USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=25 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 44 TYR OH : rot 96:sc= 1.22 USER MOD Set 1.2: A 83 HIS : no HD1:sc= -0.12 K(o=1.1,f=-8.7!) USER MOD Set 2.1: A 20 MET CE :methyl -168:sc= -3.9! (180deg=-4.25!) USER MOD Set 2.2: A 34 THR OG1 : rot -75:sc= 0.925 USER MOD Set 3.1: A 10 TYR OH : rot -90:sc= 1.05 USER MOD Set 3.2: A 12 HIS : no HD1:sc= 0.678 K(o=1.7,f=-5.8!) USER MOD Set 4.1: A 8 LYS NZ :NH3+ -178:sc= 1.22 (180deg=0) USER MOD Set 4.2: A 22 GLN : amide:sc= 1.01 K(o=2.2,f=-10!) USER MOD Single : A 2 SER OG : rot 26:sc= 0.0307 USER MOD Single : A 4 MET CE :methyl -165:sc= -0.0459 (180deg=-0.365) USER MOD Single : A 5 GLN : amide:sc=-0.000793 X(o=-0.00079,f=0) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 9 ASN : amide:sc= -1.83 K(o=-1.8,f=-4.3!) USER MOD Single : A 11 GLN : amide:sc= -5.51! C(o=-5.5!,f=-8.5!) USER MOD Single : A 17 SER OG : rot 180:sc= 0.00141 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 GLN :FLIP amide:sc= -0.575 F(o=-2.1,f=-0.58) USER MOD Single : A 35 THR OG1 : rot -8:sc= 0.658 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot -129:sc= 0.51 USER MOD Single : A 43 TYR OH : rot -120:sc= -0.948 USER MOD Single : A 72 LYS NZ :NH3+ 166:sc= -0.0744 (180deg=-0.317) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -168:sc=-0.00647 (180deg=-0.129) USER MOD Single : A 85 LYS NZ :NH3+ -155:sc= 0.0771 (180deg=-0.811) USER MOD Single : A 88 CYS SG : rot -33:sc= 0.465 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0645) USER MOD Single : A 91 THR OG1 : rot 69:sc= 0.284 USER MOD Single : A 92 SER OG : rot 39:sc= 0.753 USER MOD ----------------------------------------------------------------- ATOM 20 N SER A 2 -4.978 -6.713 2.410 1.00 62.33 N ATOM 21 CA SER A 2 -3.893 -6.693 1.422 1.00 13.23 C ATOM 22 C SER A 2 -4.090 -5.587 0.371 1.00 54.23 C ATOM 23 O SER A 2 -4.597 -5.833 -0.728 1.00 51.40 O ATOM 24 CB SER A 2 -3.763 -8.061 0.734 1.00 65.31 C ATOM 25 OG SER A 2 -3.463 -9.087 1.668 1.00 51.43 O ATOM 0 HA SER A 2 -2.971 -6.475 1.961 1.00 13.23 H new ATOM 0 HB2 SER A 2 -4.692 -8.299 0.217 1.00 65.31 H new ATOM 0 HB3 SER A 2 -2.980 -8.016 -0.023 1.00 65.31 H new ATOM 0 HG SER A 2 -3.795 -8.831 2.554 1.00 51.43 H new ATOM 31 N TRP A 3 -3.697 -4.361 0.723 1.00 24.12 N ATOM 32 CA TRP A 3 -3.753 -3.232 -0.215 1.00 44.51 C ATOM 33 C TRP A 3 -2.922 -3.523 -1.472 1.00 60.22 C ATOM 34 O TRP A 3 -3.327 -3.184 -2.588 1.00 13.22 O ATOM 35 CB TRP A 3 -3.259 -1.943 0.455 1.00 53.24 C ATOM 36 CG TRP A 3 -4.162 -1.458 1.552 1.00 10.30 C ATOM 37 CD1 TRP A 3 -4.009 -1.659 2.893 1.00 23.32 C ATOM 38 CD2 TRP A 3 -5.361 -0.689 1.396 1.00 2.11 C ATOM 39 NE1 TRP A 3 -5.038 -1.060 3.579 1.00 71.11 N ATOM 40 CE2 TRP A 3 -5.882 -0.461 2.682 1.00 74.41 C ATOM 41 CE3 TRP A 3 -6.044 -0.170 0.290 1.00 33.10 C ATOM 42 CZ2 TRP A 3 -7.051 0.265 2.895 1.00 45.41 C ATOM 43 CZ3 TRP A 3 -7.207 0.547 0.503 1.00 12.31 C ATOM 44 CH2 TRP A 3 -7.700 0.759 1.796 1.00 45.33 C ATOM 0 H TRP A 3 -3.337 -4.123 1.647 1.00 24.12 H new ATOM 0 HA TRP A 3 -4.793 -3.096 -0.511 1.00 44.51 H new ATOM 0 HB2 TRP A 3 -2.263 -2.113 0.863 1.00 53.24 H new ATOM 0 HB3 TRP A 3 -3.165 -1.163 -0.300 1.00 53.24 H new ATOM 0 HD1 TRP A 3 -3.198 -2.208 3.348 1.00 23.32 H new ATOM 0 HE1 TRP A 3 -5.154 -1.061 4.592 1.00 71.11 H new ATOM 0 HE3 TRP A 3 -5.670 -0.327 -0.711 1.00 33.10 H new ATOM 0 HZ2 TRP A 3 -7.432 0.432 3.892 1.00 45.41 H new ATOM 0 HZ3 TRP A 3 -7.744 0.950 -0.343 1.00 12.31 H new ATOM 0 HH2 TRP A 3 -8.611 1.324 1.929 1.00 45.33 H new ATOM 55 N MET A 4 -1.768 -4.170 -1.282 1.00 43.31 N ATOM 56 CA MET A 4 -0.925 -4.588 -2.406 1.00 52.30 C ATOM 57 C MET A 4 -1.739 -5.426 -3.399 1.00 40.43 C ATOM 58 O MET A 4 -1.806 -5.103 -4.578 1.00 2.12 O ATOM 59 CB MET A 4 0.291 -5.383 -1.908 1.00 2.40 C ATOM 60 CG MET A 4 1.205 -4.590 -0.980 1.00 51.12 C ATOM 61 SD MET A 4 1.878 -3.108 -1.757 1.00 61.13 S ATOM 62 CE MET A 4 2.872 -3.824 -3.069 1.00 42.24 C ATOM 0 H MET A 4 -1.397 -4.415 -0.364 1.00 43.31 H new ATOM 0 HA MET A 4 -0.564 -3.694 -2.915 1.00 52.30 H new ATOM 0 HB2 MET A 4 -0.058 -6.274 -1.385 1.00 2.40 H new ATOM 0 HB3 MET A 4 0.868 -5.723 -2.768 1.00 2.40 H new ATOM 0 HG2 MET A 4 0.649 -4.305 -0.087 1.00 51.12 H new ATOM 0 HG3 MET A 4 2.026 -5.228 -0.654 1.00 51.12 H new ATOM 0 HE1 MET A 4 3.552 -3.069 -3.464 1.00 42.24 H new ATOM 0 HE2 MET A 4 3.449 -4.660 -2.674 1.00 42.24 H new ATOM 0 HE3 MET A 4 2.220 -4.178 -3.868 1.00 42.24 H new ATOM 72 N GLN A 5 -2.382 -6.485 -2.896 1.00 43.41 N ATOM 73 CA GLN A 5 -3.277 -7.326 -3.709 1.00 32.23 C ATOM 74 C GLN A 5 -4.253 -6.474 -4.541 1.00 1.13 C ATOM 75 O GLN A 5 -4.388 -6.667 -5.751 1.00 40.01 O ATOM 76 CB GLN A 5 -4.081 -8.270 -2.799 1.00 52.10 C ATOM 77 CG GLN A 5 -4.999 -9.234 -3.550 1.00 53.44 C ATOM 78 CD GLN A 5 -5.979 -9.950 -2.636 1.00 24.31 C ATOM 79 OE1 GLN A 5 -7.105 -9.500 -2.433 1.00 32.15 O ATOM 80 NE2 GLN A 5 -5.553 -11.055 -2.059 1.00 23.30 N ATOM 0 H GLN A 5 -2.301 -6.784 -1.924 1.00 43.41 H new ATOM 0 HA GLN A 5 -2.655 -7.904 -4.392 1.00 32.23 H new ATOM 0 HB2 GLN A 5 -3.386 -8.848 -2.190 1.00 52.10 H new ATOM 0 HB3 GLN A 5 -4.683 -7.672 -2.115 1.00 52.10 H new ATOM 0 HG2 GLN A 5 -5.554 -8.682 -4.309 1.00 53.44 H new ATOM 0 HG3 GLN A 5 -4.392 -9.973 -4.073 1.00 53.44 H new ATOM 0 HE21 GLN A 5 -4.612 -11.400 -2.250 1.00 23.30 H new ATOM 0 HE22 GLN A 5 -6.164 -11.565 -1.421 1.00 23.30 H new ATOM 89 N ASN A 6 -4.914 -5.521 -3.874 1.00 40.45 N ATOM 90 CA ASN A 6 -5.912 -4.650 -4.517 1.00 54.23 C ATOM 91 C ASN A 6 -5.347 -3.935 -5.762 1.00 53.01 C ATOM 92 O ASN A 6 -6.007 -3.867 -6.800 1.00 31.11 O ATOM 93 CB ASN A 6 -6.431 -3.612 -3.506 1.00 64.55 C ATOM 94 CG ASN A 6 -7.562 -2.755 -4.059 1.00 55.44 C ATOM 95 OD1 ASN A 6 -8.358 -3.205 -4.879 1.00 40.42 O ATOM 96 ND2 ASN A 6 -7.644 -1.513 -3.620 1.00 22.12 N ATOM 0 H ASN A 6 -4.776 -5.330 -2.882 1.00 40.45 H new ATOM 0 HA ASN A 6 -6.733 -5.285 -4.850 1.00 54.23 H new ATOM 0 HB2 ASN A 6 -6.778 -4.127 -2.610 1.00 64.55 H new ATOM 0 HB3 ASN A 6 -5.608 -2.965 -3.203 1.00 64.55 H new ATOM 0 HD21 ASN A 6 -8.383 -0.899 -3.962 1.00 22.12 H new ATOM 0 HD22 ASN A 6 -6.968 -1.167 -2.939 1.00 22.12 H new ATOM 103 N LEU A 7 -4.129 -3.403 -5.656 1.00 14.12 N ATOM 104 CA LEU A 7 -3.506 -2.664 -6.768 1.00 70.34 C ATOM 105 C LEU A 7 -2.685 -3.585 -7.691 1.00 71.20 C ATOM 106 O LEU A 7 -2.419 -3.245 -8.847 1.00 2.22 O ATOM 107 CB LEU A 7 -2.597 -1.543 -6.228 1.00 34.13 C ATOM 108 CG LEU A 7 -3.312 -0.316 -5.625 1.00 61.34 C ATOM 109 CD1 LEU A 7 -4.254 0.320 -6.643 1.00 11.44 C ATOM 110 CD2 LEU A 7 -4.060 -0.677 -4.342 1.00 73.33 C ATOM 0 H LEU A 7 -3.552 -3.466 -4.817 1.00 14.12 H new ATOM 0 HA LEU A 7 -4.317 -2.233 -7.355 1.00 70.34 H new ATOM 0 HB2 LEU A 7 -1.945 -1.969 -5.465 1.00 34.13 H new ATOM 0 HB3 LEU A 7 -1.956 -1.201 -7.040 1.00 34.13 H new ATOM 0 HG LEU A 7 -2.547 0.415 -5.365 1.00 61.34 H new ATOM 0 HD11 LEU A 7 -4.746 1.183 -6.194 1.00 11.44 H new ATOM 0 HD12 LEU A 7 -3.684 0.640 -7.515 1.00 11.44 H new ATOM 0 HD13 LEU A 7 -5.006 -0.408 -6.948 1.00 11.44 H new ATOM 0 HD21 LEU A 7 -4.552 0.211 -3.945 1.00 73.33 H new ATOM 0 HD22 LEU A 7 -4.808 -1.439 -4.559 1.00 73.33 H new ATOM 0 HD23 LEU A 7 -3.354 -1.061 -3.605 1.00 73.33 H new ATOM 122 N LYS A 8 -2.304 -4.751 -7.178 1.00 74.42 N ATOM 123 CA LYS A 8 -1.340 -5.631 -7.857 1.00 41.50 C ATOM 124 C LYS A 8 -1.997 -6.639 -8.814 1.00 2.03 C ATOM 125 O LYS A 8 -1.838 -6.548 -10.030 1.00 15.51 O ATOM 126 CB LYS A 8 -0.522 -6.402 -6.809 1.00 72.41 C ATOM 127 CG LYS A 8 0.581 -7.280 -7.393 1.00 40.12 C ATOM 128 CD LYS A 8 1.149 -8.244 -6.355 1.00 12.32 C ATOM 129 CE LYS A 8 1.670 -7.523 -5.117 1.00 42.34 C ATOM 130 NZ LYS A 8 2.232 -8.475 -4.125 1.00 62.14 N ATOM 0 H LYS A 8 -2.647 -5.116 -6.289 1.00 74.42 H new ATOM 0 HA LYS A 8 -0.703 -4.984 -8.460 1.00 41.50 H new ATOM 0 HB2 LYS A 8 -0.074 -5.688 -6.118 1.00 72.41 H new ATOM 0 HB3 LYS A 8 -1.198 -7.028 -6.226 1.00 72.41 H new ATOM 0 HG2 LYS A 8 0.186 -7.846 -8.237 1.00 40.12 H new ATOM 0 HG3 LYS A 8 1.381 -6.649 -7.779 1.00 40.12 H new ATOM 0 HD2 LYS A 8 0.376 -8.954 -6.061 1.00 12.32 H new ATOM 0 HD3 LYS A 8 1.958 -8.821 -6.803 1.00 12.32 H new ATOM 0 HE2 LYS A 8 2.437 -6.806 -5.409 1.00 42.34 H new ATOM 0 HE3 LYS A 8 0.861 -6.955 -4.659 1.00 42.34 H new ATOM 0 HZ1 LYS A 8 2.546 -7.953 -3.282 1.00 62.14 H new ATOM 0 HZ2 LYS A 8 1.502 -9.165 -3.854 1.00 62.14 H new ATOM 0 HZ3 LYS A 8 3.042 -8.975 -4.544 1.00 62.14 H new ATOM 144 N ASN A 9 -2.733 -7.596 -8.250 1.00 43.01 N ATOM 145 CA ASN A 9 -3.126 -8.813 -8.979 1.00 40.54 C ATOM 146 C ASN A 9 -3.966 -8.545 -10.238 1.00 75.12 C ATOM 147 O ASN A 9 -4.726 -7.574 -10.308 1.00 21.51 O ATOM 148 CB ASN A 9 -3.871 -9.766 -8.043 1.00 52.11 C ATOM 149 CG ASN A 9 -3.005 -10.184 -6.871 1.00 70.31 C ATOM 150 OD1 ASN A 9 -2.987 -9.531 -5.841 1.00 72.34 O ATOM 151 ND2 ASN A 9 -2.263 -11.263 -7.024 1.00 72.42 N ATOM 0 H ASN A 9 -3.072 -7.557 -7.289 1.00 43.01 H new ATOM 0 HA ASN A 9 -2.200 -9.270 -9.327 1.00 40.54 H new ATOM 0 HB2 ASN A 9 -4.775 -9.282 -7.674 1.00 52.11 H new ATOM 0 HB3 ASN A 9 -4.186 -10.650 -8.598 1.00 52.11 H new ATOM 0 HD21 ASN A 9 -1.652 -11.573 -6.269 1.00 72.42 H new ATOM 0 HD22 ASN A 9 -2.300 -11.788 -7.898 1.00 72.42 H new ATOM 158 N TYR A 10 -3.808 -9.453 -11.212 1.00 34.33 N ATOM 159 CA TYR A 10 -4.503 -9.417 -12.511 1.00 63.43 C ATOM 160 C TYR A 10 -3.823 -8.472 -13.516 1.00 21.25 C ATOM 161 O TYR A 10 -3.922 -7.250 -13.419 1.00 3.25 O ATOM 162 CB TYR A 10 -5.992 -9.066 -12.368 1.00 42.34 C ATOM 163 CG TYR A 10 -6.736 -9.051 -13.693 1.00 23.50 C ATOM 164 CD1 TYR A 10 -7.080 -10.239 -14.330 1.00 42.43 C ATOM 165 CD2 TYR A 10 -7.083 -7.853 -14.313 1.00 1.12 C ATOM 166 CE1 TYR A 10 -7.749 -10.232 -15.540 1.00 11.23 C ATOM 167 CE2 TYR A 10 -7.750 -7.841 -15.521 1.00 45.11 C ATOM 168 CZ TYR A 10 -8.080 -9.031 -16.130 1.00 2.11 C ATOM 169 OH TYR A 10 -8.746 -9.022 -17.333 1.00 51.31 O ATOM 0 H TYR A 10 -3.180 -10.251 -11.118 1.00 34.33 H new ATOM 0 HA TYR A 10 -4.435 -10.430 -12.908 1.00 63.43 H new ATOM 0 HB2 TYR A 10 -6.466 -9.787 -11.701 1.00 42.34 H new ATOM 0 HB3 TYR A 10 -6.084 -8.088 -11.897 1.00 42.34 H new ATOM 0 HD1 TYR A 10 -6.820 -11.182 -13.872 1.00 42.43 H new ATOM 0 HD2 TYR A 10 -6.825 -6.917 -13.840 1.00 1.12 H new ATOM 0 HE1 TYR A 10 -8.011 -11.163 -16.021 1.00 11.23 H new ATOM 0 HE2 TYR A 10 -8.012 -6.902 -15.987 1.00 45.11 H new ATOM 0 HH TYR A 10 -8.096 -9.023 -18.067 1.00 51.31 H new ATOM 179 N GLN A 11 -3.147 -9.072 -14.491 1.00 54.32 N ATOM 180 CA GLN A 11 -2.482 -8.339 -15.574 1.00 35.42 C ATOM 181 C GLN A 11 -3.217 -8.569 -16.905 1.00 25.51 C ATOM 182 O GLN A 11 -3.337 -9.709 -17.368 1.00 15.51 O ATOM 183 CB GLN A 11 -1.020 -8.801 -15.677 1.00 53.31 C ATOM 184 CG GLN A 11 -0.265 -8.285 -16.901 1.00 12.11 C ATOM 185 CD GLN A 11 -0.224 -6.772 -16.991 1.00 43.22 C ATOM 186 OE1 GLN A 11 -1.055 -6.148 -17.640 1.00 40.30 O ATOM 187 NE2 GLN A 11 0.732 -6.170 -16.321 1.00 43.21 N ATOM 0 H GLN A 11 -3.042 -10.084 -14.556 1.00 54.32 H new ATOM 0 HA GLN A 11 -2.505 -7.271 -15.356 1.00 35.42 H new ATOM 0 HB2 GLN A 11 -0.490 -8.481 -14.780 1.00 53.31 H new ATOM 0 HB3 GLN A 11 -0.999 -9.891 -15.688 1.00 53.31 H new ATOM 0 HG2 GLN A 11 0.755 -8.668 -16.877 1.00 12.11 H new ATOM 0 HG3 GLN A 11 -0.733 -8.682 -17.801 1.00 12.11 H new ATOM 0 HE21 GLN A 11 1.408 -6.720 -15.791 1.00 43.21 H new ATOM 0 HE22 GLN A 11 0.799 -5.152 -16.331 1.00 43.21 H new ATOM 196 N HIS A 12 -3.714 -7.493 -17.517 1.00 12.31 N ATOM 197 CA HIS A 12 -4.499 -7.611 -18.756 1.00 43.21 C ATOM 198 C HIS A 12 -3.822 -6.900 -19.939 1.00 52.25 C ATOM 199 O HIS A 12 -3.878 -7.376 -21.073 1.00 34.15 O ATOM 200 CB HIS A 12 -5.914 -7.049 -18.546 1.00 31.02 C ATOM 201 CG HIS A 12 -6.866 -7.385 -19.657 1.00 72.23 C ATOM 202 ND1 HIS A 12 -7.627 -8.532 -19.668 1.00 41.44 N ATOM 203 CD2 HIS A 12 -7.175 -6.727 -20.802 1.00 40.14 C ATOM 204 CE1 HIS A 12 -8.356 -8.569 -20.761 1.00 32.42 C ATOM 205 NE2 HIS A 12 -8.104 -7.487 -21.468 1.00 53.12 N ATOM 0 H HIS A 12 -3.591 -6.537 -17.183 1.00 12.31 H new ATOM 0 HA HIS A 12 -4.561 -8.671 -19.000 1.00 43.21 H new ATOM 0 HB2 HIS A 12 -6.313 -7.434 -17.608 1.00 31.02 H new ATOM 0 HB3 HIS A 12 -5.854 -5.965 -18.446 1.00 31.02 H new ATOM 0 HD2 HIS A 12 -6.767 -5.782 -21.129 1.00 40.14 H new ATOM 0 HE1 HIS A 12 -9.045 -9.354 -21.033 1.00 32.42 H new ATOM 0 HE2 HIS A 12 -8.530 -7.252 -22.365 1.00 53.12 H new ATOM 214 N LEU A 13 -3.196 -5.756 -19.677 1.00 21.25 N ATOM 215 CA LEU A 13 -2.524 -4.984 -20.732 1.00 24.34 C ATOM 216 C LEU A 13 -1.078 -4.642 -20.343 1.00 13.44 C ATOM 217 O LEU A 13 -0.139 -5.337 -20.743 1.00 32.03 O ATOM 218 CB LEU A 13 -3.306 -3.697 -21.049 1.00 5.22 C ATOM 219 CG LEU A 13 -4.694 -3.901 -21.676 1.00 54.31 C ATOM 220 CD1 LEU A 13 -5.388 -2.560 -21.897 1.00 44.13 C ATOM 221 CD2 LEU A 13 -4.582 -4.677 -22.988 1.00 3.44 C ATOM 0 H LEU A 13 -3.137 -5.339 -18.748 1.00 21.25 H new ATOM 0 HA LEU A 13 -2.496 -5.607 -21.626 1.00 24.34 H new ATOM 0 HB2 LEU A 13 -3.424 -3.128 -20.127 1.00 5.22 H new ATOM 0 HB3 LEU A 13 -2.708 -3.087 -21.726 1.00 5.22 H new ATOM 0 HG LEU A 13 -5.300 -4.486 -20.985 1.00 54.31 H new ATOM 0 HD11 LEU A 13 -6.369 -2.727 -22.342 1.00 44.13 H new ATOM 0 HD12 LEU A 13 -5.505 -2.049 -20.941 1.00 44.13 H new ATOM 0 HD13 LEU A 13 -4.786 -1.945 -22.566 1.00 44.13 H new ATOM 0 HD21 LEU A 13 -5.575 -4.812 -23.417 1.00 3.44 H new ATOM 0 HD22 LEU A 13 -3.957 -4.121 -23.687 1.00 3.44 H new ATOM 0 HD23 LEU A 13 -4.134 -5.652 -22.797 1.00 3.44 H new ATOM 233 N ARG A 14 -0.903 -3.575 -19.556 1.00 34.15 N ATOM 234 CA ARG A 14 0.433 -3.118 -19.144 1.00 11.41 C ATOM 235 C ARG A 14 0.473 -2.723 -17.657 1.00 51.42 C ATOM 236 O ARG A 14 1.246 -1.847 -17.278 1.00 60.32 O ATOM 237 CB ARG A 14 0.877 -1.912 -19.992 1.00 60.44 C ATOM 238 CG ARG A 14 0.940 -2.173 -21.496 1.00 11.24 C ATOM 239 CD ARG A 14 1.636 -1.032 -22.235 1.00 2.52 C ATOM 240 NE ARG A 14 3.058 -0.955 -21.889 1.00 11.05 N ATOM 241 CZ ARG A 14 3.622 0.043 -21.260 1.00 22.52 C ATOM 242 NH1 ARG A 14 2.936 1.081 -20.902 1.00 51.51 N ATOM 243 NH2 ARG A 14 4.890 -0.005 -20.997 1.00 31.33 N ATOM 0 H ARG A 14 -1.669 -3.010 -19.190 1.00 34.15 H new ATOM 0 HA ARG A 14 1.114 -3.955 -19.299 1.00 11.41 H new ATOM 0 HB2 ARG A 14 0.190 -1.085 -19.810 1.00 60.44 H new ATOM 0 HB3 ARG A 14 1.861 -1.590 -19.652 1.00 60.44 H new ATOM 0 HG2 ARG A 14 1.472 -3.106 -21.682 1.00 11.24 H new ATOM 0 HG3 ARG A 14 -0.070 -2.298 -21.887 1.00 11.24 H new ATOM 0 HD2 ARG A 14 1.530 -1.175 -23.310 1.00 2.52 H new ATOM 0 HD3 ARG A 14 1.149 -0.088 -21.990 1.00 2.52 H new ATOM 0 HE ARG A 14 3.652 -1.739 -22.159 1.00 11.05 H new ATOM 0 HH11 ARG A 14 1.939 1.130 -21.110 1.00 51.51 H new ATOM 0 HH12 ARG A 14 3.393 1.850 -20.412 1.00 51.51 H new ATOM 0 HH21 ARG A 14 5.439 -0.816 -21.280 1.00 31.33 H new ATOM 0 HH22 ARG A 14 5.339 0.769 -20.507 1.00 31.33 H new ATOM 257 N ASP A 15 -0.345 -3.373 -16.822 1.00 53.14 N ATOM 258 CA ASP A 15 -0.358 -3.102 -15.371 1.00 74.42 C ATOM 259 C ASP A 15 1.078 -3.157 -14.793 1.00 64.23 C ATOM 260 O ASP A 15 1.634 -4.238 -14.579 1.00 12.41 O ATOM 261 CB ASP A 15 -1.273 -4.112 -14.665 1.00 14.22 C ATOM 262 CG ASP A 15 -2.697 -4.075 -15.208 1.00 4.32 C ATOM 263 OD1 ASP A 15 -2.939 -4.614 -16.315 1.00 70.21 O ATOM 264 OD2 ASP A 15 -3.579 -3.493 -14.546 1.00 32.34 O ATOM 0 H ASP A 15 -1.007 -4.090 -17.120 1.00 53.14 H new ATOM 0 HA ASP A 15 -0.747 -2.098 -15.200 1.00 74.42 H new ATOM 0 HB2 ASP A 15 -0.866 -5.116 -14.786 1.00 14.22 H new ATOM 0 HB3 ASP A 15 -1.288 -3.901 -13.596 1.00 14.22 H new ATOM 269 N PRO A 16 1.702 -1.982 -14.549 1.00 2.21 N ATOM 270 CA PRO A 16 3.147 -1.880 -14.352 1.00 15.12 C ATOM 271 C PRO A 16 3.643 -1.946 -12.891 1.00 4.21 C ATOM 272 O PRO A 16 4.014 -3.017 -12.408 1.00 73.10 O ATOM 273 CB PRO A 16 3.447 -0.510 -14.977 1.00 13.43 C ATOM 274 CG PRO A 16 2.191 0.305 -14.792 1.00 54.11 C ATOM 275 CD PRO A 16 1.062 -0.658 -14.470 1.00 24.11 C ATOM 0 HA PRO A 16 3.663 -2.732 -14.794 1.00 15.12 H new ATOM 0 HB2 PRO A 16 4.298 -0.035 -14.489 1.00 13.43 H new ATOM 0 HB3 PRO A 16 3.699 -0.608 -16.033 1.00 13.43 H new ATOM 0 HG2 PRO A 16 2.319 1.028 -13.986 1.00 54.11 H new ATOM 0 HG3 PRO A 16 1.965 0.871 -15.696 1.00 54.11 H new ATOM 0 HD2 PRO A 16 0.647 -0.472 -13.479 1.00 24.11 H new ATOM 0 HD3 PRO A 16 0.242 -0.566 -15.182 1.00 24.11 H new ATOM 283 N SER A 17 3.631 -0.795 -12.206 1.00 73.23 N ATOM 284 CA SER A 17 4.343 -0.590 -10.923 1.00 14.35 C ATOM 285 C SER A 17 4.398 -1.830 -10.021 1.00 54.45 C ATOM 286 O SER A 17 5.478 -2.323 -9.701 1.00 54.25 O ATOM 287 CB SER A 17 3.698 0.563 -10.148 1.00 50.23 C ATOM 288 OG SER A 17 3.639 1.740 -10.939 1.00 43.44 O ATOM 0 H SER A 17 3.125 0.031 -12.524 1.00 73.23 H new ATOM 0 HA SER A 17 5.373 -0.359 -11.194 1.00 14.35 H new ATOM 0 HB2 SER A 17 2.693 0.279 -9.837 1.00 50.23 H new ATOM 0 HB3 SER A 17 4.269 0.759 -9.240 1.00 50.23 H new ATOM 0 HG SER A 17 3.222 2.461 -10.422 1.00 43.44 H new ATOM 294 N GLU A 18 3.236 -2.329 -9.619 1.00 41.23 N ATOM 295 CA GLU A 18 3.155 -3.439 -8.662 1.00 33.33 C ATOM 296 C GLU A 18 3.946 -4.680 -9.119 1.00 30.32 C ATOM 297 O GLU A 18 4.872 -5.110 -8.438 1.00 63.51 O ATOM 298 CB GLU A 18 1.686 -3.792 -8.408 1.00 32.42 C ATOM 299 CG GLU A 18 0.856 -2.607 -7.920 1.00 32.45 C ATOM 300 CD GLU A 18 1.430 -1.967 -6.663 1.00 11.35 C ATOM 301 OE1 GLU A 18 1.107 -2.434 -5.552 1.00 62.10 O ATOM 302 OE2 GLU A 18 2.221 -1.002 -6.781 1.00 33.24 O ATOM 0 H GLU A 18 2.331 -1.985 -9.939 1.00 41.23 H new ATOM 0 HA GLU A 18 3.618 -3.107 -7.733 1.00 33.33 H new ATOM 0 HB2 GLU A 18 1.248 -4.179 -9.328 1.00 32.42 H new ATOM 0 HB3 GLU A 18 1.634 -4.592 -7.669 1.00 32.42 H new ATOM 0 HG2 GLU A 18 0.799 -1.859 -8.710 1.00 32.45 H new ATOM 0 HG3 GLU A 18 -0.163 -2.939 -7.721 1.00 32.45 H new ATOM 309 N TYR A 19 3.581 -5.250 -10.267 1.00 23.54 N ATOM 310 CA TYR A 19 4.304 -6.412 -10.824 1.00 70.43 C ATOM 311 C TYR A 19 5.783 -6.085 -11.143 1.00 23.42 C ATOM 312 O TYR A 19 6.701 -6.827 -10.764 1.00 74.11 O ATOM 313 CB TYR A 19 3.597 -6.926 -12.092 1.00 54.41 C ATOM 314 CG TYR A 19 2.465 -7.910 -11.830 1.00 1.22 C ATOM 315 CD1 TYR A 19 1.332 -7.537 -11.115 1.00 30.35 C ATOM 316 CD2 TYR A 19 2.533 -9.218 -12.303 1.00 3.12 C ATOM 317 CE1 TYR A 19 0.307 -8.437 -10.879 1.00 61.43 C ATOM 318 CE2 TYR A 19 1.511 -10.121 -12.071 1.00 11.23 C ATOM 319 CZ TYR A 19 0.401 -9.726 -11.358 1.00 32.12 C ATOM 320 OH TYR A 19 -0.621 -10.622 -11.124 1.00 44.24 O ATOM 0 H TYR A 19 2.794 -4.934 -10.833 1.00 23.54 H new ATOM 0 HA TYR A 19 4.296 -7.189 -10.060 1.00 70.43 H new ATOM 0 HB2 TYR A 19 3.200 -6.073 -12.642 1.00 54.41 H new ATOM 0 HB3 TYR A 19 4.335 -7.404 -12.736 1.00 54.41 H new ATOM 0 HD1 TYR A 19 1.250 -6.528 -10.738 1.00 30.35 H new ATOM 0 HD2 TYR A 19 3.401 -9.534 -12.862 1.00 3.12 H new ATOM 0 HE1 TYR A 19 -0.565 -8.130 -10.321 1.00 61.43 H new ATOM 0 HE2 TYR A 19 1.583 -11.131 -12.447 1.00 11.23 H new ATOM 0 HH TYR A 19 -0.398 -11.486 -11.530 1.00 44.24 H new ATOM 330 N MET A 20 6.009 -4.966 -11.827 1.00 62.34 N ATOM 331 CA MET A 20 7.359 -4.582 -12.264 1.00 2.32 C ATOM 332 C MET A 20 8.286 -4.261 -11.076 1.00 75.05 C ATOM 333 O MET A 20 9.508 -4.312 -11.205 1.00 33.34 O ATOM 334 CB MET A 20 7.279 -3.401 -13.238 1.00 74.41 C ATOM 335 CG MET A 20 6.491 -3.731 -14.502 1.00 32.32 C ATOM 336 SD MET A 20 6.318 -2.331 -15.626 1.00 12.43 S ATOM 337 CE MET A 20 5.283 -3.058 -16.900 1.00 71.13 C ATOM 0 H MET A 20 5.278 -4.306 -12.093 1.00 62.34 H new ATOM 0 HA MET A 20 7.798 -5.436 -12.779 1.00 2.32 H new ATOM 0 HB2 MET A 20 6.814 -2.553 -12.736 1.00 74.41 H new ATOM 0 HB3 MET A 20 8.288 -3.094 -13.514 1.00 74.41 H new ATOM 0 HG2 MET A 20 6.985 -4.549 -15.026 1.00 32.32 H new ATOM 0 HG3 MET A 20 5.500 -4.086 -14.221 1.00 32.32 H new ATOM 0 HE1 MET A 20 5.258 -2.399 -17.768 1.00 71.13 H new ATOM 0 HE2 MET A 20 5.690 -4.026 -17.191 1.00 71.13 H new ATOM 0 HE3 MET A 20 4.272 -3.190 -16.516 1.00 71.13 H new ATOM 347 N SER A 21 7.700 -3.930 -9.923 1.00 72.42 N ATOM 348 CA SER A 21 8.468 -3.781 -8.674 1.00 73.02 C ATOM 349 C SER A 21 8.304 -5.017 -7.774 1.00 15.52 C ATOM 350 O SER A 21 9.010 -5.166 -6.776 1.00 23.11 O ATOM 351 CB SER A 21 8.047 -2.511 -7.918 1.00 72.55 C ATOM 352 OG SER A 21 8.401 -1.340 -8.648 1.00 14.24 O ATOM 0 H SER A 21 6.699 -3.759 -9.823 1.00 72.42 H new ATOM 0 HA SER A 21 9.521 -3.689 -8.942 1.00 73.02 H new ATOM 0 HB2 SER A 21 6.971 -2.525 -7.747 1.00 72.55 H new ATOM 0 HB3 SER A 21 8.525 -2.491 -6.939 1.00 72.55 H new ATOM 0 HG SER A 21 8.121 -0.545 -8.147 1.00 14.24 H new ATOM 358 N GLN A 22 7.356 -5.890 -8.128 1.00 44.14 N ATOM 359 CA GLN A 22 7.195 -7.191 -7.462 1.00 41.31 C ATOM 360 C GLN A 22 8.488 -8.001 -7.570 1.00 23.01 C ATOM 361 O GLN A 22 8.915 -8.662 -6.618 1.00 1.33 O ATOM 362 CB GLN A 22 6.042 -7.978 -8.109 1.00 71.33 C ATOM 363 CG GLN A 22 5.826 -9.372 -7.534 1.00 15.04 C ATOM 364 CD GLN A 22 5.332 -9.342 -6.104 1.00 23.45 C ATOM 365 OE1 GLN A 22 4.134 -9.307 -5.855 1.00 50.35 O ATOM 366 NE2 GLN A 22 6.245 -9.348 -5.157 1.00 64.33 N ATOM 0 H GLN A 22 6.684 -5.720 -8.876 1.00 44.14 H new ATOM 0 HA GLN A 22 6.966 -7.017 -6.411 1.00 41.31 H new ATOM 0 HB2 GLN A 22 5.121 -7.406 -7.997 1.00 71.33 H new ATOM 0 HB3 GLN A 22 6.234 -8.066 -9.178 1.00 71.33 H new ATOM 0 HG2 GLN A 22 5.106 -9.908 -8.152 1.00 15.04 H new ATOM 0 HG3 GLN A 22 6.762 -9.929 -7.579 1.00 15.04 H new ATOM 0 HE21 GLN A 22 7.235 -9.378 -5.403 1.00 64.33 H new ATOM 0 HE22 GLN A 22 5.963 -9.323 -4.177 1.00 64.33 H new ATOM 375 N VAL A 23 9.095 -7.952 -8.753 1.00 13.31 N ATOM 376 CA VAL A 23 10.395 -8.588 -8.975 1.00 61.03 C ATOM 377 C VAL A 23 11.533 -7.822 -8.265 1.00 44.20 C ATOM 378 O VAL A 23 11.779 -6.646 -8.531 1.00 24.11 O ATOM 379 CB VAL A 23 10.709 -8.715 -10.489 1.00 61.54 C ATOM 380 CG1 VAL A 23 10.715 -7.351 -11.177 1.00 1.35 C ATOM 381 CG2 VAL A 23 12.032 -9.448 -10.710 1.00 41.12 C ATOM 0 H VAL A 23 8.711 -7.480 -9.572 1.00 13.31 H new ATOM 0 HA VAL A 23 10.335 -9.588 -8.545 1.00 61.03 H new ATOM 0 HB VAL A 23 9.913 -9.306 -10.943 1.00 61.54 H new ATOM 0 HG11 VAL A 23 10.938 -7.479 -12.236 1.00 1.35 H new ATOM 0 HG12 VAL A 23 9.737 -6.883 -11.066 1.00 1.35 H new ATOM 0 HG13 VAL A 23 11.474 -6.716 -10.720 1.00 1.35 H new ATOM 0 HG21 VAL A 23 12.231 -9.525 -11.779 1.00 41.12 H new ATOM 0 HG22 VAL A 23 12.839 -8.895 -10.229 1.00 41.12 H new ATOM 0 HG23 VAL A 23 11.971 -10.447 -10.279 1.00 41.12 H new ATOM 391 N TYR A 24 12.220 -8.501 -7.347 1.00 4.15 N ATOM 392 CA TYR A 24 13.357 -7.904 -6.623 1.00 50.24 C ATOM 393 C TYR A 24 14.524 -7.531 -7.556 1.00 43.45 C ATOM 394 O TYR A 24 15.274 -6.596 -7.277 1.00 15.04 O ATOM 395 CB TYR A 24 13.859 -8.864 -5.532 1.00 34.44 C ATOM 396 CG TYR A 24 15.218 -8.484 -4.962 1.00 15.52 C ATOM 397 CD1 TYR A 24 15.355 -7.419 -4.078 1.00 21.11 C ATOM 398 CD2 TYR A 24 16.367 -9.182 -5.328 1.00 13.13 C ATOM 399 CE1 TYR A 24 16.592 -7.063 -3.575 1.00 43.45 C ATOM 400 CE2 TYR A 24 17.605 -8.829 -4.830 1.00 73.13 C ATOM 401 CZ TYR A 24 17.712 -7.771 -3.954 1.00 63.03 C ATOM 402 OH TYR A 24 18.945 -7.419 -3.458 1.00 11.33 O ATOM 0 H TYR A 24 12.014 -9.464 -7.083 1.00 4.15 H new ATOM 0 HA TYR A 24 12.991 -6.983 -6.170 1.00 50.24 H new ATOM 0 HB2 TYR A 24 13.130 -8.893 -4.722 1.00 34.44 H new ATOM 0 HB3 TYR A 24 13.917 -9.871 -5.945 1.00 34.44 H new ATOM 0 HD1 TYR A 24 14.480 -6.861 -3.780 1.00 21.11 H new ATOM 0 HD2 TYR A 24 16.288 -10.013 -6.013 1.00 13.13 H new ATOM 0 HE1 TYR A 24 16.681 -6.234 -2.888 1.00 43.45 H new ATOM 0 HE2 TYR A 24 18.486 -9.380 -5.126 1.00 73.13 H new ATOM 0 HH TYR A 24 19.628 -8.019 -3.824 1.00 11.33 H new ATOM 412 N GLY A 25 14.684 -8.273 -8.647 1.00 60.52 N ATOM 413 CA GLY A 25 15.816 -8.051 -9.539 1.00 23.15 C ATOM 414 C GLY A 25 15.663 -6.821 -10.430 1.00 2.30 C ATOM 415 O GLY A 25 15.483 -5.699 -9.946 1.00 61.45 O ATOM 0 H GLY A 25 14.054 -9.023 -8.932 1.00 60.52 H new ATOM 0 HA2 GLY A 25 16.722 -7.946 -8.942 1.00 23.15 H new ATOM 0 HA3 GLY A 25 15.949 -8.931 -10.169 1.00 23.15 H new ATOM 419 N ASP A 26 15.746 -7.032 -11.739 1.00 74.02 N ATOM 420 CA ASP A 26 15.654 -5.933 -12.706 1.00 70.32 C ATOM 421 C ASP A 26 14.215 -5.761 -13.239 1.00 31.32 C ATOM 422 O ASP A 26 13.622 -6.706 -13.769 1.00 33.22 O ATOM 423 CB ASP A 26 16.626 -6.179 -13.861 1.00 55.43 C ATOM 424 CG ASP A 26 18.060 -6.318 -13.382 1.00 53.54 C ATOM 425 OD1 ASP A 26 18.748 -5.283 -13.251 1.00 74.33 O ATOM 426 OD2 ASP A 26 18.505 -7.455 -13.128 1.00 11.44 O ATOM 0 H ASP A 26 15.877 -7.952 -12.159 1.00 74.02 H new ATOM 0 HA ASP A 26 15.924 -5.009 -12.196 1.00 70.32 H new ATOM 0 HB2 ASP A 26 16.333 -7.084 -14.394 1.00 55.43 H new ATOM 0 HB3 ASP A 26 16.560 -5.355 -14.571 1.00 55.43 H new ATOM 431 N PRO A 27 13.642 -4.541 -13.115 1.00 51.05 N ATOM 432 CA PRO A 27 12.246 -4.256 -13.521 1.00 60.32 C ATOM 433 C PRO A 27 11.941 -4.566 -15.000 1.00 50.12 C ATOM 434 O PRO A 27 10.879 -5.109 -15.317 1.00 3.23 O ATOM 435 CB PRO A 27 12.094 -2.750 -13.252 1.00 62.04 C ATOM 436 CG PRO A 27 13.135 -2.438 -12.231 1.00 54.01 C ATOM 437 CD PRO A 27 14.295 -3.345 -12.543 1.00 71.23 C ATOM 0 HA PRO A 27 11.550 -4.888 -12.970 1.00 60.32 H new ATOM 0 HB2 PRO A 27 12.245 -2.169 -14.161 1.00 62.04 H new ATOM 0 HB3 PRO A 27 11.096 -2.513 -12.884 1.00 62.04 H new ATOM 0 HG2 PRO A 27 13.432 -1.391 -12.282 1.00 54.01 H new ATOM 0 HG3 PRO A 27 12.760 -2.614 -11.223 1.00 54.01 H new ATOM 0 HD2 PRO A 27 14.986 -2.886 -13.250 1.00 71.23 H new ATOM 0 HD3 PRO A 27 14.868 -3.588 -11.648 1.00 71.23 H new ATOM 445 N LEU A 28 12.866 -4.218 -15.905 1.00 53.15 N ATOM 446 CA LEU A 28 12.652 -4.435 -17.348 1.00 12.44 C ATOM 447 C LEU A 28 12.304 -5.900 -17.665 1.00 25.42 C ATOM 448 O LEU A 28 11.591 -6.178 -18.631 1.00 13.32 O ATOM 449 CB LEU A 28 13.864 -3.984 -18.190 1.00 25.25 C ATOM 450 CG LEU A 28 15.194 -4.727 -17.950 1.00 62.12 C ATOM 451 CD1 LEU A 28 16.177 -4.443 -19.083 1.00 61.14 C ATOM 452 CD2 LEU A 28 15.812 -4.330 -16.615 1.00 32.30 C ATOM 0 H LEU A 28 13.761 -3.789 -15.670 1.00 53.15 H new ATOM 0 HA LEU A 28 11.799 -3.814 -17.623 1.00 12.44 H new ATOM 0 HB2 LEU A 28 13.603 -4.087 -19.243 1.00 25.25 H new ATOM 0 HB3 LEU A 28 14.030 -2.923 -18.005 1.00 25.25 H new ATOM 0 HG LEU A 28 14.979 -5.795 -17.925 1.00 62.12 H new ATOM 0 HD11 LEU A 28 17.110 -4.975 -18.897 1.00 61.14 H new ATOM 0 HD12 LEU A 28 15.750 -4.778 -20.028 1.00 61.14 H new ATOM 0 HD13 LEU A 28 16.374 -3.372 -19.134 1.00 61.14 H new ATOM 0 HD21 LEU A 28 16.748 -4.869 -16.473 1.00 32.30 H new ATOM 0 HD22 LEU A 28 16.006 -3.258 -16.609 1.00 32.30 H new ATOM 0 HD23 LEU A 28 15.124 -4.579 -15.807 1.00 32.30 H new ATOM 464 N ALA A 29 12.791 -6.833 -16.844 1.00 74.35 N ATOM 465 CA ALA A 29 12.417 -8.244 -16.982 1.00 34.31 C ATOM 466 C ALA A 29 10.896 -8.412 -16.883 1.00 42.05 C ATOM 467 O ALA A 29 10.255 -8.952 -17.786 1.00 11.31 O ATOM 468 CB ALA A 29 13.111 -9.085 -15.918 1.00 71.21 C ATOM 0 H ALA A 29 13.441 -6.640 -16.082 1.00 74.35 H new ATOM 0 HA ALA A 29 12.739 -8.589 -17.964 1.00 34.31 H new ATOM 0 HB1 ALA A 29 12.823 -10.130 -16.035 1.00 71.21 H new ATOM 0 HB2 ALA A 29 14.191 -8.992 -16.029 1.00 71.21 H new ATOM 0 HB3 ALA A 29 12.816 -8.735 -14.929 1.00 71.21 H new ATOM 474 N TYR A 30 10.321 -7.920 -15.783 1.00 24.34 N ATOM 475 CA TYR A 30 8.871 -7.976 -15.579 1.00 64.12 C ATOM 476 C TYR A 30 8.116 -7.013 -16.508 1.00 45.31 C ATOM 477 O TYR A 30 6.907 -7.135 -16.673 1.00 15.52 O ATOM 478 CB TYR A 30 8.514 -7.709 -14.108 1.00 51.24 C ATOM 479 CG TYR A 30 7.937 -8.928 -13.404 1.00 20.32 C ATOM 480 CD1 TYR A 30 8.754 -9.990 -13.027 1.00 54.51 C ATOM 481 CD2 TYR A 30 6.577 -9.022 -13.128 1.00 55.43 C ATOM 482 CE1 TYR A 30 8.232 -11.103 -12.395 1.00 62.31 C ATOM 483 CE2 TYR A 30 6.051 -10.133 -12.495 1.00 14.35 C ATOM 484 CZ TYR A 30 6.882 -11.169 -12.130 1.00 2.53 C ATOM 485 OH TYR A 30 6.362 -12.273 -11.496 1.00 22.40 O ATOM 0 H TYR A 30 10.836 -7.479 -15.021 1.00 24.34 H new ATOM 0 HA TYR A 30 8.551 -8.986 -15.836 1.00 64.12 H new ATOM 0 HB2 TYR A 30 9.407 -7.379 -13.577 1.00 51.24 H new ATOM 0 HB3 TYR A 30 7.794 -6.893 -14.057 1.00 51.24 H new ATOM 0 HD1 TYR A 30 9.813 -9.944 -13.232 1.00 54.51 H new ATOM 0 HD2 TYR A 30 5.921 -8.213 -13.413 1.00 55.43 H new ATOM 0 HE1 TYR A 30 8.881 -11.918 -12.110 1.00 62.31 H new ATOM 0 HE2 TYR A 30 4.993 -10.188 -12.288 1.00 14.35 H new ATOM 0 HH TYR A 30 5.395 -12.160 -11.384 1.00 22.40 H new ATOM 495 N LEU A 31 8.815 -6.054 -17.107 1.00 22.33 N ATOM 496 CA LEU A 31 8.213 -5.213 -18.152 1.00 25.05 C ATOM 497 C LEU A 31 7.769 -6.087 -19.339 1.00 3.54 C ATOM 498 O LEU A 31 6.573 -6.179 -19.654 1.00 14.22 O ATOM 499 CB LEU A 31 9.209 -4.135 -18.613 1.00 11.15 C ATOM 500 CG LEU A 31 8.746 -3.247 -19.784 1.00 5.45 C ATOM 501 CD1 LEU A 31 7.472 -2.485 -19.431 1.00 12.22 C ATOM 502 CD2 LEU A 31 9.856 -2.280 -20.193 1.00 72.35 C ATOM 0 H LEU A 31 9.789 -5.836 -16.894 1.00 22.33 H new ATOM 0 HA LEU A 31 7.336 -4.712 -17.741 1.00 25.05 H new ATOM 0 HB2 LEU A 31 9.438 -3.492 -17.763 1.00 11.15 H new ATOM 0 HB3 LEU A 31 10.139 -4.626 -18.900 1.00 11.15 H new ATOM 0 HG LEU A 31 8.522 -3.897 -20.630 1.00 5.45 H new ATOM 0 HD11 LEU A 31 7.171 -1.868 -20.277 1.00 12.22 H new ATOM 0 HD12 LEU A 31 6.677 -3.193 -19.198 1.00 12.22 H new ATOM 0 HD13 LEU A 31 7.657 -1.849 -18.565 1.00 12.22 H new ATOM 0 HD21 LEU A 31 9.512 -1.661 -21.021 1.00 72.35 H new ATOM 0 HD22 LEU A 31 10.114 -1.644 -19.347 1.00 72.35 H new ATOM 0 HD23 LEU A 31 10.735 -2.845 -20.503 1.00 72.35 H new ATOM 514 N GLN A 32 8.733 -6.758 -19.971 1.00 62.42 N ATOM 515 CA GLN A 32 8.421 -7.714 -21.039 1.00 4.42 C ATOM 516 C GLN A 32 7.508 -8.834 -20.512 1.00 72.14 C ATOM 517 O GLN A 32 6.536 -9.227 -21.168 1.00 62.12 O ATOM 518 CB GLN A 32 9.703 -8.327 -21.629 1.00 30.44 C ATOM 519 CG GLN A 32 10.545 -7.373 -22.475 1.00 22.11 C ATOM 520 CD GLN A 32 11.353 -6.379 -21.658 1.00 2.34 C ATOM 521 OE1 GLN A 32 10.786 -5.221 -21.402 1.00 22.25 O flip ATOM 522 NE2 GLN A 32 12.490 -6.647 -21.277 1.00 14.31 N flip ATOM 0 H GLN A 32 9.727 -6.660 -19.766 1.00 62.42 H new ATOM 0 HA GLN A 32 7.902 -7.169 -21.828 1.00 4.42 H new ATOM 0 HB2 GLN A 32 10.318 -8.702 -20.811 1.00 30.44 H new ATOM 0 HB3 GLN A 32 9.429 -9.186 -22.242 1.00 30.44 H new ATOM 0 HG2 GLN A 32 11.225 -7.957 -23.096 1.00 22.11 H new ATOM 0 HG3 GLN A 32 9.888 -6.825 -23.150 1.00 22.11 H new ATOM 0 HE21 GLN A 32 12.899 -7.556 -21.493 1.00 14.31 H new ATOM 0 HE22 GLN A 32 13.024 -5.961 -20.744 1.00 14.31 H new ATOM 531 N GLU A 33 7.825 -9.337 -19.316 1.00 72.43 N ATOM 532 CA GLU A 33 7.030 -10.391 -18.678 1.00 73.23 C ATOM 533 C GLU A 33 5.544 -10.019 -18.617 1.00 1.43 C ATOM 534 O GLU A 33 4.728 -10.643 -19.268 1.00 63.12 O ATOM 535 CB GLU A 33 7.554 -10.684 -17.265 1.00 61.32 C ATOM 536 CG GLU A 33 6.770 -11.763 -16.522 1.00 33.43 C ATOM 537 CD GLU A 33 6.748 -13.086 -17.268 1.00 34.35 C ATOM 538 OE1 GLU A 33 7.811 -13.731 -17.355 1.00 30.33 O ATOM 539 OE2 GLU A 33 5.675 -13.473 -17.779 1.00 15.34 O ATOM 0 H GLU A 33 8.629 -9.031 -18.768 1.00 72.43 H new ATOM 0 HA GLU A 33 7.130 -11.288 -19.289 1.00 73.23 H new ATOM 0 HB2 GLU A 33 8.598 -10.990 -17.332 1.00 61.32 H new ATOM 0 HB3 GLU A 33 7.528 -9.764 -16.681 1.00 61.32 H new ATOM 0 HG2 GLU A 33 7.210 -11.913 -15.536 1.00 33.43 H new ATOM 0 HG3 GLU A 33 5.747 -11.421 -16.366 1.00 33.43 H new ATOM 546 N THR A 34 5.207 -8.978 -17.861 1.00 41.45 N ATOM 547 CA THR A 34 3.804 -8.566 -17.676 1.00 42.41 C ATOM 548 C THR A 34 3.066 -8.352 -19.005 1.00 44.14 C ATOM 549 O THR A 34 1.897 -8.717 -19.135 1.00 75.33 O ATOM 550 CB THR A 34 3.682 -7.269 -16.845 1.00 64.31 C ATOM 551 OG1 THR A 34 4.399 -6.200 -17.479 1.00 72.42 O ATOM 552 CG2 THR A 34 4.200 -7.472 -15.426 1.00 1.50 C ATOM 0 H THR A 34 5.882 -8.398 -17.362 1.00 41.45 H new ATOM 0 HA THR A 34 3.340 -9.393 -17.139 1.00 42.41 H new ATOM 0 HB THR A 34 2.625 -7.007 -16.789 1.00 64.31 H new ATOM 0 HG1 THR A 34 5.361 -6.324 -17.340 1.00 72.42 H new ATOM 0 HG21 THR A 34 4.101 -6.542 -14.866 1.00 1.50 H new ATOM 0 HG22 THR A 34 3.621 -8.254 -14.936 1.00 1.50 H new ATOM 0 HG23 THR A 34 5.249 -7.765 -15.460 1.00 1.50 H new ATOM 560 N THR A 35 3.739 -7.759 -19.988 1.00 20.04 N ATOM 561 CA THR A 35 3.106 -7.501 -21.291 1.00 54.13 C ATOM 562 C THR A 35 2.873 -8.791 -22.103 1.00 21.54 C ATOM 563 O THR A 35 2.055 -8.806 -23.024 1.00 44.21 O ATOM 564 CB THR A 35 3.919 -6.493 -22.142 1.00 71.22 C ATOM 565 OG1 THR A 35 5.252 -6.976 -22.367 1.00 14.23 O ATOM 566 CG2 THR A 35 3.982 -5.133 -21.453 1.00 24.43 C ATOM 0 H THR A 35 4.708 -7.450 -19.916 1.00 20.04 H new ATOM 0 HA THR A 35 2.134 -7.064 -21.061 1.00 54.13 H new ATOM 0 HB THR A 35 3.413 -6.384 -23.101 1.00 71.22 H new ATOM 0 HG1 THR A 35 5.406 -7.776 -21.823 1.00 14.23 H new ATOM 0 HG21 THR A 35 4.557 -4.440 -22.067 1.00 24.43 H new ATOM 0 HG22 THR A 35 2.972 -4.746 -21.319 1.00 24.43 H new ATOM 0 HG23 THR A 35 4.462 -5.240 -20.480 1.00 24.43 H new ATOM 574 N LYS A 36 3.593 -9.867 -21.767 1.00 70.52 N ATOM 575 CA LYS A 36 3.380 -11.180 -22.410 1.00 35.04 C ATOM 576 C LYS A 36 2.520 -12.130 -21.544 1.00 44.23 C ATOM 577 O LYS A 36 1.686 -12.872 -22.068 1.00 23.11 O ATOM 578 CB LYS A 36 4.733 -11.838 -22.718 1.00 25.30 C ATOM 579 CG LYS A 36 5.572 -11.067 -23.733 1.00 12.00 C ATOM 580 CD LYS A 36 4.840 -10.911 -25.064 1.00 55.02 C ATOM 581 CE LYS A 36 5.658 -10.122 -26.075 1.00 2.30 C ATOM 582 NZ LYS A 36 4.918 -9.915 -27.344 1.00 64.40 N ATOM 0 H LYS A 36 4.326 -9.861 -21.058 1.00 70.52 H new ATOM 0 HA LYS A 36 2.833 -11.001 -23.336 1.00 35.04 H new ATOM 0 HB2 LYS A 36 5.299 -11.936 -21.792 1.00 25.30 H new ATOM 0 HB3 LYS A 36 4.560 -12.846 -23.094 1.00 25.30 H new ATOM 0 HG2 LYS A 36 5.814 -10.083 -23.333 1.00 12.00 H new ATOM 0 HG3 LYS A 36 6.516 -11.587 -23.895 1.00 12.00 H new ATOM 0 HD2 LYS A 36 4.614 -11.897 -25.471 1.00 55.02 H new ATOM 0 HD3 LYS A 36 3.887 -10.408 -24.897 1.00 55.02 H new ATOM 0 HE2 LYS A 36 5.927 -9.155 -25.649 1.00 2.30 H new ATOM 0 HE3 LYS A 36 6.589 -10.650 -26.280 1.00 2.30 H new ATOM 0 HZ1 LYS A 36 5.509 -9.374 -28.006 1.00 64.40 H new ATOM 0 HZ2 LYS A 36 4.684 -10.837 -27.764 1.00 64.40 H new ATOM 0 HZ3 LYS A 36 4.041 -9.389 -27.153 1.00 64.40 H new ATOM 596 N PHE A 37 2.743 -12.095 -20.228 1.00 25.41 N ATOM 597 CA PHE A 37 2.049 -12.954 -19.251 1.00 44.31 C ATOM 598 C PHE A 37 2.506 -14.425 -19.371 1.00 55.22 C ATOM 599 O PHE A 37 1.807 -15.350 -18.952 1.00 43.40 O ATOM 600 CB PHE A 37 0.521 -12.825 -19.414 1.00 71.32 C ATOM 601 CG PHE A 37 -0.275 -13.240 -18.200 1.00 52.44 C ATOM 602 CD1 PHE A 37 -0.360 -12.405 -17.095 1.00 53.31 C ATOM 603 CD2 PHE A 37 -0.941 -14.456 -18.165 1.00 32.44 C ATOM 604 CE1 PHE A 37 -1.089 -12.775 -15.981 1.00 62.50 C ATOM 605 CE2 PHE A 37 -1.672 -14.832 -17.053 1.00 13.42 C ATOM 606 CZ PHE A 37 -1.746 -13.991 -15.960 1.00 4.20 C ATOM 0 H PHE A 37 3.419 -11.462 -19.800 1.00 25.41 H new ATOM 0 HA PHE A 37 2.315 -12.616 -18.249 1.00 44.31 H new ATOM 0 HB2 PHE A 37 0.280 -11.789 -19.654 1.00 71.32 H new ATOM 0 HB3 PHE A 37 0.206 -13.431 -20.264 1.00 71.32 H new ATOM 0 HD1 PHE A 37 0.150 -11.453 -17.106 1.00 53.31 H new ATOM 0 HD2 PHE A 37 -0.888 -15.118 -19.017 1.00 32.44 H new ATOM 0 HE1 PHE A 37 -1.145 -12.115 -15.128 1.00 62.50 H new ATOM 0 HE2 PHE A 37 -2.185 -15.782 -17.039 1.00 13.42 H new ATOM 0 HZ PHE A 37 -2.316 -14.283 -15.090 1.00 4.20 H new ATOM 616 N VAL A 38 3.708 -14.629 -19.917 1.00 53.41 N ATOM 617 CA VAL A 38 4.264 -15.975 -20.118 1.00 25.23 C ATOM 618 C VAL A 38 5.795 -16.000 -19.926 1.00 3.00 C ATOM 619 O VAL A 38 6.550 -15.565 -20.797 1.00 12.35 O ATOM 620 CB VAL A 38 3.910 -16.545 -21.527 1.00 22.21 C ATOM 621 CG1 VAL A 38 2.436 -16.946 -21.605 1.00 25.33 C ATOM 622 CG2 VAL A 38 4.251 -15.540 -22.631 1.00 33.42 C ATOM 0 H VAL A 38 4.320 -13.876 -20.230 1.00 53.41 H new ATOM 0 HA VAL A 38 3.806 -16.608 -19.358 1.00 25.23 H new ATOM 0 HB VAL A 38 4.515 -17.438 -21.681 1.00 22.21 H new ATOM 0 HG11 VAL A 38 2.218 -17.340 -22.598 1.00 25.33 H new ATOM 0 HG12 VAL A 38 2.227 -17.711 -20.857 1.00 25.33 H new ATOM 0 HG13 VAL A 38 1.811 -16.073 -21.415 1.00 25.33 H new ATOM 0 HG21 VAL A 38 3.994 -15.964 -23.601 1.00 33.42 H new ATOM 0 HG22 VAL A 38 3.685 -14.622 -22.475 1.00 33.42 H new ATOM 0 HG23 VAL A 38 5.318 -15.317 -22.604 1.00 33.42 H new ATOM 632 N THR A 39 6.247 -16.500 -18.772 1.00 15.32 N ATOM 633 CA THR A 39 7.688 -16.665 -18.506 1.00 13.14 C ATOM 634 C THR A 39 8.325 -17.700 -19.443 1.00 41.01 C ATOM 635 O THR A 39 8.533 -18.852 -19.063 1.00 35.12 O ATOM 636 CB THR A 39 7.961 -17.102 -17.043 1.00 51.05 C ATOM 637 OG1 THR A 39 7.246 -16.259 -16.133 1.00 32.42 O ATOM 638 CG2 THR A 39 9.452 -17.064 -16.714 1.00 24.31 C ATOM 0 H THR A 39 5.642 -16.798 -18.007 1.00 15.32 H new ATOM 0 HA THR A 39 8.135 -15.687 -18.682 1.00 13.14 H new ATOM 0 HB THR A 39 7.616 -18.130 -16.937 1.00 51.05 H new ATOM 0 HG1 THR A 39 7.859 -15.927 -15.444 1.00 32.42 H new ATOM 0 HG21 THR A 39 9.605 -17.376 -15.681 1.00 24.31 H new ATOM 0 HG22 THR A 39 9.989 -17.739 -17.380 1.00 24.31 H new ATOM 0 HG23 THR A 39 9.828 -16.049 -16.846 1.00 24.31 H new ATOM 646 N GLU A 40 8.597 -17.302 -20.678 1.00 64.33 N ATOM 647 CA GLU A 40 9.280 -18.176 -21.631 1.00 42.05 C ATOM 648 C GLU A 40 10.806 -18.143 -21.437 1.00 23.41 C ATOM 649 O GLU A 40 11.316 -17.462 -20.542 1.00 74.24 O ATOM 650 CB GLU A 40 8.914 -17.779 -23.070 1.00 35.04 C ATOM 651 CG GLU A 40 7.416 -17.855 -23.368 1.00 15.24 C ATOM 652 CD GLU A 40 6.804 -19.209 -23.028 1.00 40.43 C ATOM 653 OE1 GLU A 40 7.320 -20.243 -23.501 1.00 10.00 O ATOM 654 OE2 GLU A 40 5.800 -19.252 -22.283 1.00 64.54 O ATOM 0 H GLU A 40 8.357 -16.382 -21.046 1.00 64.33 H new ATOM 0 HA GLU A 40 8.946 -19.197 -21.447 1.00 42.05 H new ATOM 0 HB2 GLU A 40 9.261 -16.763 -23.256 1.00 35.04 H new ATOM 0 HB3 GLU A 40 9.447 -18.430 -23.763 1.00 35.04 H new ATOM 0 HG2 GLU A 40 6.900 -17.078 -22.804 1.00 15.24 H new ATOM 0 HG3 GLU A 40 7.251 -17.644 -24.425 1.00 15.24 H new ATOM 661 N ARG A 41 11.518 -18.890 -22.284 1.00 64.24 N ATOM 662 CA ARG A 41 12.989 -19.006 -22.223 1.00 1.54 C ATOM 663 C ARG A 41 13.699 -17.685 -21.863 1.00 22.13 C ATOM 664 O ARG A 41 14.524 -17.645 -20.949 1.00 30.24 O ATOM 665 CB ARG A 41 13.523 -19.523 -23.568 1.00 44.11 C ATOM 666 CG ARG A 41 12.919 -18.816 -24.781 1.00 64.45 C ATOM 667 CD ARG A 41 13.757 -19.020 -26.035 1.00 53.44 C ATOM 668 NE ARG A 41 15.021 -18.296 -25.945 1.00 34.43 N ATOM 669 CZ ARG A 41 16.196 -18.816 -26.159 1.00 65.22 C ATOM 670 NH1 ARG A 41 16.325 -20.069 -26.461 1.00 12.33 N ATOM 671 NH2 ARG A 41 17.243 -18.074 -26.052 1.00 62.14 N ATOM 0 H ARG A 41 11.096 -19.435 -23.036 1.00 64.24 H new ATOM 0 HA ARG A 41 13.210 -19.709 -21.420 1.00 1.54 H new ATOM 0 HB2 ARG A 41 14.606 -19.402 -23.590 1.00 44.11 H new ATOM 0 HB3 ARG A 41 13.320 -20.591 -23.643 1.00 44.11 H new ATOM 0 HG2 ARG A 41 11.910 -19.191 -24.954 1.00 64.45 H new ATOM 0 HG3 ARG A 41 12.831 -17.750 -24.573 1.00 64.45 H new ATOM 0 HD2 ARG A 41 13.952 -20.083 -26.177 1.00 53.44 H new ATOM 0 HD3 ARG A 41 13.200 -18.679 -26.908 1.00 53.44 H new ATOM 0 HE ARG A 41 14.981 -17.308 -25.696 1.00 34.43 H new ATOM 0 HH11 ARG A 41 15.499 -20.664 -26.534 1.00 12.33 H new ATOM 0 HH12 ARG A 41 17.252 -20.461 -26.626 1.00 12.33 H new ATOM 0 HH21 ARG A 41 17.147 -17.090 -25.802 1.00 62.14 H new ATOM 0 HH22 ARG A 41 18.168 -18.470 -26.217 1.00 62.14 H new ATOM 685 N GLU A 42 13.363 -16.606 -22.571 1.00 13.21 N ATOM 686 CA GLU A 42 14.027 -15.310 -22.376 1.00 25.10 C ATOM 687 C GLU A 42 13.982 -14.848 -20.912 1.00 54.03 C ATOM 688 O GLU A 42 14.922 -14.229 -20.421 1.00 63.34 O ATOM 689 CB GLU A 42 13.391 -14.253 -23.285 1.00 74.44 C ATOM 690 CG GLU A 42 13.564 -14.542 -24.774 1.00 45.45 C ATOM 691 CD GLU A 42 15.025 -14.551 -25.212 1.00 61.25 C ATOM 692 OE1 GLU A 42 15.551 -13.477 -25.567 1.00 5.54 O ATOM 693 OE2 GLU A 42 15.655 -15.632 -25.208 1.00 15.11 O ATOM 0 H GLU A 42 12.635 -16.601 -23.286 1.00 13.21 H new ATOM 0 HA GLU A 42 15.076 -15.437 -22.642 1.00 25.10 H new ATOM 0 HB2 GLU A 42 12.327 -14.184 -23.058 1.00 74.44 H new ATOM 0 HB3 GLU A 42 13.829 -13.281 -23.059 1.00 74.44 H new ATOM 0 HG2 GLU A 42 13.115 -15.508 -25.006 1.00 45.45 H new ATOM 0 HG3 GLU A 42 13.022 -13.792 -25.350 1.00 45.45 H new ATOM 700 N TYR A 43 12.899 -15.161 -20.211 1.00 42.02 N ATOM 701 CA TYR A 43 12.773 -14.793 -18.797 1.00 52.14 C ATOM 702 C TYR A 43 13.457 -15.837 -17.902 1.00 53.15 C ATOM 703 O TYR A 43 13.904 -15.525 -16.798 1.00 12.44 O ATOM 704 CB TYR A 43 11.300 -14.623 -18.425 1.00 51.30 C ATOM 705 CG TYR A 43 10.557 -13.713 -19.385 1.00 74.40 C ATOM 706 CD1 TYR A 43 10.897 -12.370 -19.506 1.00 74.11 C ATOM 707 CD2 TYR A 43 9.537 -14.204 -20.188 1.00 20.52 C ATOM 708 CE1 TYR A 43 10.235 -11.547 -20.396 1.00 31.32 C ATOM 709 CE2 TYR A 43 8.876 -13.390 -21.081 1.00 42.21 C ATOM 710 CZ TYR A 43 9.225 -12.063 -21.182 1.00 60.40 C ATOM 711 OH TYR A 43 8.569 -11.252 -22.081 1.00 54.04 O ATOM 0 H TYR A 43 12.098 -15.665 -20.591 1.00 42.02 H new ATOM 0 HA TYR A 43 13.276 -13.839 -18.636 1.00 52.14 H new ATOM 0 HB2 TYR A 43 10.818 -15.600 -18.410 1.00 51.30 H new ATOM 0 HB3 TYR A 43 11.228 -14.217 -17.416 1.00 51.30 H new ATOM 0 HD1 TYR A 43 11.690 -11.965 -18.895 1.00 74.11 H new ATOM 0 HD2 TYR A 43 9.256 -15.244 -20.111 1.00 20.52 H new ATOM 0 HE1 TYR A 43 10.506 -10.505 -20.476 1.00 31.32 H new ATOM 0 HE2 TYR A 43 8.087 -13.792 -21.699 1.00 42.21 H new ATOM 0 HH TYR A 43 7.614 -11.226 -21.862 1.00 54.04 H new ATOM 721 N TYR A 44 13.551 -17.074 -18.398 1.00 3.25 N ATOM 722 CA TYR A 44 14.324 -18.125 -17.717 1.00 14.41 C ATOM 723 C TYR A 44 15.839 -17.864 -17.828 1.00 41.24 C ATOM 724 O TYR A 44 16.634 -18.527 -17.171 1.00 23.01 O ATOM 725 CB TYR A 44 14.005 -19.515 -18.294 1.00 73.43 C ATOM 726 CG TYR A 44 12.624 -20.051 -17.947 1.00 63.02 C ATOM 727 CD1 TYR A 44 12.159 -20.047 -16.634 1.00 24.23 C ATOM 728 CD2 TYR A 44 11.793 -20.578 -18.932 1.00 13.02 C ATOM 729 CE1 TYR A 44 10.908 -20.549 -16.316 1.00 73.23 C ATOM 730 CE2 TYR A 44 10.546 -21.084 -18.620 1.00 62.30 C ATOM 731 CZ TYR A 44 10.107 -21.067 -17.313 1.00 51.02 C ATOM 732 OH TYR A 44 8.864 -21.578 -17.003 1.00 14.22 O ATOM 0 H TYR A 44 13.105 -17.375 -19.265 1.00 3.25 H new ATOM 0 HA TYR A 44 14.035 -18.102 -16.666 1.00 14.41 H new ATOM 0 HB2 TYR A 44 14.100 -19.473 -19.379 1.00 73.43 H new ATOM 0 HB3 TYR A 44 14.754 -20.222 -17.936 1.00 73.43 H new ATOM 0 HD1 TYR A 44 12.785 -19.646 -15.851 1.00 24.23 H new ATOM 0 HD2 TYR A 44 12.129 -20.591 -19.958 1.00 13.02 H new ATOM 0 HE1 TYR A 44 10.561 -20.535 -15.293 1.00 73.23 H new ATOM 0 HE2 TYR A 44 9.917 -21.492 -19.397 1.00 62.30 H new ATOM 0 HH TYR A 44 8.181 -20.893 -17.158 1.00 14.22 H new ATOM 742 N GLU A 45 16.228 -16.910 -18.679 1.00 74.51 N ATOM 743 CA GLU A 45 17.641 -16.503 -18.810 1.00 52.32 C ATOM 744 C GLU A 45 18.088 -15.562 -17.669 1.00 52.43 C ATOM 745 O GLU A 45 19.152 -14.944 -17.746 1.00 13.42 O ATOM 746 CB GLU A 45 17.870 -15.816 -20.165 1.00 73.25 C ATOM 747 CG GLU A 45 17.583 -16.704 -21.373 1.00 72.15 C ATOM 748 CD GLU A 45 18.415 -17.979 -21.377 1.00 52.23 C ATOM 749 OE1 GLU A 45 19.622 -17.905 -21.698 1.00 73.41 O ATOM 750 OE2 GLU A 45 17.874 -19.057 -21.063 1.00 62.44 O ATOM 0 H GLU A 45 15.589 -16.402 -19.290 1.00 74.51 H new ATOM 0 HA GLU A 45 18.243 -17.409 -18.746 1.00 52.32 H new ATOM 0 HB2 GLU A 45 17.238 -14.929 -20.222 1.00 73.25 H new ATOM 0 HB3 GLU A 45 18.904 -15.475 -20.217 1.00 73.25 H new ATOM 0 HG2 GLU A 45 16.525 -16.966 -21.383 1.00 72.15 H new ATOM 0 HG3 GLU A 45 17.781 -16.143 -22.286 1.00 72.15 H new ATOM 757 N ASP A 46 17.264 -15.463 -16.622 1.00 52.13 N ATOM 758 CA ASP A 46 17.565 -14.663 -15.425 1.00 74.20 C ATOM 759 C ASP A 46 17.859 -13.188 -15.749 1.00 35.25 C ATOM 760 O ASP A 46 19.016 -12.769 -15.837 1.00 25.43 O ATOM 761 CB ASP A 46 18.733 -15.267 -14.639 1.00 14.15 C ATOM 762 CG ASP A 46 18.510 -16.730 -14.300 1.00 55.13 C ATOM 763 OD1 ASP A 46 17.467 -17.046 -13.685 1.00 51.40 O ATOM 764 OD2 ASP A 46 19.386 -17.560 -14.636 1.00 74.32 O ATOM 0 H ASP A 46 16.362 -15.938 -16.578 1.00 52.13 H new ATOM 0 HA ASP A 46 16.665 -14.688 -14.811 1.00 74.20 H new ATOM 0 HB2 ASP A 46 19.649 -15.168 -15.222 1.00 14.15 H new ATOM 0 HB3 ASP A 46 18.878 -14.702 -13.718 1.00 14.15 H new ATOM 769 N PHE A 47 16.802 -12.404 -15.940 1.00 24.42 N ATOM 770 CA PHE A 47 16.941 -10.954 -16.128 1.00 23.32 C ATOM 771 C PHE A 47 16.345 -10.179 -14.942 1.00 14.34 C ATOM 772 O PHE A 47 16.148 -8.969 -15.019 1.00 31.33 O ATOM 773 CB PHE A 47 16.278 -10.512 -17.445 1.00 22.11 C ATOM 774 CG PHE A 47 17.030 -10.953 -18.678 1.00 70.40 C ATOM 775 CD1 PHE A 47 18.351 -10.571 -18.872 1.00 1.21 C ATOM 776 CD2 PHE A 47 16.423 -11.750 -19.636 1.00 20.12 C ATOM 777 CE1 PHE A 47 19.048 -10.976 -19.995 1.00 20.45 C ATOM 778 CE2 PHE A 47 17.117 -12.158 -20.760 1.00 34.51 C ATOM 779 CZ PHE A 47 18.429 -11.771 -20.940 1.00 33.23 C ATOM 0 H PHE A 47 15.840 -12.742 -15.969 1.00 24.42 H new ATOM 0 HA PHE A 47 18.006 -10.726 -16.179 1.00 23.32 H new ATOM 0 HB2 PHE A 47 15.265 -10.913 -17.485 1.00 22.11 H new ATOM 0 HB3 PHE A 47 16.191 -9.425 -17.452 1.00 22.11 H new ATOM 0 HD1 PHE A 47 18.840 -9.950 -18.136 1.00 1.21 H new ATOM 0 HD2 PHE A 47 15.396 -12.056 -19.503 1.00 20.12 H new ATOM 0 HE1 PHE A 47 20.075 -10.671 -20.133 1.00 20.45 H new ATOM 0 HE2 PHE A 47 16.632 -12.780 -21.498 1.00 34.51 H new ATOM 0 HZ PHE A 47 18.971 -12.089 -21.818 1.00 33.23 H new ATOM 789 N GLY A 48 16.074 -10.885 -13.846 1.00 73.33 N ATOM 790 CA GLY A 48 15.504 -10.257 -12.655 1.00 14.41 C ATOM 791 C GLY A 48 14.855 -11.273 -11.720 1.00 31.00 C ATOM 792 O GLY A 48 13.942 -11.985 -12.124 1.00 63.21 O ATOM 0 H GLY A 48 16.239 -11.888 -13.757 1.00 73.33 H new ATOM 0 HA2 GLY A 48 16.288 -9.722 -12.119 1.00 14.41 H new ATOM 0 HA3 GLY A 48 14.762 -9.518 -12.956 1.00 14.41 H new ATOM 1115 N PRO A 71 -0.623 -18.227 -7.381 1.00 43.23 N ATOM 1116 CA PRO A 71 -1.822 -18.880 -7.970 1.00 44.03 C ATOM 1117 C PRO A 71 -3.107 -18.824 -7.104 1.00 21.53 C ATOM 1118 O PRO A 71 -4.171 -19.263 -7.544 1.00 24.44 O ATOM 1119 CB PRO A 71 -1.362 -20.331 -8.146 1.00 3.02 C ATOM 1120 CG PRO A 71 0.101 -20.220 -8.407 1.00 34.53 C ATOM 1121 CD PRO A 71 0.583 -19.074 -7.555 1.00 73.13 C ATOM 0 HA PRO A 71 -2.124 -18.367 -8.883 1.00 44.03 H new ATOM 0 HB2 PRO A 71 -1.564 -20.924 -7.254 1.00 3.02 H new ATOM 0 HB3 PRO A 71 -1.879 -20.815 -8.974 1.00 3.02 H new ATOM 0 HG2 PRO A 71 0.616 -21.145 -8.147 1.00 34.53 H new ATOM 0 HG3 PRO A 71 0.297 -20.032 -9.463 1.00 34.53 H new ATOM 0 HD2 PRO A 71 0.968 -19.423 -6.597 1.00 73.13 H new ATOM 0 HD3 PRO A 71 1.389 -18.526 -8.042 1.00 73.13 H new ATOM 1129 N LYS A 72 -3.012 -18.316 -5.878 1.00 71.10 N ATOM 1130 CA LYS A 72 -4.201 -18.049 -5.057 1.00 53.22 C ATOM 1131 C LYS A 72 -5.165 -17.082 -5.772 1.00 52.01 C ATOM 1132 O LYS A 72 -6.383 -17.271 -5.760 1.00 51.30 O ATOM 1133 CB LYS A 72 -3.776 -17.460 -3.706 1.00 1.21 C ATOM 1134 CG LYS A 72 -4.937 -17.051 -2.807 1.00 23.42 C ATOM 1135 CD LYS A 72 -4.446 -16.434 -1.501 1.00 72.23 C ATOM 1136 CE LYS A 72 -5.603 -16.027 -0.597 1.00 42.02 C ATOM 1137 NZ LYS A 72 -6.516 -17.165 -0.310 1.00 34.02 N ATOM 0 H LYS A 72 -2.128 -18.080 -5.427 1.00 71.10 H new ATOM 0 HA LYS A 72 -4.724 -18.991 -4.896 1.00 53.22 H new ATOM 0 HB2 LYS A 72 -3.165 -18.193 -3.179 1.00 1.21 H new ATOM 0 HB3 LYS A 72 -3.146 -16.589 -3.885 1.00 1.21 H new ATOM 0 HG2 LYS A 72 -5.570 -16.336 -3.332 1.00 23.42 H new ATOM 0 HG3 LYS A 72 -5.554 -17.923 -2.589 1.00 23.42 H new ATOM 0 HD2 LYS A 72 -3.810 -17.148 -0.978 1.00 72.23 H new ATOM 0 HD3 LYS A 72 -3.831 -15.561 -1.720 1.00 72.23 H new ATOM 0 HE2 LYS A 72 -5.209 -15.634 0.340 1.00 42.02 H new ATOM 0 HE3 LYS A 72 -6.166 -15.222 -1.069 1.00 42.02 H new ATOM 0 HZ1 LYS A 72 -7.142 -16.916 0.482 1.00 34.02 H new ATOM 0 HZ2 LYS A 72 -7.089 -17.371 -1.153 1.00 34.02 H new ATOM 0 HZ3 LYS A 72 -5.956 -18.004 -0.058 1.00 34.02 H new ATOM 1151 N LEU A 73 -4.606 -16.044 -6.398 1.00 65.13 N ATOM 1152 CA LEU A 73 -5.408 -15.041 -7.119 1.00 0.03 C ATOM 1153 C LEU A 73 -5.417 -15.309 -8.633 1.00 23.14 C ATOM 1154 O LEU A 73 -5.931 -14.505 -9.410 1.00 71.32 O ATOM 1155 CB LEU A 73 -4.878 -13.618 -6.851 1.00 72.13 C ATOM 1156 CG LEU A 73 -4.954 -13.121 -5.393 1.00 2.44 C ATOM 1157 CD1 LEU A 73 -6.356 -13.317 -4.819 1.00 75.11 C ATOM 1158 CD2 LEU A 73 -3.902 -13.802 -4.520 1.00 13.41 C ATOM 0 H LEU A 73 -3.601 -15.872 -6.423 1.00 65.13 H new ATOM 0 HA LEU A 73 -6.430 -15.119 -6.747 1.00 0.03 H new ATOM 0 HB2 LEU A 73 -3.837 -13.575 -7.173 1.00 72.13 H new ATOM 0 HB3 LEU A 73 -5.435 -12.922 -7.479 1.00 72.13 H new ATOM 0 HG LEU A 73 -4.740 -12.052 -5.395 1.00 2.44 H new ATOM 0 HD11 LEU A 73 -6.381 -12.958 -3.790 1.00 75.11 H new ATOM 0 HD12 LEU A 73 -7.075 -12.757 -5.416 1.00 75.11 H new ATOM 0 HD13 LEU A 73 -6.613 -14.376 -4.840 1.00 75.11 H new ATOM 0 HD21 LEU A 73 -3.981 -13.431 -3.498 1.00 13.41 H new ATOM 0 HD22 LEU A 73 -4.065 -14.880 -4.528 1.00 13.41 H new ATOM 0 HD23 LEU A 73 -2.908 -13.582 -4.910 1.00 13.41 H new ATOM 1170 N LEU A 74 -4.860 -16.445 -9.045 1.00 50.34 N ATOM 1171 CA LEU A 74 -4.763 -16.795 -10.469 1.00 75.24 C ATOM 1172 C LEU A 74 -5.211 -18.246 -10.720 1.00 51.21 C ATOM 1173 O LEU A 74 -4.628 -19.181 -10.169 1.00 42.42 O ATOM 1174 CB LEU A 74 -3.315 -16.604 -10.957 1.00 32.34 C ATOM 1175 CG LEU A 74 -3.067 -16.898 -12.451 1.00 75.12 C ATOM 1176 CD1 LEU A 74 -3.856 -15.932 -13.335 1.00 35.42 C ATOM 1177 CD2 LEU A 74 -1.574 -16.832 -12.775 1.00 31.44 C ATOM 0 H LEU A 74 -4.466 -17.144 -8.415 1.00 50.34 H new ATOM 0 HA LEU A 74 -5.427 -16.134 -11.026 1.00 75.24 H new ATOM 0 HB2 LEU A 74 -3.015 -15.576 -10.754 1.00 32.34 H new ATOM 0 HB3 LEU A 74 -2.664 -17.249 -10.366 1.00 32.34 H new ATOM 0 HG LEU A 74 -3.417 -17.909 -12.659 1.00 75.12 H new ATOM 0 HD11 LEU A 74 -3.665 -16.159 -14.384 1.00 35.42 H new ATOM 0 HD12 LEU A 74 -4.921 -16.038 -13.129 1.00 35.42 H new ATOM 0 HD13 LEU A 74 -3.546 -14.909 -13.123 1.00 35.42 H new ATOM 0 HD21 LEU A 74 -1.422 -17.042 -13.834 1.00 31.44 H new ATOM 0 HD22 LEU A 74 -1.195 -15.836 -12.545 1.00 31.44 H new ATOM 0 HD23 LEU A 74 -1.039 -17.570 -12.178 1.00 31.44 H new ATOM 1189 N PRO A 75 -6.263 -18.457 -11.538 1.00 22.31 N ATOM 1190 CA PRO A 75 -6.716 -19.810 -11.917 1.00 12.42 C ATOM 1191 C PRO A 75 -5.605 -20.626 -12.600 1.00 54.45 C ATOM 1192 O PRO A 75 -4.833 -20.097 -13.405 1.00 10.23 O ATOM 1193 CB PRO A 75 -7.882 -19.547 -12.886 1.00 63.11 C ATOM 1194 CG PRO A 75 -7.731 -18.123 -13.310 1.00 41.42 C ATOM 1195 CD PRO A 75 -7.098 -17.410 -12.149 1.00 4.25 C ATOM 0 HA PRO A 75 -7.004 -20.402 -11.048 1.00 12.42 H new ATOM 0 HB2 PRO A 75 -7.840 -20.219 -13.743 1.00 63.11 H new ATOM 0 HB3 PRO A 75 -8.843 -19.712 -12.399 1.00 63.11 H new ATOM 0 HG2 PRO A 75 -7.109 -18.045 -14.202 1.00 41.42 H new ATOM 0 HG3 PRO A 75 -8.698 -17.685 -13.557 1.00 41.42 H new ATOM 0 HD2 PRO A 75 -6.503 -16.557 -12.474 1.00 4.25 H new ATOM 0 HD3 PRO A 75 -7.845 -17.030 -11.452 1.00 4.25 H new ATOM 1203 N TYR A 76 -5.527 -21.918 -12.284 1.00 23.31 N ATOM 1204 CA TYR A 76 -4.429 -22.752 -12.779 1.00 53.22 C ATOM 1205 C TYR A 76 -4.557 -23.056 -14.281 1.00 34.53 C ATOM 1206 O TYR A 76 -5.298 -23.954 -14.692 1.00 64.12 O ATOM 1207 CB TYR A 76 -4.338 -24.067 -11.986 1.00 53.53 C ATOM 1208 CG TYR A 76 -3.204 -24.975 -12.443 1.00 50.24 C ATOM 1209 CD1 TYR A 76 -1.896 -24.751 -12.023 1.00 55.53 C ATOM 1210 CD2 TYR A 76 -3.439 -26.043 -13.307 1.00 54.30 C ATOM 1211 CE1 TYR A 76 -0.860 -25.562 -12.445 1.00 32.32 C ATOM 1212 CE2 TYR A 76 -2.406 -26.857 -13.734 1.00 61.04 C ATOM 1213 CZ TYR A 76 -1.119 -26.612 -13.300 1.00 51.41 C ATOM 1214 OH TYR A 76 -0.087 -27.418 -13.731 1.00 12.11 O ATOM 0 H TYR A 76 -6.201 -22.407 -11.695 1.00 23.31 H new ATOM 0 HA TYR A 76 -3.513 -22.180 -12.633 1.00 53.22 H new ATOM 0 HB2 TYR A 76 -4.204 -23.836 -10.929 1.00 53.53 H new ATOM 0 HB3 TYR A 76 -5.282 -24.604 -12.078 1.00 53.53 H new ATOM 0 HD1 TYR A 76 -1.687 -23.928 -11.355 1.00 55.53 H new ATOM 0 HD2 TYR A 76 -4.445 -26.238 -13.649 1.00 54.30 H new ATOM 0 HE1 TYR A 76 0.148 -25.374 -12.107 1.00 32.32 H new ATOM 0 HE2 TYR A 76 -2.605 -27.680 -14.404 1.00 61.04 H new ATOM 0 HH TYR A 76 -0.440 -28.111 -14.327 1.00 12.11 H new ATOM 1224 N ASP A 77 -3.849 -22.283 -15.095 1.00 41.03 N ATOM 1225 CA ASP A 77 -3.632 -22.623 -16.502 1.00 0.33 C ATOM 1226 C ASP A 77 -2.230 -23.227 -16.670 1.00 52.12 C ATOM 1227 O ASP A 77 -1.277 -22.750 -16.058 1.00 63.21 O ATOM 1228 CB ASP A 77 -3.800 -21.386 -17.392 1.00 74.32 C ATOM 1229 CG ASP A 77 -5.237 -20.896 -17.435 1.00 44.53 C ATOM 1230 OD1 ASP A 77 -6.068 -21.549 -18.101 1.00 41.15 O ATOM 1231 OD2 ASP A 77 -5.544 -19.852 -16.821 1.00 11.20 O ATOM 0 H ASP A 77 -3.411 -21.409 -14.805 1.00 41.03 H new ATOM 0 HA ASP A 77 -4.376 -23.357 -16.810 1.00 0.33 H new ATOM 0 HB2 ASP A 77 -3.157 -20.587 -17.024 1.00 74.32 H new ATOM 0 HB3 ASP A 77 -3.469 -21.621 -18.403 1.00 74.32 H new ATOM 1236 N LYS A 78 -2.112 -24.265 -17.499 1.00 70.34 N ATOM 1237 CA LYS A 78 -0.869 -25.051 -17.615 1.00 74.33 C ATOM 1238 C LYS A 78 0.402 -24.179 -17.698 1.00 12.21 C ATOM 1239 O LYS A 78 1.133 -24.040 -16.714 1.00 54.23 O ATOM 1240 CB LYS A 78 -0.946 -25.993 -18.829 1.00 33.33 C ATOM 1241 CG LYS A 78 -2.088 -27.005 -18.745 1.00 23.53 C ATOM 1242 CD LYS A 78 -1.929 -27.952 -17.554 1.00 74.14 C ATOM 1243 CE LYS A 78 -0.715 -28.864 -17.704 1.00 13.14 C ATOM 1244 NZ LYS A 78 -0.867 -29.811 -18.841 1.00 53.14 N ATOM 0 H LYS A 78 -2.865 -24.588 -18.107 1.00 70.34 H new ATOM 0 HA LYS A 78 -0.786 -25.634 -16.698 1.00 74.33 H new ATOM 0 HB2 LYS A 78 -1.065 -25.397 -19.734 1.00 33.33 H new ATOM 0 HB3 LYS A 78 -0.002 -26.530 -18.923 1.00 33.33 H new ATOM 0 HG2 LYS A 78 -3.037 -26.475 -18.662 1.00 23.53 H new ATOM 0 HG3 LYS A 78 -2.127 -27.585 -19.667 1.00 23.53 H new ATOM 0 HD2 LYS A 78 -1.833 -27.369 -16.638 1.00 74.14 H new ATOM 0 HD3 LYS A 78 -2.828 -28.560 -17.452 1.00 74.14 H new ATOM 0 HE2 LYS A 78 0.178 -28.257 -17.854 1.00 13.14 H new ATOM 0 HE3 LYS A 78 -0.567 -29.426 -16.782 1.00 13.14 H new ATOM 0 HZ1 LYS A 78 -0.127 -30.540 -18.787 1.00 53.14 H new ATOM 0 HZ2 LYS A 78 -1.802 -30.263 -18.793 1.00 53.14 H new ATOM 0 HZ3 LYS A 78 -0.778 -29.293 -19.738 1.00 53.14 H new ATOM 1258 N ARG A 79 0.659 -23.580 -18.859 1.00 33.14 N ATOM 1259 CA ARG A 79 1.888 -22.800 -19.056 1.00 51.45 C ATOM 1260 C ARG A 79 1.865 -21.490 -18.245 1.00 53.11 C ATOM 1261 O ARG A 79 2.892 -21.059 -17.720 1.00 31.15 O ATOM 1262 CB ARG A 79 2.119 -22.510 -20.553 1.00 1.22 C ATOM 1263 CG ARG A 79 1.048 -21.639 -21.202 1.00 44.43 C ATOM 1264 CD ARG A 79 1.282 -21.461 -22.702 1.00 63.20 C ATOM 1265 NE ARG A 79 2.578 -20.850 -23.003 1.00 42.12 N ATOM 1266 CZ ARG A 79 2.963 -20.494 -24.202 1.00 64.25 C ATOM 1267 NH1 ARG A 79 2.177 -20.637 -25.226 1.00 41.33 N ATOM 1268 NH2 ARG A 79 4.136 -19.983 -24.376 1.00 24.23 N ATOM 0 H ARG A 79 0.043 -23.616 -19.671 1.00 33.14 H new ATOM 0 HA ARG A 79 2.720 -23.401 -18.688 1.00 51.45 H new ATOM 0 HB2 ARG A 79 3.086 -22.022 -20.670 1.00 1.22 H new ATOM 0 HB3 ARG A 79 2.173 -23.457 -21.089 1.00 1.22 H new ATOM 0 HG2 ARG A 79 0.068 -22.088 -21.039 1.00 44.43 H new ATOM 0 HG3 ARG A 79 1.035 -20.662 -20.719 1.00 44.43 H new ATOM 0 HD2 ARG A 79 1.220 -22.432 -23.193 1.00 63.20 H new ATOM 0 HD3 ARG A 79 0.487 -20.842 -23.119 1.00 63.20 H new ATOM 0 HE ARG A 79 3.222 -20.692 -22.228 1.00 42.12 H new ATOM 0 HH11 ARG A 79 1.245 -21.032 -25.102 1.00 41.33 H new ATOM 0 HH12 ARG A 79 2.492 -20.355 -26.154 1.00 41.33 H new ATOM 0 HH21 ARG A 79 4.761 -19.857 -23.580 1.00 24.23 H new ATOM 0 HH22 ARG A 79 4.438 -19.705 -25.310 1.00 24.23 H new ATOM 1282 N LEU A 80 0.689 -20.874 -18.120 1.00 41.13 N ATOM 1283 CA LEU A 80 0.558 -19.600 -17.394 1.00 30.25 C ATOM 1284 C LEU A 80 0.936 -19.755 -15.910 1.00 1.34 C ATOM 1285 O LEU A 80 1.892 -19.139 -15.430 1.00 51.11 O ATOM 1286 CB LEU A 80 -0.877 -19.044 -17.506 1.00 12.24 C ATOM 1287 CG LEU A 80 -1.335 -18.601 -18.912 1.00 0.33 C ATOM 1288 CD1 LEU A 80 -0.311 -17.670 -19.552 1.00 33.51 C ATOM 1289 CD2 LEU A 80 -1.618 -19.801 -19.812 1.00 12.24 C ATOM 0 H LEU A 80 -0.185 -21.230 -18.508 1.00 41.13 H new ATOM 0 HA LEU A 80 1.250 -18.896 -17.857 1.00 30.25 H new ATOM 0 HB2 LEU A 80 -1.568 -19.807 -17.147 1.00 12.24 H new ATOM 0 HB3 LEU A 80 -0.966 -18.191 -16.833 1.00 12.24 H new ATOM 0 HG LEU A 80 -2.268 -18.050 -18.795 1.00 0.33 H new ATOM 0 HD11 LEU A 80 -0.658 -17.373 -20.542 1.00 33.51 H new ATOM 0 HD12 LEU A 80 -0.186 -16.784 -18.930 1.00 33.51 H new ATOM 0 HD13 LEU A 80 0.644 -18.187 -19.643 1.00 33.51 H new ATOM 0 HD21 LEU A 80 -1.938 -19.452 -20.794 1.00 12.24 H new ATOM 0 HD22 LEU A 80 -0.713 -20.399 -19.917 1.00 12.24 H new ATOM 0 HD23 LEU A 80 -2.406 -20.410 -19.369 1.00 12.24 H new ATOM 1301 N ALA A 81 0.187 -20.592 -15.194 1.00 10.04 N ATOM 1302 CA ALA A 81 0.400 -20.796 -13.757 1.00 72.22 C ATOM 1303 C ALA A 81 1.780 -21.401 -13.459 1.00 13.33 C ATOM 1304 O ALA A 81 2.412 -21.042 -12.467 1.00 22.23 O ATOM 1305 CB ALA A 81 -0.702 -21.673 -13.178 1.00 70.41 C ATOM 0 H ALA A 81 -0.577 -21.143 -15.585 1.00 10.04 H new ATOM 0 HA ALA A 81 0.365 -19.817 -13.279 1.00 72.22 H new ATOM 0 HB1 ALA A 81 -0.531 -21.816 -12.111 1.00 70.41 H new ATOM 0 HB2 ALA A 81 -1.668 -21.191 -13.329 1.00 70.41 H new ATOM 0 HB3 ALA A 81 -0.697 -22.641 -13.679 1.00 70.41 H new ATOM 1311 N TRP A 82 2.242 -22.319 -14.314 1.00 40.22 N ATOM 1312 CA TRP A 82 3.587 -22.901 -14.172 1.00 31.14 C ATOM 1313 C TRP A 82 4.661 -21.798 -14.139 1.00 31.55 C ATOM 1314 O TRP A 82 5.553 -21.798 -13.289 1.00 15.43 O ATOM 1315 CB TRP A 82 3.874 -23.878 -15.325 1.00 34.53 C ATOM 1316 CG TRP A 82 5.201 -24.577 -15.212 1.00 64.31 C ATOM 1317 CD1 TRP A 82 6.416 -24.114 -15.635 1.00 64.32 C ATOM 1318 CD2 TRP A 82 5.443 -25.863 -14.633 1.00 45.43 C ATOM 1319 NE1 TRP A 82 7.394 -25.029 -15.344 1.00 21.21 N ATOM 1320 CE2 TRP A 82 6.824 -26.111 -14.733 1.00 3.12 C ATOM 1321 CE3 TRP A 82 4.627 -26.828 -14.038 1.00 51.44 C ATOM 1322 CZ2 TRP A 82 7.405 -27.281 -14.259 1.00 21.33 C ATOM 1323 CZ3 TRP A 82 5.205 -27.991 -13.569 1.00 13.23 C ATOM 1324 CH2 TRP A 82 6.584 -28.209 -13.681 1.00 74.24 C ATOM 0 H TRP A 82 1.711 -22.676 -15.108 1.00 40.22 H new ATOM 0 HA TRP A 82 3.621 -23.446 -13.229 1.00 31.14 H new ATOM 0 HB2 TRP A 82 3.082 -24.626 -15.361 1.00 34.53 H new ATOM 0 HB3 TRP A 82 3.840 -23.332 -16.268 1.00 34.53 H new ATOM 0 HD1 TRP A 82 6.581 -23.166 -16.126 1.00 64.32 H new ATOM 0 HE1 TRP A 82 8.387 -24.920 -15.550 1.00 21.21 H new ATOM 0 HE3 TRP A 82 3.563 -26.667 -13.946 1.00 51.44 H new ATOM 0 HZ2 TRP A 82 8.468 -27.451 -14.344 1.00 21.33 H new ATOM 0 HZ3 TRP A 82 4.584 -28.745 -13.108 1.00 13.23 H new ATOM 0 HH2 TRP A 82 7.007 -29.128 -13.303 1.00 74.24 H new ATOM 1335 N HIS A 83 4.553 -20.851 -15.066 1.00 31.23 N ATOM 1336 CA HIS A 83 5.510 -19.746 -15.163 1.00 30.51 C ATOM 1337 C HIS A 83 5.507 -18.862 -13.901 1.00 63.12 C ATOM 1338 O HIS A 83 6.551 -18.653 -13.271 1.00 30.24 O ATOM 1339 CB HIS A 83 5.201 -18.908 -16.407 1.00 1.23 C ATOM 1340 CG HIS A 83 5.522 -19.614 -17.691 1.00 3.31 C ATOM 1341 ND1 HIS A 83 6.514 -20.563 -17.802 1.00 63.24 N ATOM 1342 CD2 HIS A 83 4.975 -19.508 -18.926 1.00 71.24 C ATOM 1343 CE1 HIS A 83 6.560 -21.006 -19.040 1.00 44.44 C ATOM 1344 NE2 HIS A 83 5.639 -20.385 -19.743 1.00 64.14 N ATOM 0 H HIS A 83 3.810 -20.824 -15.765 1.00 31.23 H new ATOM 0 HA HIS A 83 6.509 -20.173 -15.248 1.00 30.51 H new ATOM 0 HB2 HIS A 83 4.145 -18.639 -16.402 1.00 1.23 H new ATOM 0 HB3 HIS A 83 5.767 -17.978 -16.360 1.00 1.23 H new ATOM 0 HD2 HIS A 83 4.165 -18.853 -19.213 1.00 71.24 H new ATOM 0 HE1 HIS A 83 7.241 -21.755 -19.416 1.00 44.44 H new ATOM 0 HE2 HIS A 83 5.450 -20.532 -20.734 1.00 64.14 H new ATOM 1353 N PHE A 84 4.333 -18.355 -13.525 1.00 13.42 N ATOM 1354 CA PHE A 84 4.208 -17.527 -12.317 1.00 20.43 C ATOM 1355 C PHE A 84 4.565 -18.314 -11.049 1.00 61.41 C ATOM 1356 O PHE A 84 5.001 -17.736 -10.054 1.00 63.32 O ATOM 1357 CB PHE A 84 2.799 -16.930 -12.210 1.00 0.21 C ATOM 1358 CG PHE A 84 2.578 -15.786 -13.168 1.00 73.01 C ATOM 1359 CD1 PHE A 84 2.881 -14.485 -12.789 1.00 65.42 C ATOM 1360 CD2 PHE A 84 2.088 -16.009 -14.447 1.00 71.22 C ATOM 1361 CE1 PHE A 84 2.698 -13.431 -13.663 1.00 1.50 C ATOM 1362 CE2 PHE A 84 1.902 -14.958 -15.324 1.00 44.51 C ATOM 1363 CZ PHE A 84 2.208 -13.667 -14.933 1.00 2.13 C ATOM 0 H PHE A 84 3.460 -18.499 -14.032 1.00 13.42 H new ATOM 0 HA PHE A 84 4.923 -16.709 -12.405 1.00 20.43 H new ATOM 0 HB2 PHE A 84 2.063 -17.710 -12.405 1.00 0.21 H new ATOM 0 HB3 PHE A 84 2.632 -16.582 -11.190 1.00 0.21 H new ATOM 0 HD1 PHE A 84 3.265 -14.295 -11.798 1.00 65.42 H new ATOM 0 HD2 PHE A 84 1.850 -17.015 -14.760 1.00 71.22 H new ATOM 0 HE1 PHE A 84 2.938 -12.424 -13.354 1.00 1.50 H new ATOM 0 HE2 PHE A 84 1.517 -15.145 -16.316 1.00 44.51 H new ATOM 0 HZ PHE A 84 2.064 -12.845 -15.619 1.00 2.13 H new ATOM 1373 N LYS A 85 4.380 -19.632 -11.091 1.00 11.43 N ATOM 1374 CA LYS A 85 4.839 -20.515 -10.012 1.00 0.43 C ATOM 1375 C LYS A 85 6.349 -20.348 -9.790 1.00 53.23 C ATOM 1376 O LYS A 85 6.796 -20.105 -8.672 1.00 70.30 O ATOM 1377 CB LYS A 85 4.515 -21.981 -10.343 1.00 52.14 C ATOM 1378 CG LYS A 85 5.065 -22.988 -9.334 1.00 43.10 C ATOM 1379 CD LYS A 85 4.739 -24.428 -9.731 1.00 62.20 C ATOM 1380 CE LYS A 85 5.325 -24.792 -11.093 1.00 22.44 C ATOM 1381 NZ LYS A 85 6.814 -24.819 -11.078 1.00 51.04 N ATOM 0 H LYS A 85 3.916 -20.116 -11.860 1.00 11.43 H new ATOM 0 HA LYS A 85 4.316 -20.239 -9.096 1.00 0.43 H new ATOM 0 HB2 LYS A 85 3.433 -22.098 -10.403 1.00 52.14 H new ATOM 0 HB3 LYS A 85 4.916 -22.216 -11.329 1.00 52.14 H new ATOM 0 HG2 LYS A 85 6.146 -22.869 -9.254 1.00 43.10 H new ATOM 0 HG3 LYS A 85 4.648 -22.780 -8.349 1.00 43.10 H new ATOM 0 HD2 LYS A 85 5.128 -25.110 -8.975 1.00 62.20 H new ATOM 0 HD3 LYS A 85 3.657 -24.562 -9.754 1.00 62.20 H new ATOM 0 HE2 LYS A 85 4.949 -25.768 -11.399 1.00 22.44 H new ATOM 0 HE3 LYS A 85 4.984 -24.072 -11.837 1.00 22.44 H new ATOM 0 HZ1 LYS A 85 7.174 -24.646 -12.038 1.00 51.04 H new ATOM 0 HZ2 LYS A 85 7.168 -24.080 -10.437 1.00 51.04 H new ATOM 0 HZ3 LYS A 85 7.141 -25.749 -10.748 1.00 51.04 H new ATOM 1395 N GLU A 86 7.125 -20.462 -10.868 1.00 3.35 N ATOM 1396 CA GLU A 86 8.584 -20.281 -10.800 1.00 71.12 C ATOM 1397 C GLU A 86 8.970 -18.907 -10.217 1.00 3.03 C ATOM 1398 O GLU A 86 9.781 -18.828 -9.291 1.00 71.11 O ATOM 1399 CB GLU A 86 9.219 -20.490 -12.190 1.00 72.44 C ATOM 1400 CG GLU A 86 9.900 -21.851 -12.367 1.00 71.34 C ATOM 1401 CD GLU A 86 8.998 -23.029 -12.016 1.00 44.42 C ATOM 1402 OE1 GLU A 86 8.940 -23.410 -10.827 1.00 61.15 O ATOM 1403 OE2 GLU A 86 8.343 -23.583 -12.925 1.00 74.25 O ATOM 0 H GLU A 86 6.773 -20.679 -11.800 1.00 3.35 H new ATOM 0 HA GLU A 86 8.977 -21.037 -10.120 1.00 71.12 H new ATOM 0 HB2 GLU A 86 8.446 -20.380 -12.951 1.00 72.44 H new ATOM 0 HB3 GLU A 86 9.953 -19.703 -12.365 1.00 72.44 H new ATOM 0 HG2 GLU A 86 10.231 -21.952 -13.401 1.00 71.34 H new ATOM 0 HG3 GLU A 86 10.792 -21.887 -11.742 1.00 71.34 H new ATOM 1410 N PHE A 87 8.388 -17.824 -10.741 1.00 12.53 N ATOM 1411 CA PHE A 87 8.651 -16.481 -10.189 1.00 60.13 C ATOM 1412 C PHE A 87 8.182 -16.357 -8.725 1.00 31.33 C ATOM 1413 O PHE A 87 8.730 -15.566 -7.954 1.00 64.32 O ATOM 1414 CB PHE A 87 8.006 -15.378 -11.052 1.00 23.30 C ATOM 1415 CG PHE A 87 8.908 -14.859 -12.147 1.00 21.23 C ATOM 1416 CD1 PHE A 87 10.096 -14.212 -11.829 1.00 45.32 C ATOM 1417 CD2 PHE A 87 8.569 -14.999 -13.485 1.00 12.32 C ATOM 1418 CE1 PHE A 87 10.922 -13.718 -12.821 1.00 44.51 C ATOM 1419 CE2 PHE A 87 9.395 -14.508 -14.479 1.00 62.24 C ATOM 1420 CZ PHE A 87 10.570 -13.866 -14.147 1.00 15.33 C ATOM 0 H PHE A 87 7.743 -17.843 -11.531 1.00 12.53 H new ATOM 0 HA PHE A 87 9.732 -16.344 -10.208 1.00 60.13 H new ATOM 0 HB2 PHE A 87 7.092 -15.768 -11.500 1.00 23.30 H new ATOM 0 HB3 PHE A 87 7.716 -14.548 -10.408 1.00 23.30 H new ATOM 0 HD1 PHE A 87 10.378 -14.094 -10.793 1.00 45.32 H new ATOM 0 HD2 PHE A 87 7.649 -15.497 -13.753 1.00 12.32 H new ATOM 0 HE1 PHE A 87 11.842 -13.217 -12.559 1.00 44.51 H new ATOM 0 HE2 PHE A 87 9.120 -14.627 -15.517 1.00 62.24 H new ATOM 0 HZ PHE A 87 11.213 -13.480 -14.924 1.00 15.33 H new ATOM 1430 N CYS A 88 7.182 -17.149 -8.343 1.00 35.41 N ATOM 1431 CA CYS A 88 6.650 -17.127 -6.970 1.00 23.31 C ATOM 1432 C CYS A 88 7.148 -18.323 -6.137 1.00 15.21 C ATOM 1433 O CYS A 88 6.704 -18.529 -5.007 1.00 71.44 O ATOM 1434 CB CYS A 88 5.118 -17.125 -6.999 1.00 75.24 C ATOM 1435 SG CYS A 88 4.347 -17.035 -5.365 1.00 62.05 S ATOM 0 H CYS A 88 6.720 -17.816 -8.961 1.00 35.41 H new ATOM 0 HA CYS A 88 7.014 -16.215 -6.496 1.00 23.31 H new ATOM 0 HB2 CYS A 88 4.778 -16.279 -7.596 1.00 75.24 H new ATOM 0 HB3 CYS A 88 4.774 -18.029 -7.502 1.00 75.24 H new ATOM 0 HG CYS A 88 5.092 -17.655 -4.499 1.00 62.05 H new ATOM 1441 N TYR A 89 8.075 -19.098 -6.695 1.00 42.02 N ATOM 1442 CA TYR A 89 8.618 -20.300 -6.034 1.00 24.21 C ATOM 1443 C TYR A 89 9.590 -19.945 -4.883 1.00 53.51 C ATOM 1444 O TYR A 89 10.642 -20.566 -4.733 1.00 22.43 O ATOM 1445 CB TYR A 89 9.327 -21.173 -7.087 1.00 72.45 C ATOM 1446 CG TYR A 89 9.433 -22.644 -6.721 1.00 63.01 C ATOM 1447 CD1 TYR A 89 8.357 -23.503 -6.925 1.00 32.31 C ATOM 1448 CD2 TYR A 89 10.602 -23.177 -6.183 1.00 4.21 C ATOM 1449 CE1 TYR A 89 8.441 -24.843 -6.604 1.00 44.14 C ATOM 1450 CE2 TYR A 89 10.692 -24.517 -5.859 1.00 54.01 C ATOM 1451 CZ TYR A 89 9.608 -25.346 -6.072 1.00 44.23 C ATOM 1452 OH TYR A 89 9.692 -26.686 -5.749 1.00 5.52 O ATOM 0 H TYR A 89 8.475 -18.918 -7.616 1.00 42.02 H new ATOM 0 HA TYR A 89 7.789 -20.849 -5.588 1.00 24.21 H new ATOM 0 HB2 TYR A 89 8.792 -21.085 -8.033 1.00 72.45 H new ATOM 0 HB3 TYR A 89 10.330 -20.779 -7.250 1.00 72.45 H new ATOM 0 HD1 TYR A 89 7.440 -23.114 -7.342 1.00 32.31 H new ATOM 0 HD2 TYR A 89 11.452 -22.532 -6.016 1.00 4.21 H new ATOM 0 HE1 TYR A 89 7.595 -25.494 -6.769 1.00 44.14 H new ATOM 0 HE2 TYR A 89 11.605 -24.914 -5.441 1.00 54.01 H new ATOM 0 HH TYR A 89 10.581 -26.880 -5.386 1.00 5.52 H new ATOM 1462 N LYS A 90 9.221 -18.961 -4.060 1.00 15.14 N ATOM 1463 CA LYS A 90 10.052 -18.530 -2.926 1.00 51.50 C ATOM 1464 C LYS A 90 10.344 -19.715 -1.980 1.00 72.41 C ATOM 1465 O LYS A 90 9.534 -20.056 -1.114 1.00 63.13 O ATOM 1466 CB LYS A 90 9.345 -17.379 -2.177 1.00 40.33 C ATOM 1467 CG LYS A 90 10.248 -16.523 -1.278 1.00 42.10 C ATOM 1468 CD LYS A 90 10.677 -17.244 0.001 1.00 11.32 C ATOM 1469 CE LYS A 90 11.420 -16.310 0.952 1.00 61.24 C ATOM 1470 NZ LYS A 90 12.650 -15.746 0.340 1.00 34.52 N ATOM 0 H LYS A 90 8.348 -18.443 -4.156 1.00 15.14 H new ATOM 0 HA LYS A 90 11.009 -18.168 -3.301 1.00 51.50 H new ATOM 0 HB2 LYS A 90 8.871 -16.728 -2.911 1.00 40.33 H new ATOM 0 HB3 LYS A 90 8.549 -17.802 -1.565 1.00 40.33 H new ATOM 0 HG2 LYS A 90 11.136 -16.230 -1.838 1.00 42.10 H new ATOM 0 HG3 LYS A 90 9.722 -15.606 -1.012 1.00 42.10 H new ATOM 0 HD2 LYS A 90 9.798 -17.650 0.502 1.00 11.32 H new ATOM 0 HD3 LYS A 90 11.317 -18.088 -0.254 1.00 11.32 H new ATOM 0 HE2 LYS A 90 10.759 -15.496 1.249 1.00 61.24 H new ATOM 0 HE3 LYS A 90 11.684 -16.854 1.859 1.00 61.24 H new ATOM 0 HZ1 LYS A 90 13.165 -15.186 1.049 1.00 34.52 H new ATOM 0 HZ2 LYS A 90 13.257 -16.521 0.003 1.00 34.52 H new ATOM 0 HZ3 LYS A 90 12.391 -15.135 -0.461 1.00 34.52 H new ATOM 1484 N THR A 91 11.503 -20.344 -2.172 1.00 41.11 N ATOM 1485 CA THR A 91 11.891 -21.539 -1.407 1.00 45.32 C ATOM 1486 C THR A 91 13.392 -21.521 -1.084 1.00 4.23 C ATOM 1487 O THR A 91 14.172 -20.855 -1.767 1.00 73.41 O ATOM 1488 CB THR A 91 11.573 -22.840 -2.200 1.00 64.53 C ATOM 1489 OG1 THR A 91 10.227 -22.806 -2.701 1.00 23.04 O ATOM 1490 CG2 THR A 91 11.750 -24.085 -1.332 1.00 11.31 C ATOM 0 H THR A 91 12.198 -20.046 -2.856 1.00 41.11 H new ATOM 0 HA THR A 91 11.315 -21.526 -0.481 1.00 45.32 H new ATOM 0 HB THR A 91 12.276 -22.891 -3.031 1.00 64.53 H new ATOM 0 HG1 THR A 91 10.157 -22.128 -3.405 1.00 23.04 H new ATOM 0 HG21 THR A 91 11.519 -24.974 -1.919 1.00 11.31 H new ATOM 0 HG22 THR A 91 12.780 -24.140 -0.980 1.00 11.31 H new ATOM 0 HG23 THR A 91 11.077 -24.031 -0.476 1.00 11.31 H new ATOM 1498 N SER A 92 13.794 -22.243 -0.037 1.00 62.03 N ATOM 1499 CA SER A 92 15.216 -22.381 0.309 1.00 73.30 C ATOM 1500 C SER A 92 16.006 -23.038 -0.835 1.00 53.41 C ATOM 1501 O SER A 92 15.976 -24.260 -1.009 1.00 33.22 O ATOM 1502 CB SER A 92 15.383 -23.204 1.596 1.00 63.25 C ATOM 1503 OG SER A 92 14.849 -24.515 1.452 1.00 30.25 O ATOM 0 H SER A 92 13.159 -22.741 0.587 1.00 62.03 H new ATOM 0 HA SER A 92 15.614 -21.379 0.473 1.00 73.30 H new ATOM 0 HB2 SER A 92 16.440 -23.267 1.853 1.00 63.25 H new ATOM 0 HB3 SER A 92 14.884 -22.696 2.421 1.00 63.25 H new ATOM 0 HG SER A 92 15.046 -24.851 0.553 1.00 30.25 H new ATOM 1509 N ALA A 93 16.688 -22.215 -1.627 1.00 74.34 N ATOM 1510 CA ALA A 93 17.500 -22.702 -2.749 1.00 2.20 C ATOM 1511 C ALA A 93 18.749 -21.833 -2.957 1.00 2.52 C ATOM 1512 O ALA A 93 18.918 -20.801 -2.300 1.00 33.05 O ATOM 1513 CB ALA A 93 16.665 -22.743 -4.025 1.00 44.10 C ATOM 0 H ALA A 93 16.697 -21.201 -1.515 1.00 74.34 H new ATOM 0 HA ALA A 93 17.833 -23.712 -2.508 1.00 2.20 H new ATOM 0 HB1 ALA A 93 17.278 -23.106 -4.850 1.00 44.10 H new ATOM 0 HB2 ALA A 93 15.816 -23.412 -3.883 1.00 44.10 H new ATOM 0 HB3 ALA A 93 16.303 -21.741 -4.255 1.00 44.10 H new