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 11 GLN : amide:sc= -0.174 K(o=-0.39,f=-1.7) USER MOD Set 1.2: A 19 TYR OH : rot -130:sc= -0.221 USER MOD Set 2.1: A 8 LYS NZ :NH3+ -144:sc= -0.927! (180deg=-3.67!) USER MOD Set 2.2: A 21 SER OG : rot 30:sc= -1.3! USER MOD Single : A 2 SER OG : rot -34:sc= 0.0443 USER MOD Single : A 4 MET CE :methyl -154:sc= -0.158 (180deg=-0.728) USER MOD Single : A 5 GLN : amide:sc= -0.712 X(o=-0.71,f=-0.66) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 ASN : amide:sc= -2.4! K(o=-2.4!,f=-1.7) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -0.288 X(o=-0.29,f=-0.71) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= 0.693 K(o=0.69,f=-0.59) 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 : amide:sc= -0.137 K(o=-0.14,f=-0.65) USER MOD Single : A 34 THR OG1 : rot 60:sc= 1.29 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -155:sc= 1.24 (180deg=0.573) USER MOD Single : A 39 THR OG1 : rot -75:sc= -0.179 USER MOD Single : A 43 TYR OH : rot -93:sc= 1.44 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -169:sc= -0.0162 (180deg=-0.172) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 HIS : no HE2:sc= -4.09! C(o=-4.1!,f=-4.5!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 CYS SG : rot -117:sc= -1.76! USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -139:sc= -0.239 (180deg=-4.71!) USER MOD Single : A 91 THR OG1 : rot -17:sc= 0.235 USER MOD Single : A 92 SER OG : rot 180:sc= -0.0172 USER MOD ----------------------------------------------------------------- ATOM 20 N SER A 2 -2.176 -4.676 0.071 1.00 32.43 N ATOM 21 CA SER A 2 -3.381 -5.422 -0.342 1.00 42.32 C ATOM 22 C SER A 2 -3.744 -5.203 -1.822 1.00 42.23 C ATOM 23 O SER A 2 -4.276 -6.104 -2.477 1.00 61.53 O ATOM 24 CB SER A 2 -4.578 -5.016 0.529 1.00 3.20 C ATOM 25 OG SER A 2 -4.871 -3.633 0.383 1.00 3.34 O ATOM 0 HA SER A 2 -3.150 -6.479 -0.210 1.00 42.32 H new ATOM 0 HB2 SER A 2 -5.451 -5.607 0.252 1.00 3.20 H new ATOM 0 HB3 SER A 2 -4.363 -5.237 1.574 1.00 3.20 H new ATOM 0 HG SER A 2 -4.039 -3.136 0.238 1.00 3.34 H new ATOM 31 N TRP A 3 -3.475 -4.007 -2.345 1.00 23.52 N ATOM 32 CA TRP A 3 -3.801 -3.688 -3.743 1.00 55.42 C ATOM 33 C TRP A 3 -2.912 -4.449 -4.742 1.00 70.14 C ATOM 34 O TRP A 3 -3.307 -4.663 -5.891 1.00 14.52 O ATOM 35 CB TRP A 3 -3.724 -2.175 -3.990 1.00 64.35 C ATOM 36 CG TRP A 3 -4.863 -1.420 -3.363 1.00 43.14 C ATOM 37 CD1 TRP A 3 -6.131 -1.290 -3.860 1.00 31.02 C ATOM 38 CD2 TRP A 3 -4.844 -0.698 -2.124 1.00 12.01 C ATOM 39 NE1 TRP A 3 -6.897 -0.534 -3.008 1.00 5.54 N ATOM 40 CE2 TRP A 3 -6.132 -0.161 -1.936 1.00 51.25 C ATOM 41 CE3 TRP A 3 -3.867 -0.454 -1.156 1.00 3.11 C ATOM 42 CZ2 TRP A 3 -6.466 0.604 -0.822 1.00 12.10 C ATOM 43 CZ3 TRP A 3 -4.200 0.304 -0.048 1.00 61.13 C ATOM 44 CH2 TRP A 3 -5.490 0.826 0.109 1.00 51.23 C ATOM 0 H TRP A 3 -3.035 -3.245 -1.829 1.00 23.52 H new ATOM 0 HA TRP A 3 -4.826 -4.019 -3.912 1.00 55.42 H new ATOM 0 HB2 TRP A 3 -2.782 -1.795 -3.595 1.00 64.35 H new ATOM 0 HB3 TRP A 3 -3.718 -1.987 -5.064 1.00 64.35 H new ATOM 0 HD1 TRP A 3 -6.479 -1.720 -4.788 1.00 31.02 H new ATOM 0 HE1 TRP A 3 -7.877 -0.290 -3.151 1.00 5.54 H new ATOM 0 HE3 TRP A 3 -2.869 -0.850 -1.271 1.00 3.11 H new ATOM 0 HZ2 TRP A 3 -7.460 1.007 -0.698 1.00 12.10 H new ATOM 0 HZ3 TRP A 3 -3.453 0.496 0.708 1.00 61.13 H new ATOM 0 HH2 TRP A 3 -5.719 1.416 0.984 1.00 51.23 H new ATOM 55 N MET A 4 -1.726 -4.872 -4.306 1.00 62.20 N ATOM 56 CA MET A 4 -0.858 -5.699 -5.154 1.00 12.55 C ATOM 57 C MET A 4 -1.522 -7.063 -5.411 1.00 54.23 C ATOM 58 O MET A 4 -1.581 -7.541 -6.550 1.00 42.42 O ATOM 59 CB MET A 4 0.521 -5.884 -4.514 1.00 25.40 C ATOM 60 CG MET A 4 1.244 -4.578 -4.212 1.00 2.31 C ATOM 61 SD MET A 4 2.950 -4.832 -3.680 1.00 14.50 S ATOM 62 CE MET A 4 2.734 -6.048 -2.380 1.00 14.43 C ATOM 0 H MET A 4 -1.345 -4.661 -3.384 1.00 62.20 H new ATOM 0 HA MET A 4 -0.717 -5.188 -6.107 1.00 12.55 H new ATOM 0 HB2 MET A 4 0.408 -6.447 -3.588 1.00 25.40 H new ATOM 0 HB3 MET A 4 1.141 -6.485 -5.179 1.00 25.40 H new ATOM 0 HG2 MET A 4 1.235 -3.949 -5.102 1.00 2.31 H new ATOM 0 HG3 MET A 4 0.702 -4.039 -3.435 1.00 2.31 H new ATOM 0 HE1 MET A 4 3.557 -5.971 -1.670 1.00 14.43 H new ATOM 0 HE2 MET A 4 1.791 -5.865 -1.864 1.00 14.43 H new ATOM 0 HE3 MET A 4 2.722 -7.047 -2.815 1.00 14.43 H new ATOM 72 N GLN A 5 -2.006 -7.692 -4.335 1.00 3.52 N ATOM 73 CA GLN A 5 -2.913 -8.842 -4.443 1.00 73.22 C ATOM 74 C GLN A 5 -4.132 -8.509 -5.314 1.00 42.34 C ATOM 75 O GLN A 5 -4.445 -9.234 -6.253 1.00 33.52 O ATOM 76 CB GLN A 5 -3.397 -9.282 -3.048 1.00 53.41 C ATOM 77 CG GLN A 5 -2.373 -10.079 -2.255 1.00 73.11 C ATOM 78 CD GLN A 5 -2.837 -10.416 -0.843 1.00 23.12 C ATOM 79 OE1 GLN A 5 -3.549 -9.647 -0.206 1.00 70.42 O ATOM 80 NE2 GLN A 5 -2.459 -11.580 -0.352 1.00 3.04 N ATOM 0 H GLN A 5 -1.785 -7.424 -3.376 1.00 3.52 H new ATOM 0 HA GLN A 5 -2.355 -9.654 -4.910 1.00 73.22 H new ATOM 0 HB2 GLN A 5 -3.674 -8.396 -2.476 1.00 53.41 H new ATOM 0 HB3 GLN A 5 -4.299 -9.883 -3.162 1.00 53.41 H new ATOM 0 HG2 GLN A 5 -2.150 -11.004 -2.788 1.00 73.11 H new ATOM 0 HG3 GLN A 5 -1.444 -9.511 -2.199 1.00 73.11 H new ATOM 0 HE21 GLN A 5 -1.866 -12.199 -0.905 1.00 3.04 H new ATOM 0 HE22 GLN A 5 -2.759 -11.862 0.581 1.00 3.04 H new ATOM 89 N ASN A 6 -4.794 -7.394 -4.995 1.00 72.11 N ATOM 90 CA ASN A 6 -6.056 -6.997 -5.645 1.00 41.15 C ATOM 91 C ASN A 6 -5.968 -7.053 -7.180 1.00 23.41 C ATOM 92 O ASN A 6 -6.843 -7.613 -7.840 1.00 32.41 O ATOM 93 CB ASN A 6 -6.453 -5.583 -5.196 1.00 41.13 C ATOM 94 CG ASN A 6 -7.895 -5.245 -5.530 1.00 12.12 C ATOM 95 OD1 ASN A 6 -8.199 -4.746 -6.608 1.00 21.32 O ATOM 96 ND2 ASN A 6 -8.792 -5.503 -4.600 1.00 3.15 N ATOM 0 H ASN A 6 -4.475 -6.739 -4.281 1.00 72.11 H new ATOM 0 HA ASN A 6 -6.818 -7.713 -5.337 1.00 41.15 H new ATOM 0 HB2 ASN A 6 -6.303 -5.492 -4.120 1.00 41.13 H new ATOM 0 HB3 ASN A 6 -5.794 -4.857 -5.672 1.00 41.13 H new ATOM 0 HD21 ASN A 6 -9.775 -5.287 -4.766 1.00 3.15 H new ATOM 0 HD22 ASN A 6 -8.503 -5.919 -3.714 1.00 3.15 H new ATOM 103 N LEU A 7 -4.915 -6.468 -7.741 1.00 32.51 N ATOM 104 CA LEU A 7 -4.710 -6.486 -9.194 1.00 12.24 C ATOM 105 C LEU A 7 -4.208 -7.862 -9.666 1.00 63.10 C ATOM 106 O LEU A 7 -4.870 -8.545 -10.446 1.00 1.24 O ATOM 107 CB LEU A 7 -3.712 -5.388 -9.595 1.00 52.44 C ATOM 108 CG LEU A 7 -4.107 -3.958 -9.178 1.00 45.30 C ATOM 109 CD1 LEU A 7 -3.047 -2.951 -9.612 1.00 40.54 C ATOM 110 CD2 LEU A 7 -5.470 -3.585 -9.756 1.00 34.25 C ATOM 0 H LEU A 7 -4.190 -5.976 -7.218 1.00 32.51 H new ATOM 0 HA LEU A 7 -5.668 -6.294 -9.678 1.00 12.24 H new ATOM 0 HB2 LEU A 7 -2.742 -5.623 -9.156 1.00 52.44 H new ATOM 0 HB3 LEU A 7 -3.586 -5.412 -10.677 1.00 52.44 H new ATOM 0 HG LEU A 7 -4.175 -3.931 -8.090 1.00 45.30 H new ATOM 0 HD11 LEU A 7 -3.350 -1.950 -9.306 1.00 40.54 H new ATOM 0 HD12 LEU A 7 -2.095 -3.201 -9.145 1.00 40.54 H new ATOM 0 HD13 LEU A 7 -2.938 -2.982 -10.696 1.00 40.54 H new ATOM 0 HD21 LEU A 7 -5.730 -2.572 -9.450 1.00 34.25 H new ATOM 0 HD22 LEU A 7 -5.430 -3.636 -10.844 1.00 34.25 H new ATOM 0 HD23 LEU A 7 -6.224 -4.280 -9.387 1.00 34.25 H new ATOM 122 N LYS A 8 -3.041 -8.263 -9.159 1.00 72.24 N ATOM 123 CA LYS A 8 -2.414 -9.549 -9.501 1.00 1.34 C ATOM 124 C LYS A 8 -3.298 -10.784 -9.156 1.00 10.41 C ATOM 125 O LYS A 8 -2.877 -11.922 -9.364 1.00 12.43 O ATOM 126 CB LYS A 8 -1.059 -9.631 -8.775 1.00 3.24 C ATOM 127 CG LYS A 8 -0.203 -10.843 -9.134 1.00 72.03 C ATOM 128 CD LYS A 8 1.109 -10.886 -8.343 1.00 53.24 C ATOM 129 CE LYS A 8 0.884 -10.983 -6.829 1.00 42.42 C ATOM 130 NZ LYS A 8 0.542 -9.669 -6.211 1.00 74.31 N ATOM 0 H LYS A 8 -2.500 -7.706 -8.498 1.00 72.24 H new ATOM 0 HA LYS A 8 -2.281 -9.582 -10.582 1.00 1.34 H new ATOM 0 HB2 LYS A 8 -0.491 -8.727 -8.995 1.00 3.24 H new ATOM 0 HB3 LYS A 8 -1.240 -9.640 -7.700 1.00 3.24 H new ATOM 0 HG2 LYS A 8 -0.770 -11.754 -8.943 1.00 72.03 H new ATOM 0 HG3 LYS A 8 0.019 -10.824 -10.201 1.00 72.03 H new ATOM 0 HD2 LYS A 8 1.700 -11.740 -8.674 1.00 53.24 H new ATOM 0 HD3 LYS A 8 1.691 -9.991 -8.563 1.00 53.24 H new ATOM 0 HE2 LYS A 8 0.081 -11.693 -6.630 1.00 42.42 H new ATOM 0 HE3 LYS A 8 1.783 -11.378 -6.357 1.00 42.42 H new ATOM 0 HZ1 LYS A 8 0.972 -9.607 -5.266 1.00 74.31 H new ATOM 0 HZ2 LYS A 8 0.906 -8.899 -6.808 1.00 74.31 H new ATOM 0 HZ3 LYS A 8 -0.491 -9.583 -6.127 1.00 74.31 H new ATOM 144 N ASN A 9 -4.510 -10.569 -8.624 1.00 31.31 N ATOM 145 CA ASN A 9 -5.460 -11.675 -8.395 1.00 1.34 C ATOM 146 C ASN A 9 -5.697 -12.491 -9.673 1.00 62.45 C ATOM 147 O ASN A 9 -5.714 -13.721 -9.641 1.00 30.23 O ATOM 148 CB ASN A 9 -6.812 -11.152 -7.880 1.00 3.23 C ATOM 149 CG ASN A 9 -6.820 -10.846 -6.390 1.00 60.20 C ATOM 150 OD1 ASN A 9 -7.518 -9.946 -5.934 1.00 14.01 O ATOM 151 ND2 ASN A 9 -6.076 -11.605 -5.610 1.00 52.10 N ATOM 0 H ASN A 9 -4.856 -9.651 -8.346 1.00 31.31 H new ATOM 0 HA ASN A 9 -5.010 -12.320 -7.640 1.00 1.34 H new ATOM 0 HB2 ASN A 9 -7.075 -10.248 -8.429 1.00 3.23 H new ATOM 0 HB3 ASN A 9 -7.584 -11.891 -8.095 1.00 3.23 H new ATOM 0 HD21 ASN A 9 -6.072 -11.451 -4.602 1.00 52.10 H new ATOM 0 HD22 ASN A 9 -5.505 -12.347 -6.015 1.00 52.10 H new ATOM 158 N TYR A 10 -5.892 -11.796 -10.791 1.00 11.21 N ATOM 159 CA TYR A 10 -6.142 -12.451 -12.079 1.00 44.31 C ATOM 160 C TYR A 10 -5.976 -11.481 -13.255 1.00 73.55 C ATOM 161 O TYR A 10 -6.212 -10.278 -13.127 1.00 43.42 O ATOM 162 CB TYR A 10 -7.543 -13.096 -12.111 1.00 74.51 C ATOM 163 CG TYR A 10 -8.667 -12.237 -11.541 1.00 4.41 C ATOM 164 CD1 TYR A 10 -8.947 -10.968 -12.048 1.00 22.23 C ATOM 165 CD2 TYR A 10 -9.462 -12.712 -10.500 1.00 31.53 C ATOM 166 CE1 TYR A 10 -9.980 -10.207 -11.533 1.00 24.42 C ATOM 167 CE2 TYR A 10 -10.493 -11.952 -9.981 1.00 34.22 C ATOM 168 CZ TYR A 10 -10.749 -10.703 -10.501 1.00 72.32 C ATOM 169 OH TYR A 10 -11.780 -9.944 -9.986 1.00 42.21 O ATOM 0 H TYR A 10 -5.882 -10.777 -10.834 1.00 11.21 H new ATOM 0 HA TYR A 10 -5.394 -13.237 -12.187 1.00 44.31 H new ATOM 0 HB2 TYR A 10 -7.787 -13.346 -13.144 1.00 74.51 H new ATOM 0 HB3 TYR A 10 -7.507 -14.033 -11.556 1.00 74.51 H new ATOM 0 HD1 TYR A 10 -8.348 -10.574 -12.855 1.00 22.23 H new ATOM 0 HD2 TYR A 10 -9.269 -13.693 -10.091 1.00 31.53 H new ATOM 0 HE1 TYR A 10 -10.184 -9.227 -11.938 1.00 24.42 H new ATOM 0 HE2 TYR A 10 -11.095 -12.336 -9.171 1.00 34.22 H new ATOM 0 HH TYR A 10 -12.223 -10.439 -9.266 1.00 42.21 H new ATOM 179 N GLN A 11 -5.579 -12.019 -14.404 1.00 51.10 N ATOM 180 CA GLN A 11 -5.390 -11.214 -15.610 1.00 74.33 C ATOM 181 C GLN A 11 -6.741 -10.716 -16.151 1.00 23.02 C ATOM 182 O GLN A 11 -7.371 -11.374 -16.983 1.00 34.22 O ATOM 183 CB GLN A 11 -4.660 -12.033 -16.688 1.00 24.12 C ATOM 184 CG GLN A 11 -4.069 -11.177 -17.800 1.00 54.11 C ATOM 185 CD GLN A 11 -2.927 -10.313 -17.303 1.00 24.44 C ATOM 186 OE1 GLN A 11 -2.166 -10.715 -16.431 1.00 33.23 O ATOM 187 NE2 GLN A 11 -2.803 -9.119 -17.838 1.00 12.51 N ATOM 0 H GLN A 11 -5.381 -13.012 -14.527 1.00 51.10 H new ATOM 0 HA GLN A 11 -4.782 -10.348 -15.350 1.00 74.33 H new ATOM 0 HB2 GLN A 11 -3.862 -12.608 -16.219 1.00 24.12 H new ATOM 0 HB3 GLN A 11 -5.356 -12.750 -17.123 1.00 24.12 H new ATOM 0 HG2 GLN A 11 -3.713 -11.821 -18.604 1.00 54.11 H new ATOM 0 HG3 GLN A 11 -4.848 -10.542 -18.222 1.00 54.11 H new ATOM 0 HE21 GLN A 11 -3.453 -8.815 -18.562 1.00 12.51 H new ATOM 0 HE22 GLN A 11 -2.056 -8.497 -17.529 1.00 12.51 H new ATOM 196 N HIS A 12 -7.202 -9.565 -15.662 1.00 64.10 N ATOM 197 CA HIS A 12 -8.530 -9.055 -16.036 1.00 31.23 C ATOM 198 C HIS A 12 -8.491 -7.603 -16.544 1.00 32.14 C ATOM 199 O HIS A 12 -9.527 -7.045 -16.900 1.00 3.22 O ATOM 200 CB HIS A 12 -9.478 -9.160 -14.832 1.00 10.51 C ATOM 201 CG HIS A 12 -10.922 -8.916 -15.161 1.00 41.51 C ATOM 202 ND1 HIS A 12 -11.540 -7.699 -14.975 1.00 45.22 N ATOM 203 CD2 HIS A 12 -11.874 -9.743 -15.657 1.00 11.32 C ATOM 204 CE1 HIS A 12 -12.802 -7.785 -15.341 1.00 50.04 C ATOM 205 NE2 HIS A 12 -13.031 -9.013 -15.759 1.00 65.41 N ATOM 0 H HIS A 12 -6.686 -8.971 -15.013 1.00 64.10 H new ATOM 0 HA HIS A 12 -8.892 -9.670 -16.860 1.00 31.23 H new ATOM 0 HB2 HIS A 12 -9.380 -10.153 -14.393 1.00 10.51 H new ATOM 0 HB3 HIS A 12 -9.164 -8.443 -14.073 1.00 10.51 H new ATOM 0 HD2 HIS A 12 -11.746 -10.782 -15.922 1.00 11.32 H new ATOM 0 HE1 HIS A 12 -13.526 -6.985 -15.305 1.00 50.04 H new ATOM 0 HE2 HIS A 12 -13.925 -9.364 -16.103 1.00 65.41 H new ATOM 214 N LEU A 13 -7.312 -6.989 -16.590 1.00 63.41 N ATOM 215 CA LEU A 13 -7.209 -5.592 -17.028 1.00 11.33 C ATOM 216 C LEU A 13 -5.810 -5.284 -17.596 1.00 65.12 C ATOM 217 O LEU A 13 -4.988 -6.185 -17.752 1.00 34.24 O ATOM 218 CB LEU A 13 -7.571 -4.656 -15.857 1.00 44.10 C ATOM 219 CG LEU A 13 -8.065 -3.250 -16.251 1.00 33.21 C ATOM 220 CD1 LEU A 13 -9.188 -3.338 -17.285 1.00 42.44 C ATOM 221 CD2 LEU A 13 -8.539 -2.481 -15.018 1.00 44.21 C ATOM 0 H LEU A 13 -6.425 -7.424 -16.335 1.00 63.41 H new ATOM 0 HA LEU A 13 -7.918 -5.421 -17.838 1.00 11.33 H new ATOM 0 HB2 LEU A 13 -8.344 -5.137 -15.257 1.00 44.10 H new ATOM 0 HB3 LEU A 13 -6.694 -4.547 -15.219 1.00 44.10 H new ATOM 0 HG LEU A 13 -7.229 -2.711 -16.697 1.00 33.21 H new ATOM 0 HD11 LEU A 13 -9.520 -2.334 -17.548 1.00 42.44 H new ATOM 0 HD12 LEU A 13 -8.821 -3.844 -18.178 1.00 42.44 H new ATOM 0 HD13 LEU A 13 -10.024 -3.899 -16.867 1.00 42.44 H new ATOM 0 HD21 LEU A 13 -8.884 -1.491 -15.317 1.00 44.21 H new ATOM 0 HD22 LEU A 13 -9.358 -3.023 -14.544 1.00 44.21 H new ATOM 0 HD23 LEU A 13 -7.714 -2.380 -14.313 1.00 44.21 H new ATOM 233 N ARG A 14 -5.552 -4.018 -17.928 1.00 41.12 N ATOM 234 CA ARG A 14 -4.295 -3.628 -18.584 1.00 54.03 C ATOM 235 C ARG A 14 -3.274 -3.018 -17.607 1.00 20.35 C ATOM 236 O ARG A 14 -2.306 -2.394 -18.045 1.00 0.54 O ATOM 237 CB ARG A 14 -4.578 -2.611 -19.703 1.00 52.11 C ATOM 238 CG ARG A 14 -5.240 -1.321 -19.212 1.00 24.15 C ATOM 239 CD ARG A 14 -5.031 -0.158 -20.183 1.00 11.42 C ATOM 240 NE ARG A 14 -5.599 -0.411 -21.510 1.00 55.03 N ATOM 241 CZ ARG A 14 -4.897 -0.445 -22.616 1.00 15.12 C ATOM 242 NH1 ARG A 14 -3.604 -0.359 -22.573 1.00 63.12 N ATOM 243 NH2 ARG A 14 -5.493 -0.587 -23.758 1.00 73.31 N ATOM 0 H ARG A 14 -6.193 -3.244 -17.755 1.00 41.12 H new ATOM 0 HA ARG A 14 -3.862 -4.542 -18.992 1.00 54.03 H new ATOM 0 HB2 ARG A 14 -3.641 -2.361 -20.200 1.00 52.11 H new ATOM 0 HB3 ARG A 14 -5.221 -3.076 -20.450 1.00 52.11 H new ATOM 0 HG2 ARG A 14 -6.308 -1.492 -19.077 1.00 24.15 H new ATOM 0 HG3 ARG A 14 -4.834 -1.055 -18.236 1.00 24.15 H new ATOM 0 HD2 ARG A 14 -5.483 0.742 -19.766 1.00 11.42 H new ATOM 0 HD3 ARG A 14 -3.963 0.038 -20.282 1.00 11.42 H new ATOM 0 HE ARG A 14 -6.604 -0.571 -21.577 1.00 55.03 H new ATOM 0 HH11 ARG A 14 -3.129 -0.264 -21.675 1.00 63.12 H new ATOM 0 HH12 ARG A 14 -3.062 -0.386 -23.437 1.00 63.12 H new ATOM 0 HH21 ARG A 14 -6.509 -0.672 -23.796 1.00 73.31 H new ATOM 0 HH22 ARG A 14 -4.946 -0.613 -24.619 1.00 73.31 H new ATOM 257 N ASP A 15 -3.461 -3.207 -16.301 1.00 14.05 N ATOM 258 CA ASP A 15 -2.590 -2.553 -15.308 1.00 31.31 C ATOM 259 C ASP A 15 -1.272 -3.317 -15.085 1.00 32.44 C ATOM 260 O ASP A 15 -1.251 -4.350 -14.424 1.00 11.55 O ATOM 261 CB ASP A 15 -3.327 -2.379 -13.978 1.00 24.33 C ATOM 262 CG ASP A 15 -4.371 -1.284 -14.053 1.00 72.52 C ATOM 263 OD1 ASP A 15 -4.014 -0.104 -13.854 1.00 31.01 O ATOM 264 OD2 ASP A 15 -5.547 -1.591 -14.323 1.00 3.22 O ATOM 0 H ASP A 15 -4.193 -3.796 -15.904 1.00 14.05 H new ATOM 0 HA ASP A 15 -2.333 -1.573 -15.711 1.00 31.31 H new ATOM 0 HB2 ASP A 15 -3.805 -3.319 -13.702 1.00 24.33 H new ATOM 0 HB3 ASP A 15 -2.609 -2.144 -13.193 1.00 24.33 H new ATOM 269 N PRO A 16 -0.135 -2.781 -15.590 1.00 65.40 N ATOM 270 CA PRO A 16 1.179 -3.445 -15.473 1.00 33.41 C ATOM 271 C PRO A 16 1.611 -3.648 -14.012 1.00 51.11 C ATOM 272 O PRO A 16 2.520 -4.428 -13.723 1.00 62.04 O ATOM 273 CB PRO A 16 2.142 -2.483 -16.195 1.00 72.40 C ATOM 274 CG PRO A 16 1.264 -1.624 -17.046 1.00 54.13 C ATOM 275 CD PRO A 16 -0.031 -1.490 -16.292 1.00 52.11 C ATOM 0 HA PRO A 16 1.162 -4.447 -15.902 1.00 33.41 H new ATOM 0 HB2 PRO A 16 2.709 -1.884 -15.483 1.00 72.40 H new ATOM 0 HB3 PRO A 16 2.866 -3.029 -16.800 1.00 72.40 H new ATOM 0 HG2 PRO A 16 1.719 -0.649 -17.218 1.00 54.13 H new ATOM 0 HG3 PRO A 16 1.102 -2.077 -18.024 1.00 54.13 H new ATOM 0 HD2 PRO A 16 -0.009 -0.652 -15.596 1.00 52.11 H new ATOM 0 HD3 PRO A 16 -0.874 -1.325 -16.963 1.00 52.11 H new ATOM 283 N SER A 17 0.949 -2.939 -13.094 1.00 15.55 N ATOM 284 CA SER A 17 1.228 -3.057 -11.655 1.00 15.43 C ATOM 285 C SER A 17 1.060 -4.501 -11.154 1.00 1.44 C ATOM 286 O SER A 17 1.685 -4.898 -10.173 1.00 33.03 O ATOM 287 CB SER A 17 0.318 -2.118 -10.849 1.00 24.22 C ATOM 288 OG SER A 17 0.568 -0.756 -11.170 1.00 14.24 O ATOM 0 H SER A 17 0.211 -2.272 -13.321 1.00 15.55 H new ATOM 0 HA SER A 17 2.268 -2.768 -11.506 1.00 15.43 H new ATOM 0 HB2 SER A 17 -0.726 -2.356 -11.053 1.00 24.22 H new ATOM 0 HB3 SER A 17 0.479 -2.278 -9.783 1.00 24.22 H new ATOM 0 HG SER A 17 -0.026 -0.181 -10.644 1.00 14.24 H new ATOM 294 N GLU A 18 0.221 -5.285 -11.833 1.00 0.24 N ATOM 295 CA GLU A 18 0.047 -6.704 -11.500 1.00 63.33 C ATOM 296 C GLU A 18 1.382 -7.467 -11.671 1.00 72.23 C ATOM 297 O GLU A 18 1.800 -8.237 -10.797 1.00 75.23 O ATOM 298 CB GLU A 18 -1.069 -7.317 -12.371 1.00 44.02 C ATOM 299 CG GLU A 18 -0.795 -7.267 -13.876 1.00 0.22 C ATOM 300 CD GLU A 18 -2.036 -7.494 -14.739 1.00 55.14 C ATOM 301 OE1 GLU A 18 -2.995 -8.134 -14.262 1.00 63.43 O ATOM 302 OE2 GLU A 18 -2.050 -7.019 -15.904 1.00 4.41 O ATOM 0 H GLU A 18 -0.349 -4.964 -12.616 1.00 0.24 H new ATOM 0 HA GLU A 18 -0.252 -6.792 -10.455 1.00 63.33 H new ATOM 0 HB2 GLU A 18 -1.215 -8.356 -12.075 1.00 44.02 H new ATOM 0 HB3 GLU A 18 -2.002 -6.793 -12.166 1.00 44.02 H new ATOM 0 HG2 GLU A 18 -0.364 -6.297 -14.125 1.00 0.22 H new ATOM 0 HG3 GLU A 18 -0.048 -8.021 -14.125 1.00 0.22 H new ATOM 309 N TYR A 19 2.074 -7.205 -12.780 1.00 53.42 N ATOM 310 CA TYR A 19 3.389 -7.807 -13.039 1.00 61.02 C ATOM 311 C TYR A 19 4.486 -7.113 -12.220 1.00 41.54 C ATOM 312 O TYR A 19 5.427 -7.748 -11.751 1.00 11.52 O ATOM 313 CB TYR A 19 3.737 -7.712 -14.525 1.00 15.24 C ATOM 314 CG TYR A 19 2.711 -8.343 -15.447 1.00 63.43 C ATOM 315 CD1 TYR A 19 2.742 -9.702 -15.734 1.00 10.20 C ATOM 316 CD2 TYR A 19 1.725 -7.572 -16.049 1.00 13.15 C ATOM 317 CE1 TYR A 19 1.826 -10.270 -16.598 1.00 54.52 C ATOM 318 CE2 TYR A 19 0.803 -8.135 -16.908 1.00 33.32 C ATOM 319 CZ TYR A 19 0.858 -9.482 -17.182 1.00 42.11 C ATOM 320 OH TYR A 19 -0.054 -10.042 -18.048 1.00 23.02 O ATOM 0 H TYR A 19 1.748 -6.579 -13.517 1.00 53.42 H new ATOM 0 HA TYR A 19 3.335 -8.854 -12.742 1.00 61.02 H new ATOM 0 HB2 TYR A 19 3.852 -6.662 -14.793 1.00 15.24 H new ATOM 0 HB3 TYR A 19 4.702 -8.191 -14.692 1.00 15.24 H new ATOM 0 HD1 TYR A 19 3.495 -10.325 -15.274 1.00 10.20 H new ATOM 0 HD2 TYR A 19 1.679 -6.513 -15.841 1.00 13.15 H new ATOM 0 HE1 TYR A 19 1.868 -11.327 -16.815 1.00 54.52 H new ATOM 0 HE2 TYR A 19 0.041 -7.520 -17.364 1.00 33.32 H new ATOM 0 HH TYR A 19 -0.092 -9.512 -18.871 1.00 23.02 H new ATOM 330 N MET A 20 4.365 -5.800 -12.058 1.00 73.53 N ATOM 331 CA MET A 20 5.305 -5.037 -11.231 1.00 3.32 C ATOM 332 C MET A 20 5.193 -5.476 -9.760 1.00 34.13 C ATOM 333 O MET A 20 6.111 -5.287 -8.965 1.00 21.15 O ATOM 334 CB MET A 20 5.034 -3.532 -11.374 1.00 22.42 C ATOM 335 CG MET A 20 6.118 -2.644 -10.775 1.00 72.44 C ATOM 336 SD MET A 20 5.804 -0.889 -11.055 1.00 5.40 S ATOM 337 CE MET A 20 7.251 -0.156 -10.287 1.00 43.32 C ATOM 0 H MET A 20 3.628 -5.239 -12.486 1.00 73.53 H new ATOM 0 HA MET A 20 6.321 -5.236 -11.572 1.00 3.32 H new ATOM 0 HB2 MET A 20 4.927 -3.292 -12.432 1.00 22.42 H new ATOM 0 HB3 MET A 20 4.083 -3.298 -10.896 1.00 22.42 H new ATOM 0 HG2 MET A 20 6.186 -2.831 -9.703 1.00 72.44 H new ATOM 0 HG3 MET A 20 7.082 -2.911 -11.207 1.00 72.44 H new ATOM 0 HE1 MET A 20 7.201 0.929 -10.379 1.00 43.32 H new ATOM 0 HE2 MET A 20 7.281 -0.430 -9.232 1.00 43.32 H new ATOM 0 HE3 MET A 20 8.150 -0.521 -10.783 1.00 43.32 H new ATOM 347 N SER A 21 4.044 -6.058 -9.415 1.00 41.15 N ATOM 348 CA SER A 21 3.846 -6.695 -8.107 1.00 45.10 C ATOM 349 C SER A 21 4.569 -8.048 -8.044 1.00 74.40 C ATOM 350 O SER A 21 5.131 -8.409 -7.013 1.00 13.55 O ATOM 351 CB SER A 21 2.349 -6.888 -7.829 1.00 15.32 C ATOM 352 OG SER A 21 2.120 -7.637 -6.645 1.00 11.32 O ATOM 0 H SER A 21 3.229 -6.103 -10.027 1.00 41.15 H new ATOM 0 HA SER A 21 4.268 -6.041 -7.344 1.00 45.10 H new ATOM 0 HB2 SER A 21 1.868 -5.914 -7.740 1.00 15.32 H new ATOM 0 HB3 SER A 21 1.886 -7.396 -8.675 1.00 15.32 H new ATOM 0 HG SER A 21 2.853 -7.482 -6.013 1.00 11.32 H new ATOM 358 N GLN A 22 4.528 -8.800 -9.152 1.00 15.41 N ATOM 359 CA GLN A 22 5.317 -10.039 -9.285 1.00 32.33 C ATOM 360 C GLN A 22 6.791 -9.803 -8.905 1.00 14.15 C ATOM 361 O GLN A 22 7.353 -10.500 -8.056 1.00 3.40 O ATOM 362 CB GLN A 22 5.236 -10.570 -10.730 1.00 41.45 C ATOM 363 CG GLN A 22 6.168 -11.748 -11.015 1.00 23.51 C ATOM 364 CD GLN A 22 6.310 -12.050 -12.498 1.00 70.52 C ATOM 365 OE1 GLN A 22 7.170 -11.497 -13.175 1.00 12.34 O ATOM 366 NE2 GLN A 22 5.478 -12.934 -13.011 1.00 54.00 N ATOM 0 H GLN A 22 3.960 -8.576 -9.969 1.00 15.41 H new ATOM 0 HA GLN A 22 4.897 -10.777 -8.602 1.00 32.33 H new ATOM 0 HB2 GLN A 22 4.210 -10.874 -10.937 1.00 41.45 H new ATOM 0 HB3 GLN A 22 5.473 -9.758 -11.418 1.00 41.45 H new ATOM 0 HG2 GLN A 22 7.152 -11.534 -10.598 1.00 23.51 H new ATOM 0 HG3 GLN A 22 5.791 -12.634 -10.504 1.00 23.51 H new ATOM 0 HE21 GLN A 22 4.774 -13.375 -12.419 1.00 54.00 H new ATOM 0 HE22 GLN A 22 5.538 -13.177 -14.000 1.00 54.00 H new ATOM 375 N VAL A 23 7.414 -8.818 -9.546 1.00 42.25 N ATOM 376 CA VAL A 23 8.800 -8.455 -9.243 1.00 63.14 C ATOM 377 C VAL A 23 8.992 -6.928 -9.228 1.00 11.14 C ATOM 378 O VAL A 23 8.896 -6.256 -10.254 1.00 12.23 O ATOM 379 CB VAL A 23 9.795 -9.111 -10.242 1.00 13.23 C ATOM 380 CG1 VAL A 23 9.426 -8.774 -11.687 1.00 45.55 C ATOM 381 CG2 VAL A 23 11.241 -8.701 -9.930 1.00 50.43 C ATOM 0 H VAL A 23 6.983 -8.255 -10.279 1.00 42.25 H new ATOM 0 HA VAL A 23 9.016 -8.838 -8.246 1.00 63.14 H new ATOM 0 HB VAL A 23 9.723 -10.192 -10.124 1.00 13.23 H new ATOM 0 HG11 VAL A 23 10.138 -9.246 -12.364 1.00 45.55 H new ATOM 0 HG12 VAL A 23 8.423 -9.142 -11.902 1.00 45.55 H new ATOM 0 HG13 VAL A 23 9.453 -7.693 -11.827 1.00 45.55 H new ATOM 0 HG21 VAL A 23 11.915 -9.174 -10.644 1.00 50.43 H new ATOM 0 HG22 VAL A 23 11.336 -7.618 -10.004 1.00 50.43 H new ATOM 0 HG23 VAL A 23 11.500 -9.020 -8.920 1.00 50.43 H new ATOM 391 N TYR A 24 9.273 -6.393 -8.043 1.00 3.20 N ATOM 392 CA TYR A 24 9.485 -4.950 -7.861 1.00 53.34 C ATOM 393 C TYR A 24 10.914 -4.526 -8.260 1.00 65.42 C ATOM 394 O TYR A 24 11.339 -3.405 -7.972 1.00 12.23 O ATOM 395 CB TYR A 24 9.228 -4.572 -6.390 1.00 72.35 C ATOM 396 CG TYR A 24 10.227 -5.184 -5.414 1.00 23.33 C ATOM 397 CD1 TYR A 24 10.036 -6.462 -4.894 1.00 50.21 C ATOM 398 CD2 TYR A 24 11.368 -4.485 -5.023 1.00 1.00 C ATOM 399 CE1 TYR A 24 10.949 -7.020 -4.016 1.00 33.52 C ATOM 400 CE2 TYR A 24 12.282 -5.040 -4.150 1.00 20.10 C ATOM 401 CZ TYR A 24 12.071 -6.305 -3.650 1.00 33.52 C ATOM 402 OH TYR A 24 12.987 -6.851 -2.777 1.00 14.11 O ATOM 0 H TYR A 24 9.361 -6.938 -7.185 1.00 3.20 H new ATOM 0 HA TYR A 24 8.786 -4.425 -8.512 1.00 53.34 H new ATOM 0 HB2 TYR A 24 9.258 -3.487 -6.293 1.00 72.35 H new ATOM 0 HB3 TYR A 24 8.223 -4.889 -6.113 1.00 72.35 H new ATOM 0 HD1 TYR A 24 9.161 -7.027 -5.181 1.00 50.21 H new ATOM 0 HD2 TYR A 24 11.540 -3.491 -5.410 1.00 1.00 H new ATOM 0 HE1 TYR A 24 10.784 -8.011 -3.619 1.00 33.52 H new ATOM 0 HE2 TYR A 24 13.161 -4.483 -3.860 1.00 20.10 H new ATOM 0 HH TYR A 24 13.717 -6.214 -2.628 1.00 14.11 H new ATOM 412 N GLY A 25 11.646 -5.416 -8.930 1.00 72.42 N ATOM 413 CA GLY A 25 13.068 -5.187 -9.184 1.00 60.13 C ATOM 414 C GLY A 25 13.401 -4.705 -10.596 1.00 51.24 C ATOM 415 O GLY A 25 12.874 -3.693 -11.063 1.00 1.35 O ATOM 0 H GLY A 25 11.283 -6.293 -9.303 1.00 72.42 H new ATOM 0 HA2 GLY A 25 13.436 -4.451 -8.469 1.00 60.13 H new ATOM 0 HA3 GLY A 25 13.610 -6.114 -8.995 1.00 60.13 H new ATOM 419 N ASP A 26 14.292 -5.439 -11.268 1.00 44.05 N ATOM 420 CA ASP A 26 14.838 -5.041 -12.572 1.00 23.02 C ATOM 421 C ASP A 26 13.751 -4.871 -13.657 1.00 60.15 C ATOM 422 O ASP A 26 12.839 -5.693 -13.777 1.00 53.23 O ATOM 423 CB ASP A 26 15.882 -6.074 -13.015 1.00 14.15 C ATOM 424 CG ASP A 26 17.043 -6.162 -12.036 1.00 51.13 C ATOM 425 OD1 ASP A 26 16.832 -6.628 -10.896 1.00 3.53 O ATOM 426 OD2 ASP A 26 18.168 -5.759 -12.400 1.00 52.35 O ATOM 0 H ASP A 26 14.657 -6.327 -10.924 1.00 44.05 H new ATOM 0 HA ASP A 26 15.301 -4.062 -12.451 1.00 23.02 H new ATOM 0 HB2 ASP A 26 15.409 -7.052 -13.106 1.00 14.15 H new ATOM 0 HB3 ASP A 26 16.259 -5.809 -14.003 1.00 14.15 H new ATOM 431 N PRO A 27 13.854 -3.789 -14.466 1.00 73.43 N ATOM 432 CA PRO A 27 12.871 -3.460 -15.521 1.00 23.30 C ATOM 433 C PRO A 27 12.529 -4.634 -16.452 1.00 31.34 C ATOM 434 O PRO A 27 11.361 -5.001 -16.589 1.00 1.13 O ATOM 435 CB PRO A 27 13.565 -2.338 -16.307 1.00 21.40 C ATOM 436 CG PRO A 27 14.463 -1.685 -15.312 1.00 52.22 C ATOM 437 CD PRO A 27 14.942 -2.789 -14.404 1.00 62.14 C ATOM 0 HA PRO A 27 11.910 -3.185 -15.086 1.00 23.30 H new ATOM 0 HB2 PRO A 27 14.130 -2.735 -17.151 1.00 21.40 H new ATOM 0 HB3 PRO A 27 12.841 -1.631 -16.712 1.00 21.40 H new ATOM 0 HG2 PRO A 27 15.301 -1.193 -15.805 1.00 52.22 H new ATOM 0 HG3 PRO A 27 13.931 -0.919 -14.749 1.00 52.22 H new ATOM 0 HD2 PRO A 27 15.889 -3.206 -14.746 1.00 62.14 H new ATOM 0 HD3 PRO A 27 15.100 -2.431 -13.387 1.00 62.14 H new ATOM 445 N LEU A 28 13.554 -5.217 -17.079 1.00 5.24 N ATOM 446 CA LEU A 28 13.372 -6.292 -18.071 1.00 45.10 C ATOM 447 C LEU A 28 12.425 -7.389 -17.550 1.00 75.21 C ATOM 448 O LEU A 28 11.573 -7.884 -18.289 1.00 11.33 O ATOM 449 CB LEU A 28 14.748 -6.886 -18.445 1.00 40.34 C ATOM 450 CG LEU A 28 14.816 -7.736 -19.738 1.00 24.43 C ATOM 451 CD1 LEU A 28 16.266 -7.918 -20.180 1.00 24.50 C ATOM 452 CD2 LEU A 28 14.156 -9.105 -19.557 1.00 5.24 C ATOM 0 H LEU A 28 14.529 -4.963 -16.918 1.00 5.24 H new ATOM 0 HA LEU A 28 12.910 -5.866 -18.962 1.00 45.10 H new ATOM 0 HB2 LEU A 28 15.457 -6.064 -18.542 1.00 40.34 H new ATOM 0 HB3 LEU A 28 15.088 -7.504 -17.614 1.00 40.34 H new ATOM 0 HG LEU A 28 14.265 -7.196 -20.508 1.00 24.43 H new ATOM 0 HD11 LEU A 28 16.297 -8.517 -21.090 1.00 24.50 H new ATOM 0 HD12 LEU A 28 16.713 -6.943 -20.373 1.00 24.50 H new ATOM 0 HD13 LEU A 28 16.825 -8.424 -19.393 1.00 24.50 H new ATOM 0 HD21 LEU A 28 14.226 -9.669 -20.487 1.00 5.24 H new ATOM 0 HD22 LEU A 28 14.664 -9.652 -18.763 1.00 5.24 H new ATOM 0 HD23 LEU A 28 13.107 -8.971 -19.292 1.00 5.24 H new ATOM 464 N ALA A 29 12.567 -7.737 -16.274 1.00 70.35 N ATOM 465 CA ALA A 29 11.765 -8.798 -15.659 1.00 22.43 C ATOM 466 C ALA A 29 10.250 -8.564 -15.836 1.00 32.55 C ATOM 467 O ALA A 29 9.600 -9.236 -16.640 1.00 73.14 O ATOM 468 CB ALA A 29 12.119 -8.926 -14.182 1.00 4.21 C ATOM 0 H ALA A 29 13.234 -7.298 -15.640 1.00 70.35 H new ATOM 0 HA ALA A 29 12.003 -9.730 -16.171 1.00 22.43 H new ATOM 0 HB1 ALA A 29 11.519 -9.717 -13.731 1.00 4.21 H new ATOM 0 HB2 ALA A 29 13.176 -9.171 -14.081 1.00 4.21 H new ATOM 0 HB3 ALA A 29 11.915 -7.982 -13.676 1.00 4.21 H new ATOM 474 N TYR A 30 9.698 -7.592 -15.107 1.00 63.42 N ATOM 475 CA TYR A 30 8.252 -7.331 -15.151 1.00 13.10 C ATOM 476 C TYR A 30 7.810 -6.734 -16.499 1.00 13.23 C ATOM 477 O TYR A 30 6.663 -6.897 -16.906 1.00 51.25 O ATOM 478 CB TYR A 30 7.819 -6.419 -13.990 1.00 12.23 C ATOM 479 CG TYR A 30 8.493 -5.056 -13.956 1.00 45.12 C ATOM 480 CD1 TYR A 30 7.971 -3.978 -14.668 1.00 72.24 C ATOM 481 CD2 TYR A 30 9.642 -4.846 -13.200 1.00 74.12 C ATOM 482 CE1 TYR A 30 8.577 -2.737 -14.630 1.00 65.24 C ATOM 483 CE2 TYR A 30 10.250 -3.606 -13.155 1.00 54.42 C ATOM 484 CZ TYR A 30 9.716 -2.554 -13.873 1.00 33.10 C ATOM 485 OH TYR A 30 10.323 -1.314 -13.832 1.00 72.41 O ATOM 0 H TYR A 30 10.221 -6.977 -14.484 1.00 63.42 H new ATOM 0 HA TYR A 30 7.754 -8.294 -15.041 1.00 13.10 H new ATOM 0 HB2 TYR A 30 6.740 -6.273 -14.046 1.00 12.23 H new ATOM 0 HB3 TYR A 30 8.023 -6.932 -13.050 1.00 12.23 H new ATOM 0 HD1 TYR A 30 7.078 -4.115 -15.259 1.00 72.24 H new ATOM 0 HD2 TYR A 30 10.066 -5.666 -12.639 1.00 74.12 H new ATOM 0 HE1 TYR A 30 8.161 -1.913 -15.191 1.00 65.24 H new ATOM 0 HE2 TYR A 30 11.140 -3.460 -12.560 1.00 54.42 H new ATOM 0 HH TYR A 30 11.112 -1.355 -13.253 1.00 72.41 H new ATOM 495 N LEU A 31 8.720 -6.043 -17.188 1.00 50.33 N ATOM 496 CA LEU A 31 8.409 -5.450 -18.497 1.00 42.13 C ATOM 497 C LEU A 31 8.076 -6.537 -19.533 1.00 73.14 C ATOM 498 O LEU A 31 6.970 -6.574 -20.086 1.00 34.02 O ATOM 499 CB LEU A 31 9.586 -4.593 -18.989 1.00 51.10 C ATOM 500 CG LEU A 31 9.389 -3.913 -20.355 1.00 64.51 C ATOM 501 CD1 LEU A 31 8.202 -2.952 -20.319 1.00 71.41 C ATOM 502 CD2 LEU A 31 10.665 -3.188 -20.782 1.00 51.23 C ATOM 0 H LEU A 31 9.674 -5.879 -16.867 1.00 50.33 H new ATOM 0 HA LEU A 31 7.532 -4.813 -18.378 1.00 42.13 H new ATOM 0 HB2 LEU A 31 9.786 -3.822 -18.245 1.00 51.10 H new ATOM 0 HB3 LEU A 31 10.474 -5.223 -19.042 1.00 51.10 H new ATOM 0 HG LEU A 31 9.172 -4.685 -21.093 1.00 64.51 H new ATOM 0 HD11 LEU A 31 8.083 -2.484 -21.296 1.00 71.41 H new ATOM 0 HD12 LEU A 31 7.295 -3.503 -20.068 1.00 71.41 H new ATOM 0 HD13 LEU A 31 8.379 -2.183 -19.567 1.00 71.41 H new ATOM 0 HD21 LEU A 31 10.507 -2.713 -21.750 1.00 51.23 H new ATOM 0 HD22 LEU A 31 10.917 -2.428 -20.042 1.00 51.23 H new ATOM 0 HD23 LEU A 31 11.482 -3.905 -20.859 1.00 51.23 H new ATOM 514 N GLN A 32 9.031 -7.434 -19.780 1.00 74.21 N ATOM 515 CA GLN A 32 8.823 -8.530 -20.727 1.00 21.12 C ATOM 516 C GLN A 32 7.656 -9.424 -20.291 1.00 53.34 C ATOM 517 O GLN A 32 6.836 -9.819 -21.115 1.00 2.24 O ATOM 518 CB GLN A 32 10.105 -9.361 -20.890 1.00 73.42 C ATOM 519 CG GLN A 32 11.239 -8.615 -21.590 1.00 72.14 C ATOM 520 CD GLN A 32 10.893 -8.214 -23.017 1.00 43.51 C ATOM 521 OE1 GLN A 32 10.112 -8.877 -23.694 1.00 72.32 O ATOM 522 NE2 GLN A 32 11.476 -7.130 -23.490 1.00 20.04 N ATOM 0 H GLN A 32 9.951 -7.424 -19.340 1.00 74.21 H new ATOM 0 HA GLN A 32 8.571 -8.091 -21.693 1.00 21.12 H new ATOM 0 HB2 GLN A 32 10.447 -9.681 -19.906 1.00 73.42 H new ATOM 0 HB3 GLN A 32 9.872 -10.263 -21.456 1.00 73.42 H new ATOM 0 HG2 GLN A 32 11.487 -7.722 -21.017 1.00 72.14 H new ATOM 0 HG3 GLN A 32 12.129 -9.244 -21.601 1.00 72.14 H new ATOM 0 HE21 GLN A 32 12.120 -6.600 -22.903 1.00 20.04 H new ATOM 0 HE22 GLN A 32 11.283 -6.821 -24.443 1.00 20.04 H new ATOM 531 N GLU A 33 7.571 -9.725 -18.995 1.00 62.33 N ATOM 532 CA GLU A 33 6.456 -10.521 -18.463 1.00 62.23 C ATOM 533 C GLU A 33 5.100 -9.860 -18.790 1.00 14.41 C ATOM 534 O GLU A 33 4.153 -10.532 -19.199 1.00 22.23 O ATOM 535 CB GLU A 33 6.607 -10.710 -16.945 1.00 44.11 C ATOM 536 CG GLU A 33 5.568 -11.645 -16.322 1.00 12.30 C ATOM 537 CD GLU A 33 5.786 -13.117 -16.670 1.00 12.43 C ATOM 538 OE1 GLU A 33 5.698 -13.474 -17.865 1.00 24.21 O ATOM 539 OE2 GLU A 33 6.029 -13.922 -15.741 1.00 74.13 O ATOM 0 H GLU A 33 8.254 -9.434 -18.296 1.00 62.33 H new ATOM 0 HA GLU A 33 6.481 -11.500 -18.941 1.00 62.23 H new ATOM 0 HB2 GLU A 33 7.603 -11.101 -16.736 1.00 44.11 H new ATOM 0 HB3 GLU A 33 6.539 -9.736 -16.461 1.00 44.11 H new ATOM 0 HG2 GLU A 33 5.590 -11.529 -15.238 1.00 12.30 H new ATOM 0 HG3 GLU A 33 4.575 -11.344 -16.655 1.00 12.30 H new ATOM 546 N THR A 34 5.021 -8.535 -18.636 1.00 61.53 N ATOM 547 CA THR A 34 3.805 -7.779 -18.997 1.00 30.05 C ATOM 548 C THR A 34 3.435 -7.983 -20.474 1.00 4.35 C ATOM 549 O THR A 34 2.256 -8.065 -20.830 1.00 42.31 O ATOM 550 CB THR A 34 3.970 -6.256 -18.731 1.00 44.53 C ATOM 551 OG1 THR A 34 4.183 -6.013 -17.332 1.00 72.31 O ATOM 552 CG2 THR A 34 2.747 -5.465 -19.193 1.00 31.23 C ATOM 0 H THR A 34 5.778 -7.960 -18.266 1.00 61.53 H new ATOM 0 HA THR A 34 3.007 -8.167 -18.364 1.00 30.05 H new ATOM 0 HB THR A 34 4.836 -5.922 -19.303 1.00 44.53 H new ATOM 0 HG1 THR A 34 4.994 -6.479 -17.039 1.00 72.31 H new ATOM 0 HG21 THR A 34 2.901 -4.405 -18.990 1.00 31.23 H new ATOM 0 HG22 THR A 34 2.602 -5.612 -20.263 1.00 31.23 H new ATOM 0 HG23 THR A 34 1.865 -5.813 -18.656 1.00 31.23 H new ATOM 560 N THR A 35 4.450 -8.050 -21.330 1.00 61.14 N ATOM 561 CA THR A 35 4.243 -8.237 -22.777 1.00 63.10 C ATOM 562 C THR A 35 4.166 -9.728 -23.173 1.00 70.51 C ATOM 563 O THR A 35 3.700 -10.067 -24.267 1.00 61.44 O ATOM 564 CB THR A 35 5.379 -7.550 -23.585 1.00 62.23 C ATOM 565 OG1 THR A 35 5.479 -6.168 -23.208 1.00 10.55 O ATOM 566 CG2 THR A 35 5.137 -7.636 -25.090 1.00 15.32 C ATOM 0 H THR A 35 5.429 -7.978 -21.054 1.00 61.14 H new ATOM 0 HA THR A 35 3.285 -7.775 -23.017 1.00 63.10 H new ATOM 0 HB THR A 35 6.306 -8.075 -23.355 1.00 62.23 H new ATOM 0 HG1 THR A 35 6.198 -5.741 -23.719 1.00 10.55 H new ATOM 0 HG21 THR A 35 5.954 -7.144 -25.619 1.00 15.32 H new ATOM 0 HG22 THR A 35 5.088 -8.682 -25.391 1.00 15.32 H new ATOM 0 HG23 THR A 35 4.196 -7.143 -25.336 1.00 15.32 H new ATOM 574 N LYS A 36 4.600 -10.620 -22.282 1.00 52.12 N ATOM 575 CA LYS A 36 4.715 -12.050 -22.611 1.00 0.35 C ATOM 576 C LYS A 36 3.750 -12.938 -21.791 1.00 43.42 C ATOM 577 O LYS A 36 2.956 -13.690 -22.366 1.00 22.31 O ATOM 578 CB LYS A 36 6.164 -12.508 -22.387 1.00 21.14 C ATOM 579 CG LYS A 36 6.441 -13.949 -22.814 1.00 50.02 C ATOM 580 CD LYS A 36 7.236 -14.045 -24.116 1.00 31.32 C ATOM 581 CE LYS A 36 6.537 -13.375 -25.291 1.00 44.41 C ATOM 582 NZ LYS A 36 7.321 -13.517 -26.547 1.00 32.13 N ATOM 0 H LYS A 36 4.878 -10.384 -21.329 1.00 52.12 H new ATOM 0 HA LYS A 36 4.434 -12.166 -23.658 1.00 0.35 H new ATOM 0 HB2 LYS A 36 6.832 -11.844 -22.936 1.00 21.14 H new ATOM 0 HB3 LYS A 36 6.407 -12.402 -21.330 1.00 21.14 H new ATOM 0 HG2 LYS A 36 6.990 -14.458 -22.021 1.00 50.02 H new ATOM 0 HG3 LYS A 36 5.494 -14.475 -22.934 1.00 50.02 H new ATOM 0 HD2 LYS A 36 8.214 -13.586 -23.973 1.00 31.32 H new ATOM 0 HD3 LYS A 36 7.408 -15.095 -24.353 1.00 31.32 H new ATOM 0 HE2 LYS A 36 5.549 -13.815 -25.426 1.00 44.41 H new ATOM 0 HE3 LYS A 36 6.388 -12.318 -25.072 1.00 44.41 H new ATOM 0 HZ1 LYS A 36 7.079 -12.742 -27.197 1.00 32.13 H new ATOM 0 HZ2 LYS A 36 8.337 -13.480 -26.328 1.00 32.13 H new ATOM 0 HZ3 LYS A 36 7.096 -14.428 -26.995 1.00 32.13 H new ATOM 596 N PHE A 37 3.847 -12.862 -20.457 1.00 32.05 N ATOM 597 CA PHE A 37 3.021 -13.672 -19.530 1.00 34.10 C ATOM 598 C PHE A 37 3.499 -15.144 -19.487 1.00 63.05 C ATOM 599 O PHE A 37 2.864 -16.012 -18.876 1.00 12.23 O ATOM 600 CB PHE A 37 1.523 -13.579 -19.905 1.00 11.20 C ATOM 601 CG PHE A 37 0.573 -14.059 -18.829 1.00 11.14 C ATOM 602 CD1 PHE A 37 0.253 -13.240 -17.756 1.00 41.04 C ATOM 603 CD2 PHE A 37 -0.004 -15.321 -18.894 1.00 51.14 C ATOM 604 CE1 PHE A 37 -0.618 -13.667 -16.771 1.00 74.35 C ATOM 605 CE2 PHE A 37 -0.875 -15.752 -17.911 1.00 44.41 C ATOM 606 CZ PHE A 37 -1.182 -14.925 -16.849 1.00 22.12 C ATOM 0 H PHE A 37 4.499 -12.238 -19.982 1.00 32.05 H new ATOM 0 HA PHE A 37 3.143 -13.261 -18.528 1.00 34.10 H new ATOM 0 HB2 PHE A 37 1.286 -12.543 -20.145 1.00 11.20 H new ATOM 0 HB3 PHE A 37 1.351 -14.163 -20.809 1.00 11.20 H new ATOM 0 HD1 PHE A 37 0.691 -12.255 -17.689 1.00 41.04 H new ATOM 0 HD2 PHE A 37 0.231 -15.973 -19.722 1.00 51.14 H new ATOM 0 HE1 PHE A 37 -0.857 -13.018 -15.942 1.00 74.35 H new ATOM 0 HE2 PHE A 37 -1.316 -16.736 -17.974 1.00 44.41 H new ATOM 0 HZ PHE A 37 -1.862 -15.261 -16.080 1.00 22.12 H new ATOM 616 N VAL A 38 4.649 -15.407 -20.112 1.00 12.33 N ATOM 617 CA VAL A 38 5.239 -16.753 -20.174 1.00 42.31 C ATOM 618 C VAL A 38 6.778 -16.684 -20.241 1.00 23.23 C ATOM 619 O VAL A 38 7.360 -15.601 -20.285 1.00 13.55 O ATOM 620 CB VAL A 38 4.694 -17.591 -21.370 1.00 33.21 C ATOM 621 CG1 VAL A 38 3.226 -17.959 -21.164 1.00 54.35 C ATOM 622 CG2 VAL A 38 4.876 -16.853 -22.689 1.00 12.00 C ATOM 0 H VAL A 38 5.200 -14.695 -20.591 1.00 12.33 H new ATOM 0 HA VAL A 38 4.943 -17.258 -19.255 1.00 42.31 H new ATOM 0 HB VAL A 38 5.274 -18.513 -21.412 1.00 33.21 H new ATOM 0 HG11 VAL A 38 2.875 -18.543 -22.015 1.00 54.35 H new ATOM 0 HG12 VAL A 38 3.123 -18.547 -20.252 1.00 54.35 H new ATOM 0 HG13 VAL A 38 2.632 -17.049 -21.078 1.00 54.35 H new ATOM 0 HG21 VAL A 38 4.486 -17.463 -23.504 1.00 12.00 H new ATOM 0 HG22 VAL A 38 4.336 -15.907 -22.654 1.00 12.00 H new ATOM 0 HG23 VAL A 38 5.936 -16.660 -22.855 1.00 12.00 H new ATOM 632 N THR A 39 7.435 -17.843 -20.262 1.00 50.12 N ATOM 633 CA THR A 39 8.903 -17.891 -20.151 1.00 1.34 C ATOM 634 C THR A 39 9.614 -17.465 -21.454 1.00 53.02 C ATOM 635 O THR A 39 9.807 -18.258 -22.375 1.00 10.34 O ATOM 636 CB THR A 39 9.401 -19.292 -19.696 1.00 23.13 C ATOM 637 OG1 THR A 39 10.829 -19.298 -19.585 1.00 74.11 O ATOM 638 CG2 THR A 39 8.953 -20.399 -20.651 1.00 72.25 C ATOM 0 H THR A 39 6.986 -18.754 -20.353 1.00 50.12 H new ATOM 0 HA THR A 39 9.168 -17.164 -19.383 1.00 1.34 H new ATOM 0 HB THR A 39 8.956 -19.493 -18.722 1.00 23.13 H new ATOM 0 HG1 THR A 39 11.227 -19.324 -20.480 1.00 74.11 H new ATOM 0 HG21 THR A 39 9.324 -21.360 -20.294 1.00 72.25 H new ATOM 0 HG22 THR A 39 7.864 -20.423 -20.694 1.00 72.25 H new ATOM 0 HG23 THR A 39 9.352 -20.204 -21.647 1.00 72.25 H new ATOM 646 N GLU A 40 9.974 -16.184 -21.528 1.00 34.54 N ATOM 647 CA GLU A 40 10.735 -15.638 -22.664 1.00 30.11 C ATOM 648 C GLU A 40 12.242 -15.915 -22.508 1.00 60.05 C ATOM 649 O GLU A 40 12.755 -15.972 -21.392 1.00 23.21 O ATOM 650 CB GLU A 40 10.482 -14.120 -22.761 1.00 5.03 C ATOM 651 CG GLU A 40 11.314 -13.387 -23.817 1.00 35.22 C ATOM 652 CD GLU A 40 11.112 -13.922 -25.226 1.00 60.25 C ATOM 653 OE1 GLU A 40 10.026 -13.709 -25.805 1.00 51.00 O ATOM 654 OE2 GLU A 40 12.044 -14.555 -25.764 1.00 13.22 O ATOM 0 H GLU A 40 9.751 -15.495 -20.810 1.00 34.54 H new ATOM 0 HA GLU A 40 10.399 -16.128 -23.578 1.00 30.11 H new ATOM 0 HB2 GLU A 40 9.426 -13.957 -22.976 1.00 5.03 H new ATOM 0 HB3 GLU A 40 10.682 -13.671 -21.788 1.00 5.03 H new ATOM 0 HG2 GLU A 40 11.058 -12.328 -23.799 1.00 35.22 H new ATOM 0 HG3 GLU A 40 12.369 -13.465 -23.555 1.00 35.22 H new ATOM 661 N ARG A 41 12.957 -16.076 -23.626 1.00 43.03 N ATOM 662 CA ARG A 41 14.411 -16.280 -23.580 1.00 13.34 C ATOM 663 C ARG A 41 15.093 -15.177 -22.759 1.00 71.43 C ATOM 664 O ARG A 41 15.870 -15.458 -21.852 1.00 54.25 O ATOM 665 CB ARG A 41 14.999 -16.338 -24.998 1.00 42.33 C ATOM 666 CG ARG A 41 16.525 -16.408 -25.035 1.00 32.21 C ATOM 667 CD ARG A 41 17.048 -16.689 -26.442 1.00 35.10 C ATOM 668 NE ARG A 41 16.764 -18.059 -26.868 1.00 75.54 N ATOM 669 CZ ARG A 41 16.711 -18.452 -28.112 1.00 25.24 C ATOM 670 NH1 ARG A 41 16.858 -17.609 -29.085 1.00 74.21 N ATOM 671 NH2 ARG A 41 16.504 -19.702 -28.372 1.00 10.23 N ATOM 0 H ARG A 41 12.559 -16.070 -24.565 1.00 43.03 H new ATOM 0 HA ARG A 41 14.601 -17.236 -23.091 1.00 13.34 H new ATOM 0 HB2 ARG A 41 14.593 -17.208 -25.513 1.00 42.33 H new ATOM 0 HB3 ARG A 41 14.672 -15.458 -25.552 1.00 42.33 H new ATOM 0 HG2 ARG A 41 16.940 -15.467 -24.674 1.00 32.21 H new ATOM 0 HG3 ARG A 41 16.869 -17.189 -24.357 1.00 32.21 H new ATOM 0 HD2 ARG A 41 16.594 -15.989 -27.144 1.00 35.10 H new ATOM 0 HD3 ARG A 41 18.124 -16.516 -26.470 1.00 35.10 H new ATOM 0 HE ARG A 41 16.596 -18.756 -26.143 1.00 75.54 H new ATOM 0 HH11 ARG A 41 17.018 -16.622 -28.885 1.00 74.21 H new ATOM 0 HH12 ARG A 41 16.814 -17.933 -30.051 1.00 74.21 H new ATOM 0 HH21 ARG A 41 16.384 -20.369 -27.609 1.00 10.23 H new ATOM 0 HH22 ARG A 41 16.460 -20.021 -29.340 1.00 10.23 H new ATOM 685 N GLU A 42 14.764 -13.923 -23.058 1.00 23.12 N ATOM 686 CA GLU A 42 15.311 -12.777 -22.318 1.00 33.24 C ATOM 687 C GLU A 42 14.899 -12.827 -20.831 1.00 41.12 C ATOM 688 O GLU A 42 15.548 -12.237 -19.970 1.00 73.52 O ATOM 689 CB GLU A 42 14.816 -11.461 -22.946 1.00 74.32 C ATOM 690 CG GLU A 42 14.878 -11.430 -24.475 1.00 12.32 C ATOM 691 CD GLU A 42 16.251 -11.781 -25.030 1.00 43.12 C ATOM 692 OE1 GLU A 42 17.201 -10.999 -24.814 1.00 31.12 O ATOM 693 OE2 GLU A 42 16.383 -12.840 -25.685 1.00 32.53 O ATOM 0 H GLU A 42 14.121 -13.669 -23.808 1.00 23.12 H new ATOM 0 HA GLU A 42 16.398 -12.825 -22.377 1.00 33.24 H new ATOM 0 HB2 GLU A 42 13.787 -11.287 -22.632 1.00 74.32 H new ATOM 0 HB3 GLU A 42 15.413 -10.638 -22.553 1.00 74.32 H new ATOM 0 HG2 GLU A 42 14.143 -12.128 -24.876 1.00 12.32 H new ATOM 0 HG3 GLU A 42 14.597 -10.436 -24.823 1.00 12.32 H new ATOM 700 N TYR A 43 13.817 -13.552 -20.554 1.00 73.14 N ATOM 701 CA TYR A 43 13.242 -13.653 -19.205 1.00 71.32 C ATOM 702 C TYR A 43 14.036 -14.626 -18.312 1.00 74.03 C ATOM 703 O TYR A 43 14.211 -14.375 -17.121 1.00 50.14 O ATOM 704 CB TYR A 43 11.779 -14.107 -19.342 1.00 21.23 C ATOM 705 CG TYR A 43 10.978 -14.211 -18.057 1.00 40.33 C ATOM 706 CD1 TYR A 43 10.251 -13.125 -17.577 1.00 74.34 C ATOM 707 CD2 TYR A 43 10.906 -15.410 -17.355 1.00 23.45 C ATOM 708 CE1 TYR A 43 9.479 -13.234 -16.438 1.00 4.01 C ATOM 709 CE2 TYR A 43 10.143 -15.521 -16.209 1.00 23.41 C ATOM 710 CZ TYR A 43 9.429 -14.432 -15.758 1.00 63.40 C ATOM 711 OH TYR A 43 8.652 -14.546 -14.631 1.00 5.00 O ATOM 0 H TYR A 43 13.310 -14.089 -21.257 1.00 73.14 H new ATOM 0 HA TYR A 43 13.293 -12.678 -18.720 1.00 71.32 H new ATOM 0 HB2 TYR A 43 11.267 -13.412 -20.007 1.00 21.23 H new ATOM 0 HB3 TYR A 43 11.769 -15.082 -19.830 1.00 21.23 H new ATOM 0 HD1 TYR A 43 10.292 -12.183 -18.104 1.00 74.34 H new ATOM 0 HD2 TYR A 43 11.456 -16.268 -17.712 1.00 23.45 H new ATOM 0 HE1 TYR A 43 8.916 -12.384 -16.081 1.00 4.01 H new ATOM 0 HE2 TYR A 43 10.106 -16.456 -15.669 1.00 23.41 H new ATOM 0 HH TYR A 43 9.194 -14.349 -13.839 1.00 5.00 H new ATOM 721 N TYR A 44 14.515 -15.738 -18.885 1.00 52.13 N ATOM 722 CA TYR A 44 15.256 -16.744 -18.096 1.00 31.33 C ATOM 723 C TYR A 44 16.764 -16.794 -18.421 1.00 35.43 C ATOM 724 O TYR A 44 17.539 -17.351 -17.648 1.00 53.04 O ATOM 725 CB TYR A 44 14.636 -18.145 -18.272 1.00 10.33 C ATOM 726 CG TYR A 44 14.655 -18.698 -19.696 1.00 21.22 C ATOM 727 CD1 TYR A 44 15.799 -19.291 -20.228 1.00 5.35 C ATOM 728 CD2 TYR A 44 13.520 -18.645 -20.496 1.00 32.43 C ATOM 729 CE1 TYR A 44 15.808 -19.805 -21.514 1.00 70.21 C ATOM 730 CE2 TYR A 44 13.520 -19.161 -21.778 1.00 20.23 C ATOM 731 CZ TYR A 44 14.663 -19.739 -22.283 1.00 45.02 C ATOM 732 OH TYR A 44 14.660 -20.259 -23.563 1.00 33.35 O ATOM 0 H TYR A 44 14.408 -15.966 -19.873 1.00 52.13 H new ATOM 0 HA TYR A 44 15.167 -16.429 -17.056 1.00 31.33 H new ATOM 0 HB2 TYR A 44 15.166 -18.842 -17.623 1.00 10.33 H new ATOM 0 HB3 TYR A 44 13.602 -18.112 -17.927 1.00 10.33 H new ATOM 0 HD1 TYR A 44 16.694 -19.351 -19.627 1.00 5.35 H new ATOM 0 HD2 TYR A 44 12.620 -18.191 -20.108 1.00 32.43 H new ATOM 0 HE1 TYR A 44 16.705 -20.255 -21.913 1.00 70.21 H new ATOM 0 HE2 TYR A 44 12.626 -19.111 -22.382 1.00 20.23 H new ATOM 0 HH TYR A 44 13.776 -20.132 -23.966 1.00 33.35 H new ATOM 742 N GLU A 45 17.178 -16.215 -19.550 1.00 71.33 N ATOM 743 CA GLU A 45 18.580 -16.306 -20.007 1.00 55.43 C ATOM 744 C GLU A 45 19.582 -15.819 -18.939 1.00 3.31 C ATOM 745 O GLU A 45 20.460 -16.569 -18.509 1.00 51.51 O ATOM 746 CB GLU A 45 18.771 -15.501 -21.304 1.00 63.55 C ATOM 747 CG GLU A 45 20.173 -15.590 -21.910 1.00 23.30 C ATOM 748 CD GLU A 45 20.521 -16.980 -22.431 1.00 33.23 C ATOM 749 OE1 GLU A 45 20.164 -17.296 -23.584 1.00 75.21 O ATOM 750 OE2 GLU A 45 21.167 -17.754 -21.696 1.00 63.21 O ATOM 0 H GLU A 45 16.570 -15.678 -20.168 1.00 71.33 H new ATOM 0 HA GLU A 45 18.786 -17.360 -20.192 1.00 55.43 H new ATOM 0 HB2 GLU A 45 18.048 -15.849 -22.042 1.00 63.55 H new ATOM 0 HB3 GLU A 45 18.542 -14.454 -21.103 1.00 63.55 H new ATOM 0 HG2 GLU A 45 20.254 -14.873 -22.727 1.00 23.30 H new ATOM 0 HG3 GLU A 45 20.905 -15.299 -21.157 1.00 23.30 H new ATOM 757 N ASP A 46 19.455 -14.563 -18.522 1.00 14.34 N ATOM 758 CA ASP A 46 20.400 -13.976 -17.562 1.00 4.32 C ATOM 759 C ASP A 46 19.881 -14.068 -16.117 1.00 73.23 C ATOM 760 O ASP A 46 20.667 -14.161 -15.166 1.00 40.23 O ATOM 761 CB ASP A 46 20.685 -12.519 -17.937 1.00 10.15 C ATOM 762 CG ASP A 46 21.773 -11.904 -17.074 1.00 12.44 C ATOM 763 OD1 ASP A 46 22.901 -12.436 -17.071 1.00 62.12 O ATOM 764 OD2 ASP A 46 21.513 -10.880 -16.408 1.00 53.45 O ATOM 0 H ASP A 46 18.715 -13.931 -18.828 1.00 14.34 H new ATOM 0 HA ASP A 46 21.326 -14.550 -17.610 1.00 4.32 H new ATOM 0 HB2 ASP A 46 20.982 -12.467 -18.984 1.00 10.15 H new ATOM 0 HB3 ASP A 46 19.770 -11.935 -17.836 1.00 10.15 H new ATOM 769 N PHE A 47 18.563 -14.056 -15.958 1.00 73.23 N ATOM 770 CA PHE A 47 17.939 -14.104 -14.632 1.00 11.22 C ATOM 771 C PHE A 47 18.095 -15.484 -13.966 1.00 65.04 C ATOM 772 O PHE A 47 18.509 -16.457 -14.598 1.00 31.42 O ATOM 773 CB PHE A 47 16.454 -13.736 -14.739 1.00 75.54 C ATOM 774 CG PHE A 47 16.217 -12.319 -15.207 1.00 72.42 C ATOM 775 CD1 PHE A 47 16.289 -11.997 -16.555 1.00 40.12 C ATOM 776 CD2 PHE A 47 15.926 -11.309 -14.297 1.00 44.32 C ATOM 777 CE1 PHE A 47 16.076 -10.701 -16.984 1.00 74.21 C ATOM 778 CE2 PHE A 47 15.711 -10.012 -14.724 1.00 23.52 C ATOM 779 CZ PHE A 47 15.787 -9.708 -16.068 1.00 45.22 C ATOM 0 H PHE A 47 17.899 -14.013 -16.731 1.00 73.23 H new ATOM 0 HA PHE A 47 18.453 -13.378 -14.001 1.00 11.22 H new ATOM 0 HB2 PHE A 47 15.966 -14.425 -15.429 1.00 75.54 H new ATOM 0 HB3 PHE A 47 15.983 -13.872 -13.766 1.00 75.54 H new ATOM 0 HD1 PHE A 47 16.514 -12.768 -17.277 1.00 40.12 H new ATOM 0 HD2 PHE A 47 15.867 -11.541 -13.244 1.00 44.32 H new ATOM 0 HE1 PHE A 47 16.135 -10.464 -18.036 1.00 74.21 H new ATOM 0 HE2 PHE A 47 15.484 -9.237 -14.007 1.00 23.52 H new ATOM 0 HZ PHE A 47 15.621 -8.695 -16.403 1.00 45.22 H new ATOM 789 N GLY A 48 17.753 -15.562 -12.682 1.00 13.23 N ATOM 790 CA GLY A 48 17.894 -16.815 -11.944 1.00 74.14 C ATOM 791 C GLY A 48 18.246 -16.619 -10.473 1.00 3.55 C ATOM 792 O GLY A 48 17.877 -17.432 -9.624 1.00 43.01 O ATOM 0 H GLY A 48 17.381 -14.784 -12.137 1.00 13.23 H new ATOM 0 HA2 GLY A 48 16.962 -17.376 -12.015 1.00 74.14 H new ATOM 0 HA3 GLY A 48 18.667 -17.421 -12.417 1.00 74.14 H new ATOM 1115 N PRO A 71 -0.953 -18.877 -1.705 1.00 72.14 N ATOM 1116 CA PRO A 71 -2.079 -19.276 -2.590 1.00 31.44 C ATOM 1117 C PRO A 71 -3.485 -18.815 -2.132 1.00 11.21 C ATOM 1118 O PRO A 71 -4.477 -19.098 -2.809 1.00 1.54 O ATOM 1119 CB PRO A 71 -2.005 -20.815 -2.590 1.00 14.45 C ATOM 1120 CG PRO A 71 -0.612 -21.135 -2.163 1.00 34.22 C ATOM 1121 CD PRO A 71 -0.228 -20.056 -1.190 1.00 20.01 C ATOM 0 HA PRO A 71 -1.967 -18.802 -3.565 1.00 31.44 H new ATOM 0 HB2 PRO A 71 -2.736 -21.245 -1.906 1.00 14.45 H new ATOM 0 HB3 PRO A 71 -2.217 -21.220 -3.579 1.00 14.45 H new ATOM 0 HG2 PRO A 71 -0.562 -22.119 -1.697 1.00 34.22 H new ATOM 0 HG3 PRO A 71 0.065 -21.152 -3.017 1.00 34.22 H new ATOM 0 HD2 PRO A 71 -0.530 -20.303 -0.172 1.00 20.01 H new ATOM 0 HD3 PRO A 71 0.849 -19.892 -1.172 1.00 20.01 H new ATOM 1129 N LYS A 72 -3.585 -18.119 -0.999 1.00 35.43 N ATOM 1130 CA LYS A 72 -4.888 -17.640 -0.506 1.00 4.22 C ATOM 1131 C LYS A 72 -5.538 -16.667 -1.512 1.00 65.42 C ATOM 1132 O LYS A 72 -6.621 -16.932 -2.035 1.00 4.34 O ATOM 1133 CB LYS A 72 -4.721 -16.962 0.867 1.00 12.42 C ATOM 1134 CG LYS A 72 -5.929 -17.077 1.801 1.00 75.53 C ATOM 1135 CD LYS A 72 -7.166 -16.352 1.276 1.00 72.21 C ATOM 1136 CE LYS A 72 -8.321 -16.420 2.269 1.00 41.41 C ATOM 1137 NZ LYS A 72 -8.701 -17.823 2.585 1.00 35.32 N ATOM 0 H LYS A 72 -2.792 -17.874 -0.407 1.00 35.43 H new ATOM 0 HA LYS A 72 -5.548 -18.501 -0.396 1.00 4.22 H new ATOM 0 HB2 LYS A 72 -3.854 -17.395 1.365 1.00 12.42 H new ATOM 0 HB3 LYS A 72 -4.503 -15.906 0.709 1.00 12.42 H new ATOM 0 HG2 LYS A 72 -6.168 -18.130 1.947 1.00 75.53 H new ATOM 0 HG3 LYS A 72 -5.665 -16.671 2.778 1.00 75.53 H new ATOM 0 HD2 LYS A 72 -6.919 -15.309 1.075 1.00 72.21 H new ATOM 0 HD3 LYS A 72 -7.473 -16.795 0.329 1.00 72.21 H new ATOM 0 HE2 LYS A 72 -8.040 -15.905 3.188 1.00 41.41 H new ATOM 0 HE3 LYS A 72 -9.183 -15.894 1.859 1.00 41.41 H new ATOM 0 HZ1 LYS A 72 -9.599 -17.830 3.110 1.00 35.32 H new ATOM 0 HZ2 LYS A 72 -8.813 -18.360 1.701 1.00 35.32 H new ATOM 0 HZ3 LYS A 72 -7.957 -18.262 3.165 1.00 35.32 H new ATOM 1151 N LEU A 73 -4.877 -15.538 -1.769 1.00 21.41 N ATOM 1152 CA LEU A 73 -5.382 -14.545 -2.731 1.00 35.23 C ATOM 1153 C LEU A 73 -4.762 -14.732 -4.127 1.00 72.25 C ATOM 1154 O LEU A 73 -5.155 -14.058 -5.080 1.00 21.11 O ATOM 1155 CB LEU A 73 -5.112 -13.108 -2.239 1.00 54.42 C ATOM 1156 CG LEU A 73 -5.904 -12.651 -0.996 1.00 5.15 C ATOM 1157 CD1 LEU A 73 -7.398 -12.927 -1.163 1.00 62.13 C ATOM 1158 CD2 LEU A 73 -5.364 -13.298 0.280 1.00 33.24 C ATOM 0 H LEU A 73 -3.993 -15.284 -1.328 1.00 21.41 H new ATOM 0 HA LEU A 73 -6.458 -14.703 -2.807 1.00 35.23 H new ATOM 0 HB2 LEU A 73 -4.048 -13.016 -2.020 1.00 54.42 H new ATOM 0 HB3 LEU A 73 -5.330 -12.420 -3.056 1.00 54.42 H new ATOM 0 HG LEU A 73 -5.771 -11.573 -0.900 1.00 5.15 H new ATOM 0 HD11 LEU A 73 -7.931 -12.595 -0.272 1.00 62.13 H new ATOM 0 HD12 LEU A 73 -7.773 -12.387 -2.033 1.00 62.13 H new ATOM 0 HD13 LEU A 73 -7.557 -13.996 -1.303 1.00 62.13 H new ATOM 0 HD21 LEU A 73 -5.945 -12.954 1.136 1.00 33.24 H new ATOM 0 HD22 LEU A 73 -5.443 -14.382 0.200 1.00 33.24 H new ATOM 0 HD23 LEU A 73 -4.319 -13.019 0.415 1.00 33.24 H new ATOM 1170 N LEU A 74 -3.796 -15.639 -4.246 1.00 40.54 N ATOM 1171 CA LEU A 74 -3.126 -15.891 -5.529 1.00 0.33 C ATOM 1172 C LEU A 74 -3.495 -17.290 -6.063 1.00 64.14 C ATOM 1173 O LEU A 74 -3.057 -18.304 -5.514 1.00 11.42 O ATOM 1174 CB LEU A 74 -1.597 -15.753 -5.356 1.00 21.42 C ATOM 1175 CG LEU A 74 -0.784 -15.427 -6.634 1.00 11.40 C ATOM 1176 CD1 LEU A 74 -0.764 -16.597 -7.612 1.00 45.12 C ATOM 1177 CD2 LEU A 74 -1.333 -14.173 -7.312 1.00 24.01 C ATOM 0 H LEU A 74 -3.457 -16.213 -3.474 1.00 40.54 H new ATOM 0 HA LEU A 74 -3.462 -15.154 -6.258 1.00 0.33 H new ATOM 0 HB2 LEU A 74 -1.406 -14.971 -4.621 1.00 21.42 H new ATOM 0 HB3 LEU A 74 -1.215 -16.684 -4.937 1.00 21.42 H new ATOM 0 HG LEU A 74 0.245 -15.242 -6.326 1.00 11.40 H new ATOM 0 HD11 LEU A 74 -0.183 -16.325 -8.493 1.00 45.12 H new ATOM 0 HD12 LEU A 74 -0.311 -17.464 -7.132 1.00 45.12 H new ATOM 0 HD13 LEU A 74 -1.784 -16.839 -7.910 1.00 45.12 H new ATOM 0 HD21 LEU A 74 -0.750 -13.959 -8.208 1.00 24.01 H new ATOM 0 HD22 LEU A 74 -2.375 -14.335 -7.587 1.00 24.01 H new ATOM 0 HD23 LEU A 74 -1.266 -13.329 -6.625 1.00 24.01 H new ATOM 1189 N PRO A 75 -4.309 -17.362 -7.139 1.00 72.50 N ATOM 1190 CA PRO A 75 -4.750 -18.643 -7.725 1.00 32.33 C ATOM 1191 C PRO A 75 -3.634 -19.378 -8.486 1.00 75.03 C ATOM 1192 O PRO A 75 -2.473 -18.968 -8.470 1.00 20.54 O ATOM 1193 CB PRO A 75 -5.866 -18.216 -8.686 1.00 60.33 C ATOM 1194 CG PRO A 75 -5.502 -16.826 -9.086 1.00 61.45 C ATOM 1195 CD PRO A 75 -4.867 -16.203 -7.869 1.00 32.15 C ATOM 0 HA PRO A 75 -5.064 -19.351 -6.958 1.00 32.33 H new ATOM 0 HB2 PRO A 75 -5.919 -18.877 -9.551 1.00 60.33 H new ATOM 0 HB3 PRO A 75 -6.841 -18.247 -8.201 1.00 60.33 H new ATOM 0 HG2 PRO A 75 -4.811 -16.830 -9.929 1.00 61.45 H new ATOM 0 HG3 PRO A 75 -6.383 -16.265 -9.398 1.00 61.45 H new ATOM 0 HD2 PRO A 75 -4.090 -15.489 -8.143 1.00 32.15 H new ATOM 0 HD3 PRO A 75 -5.598 -15.663 -7.267 1.00 32.15 H new ATOM 1203 N TYR A 76 -3.986 -20.470 -9.164 1.00 15.35 N ATOM 1204 CA TYR A 76 -2.991 -21.259 -9.895 1.00 32.44 C ATOM 1205 C TYR A 76 -3.528 -21.799 -11.231 1.00 63.53 C ATOM 1206 O TYR A 76 -4.238 -22.803 -11.282 1.00 3.55 O ATOM 1207 CB TYR A 76 -2.459 -22.405 -9.012 1.00 73.11 C ATOM 1208 CG TYR A 76 -3.539 -23.234 -8.334 1.00 71.01 C ATOM 1209 CD1 TYR A 76 -4.140 -22.794 -7.158 1.00 54.42 C ATOM 1210 CD2 TYR A 76 -3.957 -24.450 -8.866 1.00 11.12 C ATOM 1211 CE1 TYR A 76 -5.122 -23.538 -6.536 1.00 73.53 C ATOM 1212 CE2 TYR A 76 -4.940 -25.199 -8.249 1.00 44.43 C ATOM 1213 CZ TYR A 76 -5.520 -24.738 -7.085 1.00 1.50 C ATOM 1214 OH TYR A 76 -6.504 -25.479 -6.466 1.00 63.24 O ATOM 0 H TYR A 76 -4.940 -20.826 -9.223 1.00 15.35 H new ATOM 0 HA TYR A 76 -2.167 -20.588 -10.140 1.00 32.44 H new ATOM 0 HB2 TYR A 76 -1.845 -23.064 -9.626 1.00 73.11 H new ATOM 0 HB3 TYR A 76 -1.808 -21.984 -8.246 1.00 73.11 H new ATOM 0 HD1 TYR A 76 -3.832 -21.854 -6.725 1.00 54.42 H new ATOM 0 HD2 TYR A 76 -3.505 -24.814 -9.777 1.00 11.12 H new ATOM 0 HE1 TYR A 76 -5.576 -23.182 -5.623 1.00 73.53 H new ATOM 0 HE2 TYR A 76 -5.253 -26.141 -8.675 1.00 44.43 H new ATOM 0 HH TYR A 76 -6.670 -26.297 -6.980 1.00 63.24 H new ATOM 1224 N ASP A 77 -3.198 -21.100 -12.313 1.00 63.02 N ATOM 1225 CA ASP A 77 -3.442 -21.598 -13.671 1.00 31.42 C ATOM 1226 C ASP A 77 -2.133 -22.173 -14.239 1.00 60.11 C ATOM 1227 O ASP A 77 -1.072 -21.962 -13.661 1.00 64.13 O ATOM 1228 CB ASP A 77 -3.975 -20.466 -14.563 1.00 74.54 C ATOM 1229 CG ASP A 77 -4.350 -20.945 -15.956 1.00 10.41 C ATOM 1230 OD1 ASP A 77 -5.495 -21.389 -16.150 1.00 70.00 O ATOM 1231 OD2 ASP A 77 -3.489 -20.900 -16.860 1.00 52.44 O ATOM 0 H ASP A 77 -2.758 -20.180 -12.279 1.00 63.02 H new ATOM 0 HA ASP A 77 -4.194 -22.386 -13.644 1.00 31.42 H new ATOM 0 HB2 ASP A 77 -4.848 -20.017 -14.090 1.00 74.54 H new ATOM 0 HB3 ASP A 77 -3.219 -19.685 -14.643 1.00 74.54 H new ATOM 1236 N LYS A 78 -2.199 -22.878 -15.367 1.00 41.33 N ATOM 1237 CA LYS A 78 -1.008 -23.521 -15.946 1.00 24.35 C ATOM 1238 C LYS A 78 0.182 -22.538 -16.033 1.00 23.34 C ATOM 1239 O LYS A 78 1.186 -22.681 -15.321 1.00 43.31 O ATOM 1240 CB LYS A 78 -1.306 -24.089 -17.351 1.00 13.41 C ATOM 1241 CG LYS A 78 -2.432 -25.127 -17.422 1.00 61.41 C ATOM 1242 CD LYS A 78 -3.817 -24.479 -17.412 1.00 55.31 C ATOM 1243 CE LYS A 78 -4.923 -25.483 -17.716 1.00 3.42 C ATOM 1244 NZ LYS A 78 -6.259 -24.830 -17.781 1.00 14.23 N ATOM 0 H LYS A 78 -3.057 -23.021 -15.900 1.00 41.33 H new ATOM 0 HA LYS A 78 -0.738 -24.341 -15.280 1.00 24.35 H new ATOM 0 HB2 LYS A 78 -1.558 -23.260 -18.012 1.00 13.41 H new ATOM 0 HB3 LYS A 78 -0.394 -24.541 -17.741 1.00 13.41 H new ATOM 0 HG2 LYS A 78 -2.318 -25.723 -18.328 1.00 61.41 H new ATOM 0 HG3 LYS A 78 -2.347 -25.811 -16.578 1.00 61.41 H new ATOM 0 HD2 LYS A 78 -3.998 -24.026 -16.437 1.00 55.31 H new ATOM 0 HD3 LYS A 78 -3.846 -23.675 -18.148 1.00 55.31 H new ATOM 0 HE2 LYS A 78 -4.714 -25.978 -18.664 1.00 3.42 H new ATOM 0 HE3 LYS A 78 -4.933 -26.256 -16.948 1.00 3.42 H new ATOM 0 HZ1 LYS A 78 -6.985 -25.545 -17.990 1.00 14.23 H new ATOM 0 HZ2 LYS A 78 -6.470 -24.379 -16.868 1.00 14.23 H new ATOM 0 HZ3 LYS A 78 -6.257 -24.109 -18.531 1.00 14.23 H new ATOM 1258 N ARG A 79 0.042 -21.513 -16.875 1.00 34.45 N ATOM 1259 CA ARG A 79 1.129 -20.556 -17.115 1.00 20.20 C ATOM 1260 C ARG A 79 1.252 -19.544 -15.969 1.00 24.22 C ATOM 1261 O ARG A 79 2.360 -19.242 -15.513 1.00 4.23 O ATOM 1262 CB ARG A 79 0.927 -19.822 -18.455 1.00 64.22 C ATOM 1263 CG ARG A 79 1.219 -20.680 -19.688 1.00 15.10 C ATOM 1264 CD ARG A 79 0.234 -21.833 -19.840 1.00 53.42 C ATOM 1265 NE ARG A 79 0.656 -22.778 -20.866 1.00 42.12 N ATOM 1266 CZ ARG A 79 -0.032 -23.822 -21.230 1.00 45.13 C ATOM 1267 NH1 ARG A 79 -1.211 -24.043 -20.742 1.00 61.52 N ATOM 1268 NH2 ARG A 79 0.457 -24.637 -22.102 1.00 62.21 N ATOM 0 H ARG A 79 -0.810 -21.322 -17.402 1.00 34.45 H new ATOM 0 HA ARG A 79 2.058 -21.124 -17.163 1.00 20.20 H new ATOM 0 HB2 ARG A 79 -0.101 -19.465 -18.510 1.00 64.22 H new ATOM 0 HB3 ARG A 79 1.571 -18.943 -18.476 1.00 64.22 H new ATOM 0 HG2 ARG A 79 1.182 -20.054 -20.580 1.00 15.10 H new ATOM 0 HG3 ARG A 79 2.232 -21.077 -19.619 1.00 15.10 H new ATOM 0 HD2 ARG A 79 0.134 -22.353 -18.887 1.00 53.42 H new ATOM 0 HD3 ARG A 79 -0.750 -21.439 -20.093 1.00 53.42 H new ATOM 0 HE ARG A 79 1.549 -22.611 -21.330 1.00 42.12 H new ATOM 0 HH11 ARG A 79 -1.612 -23.395 -20.064 1.00 61.52 H new ATOM 0 HH12 ARG A 79 -1.739 -24.865 -21.036 1.00 61.52 H new ATOM 0 HH21 ARG A 79 1.378 -24.462 -22.503 1.00 62.21 H new ATOM 0 HH22 ARG A 79 -0.078 -25.456 -22.391 1.00 62.21 H new ATOM 1282 N LEU A 80 0.115 -19.017 -15.519 1.00 11.40 N ATOM 1283 CA LEU A 80 0.077 -18.081 -14.387 1.00 40.25 C ATOM 1284 C LEU A 80 0.857 -18.632 -13.180 1.00 42.22 C ATOM 1285 O LEU A 80 1.807 -18.006 -12.700 1.00 41.35 O ATOM 1286 CB LEU A 80 -1.383 -17.803 -13.991 1.00 62.34 C ATOM 1287 CG LEU A 80 -1.587 -16.852 -12.796 1.00 51.43 C ATOM 1288 CD1 LEU A 80 -1.066 -15.452 -13.117 1.00 72.10 C ATOM 1289 CD2 LEU A 80 -3.060 -16.802 -12.393 1.00 23.32 C ATOM 0 H LEU A 80 -0.800 -19.221 -15.921 1.00 11.40 H new ATOM 0 HA LEU A 80 0.553 -17.151 -14.697 1.00 40.25 H new ATOM 0 HB2 LEU A 80 -1.900 -17.386 -14.855 1.00 62.34 H new ATOM 0 HB3 LEU A 80 -1.864 -18.754 -13.760 1.00 62.34 H new ATOM 0 HG LEU A 80 -1.014 -17.239 -11.953 1.00 51.43 H new ATOM 0 HD11 LEU A 80 -1.222 -14.800 -12.258 1.00 72.10 H new ATOM 0 HD12 LEU A 80 -0.001 -15.503 -13.345 1.00 72.10 H new ATOM 0 HD13 LEU A 80 -1.603 -15.052 -13.977 1.00 72.10 H new ATOM 0 HD21 LEU A 80 -3.183 -16.125 -11.548 1.00 23.32 H new ATOM 0 HD22 LEU A 80 -3.655 -16.445 -13.233 1.00 23.32 H new ATOM 0 HD23 LEU A 80 -3.394 -17.800 -12.110 1.00 23.32 H new ATOM 1301 N ALA A 81 0.467 -19.822 -12.720 1.00 54.33 N ATOM 1302 CA ALA A 81 1.102 -20.451 -11.558 1.00 21.24 C ATOM 1303 C ALA A 81 2.591 -20.717 -11.788 1.00 33.51 C ATOM 1304 O ALA A 81 3.424 -20.253 -11.014 1.00 63.22 O ATOM 1305 CB ALA A 81 0.391 -21.746 -11.186 1.00 34.22 C ATOM 0 H ALA A 81 -0.286 -20.371 -13.134 1.00 54.33 H new ATOM 0 HA ALA A 81 1.015 -19.747 -10.731 1.00 21.24 H new ATOM 0 HB1 ALA A 81 0.880 -22.194 -10.321 1.00 34.22 H new ATOM 0 HB2 ALA A 81 -0.650 -21.533 -10.944 1.00 34.22 H new ATOM 0 HB3 ALA A 81 0.434 -22.439 -12.026 1.00 34.22 H new ATOM 1311 N TRP A 82 2.928 -21.446 -12.861 1.00 71.02 N ATOM 1312 CA TRP A 82 4.325 -21.837 -13.096 1.00 62.24 C ATOM 1313 C TRP A 82 5.272 -20.633 -13.012 1.00 20.10 C ATOM 1314 O TRP A 82 6.174 -20.609 -12.185 1.00 12.44 O ATOM 1315 CB TRP A 82 4.498 -22.533 -14.455 1.00 20.14 C ATOM 1316 CG TRP A 82 5.903 -23.039 -14.672 1.00 25.13 C ATOM 1317 CD1 TRP A 82 6.982 -22.317 -15.107 1.00 30.10 C ATOM 1318 CD2 TRP A 82 6.381 -24.373 -14.453 1.00 61.14 C ATOM 1319 NE1 TRP A 82 8.096 -23.115 -15.153 1.00 40.44 N ATOM 1320 CE2 TRP A 82 7.754 -24.381 -14.764 1.00 61.20 C ATOM 1321 CE3 TRP A 82 5.784 -25.561 -14.019 1.00 73.41 C ATOM 1322 CZ2 TRP A 82 8.536 -25.527 -14.657 1.00 11.14 C ATOM 1323 CZ3 TRP A 82 6.561 -26.699 -13.916 1.00 3.12 C ATOM 1324 CH2 TRP A 82 7.926 -26.674 -14.234 1.00 42.12 C ATOM 0 H TRP A 82 2.268 -21.771 -13.567 1.00 71.02 H new ATOM 0 HA TRP A 82 4.585 -22.542 -12.306 1.00 62.24 H new ATOM 0 HB2 TRP A 82 3.800 -23.368 -14.523 1.00 20.14 H new ATOM 0 HB3 TRP A 82 4.240 -21.836 -15.252 1.00 20.14 H new ATOM 0 HD1 TRP A 82 6.959 -21.271 -15.375 1.00 30.10 H new ATOM 0 HE1 TRP A 82 9.029 -22.813 -15.432 1.00 40.44 H new ATOM 0 HE3 TRP A 82 4.734 -25.588 -13.769 1.00 73.41 H new ATOM 0 HZ2 TRP A 82 9.588 -25.510 -14.900 1.00 11.14 H new ATOM 0 HZ3 TRP A 82 6.109 -27.623 -13.585 1.00 3.12 H new ATOM 0 HH2 TRP A 82 8.507 -27.580 -14.143 1.00 42.12 H new ATOM 1335 N HIS A 83 5.042 -19.626 -13.850 1.00 74.05 N ATOM 1336 CA HIS A 83 5.965 -18.488 -13.953 1.00 25.34 C ATOM 1337 C HIS A 83 5.984 -17.646 -12.672 1.00 13.53 C ATOM 1338 O HIS A 83 7.041 -17.422 -12.091 1.00 43.04 O ATOM 1339 CB HIS A 83 5.602 -17.614 -15.155 1.00 25.12 C ATOM 1340 CG HIS A 83 5.476 -18.398 -16.423 1.00 22.14 C ATOM 1341 ND1 HIS A 83 4.292 -18.517 -17.110 1.00 32.24 N ATOM 1342 CD2 HIS A 83 6.378 -19.146 -17.104 1.00 14.35 C ATOM 1343 CE1 HIS A 83 4.464 -19.300 -18.151 1.00 41.34 C ATOM 1344 NE2 HIS A 83 5.719 -19.697 -18.176 1.00 3.21 N ATOM 0 H HIS A 83 4.231 -19.570 -14.466 1.00 74.05 H new ATOM 0 HA HIS A 83 6.967 -18.894 -14.094 1.00 25.34 H new ATOM 0 HB2 HIS A 83 4.661 -17.101 -14.955 1.00 25.12 H new ATOM 0 HB3 HIS A 83 6.364 -16.845 -15.283 1.00 25.12 H new ATOM 0 HD1 HIS A 83 3.414 -18.067 -16.851 1.00 32.24 H new ATOM 0 HD2 HIS A 83 7.419 -19.283 -16.851 1.00 14.35 H new ATOM 0 HE1 HIS A 83 3.703 -19.573 -18.867 1.00 41.34 H new ATOM 1353 N PHE A 84 4.818 -17.199 -12.220 1.00 51.32 N ATOM 1354 CA PHE A 84 4.740 -16.346 -11.028 1.00 5.11 C ATOM 1355 C PHE A 84 5.310 -17.044 -9.771 1.00 14.52 C ATOM 1356 O PHE A 84 5.968 -16.411 -8.944 1.00 34.35 O ATOM 1357 CB PHE A 84 3.292 -15.893 -10.800 1.00 71.30 C ATOM 1358 CG PHE A 84 2.816 -14.850 -11.794 1.00 54.54 C ATOM 1359 CD1 PHE A 84 2.851 -15.095 -13.164 1.00 64.34 C ATOM 1360 CD2 PHE A 84 2.328 -13.625 -11.354 1.00 54.45 C ATOM 1361 CE1 PHE A 84 2.411 -14.144 -14.065 1.00 23.01 C ATOM 1362 CE2 PHE A 84 1.888 -12.672 -12.255 1.00 42.52 C ATOM 1363 CZ PHE A 84 1.929 -12.932 -13.611 1.00 11.25 C ATOM 0 H PHE A 84 3.918 -17.408 -12.653 1.00 51.32 H new ATOM 0 HA PHE A 84 5.362 -15.468 -11.206 1.00 5.11 H new ATOM 0 HB2 PHE A 84 2.636 -16.762 -10.856 1.00 71.30 H new ATOM 0 HB3 PHE A 84 3.201 -15.489 -9.792 1.00 71.30 H new ATOM 0 HD1 PHE A 84 3.227 -16.040 -13.527 1.00 64.34 H new ATOM 0 HD2 PHE A 84 2.292 -13.415 -10.295 1.00 54.45 H new ATOM 0 HE1 PHE A 84 2.444 -14.349 -15.125 1.00 23.01 H new ATOM 0 HE2 PHE A 84 1.512 -11.724 -11.898 1.00 42.52 H new ATOM 0 HZ PHE A 84 1.585 -12.189 -14.315 1.00 11.25 H new ATOM 1373 N LYS A 85 5.072 -18.350 -9.632 1.00 13.12 N ATOM 1374 CA LYS A 85 5.610 -19.114 -8.492 1.00 21.42 C ATOM 1375 C LYS A 85 7.116 -19.404 -8.660 1.00 21.33 C ATOM 1376 O LYS A 85 7.895 -19.247 -7.720 1.00 42.35 O ATOM 1377 CB LYS A 85 4.838 -20.430 -8.308 1.00 61.43 C ATOM 1378 CG LYS A 85 3.360 -20.246 -7.952 1.00 53.51 C ATOM 1379 CD LYS A 85 3.168 -19.635 -6.564 1.00 25.23 C ATOM 1380 CE LYS A 85 1.687 -19.469 -6.220 1.00 32.30 C ATOM 1381 NZ LYS A 85 1.482 -19.039 -4.807 1.00 74.32 N ATOM 0 H LYS A 85 4.516 -18.901 -10.286 1.00 13.12 H new ATOM 0 HA LYS A 85 5.483 -18.499 -7.601 1.00 21.42 H new ATOM 0 HB2 LYS A 85 4.909 -21.011 -9.227 1.00 61.43 H new ATOM 0 HB3 LYS A 85 5.319 -21.014 -7.523 1.00 61.43 H new ATOM 0 HG2 LYS A 85 2.886 -19.606 -8.697 1.00 53.51 H new ATOM 0 HG3 LYS A 85 2.856 -21.211 -7.994 1.00 53.51 H new ATOM 0 HD2 LYS A 85 3.646 -20.269 -5.818 1.00 25.23 H new ATOM 0 HD3 LYS A 85 3.663 -18.665 -6.522 1.00 25.23 H new ATOM 0 HE2 LYS A 85 1.240 -18.734 -6.890 1.00 32.30 H new ATOM 0 HE3 LYS A 85 1.168 -20.412 -6.390 1.00 32.30 H new ATOM 0 HZ1 LYS A 85 0.464 -18.939 -4.619 1.00 74.32 H new ATOM 0 HZ2 LYS A 85 1.885 -19.752 -4.165 1.00 74.32 H new ATOM 0 HZ3 LYS A 85 1.954 -18.126 -4.650 1.00 74.32 H new ATOM 1395 N GLU A 86 7.512 -19.815 -9.860 1.00 30.03 N ATOM 1396 CA GLU A 86 8.914 -20.147 -10.165 1.00 5.13 C ATOM 1397 C GLU A 86 9.822 -18.906 -10.115 1.00 74.11 C ATOM 1398 O GLU A 86 10.978 -18.986 -9.702 1.00 64.40 O ATOM 1399 CB GLU A 86 8.989 -20.804 -11.557 1.00 22.13 C ATOM 1400 CG GLU A 86 10.402 -21.101 -12.054 1.00 13.22 C ATOM 1401 CD GLU A 86 10.411 -21.812 -13.403 1.00 12.43 C ATOM 1402 OE1 GLU A 86 10.175 -21.149 -14.438 1.00 2.52 O ATOM 1403 OE2 GLU A 86 10.641 -23.042 -13.432 1.00 35.40 O ATOM 0 H GLU A 86 6.879 -19.930 -10.651 1.00 30.03 H new ATOM 0 HA GLU A 86 9.273 -20.841 -9.405 1.00 5.13 H new ATOM 0 HB2 GLU A 86 8.425 -21.736 -11.533 1.00 22.13 H new ATOM 0 HB3 GLU A 86 8.496 -20.151 -12.278 1.00 22.13 H new ATOM 0 HG2 GLU A 86 10.958 -20.167 -12.136 1.00 13.22 H new ATOM 0 HG3 GLU A 86 10.920 -21.717 -11.319 1.00 13.22 H new ATOM 1410 N PHE A 87 9.288 -17.762 -10.528 1.00 22.32 N ATOM 1411 CA PHE A 87 10.060 -16.515 -10.582 1.00 2.45 C ATOM 1412 C PHE A 87 10.126 -15.825 -9.208 1.00 45.32 C ATOM 1413 O PHE A 87 11.170 -15.306 -8.816 1.00 51.02 O ATOM 1414 CB PHE A 87 9.433 -15.568 -11.615 1.00 44.14 C ATOM 1415 CG PHE A 87 10.330 -14.438 -12.064 1.00 54.14 C ATOM 1416 CD1 PHE A 87 11.433 -14.691 -12.868 1.00 43.44 C ATOM 1417 CD2 PHE A 87 10.061 -13.126 -11.701 1.00 72.44 C ATOM 1418 CE1 PHE A 87 12.249 -13.661 -13.296 1.00 0.44 C ATOM 1419 CE2 PHE A 87 10.873 -12.094 -12.131 1.00 70.50 C ATOM 1420 CZ PHE A 87 11.968 -12.362 -12.927 1.00 72.33 C ATOM 0 H PHE A 87 8.319 -17.667 -10.833 1.00 22.32 H new ATOM 0 HA PHE A 87 11.080 -16.762 -10.876 1.00 2.45 H new ATOM 0 HB2 PHE A 87 9.139 -16.149 -12.489 1.00 44.14 H new ATOM 0 HB3 PHE A 87 8.522 -15.144 -11.193 1.00 44.14 H new ATOM 0 HD1 PHE A 87 11.656 -15.706 -13.163 1.00 43.44 H new ATOM 0 HD2 PHE A 87 9.208 -12.909 -11.076 1.00 72.44 H new ATOM 0 HE1 PHE A 87 13.106 -13.873 -13.919 1.00 0.44 H new ATOM 0 HE2 PHE A 87 10.651 -11.077 -11.844 1.00 70.50 H new ATOM 0 HZ PHE A 87 12.604 -11.556 -13.261 1.00 72.33 H new ATOM 1430 N CYS A 88 9.006 -15.825 -8.479 1.00 73.42 N ATOM 1431 CA CYS A 88 8.913 -15.104 -7.197 1.00 33.04 C ATOM 1432 C CYS A 88 9.103 -16.018 -5.973 1.00 65.32 C ATOM 1433 O CYS A 88 9.907 -15.727 -5.090 1.00 74.23 O ATOM 1434 CB CYS A 88 7.551 -14.411 -7.091 1.00 72.52 C ATOM 1435 SG CYS A 88 7.128 -13.386 -8.517 1.00 3.32 S ATOM 0 H CYS A 88 8.152 -16.313 -8.750 1.00 73.42 H new ATOM 0 HA CYS A 88 9.724 -14.376 -7.191 1.00 33.04 H new ATOM 0 HB2 CYS A 88 6.779 -15.170 -6.961 1.00 72.52 H new ATOM 0 HB3 CYS A 88 7.541 -13.790 -6.195 1.00 72.52 H new ATOM 0 HG CYS A 88 7.012 -12.147 -8.142 1.00 3.32 H new ATOM 1441 N TYR A 89 8.367 -17.131 -5.926 1.00 24.44 N ATOM 1442 CA TYR A 89 8.292 -17.964 -4.709 1.00 12.01 C ATOM 1443 C TYR A 89 9.467 -18.959 -4.609 1.00 62.05 C ATOM 1444 O TYR A 89 9.443 -19.899 -3.812 1.00 62.31 O ATOM 1445 CB TYR A 89 6.943 -18.708 -4.679 1.00 2.03 C ATOM 1446 CG TYR A 89 6.573 -19.287 -3.321 1.00 62.50 C ATOM 1447 CD1 TYR A 89 6.167 -18.456 -2.281 1.00 14.55 C ATOM 1448 CD2 TYR A 89 6.623 -20.658 -3.079 1.00 74.34 C ATOM 1449 CE1 TYR A 89 5.827 -18.970 -1.044 1.00 74.54 C ATOM 1450 CE2 TYR A 89 6.283 -21.178 -1.843 1.00 11.25 C ATOM 1451 CZ TYR A 89 5.886 -20.330 -0.830 1.00 71.12 C ATOM 1452 OH TYR A 89 5.543 -20.845 0.403 1.00 22.42 O ATOM 0 H TYR A 89 7.815 -17.480 -6.709 1.00 24.44 H new ATOM 0 HA TYR A 89 8.366 -17.305 -3.844 1.00 12.01 H new ATOM 0 HB2 TYR A 89 6.157 -18.022 -4.994 1.00 2.03 H new ATOM 0 HB3 TYR A 89 6.972 -19.517 -5.409 1.00 2.03 H new ATOM 0 HD1 TYR A 89 6.117 -17.390 -2.444 1.00 14.55 H new ATOM 0 HD2 TYR A 89 6.932 -21.326 -3.869 1.00 74.34 H new ATOM 0 HE1 TYR A 89 5.516 -18.309 -0.249 1.00 74.54 H new ATOM 0 HE2 TYR A 89 6.328 -22.243 -1.672 1.00 11.25 H new ATOM 0 HH TYR A 89 5.638 -21.820 0.388 1.00 22.42 H new ATOM 1462 N LYS A 90 10.508 -18.741 -5.406 1.00 14.22 N ATOM 1463 CA LYS A 90 11.699 -19.595 -5.360 1.00 14.12 C ATOM 1464 C LYS A 90 12.517 -19.365 -4.079 1.00 20.35 C ATOM 1465 O LYS A 90 13.427 -18.544 -4.042 1.00 23.32 O ATOM 1466 CB LYS A 90 12.571 -19.400 -6.621 1.00 53.23 C ATOM 1467 CG LYS A 90 12.460 -18.021 -7.278 1.00 61.52 C ATOM 1468 CD LYS A 90 13.118 -16.898 -6.476 1.00 31.25 C ATOM 1469 CE LYS A 90 14.647 -16.930 -6.545 1.00 62.23 C ATOM 1470 NZ LYS A 90 15.241 -17.991 -5.689 1.00 12.34 N ATOM 0 H LYS A 90 10.555 -17.985 -6.090 1.00 14.22 H new ATOM 0 HA LYS A 90 11.357 -20.630 -5.343 1.00 14.12 H new ATOM 0 HB2 LYS A 90 13.613 -19.576 -6.354 1.00 53.23 H new ATOM 0 HB3 LYS A 90 12.297 -20.158 -7.355 1.00 53.23 H new ATOM 0 HG2 LYS A 90 12.916 -18.063 -8.267 1.00 61.52 H new ATOM 0 HG3 LYS A 90 11.406 -17.782 -7.422 1.00 61.52 H new ATOM 0 HD2 LYS A 90 12.763 -15.937 -6.848 1.00 31.25 H new ATOM 0 HD3 LYS A 90 12.805 -16.971 -5.434 1.00 31.25 H new ATOM 0 HE2 LYS A 90 14.956 -17.088 -7.578 1.00 62.23 H new ATOM 0 HE3 LYS A 90 15.040 -15.960 -6.239 1.00 62.23 H new ATOM 0 HZ1 LYS A 90 16.088 -17.620 -5.213 1.00 12.34 H new ATOM 0 HZ2 LYS A 90 14.546 -18.291 -4.975 1.00 12.34 H new ATOM 0 HZ3 LYS A 90 15.505 -18.806 -6.279 1.00 12.34 H new ATOM 1484 N THR A 91 12.186 -20.100 -3.022 1.00 22.13 N ATOM 1485 CA THR A 91 12.895 -19.966 -1.739 1.00 23.33 C ATOM 1486 C THR A 91 14.383 -20.348 -1.846 1.00 73.11 C ATOM 1487 O THR A 91 15.192 -20.003 -0.982 1.00 11.45 O ATOM 1488 CB THR A 91 12.235 -20.814 -0.624 1.00 10.30 C ATOM 1489 OG1 THR A 91 12.920 -20.605 0.621 1.00 32.44 O ATOM 1490 CG2 THR A 91 12.246 -22.300 -0.977 1.00 32.32 C ATOM 0 H THR A 91 11.437 -20.792 -3.021 1.00 22.13 H new ATOM 0 HA THR A 91 12.826 -18.911 -1.476 1.00 23.33 H new ATOM 0 HB THR A 91 11.197 -20.495 -0.528 1.00 10.30 H new ATOM 0 HG1 THR A 91 13.796 -20.201 0.449 1.00 32.44 H new ATOM 0 HG21 THR A 91 11.776 -22.868 -0.174 1.00 32.32 H new ATOM 0 HG22 THR A 91 11.695 -22.458 -1.904 1.00 32.32 H new ATOM 0 HG23 THR A 91 13.275 -22.636 -1.105 1.00 32.32 H new ATOM 1498 N SER A 92 14.740 -21.052 -2.916 1.00 13.21 N ATOM 1499 CA SER A 92 16.127 -21.479 -3.144 1.00 70.12 C ATOM 1500 C SER A 92 16.689 -20.899 -4.449 1.00 51.31 C ATOM 1501 O SER A 92 15.938 -20.543 -5.363 1.00 25.23 O ATOM 1502 CB SER A 92 16.208 -23.012 -3.180 1.00 12.44 C ATOM 1503 OG SER A 92 17.525 -23.458 -3.469 1.00 53.34 O ATOM 0 H SER A 92 14.089 -21.343 -3.645 1.00 13.21 H new ATOM 0 HA SER A 92 16.730 -21.100 -2.319 1.00 70.12 H new ATOM 0 HB2 SER A 92 15.888 -23.417 -2.220 1.00 12.44 H new ATOM 0 HB3 SER A 92 15.520 -23.396 -3.933 1.00 12.44 H new ATOM 0 HG SER A 92 17.543 -24.438 -3.483 1.00 53.34 H new ATOM 1509 N ALA A 93 18.014 -20.789 -4.519 1.00 11.02 N ATOM 1510 CA ALA A 93 18.707 -20.328 -5.728 1.00 33.14 C ATOM 1511 C ALA A 93 20.011 -21.113 -5.934 1.00 1.13 C ATOM 1512 O ALA A 93 21.040 -20.807 -5.328 1.00 34.51 O ATOM 1513 CB ALA A 93 18.980 -18.829 -5.648 1.00 71.24 C ATOM 0 H ALA A 93 18.638 -21.015 -3.745 1.00 11.02 H new ATOM 0 HA ALA A 93 18.063 -20.510 -6.588 1.00 33.14 H new ATOM 0 HB1 ALA A 93 19.494 -18.504 -6.552 1.00 71.24 H new ATOM 0 HB2 ALA A 93 18.036 -18.292 -5.554 1.00 71.24 H new ATOM 0 HB3 ALA A 93 19.605 -18.619 -4.780 1.00 71.24 H new