 HD22 LEU A 31 7.884 -1.236 -15.650 1.00 34.23 H new ATOM 0 HD23 LEU A 31 8.596 -1.500 -17.260 1.00 34.23 H new ATOM 514 N GLN A 32 9.272 -6.105 -17.952 1.00 14.14 N ATOM 515 CA GLN A 32 9.189 -6.709 -19.284 1.00 52.14 C ATOM 516 C GLN A 32 8.907 -8.223 -19.191 1.00 43.50 C ATOM 517 O GLN A 32 7.968 -8.740 -19.809 1.00 30.35 O ATOM 518 CB GLN A 32 10.503 -6.465 -20.043 1.00 54.20 C ATOM 519 CG GLN A 32 10.453 -6.853 -21.516 1.00 31.33 C ATOM 520 CD GLN A 32 9.449 -6.027 -22.300 1.00 61.51 C ATOM 521 OE1 GLN A 32 8.285 -6.393 -22.431 1.00 60.00 O ATOM 522 NE2 GLN A 32 9.890 -4.906 -22.825 1.00 15.40 N ATOM 0 H GLN A 32 10.202 -5.767 -17.703 1.00 14.14 H new ATOM 0 HA GLN A 32 8.363 -6.244 -19.823 1.00 52.14 H new ATOM 0 HB2 GLN A 32 10.764 -5.410 -19.965 1.00 54.20 H new ATOM 0 HB3 GLN A 32 11.300 -7.027 -19.557 1.00 54.20 H new ATOM 0 HG2 GLN A 32 11.443 -6.729 -21.955 1.00 31.33 H new ATOM 0 HG3 GLN A 32 10.196 -7.909 -21.602 1.00 31.33 H new ATOM 0 HE21 GLN A 32 10.864 -4.631 -22.697 1.00 15.40 H new ATOM 0 HE22 GLN A 32 9.258 -4.311 -23.361 1.00 15.40 H new ATOM 531 N GLU A 33 9.713 -8.909 -18.383 1.00 54.13 N ATOM 532 CA GLU A 33 9.636 -10.366 -18.219 1.00 54.24 C ATOM 533 C GLU A 33 8.254 -10.830 -17.716 1.00 32.54 C ATOM 534 O GLU A 33 7.827 -11.954 -18.002 1.00 23.24 O ATOM 535 CB GLU A 33 10.740 -10.833 -17.252 1.00 71.00 C ATOM 536 CG GLU A 33 12.157 -10.500 -17.727 1.00 61.23 C ATOM 537 CD GLU A 33 13.237 -10.850 -16.707 1.00 32.03 C ATOM 538 OE1 GLU A 33 13.342 -10.146 -15.683 1.00 62.44 O ATOM 539 OE2 GLU A 33 14.007 -11.806 -16.940 1.00 43.23 O ATOM 0 H GLU A 33 10.442 -8.471 -17.820 1.00 54.13 H new ATOM 0 HA GLU A 33 9.784 -10.818 -19.200 1.00 54.24 H new ATOM 0 HB2 GLU A 33 10.576 -10.373 -16.278 1.00 71.00 H new ATOM 0 HB3 GLU A 33 10.657 -11.911 -17.113 1.00 71.00 H new ATOM 0 HG2 GLU A 33 12.357 -11.036 -18.655 1.00 61.23 H new ATOM 0 HG3 GLU A 33 12.215 -9.436 -17.955 1.00 61.23 H new ATOM 546 N THR A 34 7.554 -9.972 -16.966 1.00 42.11 N ATOM 547 CA THR A 34 6.216 -10.318 -16.457 1.00 45.43 C ATOM 548 C THR A 34 5.101 -9.888 -17.423 1.00 31.43 C ATOM 549 O THR A 34 4.138 -10.629 -17.634 1.00 24.23 O ATOM 550 CB THR A 34 5.937 -9.718 -15.056 1.00 74.22 C ATOM 551 OG1 THR A 34 4.711 -10.250 -14.537 1.00 60.12 O ATOM 552 CG2 THR A 34 5.851 -8.195 -15.092 1.00 22.25 C ATOM 0 H THR A 34 7.883 -9.044 -16.699 1.00 42.11 H new ATOM 0 HA THR A 34 6.213 -11.405 -16.373 1.00 45.43 H new ATOM 0 HB THR A 34 6.772 -9.992 -14.410 1.00 74.22 H new ATOM 0 HG1 THR A 34 4.043 -9.535 -14.478 1.00 60.12 H new ATOM 0 HG21 THR A 34 5.654 -7.818 -14.088 1.00 22.25 H new ATOM 0 HG22 THR A 34 6.794 -7.786 -15.455 1.00 22.25 H new ATOM 0 HG23 THR A 34 5.043 -7.892 -15.758 1.00 22.25 H new ATOM 560 N THR A 35 5.244 -8.704 -18.030 1.00 31.51 N ATOM 561 CA THR A 35 4.228 -8.175 -18.963 1.00 31.22 C ATOM 562 C THR A 35 4.034 -9.091 -20.181 1.00 31.13 C ATOM 563 O THR A 35 2.941 -9.159 -20.749 1.00 31.41 O ATOM 564 CB THR A 35 4.576 -6.739 -19.446 1.00 30.45 C ATOM 565 OG1 THR A 35 4.545 -5.825 -18.337 1.00 34.20 O ATOM 566 CG2 THR A 35 3.610 -6.249 -20.525 1.00 2.13 C ATOM 0 H THR A 35 6.049 -8.092 -17.896 1.00 31.51 H new ATOM 0 HA THR A 35 3.294 -8.139 -18.402 1.00 31.22 H new ATOM 0 HB THR A 35 5.577 -6.776 -19.876 1.00 30.45 H new ATOM 0 HG1 THR A 35 5.392 -5.876 -17.847 1.00 34.20 H new ATOM 0 HG21 THR A 35 3.890 -5.242 -20.834 1.00 2.13 H new ATOM 0 HG22 THR A 35 3.655 -6.918 -21.385 1.00 2.13 H new ATOM 0 HG23 THR A 35 2.595 -6.238 -20.127 1.00 2.13 H new ATOM 574 N LYS A 36 5.092 -9.805 -20.579 1.00 53.11 N ATOM 575 CA LYS A 36 4.997 -10.791 -21.672 1.00 64.22 C ATOM 576 C LYS A 36 3.965 -11.901 -21.374 1.00 52.35 C ATOM 577 O LYS A 36 3.580 -12.647 -22.276 1.00 61.13 O ATOM 578 CB LYS A 36 6.369 -11.434 -21.944 1.00 41.10 C ATOM 579 CG LYS A 36 7.387 -10.514 -22.618 1.00 21.22 C ATOM 580 CD LYS A 36 6.868 -9.965 -23.947 1.00 50.11 C ATOM 581 CE LYS A 36 7.989 -9.384 -24.807 1.00 64.23 C ATOM 582 NZ LYS A 36 8.817 -8.393 -24.073 1.00 72.13 N ATOM 0 H LYS A 36 6.021 -9.723 -20.166 1.00 53.11 H new ATOM 0 HA LYS A 36 4.662 -10.246 -22.554 1.00 64.22 H new ATOM 0 HB2 LYS A 36 6.785 -11.782 -20.999 1.00 41.10 H new ATOM 0 HB3 LYS A 36 6.224 -12.314 -22.571 1.00 41.10 H new ATOM 0 HG2 LYS A 36 7.625 -9.685 -21.951 1.00 21.22 H new ATOM 0 HG3 LYS A 36 8.314 -11.062 -22.789 1.00 21.22 H new ATOM 0 HD2 LYS A 36 6.366 -10.762 -24.496 1.00 50.11 H new ATOM 0 HD3 LYS A 36 6.123 -9.193 -23.754 1.00 50.11 H new ATOM 0 HE2 LYS A 36 8.627 -10.194 -25.161 1.00 64.23 H new ATOM 0 HE3 LYS A 36 7.557 -8.910 -25.688 1.00 64.23 H new ATOM 0 HZ1 LYS A 36 9.350 -7.814 -24.753 1.00 72.13 H new ATOM 0 HZ2 LYS A 36 8.200 -7.778 -23.504 1.00 72.13 H new ATOM 0 HZ3 LYS A 36 9.481 -8.891 -23.447 1.00 72.13 H new ATOM 596 N PHE A 37 3.533 -12.009 -20.110 1.00 4.10 N ATOM 597 CA PHE A 37 2.584 -13.048 -19.683 1.00 5.03 C ATOM 598 C PHE A 37 3.121 -14.443 -20.046 1.00 23.32 C ATOM 599 O PHE A 37 2.662 -15.079 -20.998 1.00 13.43 O ATOM 600 CB PHE A 37 1.195 -12.810 -20.308 1.00 44.33 C ATOM 601 CG PHE A 37 0.075 -13.567 -19.631 1.00 4.24 C ATOM 602 CD1 PHE A 37 -0.617 -13.000 -18.569 1.00 43.34 C ATOM 603 CD2 PHE A 37 -0.285 -14.841 -20.051 1.00 23.52 C ATOM 604 CE1 PHE A 37 -1.641 -13.686 -17.943 1.00 32.23 C ATOM 605 CE2 PHE A 37 -1.308 -15.530 -19.428 1.00 42.20 C ATOM 606 CZ PHE A 37 -1.986 -14.953 -18.372 1.00 11.34 C ATOM 0 H PHE A 37 3.828 -11.384 -19.360 1.00 4.10 H new ATOM 0 HA PHE A 37 2.475 -12.995 -18.600 1.00 5.03 H new ATOM 0 HB2 PHE A 37 0.971 -11.744 -20.274 1.00 44.33 H new ATOM 0 HB3 PHE A 37 1.228 -13.095 -21.360 1.00 44.33 H new ATOM 0 HD1 PHE A 37 -0.352 -12.010 -18.228 1.00 43.34 H new ATOM 0 HD2 PHE A 37 0.241 -15.299 -20.875 1.00 23.52 H new ATOM 0 HE1 PHE A 37 -2.171 -13.232 -17.119 1.00 32.23 H new ATOM 0 HE2 PHE A 37 -1.577 -16.519 -19.767 1.00 42.20 H new ATOM 0 HZ PHE A 37 -2.784 -15.491 -17.883 1.00 11.34 H new ATOM 616 N VAL A 38 4.117 -14.898 -19.281 1.00 13.14 N ATOM 617 CA VAL A 38 4.867 -16.116 -19.608 1.00 32.24 C ATOM 618 C VAL A 38 5.481 -15.979 -21.021 1.00 44.45 C ATOM 619 O VAL A 38 6.256 -15.053 -21.265 1.00 63.12 O ATOM 620 CB VAL A 38 3.979 -17.392 -19.497 1.00 53.22 C ATOM 621 CG1 VAL A 38 4.843 -18.654 -19.461 1.00 41.43 C ATOM 622 CG2 VAL A 38 3.073 -17.320 -18.268 1.00 70.11 C ATOM 0 H VAL A 38 4.425 -14.438 -18.424 1.00 13.14 H new ATOM 0 HA VAL A 38 5.670 -16.233 -18.881 1.00 32.24 H new ATOM 0 HB VAL A 38 3.345 -17.440 -20.382 1.00 53.22 H new ATOM 0 HG11 VAL A 38 4.202 -19.532 -19.383 1.00 41.43 H new ATOM 0 HG12 VAL A 38 5.434 -18.716 -20.375 1.00 41.43 H new ATOM 0 HG13 VAL A 38 5.509 -18.614 -18.599 1.00 41.43 H new ATOM 0 HG21 VAL A 38 2.463 -18.222 -18.212 1.00 70.11 H new ATOM 0 HG22 VAL A 38 3.685 -17.239 -17.369 1.00 70.11 H new ATOM 0 HG23 VAL A 38 2.424 -16.447 -18.345 1.00 70.11 H new ATOM 632 N THR A 39 5.151 -16.893 -21.934 1.00 3.34 N ATOM 633 CA THR A 39 5.459 -16.733 -23.364 1.00 74.41 C ATOM 634 C THR A 39 6.948 -16.914 -23.739 1.00 73.24 C ATOM 635 O THR A 39 7.311 -17.908 -24.376 1.00 54.42 O ATOM 636 CB THR A 39 4.977 -15.355 -23.905 1.00 32.20 C ATOM 637 OG1 THR A 39 3.571 -15.182 -23.656 1.00 63.44 O ATOM 638 CG2 THR A 39 5.243 -15.220 -25.405 1.00 14.40 C ATOM 0 H THR A 39 4.666 -17.762 -21.710 1.00 3.34 H new ATOM 0 HA THR A 39 4.910 -17.548 -23.836 1.00 74.41 H new ATOM 0 HB THR A 39 5.540 -14.583 -23.380 1.00 32.20 H new ATOM 0 HG1 THR A 39 3.407 -15.183 -22.690 1.00 63.44 H new ATOM 0 HG21 THR A 39 4.894 -14.247 -25.750 1.00 14.40 H new ATOM 0 HG22 THR A 39 6.313 -15.311 -25.594 1.00 14.40 H new ATOM 0 HG23 THR A 39 4.712 -16.007 -25.941 1.00 14.40 H new ATOM 646 N GLU A 40 7.816 -15.971 -23.350 1.00 41.30 N ATOM 647 CA GLU A 40 9.068 -15.762 -24.099 1.00 5.15 C ATOM 648 C GLU A 40 10.386 -16.236 -23.423 1.00 62.13 C ATOM 649 O GLU A 40 10.643 -16.106 -22.204 1.00 44.34 O ATOM 650 CB GLU A 40 9.185 -14.285 -24.495 1.00 43.13 C ATOM 651 CG GLU A 40 10.143 -14.042 -25.657 1.00 32.23 C ATOM 652 CD GLU A 40 9.756 -14.829 -26.901 1.00 50.35 C ATOM 653 OE1 GLU A 40 10.207 -15.988 -27.045 1.00 53.51 O ATOM 654 OE2 GLU A 40 8.987 -14.300 -27.732 1.00 25.43 O ATOM 0 H GLU A 40 7.684 -15.356 -22.547 1.00 41.30 H new ATOM 0 HA GLU A 40 8.974 -16.416 -24.966 1.00 5.15 H new ATOM 0 HB2 GLU A 40 8.198 -13.909 -24.764 1.00 43.13 H new ATOM 0 HB3 GLU A 40 9.520 -13.711 -23.631 1.00 43.13 H new ATOM 0 HG2 GLU A 40 10.160 -12.978 -25.894 1.00 32.23 H new ATOM 0 HG3 GLU A 40 11.153 -14.318 -25.355 1.00 32.23 H new ATOM 661 N ARG A 41 11.262 -16.741 -24.282 1.00 34.45 N ATOM 662 CA ARG A 41 12.592 -17.168 -23.881 1.00 14.14 C ATOM 663 C ARG A 41 13.337 -16.042 -23.156 1.00 53.42 C ATOM 664 O ARG A 41 14.090 -16.299 -22.225 1.00 65.43 O ATOM 665 CB ARG A 41 13.370 -17.651 -25.112 1.00 53.11 C ATOM 666 CG ARG A 41 12.740 -18.881 -25.758 1.00 73.11 C ATOM 667 CD ARG A 41 13.455 -19.309 -27.033 1.00 2.11 C ATOM 668 NE ARG A 41 12.924 -20.573 -27.542 1.00 13.43 N ATOM 669 CZ ARG A 41 12.246 -20.705 -28.649 1.00 53.54 C ATOM 670 NH1 ARG A 41 11.988 -19.683 -29.401 1.00 13.31 N ATOM 671 NH2 ARG A 41 11.825 -21.875 -28.998 1.00 41.34 N ATOM 0 H ARG A 41 11.069 -16.865 -25.276 1.00 34.45 H new ATOM 0 HA ARG A 41 12.501 -17.997 -23.179 1.00 14.14 H new ATOM 0 HB2 ARG A 41 13.420 -16.846 -25.845 1.00 53.11 H new ATOM 0 HB3 ARG A 41 14.395 -17.882 -24.822 1.00 53.11 H new ATOM 0 HG2 ARG A 41 12.752 -19.706 -25.046 1.00 73.11 H new ATOM 0 HG3 ARG A 41 11.695 -18.671 -25.986 1.00 73.11 H new ATOM 0 HD2 ARG A 41 13.345 -18.534 -27.792 1.00 2.11 H new ATOM 0 HD3 ARG A 41 14.522 -19.413 -26.836 1.00 2.11 H new ATOM 0 HE ARG A 41 13.096 -21.414 -26.991 1.00 13.43 H new ATOM 0 HH11 ARG A 41 12.316 -18.756 -29.131 1.00 13.31 H new ATOM 0 HH12 ARG A 41 11.457 -19.805 -30.263 1.00 13.31 H new ATOM 0 HH21 ARG A 41 12.023 -22.685 -28.410 1.00 41.34 H new ATOM 0 HH22 ARG A 41 11.294 -21.989 -29.861 1.00 41.34 H new ATOM 685 N GLU A 42 13.087 -14.796 -23.562 1.00 22.11 N ATOM 686 CA GLU A 42 13.705 -13.630 -22.917 1.00 11.45 C ATOM 687 C GLU A 42 13.540 -13.657 -21.387 1.00 33.24 C ATOM 688 O GLU A 42 14.502 -13.408 -20.663 1.00 34.04 O ATOM 689 CB GLU A 42 13.141 -12.315 -23.483 1.00 71.13 C ATOM 690 CG GLU A 42 11.666 -12.079 -23.180 1.00 1.32 C ATOM 691 CD GLU A 42 11.148 -10.775 -23.763 1.00 1.13 C ATOM 692 OE1 GLU A 42 11.098 -10.653 -25.006 1.00 64.52 O ATOM 693 OE2 GLU A 42 10.778 -9.871 -22.988 1.00 25.32 O ATOM 0 H GLU A 42 12.461 -14.566 -24.334 1.00 22.11 H new ATOM 0 HA GLU A 42 14.771 -13.682 -23.140 1.00 11.45 H new ATOM 0 HB2 GLU A 42 13.719 -11.483 -23.081 1.00 71.13 H new ATOM 0 HB3 GLU A 42 13.283 -12.309 -24.564 1.00 71.13 H new ATOM 0 HG2 GLU A 42 11.081 -12.908 -23.578 1.00 1.32 H new ATOM 0 HG3 GLU A 42 11.518 -12.074 -22.100 1.00 1.32 H new ATOM 700 N TYR A 43 12.336 -13.981 -20.886 1.00 53.22 N ATOM 701 CA TYR A 43 12.129 -14.024 -19.434 1.00 1.43 C ATOM 702 C TYR A 43 12.945 -15.162 -18.819 1.00 15.52 C ATOM 703 O TYR A 43 13.566 -14.991 -17.777 1.00 34.14 O ATOM 704 CB TYR A 43 10.628 -14.130 -19.033 1.00 51.01 C ATOM 705 CG TYR A 43 9.979 -15.510 -19.165 1.00 65.23 C ATOM 706 CD1 TYR A 43 10.323 -16.562 -18.315 1.00 40.45 C ATOM 707 CD2 TYR A 43 9.017 -15.757 -20.133 1.00 24.53 C ATOM 708 CE1 TYR A 43 9.738 -17.808 -18.439 1.00 33.42 C ATOM 709 CE2 TYR A 43 8.430 -17.003 -20.260 1.00 5.11 C ATOM 710 CZ TYR A 43 8.793 -18.023 -19.412 1.00 1.54 C ATOM 711 OH TYR A 43 8.209 -19.264 -19.546 1.00 0.30 O ATOM 0 H TYR A 43 11.516 -14.210 -21.447 1.00 53.22 H new ATOM 0 HA TYR A 43 12.480 -13.073 -19.033 1.00 1.43 H new ATOM 0 HB2 TYR A 43 10.528 -13.804 -17.998 1.00 51.01 H new ATOM 0 HB3 TYR A 43 10.062 -13.427 -19.644 1.00 51.01 H new ATOM 0 HD1 TYR A 43 11.062 -16.399 -17.544 1.00 40.45 H new ATOM 0 HD2 TYR A 43 8.721 -14.961 -20.800 1.00 24.53 H new ATOM 0 HE1 TYR A 43 10.023 -18.609 -17.773 1.00 33.42 H new ATOM 0 HE2 TYR A 43 7.687 -17.175 -21.025 1.00 5.11 H new ATOM 0 HH TYR A 43 7.562 -19.243 -20.282 1.00 0.30 H new ATOM 721 N TYR A 44 12.969 -16.332 -19.473 1.00 62.34 N ATOM 722 CA TYR A 44 13.728 -17.467 -18.900 1.00 53.03 C ATOM 723 C TYR A 44 15.219 -17.449 -19.321 1.00 1.11 C ATOM 724 O TYR A 44 16.001 -18.312 -18.916 1.00 51.13 O ATOM 725 CB TYR A 44 13.040 -18.826 -19.205 1.00 54.51 C ATOM 726 CG TYR A 44 13.646 -19.664 -20.320 1.00 0.02 C ATOM 727 CD1 TYR A 44 14.673 -20.572 -20.062 1.00 50.31 C ATOM 728 CD2 TYR A 44 13.179 -19.566 -21.622 1.00 65.33 C ATOM 729 CE1 TYR A 44 15.214 -21.344 -21.070 1.00 13.53 C ATOM 730 CE2 TYR A 44 13.716 -20.337 -22.634 1.00 71.33 C ATOM 731 CZ TYR A 44 14.733 -21.222 -22.354 1.00 63.11 C ATOM 732 OH TYR A 44 15.275 -21.983 -23.368 1.00 55.24 O ATOM 0 H TYR A 44 12.498 -16.520 -20.358 1.00 62.34 H new ATOM 0 HA TYR A 44 13.719 -17.345 -17.817 1.00 53.03 H new ATOM 0 HB2 TYR A 44 13.043 -19.421 -18.292 1.00 54.51 H new ATOM 0 HB3 TYR A 44 11.997 -18.631 -19.455 1.00 54.51 H new ATOM 0 HD1 TYR A 44 15.052 -20.673 -19.056 1.00 50.31 H new ATOM 0 HD2 TYR A 44 12.381 -18.874 -21.849 1.00 65.33 H new ATOM 0 HE1 TYR A 44 16.011 -22.040 -20.853 1.00 13.53 H new ATOM 0 HE2 TYR A 44 13.339 -20.246 -23.642 1.00 71.33 H new ATOM 0 HH TYR A 44 14.821 -21.776 -24.211 1.00 55.24 H new ATOM 742 N GLU A 45 15.620 -16.442 -20.101 1.00 25.24 N ATOM 743 CA GLU A 45 17.034 -16.269 -20.488 1.00 63.43 C ATOM 744 C GLU A 45 17.767 -15.287 -19.558 1.00 42.12 C ATOM 745 O GLU A 45 18.851 -14.800 -19.889 1.00 74.14 O ATOM 746 CB GLU A 45 17.154 -15.794 -21.947 1.00 63.32 C ATOM 747 CG GLU A 45 16.951 -16.899 -22.979 1.00 54.32 C ATOM 748 CD GLU A 45 17.943 -18.041 -22.815 1.00 1.43 C ATOM 749 OE1 GLU A 45 19.142 -17.835 -23.080 1.00 41.15 O ATOM 750 OE2 GLU A 45 17.526 -19.151 -22.424 1.00 42.54 O ATOM 0 H GLU A 45 14.992 -15.733 -20.479 1.00 25.24 H new ATOM 0 HA GLU A 45 17.509 -17.246 -20.392 1.00 63.43 H new ATOM 0 HB2 GLU A 45 16.421 -15.007 -22.123 1.00 63.32 H new ATOM 0 HB3 GLU A 45 18.139 -15.350 -22.094 1.00 63.32 H new ATOM 0 HG2 GLU A 45 15.937 -17.289 -22.894 1.00 54.32 H new ATOM 0 HG3 GLU A 45 17.048 -16.479 -23.980 1.00 54.32 H new ATOM 757 N ASP A 46 17.166 -15.002 -18.403 1.00 11.34 N ATOM 758 CA ASP A 46 17.800 -14.180 -17.362 1.00 23.30 C ATOM 759 C ASP A 46 17.999 -12.717 -17.799 1.00 12.13 C ATOM 760 O ASP A 46 19.032 -12.358 -18.371 1.00 33.42 O ATOM 761 CB ASP A 46 19.144 -14.805 -16.932 1.00 41.11 C ATOM 762 CG ASP A 46 19.952 -13.916 -15.993 1.00 1.52 C ATOM 763 OD1 ASP A 46 19.544 -13.732 -14.831 1.00 73.54 O ATOM 764 OD2 ASP A 46 21.020 -13.412 -16.409 1.00 14.24 O ATOM 0 H ASP A 46 16.231 -15.330 -18.159 1.00 11.34 H new ATOM 0 HA ASP A 46 17.120 -14.163 -16.510 1.00 23.30 H new ATOM 0 HB2 ASP A 46 18.952 -15.759 -16.441 1.00 41.11 H new ATOM 0 HB3 ASP A 46 19.738 -15.017 -17.821 1.00 41.11 H new ATOM 769 N PHE A 47 16.992 -11.879 -17.558 1.00 23.11 N ATOM 770 CA PHE A 47 17.165 -10.428 -17.661 1.00 51.13 C ATOM 771 C PHE A 47 17.338 -9.825 -16.261 1.00 71.21 C ATOM 772 O PHE A 47 18.378 -9.231 -15.959 1.00 11.02 O ATOM 773 CB PHE A 47 15.987 -9.773 -18.400 1.00 32.23 C ATOM 774 CG PHE A 47 16.040 -9.914 -19.906 1.00 64.43 C ATOM 775 CD1 PHE A 47 16.514 -11.076 -20.501 1.00 34.55 C ATOM 776 CD2 PHE A 47 15.620 -8.874 -20.727 1.00 20.22 C ATOM 777 CE1 PHE A 47 16.568 -11.198 -21.876 1.00 75.34 C ATOM 778 CE2 PHE A 47 15.673 -8.994 -22.103 1.00 71.32 C ATOM 779 CZ PHE A 47 16.147 -10.156 -22.677 1.00 34.52 C ATOM 0 H PHE A 47 16.053 -12.176 -17.292 1.00 23.11 H new ATOM 0 HA PHE A 47 18.063 -10.229 -18.245 1.00 51.13 H new ATOM 0 HB2 PHE A 47 15.057 -10.212 -18.038 1.00 32.23 H new ATOM 0 HB3 PHE A 47 15.959 -8.713 -18.147 1.00 32.23 H new ATOM 0 HD1 PHE A 47 16.845 -11.895 -19.880 1.00 34.55 H new ATOM 0 HD2 PHE A 47 15.248 -7.962 -20.285 1.00 20.22 H new ATOM 0 HE1 PHE A 47 16.939 -12.108 -22.324 1.00 75.34 H new ATOM 0 HE2 PHE A 47 15.343 -8.178 -22.729 1.00 71.32 H new ATOM 0 HZ PHE A 47 16.188 -10.250 -23.752 1.00 34.52 H new ATOM 789 N GLY A 48 16.334 -9.994 -15.395 1.00 10.15 N ATOM 790 CA GLY A 48 16.469 -9.536 -14.015 1.00 73.54 C ATOM 791 C GLY A 48 15.240 -9.788 -13.140 1.00 52.01 C ATOM 792 O GLY A 48 14.801 -8.893 -12.409 1.00 34.04 O ATOM 0 H GLY A 48 15.441 -10.434 -15.620 1.00 10.15 H new ATOM 0 HA2 GLY A 48 17.329 -10.031 -13.564 1.00 73.54 H new ATOM 0 HA3 GLY A 48 16.683 -8.467 -14.019 1.00 73.54 H new ATOM 1115 N PRO A 71 0.612 -20.854 -3.931 1.00 42.35 N ATOM 1116 CA PRO A 71 -0.529 -21.669 -4.407 1.00 1.42 C ATOM 1117 C PRO A 71 -1.775 -21.621 -3.495 1.00 72.53 C ATOM 1118 O PRO A 71 -2.870 -22.013 -3.909 1.00 10.53 O ATOM 1119 CB PRO A 71 0.061 -23.081 -4.431 1.00 35.21 C ATOM 1120 CG PRO A 71 1.504 -22.873 -4.739 1.00 42.43 C ATOM 1121 CD PRO A 71 1.890 -21.598 -4.037 1.00 21.30 C ATOM 0 HA PRO A 71 -0.902 -21.305 -5.364 1.00 1.42 H new ATOM 0 HB2 PRO A 71 -0.073 -23.584 -3.473 1.00 35.21 H new ATOM 0 HB3 PRO A 71 -0.422 -23.701 -5.187 1.00 35.21 H new ATOM 0 HG2 PRO A 71 2.105 -23.712 -4.386 1.00 42.43 H new ATOM 0 HG3 PRO A 71 1.668 -22.793 -5.814 1.00 42.43 H new ATOM 0 HD2 PRO A 71 2.321 -21.796 -3.055 1.00 21.30 H new ATOM 0 HD3 PRO A 71 2.633 -21.038 -4.604 1.00 21.30 H new ATOM 1129 N LYS A 72 -1.602 -21.170 -2.250 1.00 42.31 N ATOM 1130 CA LYS A 72 -2.728 -20.951 -1.334 1.00 11.43 C ATOM 1131 C LYS A 72 -3.793 -20.042 -1.972 1.00 54.20 C ATOM 1132 O LYS A 72 -4.988 -20.340 -1.937 1.00 64.35 O ATOM 1133 CB LYS A 72 -2.231 -20.316 -0.022 1.00 42.05 C ATOM 1134 CG LYS A 72 -3.345 -19.966 0.965 1.00 11.13 C ATOM 1135 CD LYS A 72 -4.057 -21.209 1.497 1.00 54.32 C ATOM 1136 CE LYS A 72 -3.151 -22.045 2.393 1.00 54.01 C ATOM 1137 NZ LYS A 72 -2.734 -21.301 3.614 1.00 32.45 N ATOM 0 H LYS A 72 -0.690 -20.948 -1.851 1.00 42.31 H new ATOM 0 HA LYS A 72 -3.179 -21.920 -1.122 1.00 11.43 H new ATOM 0 HB2 LYS A 72 -1.536 -21.003 0.461 1.00 42.05 H new ATOM 0 HB3 LYS A 72 -1.672 -19.410 -0.258 1.00 42.05 H new ATOM 0 HG2 LYS A 72 -2.925 -19.405 1.800 1.00 11.13 H new ATOM 0 HG3 LYS A 72 -4.070 -19.315 0.476 1.00 11.13 H new ATOM 0 HD2 LYS A 72 -4.943 -20.908 2.056 1.00 54.32 H new ATOM 0 HD3 LYS A 72 -4.400 -21.817 0.660 1.00 54.32 H new ATOM 0 HE2 LYS A 72 -3.671 -22.957 2.684 1.00 54.01 H new ATOM 0 HE3 LYS A 72 -2.266 -22.348 1.833 1.00 54.01 H new ATOM 0 HZ1 LYS A 72 -2.356 -21.969 4.315 1.00 32.45 H new ATOM 0 HZ2 LYS A 72 -1.999 -20.608 3.365 1.00 32.45 H new ATOM 0 HZ3 LYS A 72 -3.555 -20.805 4.016 1.00 32.45 H new ATOM 1151 N LEU A 73 -3.344 -18.940 -2.565 1.00 62.12 N ATOM 1152 CA LEU A 73 -4.247 -17.953 -3.172 1.00 73.31 C ATOM 1153 C LEU A 73 -4.113 -17.955 -4.706 1.00 1.11 C ATOM 1154 O LEU A 73 -5.111 -17.940 -5.429 1.00 73.35 O ATOM 1155 CB LEU A 73 -3.934 -16.556 -2.588 1.00 61.44 C ATOM 1156 CG LEU A 73 -4.989 -15.447 -2.819 1.00 4.23 C ATOM 1157 CD1 LEU A 73 -5.015 -14.983 -4.274 1.00 71.23 C ATOM 1158 CD2 LEU A 73 -6.372 -15.923 -2.380 1.00 14.13 C ATOM 0 H LEU A 73 -2.355 -18.702 -2.641 1.00 62.12 H new ATOM 0 HA LEU A 73 -5.279 -18.216 -2.938 1.00 73.31 H new ATOM 0 HB2 LEU A 73 -3.785 -16.663 -1.514 1.00 61.44 H new ATOM 0 HB3 LEU A 73 -2.988 -16.217 -3.009 1.00 61.44 H new ATOM 0 HG LEU A 73 -4.704 -14.590 -2.209 1.00 4.23 H new ATOM 0 HD11 LEU A 73 -5.768 -14.205 -4.394 1.00 71.23 H new ATOM 0 HD12 LEU A 73 -4.037 -14.587 -4.547 1.00 71.23 H new ATOM 0 HD13 LEU A 73 -5.258 -15.826 -4.921 1.00 71.23 H new ATOM 0 HD21 LEU A 73 -7.101 -15.130 -2.550 1.00 14.13 H new ATOM 0 HD22 LEU A 73 -6.653 -16.804 -2.957 1.00 14.13 H new ATOM 0 HD23 LEU A 73 -6.350 -16.175 -1.320 1.00 14.13 H new ATOM 1170 N LEU A 74 -2.872 -17.975 -5.188 1.00 44.31 N ATOM 1171 CA LEU A 74 -2.579 -17.922 -6.629 1.00 23.11 C ATOM 1172 C LEU A 74 -3.295 -19.060 -7.399 1.00 73.13 C ATOM 1173 O LEU A 74 -3.081 -20.245 -7.117 1.00 4.22 O ATOM 1174 CB LEU A 74 -1.051 -17.995 -6.837 1.00 14.31 C ATOM 1175 CG LEU A 74 -0.504 -17.359 -8.132 1.00 50.15 C ATOM 1176 CD1 LEU A 74 1.016 -17.241 -8.066 1.00 23.33 C ATOM 1177 CD2 LEU A 74 -0.915 -18.159 -9.369 1.00 25.43 C ATOM 0 H LEU A 74 -2.041 -18.028 -4.599 1.00 44.31 H new ATOM 0 HA LEU A 74 -2.957 -16.981 -7.029 1.00 23.11 H new ATOM 0 HB2 LEU A 74 -0.567 -17.512 -5.988 1.00 14.31 H new ATOM 0 HB3 LEU A 74 -0.753 -19.043 -6.819 1.00 14.31 H new ATOM 0 HG LEU A 74 -0.937 -16.362 -8.218 1.00 50.15 H new ATOM 0 HD11 LEU A 74 1.386 -16.791 -8.987 1.00 23.33 H new ATOM 0 HD12 LEU A 74 1.296 -16.616 -7.218 1.00 23.33 H new ATOM 0 HD13 LEU A 74 1.453 -18.232 -7.946 1.00 23.33 H new ATOM 0 HD21 LEU A 74 -0.512 -17.681 -10.262 1.00 25.43 H new ATOM 0 HD22 LEU A 74 -0.524 -19.174 -9.293 1.00 25.43 H new ATOM 0 HD23 LEU A 74 -2.002 -18.193 -9.435 1.00 25.43 H new ATOM 1189 N PRO A 75 -4.167 -18.708 -8.377 1.00 32.02 N ATOM 1190 CA PRO A 75 -4.887 -19.696 -9.210 1.00 63.25 C ATOM 1191 C PRO A 75 -3.946 -20.601 -10.029 1.00 42.24 C ATOM 1192 O PRO A 75 -2.954 -20.144 -10.600 1.00 33.31 O ATOM 1193 CB PRO A 75 -5.751 -18.826 -10.144 1.00 0.44 C ATOM 1194 CG PRO A 75 -5.845 -17.502 -9.460 1.00 42.43 C ATOM 1195 CD PRO A 75 -4.540 -17.324 -8.733 1.00 53.24 C ATOM 0 HA PRO A 75 -5.462 -20.387 -8.594 1.00 63.25 H new ATOM 0 HB2 PRO A 75 -5.294 -18.730 -11.129 1.00 0.44 H new ATOM 0 HB3 PRO A 75 -6.738 -19.265 -10.292 1.00 0.44 H new ATOM 0 HG2 PRO A 75 -6.004 -16.700 -10.181 1.00 42.43 H new ATOM 0 HG3 PRO A 75 -6.686 -17.479 -8.766 1.00 42.43 H new ATOM 0 HD2 PRO A 75 -3.787 -16.853 -9.365 1.00 53.24 H new ATOM 0 HD3 PRO A 75 -4.653 -16.696 -7.849 1.00 53.24 H new ATOM 1203 N TYR A 76 -4.274 -21.890 -10.099 1.00 63.22 N ATOM 1204 CA TYR A 76 -3.417 -22.864 -10.778 1.00 73.33 C ATOM 1205 C TYR A 76 -3.626 -22.900 -12.300 1.00 14.03 C ATOM 1206 O TYR A 76 -4.566 -23.516 -12.805 1.00 21.53 O ATOM 1207 CB TYR A 76 -3.621 -24.270 -10.190 1.00 43.44 C ATOM 1208 CG TYR A 76 -2.615 -24.641 -9.120 1.00 23.12 C ATOM 1209 CD1 TYR A 76 -1.378 -25.174 -9.466 1.00 55.01 C ATOM 1210 CD2 TYR A 76 -2.900 -24.468 -7.773 1.00 22.45 C ATOM 1211 CE1 TYR A 76 -0.457 -25.526 -8.501 1.00 23.44 C ATOM 1212 CE2 TYR A 76 -1.984 -24.820 -6.801 1.00 64.33 C ATOM 1213 CZ TYR A 76 -0.762 -25.347 -7.171 1.00 42.21 C ATOM 1214 OH TYR A 76 0.153 -25.705 -6.205 1.00 24.25 O ATOM 0 H TYR A 76 -5.124 -22.285 -9.696 1.00 63.22 H new ATOM 0 HA TYR A 76 -2.392 -22.537 -10.605 1.00 73.33 H new ATOM 0 HB2 TYR A 76 -4.624 -24.335 -9.769 1.00 43.44 H new ATOM 0 HB3 TYR A 76 -3.565 -25.002 -10.996 1.00 43.44 H new ATOM 0 HD1 TYR A 76 -1.134 -25.315 -10.509 1.00 55.01 H new ATOM 0 HD2 TYR A 76 -3.853 -24.052 -7.480 1.00 22.45 H new ATOM 0 HE1 TYR A 76 0.498 -25.940 -8.788 1.00 23.44 H new ATOM 0 HE2 TYR A 76 -2.222 -24.684 -5.756 1.00 64.33 H new ATOM 0 HH TYR A 76 1.061 -25.606 -6.561 1.00 24.25 H new ATOM 1224 N ASP A 77 -2.751 -22.203 -13.011 1.00 11.12 N ATOM 1225 CA ASP A 77 -2.552 -22.407 -14.448 1.00 35.33 C ATOM 1226 C ASP A 77 -1.102 -22.833 -14.694 1.00 64.23 C ATOM 1227 O ASP A 77 -0.182 -22.229 -14.150 1.00 3.54 O ATOM 1228 CB ASP A 77 -2.873 -21.135 -15.247 1.00 62.41 C ATOM 1229 CG ASP A 77 -4.347 -21.011 -15.580 1.00 33.32 C ATOM 1230 OD1 ASP A 77 -4.799 -21.693 -16.528 1.00 42.32 O ATOM 1231 OD2 ASP A 77 -5.051 -20.226 -14.918 1.00 3.42 O ATOM 0 H ASP A 77 -2.156 -21.478 -12.611 1.00 11.12 H new ATOM 0 HA ASP A 77 -3.234 -23.187 -14.788 1.00 35.33 H new ATOM 0 HB2 ASP A 77 -2.559 -20.262 -14.675 1.00 62.41 H new ATOM 0 HB3 ASP A 77 -2.295 -21.135 -16.171 1.00 62.41 H new ATOM 1236 N LYS A 78 -0.901 -23.865 -15.505 1.00 40.15 N ATOM 1237 CA LYS A 78 0.443 -24.417 -15.743 1.00 32.34 C ATOM 1238 C LYS A 78 1.471 -23.312 -16.062 1.00 55.52 C ATOM 1239 O LYS A 78 2.465 -23.154 -15.355 1.00 45.35 O ATOM 1240 CB LYS A 78 0.394 -25.437 -16.887 1.00 0.41 C ATOM 1241 CG LYS A 78 -0.620 -26.560 -16.671 1.00 71.51 C ATOM 1242 CD LYS A 78 -0.673 -27.512 -17.864 1.00 20.12 C ATOM 1243 CE LYS A 78 -1.768 -28.561 -17.705 1.00 41.40 C ATOM 1244 NZ LYS A 78 -1.538 -29.436 -16.525 1.00 30.32 N ATOM 0 H LYS A 78 -1.646 -24.342 -16.012 1.00 40.15 H new ATOM 0 HA LYS A 78 0.766 -24.911 -14.826 1.00 32.34 H new ATOM 0 HB2 LYS A 78 0.154 -24.917 -17.814 1.00 0.41 H new ATOM 0 HB3 LYS A 78 1.384 -25.874 -17.014 1.00 0.41 H new ATOM 0 HG2 LYS A 78 -0.359 -27.118 -15.772 1.00 71.51 H new ATOM 0 HG3 LYS A 78 -1.608 -26.131 -16.504 1.00 71.51 H new ATOM 0 HD2 LYS A 78 -0.846 -26.942 -18.776 1.00 20.12 H new ATOM 0 HD3 LYS A 78 0.291 -28.008 -17.976 1.00 20.12 H new ATOM 0 HE2 LYS A 78 -2.733 -28.064 -17.605 1.00 41.40 H new ATOM 0 HE3 LYS A 78 -1.816 -29.173 -18.606 1.00 41.40 H new ATOM 0 HZ1 LYS A 78 -2.248 -30.196 -16.513 1.00 30.32 H new ATOM 0 HZ2 LYS A 78 -0.586 -29.852 -16.581 1.00 30.32 H new ATOM 0 HZ3 LYS A 78 -1.619 -28.873 -15.654 1.00 30.32 H new ATOM 1258 N ARG A 79 1.204 -22.541 -17.113 1.00 22.44 N ATOM 1259 CA ARG A 79 2.095 -21.451 -17.535 1.00 2.44 C ATOM 1260 C ARG A 79 2.099 -20.280 -16.531 1.00 15.11 C ATOM 1261 O ARG A 79 3.159 -19.779 -16.148 1.00 31.33 O ATOM 1262 CB ARG A 79 1.669 -20.938 -18.918 1.00 31.25 C ATOM 1263 CG ARG A 79 1.840 -21.958 -20.041 1.00 72.52 C ATOM 1264 CD ARG A 79 1.266 -21.445 -21.359 1.00 33.04 C ATOM 1265 NE ARG A 79 1.580 -22.324 -22.484 1.00 11.03 N ATOM 1266 CZ ARG A 79 0.732 -23.144 -23.040 1.00 40.23 C ATOM 1267 NH1 ARG A 79 -0.472 -23.273 -22.577 1.00 32.31 N ATOM 1268 NH2 ARG A 79 1.098 -23.839 -24.064 1.00 1.55 N ATOM 0 H ARG A 79 0.373 -22.648 -17.695 1.00 22.44 H new ATOM 0 HA ARG A 79 3.107 -21.855 -17.578 1.00 2.44 H new ATOM 0 HB2 ARG A 79 0.623 -20.633 -18.874 1.00 31.25 H new ATOM 0 HB3 ARG A 79 2.250 -20.048 -19.158 1.00 31.25 H new ATOM 0 HG2 ARG A 79 2.898 -22.185 -20.169 1.00 72.52 H new ATOM 0 HG3 ARG A 79 1.345 -22.889 -19.766 1.00 72.52 H new ATOM 0 HD2 ARG A 79 0.184 -21.349 -21.268 1.00 33.04 H new ATOM 0 HD3 ARG A 79 1.659 -20.448 -21.560 1.00 33.04 H new ATOM 0 HE ARG A 79 2.528 -22.294 -22.860 1.00 11.03 H new ATOM 0 HH11 ARG A 79 -0.768 -22.729 -21.767 1.00 32.31 H new ATOM 0 HH12 ARG A 79 -1.124 -23.919 -23.023 1.00 32.31 H new ATOM 0 HH21 ARG A 79 2.044 -23.745 -24.433 1.00 1.55 H new ATOM 0 HH22 ARG A 79 0.441 -24.483 -24.505 1.00 1.55 H new ATOM 1282 N LEU A 80 0.909 -19.840 -16.120 1.00 53.41 N ATOM 1283 CA LEU A 80 0.776 -18.681 -15.223 1.00 74.30 C ATOM 1284 C LEU A 80 1.472 -18.927 -13.873 1.00 64.20 C ATOM 1285 O LEU A 80 2.332 -18.145 -13.454 1.00 33.14 O ATOM 1286 CB LEU A 80 -0.709 -18.352 -15.002 1.00 63.53 C ATOM 1287 CG LEU A 80 -0.994 -17.096 -14.156 1.00 31.31 C ATOM 1288 CD1 LEU A 80 -0.440 -15.845 -14.836 1.00 12.22 C ATOM 1289 CD2 LEU A 80 -2.495 -16.952 -13.896 1.00 63.05 C ATOM 0 H LEU A 80 0.022 -20.265 -16.391 1.00 53.41 H new ATOM 0 HA LEU A 80 1.266 -17.832 -15.700 1.00 74.30 H new ATOM 0 HB2 LEU A 80 -1.184 -18.228 -15.975 1.00 63.53 H new ATOM 0 HB3 LEU A 80 -1.185 -19.207 -14.522 1.00 63.53 H new ATOM 0 HG LEU A 80 -0.489 -17.210 -13.197 1.00 31.31 H new ATOM 0 HD11 LEU A 80 -0.653 -14.971 -14.220 1.00 12.22 H new ATOM 0 HD12 LEU A 80 0.638 -15.946 -14.961 1.00 12.22 H new ATOM 0 HD13 LEU A 80 -0.909 -15.724 -15.812 1.00 12.22 H new ATOM 0 HD21 LEU A 80 -2.677 -16.060 -13.297 1.00 63.05 H new ATOM 0 HD22 LEU A 80 -3.022 -16.865 -14.846 1.00 63.05 H new ATOM 0 HD23 LEU A 80 -2.857 -17.829 -13.359 1.00 63.05 H new ATOM 1301 N ALA A 81 1.099 -20.017 -13.203 1.00 44.32 N ATOM 1302 CA ALA A 81 1.707 -20.392 -11.922 1.00 10.55 C ATOM 1303 C ALA A 81 3.223 -20.588 -12.066 1.00 1.55 C ATOM 1304 O ALA A 81 3.993 -20.097 -11.248 1.00 61.41 O ATOM 1305 CB ALA A 81 1.054 -21.657 -11.371 1.00 72.35 C ATOM 0 H ALA A 81 0.376 -20.660 -13.526 1.00 44.32 H new ATOM 0 HA ALA A 81 1.538 -19.578 -11.217 1.00 10.55 H new ATOM 0 HB1 ALA A 81 1.517 -21.921 -10.420 1.00 72.35 H new ATOM 0 HB2 ALA A 81 -0.011 -21.480 -11.219 1.00 72.35 H new ATOM 0 HB3 ALA A 81 1.189 -22.474 -12.080 1.00 72.35 H new ATOM 1311 N TRP A 82 3.634 -21.297 -13.123 1.00 33.13 N ATOM 1312 CA TRP A 82 5.058 -21.501 -13.440 1.00 73.43 C ATOM 1313 C TRP A 82 5.821 -20.165 -13.441 1.00 1.43 C ATOM 1314 O TRP A 82 6.873 -20.028 -12.814 1.00 64.24 O ATOM 1315 CB TRP A 82 5.168 -22.172 -14.823 1.00 13.14 C ATOM 1316 CG TRP A 82 6.561 -22.533 -15.256 1.00 75.22 C ATOM 1317 CD1 TRP A 82 7.574 -21.678 -15.576 1.00 53.50 C ATOM 1318 CD2 TRP A 82 7.076 -23.854 -15.457 1.00 14.33 C ATOM 1319 NE1 TRP A 82 8.688 -22.385 -15.944 1.00 52.13 N ATOM 1320 CE2 TRP A 82 8.409 -23.721 -15.880 1.00 42.40 C ATOM 1321 CE3 TRP A 82 6.538 -25.135 -15.312 1.00 32.44 C ATOM 1322 CZ2 TRP A 82 9.216 -24.819 -16.162 1.00 71.42 C ATOM 1323 CZ3 TRP A 82 7.339 -26.228 -15.591 1.00 71.44 C ATOM 1324 CH2 TRP A 82 8.666 -26.063 -16.013 1.00 74.34 C ATOM 0 H TRP A 82 2.996 -21.744 -13.781 1.00 33.13 H new ATOM 0 HA TRP A 82 5.504 -22.139 -12.677 1.00 73.43 H new ATOM 0 HB2 TRP A 82 4.561 -23.078 -14.818 1.00 13.14 H new ATOM 0 HB3 TRP A 82 4.736 -21.503 -15.568 1.00 13.14 H new ATOM 0 HD1 TRP A 82 7.508 -20.601 -15.544 1.00 53.50 H new ATOM 0 HE1 TRP A 82 9.582 -21.979 -16.221 1.00 52.13 H new ATOM 0 HE3 TRP A 82 5.516 -25.270 -14.988 1.00 32.44 H new ATOM 0 HZ2 TRP A 82 10.238 -24.694 -16.486 1.00 71.42 H new ATOM 0 HZ3 TRP A 82 6.936 -27.224 -15.482 1.00 71.44 H new ATOM 0 HH2 TRP A 82 9.266 -26.936 -16.225 1.00 74.34 H new ATOM 1335 N HIS A 83 5.255 -19.180 -14.130 1.00 31.01 N ATOM 1336 CA HIS A 83 5.893 -17.873 -14.310 1.00 4.31 C ATOM 1337 C HIS A 83 6.079 -17.131 -12.970 1.00 25.22 C ATOM 1338 O HIS A 83 7.147 -16.589 -12.680 1.00 74.25 O ATOM 1339 CB HIS A 83 5.042 -17.040 -15.271 1.00 3.41 C ATOM 1340 CG HIS A 83 5.766 -15.904 -15.919 1.00 33.30 C ATOM 1341 ND1 HIS A 83 5.233 -14.637 -16.018 1.00 34.12 N ATOM 1342 CD2 HIS A 83 6.957 -15.860 -16.564 1.00 4.13 C ATOM 1343 CE1 HIS A 83 6.056 -13.868 -16.696 1.00 33.44 C ATOM 1344 NE2 HIS A 83 7.110 -14.580 -17.039 1.00 54.54 N ATOM 0 H HIS A 83 4.343 -19.261 -14.580 1.00 31.01 H new ATOM 0 HA HIS A 83 6.889 -18.026 -14.725 1.00 4.31 H new ATOM 0 HB2 HIS A 83 4.650 -17.695 -16.049 1.00 3.41 H new ATOM 0 HB3 HIS A 83 4.185 -16.644 -14.726 1.00 3.41 H new ATOM 0 HD2 HIS A 83 7.654 -16.677 -16.682 1.00 4.13 H new ATOM 0 HE1 HIS A 83 5.895 -12.827 -16.932 1.00 33.44 H new ATOM 0 HE2 HIS A 83 7.910 -14.237 -17.571 1.00 54.54 H new ATOM 1353 N PHE A 84 5.028 -17.097 -12.158 1.00 53.12 N ATOM 1354 CA PHE A 84 5.103 -16.470 -10.832 1.00 24.35 C ATOM 1355 C PHE A 84 5.907 -17.342 -9.852 1.00 45.41 C ATOM 1356 O PHE A 84 6.461 -16.848 -8.864 1.00 64.35 O ATOM 1357 CB PHE A 84 3.691 -16.203 -10.294 1.00 20.31 C ATOM 1358 CG PHE A 84 2.993 -15.041 -10.967 1.00 32.51 C ATOM 1359 CD1 PHE A 84 2.732 -15.057 -12.334 1.00 32.53 C ATOM 1360 CD2 PHE A 84 2.591 -13.934 -10.230 1.00 44.31 C ATOM 1361 CE1 PHE A 84 2.092 -13.996 -12.944 1.00 34.50 C ATOM 1362 CE2 PHE A 84 1.950 -12.871 -10.839 1.00 21.12 C ATOM 1363 CZ PHE A 84 1.699 -12.903 -12.196 1.00 4.44 C ATOM 0 H PHE A 84 4.116 -17.492 -12.388 1.00 53.12 H new ATOM 0 HA PHE A 84 5.624 -15.518 -10.930 1.00 24.35 H new ATOM 0 HB2 PHE A 84 3.087 -17.101 -10.422 1.00 20.31 H new ATOM 0 HB3 PHE A 84 3.751 -16.009 -9.223 1.00 20.31 H new ATOM 0 HD1 PHE A 84 3.034 -15.909 -12.925 1.00 32.53 H new ATOM 0 HD2 PHE A 84 2.782 -13.903 -9.167 1.00 44.31 H new ATOM 0 HE1 PHE A 84 1.899 -14.021 -14.006 1.00 34.50 H new ATOM 0 HE2 PHE A 84 1.646 -12.016 -10.253 1.00 21.12 H new ATOM 0 HZ PHE A 84 1.196 -12.075 -12.672 1.00 4.44 H new ATOM 1373 N LYS A 85 5.973 -18.637 -10.146 1.00 61.10 N ATOM 1374 CA LYS A 85 6.768 -19.581 -9.360 1.00 54.01 C ATOM 1375 C LYS A 85 8.262 -19.251 -9.504 1.00 23.34 C ATOM 1376 O LYS A 85 8.941 -18.987 -8.517 1.00 1.25 O ATOM 1377 CB LYS A 85 6.470 -21.023 -9.829 1.00 31.33 C ATOM 1378 CG LYS A 85 6.879 -22.143 -8.863 1.00 50.41 C ATOM 1379 CD LYS A 85 8.389 -22.367 -8.813 1.00 10.23 C ATOM 1380 CE LYS A 85 8.747 -23.638 -8.046 1.00 11.53 C ATOM 1381 NZ LYS A 85 8.174 -23.654 -6.672 1.00 53.11 N ATOM 0 H LYS A 85 5.480 -19.062 -10.931 1.00 61.10 H new ATOM 0 HA LYS A 85 6.502 -19.498 -8.306 1.00 54.01 H new ATOM 0 HB2 LYS A 85 5.400 -21.108 -10.020 1.00 31.33 H new ATOM 0 HB3 LYS A 85 6.978 -21.187 -10.780 1.00 31.33 H new ATOM 0 HG2 LYS A 85 6.520 -21.901 -7.863 1.00 50.41 H new ATOM 0 HG3 LYS A 85 6.390 -23.070 -9.162 1.00 50.41 H new ATOM 0 HD2 LYS A 85 8.781 -22.432 -9.828 1.00 10.23 H new ATOM 0 HD3 LYS A 85 8.869 -21.510 -8.341 1.00 10.23 H new ATOM 0 HE2 LYS A 85 8.385 -24.506 -8.597 1.00 11.53 H new ATOM 0 HE3 LYS A 85 9.832 -23.729 -7.985 1.00 11.53 H new ATOM 0 HZ1 LYS A 85 8.617 -24.416 -6.120 1.00 53.11 H new ATOM 0 HZ2 LYS A 85 8.356 -22.741 -6.209 1.00 53.11 H new ATOM 0 HZ3 LYS A 85 7.148 -23.817 -6.726 1.00 53.11 H new ATOM 1395 N GLU A 86 8.757 -19.249 -10.744 1.00 20.25 N ATOM 1396 CA GLU A 86 10.169 -18.949 -11.022 1.00 12.45 C ATOM 1397 C GLU A 86 10.572 -17.563 -10.489 1.00 62.30 C ATOM 1398 O GLU A 86 11.667 -17.392 -9.950 1.00 3.23 O ATOM 1399 CB GLU A 86 10.440 -19.031 -12.532 1.00 34.10 C ATOM 1400 CG GLU A 86 9.679 -17.997 -13.354 1.00 34.33 C ATOM 1401 CD GLU A 86 9.898 -18.139 -14.852 1.00 15.42 C ATOM 1402 OE1 GLU A 86 11.066 -18.072 -15.292 1.00 32.20 O ATOM 1403 OE2 GLU A 86 8.900 -18.309 -15.590 1.00 34.35 O ATOM 0 H GLU A 86 8.202 -19.452 -11.575 1.00 20.25 H new ATOM 0 HA GLU A 86 10.773 -19.694 -10.504 1.00 12.45 H new ATOM 0 HB2 GLU A 86 11.508 -18.905 -12.707 1.00 34.10 H new ATOM 0 HB3 GLU A 86 10.175 -20.028 -12.885 1.00 34.10 H new ATOM 0 HG2 GLU A 86 8.614 -18.085 -13.140 1.00 34.33 H new ATOM 0 HG3 GLU A 86 9.985 -16.998 -13.042 1.00 34.33 H new ATOM 1410 N PHE A 87 9.681 -16.578 -10.642 1.00 52.04 N ATOM 1411 CA PHE A 87 9.945 -15.212 -10.169 1.00 22.33 C ATOM 1412 C PHE A 87 10.188 -15.151 -8.645 1.00 0.52 C ATOM 1413 O PHE A 87 11.260 -14.738 -8.196 1.00 31.11 O ATOM 1414 CB PHE A 87 8.786 -14.271 -10.553 1.00 64.43 C ATOM 1415 CG PHE A 87 8.702 -13.934 -12.026 1.00 41.31 C ATOM 1416 CD1 PHE A 87 9.590 -14.476 -12.946 1.00 33.41 C ATOM 1417 CD2 PHE A 87 7.736 -13.053 -12.487 1.00 41.23 C ATOM 1418 CE1 PHE A 87 9.514 -14.147 -14.284 1.00 44.34 C ATOM 1419 CE2 PHE A 87 7.660 -12.721 -13.822 1.00 40.33 C ATOM 1420 CZ PHE A 87 8.551 -13.269 -14.721 1.00 54.34 C ATOM 0 H PHE A 87 8.772 -16.699 -11.089 1.00 52.04 H new ATOM 0 HA PHE A 87 10.860 -14.881 -10.660 1.00 22.33 H new ATOM 0 HB2 PHE A 87 7.847 -14.731 -10.246 1.00 64.43 H new ATOM 0 HB3 PHE A 87 8.887 -13.344 -9.988 1.00 64.43 H new ATOM 0 HD1 PHE A 87 10.351 -15.165 -12.610 1.00 33.41 H new ATOM 0 HD2 PHE A 87 7.033 -12.621 -11.790 1.00 41.23 H new ATOM 0 HE1 PHE A 87 10.211 -14.579 -14.987 1.00 44.34 H new ATOM 0 HE2 PHE A 87 6.903 -12.032 -14.165 1.00 40.33 H new ATOM 0 HZ PHE A 87 8.492 -13.008 -15.767 1.00 54.34 H new ATOM 1430 N CYS A 88 9.185 -15.535 -7.855 1.00 72.22 N ATOM 1431 CA CYS A 88 9.277 -15.441 -6.384 1.00 23.41 C ATOM 1432 C CYS A 88 9.446 -16.813 -5.704 1.00 22.03 C ATOM 1433 O CYS A 88 10.319 -17.001 -4.859 1.00 4.40 O ATOM 1434 CB CYS A 88 8.032 -14.743 -5.825 1.00 42.21 C ATOM 1435 SG CYS A 88 8.071 -14.459 -4.037 1.00 50.12 S ATOM 0 H CYS A 88 8.302 -15.913 -8.199 1.00 72.22 H new ATOM 0 HA CYS A 88 10.171 -14.858 -6.162 1.00 23.41 H new ATOM 0 HB2 CYS A 88 7.910 -13.785 -6.330 1.00 42.21 H new ATOM 0 HB3 CYS A 88 7.155 -15.344 -6.066 1.00 42.21 H new ATOM 0 HG CYS A 88 6.976 -13.864 -3.668 1.00 50.12 H new ATOM 1441 N TYR A 89 8.623 -17.776 -6.102 1.00 33.22 N ATOM 1442 CA TYR A 89 8.509 -19.065 -5.398 1.00 34.15 C ATOM 1443 C TYR A 89 9.533 -20.087 -5.943 1.00 24.13 C ATOM 1444 O TYR A 89 9.267 -21.290 -5.999 1.00 24.54 O ATOM 1445 CB TYR A 89 7.067 -19.573 -5.587 1.00 2.21 C ATOM 1446 CG TYR A 89 6.560 -20.516 -4.511 1.00 14.43 C ATOM 1447 CD1 TYR A 89 6.437 -20.090 -3.192 1.00 43.44 C ATOM 1448 CD2 TYR A 89 6.180 -21.820 -4.816 1.00 31.10 C ATOM 1449 CE1 TYR A 89 5.954 -20.935 -2.211 1.00 32.54 C ATOM 1450 CE2 TYR A 89 5.691 -22.668 -3.840 1.00 21.41 C ATOM 1451 CZ TYR A 89 5.581 -22.223 -2.541 1.00 5.02 C ATOM 1452 OH TYR A 89 5.086 -23.066 -1.566 1.00 70.41 O ATOM 0 H TYR A 89 8.015 -17.694 -6.917 1.00 33.22 H new ATOM 0 HA TYR A 89 8.727 -18.936 -4.338 1.00 34.15 H new ATOM 0 HB2 TYR A 89 6.400 -18.712 -5.635 1.00 2.21 H new ATOM 0 HB3 TYR A 89 7.002 -20.080 -6.550 1.00 2.21 H new ATOM 0 HD1 TYR A 89 6.724 -19.082 -2.931 1.00 43.44 H new ATOM 0 HD2 TYR A 89 6.269 -22.175 -5.832 1.00 31.10 H new ATOM 0 HE1 TYR A 89 5.869 -20.590 -1.191 1.00 32.54 H new ATOM 0 HE2 TYR A 89 5.396 -23.675 -4.095 1.00 21.41 H new ATOM 0 HH TYR A 89 4.870 -23.935 -1.964 1.00 70.41 H new ATOM 1462 N LYS A 90 10.716 -19.589 -6.300 1.00 34.24 N ATOM 1463 CA LYS A 90 11.726 -20.364 -7.043 1.00 23.13 C ATOM 1464 C LYS A 90 12.156 -21.666 -6.337 1.00 55.43 C ATOM 1465 O LYS A 90 12.182 -21.755 -5.106 1.00 4.44 O ATOM 1466 CB LYS A 90 12.965 -19.483 -7.317 1.00 12.55 C ATOM 1467 CG LYS A 90 13.941 -19.321 -6.138 1.00 4.24 C ATOM 1468 CD LYS A 90 13.261 -18.836 -4.855 1.00 71.24 C ATOM 1469 CE LYS A 90 14.273 -18.521 -3.751 1.00 1.42 C ATOM 1470 NZ LYS A 90 15.312 -19.577 -3.605 1.00 31.44 N ATOM 0 H LYS A 90 11.008 -18.636 -6.085 1.00 34.24 H new ATOM 0 HA LYS A 90 11.254 -20.664 -7.979 1.00 23.13 H new ATOM 0 HB2 LYS A 90 13.510 -19.906 -8.161 1.00 12.55 H new ATOM 0 HB3 LYS A 90 12.624 -18.493 -7.622 1.00 12.55 H new ATOM 0 HG2 LYS A 90 14.429 -20.276 -5.944 1.00 4.24 H new ATOM 0 HG3 LYS A 90 14.723 -18.615 -6.416 1.00 4.24 H new ATOM 0 HD2 LYS A 90 12.672 -17.945 -5.072 1.00 71.24 H new ATOM 0 HD3 LYS A 90 12.566 -19.599 -4.503 1.00 71.24 H new ATOM 0 HE2 LYS A 90 14.757 -17.569 -3.968 1.00 1.42 H new ATOM 0 HE3 LYS A 90 13.746 -18.402 -2.804 1.00 1.42 H new ATOM 0 HZ1 LYS A 90 15.866 -19.402 -2.742 1.00 31.44 H new ATOM 0 HZ2 LYS A 90 14.854 -20.508 -3.539 1.00 31.44 H new ATOM 0 HZ3 LYS A 90 15.943 -19.560 -4.431 1.00 31.44 H new ATOM 1484 N THR A 91 12.495 -22.675 -7.138 1.00 21.02 N ATOM 1485 CA THR A 91 13.073 -23.923 -6.620 1.00 62.32 C ATOM 1486 C THR A 91 14.578 -23.740 -6.372 1.00 54.42 C ATOM 1487 O THR A 91 15.218 -22.924 -7.034 1.00 24.43 O ATOM 1488 CB THR A 91 12.865 -25.100 -7.612 1.00 4.11 C ATOM 1489 OG1 THR A 91 11.486 -25.188 -8.001 1.00 3.10 O ATOM 1490 CG2 THR A 91 13.303 -26.433 -7.005 1.00 2.24 C ATOM 0 H THR A 91 12.381 -22.656 -8.151 1.00 21.02 H new ATOM 0 HA THR A 91 12.564 -24.160 -5.686 1.00 62.32 H new ATOM 0 HB THR A 91 13.483 -24.899 -8.487 1.00 4.11 H new ATOM 0 HG1 THR A 91 11.370 -25.933 -8.627 1.00 3.10 H new ATOM 0 HG21 THR A 91 13.142 -27.232 -7.728 1.00 2.24 H new ATOM 0 HG22 THR A 91 14.361 -26.385 -6.746 1.00 2.24 H new ATOM 0 HG23 THR A 91 12.719 -26.633 -6.107 1.00 2.24 H new ATOM 1498 N SER A 92 15.139 -24.494 -5.424 1.00 24.25 N ATOM 1499 CA SER A 92 16.574 -24.391 -5.090 1.00 55.34 C ATOM 1500 C SER A 92 17.472 -24.468 -6.340 1.00 51.12 C ATOM 1501 O SER A 92 17.140 -25.145 -7.319 1.00 3.25 O ATOM 1502 CB SER A 92 16.984 -25.493 -4.103 1.00 2.31 C ATOM 1503 OG SER A 92 18.373 -25.432 -3.813 1.00 64.35 O ATOM 0 H SER A 92 14.629 -25.183 -4.871 1.00 24.25 H new ATOM 0 HA SER A 92 16.716 -23.413 -4.630 1.00 55.34 H new ATOM 0 HB2 SER A 92 16.412 -25.390 -3.181 1.00 2.31 H new ATOM 0 HB3 SER A 92 16.740 -26.469 -4.522 1.00 2.31 H new ATOM 0 HG SER A 92 18.607 -26.144 -3.181 1.00 64.35 H new ATOM 1509 N ALA A 93 18.610 -23.773 -6.295 1.00 25.14 N ATOM 1510 CA ALA A 93 19.537 -23.702 -7.433 1.00 15.43 C ATOM 1511 C ALA A 93 20.077 -25.083 -7.842 1.00 42.24 C ATOM 1512 O ALA A 93 20.993 -25.619 -7.217 1.00 52.53 O ATOM 1513 CB ALA A 93 20.690 -22.754 -7.111 1.00 11.03 C ATOM 0 H ALA A 93 18.916 -23.246 -5.477 1.00 25.14 H new ATOM 0 HA ALA A 93 18.975 -23.317 -8.284 1.00 15.43 H new ATOM 0 HB1 ALA A 93 21.371 -22.708 -7.960 1.00 11.03 H new ATOM 0 HB2 ALA A 93 20.296 -21.758 -6.908 1.00 11.03 H new ATOM 0 HB3 ALA A 93 21.226 -23.118 -6.235 1.00 11.03 H new