USER MOD reduce.3.24.130724 H: found=0, std=0, add=1050, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1045 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 122 MET CE :methyl -111:sc= -0.0593 (180deg=-0.29) USER MOD Set 1.2: A 126 GLN : amide:sc= 0.837 K(o=0.78,f=-5.9!) USER MOD Set 2.1: A 113 THR OG1 : rot 180:sc= 0.0805 USER MOD Set 2.2: A 114 HIS : no HE2:sc= 0.227 K(o=0.31,f=-1.1) USER MOD Set 3.1: A 93 THR OG1 : rot 180:sc= 0.0692 USER MOD Set 3.2: A 95 MET CE :methyl 156:sc= -0.215 (180deg=-1.14) USER MOD Set 4.1: A 60 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 62 GLN : amide:sc= 0 X(o=0,f=-0.00098) USER MOD Single : A 1 ILE N :NH3+ -167:sc=-0.00453 (180deg=-0.2) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.11 X(o=-0.11,f=-0.11) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -3.02! K(o=-3!,f=-2.2) USER MOD Single : A 20 THR OG1 : rot 161:sc= 1.22 USER MOD Single : A 21 GLN : amide:sc= -0.382 K(o=-0.38,f=-1.5!) USER MOD Single : A 26 THR OG1 : rot -100:sc= 0.545 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.0561 X(o=-0.056,f=-0.071) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0502 USER MOD Single : A 55 THR OG1 : rot 92:sc= 0.191 USER MOD Single : A 57 SER OG : rot 180:sc= 0.286 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -0.0192 X(o=-0.019,f=-0.0091) USER MOD Single : A 66 SER OG : rot 130:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0.204 USER MOD Single : A 72 ASN : amide:sc= -0.519 X(o=-0.52,f=-0.02) USER MOD Single : A 74 TYR OH : rot 30:sc= -0.088 USER MOD Single : A 75 MET CE :methyl 155:sc= -0.94 (180deg=-2.83!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 109:sc= 0.814 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 163:sc= 0.183 (180deg=0.105) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 MET CE :methyl 166:sc=-0.00424 (180deg=-0.243) USER MOD Single : A 99 THR OG1 : rot 180:sc=-0.00241 USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 TYR OH : rot 150:sc=-0.00286 USER MOD Single : A 110 ASN : amide:sc= 0.734 K(o=0.73,f=0) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 GLN : amide:sc= 0.274 K(o=0.27,f=-8.9!) USER MOD Single : A 127 GLN : amide:sc= 0.0816 X(o=0.082,f=0) USER MOD Single : A 128 MET CE :methyl -176:sc= -2.68 (180deg=-2.73) USER MOD Single : A 129 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 134 ASN : amide:sc= 0 K(o=0,f=-1.8) USER MOD Single : A 137 THR OG1 : rot 180:sc= -0.0492 USER MOD Single : A 139 THR OG1 : rot 180:sc= 0 USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 144 THR OG1 : rot 180:sc=-5.6e-06 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 40.991 3.032 7.638 1.00 0.00 N ATOM 2 CA ILE A 1 40.467 3.589 6.382 1.00 0.00 C ATOM 3 C ILE A 1 41.369 3.098 5.250 1.00 0.00 C ATOM 4 O ILE A 1 42.376 3.746 4.974 1.00 0.00 O ATOM 5 CB ILE A 1 40.305 5.131 6.430 1.00 0.00 C ATOM 6 CG1 ILE A 1 39.526 5.610 7.677 1.00 0.00 C ATOM 7 CG2 ILE A 1 39.621 5.668 5.161 1.00 0.00 C ATOM 8 CD1 ILE A 1 38.133 4.989 7.855 1.00 0.00 C ATOM 0 H1 ILE A 1 40.288 3.159 8.394 1.00 0.00 H new ATOM 0 H2 ILE A 1 41.186 2.018 7.513 1.00 0.00 H new ATOM 0 H3 ILE A 1 41.870 3.525 7.896 1.00 0.00 H new ATOM 0 HA ILE A 1 39.451 3.234 6.208 1.00 0.00 H new ATOM 0 HB ILE A 1 41.317 5.533 6.489 1.00 0.00 H new ATOM 0 HG12 ILE A 1 40.120 5.390 8.564 1.00 0.00 H new ATOM 0 HG13 ILE A 1 39.419 6.694 7.625 1.00 0.00 H new ATOM 0 HG21 ILE A 1 39.525 6.752 5.230 1.00 0.00 H new ATOM 0 HG22 ILE A 1 40.222 5.412 4.288 1.00 0.00 H new ATOM 0 HG23 ILE A 1 38.632 5.221 5.064 1.00 0.00 H new ATOM 0 HD11 ILE A 1 37.669 5.389 8.757 1.00 0.00 H new ATOM 0 HD12 ILE A 1 37.514 5.230 6.991 1.00 0.00 H new ATOM 0 HD13 ILE A 1 38.226 3.907 7.944 1.00 0.00 H new ATOM 20 N PRO A 2 41.117 1.908 4.676 1.00 0.00 N ATOM 21 CA PRO A 2 41.522 1.678 3.292 1.00 0.00 C ATOM 22 C PRO A 2 40.754 2.663 2.390 1.00 0.00 C ATOM 23 O PRO A 2 39.849 3.349 2.866 1.00 0.00 O ATOM 24 CB PRO A 2 41.151 0.220 3.008 1.00 0.00 C ATOM 25 CG PRO A 2 39.891 0.023 3.849 1.00 0.00 C ATOM 26 CD PRO A 2 40.124 0.914 5.073 1.00 0.00 C ATOM 0 HA PRO A 2 42.584 1.840 3.108 1.00 0.00 H new ATOM 0 HB2 PRO A 2 40.961 0.050 1.948 1.00 0.00 H new ATOM 0 HB3 PRO A 2 41.946 -0.465 3.303 1.00 0.00 H new ATOM 0 HG2 PRO A 2 38.995 0.320 3.303 1.00 0.00 H new ATOM 0 HG3 PRO A 2 39.759 -1.021 4.134 1.00 0.00 H new ATOM 0 HD2 PRO A 2 39.197 1.395 5.386 1.00 0.00 H new ATOM 0 HD3 PRO A 2 40.480 0.326 5.919 1.00 0.00 H new ATOM 34 N LYS A 3 41.091 2.707 1.103 1.00 0.00 N ATOM 35 CA LYS A 3 40.272 3.347 0.078 1.00 0.00 C ATOM 36 C LYS A 3 39.749 2.248 -0.839 1.00 0.00 C ATOM 37 O LYS A 3 40.268 1.126 -0.789 1.00 0.00 O ATOM 38 CB LYS A 3 41.098 4.369 -0.715 1.00 0.00 C ATOM 39 CG LYS A 3 41.370 5.643 0.101 1.00 0.00 C ATOM 40 CD LYS A 3 42.281 6.615 -0.658 1.00 0.00 C ATOM 41 CE LYS A 3 43.728 6.104 -0.672 1.00 0.00 C ATOM 42 NZ LYS A 3 44.620 6.984 -1.457 1.00 0.00 N ATOM 0 H LYS A 3 41.950 2.295 0.739 1.00 0.00 H new ATOM 0 HA LYS A 3 39.443 3.888 0.534 1.00 0.00 H new ATOM 0 HB2 LYS A 3 42.045 3.919 -1.011 1.00 0.00 H new ATOM 0 HB3 LYS A 3 40.569 4.631 -1.631 1.00 0.00 H new ATOM 0 HG2 LYS A 3 40.426 6.135 0.334 1.00 0.00 H new ATOM 0 HG3 LYS A 3 41.833 5.376 1.051 1.00 0.00 H new ATOM 0 HD2 LYS A 3 41.922 6.734 -1.680 1.00 0.00 H new ATOM 0 HD3 LYS A 3 42.242 7.599 -0.190 1.00 0.00 H new ATOM 0 HE2 LYS A 3 44.097 6.034 0.351 1.00 0.00 H new ATOM 0 HE3 LYS A 3 43.753 5.098 -1.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 45.587 6.602 -1.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 44.284 7.031 -2.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 44.617 7.938 -1.044 1.00 0.00 H new ATOM 56 N HIS A 4 38.760 2.562 -1.667 1.00 0.00 N ATOM 57 CA HIS A 4 38.361 1.692 -2.766 1.00 0.00 C ATOM 58 C HIS A 4 39.521 1.526 -3.769 1.00 0.00 C ATOM 59 O HIS A 4 40.451 2.338 -3.786 1.00 0.00 O ATOM 60 CB HIS A 4 37.110 2.268 -3.450 1.00 0.00 C ATOM 61 CG HIS A 4 35.804 1.880 -2.799 1.00 0.00 C ATOM 62 ND1 HIS A 4 34.653 1.551 -3.478 1.00 0.00 N ATOM 63 CD2 HIS A 4 35.539 1.769 -1.458 1.00 0.00 C ATOM 64 CE1 HIS A 4 33.727 1.205 -2.568 1.00 0.00 C ATOM 65 NE2 HIS A 4 34.217 1.329 -1.322 1.00 0.00 N ATOM 0 H HIS A 4 38.215 3.421 -1.596 1.00 0.00 H new ATOM 0 HA HIS A 4 38.118 0.704 -2.376 1.00 0.00 H new ATOM 0 HB2 HIS A 4 37.186 3.355 -3.462 1.00 0.00 H new ATOM 0 HB3 HIS A 4 37.095 1.938 -4.489 1.00 0.00 H new ATOM 0 HD2 HIS A 4 36.226 1.982 -0.652 1.00 0.00 H new ATOM 0 HE1 HIS A 4 32.727 0.873 -2.805 1.00 0.00 H new ATOM 0 HE2 HIS A 4 33.723 1.140 -0.450 1.00 0.00 H new ATOM 73 N PRO A 5 39.475 0.484 -4.623 1.00 0.00 N ATOM 74 CA PRO A 5 40.395 0.322 -5.747 1.00 0.00 C ATOM 75 C PRO A 5 40.008 1.183 -6.963 1.00 0.00 C ATOM 76 O PRO A 5 40.742 1.193 -7.948 1.00 0.00 O ATOM 77 CB PRO A 5 40.311 -1.168 -6.096 1.00 0.00 C ATOM 78 CG PRO A 5 38.851 -1.503 -5.792 1.00 0.00 C ATOM 79 CD PRO A 5 38.560 -0.650 -4.557 1.00 0.00 C ATOM 0 HA PRO A 5 41.401 0.647 -5.480 1.00 0.00 H new ATOM 0 HB2 PRO A 5 40.560 -1.354 -7.141 1.00 0.00 H new ATOM 0 HB3 PRO A 5 40.997 -1.764 -5.494 1.00 0.00 H new ATOM 0 HG2 PRO A 5 38.195 -1.247 -6.624 1.00 0.00 H new ATOM 0 HG3 PRO A 5 38.713 -2.566 -5.592 1.00 0.00 H new ATOM 0 HD2 PRO A 5 37.523 -0.314 -4.551 1.00 0.00 H new ATOM 0 HD3 PRO A 5 38.715 -1.223 -3.643 1.00 0.00 H new ATOM 87 N ASP A 6 38.859 1.856 -6.910 1.00 0.00 N ATOM 88 CA ASP A 6 38.291 2.749 -7.916 1.00 0.00 C ATOM 89 C ASP A 6 37.640 3.902 -7.130 1.00 0.00 C ATOM 90 O ASP A 6 38.019 4.139 -5.979 1.00 0.00 O ATOM 91 CB ASP A 6 37.316 1.982 -8.833 1.00 0.00 C ATOM 92 CG ASP A 6 36.876 2.835 -10.030 1.00 0.00 C ATOM 93 OD1 ASP A 6 37.695 3.020 -10.952 1.00 0.00 O ATOM 94 OD2 ASP A 6 35.743 3.367 -9.978 1.00 0.00 O ATOM 0 H ASP A 6 38.252 1.783 -6.093 1.00 0.00 H new ATOM 0 HA ASP A 6 39.040 3.154 -8.597 1.00 0.00 H new ATOM 0 HB2 ASP A 6 37.794 1.070 -9.191 1.00 0.00 H new ATOM 0 HB3 ASP A 6 36.440 1.678 -8.260 1.00 0.00 H new ATOM 99 N SER A 7 36.704 4.648 -7.709 1.00 0.00 N ATOM 100 CA SER A 7 35.988 5.720 -7.048 1.00 0.00 C ATOM 101 C SER A 7 35.126 5.183 -5.898 1.00 0.00 C ATOM 102 O SER A 7 34.750 4.008 -5.845 1.00 0.00 O ATOM 103 CB SER A 7 35.134 6.424 -8.108 1.00 0.00 C ATOM 104 OG SER A 7 34.761 7.729 -7.702 1.00 0.00 O ATOM 0 H SER A 7 36.419 4.515 -8.679 1.00 0.00 H new ATOM 0 HA SER A 7 36.688 6.426 -6.602 1.00 0.00 H new ATOM 0 HB2 SER A 7 35.690 6.480 -9.044 1.00 0.00 H new ATOM 0 HB3 SER A 7 34.238 5.834 -8.303 1.00 0.00 H new ATOM 0 HG SER A 7 34.219 8.147 -8.403 1.00 0.00 H new ATOM 110 N GLU A 8 34.728 6.098 -5.017 1.00 0.00 N ATOM 111 CA GLU A 8 33.945 5.832 -3.810 1.00 0.00 C ATOM 112 C GLU A 8 32.509 6.357 -3.954 1.00 0.00 C ATOM 113 O GLU A 8 31.763 6.500 -2.982 1.00 0.00 O ATOM 114 CB GLU A 8 34.702 6.409 -2.594 1.00 0.00 C ATOM 115 CG GLU A 8 35.963 5.555 -2.335 1.00 0.00 C ATOM 116 CD GLU A 8 36.945 6.017 -1.249 1.00 0.00 C ATOM 117 OE1 GLU A 8 36.888 7.182 -0.799 1.00 0.00 O ATOM 118 OE2 GLU A 8 37.816 5.175 -0.910 1.00 0.00 O ATOM 0 H GLU A 8 34.951 7.087 -5.128 1.00 0.00 H new ATOM 0 HA GLU A 8 33.837 4.759 -3.653 1.00 0.00 H new ATOM 0 HB2 GLU A 8 34.981 7.446 -2.782 1.00 0.00 H new ATOM 0 HB3 GLU A 8 34.059 6.407 -1.714 1.00 0.00 H new ATOM 0 HG2 GLU A 8 35.635 4.547 -2.080 1.00 0.00 H new ATOM 0 HG3 GLU A 8 36.514 5.483 -3.273 1.00 0.00 H new ATOM 125 N ALA A 9 32.123 6.664 -5.193 1.00 0.00 N ATOM 126 CA ALA A 9 30.887 7.328 -5.562 1.00 0.00 C ATOM 127 C ALA A 9 29.712 6.340 -5.569 1.00 0.00 C ATOM 128 O ALA A 9 29.174 5.973 -6.619 1.00 0.00 O ATOM 129 CB ALA A 9 31.062 8.025 -6.918 1.00 0.00 C ATOM 0 H ALA A 9 32.700 6.441 -6.004 1.00 0.00 H new ATOM 0 HA ALA A 9 30.651 8.088 -4.817 1.00 0.00 H new ATOM 0 HB1 ALA A 9 30.133 8.523 -7.194 1.00 0.00 H new ATOM 0 HB2 ALA A 9 31.862 8.762 -6.848 1.00 0.00 H new ATOM 0 HB3 ALA A 9 31.316 7.285 -7.677 1.00 0.00 H new ATOM 135 N VAL A 10 29.322 5.907 -4.380 1.00 0.00 N ATOM 136 CA VAL A 10 28.214 5.007 -4.111 1.00 0.00 C ATOM 137 C VAL A 10 27.061 5.865 -3.589 1.00 0.00 C ATOM 138 O VAL A 10 27.182 6.505 -2.540 1.00 0.00 O ATOM 139 CB VAL A 10 28.682 3.922 -3.120 1.00 0.00 C ATOM 140 CG1 VAL A 10 27.532 2.991 -2.722 1.00 0.00 C ATOM 141 CG2 VAL A 10 29.825 3.091 -3.734 1.00 0.00 C ATOM 0 H VAL A 10 29.801 6.193 -3.526 1.00 0.00 H new ATOM 0 HA VAL A 10 27.867 4.477 -4.998 1.00 0.00 H new ATOM 0 HB VAL A 10 29.040 4.430 -2.225 1.00 0.00 H new ATOM 0 HG11 VAL A 10 27.898 2.239 -2.023 1.00 0.00 H new ATOM 0 HG12 VAL A 10 26.741 3.572 -2.248 1.00 0.00 H new ATOM 0 HG13 VAL A 10 27.138 2.499 -3.611 1.00 0.00 H new ATOM 0 HG21 VAL A 10 30.144 2.330 -3.022 1.00 0.00 H new ATOM 0 HG22 VAL A 10 29.475 2.610 -4.647 1.00 0.00 H new ATOM 0 HG23 VAL A 10 30.665 3.745 -3.967 1.00 0.00 H new ATOM 151 N ALA A 11 25.968 5.932 -4.352 1.00 0.00 N ATOM 152 CA ALA A 11 24.766 6.649 -3.946 1.00 0.00 C ATOM 153 C ALA A 11 24.138 5.979 -2.709 1.00 0.00 C ATOM 154 O ALA A 11 24.270 4.762 -2.535 1.00 0.00 O ATOM 155 CB ALA A 11 23.768 6.702 -5.112 1.00 0.00 C ATOM 0 H ALA A 11 25.895 5.489 -5.268 1.00 0.00 H new ATOM 0 HA ALA A 11 25.033 7.671 -3.677 1.00 0.00 H new ATOM 0 HB1 ALA A 11 22.872 7.240 -4.800 1.00 0.00 H new ATOM 0 HB2 ALA A 11 24.224 7.216 -5.958 1.00 0.00 H new ATOM 0 HB3 ALA A 11 23.498 5.688 -5.406 1.00 0.00 H new ATOM 161 N PRO A 12 23.438 6.750 -1.859 1.00 0.00 N ATOM 162 CA PRO A 12 22.867 6.259 -0.620 1.00 0.00 C ATOM 163 C PRO A 12 21.544 5.515 -0.845 1.00 0.00 C ATOM 164 O PRO A 12 21.038 5.437 -1.969 1.00 0.00 O ATOM 165 CB PRO A 12 22.698 7.505 0.247 1.00 0.00 C ATOM 166 CG PRO A 12 22.340 8.569 -0.775 1.00 0.00 C ATOM 167 CD PRO A 12 23.213 8.180 -1.969 1.00 0.00 C ATOM 0 HA PRO A 12 23.507 5.519 -0.141 1.00 0.00 H new ATOM 0 HB2 PRO A 12 21.913 7.378 0.992 1.00 0.00 H new ATOM 0 HB3 PRO A 12 23.613 7.751 0.786 1.00 0.00 H new ATOM 0 HG2 PRO A 12 21.279 8.553 -1.024 1.00 0.00 H new ATOM 0 HG3 PRO A 12 22.567 9.572 -0.414 1.00 0.00 H new ATOM 0 HD2 PRO A 12 22.718 8.425 -2.909 1.00 0.00 H new ATOM 0 HD3 PRO A 12 24.157 8.725 -1.955 1.00 0.00 H new ATOM 175 N ASP A 13 20.961 5.022 0.248 1.00 0.00 N ATOM 176 CA ASP A 13 19.786 4.148 0.274 1.00 0.00 C ATOM 177 C ASP A 13 18.587 4.751 -0.483 1.00 0.00 C ATOM 178 O ASP A 13 18.414 5.981 -0.482 1.00 0.00 O ATOM 179 CB ASP A 13 19.410 3.845 1.739 1.00 0.00 C ATOM 180 CG ASP A 13 19.035 2.380 1.937 1.00 0.00 C ATOM 181 OD1 ASP A 13 19.941 1.530 1.792 1.00 0.00 O ATOM 182 OD2 ASP A 13 17.877 2.055 2.278 1.00 0.00 O ATOM 0 H ASP A 13 21.311 5.230 1.183 1.00 0.00 H new ATOM 0 HA ASP A 13 20.043 3.222 -0.241 1.00 0.00 H new ATOM 0 HB2 ASP A 13 20.248 4.096 2.389 1.00 0.00 H new ATOM 0 HB3 ASP A 13 18.574 4.478 2.038 1.00 0.00 H new ATOM 187 N PRO A 14 17.756 3.922 -1.141 1.00 0.00 N ATOM 188 CA PRO A 14 16.530 4.360 -1.804 1.00 0.00 C ATOM 189 C PRO A 14 15.415 4.664 -0.791 1.00 0.00 C ATOM 190 O PRO A 14 15.596 4.484 0.418 1.00 0.00 O ATOM 191 CB PRO A 14 16.158 3.205 -2.736 1.00 0.00 C ATOM 192 CG PRO A 14 16.674 1.978 -1.994 1.00 0.00 C ATOM 193 CD PRO A 14 17.949 2.491 -1.342 1.00 0.00 C ATOM 0 HA PRO A 14 16.671 5.292 -2.352 1.00 0.00 H new ATOM 0 HB2 PRO A 14 15.082 3.152 -2.902 1.00 0.00 H new ATOM 0 HB3 PRO A 14 16.627 3.310 -3.714 1.00 0.00 H new ATOM 0 HG2 PRO A 14 15.957 1.621 -1.255 1.00 0.00 H new ATOM 0 HG3 PRO A 14 16.872 1.148 -2.673 1.00 0.00 H new ATOM 0 HD2 PRO A 14 18.132 1.986 -0.394 1.00 0.00 H new ATOM 0 HD3 PRO A 14 18.815 2.300 -1.976 1.00 0.00 H new ATOM 201 N PHE A 15 14.244 5.088 -1.298 1.00 0.00 N ATOM 202 CA PHE A 15 13.157 5.716 -0.545 1.00 0.00 C ATOM 203 C PHE A 15 13.660 6.983 0.160 1.00 0.00 C ATOM 204 O PHE A 15 14.850 7.303 0.158 1.00 0.00 O ATOM 205 CB PHE A 15 12.520 4.715 0.431 1.00 0.00 C ATOM 206 CG PHE A 15 12.218 3.334 -0.128 1.00 0.00 C ATOM 207 CD1 PHE A 15 11.066 3.115 -0.901 1.00 0.00 C ATOM 208 CD2 PHE A 15 13.061 2.250 0.172 1.00 0.00 C ATOM 209 CE1 PHE A 15 10.699 1.809 -1.275 1.00 0.00 C ATOM 210 CE2 PHE A 15 12.690 0.941 -0.186 1.00 0.00 C ATOM 211 CZ PHE A 15 11.495 0.717 -0.891 1.00 0.00 C ATOM 0 H PHE A 15 14.025 4.995 -2.290 1.00 0.00 H new ATOM 0 HA PHE A 15 12.373 6.021 -1.239 1.00 0.00 H new ATOM 0 HB2 PHE A 15 13.185 4.600 1.287 1.00 0.00 H new ATOM 0 HB3 PHE A 15 11.590 5.145 0.805 1.00 0.00 H new ATOM 0 HD1 PHE A 15 10.459 3.953 -1.210 1.00 0.00 H new ATOM 0 HD2 PHE A 15 13.998 2.423 0.680 1.00 0.00 H new ATOM 0 HE1 PHE A 15 9.804 1.646 -1.858 1.00 0.00 H new ATOM 0 HE2 PHE A 15 13.324 0.108 0.081 1.00 0.00 H new ATOM 0 HZ PHE A 15 11.190 -0.290 -1.136 1.00 0.00 H new ATOM 221 N ASN A 16 12.737 7.762 0.725 1.00 0.00 N ATOM 222 CA ASN A 16 13.073 8.827 1.675 1.00 0.00 C ATOM 223 C ASN A 16 11.791 9.276 2.377 1.00 0.00 C ATOM 224 O ASN A 16 10.738 9.296 1.727 1.00 0.00 O ATOM 225 CB ASN A 16 13.705 10.033 0.942 1.00 0.00 C ATOM 226 CG ASN A 16 14.759 10.748 1.777 1.00 0.00 C ATOM 227 OD1 ASN A 16 15.565 10.128 2.457 1.00 0.00 O ATOM 228 ND2 ASN A 16 14.788 12.064 1.759 1.00 0.00 N ATOM 0 H ASN A 16 11.738 7.674 0.539 1.00 0.00 H new ATOM 0 HA ASN A 16 13.793 8.447 2.400 1.00 0.00 H new ATOM 0 HB2 ASN A 16 14.157 9.690 0.011 1.00 0.00 H new ATOM 0 HB3 ASN A 16 12.920 10.740 0.673 1.00 0.00 H new ATOM 0 HD21 ASN A 16 15.482 12.566 2.312 1.00 0.00 H new ATOM 0 HD22 ASN A 16 14.116 12.581 1.192 1.00 0.00 H new ATOM 235 N PRO A 17 11.829 9.716 3.645 1.00 0.00 N ATOM 236 CA PRO A 17 10.664 10.284 4.320 1.00 0.00 C ATOM 237 C PRO A 17 10.197 11.571 3.634 1.00 0.00 C ATOM 238 O PRO A 17 9.006 11.880 3.640 1.00 0.00 O ATOM 239 CB PRO A 17 11.079 10.519 5.777 1.00 0.00 C ATOM 240 CG PRO A 17 12.607 10.465 5.757 1.00 0.00 C ATOM 241 CD PRO A 17 12.954 9.606 4.551 1.00 0.00 C ATOM 0 HA PRO A 17 9.811 9.607 4.275 1.00 0.00 H new ATOM 0 HB2 PRO A 17 10.721 11.482 6.141 1.00 0.00 H new ATOM 0 HB3 PRO A 17 10.664 9.756 6.435 1.00 0.00 H new ATOM 0 HG2 PRO A 17 13.036 11.463 5.668 1.00 0.00 H new ATOM 0 HG3 PRO A 17 12.999 10.031 6.677 1.00 0.00 H new ATOM 0 HD2 PRO A 17 13.872 9.952 4.077 1.00 0.00 H new ATOM 0 HD3 PRO A 17 13.118 8.569 4.845 1.00 0.00 H new ATOM 249 N ALA A 18 11.107 12.282 2.960 1.00 0.00 N ATOM 250 CA ALA A 18 10.803 13.470 2.179 1.00 0.00 C ATOM 251 C ALA A 18 9.991 13.193 0.909 1.00 0.00 C ATOM 252 O ALA A 18 9.777 14.117 0.127 1.00 0.00 O ATOM 253 CB ALA A 18 12.104 14.174 1.816 1.00 0.00 C ATOM 0 H ALA A 18 12.097 12.036 2.947 1.00 0.00 H new ATOM 0 HA ALA A 18 10.173 14.103 2.805 1.00 0.00 H new ATOM 0 HB1 ALA A 18 11.884 15.066 1.230 1.00 0.00 H new ATOM 0 HB2 ALA A 18 12.630 14.459 2.727 1.00 0.00 H new ATOM 0 HB3 ALA A 18 12.731 13.501 1.231 1.00 0.00 H new ATOM 259 N ALA A 19 9.558 11.962 0.648 1.00 0.00 N ATOM 260 CA ALA A 19 8.533 11.703 -0.351 1.00 0.00 C ATOM 261 C ALA A 19 7.161 11.515 0.302 1.00 0.00 C ATOM 262 O ALA A 19 6.148 11.588 -0.392 1.00 0.00 O ATOM 263 CB ALA A 19 8.963 10.521 -1.214 1.00 0.00 C ATOM 0 H ALA A 19 9.905 11.127 1.119 1.00 0.00 H new ATOM 0 HA ALA A 19 8.424 12.566 -1.008 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.199 10.322 -1.965 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.905 10.756 -1.709 1.00 0.00 H new ATOM 0 HB3 ALA A 19 9.093 9.640 -0.586 1.00 0.00 H new ATOM 269 N THR A 20 7.077 11.320 1.620 1.00 0.00 N ATOM 270 CA THR A 20 5.814 10.968 2.248 1.00 0.00 C ATOM 271 C THR A 20 4.935 12.189 2.545 1.00 0.00 C ATOM 272 O THR A 20 3.724 12.044 2.675 1.00 0.00 O ATOM 273 CB THR A 20 6.043 10.120 3.504 1.00 0.00 C ATOM 274 OG1 THR A 20 7.189 9.286 3.405 1.00 0.00 O ATOM 275 CG2 THR A 20 4.809 9.239 3.719 1.00 0.00 C ATOM 0 H THR A 20 7.865 11.400 2.263 1.00 0.00 H new ATOM 0 HA THR A 20 5.262 10.366 1.527 1.00 0.00 H new ATOM 0 HB THR A 20 6.209 10.800 4.340 1.00 0.00 H new ATOM 0 HG1 THR A 20 7.467 9.004 4.301 1.00 0.00 H new ATOM 0 HG21 THR A 20 4.950 8.626 4.609 1.00 0.00 H new ATOM 0 HG22 THR A 20 3.930 9.870 3.849 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.668 8.593 2.852 1.00 0.00 H new ATOM 283 N GLN A 21 5.486 13.407 2.612 1.00 0.00 N ATOM 284 CA GLN A 21 4.659 14.603 2.811 1.00 0.00 C ATOM 285 C GLN A 21 3.746 14.921 1.623 1.00 0.00 C ATOM 286 O GLN A 21 2.918 15.818 1.736 1.00 0.00 O ATOM 287 CB GLN A 21 5.523 15.816 3.171 1.00 0.00 C ATOM 288 CG GLN A 21 6.561 16.240 2.120 1.00 0.00 C ATOM 289 CD GLN A 21 8.022 16.148 2.563 1.00 0.00 C ATOM 290 OE1 GLN A 21 8.390 15.898 3.710 1.00 0.00 O ATOM 291 NE2 GLN A 21 8.917 16.324 1.618 1.00 0.00 N ATOM 0 H GLN A 21 6.486 13.589 2.533 1.00 0.00 H new ATOM 0 HA GLN A 21 4.001 14.374 3.649 1.00 0.00 H new ATOM 0 HB2 GLN A 21 4.864 16.662 3.363 1.00 0.00 H new ATOM 0 HB3 GLN A 21 6.046 15.601 4.103 1.00 0.00 H new ATOM 0 HG2 GLN A 21 6.429 15.620 1.233 1.00 0.00 H new ATOM 0 HG3 GLN A 21 6.353 17.268 1.824 1.00 0.00 H new ATOM 0 HE21 GLN A 21 8.618 16.532 0.665 1.00 0.00 H new ATOM 0 HE22 GLN A 21 9.911 16.253 1.837 1.00 0.00 H new ATOM 300 N LEU A 22 3.902 14.225 0.494 1.00 0.00 N ATOM 301 CA LEU A 22 3.138 14.455 -0.728 1.00 0.00 C ATOM 302 C LEU A 22 1.979 13.459 -0.812 1.00 0.00 C ATOM 303 O LEU A 22 1.365 13.281 -1.861 1.00 0.00 O ATOM 304 CB LEU A 22 4.055 14.402 -1.969 1.00 0.00 C ATOM 305 CG LEU A 22 5.285 15.340 -1.953 1.00 0.00 C ATOM 306 CD1 LEU A 22 5.014 16.702 -1.300 1.00 0.00 C ATOM 307 CD2 LEU A 22 6.515 14.661 -1.329 1.00 0.00 C ATOM 0 H LEU A 22 4.580 13.468 0.405 1.00 0.00 H new ATOM 0 HA LEU A 22 2.710 15.457 -0.703 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.407 13.378 -2.090 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.455 14.639 -2.848 1.00 0.00 H new ATOM 0 HG LEU A 22 5.504 15.545 -3.001 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.922 17.305 -1.326 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.222 17.216 -1.845 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.706 16.554 -0.265 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.356 15.354 -1.337 1.00 0.00 H new ATOM 0 HD22 LEU A 22 6.291 14.375 -0.301 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.771 13.772 -1.905 1.00 0.00 H new ATOM 319 N LEU A 23 1.669 12.775 0.290 1.00 0.00 N ATOM 320 CA LEU A 23 0.551 11.834 0.373 1.00 0.00 C ATOM 321 C LEU A 23 -0.770 12.585 0.623 1.00 0.00 C ATOM 322 O LEU A 23 -1.653 12.057 1.288 1.00 0.00 O ATOM 323 CB LEU A 23 0.888 10.709 1.378 1.00 0.00 C ATOM 324 CG LEU A 23 1.732 9.540 0.821 1.00 0.00 C ATOM 325 CD1 LEU A 23 0.891 8.593 -0.034 1.00 0.00 C ATOM 326 CD2 LEU A 23 2.929 9.958 -0.039 1.00 0.00 C ATOM 0 H LEU A 23 2.194 12.860 1.161 1.00 0.00 H new ATOM 0 HA LEU A 23 0.395 11.327 -0.579 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.422 11.148 2.221 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.046 10.304 1.768 1.00 0.00 H new ATOM 0 HG LEU A 23 2.106 9.055 1.723 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.520 7.785 -0.407 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.085 8.176 0.570 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.468 9.142 -0.875 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.458 9.069 -0.383 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.578 10.527 -0.900 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.604 10.576 0.553 1.00 0.00 H new ATOM 338 N ASP A 24 -0.901 13.820 0.122 1.00 0.00 N ATOM 339 CA ASP A 24 -2.148 14.586 0.181 1.00 0.00 C ATOM 340 C ASP A 24 -3.046 14.214 -0.994 1.00 0.00 C ATOM 341 O ASP A 24 -4.171 13.771 -0.776 1.00 0.00 O ATOM 342 CB ASP A 24 -1.896 16.097 0.207 1.00 0.00 C ATOM 343 CG ASP A 24 -3.155 16.844 0.672 1.00 0.00 C ATOM 344 OD1 ASP A 24 -3.355 16.928 1.911 1.00 0.00 O ATOM 345 OD2 ASP A 24 -3.880 17.426 -0.157 1.00 0.00 O ATOM 0 H ASP A 24 -0.138 14.317 -0.338 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.650 14.328 1.114 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.065 16.322 0.875 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.608 16.441 -0.786 1.00 0.00 H new ATOM 350 N ASP A 25 -2.515 14.323 -2.220 1.00 0.00 N ATOM 351 CA ASP A 25 -3.237 14.152 -3.487 1.00 0.00 C ATOM 352 C ASP A 25 -2.704 12.999 -4.339 1.00 0.00 C ATOM 353 O ASP A 25 -3.164 12.810 -5.466 1.00 0.00 O ATOM 354 CB ASP A 25 -3.191 15.443 -4.326 1.00 0.00 C ATOM 355 CG ASP A 25 -1.858 15.617 -5.067 1.00 0.00 C ATOM 356 OD1 ASP A 25 -0.917 16.166 -4.448 1.00 0.00 O ATOM 357 OD2 ASP A 25 -1.725 15.224 -6.252 1.00 0.00 O ATOM 0 H ASP A 25 -1.529 14.542 -2.361 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.263 13.915 -3.205 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.006 15.431 -5.050 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.355 16.301 -3.675 1.00 0.00 H new ATOM 362 N THR A 26 -1.713 12.237 -3.873 1.00 0.00 N ATOM 363 CA THR A 26 -1.144 11.166 -4.685 1.00 0.00 C ATOM 364 C THR A 26 -2.037 9.921 -4.671 1.00 0.00 C ATOM 365 O THR A 26 -2.819 9.663 -3.758 1.00 0.00 O ATOM 366 CB THR A 26 0.309 10.870 -4.274 1.00 0.00 C ATOM 367 OG1 THR A 26 0.465 10.814 -2.878 1.00 0.00 O ATOM 368 CG2 THR A 26 1.260 11.961 -4.770 1.00 0.00 C ATOM 0 H THR A 26 -1.294 12.341 -2.949 1.00 0.00 H new ATOM 0 HA THR A 26 -1.109 11.503 -5.721 1.00 0.00 H new ATOM 0 HB THR A 26 0.545 9.905 -4.722 1.00 0.00 H new ATOM 0 HG1 THR A 26 0.840 11.660 -2.557 1.00 0.00 H new ATOM 0 HG21 THR A 26 2.279 11.723 -4.464 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.212 12.018 -5.857 1.00 0.00 H new ATOM 0 HG23 THR A 26 0.968 12.920 -4.343 1.00 0.00 H new ATOM 376 N SER A 27 -1.913 9.095 -5.699 1.00 0.00 N ATOM 377 CA SER A 27 -2.703 7.907 -5.898 1.00 0.00 C ATOM 378 C SER A 27 -1.792 6.770 -6.300 1.00 0.00 C ATOM 379 O SER A 27 -0.732 6.988 -6.895 1.00 0.00 O ATOM 380 CB SER A 27 -3.745 8.124 -6.987 1.00 0.00 C ATOM 381 OG SER A 27 -3.790 9.423 -7.564 1.00 0.00 O ATOM 0 H SER A 27 -1.231 9.247 -6.442 1.00 0.00 H new ATOM 0 HA SER A 27 -3.218 7.670 -4.967 1.00 0.00 H new ATOM 0 HB2 SER A 27 -3.564 7.402 -7.783 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.727 7.900 -6.571 1.00 0.00 H new ATOM 0 HG SER A 27 -4.489 9.452 -8.250 1.00 0.00 H new ATOM 387 N TRP A 28 -2.242 5.557 -6.013 1.00 0.00 N ATOM 388 CA TRP A 28 -1.423 4.369 -6.014 1.00 0.00 C ATOM 389 C TRP A 28 -2.338 3.185 -6.315 1.00 0.00 C ATOM 390 O TRP A 28 -3.555 3.301 -6.189 1.00 0.00 O ATOM 391 CB TRP A 28 -0.751 4.235 -4.634 1.00 0.00 C ATOM 392 CG TRP A 28 -0.084 5.469 -4.092 1.00 0.00 C ATOM 393 CD1 TRP A 28 -0.653 6.426 -3.316 1.00 0.00 C ATOM 394 CD2 TRP A 28 1.282 5.914 -4.333 1.00 0.00 C ATOM 395 NE1 TRP A 28 0.241 7.468 -3.143 1.00 0.00 N ATOM 396 CE2 TRP A 28 1.461 7.190 -3.727 1.00 0.00 C ATOM 397 CE3 TRP A 28 2.385 5.362 -5.015 1.00 0.00 C ATOM 398 CZ2 TRP A 28 2.677 7.888 -3.818 1.00 0.00 C ATOM 399 CZ3 TRP A 28 3.616 6.041 -5.095 1.00 0.00 C ATOM 400 CH2 TRP A 28 3.758 7.310 -4.507 1.00 0.00 C ATOM 0 H TRP A 28 -3.215 5.375 -5.767 1.00 0.00 H new ATOM 0 HA TRP A 28 -0.636 4.411 -6.767 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.505 3.911 -3.917 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.006 3.442 -4.693 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -1.648 6.381 -2.899 1.00 0.00 H new ATOM 0 HE1 TRP A 28 0.026 8.333 -2.647 1.00 0.00 H new ATOM 0 HE3 TRP A 28 2.284 4.396 -5.487 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.781 8.862 -3.362 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 4.451 5.587 -5.608 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.696 7.840 -4.584 1.00 0.00 H new ATOM 411 N VAL A 29 -1.795 2.047 -6.721 1.00 0.00 N ATOM 412 CA VAL A 29 -2.559 0.841 -7.033 1.00 0.00 C ATOM 413 C VAL A 29 -1.689 -0.321 -6.585 1.00 0.00 C ATOM 414 O VAL A 29 -0.482 -0.305 -6.819 1.00 0.00 O ATOM 415 CB VAL A 29 -2.888 0.780 -8.537 1.00 0.00 C ATOM 416 CG1 VAL A 29 -3.714 -0.454 -8.929 1.00 0.00 C ATOM 417 CG2 VAL A 29 -3.622 2.041 -9.003 1.00 0.00 C ATOM 0 H VAL A 29 -0.789 1.930 -6.846 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.522 0.818 -6.522 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.922 0.709 -9.038 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.910 -0.435 -10.001 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.159 -1.358 -8.678 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.659 -0.446 -8.387 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.838 1.963 -10.069 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.556 2.144 -8.450 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.995 2.914 -8.823 1.00 0.00 H new ATOM 427 N LEU A 30 -2.270 -1.274 -5.865 1.00 0.00 N ATOM 428 CA LEU A 30 -1.512 -2.360 -5.265 1.00 0.00 C ATOM 429 C LEU A 30 -1.235 -3.438 -6.298 1.00 0.00 C ATOM 430 O LEU A 30 -2.065 -3.666 -7.181 1.00 0.00 O ATOM 431 CB LEU A 30 -2.328 -2.967 -4.126 1.00 0.00 C ATOM 432 CG LEU A 30 -1.501 -3.743 -3.106 1.00 0.00 C ATOM 433 CD1 LEU A 30 -0.700 -2.754 -2.250 1.00 0.00 C ATOM 434 CD2 LEU A 30 -2.483 -4.573 -2.277 1.00 0.00 C ATOM 0 H LEU A 30 -3.273 -1.314 -5.683 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.566 -1.970 -4.889 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.862 -2.168 -3.611 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.081 -3.633 -4.548 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.779 -4.410 -3.577 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.107 -3.303 -1.519 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.038 -2.171 -2.891 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.385 -2.084 -1.731 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.934 -5.148 -1.531 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.189 -3.909 -1.777 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.027 -5.254 -2.932 1.00 0.00 H new ATOM 446 N SER A 31 -0.125 -4.158 -6.136 1.00 0.00 N ATOM 447 CA SER A 31 0.265 -5.189 -7.081 1.00 0.00 C ATOM 448 C SER A 31 0.822 -6.450 -6.396 1.00 0.00 C ATOM 449 O SER A 31 0.732 -7.542 -6.960 1.00 0.00 O ATOM 450 CB SER A 31 1.267 -4.527 -8.043 1.00 0.00 C ATOM 451 OG SER A 31 1.487 -5.253 -9.230 1.00 0.00 O ATOM 0 H SER A 31 0.519 -4.041 -5.353 1.00 0.00 H new ATOM 0 HA SER A 31 -0.601 -5.562 -7.628 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.905 -3.532 -8.300 1.00 0.00 H new ATOM 0 HB3 SER A 31 2.218 -4.397 -7.527 1.00 0.00 H new ATOM 0 HG SER A 31 2.131 -4.774 -9.792 1.00 0.00 H new ATOM 457 N ALA A 32 1.342 -6.368 -5.162 1.00 0.00 N ATOM 458 CA ALA A 32 1.741 -7.549 -4.394 1.00 0.00 C ATOM 459 C ALA A 32 1.596 -7.280 -2.900 1.00 0.00 C ATOM 460 O ALA A 32 1.572 -6.124 -2.476 1.00 0.00 O ATOM 461 CB ALA A 32 3.188 -7.951 -4.722 1.00 0.00 C ATOM 0 H ALA A 32 1.496 -5.486 -4.674 1.00 0.00 H new ATOM 0 HA ALA A 32 1.085 -8.374 -4.671 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.462 -8.831 -4.140 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.270 -8.179 -5.785 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.859 -7.128 -4.475 1.00 0.00 H new ATOM 467 N TRP A 33 1.545 -8.358 -2.111 1.00 0.00 N ATOM 468 CA TRP A 33 1.622 -8.353 -0.658 1.00 0.00 C ATOM 469 C TRP A 33 2.475 -9.546 -0.245 1.00 0.00 C ATOM 470 O TRP A 33 2.350 -10.626 -0.821 1.00 0.00 O ATOM 471 CB TRP A 33 0.187 -8.319 -0.070 1.00 0.00 C ATOM 472 CG TRP A 33 -0.240 -8.680 1.318 1.00 0.00 C ATOM 473 CD1 TRP A 33 0.505 -9.068 2.377 1.00 0.00 C ATOM 474 CD2 TRP A 33 -1.570 -8.413 1.853 1.00 0.00 C ATOM 475 NE1 TRP A 33 -0.236 -8.940 3.531 1.00 0.00 N ATOM 476 CE2 TRP A 33 -1.508 -8.483 3.273 1.00 0.00 C ATOM 477 CE3 TRP A 33 -2.800 -8.037 1.276 1.00 0.00 C ATOM 478 CZ2 TRP A 33 -2.575 -8.069 4.083 1.00 0.00 C ATOM 479 CZ3 TRP A 33 -3.917 -7.763 2.087 1.00 0.00 C ATOM 480 CH2 TRP A 33 -3.794 -7.723 3.479 1.00 0.00 C ATOM 0 H TRP A 33 1.444 -9.299 -2.492 1.00 0.00 H new ATOM 0 HA TRP A 33 2.108 -7.465 -0.253 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -0.159 -7.296 -0.219 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -0.406 -8.955 -0.727 1.00 0.00 H new ATOM 0 HD1 TRP A 33 1.524 -9.423 2.326 1.00 0.00 H new ATOM 0 HE1 TRP A 33 0.115 -9.158 4.464 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -2.886 -7.959 0.202 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -2.461 -8.017 5.156 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -4.878 -7.582 1.630 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -4.635 -7.427 4.088 1.00 0.00 H new ATOM 491 N LYS A 34 3.347 -9.376 0.746 1.00 0.00 N ATOM 492 CA LYS A 34 4.198 -10.402 1.308 1.00 0.00 C ATOM 493 C LYS A 34 3.962 -10.499 2.804 1.00 0.00 C ATOM 494 O LYS A 34 3.897 -9.470 3.466 1.00 0.00 O ATOM 495 CB LYS A 34 5.655 -10.009 1.049 1.00 0.00 C ATOM 496 CG LYS A 34 6.506 -11.269 0.979 1.00 0.00 C ATOM 497 CD LYS A 34 6.588 -11.778 -0.465 1.00 0.00 C ATOM 498 CE LYS A 34 7.950 -11.436 -1.072 1.00 0.00 C ATOM 499 NZ LYS A 34 8.603 -12.627 -1.642 1.00 0.00 N ATOM 0 H LYS A 34 3.480 -8.470 1.196 1.00 0.00 H new ATOM 0 HA LYS A 34 3.976 -11.366 0.850 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.734 -9.450 0.117 1.00 0.00 H new ATOM 0 HB3 LYS A 34 6.015 -9.356 1.844 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.507 -11.061 1.355 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.079 -12.040 1.620 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.433 -12.857 -0.487 1.00 0.00 H new ATOM 0 HD3 LYS A 34 5.793 -11.330 -1.062 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.824 -10.682 -1.849 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.591 -11.000 -0.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.524 -12.359 -2.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 8.745 -13.336 -0.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 8.002 -13.028 -2.390 1.00 0.00 H new ATOM 513 N GLN A 35 3.856 -11.709 3.337 1.00 0.00 N ATOM 514 CA GLN A 35 3.967 -11.986 4.755 1.00 0.00 C ATOM 515 C GLN A 35 5.411 -11.761 5.199 1.00 0.00 C ATOM 516 O GLN A 35 6.328 -11.879 4.387 1.00 0.00 O ATOM 517 CB GLN A 35 3.612 -13.458 4.991 1.00 0.00 C ATOM 518 CG GLN A 35 2.123 -13.775 4.766 1.00 0.00 C ATOM 519 CD GLN A 35 1.554 -14.289 6.074 1.00 0.00 C ATOM 520 OE1 GLN A 35 0.985 -13.504 6.826 1.00 0.00 O ATOM 521 NE2 GLN A 35 1.761 -15.559 6.395 1.00 0.00 N ATOM 0 H GLN A 35 3.686 -12.544 2.777 1.00 0.00 H new ATOM 0 HA GLN A 35 3.298 -11.333 5.315 1.00 0.00 H new ATOM 0 HB2 GLN A 35 4.212 -14.079 4.326 1.00 0.00 H new ATOM 0 HB3 GLN A 35 3.883 -13.730 6.011 1.00 0.00 H new ATOM 0 HG2 GLN A 35 1.588 -12.883 4.441 1.00 0.00 H new ATOM 0 HG3 GLN A 35 2.006 -14.521 3.980 1.00 0.00 H new ATOM 0 HE21 GLN A 35 2.238 -16.179 5.741 1.00 0.00 H new ATOM 0 HE22 GLN A 35 1.443 -15.916 7.296 1.00 0.00 H new ATOM 530 N ALA A 36 5.619 -11.585 6.506 1.00 0.00 N ATOM 531 CA ALA A 36 6.943 -11.524 7.111 1.00 0.00 C ATOM 532 C ALA A 36 7.743 -12.809 6.871 1.00 0.00 C ATOM 533 O ALA A 36 8.948 -12.750 6.651 1.00 0.00 O ATOM 534 CB ALA A 36 6.782 -11.269 8.610 1.00 0.00 C ATOM 0 H ALA A 36 4.860 -11.480 7.179 1.00 0.00 H new ATOM 0 HA ALA A 36 7.503 -10.712 6.646 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.765 -11.221 9.078 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.259 -10.325 8.764 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.207 -12.080 9.057 1.00 0.00 H new ATOM 540 N ASP A 37 7.082 -13.973 6.850 1.00 0.00 N ATOM 541 CA ASP A 37 7.747 -15.263 6.604 1.00 0.00 C ATOM 542 C ASP A 37 8.069 -15.460 5.123 1.00 0.00 C ATOM 543 O ASP A 37 8.670 -16.463 4.744 1.00 0.00 O ATOM 544 CB ASP A 37 6.895 -16.436 7.116 1.00 0.00 C ATOM 545 CG ASP A 37 7.559 -17.100 8.319 1.00 0.00 C ATOM 546 OD1 ASP A 37 7.339 -16.593 9.445 1.00 0.00 O ATOM 547 OD2 ASP A 37 8.255 -18.130 8.171 1.00 0.00 O ATOM 0 H ASP A 37 6.076 -14.050 7.002 1.00 0.00 H new ATOM 0 HA ASP A 37 8.686 -15.245 7.158 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.903 -16.078 7.393 1.00 0.00 H new ATOM 0 HB3 ASP A 37 6.759 -17.168 6.320 1.00 0.00 H new ATOM 552 N GLY A 38 7.649 -14.525 4.270 1.00 0.00 N ATOM 553 CA GLY A 38 7.982 -14.483 2.866 1.00 0.00 C ATOM 554 C GLY A 38 6.894 -15.099 1.999 1.00 0.00 C ATOM 555 O GLY A 38 7.007 -15.017 0.777 1.00 0.00 O ATOM 0 H GLY A 38 7.047 -13.754 4.559 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.143 -13.448 2.563 1.00 0.00 H new ATOM 0 HA3 GLY A 38 8.920 -15.013 2.701 1.00 0.00 H new ATOM 559 N THR A 39 5.822 -15.649 2.591 1.00 0.00 N ATOM 560 CA THR A 39 4.649 -16.073 1.856 1.00 0.00 C ATOM 561 C THR A 39 4.068 -14.847 1.161 1.00 0.00 C ATOM 562 O THR A 39 3.458 -13.992 1.803 1.00 0.00 O ATOM 563 CB THR A 39 3.656 -16.730 2.826 1.00 0.00 C ATOM 564 OG1 THR A 39 4.220 -17.912 3.347 1.00 0.00 O ATOM 565 CG2 THR A 39 2.319 -17.065 2.172 1.00 0.00 C ATOM 0 H THR A 39 5.757 -15.807 3.597 1.00 0.00 H new ATOM 0 HA THR A 39 4.891 -16.817 1.097 1.00 0.00 H new ATOM 0 HB THR A 39 3.461 -16.007 3.618 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.587 -18.331 3.967 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.660 -17.527 2.907 1.00 0.00 H new ATOM 0 HG22 THR A 39 1.859 -16.151 1.795 1.00 0.00 H new ATOM 0 HG23 THR A 39 2.481 -17.757 1.345 1.00 0.00 H new ATOM 573 N ALA A 40 4.281 -14.731 -0.144 1.00 0.00 N ATOM 574 CA ALA A 40 3.529 -13.792 -0.944 1.00 0.00 C ATOM 575 C ALA A 40 2.053 -14.144 -0.828 1.00 0.00 C ATOM 576 O ALA A 40 1.680 -15.315 -0.923 1.00 0.00 O ATOM 577 CB ALA A 40 4.020 -13.857 -2.375 1.00 0.00 C ATOM 0 H ALA A 40 4.968 -15.277 -0.663 1.00 0.00 H new ATOM 0 HA ALA A 40 3.668 -12.769 -0.595 1.00 0.00 H new ATOM 0 HB1 ALA A 40 3.457 -13.151 -2.985 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.079 -13.601 -2.408 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.878 -14.866 -2.763 1.00 0.00 H new ATOM 583 N ARG A 41 1.220 -13.141 -0.587 1.00 0.00 N ATOM 584 CA ARG A 41 -0.216 -13.278 -0.664 1.00 0.00 C ATOM 585 C ARG A 41 -0.643 -13.057 -2.098 1.00 0.00 C ATOM 586 O ARG A 41 -0.058 -12.232 -2.812 1.00 0.00 O ATOM 587 CB ARG A 41 -0.906 -12.266 0.255 1.00 0.00 C ATOM 588 CG ARG A 41 -1.065 -12.865 1.650 1.00 0.00 C ATOM 589 CD ARG A 41 -1.549 -11.809 2.659 1.00 0.00 C ATOM 590 NE ARG A 41 -2.698 -12.259 3.481 1.00 0.00 N ATOM 591 CZ ARG A 41 -2.778 -13.389 4.204 1.00 0.00 C ATOM 592 NH1 ARG A 41 -1.729 -14.202 4.287 1.00 0.00 N ATOM 593 NH2 ARG A 41 -3.894 -13.730 4.844 1.00 0.00 N ATOM 0 H ARG A 41 1.531 -12.204 -0.331 1.00 0.00 H new ATOM 0 HA ARG A 41 -0.505 -14.277 -0.338 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -0.320 -11.348 0.307 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -1.882 -11.998 -0.150 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.776 -13.691 1.615 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.112 -13.278 1.982 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.723 -11.543 3.318 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.831 -10.905 2.119 1.00 0.00 H new ATOM 0 HE ARG A 41 -3.513 -11.647 3.500 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.863 -13.968 3.802 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.791 -15.059 4.836 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.716 -13.128 4.793 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -3.928 -14.594 5.386 1.00 0.00 H new ATOM 607 N ALA A 42 -1.701 -13.751 -2.492 1.00 0.00 N ATOM 608 CA ALA A 42 -2.449 -13.370 -3.674 1.00 0.00 C ATOM 609 C ALA A 42 -3.155 -12.051 -3.387 1.00 0.00 C ATOM 610 O ALA A 42 -3.624 -11.826 -2.266 1.00 0.00 O ATOM 611 CB ALA A 42 -3.469 -14.442 -4.036 1.00 0.00 C ATOM 0 H ALA A 42 -2.057 -14.577 -2.011 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.769 -13.259 -4.518 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.019 -14.135 -4.926 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -2.954 -15.382 -4.234 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.165 -14.577 -3.208 1.00 0.00 H new ATOM 617 N VAL A 43 -3.244 -11.213 -4.412 1.00 0.00 N ATOM 618 CA VAL A 43 -4.020 -9.986 -4.450 1.00 0.00 C ATOM 619 C VAL A 43 -4.621 -9.885 -5.860 1.00 0.00 C ATOM 620 O VAL A 43 -4.023 -10.415 -6.803 1.00 0.00 O ATOM 621 CB VAL A 43 -3.144 -8.760 -4.094 1.00 0.00 C ATOM 622 CG1 VAL A 43 -2.598 -8.839 -2.660 1.00 0.00 C ATOM 623 CG2 VAL A 43 -1.943 -8.545 -5.027 1.00 0.00 C ATOM 0 H VAL A 43 -2.748 -11.383 -5.287 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.817 -10.000 -3.706 1.00 0.00 H new ATOM 0 HB VAL A 43 -3.828 -7.919 -4.209 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.989 -7.959 -2.453 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.429 -8.879 -1.956 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.988 -9.736 -2.552 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.385 -7.666 -4.705 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.294 -9.420 -4.992 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.297 -8.397 -6.047 1.00 0.00 H new ATOM 633 N PRO A 44 -5.772 -9.222 -6.042 1.00 0.00 N ATOM 634 CA PRO A 44 -6.368 -9.101 -7.356 1.00 0.00 C ATOM 635 C PRO A 44 -5.589 -8.053 -8.160 1.00 0.00 C ATOM 636 O PRO A 44 -5.517 -6.880 -7.771 1.00 0.00 O ATOM 637 CB PRO A 44 -7.834 -8.743 -7.110 1.00 0.00 C ATOM 638 CG PRO A 44 -7.762 -7.939 -5.815 1.00 0.00 C ATOM 639 CD PRO A 44 -6.621 -8.600 -5.037 1.00 0.00 C ATOM 0 HA PRO A 44 -6.325 -10.013 -7.951 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -8.252 -8.158 -7.929 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -8.457 -9.631 -7.003 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -7.557 -6.886 -6.009 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -8.701 -7.984 -5.263 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -6.065 -7.864 -4.455 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -7.003 -9.340 -4.334 1.00 0.00 H new ATOM 647 N SER A 45 -4.970 -8.473 -9.263 1.00 0.00 N ATOM 648 CA SER A 45 -4.422 -7.565 -10.253 1.00 0.00 C ATOM 649 C SER A 45 -5.580 -6.995 -11.089 1.00 0.00 C ATOM 650 O SER A 45 -6.723 -7.447 -10.972 1.00 0.00 O ATOM 651 CB SER A 45 -3.440 -8.375 -11.101 1.00 0.00 C ATOM 652 OG SER A 45 -2.153 -8.220 -10.543 1.00 0.00 O ATOM 0 H SER A 45 -4.837 -9.459 -9.490 1.00 0.00 H new ATOM 0 HA SER A 45 -3.896 -6.721 -9.806 1.00 0.00 H new ATOM 0 HB2 SER A 45 -3.726 -9.427 -11.115 1.00 0.00 H new ATOM 0 HB3 SER A 45 -3.452 -8.028 -12.134 1.00 0.00 H new ATOM 0 HG SER A 45 -1.504 -8.733 -11.069 1.00 0.00 H new ATOM 658 N ALA A 46 -5.300 -6.046 -11.986 1.00 0.00 N ATOM 659 CA ALA A 46 -6.317 -5.454 -12.850 1.00 0.00 C ATOM 660 C ALA A 46 -7.065 -6.526 -13.637 1.00 0.00 C ATOM 661 O ALA A 46 -8.290 -6.486 -13.752 1.00 0.00 O ATOM 662 CB ALA A 46 -5.668 -4.429 -13.784 1.00 0.00 C ATOM 0 H ALA A 46 -4.363 -5.669 -12.131 1.00 0.00 H new ATOM 0 HA ALA A 46 -7.052 -4.943 -12.228 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.430 -3.989 -14.427 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.196 -3.645 -13.192 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -4.915 -4.922 -14.399 1.00 0.00 H new ATOM 668 N ASP A 47 -6.340 -7.511 -14.158 1.00 0.00 N ATOM 669 CA ASP A 47 -6.909 -8.558 -15.000 1.00 0.00 C ATOM 670 C ASP A 47 -7.662 -9.642 -14.208 1.00 0.00 C ATOM 671 O ASP A 47 -8.331 -10.499 -14.789 1.00 0.00 O ATOM 672 CB ASP A 47 -5.775 -9.170 -15.815 1.00 0.00 C ATOM 673 CG ASP A 47 -6.310 -10.000 -16.972 1.00 0.00 C ATOM 674 OD1 ASP A 47 -7.117 -9.464 -17.772 1.00 0.00 O ATOM 675 OD2 ASP A 47 -5.900 -11.173 -17.092 1.00 0.00 O ATOM 0 H ASP A 47 -5.336 -7.606 -14.007 1.00 0.00 H new ATOM 0 HA ASP A 47 -7.659 -8.106 -15.649 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.132 -8.378 -16.200 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.158 -9.796 -15.170 1.00 0.00 H new ATOM 680 N GLN A 48 -7.592 -9.601 -12.872 1.00 0.00 N ATOM 681 CA GLN A 48 -8.442 -10.411 -11.999 1.00 0.00 C ATOM 682 C GLN A 48 -9.842 -9.815 -11.852 1.00 0.00 C ATOM 683 O GLN A 48 -10.713 -10.433 -11.235 1.00 0.00 O ATOM 684 CB GLN A 48 -7.843 -10.508 -10.600 1.00 0.00 C ATOM 685 CG GLN A 48 -6.543 -11.321 -10.586 1.00 0.00 C ATOM 686 CD GLN A 48 -6.762 -12.806 -10.842 1.00 0.00 C ATOM 687 OE1 GLN A 48 -7.554 -13.456 -10.160 1.00 0.00 O ATOM 688 NE2 GLN A 48 -6.032 -13.372 -11.783 1.00 0.00 N ATOM 0 H GLN A 48 -6.940 -9.001 -12.366 1.00 0.00 H new ATOM 0 HA GLN A 48 -8.507 -11.394 -12.465 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -7.648 -9.506 -10.219 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -8.566 -10.969 -9.927 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -5.866 -10.924 -11.342 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.053 -11.194 -9.621 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -5.383 -12.809 -12.333 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -6.116 -14.373 -11.961 1.00 0.00 H new ATOM 697 N GLY A 49 -10.043 -8.601 -12.352 1.00 0.00 N ATOM 698 CA GLY A 49 -11.334 -7.968 -12.446 1.00 0.00 C ATOM 699 C GLY A 49 -11.488 -6.781 -11.509 1.00 0.00 C ATOM 700 O GLY A 49 -12.310 -5.907 -11.790 1.00 0.00 O ATOM 0 H GLY A 49 -9.284 -8.021 -12.711 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -11.495 -7.636 -13.472 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -12.108 -8.702 -12.223 1.00 0.00 H new ATOM 704 N ALA A 50 -10.715 -6.730 -10.423 1.00 0.00 N ATOM 705 CA ALA A 50 -10.897 -5.795 -9.320 1.00 0.00 C ATOM 706 C ALA A 50 -9.538 -5.301 -8.807 1.00 0.00 C ATOM 707 O ALA A 50 -9.073 -5.762 -7.767 1.00 0.00 O ATOM 708 CB ALA A 50 -11.700 -6.489 -8.222 1.00 0.00 C ATOM 0 H ALA A 50 -9.923 -7.358 -10.286 1.00 0.00 H new ATOM 0 HA ALA A 50 -11.447 -4.916 -9.657 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -11.845 -5.802 -7.388 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -12.670 -6.791 -8.616 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -11.159 -7.370 -7.877 1.00 0.00 H new ATOM 714 N PRO A 51 -8.879 -4.377 -9.520 1.00 0.00 N ATOM 715 CA PRO A 51 -7.631 -3.792 -9.067 1.00 0.00 C ATOM 716 C PRO A 51 -7.854 -3.001 -7.777 1.00 0.00 C ATOM 717 O PRO A 51 -8.725 -2.126 -7.716 1.00 0.00 O ATOM 718 CB PRO A 51 -7.141 -2.895 -10.205 1.00 0.00 C ATOM 719 CG PRO A 51 -8.406 -2.586 -11.011 1.00 0.00 C ATOM 720 CD PRO A 51 -9.331 -3.779 -10.760 1.00 0.00 C ATOM 0 HA PRO A 51 -6.886 -4.553 -8.836 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -6.679 -1.984 -9.824 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -6.393 -3.400 -10.816 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -8.866 -1.653 -10.684 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -8.182 -2.476 -12.072 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.370 -3.458 -10.683 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -9.278 -4.494 -11.581 1.00 0.00 H new ATOM 728 N ILE A 52 -7.037 -3.302 -6.770 1.00 0.00 N ATOM 729 CA ILE A 52 -6.851 -2.525 -5.550 1.00 0.00 C ATOM 730 C ILE A 52 -6.340 -1.115 -5.902 1.00 0.00 C ATOM 731 O ILE A 52 -5.133 -0.928 -6.066 1.00 0.00 O ATOM 732 CB ILE A 52 -5.886 -3.251 -4.608 1.00 0.00 C ATOM 733 CG1 ILE A 52 -6.388 -4.653 -4.259 1.00 0.00 C ATOM 734 CG2 ILE A 52 -5.700 -2.469 -3.290 1.00 0.00 C ATOM 735 CD1 ILE A 52 -7.572 -4.724 -3.308 1.00 0.00 C ATOM 0 H ILE A 52 -6.456 -4.140 -6.786 1.00 0.00 H new ATOM 0 HA ILE A 52 -7.806 -2.420 -5.035 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.936 -3.324 -5.137 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -6.661 -5.160 -5.185 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.562 -5.213 -3.821 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.010 -3.008 -2.641 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.296 -1.480 -3.507 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.663 -2.365 -2.789 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.838 -5.767 -3.135 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -7.306 -4.255 -2.360 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -8.422 -4.201 -3.746 1.00 0.00 H new ATOM 747 N THR A 53 -7.212 -0.117 -5.995 1.00 0.00 N ATOM 748 CA THR A 53 -6.860 1.258 -6.367 1.00 0.00 C ATOM 749 C THR A 53 -6.976 2.154 -5.124 1.00 0.00 C ATOM 750 O THR A 53 -8.036 2.243 -4.506 1.00 0.00 O ATOM 751 CB THR A 53 -7.782 1.762 -7.499 1.00 0.00 C ATOM 752 OG1 THR A 53 -9.142 1.619 -7.145 1.00 0.00 O ATOM 753 CG2 THR A 53 -7.545 1.021 -8.816 1.00 0.00 C ATOM 0 H THR A 53 -8.208 -0.239 -5.810 1.00 0.00 H new ATOM 0 HA THR A 53 -5.835 1.289 -6.737 1.00 0.00 H new ATOM 0 HB THR A 53 -7.539 2.815 -7.640 1.00 0.00 H new ATOM 0 HG1 THR A 53 -9.707 1.946 -7.876 1.00 0.00 H new ATOM 0 HG21 THR A 53 -8.217 1.412 -9.580 1.00 0.00 H new ATOM 0 HG22 THR A 53 -6.512 1.165 -9.134 1.00 0.00 H new ATOM 0 HG23 THR A 53 -7.736 -0.043 -8.674 1.00 0.00 H new ATOM 761 N LEU A 54 -5.901 2.835 -4.734 1.00 0.00 N ATOM 762 CA LEU A 54 -5.818 3.699 -3.556 1.00 0.00 C ATOM 763 C LEU A 54 -5.737 5.148 -4.041 1.00 0.00 C ATOM 764 O LEU A 54 -5.053 5.438 -5.029 1.00 0.00 O ATOM 765 CB LEU A 54 -4.579 3.257 -2.754 1.00 0.00 C ATOM 766 CG LEU A 54 -4.139 4.082 -1.529 1.00 0.00 C ATOM 767 CD1 LEU A 54 -3.364 5.304 -1.791 1.00 0.00 C ATOM 768 CD2 LEU A 54 -5.209 4.356 -0.468 1.00 0.00 C ATOM 0 H LEU A 54 -5.024 2.799 -5.253 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.687 3.623 -2.903 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.755 2.236 -2.415 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.737 3.222 -3.445 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.443 3.360 -1.102 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.119 5.789 -0.846 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.444 5.046 -2.316 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.954 5.984 -2.405 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.777 4.944 0.341 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.034 4.909 -0.917 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.579 3.410 -0.072 1.00 0.00 H new ATOM 780 N THR A 55 -6.410 6.076 -3.364 1.00 0.00 N ATOM 781 CA THR A 55 -6.354 7.497 -3.689 1.00 0.00 C ATOM 782 C THR A 55 -6.300 8.283 -2.382 1.00 0.00 C ATOM 783 O THR A 55 -7.186 8.122 -1.543 1.00 0.00 O ATOM 784 CB THR A 55 -7.584 7.914 -4.520 1.00 0.00 C ATOM 785 OG1 THR A 55 -8.046 6.887 -5.389 1.00 0.00 O ATOM 786 CG2 THR A 55 -7.295 9.142 -5.361 1.00 0.00 C ATOM 0 H THR A 55 -7.013 5.860 -2.570 1.00 0.00 H new ATOM 0 HA THR A 55 -5.467 7.706 -4.287 1.00 0.00 H new ATOM 0 HB THR A 55 -8.361 8.128 -3.786 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.730 6.354 -4.932 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.183 9.408 -5.934 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.021 9.972 -4.710 1.00 0.00 H new ATOM 0 HG23 THR A 55 -6.473 8.930 -6.044 1.00 0.00 H new ATOM 794 N LEU A 56 -5.270 9.107 -2.194 1.00 0.00 N ATOM 795 CA LEU A 56 -5.289 10.245 -1.296 1.00 0.00 C ATOM 796 C LEU A 56 -5.714 11.436 -2.157 1.00 0.00 C ATOM 797 O LEU A 56 -5.265 11.523 -3.301 1.00 0.00 O ATOM 798 CB LEU A 56 -3.877 10.464 -0.730 1.00 0.00 C ATOM 799 CG LEU A 56 -3.243 9.298 0.042 1.00 0.00 C ATOM 800 CD1 LEU A 56 -4.214 8.460 0.886 1.00 0.00 C ATOM 801 CD2 LEU A 56 -2.427 8.406 -0.894 1.00 0.00 C ATOM 0 H LEU A 56 -4.379 8.993 -2.678 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.966 10.104 -0.453 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.217 10.720 -1.559 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.908 11.330 -0.069 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.585 9.774 0.769 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.665 7.664 1.389 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.693 9.097 1.630 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.975 8.023 0.239 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.988 7.587 -0.325 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.077 8.001 -1.669 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.634 8.993 -1.356 1.00 0.00 H new ATOM 813 N SER A 57 -6.611 12.285 -1.654 1.00 0.00 N ATOM 814 CA SER A 57 -7.161 13.501 -2.258 1.00 0.00 C ATOM 815 C SER A 57 -8.252 14.001 -1.291 1.00 0.00 C ATOM 816 O SER A 57 -8.206 13.680 -0.100 1.00 0.00 O ATOM 817 CB SER A 57 -7.687 13.219 -3.679 1.00 0.00 C ATOM 818 OG SER A 57 -8.150 14.368 -4.357 1.00 0.00 O ATOM 0 H SER A 57 -7.008 12.125 -0.728 1.00 0.00 H new ATOM 0 HA SER A 57 -6.404 14.274 -2.390 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.892 12.759 -4.265 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.498 12.494 -3.618 1.00 0.00 H new ATOM 0 HG SER A 57 -8.466 14.116 -5.250 1.00 0.00 H new ATOM 824 N THR A 58 -9.242 14.752 -1.780 1.00 0.00 N ATOM 825 CA THR A 58 -10.249 15.427 -0.978 1.00 0.00 C ATOM 826 C THR A 58 -11.685 15.020 -1.391 1.00 0.00 C ATOM 827 O THR A 58 -12.564 15.875 -1.469 1.00 0.00 O ATOM 828 CB THR A 58 -9.998 16.944 -1.034 1.00 0.00 C ATOM 829 OG1 THR A 58 -10.074 17.439 -2.354 1.00 0.00 O ATOM 830 CG2 THR A 58 -8.628 17.320 -0.464 1.00 0.00 C ATOM 0 H THR A 58 -9.363 14.908 -2.781 1.00 0.00 H new ATOM 0 HA THR A 58 -10.162 15.112 0.062 1.00 0.00 H new ATOM 0 HB THR A 58 -10.782 17.395 -0.425 1.00 0.00 H new ATOM 0 HG1 THR A 58 -9.911 18.405 -2.351 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.493 18.400 -0.523 1.00 0.00 H new ATOM 0 HG22 THR A 58 -8.568 17.004 0.577 1.00 0.00 H new ATOM 0 HG23 THR A 58 -7.846 16.825 -1.039 1.00 0.00 H new ATOM 838 N SER A 59 -11.983 13.738 -1.656 1.00 0.00 N ATOM 839 CA SER A 59 -13.322 13.302 -2.087 1.00 0.00 C ATOM 840 C SER A 59 -14.454 13.569 -1.059 1.00 0.00 C ATOM 841 O SER A 59 -15.627 13.373 -1.388 1.00 0.00 O ATOM 842 CB SER A 59 -13.272 11.827 -2.531 1.00 0.00 C ATOM 843 OG SER A 59 -14.210 11.481 -3.542 1.00 0.00 O ATOM 0 H SER A 59 -11.307 12.978 -1.578 1.00 0.00 H new ATOM 0 HA SER A 59 -13.593 13.926 -2.938 1.00 0.00 H new ATOM 0 HB2 SER A 59 -12.268 11.604 -2.893 1.00 0.00 H new ATOM 0 HB3 SER A 59 -13.445 11.193 -1.661 1.00 0.00 H new ATOM 0 HG SER A 59 -14.113 10.532 -3.768 1.00 0.00 H new ATOM 849 N THR A 60 -14.157 14.028 0.162 1.00 0.00 N ATOM 850 CA THR A 60 -15.115 14.586 1.119 1.00 0.00 C ATOM 851 C THR A 60 -14.738 16.009 1.548 1.00 0.00 C ATOM 852 O THR A 60 -15.450 16.632 2.339 1.00 0.00 O ATOM 853 CB THR A 60 -15.239 13.675 2.348 1.00 0.00 C ATOM 854 OG1 THR A 60 -14.031 13.585 3.077 1.00 0.00 O ATOM 855 CG2 THR A 60 -15.649 12.264 1.953 1.00 0.00 C ATOM 0 H THR A 60 -13.203 14.020 0.524 1.00 0.00 H new ATOM 0 HA THR A 60 -16.080 14.641 0.616 1.00 0.00 H new ATOM 0 HB THR A 60 -16.005 14.132 2.975 1.00 0.00 H new ATOM 0 HG1 THR A 60 -14.159 12.997 3.850 1.00 0.00 H new ATOM 0 HG21 THR A 60 -15.728 11.644 2.846 1.00 0.00 H new ATOM 0 HG22 THR A 60 -16.613 12.294 1.446 1.00 0.00 H new ATOM 0 HG23 THR A 60 -14.900 11.841 1.283 1.00 0.00 H new ATOM 863 N GLY A 61 -13.624 16.540 1.052 1.00 0.00 N ATOM 864 CA GLY A 61 -13.046 17.806 1.456 1.00 0.00 C ATOM 865 C GLY A 61 -12.156 17.695 2.692 1.00 0.00 C ATOM 866 O GLY A 61 -11.508 18.684 3.035 1.00 0.00 O ATOM 0 H GLY A 61 -13.080 16.074 0.326 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -12.461 18.211 0.630 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -13.848 18.516 1.657 1.00 0.00 H new ATOM 870 N GLN A 62 -12.092 16.543 3.369 1.00 0.00 N ATOM 871 CA GLN A 62 -11.099 16.338 4.420 1.00 0.00 C ATOM 872 C GLN A 62 -9.826 15.751 3.801 1.00 0.00 C ATOM 873 O GLN A 62 -9.845 15.282 2.660 1.00 0.00 O ATOM 874 CB GLN A 62 -11.639 15.432 5.533 1.00 0.00 C ATOM 875 CG GLN A 62 -12.871 16.035 6.230 1.00 0.00 C ATOM 876 CD GLN A 62 -14.111 15.201 5.942 1.00 0.00 C ATOM 877 OE1 GLN A 62 -14.213 14.063 6.393 1.00 0.00 O ATOM 878 NE2 GLN A 62 -15.046 15.705 5.164 1.00 0.00 N ATOM 0 H GLN A 62 -12.711 15.748 3.208 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.867 17.299 4.879 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -11.901 14.461 5.113 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -10.855 15.259 6.270 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -12.700 16.083 7.305 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -13.026 17.058 5.886 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -14.948 16.651 4.797 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -15.868 15.149 4.929 1.00 0.00 H new ATOM 887 N ARG A 63 -8.739 15.679 4.572 1.00 0.00 N ATOM 888 CA ARG A 63 -7.620 14.785 4.263 1.00 0.00 C ATOM 889 C ARG A 63 -8.098 13.345 4.491 1.00 0.00 C ATOM 890 O ARG A 63 -7.991 12.805 5.596 1.00 0.00 O ATOM 891 CB ARG A 63 -6.352 15.150 5.074 1.00 0.00 C ATOM 892 CG ARG A 63 -6.622 15.559 6.537 1.00 0.00 C ATOM 893 CD ARG A 63 -5.408 15.494 7.469 1.00 0.00 C ATOM 894 NE ARG A 63 -4.398 16.537 7.225 1.00 0.00 N ATOM 895 CZ ARG A 63 -3.349 16.798 8.014 1.00 0.00 C ATOM 896 NH1 ARG A 63 -3.149 16.140 9.154 1.00 0.00 N ATOM 897 NH2 ARG A 63 -2.479 17.743 7.679 1.00 0.00 N ATOM 0 H ARG A 63 -8.609 16.232 5.419 1.00 0.00 H new ATOM 0 HA ARG A 63 -7.317 14.894 3.222 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.674 14.296 5.068 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -5.838 15.969 4.571 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.013 16.577 6.546 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.403 14.914 6.939 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -5.752 15.573 8.500 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -4.936 14.517 7.364 1.00 0.00 H new ATOM 0 HE ARG A 63 -4.507 17.107 6.386 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.804 15.415 9.446 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.340 16.361 9.735 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -2.609 18.273 6.817 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -1.681 17.939 8.283 1.00 0.00 H new ATOM 911 N HIS A 64 -8.713 12.755 3.470 1.00 0.00 N ATOM 912 CA HIS A 64 -9.400 11.478 3.515 1.00 0.00 C ATOM 913 C HIS A 64 -8.948 10.676 2.305 1.00 0.00 C ATOM 914 O HIS A 64 -8.756 11.217 1.216 1.00 0.00 O ATOM 915 CB HIS A 64 -10.918 11.713 3.486 1.00 0.00 C ATOM 916 CG HIS A 64 -11.743 10.883 4.420 1.00 0.00 C ATOM 917 ND1 HIS A 64 -12.679 9.943 4.060 1.00 0.00 N ATOM 918 CD2 HIS A 64 -11.845 11.084 5.764 1.00 0.00 C ATOM 919 CE1 HIS A 64 -13.314 9.555 5.178 1.00 0.00 C ATOM 920 NE2 HIS A 64 -12.827 10.212 6.248 1.00 0.00 N ATOM 0 H HIS A 64 -8.744 13.181 2.544 1.00 0.00 H new ATOM 0 HA HIS A 64 -9.165 10.932 4.429 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -11.104 12.764 3.709 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -11.271 11.535 2.470 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -11.272 11.788 6.349 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -14.104 8.820 5.214 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -13.117 10.097 7.219 1.00 0.00 H new ATOM 928 N ALA A 65 -8.762 9.382 2.492 1.00 0.00 N ATOM 929 CA ALA A 65 -8.490 8.466 1.405 1.00 0.00 C ATOM 930 C ALA A 65 -9.833 8.004 0.834 1.00 0.00 C ATOM 931 O ALA A 65 -10.818 7.900 1.572 1.00 0.00 O ATOM 932 CB ALA A 65 -7.638 7.307 1.938 1.00 0.00 C ATOM 0 H ALA A 65 -8.796 8.937 3.409 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.925 8.937 0.601 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.426 6.609 1.128 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.701 7.697 2.336 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.181 6.790 2.729 1.00 0.00 H new ATOM 938 N SER A 66 -9.881 7.662 -0.447 1.00 0.00 N ATOM 939 CA SER A 66 -10.959 6.874 -1.031 1.00 0.00 C ATOM 940 C SER A 66 -10.370 5.938 -2.085 1.00 0.00 C ATOM 941 O SER A 66 -9.614 6.374 -2.958 1.00 0.00 O ATOM 942 CB SER A 66 -12.088 7.763 -1.585 1.00 0.00 C ATOM 943 OG SER A 66 -11.718 9.115 -1.807 1.00 0.00 O ATOM 0 H SER A 66 -9.162 7.928 -1.119 1.00 0.00 H new ATOM 0 HA SER A 66 -11.428 6.270 -0.255 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.441 7.337 -2.524 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.927 7.739 -0.889 1.00 0.00 H new ATOM 0 HG SER A 66 -11.984 9.383 -2.711 1.00 0.00 H new ATOM 949 N GLY A 67 -10.725 4.657 -2.060 1.00 0.00 N ATOM 950 CA GLY A 67 -10.183 3.688 -2.998 1.00 0.00 C ATOM 951 C GLY A 67 -11.088 2.479 -3.110 1.00 0.00 C ATOM 952 O GLY A 67 -11.958 2.281 -2.261 1.00 0.00 O ATOM 0 H GLY A 67 -11.391 4.267 -1.394 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -10.065 4.151 -3.978 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -9.191 3.376 -2.672 1.00 0.00 H new ATOM 956 N PHE A 68 -10.874 1.675 -4.146 1.00 0.00 N ATOM 957 CA PHE A 68 -11.521 0.394 -4.348 1.00 0.00 C ATOM 958 C PHE A 68 -10.548 -0.644 -3.787 1.00 0.00 C ATOM 959 O PHE A 68 -9.375 -0.702 -4.165 1.00 0.00 O ATOM 960 CB PHE A 68 -11.846 0.220 -5.837 1.00 0.00 C ATOM 961 CG PHE A 68 -12.817 -0.883 -6.210 1.00 0.00 C ATOM 962 CD1 PHE A 68 -14.206 -0.669 -6.108 1.00 0.00 C ATOM 963 CD2 PHE A 68 -12.346 -2.149 -6.603 1.00 0.00 C ATOM 964 CE1 PHE A 68 -15.104 -1.736 -6.249 1.00 0.00 C ATOM 965 CE2 PHE A 68 -13.252 -3.204 -6.803 1.00 0.00 C ATOM 966 CZ PHE A 68 -14.624 -3.007 -6.599 1.00 0.00 C ATOM 0 H PHE A 68 -10.220 1.911 -4.893 1.00 0.00 H new ATOM 0 HA PHE A 68 -12.479 0.293 -3.837 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -12.248 1.163 -6.208 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -10.911 0.041 -6.368 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -14.582 0.326 -5.920 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -11.288 -2.310 -6.751 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -16.161 -1.580 -6.089 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -12.889 -4.172 -7.116 1.00 0.00 H new ATOM 0 HZ PHE A 68 -15.311 -3.833 -6.711 1.00 0.00 H new ATOM 976 N SER A 69 -11.013 -1.399 -2.801 1.00 0.00 N ATOM 977 CA SER A 69 -10.371 -2.603 -2.314 1.00 0.00 C ATOM 978 C SER A 69 -10.777 -3.767 -3.221 1.00 0.00 C ATOM 979 O SER A 69 -11.175 -3.578 -4.368 1.00 0.00 O ATOM 980 CB SER A 69 -10.827 -2.812 -0.877 1.00 0.00 C ATOM 981 OG SER A 69 -10.061 -3.778 -0.197 1.00 0.00 O ATOM 0 H SER A 69 -11.876 -1.179 -2.305 1.00 0.00 H new ATOM 0 HA SER A 69 -9.284 -2.531 -2.331 1.00 0.00 H new ATOM 0 HB2 SER A 69 -10.768 -1.865 -0.341 1.00 0.00 H new ATOM 0 HB3 SER A 69 -11.874 -3.116 -0.873 1.00 0.00 H new ATOM 0 HG SER A 69 -10.393 -3.873 0.720 1.00 0.00 H new ATOM 987 N GLY A 70 -10.668 -4.994 -2.727 1.00 0.00 N ATOM 988 CA GLY A 70 -10.827 -6.172 -3.559 1.00 0.00 C ATOM 989 C GLY A 70 -12.262 -6.452 -3.996 1.00 0.00 C ATOM 990 O GLY A 70 -12.481 -7.160 -4.983 1.00 0.00 O ATOM 0 H GLY A 70 -10.469 -5.196 -1.747 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -10.206 -6.060 -4.448 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -10.451 -7.038 -3.015 1.00 0.00 H new ATOM 994 N CYS A 71 -13.240 -5.851 -3.306 1.00 0.00 N ATOM 995 CA CYS A 71 -14.601 -5.717 -3.804 1.00 0.00 C ATOM 996 C CYS A 71 -15.240 -4.461 -3.220 1.00 0.00 C ATOM 997 O CYS A 71 -15.982 -3.784 -3.928 1.00 0.00 O ATOM 998 CB CYS A 71 -15.468 -6.916 -3.387 1.00 0.00 C ATOM 999 SG CYS A 71 -17.191 -6.728 -3.912 1.00 0.00 S ATOM 0 H CYS A 71 -13.101 -5.444 -2.381 1.00 0.00 H new ATOM 0 HA CYS A 71 -14.549 -5.664 -4.891 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -15.056 -7.828 -3.819 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -15.430 -7.030 -2.304 1.00 0.00 H new ATOM 1004 N ASN A 72 -15.024 -4.172 -1.924 1.00 0.00 N ATOM 1005 CA ASN A 72 -15.745 -3.115 -1.227 1.00 0.00 C ATOM 1006 C ASN A 72 -14.830 -1.910 -1.081 1.00 0.00 C ATOM 1007 O ASN A 72 -13.877 -1.901 -0.301 1.00 0.00 O ATOM 1008 CB ASN A 72 -16.321 -3.555 0.122 1.00 0.00 C ATOM 1009 CG ASN A 72 -16.834 -4.997 0.156 1.00 0.00 C ATOM 1010 OD1 ASN A 72 -16.522 -5.789 1.041 1.00 0.00 O ATOM 1011 ND2 ASN A 72 -17.604 -5.413 -0.839 1.00 0.00 N ATOM 0 H ASN A 72 -14.348 -4.666 -1.342 1.00 0.00 H new ATOM 0 HA ASN A 72 -16.614 -2.850 -1.828 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -15.552 -3.439 0.886 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -17.139 -2.886 0.389 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -17.929 -6.379 -0.862 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -17.872 -4.767 -1.581 1.00 0.00 H new ATOM 1018 N ARG A 73 -15.114 -0.900 -1.889 1.00 0.00 N ATOM 1019 CA ARG A 73 -14.457 0.394 -1.840 1.00 0.00 C ATOM 1020 C ARG A 73 -14.681 1.020 -0.472 1.00 0.00 C ATOM 1021 O ARG A 73 -15.709 0.805 0.174 1.00 0.00 O ATOM 1022 CB ARG A 73 -14.902 1.305 -2.991 1.00 0.00 C ATOM 1023 CG ARG A 73 -16.411 1.501 -3.168 1.00 0.00 C ATOM 1024 CD ARG A 73 -16.770 2.969 -2.970 1.00 0.00 C ATOM 1025 NE ARG A 73 -18.182 3.241 -3.266 1.00 0.00 N ATOM 1026 CZ ARG A 73 -18.810 4.385 -2.977 1.00 0.00 C ATOM 1027 NH1 ARG A 73 -18.162 5.396 -2.397 1.00 0.00 N ATOM 1028 NH2 ARG A 73 -20.095 4.519 -3.276 1.00 0.00 N ATOM 0 H ARG A 73 -15.827 -0.961 -2.616 1.00 0.00 H new ATOM 0 HA ARG A 73 -13.385 0.256 -1.979 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -14.446 2.284 -2.846 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -14.500 0.901 -3.920 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -16.715 1.174 -4.162 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -16.953 0.885 -2.451 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -16.554 3.258 -1.941 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -16.141 3.585 -3.613 1.00 0.00 H new ATOM 0 HE ARG A 73 -18.721 2.506 -3.724 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -17.173 5.303 -2.167 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -18.656 6.262 -2.183 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -20.597 3.752 -3.723 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -20.581 5.389 -3.059 1.00 0.00 H new ATOM 1042 N TYR A 74 -13.705 1.802 -0.045 1.00 0.00 N ATOM 1043 CA TYR A 74 -13.535 2.229 1.327 1.00 0.00 C ATOM 1044 C TYR A 74 -13.114 3.692 1.345 1.00 0.00 C ATOM 1045 O TYR A 74 -12.900 4.323 0.301 1.00 0.00 O ATOM 1046 CB TYR A 74 -12.504 1.328 2.023 1.00 0.00 C ATOM 1047 CG TYR A 74 -11.112 1.425 1.434 1.00 0.00 C ATOM 1048 CD1 TYR A 74 -10.817 0.767 0.227 1.00 0.00 C ATOM 1049 CD2 TYR A 74 -10.115 2.175 2.084 1.00 0.00 C ATOM 1050 CE1 TYR A 74 -9.533 0.839 -0.331 1.00 0.00 C ATOM 1051 CE2 TYR A 74 -8.818 2.229 1.543 1.00 0.00 C ATOM 1052 CZ TYR A 74 -8.522 1.549 0.345 1.00 0.00 C ATOM 1053 OH TYR A 74 -7.265 1.604 -0.150 1.00 0.00 O ATOM 0 H TYR A 74 -12.985 2.168 -0.668 1.00 0.00 H new ATOM 0 HA TYR A 74 -14.474 2.139 1.873 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -12.460 1.591 3.080 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -12.842 0.293 1.965 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -11.587 0.200 -0.275 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -10.345 2.707 2.995 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -9.321 0.354 -1.272 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.047 2.793 2.047 1.00 0.00 H new ATOM 0 HH TYR A 74 -7.296 1.547 -1.128 1.00 0.00 H new ATOM 1063 N MET A 75 -13.044 4.236 2.553 1.00 0.00 N ATOM 1064 CA MET A 75 -12.696 5.607 2.860 1.00 0.00 C ATOM 1065 C MET A 75 -12.147 5.667 4.287 1.00 0.00 C ATOM 1066 O MET A 75 -12.328 4.719 5.050 1.00 0.00 O ATOM 1067 CB MET A 75 -13.943 6.497 2.696 1.00 0.00 C ATOM 1068 CG MET A 75 -15.180 6.027 3.483 1.00 0.00 C ATOM 1069 SD MET A 75 -16.693 5.818 2.502 1.00 0.00 S ATOM 1070 CE MET A 75 -16.374 4.230 1.695 1.00 0.00 C ATOM 0 H MET A 75 -13.242 3.693 3.393 1.00 0.00 H new ATOM 0 HA MET A 75 -11.929 5.974 2.178 1.00 0.00 H new ATOM 0 HB2 MET A 75 -13.693 7.510 3.011 1.00 0.00 H new ATOM 0 HB3 MET A 75 -14.200 6.546 1.638 1.00 0.00 H new ATOM 0 HG2 MET A 75 -14.945 5.077 3.964 1.00 0.00 H new ATOM 0 HG3 MET A 75 -15.379 6.746 4.278 1.00 0.00 H new ATOM 0 HE1 MET A 75 -17.321 3.757 1.435 1.00 0.00 H new ATOM 0 HE2 MET A 75 -15.789 4.393 0.790 1.00 0.00 H new ATOM 0 HE3 MET A 75 -15.819 3.582 2.374 1.00 0.00 H new ATOM 1080 N GLY A 76 -11.511 6.776 4.662 1.00 0.00 N ATOM 1081 CA GLY A 76 -11.162 7.104 6.043 1.00 0.00 C ATOM 1082 C GLY A 76 -10.093 8.193 6.081 1.00 0.00 C ATOM 1083 O GLY A 76 -9.490 8.481 5.043 1.00 0.00 O ATOM 0 H GLY A 76 -11.217 7.490 3.996 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -12.050 7.439 6.579 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -10.799 6.212 6.554 1.00 0.00 H new ATOM 1087 N SER A 77 -9.859 8.813 7.241 1.00 0.00 N ATOM 1088 CA SER A 77 -8.897 9.908 7.345 1.00 0.00 C ATOM 1089 C SER A 77 -7.455 9.395 7.240 1.00 0.00 C ATOM 1090 O SER A 77 -7.191 8.191 7.353 1.00 0.00 O ATOM 1091 CB SER A 77 -9.157 10.765 8.598 1.00 0.00 C ATOM 1092 OG SER A 77 -9.338 10.039 9.803 1.00 0.00 O ATOM 0 H SER A 77 -10.322 8.574 8.118 1.00 0.00 H new ATOM 0 HA SER A 77 -9.039 10.574 6.494 1.00 0.00 H new ATOM 0 HB2 SER A 77 -8.320 11.451 8.729 1.00 0.00 H new ATOM 0 HB3 SER A 77 -10.044 11.374 8.424 1.00 0.00 H new ATOM 0 HG SER A 77 -9.495 10.664 10.541 1.00 0.00 H new ATOM 1098 N TYR A 78 -6.507 10.312 7.034 1.00 0.00 N ATOM 1099 CA TYR A 78 -5.080 10.025 7.096 1.00 0.00 C ATOM 1100 C TYR A 78 -4.316 11.185 7.737 1.00 0.00 C ATOM 1101 O TYR A 78 -4.907 12.206 8.083 1.00 0.00 O ATOM 1102 CB TYR A 78 -4.545 9.640 5.706 1.00 0.00 C ATOM 1103 CG TYR A 78 -4.598 10.732 4.649 1.00 0.00 C ATOM 1104 CD1 TYR A 78 -3.607 11.732 4.607 1.00 0.00 C ATOM 1105 CD2 TYR A 78 -5.630 10.741 3.692 1.00 0.00 C ATOM 1106 CE1 TYR A 78 -3.684 12.774 3.665 1.00 0.00 C ATOM 1107 CE2 TYR A 78 -5.691 11.763 2.726 1.00 0.00 C ATOM 1108 CZ TYR A 78 -4.741 12.803 2.730 1.00 0.00 C ATOM 1109 OH TYR A 78 -4.902 13.881 1.917 1.00 0.00 O ATOM 0 H TYR A 78 -6.716 11.286 6.817 1.00 0.00 H new ATOM 0 HA TYR A 78 -4.918 9.162 7.741 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -3.510 9.315 5.813 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -5.113 8.783 5.344 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -2.782 11.699 5.303 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -6.377 9.961 3.699 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -2.935 13.552 3.657 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -6.470 11.750 1.978 1.00 0.00 H new ATOM 0 HH TYR A 78 -4.667 13.635 0.998 1.00 0.00 H new ATOM 1119 N ALA A 79 -3.008 11.011 7.944 1.00 0.00 N ATOM 1120 CA ALA A 79 -2.096 11.960 8.562 1.00 0.00 C ATOM 1121 C ALA A 79 -0.703 11.806 7.956 1.00 0.00 C ATOM 1122 O ALA A 79 -0.140 10.705 7.955 1.00 0.00 O ATOM 1123 CB ALA A 79 -2.010 11.700 10.065 1.00 0.00 C ATOM 0 H ALA A 79 -2.536 10.151 7.666 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.469 12.969 8.385 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.325 12.416 10.519 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.999 11.811 10.511 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.645 10.688 10.239 1.00 0.00 H new ATOM 1129 N LEU A 80 -0.150 12.919 7.480 1.00 0.00 N ATOM 1130 CA LEU A 80 1.239 13.082 7.065 1.00 0.00 C ATOM 1131 C LEU A 80 2.005 13.539 8.298 1.00 0.00 C ATOM 1132 O LEU A 80 1.970 14.722 8.661 1.00 0.00 O ATOM 1133 CB LEU A 80 1.353 14.138 5.947 1.00 0.00 C ATOM 1134 CG LEU A 80 1.003 13.701 4.506 1.00 0.00 C ATOM 1135 CD1 LEU A 80 0.178 12.417 4.403 1.00 0.00 C ATOM 1136 CD2 LEU A 80 0.286 14.839 3.774 1.00 0.00 C ATOM 0 H LEU A 80 -0.689 13.777 7.368 1.00 0.00 H new ATOM 0 HA LEU A 80 1.640 12.149 6.670 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.706 14.975 6.210 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.376 14.514 5.944 1.00 0.00 H new ATOM 0 HG LEU A 80 1.958 13.473 4.033 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.017 12.193 3.354 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.730 11.592 4.854 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.768 12.549 4.928 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.043 14.523 2.760 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.632 15.092 4.305 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.936 15.713 3.736 1.00 0.00 H new ATOM 1148 N LYS A 81 2.682 12.607 8.958 1.00 0.00 N ATOM 1149 CA LYS A 81 3.581 12.873 10.080 1.00 0.00 C ATOM 1150 C LYS A 81 4.684 11.823 10.072 1.00 0.00 C ATOM 1151 O LYS A 81 4.536 10.798 9.416 1.00 0.00 O ATOM 1152 CB LYS A 81 2.793 12.884 11.403 1.00 0.00 C ATOM 1153 CG LYS A 81 2.324 11.491 11.864 1.00 0.00 C ATOM 1154 CD LYS A 81 1.355 11.550 13.052 1.00 0.00 C ATOM 1155 CE LYS A 81 1.959 12.182 14.315 1.00 0.00 C ATOM 1156 NZ LYS A 81 2.083 11.242 15.446 1.00 0.00 N ATOM 0 H LYS A 81 2.621 11.616 8.723 1.00 0.00 H new ATOM 0 HA LYS A 81 4.039 13.857 9.981 1.00 0.00 H new ATOM 0 HB2 LYS A 81 3.417 13.322 12.182 1.00 0.00 H new ATOM 0 HB3 LYS A 81 1.923 13.530 11.290 1.00 0.00 H new ATOM 0 HG2 LYS A 81 1.839 10.982 11.031 1.00 0.00 H new ATOM 0 HG3 LYS A 81 3.193 10.893 12.140 1.00 0.00 H new ATOM 0 HD2 LYS A 81 0.471 12.118 12.760 1.00 0.00 H new ATOM 0 HD3 LYS A 81 1.021 10.539 13.287 1.00 0.00 H new ATOM 0 HE2 LYS A 81 2.945 12.581 14.075 1.00 0.00 H new ATOM 0 HE3 LYS A 81 1.340 13.025 14.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 2.497 11.735 16.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 1.142 10.879 15.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 2.697 10.449 15.172 1.00 0.00 H new ATOM 1170 N ASP A 82 5.770 12.040 10.810 1.00 0.00 N ATOM 1171 CA ASP A 82 6.940 11.154 10.932 1.00 0.00 C ATOM 1172 C ASP A 82 7.681 10.880 9.621 1.00 0.00 C ATOM 1173 O ASP A 82 8.613 10.086 9.553 1.00 0.00 O ATOM 1174 CB ASP A 82 6.544 9.858 11.663 1.00 0.00 C ATOM 1175 CG ASP A 82 7.734 8.938 11.924 1.00 0.00 C ATOM 1176 OD1 ASP A 82 8.605 9.361 12.713 1.00 0.00 O ATOM 1177 OD2 ASP A 82 7.716 7.792 11.422 1.00 0.00 O ATOM 0 H ASP A 82 5.869 12.885 11.373 1.00 0.00 H new ATOM 0 HA ASP A 82 7.672 11.695 11.531 1.00 0.00 H new ATOM 0 HB2 ASP A 82 6.072 10.112 12.612 1.00 0.00 H new ATOM 0 HB3 ASP A 82 5.801 9.324 11.070 1.00 0.00 H new ATOM 1182 N GLY A 83 7.295 11.548 8.541 1.00 0.00 N ATOM 1183 CA GLY A 83 7.681 11.113 7.213 1.00 0.00 C ATOM 1184 C GLY A 83 7.128 9.725 6.890 1.00 0.00 C ATOM 1185 O GLY A 83 7.711 9.014 6.066 1.00 0.00 O ATOM 0 H GLY A 83 6.718 12.389 8.562 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.319 11.830 6.476 1.00 0.00 H new ATOM 0 HA3 GLY A 83 8.768 11.099 7.136 1.00 0.00 H new ATOM 1189 N LYS A 84 5.994 9.339 7.487 1.00 0.00 N ATOM 1190 CA LYS A 84 5.197 8.194 7.100 1.00 0.00 C ATOM 1191 C LYS A 84 3.792 8.662 6.746 1.00 0.00 C ATOM 1192 O LYS A 84 3.433 9.825 6.949 1.00 0.00 O ATOM 1193 CB LYS A 84 5.230 7.117 8.185 1.00 0.00 C ATOM 1194 CG LYS A 84 4.216 7.136 9.313 1.00 0.00 C ATOM 1195 CD LYS A 84 4.718 6.230 10.444 1.00 0.00 C ATOM 1196 CE LYS A 84 3.535 5.905 11.352 1.00 0.00 C ATOM 1197 NZ LYS A 84 3.901 5.016 12.471 1.00 0.00 N ATOM 0 H LYS A 84 5.601 9.842 8.282 1.00 0.00 H new ATOM 0 HA LYS A 84 5.616 7.723 6.211 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.139 6.153 7.685 1.00 0.00 H new ATOM 0 HB3 LYS A 84 6.220 7.148 8.640 1.00 0.00 H new ATOM 0 HG2 LYS A 84 4.077 8.154 9.678 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.246 6.790 8.955 1.00 0.00 H new ATOM 0 HD2 LYS A 84 5.148 5.315 10.036 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.506 6.728 11.009 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.123 6.832 11.750 1.00 0.00 H new ATOM 0 HE3 LYS A 84 2.749 5.434 10.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.163 5.056 13.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.991 4.040 12.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 4.807 5.324 12.877 1.00 0.00 H new ATOM 1211 N LEU A 85 3.004 7.748 6.196 1.00 0.00 N ATOM 1212 CA LEU A 85 1.560 7.921 6.112 1.00 0.00 C ATOM 1213 C LEU A 85 0.959 7.134 7.262 1.00 0.00 C ATOM 1214 O LEU A 85 1.354 5.992 7.459 1.00 0.00 O ATOM 1215 CB LEU A 85 1.070 7.366 4.773 1.00 0.00 C ATOM 1216 CG LEU A 85 -0.447 7.491 4.556 1.00 0.00 C ATOM 1217 CD1 LEU A 85 -0.959 8.932 4.608 1.00 0.00 C ATOM 1218 CD2 LEU A 85 -0.728 6.947 3.161 1.00 0.00 C ATOM 0 H LEU A 85 3.344 6.872 5.798 1.00 0.00 H new ATOM 0 HA LEU A 85 1.272 8.970 6.175 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.585 7.887 3.966 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.350 6.315 4.704 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.952 6.948 5.355 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.037 8.941 4.447 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.734 9.363 5.584 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.471 9.520 3.831 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.796 7.012 2.953 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.179 7.533 2.424 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.410 5.906 3.106 1.00 0.00 H new ATOM 1230 N SER A 86 0.003 7.683 8.004 1.00 0.00 N ATOM 1231 CA SER A 86 -0.802 6.879 8.922 1.00 0.00 C ATOM 1232 C SER A 86 -2.269 7.163 8.653 1.00 0.00 C ATOM 1233 O SER A 86 -2.651 8.322 8.483 1.00 0.00 O ATOM 1234 CB SER A 86 -0.413 7.123 10.384 1.00 0.00 C ATOM 1235 OG SER A 86 0.141 8.411 10.609 1.00 0.00 O ATOM 0 H SER A 86 -0.234 8.675 7.990 1.00 0.00 H new ATOM 0 HA SER A 86 -0.611 5.820 8.746 1.00 0.00 H new ATOM 0 HB2 SER A 86 -1.294 6.999 11.013 1.00 0.00 H new ATOM 0 HB3 SER A 86 0.308 6.366 10.692 1.00 0.00 H new ATOM 0 HG SER A 86 0.367 8.509 11.557 1.00 0.00 H new ATOM 1241 N PHE A 87 -3.087 6.117 8.585 1.00 0.00 N ATOM 1242 CA PHE A 87 -4.513 6.231 8.304 1.00 0.00 C ATOM 1243 C PHE A 87 -5.306 6.381 9.613 1.00 0.00 C ATOM 1244 O PHE A 87 -4.716 6.543 10.685 1.00 0.00 O ATOM 1245 CB PHE A 87 -4.953 5.051 7.430 1.00 0.00 C ATOM 1246 CG PHE A 87 -4.362 5.063 6.026 1.00 0.00 C ATOM 1247 CD1 PHE A 87 -4.979 5.816 5.005 1.00 0.00 C ATOM 1248 CD2 PHE A 87 -3.199 4.324 5.728 1.00 0.00 C ATOM 1249 CE1 PHE A 87 -4.452 5.805 3.700 1.00 0.00 C ATOM 1250 CE2 PHE A 87 -2.658 4.339 4.430 1.00 0.00 C ATOM 1251 CZ PHE A 87 -3.310 5.048 3.410 1.00 0.00 C ATOM 0 H PHE A 87 -2.774 5.156 8.725 1.00 0.00 H new ATOM 0 HA PHE A 87 -4.724 7.135 7.733 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -4.670 4.121 7.924 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.040 5.054 7.355 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -5.859 6.403 5.225 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -2.720 3.742 6.502 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -4.929 6.381 2.921 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -1.743 3.806 4.219 1.00 0.00 H new ATOM 0 HZ PHE A 87 -2.931 5.010 2.400 1.00 0.00 H new ATOM 1261 N GLY A 88 -6.633 6.419 9.530 1.00 0.00 N ATOM 1262 CA GLY A 88 -7.564 6.536 10.645 1.00 0.00 C ATOM 1263 C GLY A 88 -8.498 5.331 10.657 1.00 0.00 C ATOM 1264 O GLY A 88 -8.105 4.234 10.247 1.00 0.00 O ATOM 0 H GLY A 88 -7.113 6.366 8.632 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -7.016 6.594 11.585 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -8.141 7.456 10.555 1.00 0.00 H new ATOM 1268 N THR A 89 -9.729 5.527 11.132 1.00 0.00 N ATOM 1269 CA THR A 89 -10.775 4.516 11.065 1.00 0.00 C ATOM 1270 C THR A 89 -11.201 4.341 9.598 1.00 0.00 C ATOM 1271 O THR A 89 -12.087 5.031 9.094 1.00 0.00 O ATOM 1272 CB THR A 89 -11.878 4.810 12.104 1.00 0.00 C ATOM 1273 OG1 THR A 89 -12.786 3.732 12.178 1.00 0.00 O ATOM 1274 CG2 THR A 89 -12.650 6.124 11.949 1.00 0.00 C ATOM 0 H THR A 89 -10.026 6.397 11.575 1.00 0.00 H new ATOM 0 HA THR A 89 -10.425 3.529 11.366 1.00 0.00 H new ATOM 0 HB THR A 89 -11.321 4.934 13.033 1.00 0.00 H new ATOM 0 HG1 THR A 89 -13.478 3.932 12.842 1.00 0.00 H new ATOM 0 HG21 THR A 89 -13.393 6.205 12.742 1.00 0.00 H new ATOM 0 HG22 THR A 89 -11.957 6.963 12.014 1.00 0.00 H new ATOM 0 HG23 THR A 89 -13.150 6.140 10.980 1.00 0.00 H new ATOM 1282 N LEU A 90 -10.479 3.484 8.875 1.00 0.00 N ATOM 1283 CA LEU A 90 -10.744 3.104 7.498 1.00 0.00 C ATOM 1284 C LEU A 90 -11.893 2.106 7.462 1.00 0.00 C ATOM 1285 O LEU A 90 -11.855 1.124 8.206 1.00 0.00 O ATOM 1286 CB LEU A 90 -9.505 2.401 6.914 1.00 0.00 C ATOM 1287 CG LEU A 90 -8.294 3.318 6.698 1.00 0.00 C ATOM 1288 CD1 LEU A 90 -7.032 2.461 6.572 1.00 0.00 C ATOM 1289 CD2 LEU A 90 -8.502 4.185 5.456 1.00 0.00 C ATOM 0 H LEU A 90 -9.656 3.017 9.257 1.00 0.00 H new ATOM 0 HA LEU A 90 -10.988 3.998 6.925 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.215 1.589 7.582 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -9.776 1.948 5.960 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.180 3.986 7.551 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.167 3.107 6.418 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -6.894 1.881 7.484 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.135 1.784 5.724 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -7.636 4.831 5.314 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -8.625 3.545 4.582 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -9.394 4.798 5.585 1.00 0.00 H new ATOM 1301 N GLY A 91 -12.841 2.272 6.541 1.00 0.00 N ATOM 1302 CA GLY A 91 -13.870 1.275 6.309 1.00 0.00 C ATOM 1303 C GLY A 91 -14.678 1.553 5.053 1.00 0.00 C ATOM 1304 O GLY A 91 -14.595 2.629 4.455 1.00 0.00 O ATOM 0 H GLY A 91 -12.913 3.095 5.943 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -13.407 0.292 6.229 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -14.540 1.243 7.168 1.00 0.00 H new ATOM 1308 N GLY A 92 -15.480 0.574 4.647 1.00 0.00 N ATOM 1309 CA GLY A 92 -16.351 0.635 3.486 1.00 0.00 C ATOM 1310 C GLY A 92 -17.632 -0.140 3.756 1.00 0.00 C ATOM 1311 O GLY A 92 -17.923 -0.493 4.905 1.00 0.00 O ATOM 0 H GLY A 92 -15.541 -0.317 5.139 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -16.587 1.673 3.252 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -15.841 0.220 2.616 1.00 0.00 H new ATOM 1315 N THR A 93 -18.419 -0.364 2.710 1.00 0.00 N ATOM 1316 CA THR A 93 -19.593 -1.223 2.730 1.00 0.00 C ATOM 1317 C THR A 93 -19.183 -2.698 2.764 1.00 0.00 C ATOM 1318 O THR A 93 -18.000 -3.040 2.769 1.00 0.00 O ATOM 1319 CB THR A 93 -20.446 -0.895 1.492 1.00 0.00 C ATOM 1320 OG1 THR A 93 -19.623 -0.783 0.344 1.00 0.00 O ATOM 1321 CG2 THR A 93 -21.179 0.423 1.724 1.00 0.00 C ATOM 0 H THR A 93 -18.251 0.061 1.798 1.00 0.00 H new ATOM 0 HA THR A 93 -20.181 -1.043 3.630 1.00 0.00 H new ATOM 0 HB THR A 93 -21.166 -1.697 1.331 1.00 0.00 H new ATOM 0 HG1 THR A 93 -20.177 -0.576 -0.437 1.00 0.00 H new ATOM 0 HG21 THR A 93 -21.785 0.661 0.850 1.00 0.00 H new ATOM 0 HG22 THR A 93 -21.823 0.332 2.599 1.00 0.00 H new ATOM 0 HG23 THR A 93 -20.453 1.219 1.889 1.00 0.00 H new ATOM 1329 N ARG A 94 -20.172 -3.588 2.765 1.00 0.00 N ATOM 1330 CA ARG A 94 -19.997 -5.028 2.668 1.00 0.00 C ATOM 1331 C ARG A 94 -20.927 -5.503 1.561 1.00 0.00 C ATOM 1332 O ARG A 94 -22.070 -5.877 1.818 1.00 0.00 O ATOM 1333 CB ARG A 94 -20.242 -5.708 4.020 1.00 0.00 C ATOM 1334 CG ARG A 94 -19.120 -5.386 5.029 1.00 0.00 C ATOM 1335 CD ARG A 94 -18.995 -6.544 6.018 1.00 0.00 C ATOM 1336 NE ARG A 94 -17.852 -6.405 6.936 1.00 0.00 N ATOM 1337 CZ ARG A 94 -17.496 -7.319 7.853 1.00 0.00 C ATOM 1338 NH1 ARG A 94 -18.268 -8.382 8.058 1.00 0.00 N ATOM 1339 NH2 ARG A 94 -16.388 -7.179 8.568 1.00 0.00 N ATOM 0 H ARG A 94 -21.152 -3.312 2.836 1.00 0.00 H new ATOM 0 HA ARG A 94 -18.972 -5.298 2.414 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -21.200 -5.381 4.424 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -20.307 -6.787 3.879 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -18.176 -5.233 4.506 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -19.344 -4.460 5.559 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -19.913 -6.616 6.601 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -18.895 -7.477 5.464 1.00 0.00 H new ATOM 0 HE ARG A 94 -17.292 -5.555 6.871 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -19.126 -8.500 7.520 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -18.002 -9.079 8.753 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -15.789 -6.366 8.426 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -16.135 -7.884 9.260 1.00 0.00 H new ATOM 1353 N MET A 95 -20.465 -5.374 0.319 1.00 0.00 N ATOM 1354 CA MET A 95 -21.073 -6.004 -0.852 1.00 0.00 C ATOM 1355 C MET A 95 -20.680 -7.487 -0.859 1.00 0.00 C ATOM 1356 O MET A 95 -19.963 -7.942 0.039 1.00 0.00 O ATOM 1357 CB MET A 95 -20.590 -5.350 -2.162 1.00 0.00 C ATOM 1358 CG MET A 95 -20.383 -3.829 -2.144 1.00 0.00 C ATOM 1359 SD MET A 95 -19.346 -3.287 -3.528 1.00 0.00 S ATOM 1360 CE MET A 95 -18.812 -1.668 -2.922 1.00 0.00 C ATOM 0 H MET A 95 -19.641 -4.817 0.093 1.00 0.00 H new ATOM 0 HA MET A 95 -22.155 -5.882 -0.793 1.00 0.00 H new ATOM 0 HB2 MET A 95 -19.647 -5.817 -2.447 1.00 0.00 H new ATOM 0 HB3 MET A 95 -21.312 -5.585 -2.945 1.00 0.00 H new ATOM 0 HG2 MET A 95 -21.350 -3.328 -2.194 1.00 0.00 H new ATOM 0 HG3 MET A 95 -19.919 -3.534 -1.203 1.00 0.00 H new ATOM 0 HE1 MET A 95 -17.877 -1.389 -3.407 1.00 0.00 H new ATOM 0 HE2 MET A 95 -19.575 -0.924 -3.150 1.00 0.00 H new ATOM 0 HE3 MET A 95 -18.662 -1.715 -1.843 1.00 0.00 H new ATOM 1370 N ALA A 96 -21.069 -8.226 -1.902 1.00 0.00 N ATOM 1371 CA ALA A 96 -20.722 -9.627 -2.083 1.00 0.00 C ATOM 1372 C ALA A 96 -19.979 -9.837 -3.400 1.00 0.00 C ATOM 1373 O ALA A 96 -20.581 -9.827 -4.470 1.00 0.00 O ATOM 1374 CB ALA A 96 -21.980 -10.495 -2.020 1.00 0.00 C ATOM 0 H ALA A 96 -21.646 -7.854 -2.656 1.00 0.00 H new ATOM 0 HA ALA A 96 -20.056 -9.927 -1.274 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -21.707 -11.541 -2.157 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -22.461 -10.369 -1.050 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -22.670 -10.194 -2.808 1.00 0.00 H new ATOM 1380 N CYS A 97 -18.696 -10.156 -3.323 1.00 0.00 N ATOM 1381 CA CYS A 97 -17.926 -10.711 -4.427 1.00 0.00 C ATOM 1382 C CYS A 97 -17.394 -12.067 -4.010 1.00 0.00 C ATOM 1383 O CYS A 97 -16.414 -12.144 -3.269 1.00 0.00 O ATOM 1384 CB CYS A 97 -16.784 -9.766 -4.782 1.00 0.00 C ATOM 1385 SG CYS A 97 -17.333 -8.279 -5.627 1.00 0.00 S ATOM 0 H CYS A 97 -18.148 -10.033 -2.471 1.00 0.00 H new ATOM 0 HA CYS A 97 -18.556 -10.828 -5.309 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -16.257 -9.485 -3.870 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -16.069 -10.292 -5.414 1.00 0.00 H new ATOM 1390 N MET A 98 -18.043 -13.119 -4.512 1.00 0.00 N ATOM 1391 CA MET A 98 -17.790 -14.550 -4.282 1.00 0.00 C ATOM 1392 C MET A 98 -16.409 -15.013 -4.791 1.00 0.00 C ATOM 1393 O MET A 98 -16.313 -15.875 -5.665 1.00 0.00 O ATOM 1394 CB MET A 98 -18.928 -15.350 -4.949 1.00 0.00 C ATOM 1395 CG MET A 98 -19.139 -14.981 -6.426 1.00 0.00 C ATOM 1396 SD MET A 98 -20.409 -15.927 -7.284 1.00 0.00 S ATOM 1397 CE MET A 98 -21.865 -15.292 -6.414 1.00 0.00 C ATOM 0 H MET A 98 -18.830 -12.983 -5.147 1.00 0.00 H new ATOM 0 HA MET A 98 -17.773 -14.730 -3.207 1.00 0.00 H new ATOM 0 HB2 MET A 98 -18.707 -16.415 -4.875 1.00 0.00 H new ATOM 0 HB3 MET A 98 -19.855 -15.177 -4.402 1.00 0.00 H new ATOM 0 HG2 MET A 98 -19.395 -13.923 -6.486 1.00 0.00 H new ATOM 0 HG3 MET A 98 -18.194 -15.111 -6.954 1.00 0.00 H new ATOM 0 HE1 MET A 98 -22.766 -15.567 -6.963 1.00 0.00 H new ATOM 0 HE2 MET A 98 -21.906 -15.720 -5.412 1.00 0.00 H new ATOM 0 HE3 MET A 98 -21.801 -14.206 -6.343 1.00 0.00 H new ATOM 1407 N THR A 99 -15.329 -14.397 -4.316 1.00 0.00 N ATOM 1408 CA THR A 99 -14.017 -14.444 -4.953 1.00 0.00 C ATOM 1409 C THR A 99 -12.912 -14.341 -3.894 1.00 0.00 C ATOM 1410 O THR A 99 -13.157 -13.756 -2.830 1.00 0.00 O ATOM 1411 CB THR A 99 -13.913 -13.280 -5.956 1.00 0.00 C ATOM 1412 OG1 THR A 99 -14.199 -12.040 -5.333 1.00 0.00 O ATOM 1413 CG2 THR A 99 -14.882 -13.408 -7.130 1.00 0.00 C ATOM 0 H THR A 99 -15.343 -13.841 -3.461 1.00 0.00 H new ATOM 0 HA THR A 99 -13.894 -15.390 -5.479 1.00 0.00 H new ATOM 0 HB THR A 99 -12.887 -13.320 -6.322 1.00 0.00 H new ATOM 0 HG1 THR A 99 -14.124 -11.318 -5.992 1.00 0.00 H new ATOM 0 HG21 THR A 99 -14.758 -12.556 -7.799 1.00 0.00 H new ATOM 0 HG22 THR A 99 -14.675 -14.330 -7.674 1.00 0.00 H new ATOM 0 HG23 THR A 99 -15.906 -13.429 -6.756 1.00 0.00 H new ATOM 1421 N PRO A 100 -11.696 -14.848 -4.162 1.00 0.00 N ATOM 1422 CA PRO A 100 -10.587 -14.768 -3.219 1.00 0.00 C ATOM 1423 C PRO A 100 -10.040 -13.338 -3.129 1.00 0.00 C ATOM 1424 O PRO A 100 -9.565 -12.922 -2.071 1.00 0.00 O ATOM 1425 CB PRO A 100 -9.544 -15.759 -3.742 1.00 0.00 C ATOM 1426 CG PRO A 100 -9.789 -15.780 -5.249 1.00 0.00 C ATOM 1427 CD PRO A 100 -11.295 -15.550 -5.374 1.00 0.00 C ATOM 0 HA PRO A 100 -10.890 -15.020 -2.203 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -8.530 -15.436 -3.506 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -9.674 -16.747 -3.301 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -9.221 -15.001 -5.758 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -9.491 -16.731 -5.690 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -11.527 -14.961 -6.261 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -11.827 -16.496 -5.471 1.00 0.00 H new ATOM 1435 N GLY A 101 -10.138 -12.561 -4.212 1.00 0.00 N ATOM 1436 CA GLY A 101 -9.813 -11.144 -4.201 1.00 0.00 C ATOM 1437 C GLY A 101 -10.912 -10.325 -3.536 1.00 0.00 C ATOM 1438 O GLY A 101 -10.669 -9.160 -3.282 1.00 0.00 O ATOM 0 H GLY A 101 -10.447 -12.905 -5.121 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -8.872 -10.989 -3.673 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -9.666 -10.795 -5.223 1.00 0.00 H new ATOM 1442 N GLY A 102 -12.076 -10.890 -3.196 1.00 0.00 N ATOM 1443 CA GLY A 102 -13.118 -10.180 -2.466 1.00 0.00 C ATOM 1444 C GLY A 102 -12.856 -10.233 -0.965 1.00 0.00 C ATOM 1445 O GLY A 102 -12.707 -9.197 -0.317 1.00 0.00 O ATOM 0 H GLY A 102 -12.317 -11.855 -3.422 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -13.158 -9.142 -2.797 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -14.089 -10.622 -2.686 1.00 0.00 H new ATOM 1449 N GLN A 103 -12.788 -11.446 -0.403 1.00 0.00 N ATOM 1450 CA GLN A 103 -12.845 -11.662 1.044 1.00 0.00 C ATOM 1451 C GLN A 103 -11.618 -11.126 1.794 1.00 0.00 C ATOM 1452 O GLN A 103 -11.650 -11.039 3.022 1.00 0.00 O ATOM 1453 CB GLN A 103 -13.056 -13.156 1.354 1.00 0.00 C ATOM 1454 CG GLN A 103 -14.412 -13.676 0.855 1.00 0.00 C ATOM 1455 CD GLN A 103 -14.921 -14.861 1.677 1.00 0.00 C ATOM 1456 OE1 GLN A 103 -14.469 -15.996 1.539 1.00 0.00 O ATOM 1457 NE2 GLN A 103 -15.859 -14.624 2.577 1.00 0.00 N ATOM 0 H GLN A 103 -12.692 -12.306 -0.942 1.00 0.00 H new ATOM 0 HA GLN A 103 -13.697 -11.087 1.406 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -12.256 -13.736 0.893 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -12.984 -13.314 2.430 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -15.144 -12.869 0.894 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -14.322 -13.974 -0.190 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -16.232 -13.681 2.689 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -16.210 -15.384 3.160 1.00 0.00 H new ATOM 1466 N ILE A 104 -10.551 -10.766 1.083 1.00 0.00 N ATOM 1467 CA ILE A 104 -9.337 -10.156 1.614 1.00 0.00 C ATOM 1468 C ILE A 104 -9.568 -8.758 2.208 1.00 0.00 C ATOM 1469 O ILE A 104 -8.720 -8.290 2.963 1.00 0.00 O ATOM 1470 CB ILE A 104 -8.291 -10.125 0.480 1.00 0.00 C ATOM 1471 CG1 ILE A 104 -6.924 -9.608 0.975 1.00 0.00 C ATOM 1472 CG2 ILE A 104 -8.794 -9.292 -0.707 1.00 0.00 C ATOM 1473 CD1 ILE A 104 -5.781 -10.053 0.062 1.00 0.00 C ATOM 0 H ILE A 104 -10.509 -10.899 0.073 1.00 0.00 H new ATOM 0 HA ILE A 104 -8.979 -10.757 2.450 1.00 0.00 H new ATOM 0 HB ILE A 104 -8.148 -11.151 0.142 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -6.945 -8.519 1.026 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -6.743 -9.972 1.987 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -8.039 -9.286 -1.493 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -9.716 -9.728 -1.093 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -8.985 -8.270 -0.379 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -4.837 -9.668 0.447 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -5.743 -11.142 0.031 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -5.947 -9.667 -0.944 1.00 0.00 H new ATOM 1485 N GLU A 105 -10.692 -8.098 1.897 1.00 0.00 N ATOM 1486 CA GLU A 105 -11.015 -6.738 2.339 1.00 0.00 C ATOM 1487 C GLU A 105 -10.718 -6.552 3.826 1.00 0.00 C ATOM 1488 O GLU A 105 -9.972 -5.631 4.166 1.00 0.00 O ATOM 1489 CB GLU A 105 -12.481 -6.452 1.944 1.00 0.00 C ATOM 1490 CG GLU A 105 -13.216 -5.351 2.737 1.00 0.00 C ATOM 1491 CD GLU A 105 -13.945 -5.832 3.998 1.00 0.00 C ATOM 1492 OE1 GLU A 105 -14.105 -7.060 4.199 1.00 0.00 O ATOM 1493 OE2 GLU A 105 -14.338 -4.972 4.813 1.00 0.00 O ATOM 0 H GLU A 105 -11.421 -8.509 1.314 1.00 0.00 H new ATOM 0 HA GLU A 105 -10.381 -6.001 1.845 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -12.501 -6.181 0.889 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -13.047 -7.378 2.046 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -12.493 -4.587 3.024 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -13.940 -4.873 2.078 1.00 0.00 H new ATOM 1500 N GLY A 106 -11.195 -7.438 4.690 1.00 0.00 N ATOM 1501 CA GLY A 106 -10.991 -7.331 6.124 1.00 0.00 C ATOM 1502 C GLY A 106 -9.510 -7.258 6.492 1.00 0.00 C ATOM 1503 O GLY A 106 -9.141 -6.489 7.384 1.00 0.00 O ATOM 0 H GLY A 106 -11.738 -8.256 4.411 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -11.500 -6.442 6.496 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -11.445 -8.190 6.619 1.00 0.00 H new ATOM 1507 N ALA A 107 -8.647 -8.003 5.794 1.00 0.00 N ATOM 1508 CA ALA A 107 -7.226 -8.027 6.083 1.00 0.00 C ATOM 1509 C ALA A 107 -6.575 -6.728 5.625 1.00 0.00 C ATOM 1510 O ALA A 107 -5.728 -6.191 6.335 1.00 0.00 O ATOM 1511 CB ALA A 107 -6.580 -9.228 5.393 1.00 0.00 C ATOM 0 H ALA A 107 -8.922 -8.602 5.016 1.00 0.00 H new ATOM 0 HA ALA A 107 -7.079 -8.121 7.159 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -5.512 -9.243 5.612 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -7.038 -10.147 5.758 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -6.728 -9.152 4.316 1.00 0.00 H new ATOM 1517 N TYR A 108 -6.962 -6.218 4.448 1.00 0.00 N ATOM 1518 CA TYR A 108 -6.412 -4.980 3.906 1.00 0.00 C ATOM 1519 C TYR A 108 -6.584 -3.859 4.920 1.00 0.00 C ATOM 1520 O TYR A 108 -5.636 -3.135 5.234 1.00 0.00 O ATOM 1521 CB TYR A 108 -7.120 -4.585 2.596 1.00 0.00 C ATOM 1522 CG TYR A 108 -6.605 -5.185 1.343 1.00 0.00 C ATOM 1523 CD1 TYR A 108 -5.251 -5.070 1.013 1.00 0.00 C ATOM 1524 CD2 TYR A 108 -7.528 -5.779 0.483 1.00 0.00 C ATOM 1525 CE1 TYR A 108 -4.782 -5.709 -0.142 1.00 0.00 C ATOM 1526 CE2 TYR A 108 -7.067 -6.407 -0.682 1.00 0.00 C ATOM 1527 CZ TYR A 108 -5.684 -6.404 -0.976 1.00 0.00 C ATOM 1528 OH TYR A 108 -5.225 -7.064 -2.068 1.00 0.00 O ATOM 0 H TYR A 108 -7.664 -6.655 3.850 1.00 0.00 H new ATOM 0 HA TYR A 108 -5.354 -5.141 3.697 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -8.174 -4.848 2.689 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -7.069 -3.501 2.498 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -4.579 -4.499 1.637 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -8.583 -5.755 0.711 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -3.732 -5.670 -0.394 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -7.764 -6.890 -1.351 1.00 0.00 H new ATOM 0 HH TYR A 108 -5.806 -7.831 -2.255 1.00 0.00 H new ATOM 1538 N LEU A 109 -7.795 -3.736 5.465 1.00 0.00 N ATOM 1539 CA LEU A 109 -8.081 -2.688 6.428 1.00 0.00 C ATOM 1540 C LEU A 109 -7.264 -2.910 7.696 1.00 0.00 C ATOM 1541 O LEU A 109 -6.771 -1.952 8.285 1.00 0.00 O ATOM 1542 CB LEU A 109 -9.576 -2.677 6.816 1.00 0.00 C ATOM 1543 CG LEU A 109 -10.607 -2.658 5.673 1.00 0.00 C ATOM 1544 CD1 LEU A 109 -11.999 -2.323 6.218 1.00 0.00 C ATOM 1545 CD2 LEU A 109 -10.203 -1.657 4.603 1.00 0.00 C ATOM 0 H LEU A 109 -8.584 -4.347 5.254 1.00 0.00 H new ATOM 0 HA LEU A 109 -7.821 -1.737 5.964 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -9.771 -3.556 7.430 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -9.754 -1.804 7.444 1.00 0.00 H new ATOM 0 HG LEU A 109 -10.638 -3.649 5.221 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -12.718 -2.313 5.399 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -12.294 -3.075 6.950 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -11.977 -1.342 6.693 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -10.945 -1.659 3.804 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -10.144 -0.661 5.041 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -9.230 -1.933 4.196 1.00 0.00 H new ATOM 1557 N ASN A 110 -7.117 -4.174 8.108 1.00 0.00 N ATOM 1558 CA ASN A 110 -6.410 -4.538 9.330 1.00 0.00 C ATOM 1559 C ASN A 110 -4.910 -4.273 9.262 1.00 0.00 C ATOM 1560 O ASN A 110 -4.234 -4.258 10.294 1.00 0.00 O ATOM 1561 CB ASN A 110 -6.616 -6.025 9.662 1.00 0.00 C ATOM 1562 CG ASN A 110 -6.894 -6.217 11.141 1.00 0.00 C ATOM 1563 OD1 ASN A 110 -7.888 -6.834 11.518 1.00 0.00 O ATOM 1564 ND2 ASN A 110 -6.088 -5.612 11.992 1.00 0.00 N ATOM 0 H ASN A 110 -7.489 -4.974 7.596 1.00 0.00 H new ATOM 0 HA ASN A 110 -6.836 -3.904 10.108 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -7.447 -6.420 9.078 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -5.729 -6.591 9.378 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -6.282 -5.649 12.993 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -5.270 -5.107 11.649 1.00 0.00 H new ATOM 1571 N ALA A 111 -4.384 -4.151 8.052 1.00 0.00 N ATOM 1572 CA ALA A 111 -2.991 -3.896 7.784 1.00 0.00 C ATOM 1573 C ALA A 111 -2.724 -2.403 7.653 1.00 0.00 C ATOM 1574 O ALA A 111 -1.739 -1.912 8.204 1.00 0.00 O ATOM 1575 CB ALA A 111 -2.634 -4.624 6.491 1.00 0.00 C ATOM 0 H ALA A 111 -4.944 -4.231 7.203 1.00 0.00 H new ATOM 0 HA ALA A 111 -2.376 -4.257 8.609 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -1.584 -4.453 6.255 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -2.809 -5.693 6.615 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -3.254 -4.247 5.678 1.00 0.00 H new ATOM 1581 N LEU A 112 -3.579 -1.671 6.938 1.00 0.00 N ATOM 1582 CA LEU A 112 -3.362 -0.251 6.669 1.00 0.00 C ATOM 1583 C LEU A 112 -3.335 0.607 7.935 1.00 0.00 C ATOM 1584 O LEU A 112 -2.811 1.719 7.912 1.00 0.00 O ATOM 1585 CB LEU A 112 -4.435 0.263 5.700 1.00 0.00 C ATOM 1586 CG LEU A 112 -4.176 -0.136 4.238 1.00 0.00 C ATOM 1587 CD1 LEU A 112 -5.366 0.295 3.386 1.00 0.00 C ATOM 1588 CD2 LEU A 112 -2.936 0.556 3.690 1.00 0.00 C ATOM 0 H LEU A 112 -4.437 -2.044 6.531 1.00 0.00 H new ATOM 0 HA LEU A 112 -2.374 -0.161 6.217 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -5.407 -0.122 6.008 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -4.486 1.350 5.769 1.00 0.00 H new ATOM 0 HG LEU A 112 -4.031 -1.216 4.203 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -5.190 0.016 2.347 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -6.269 -0.198 3.746 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -5.490 1.376 3.455 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -2.779 0.254 2.655 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -3.072 1.637 3.736 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -2.068 0.274 4.286 1.00 0.00 H new ATOM 1600 N THR A 113 -3.854 0.105 9.049 1.00 0.00 N ATOM 1601 CA THR A 113 -3.789 0.755 10.342 1.00 0.00 C ATOM 1602 C THR A 113 -2.377 0.716 10.969 1.00 0.00 C ATOM 1603 O THR A 113 -2.136 1.447 11.931 1.00 0.00 O ATOM 1604 CB THR A 113 -4.864 0.103 11.233 1.00 0.00 C ATOM 1605 OG1 THR A 113 -4.931 -1.296 11.026 1.00 0.00 O ATOM 1606 CG2 THR A 113 -6.256 0.641 10.893 1.00 0.00 C ATOM 0 H THR A 113 -4.344 -0.789 9.073 1.00 0.00 H new ATOM 0 HA THR A 113 -3.992 1.820 10.234 1.00 0.00 H new ATOM 0 HB THR A 113 -4.583 0.335 12.260 1.00 0.00 H new ATOM 0 HG1 THR A 113 -5.621 -1.680 11.607 1.00 0.00 H new ATOM 0 HG21 THR A 113 -6.997 0.165 11.536 1.00 0.00 H new ATOM 0 HG22 THR A 113 -6.278 1.719 11.051 1.00 0.00 H new ATOM 0 HG23 THR A 113 -6.486 0.422 9.850 1.00 0.00 H new ATOM 1614 N HIS A 114 -1.422 -0.064 10.440 1.00 0.00 N ATOM 1615 CA HIS A 114 -0.144 -0.373 11.088 1.00 0.00 C ATOM 1616 C HIS A 114 1.030 0.002 10.183 1.00 0.00 C ATOM 1617 O HIS A 114 1.874 -0.839 9.875 1.00 0.00 O ATOM 1618 CB HIS A 114 -0.103 -1.864 11.474 1.00 0.00 C ATOM 1619 CG HIS A 114 -0.957 -2.193 12.662 1.00 0.00 C ATOM 1620 ND1 HIS A 114 -0.498 -2.447 13.933 1.00 0.00 N ATOM 1621 CD2 HIS A 114 -2.311 -2.372 12.658 1.00 0.00 C ATOM 1622 CE1 HIS A 114 -1.560 -2.723 14.694 1.00 0.00 C ATOM 1623 NE2 HIS A 114 -2.694 -2.655 13.975 1.00 0.00 N ATOM 0 H HIS A 114 -1.522 -0.507 9.527 1.00 0.00 H new ATOM 0 HA HIS A 114 -0.054 0.221 11.997 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -0.431 -2.462 10.623 1.00 0.00 H new ATOM 0 HB3 HIS A 114 0.927 -2.149 11.686 1.00 0.00 H new ATOM 0 HD1 HIS A 114 0.475 -2.428 14.238 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -2.964 -2.307 11.800 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -1.514 -2.968 15.745 1.00 0.00 H new ATOM 1631 N ILE A 115 1.118 1.259 9.747 1.00 0.00 N ATOM 1632 CA ILE A 115 2.247 1.739 8.951 1.00 0.00 C ATOM 1633 C ILE A 115 3.394 2.029 9.921 1.00 0.00 C ATOM 1634 O ILE A 115 3.777 3.177 10.148 1.00 0.00 O ATOM 1635 CB ILE A 115 1.845 2.962 8.088 1.00 0.00 C ATOM 1636 CG1 ILE A 115 0.503 2.773 7.340 1.00 0.00 C ATOM 1637 CG2 ILE A 115 2.971 3.334 7.100 1.00 0.00 C ATOM 1638 CD1 ILE A 115 0.405 1.481 6.523 1.00 0.00 C ATOM 0 H ILE A 115 0.411 1.970 9.935 1.00 0.00 H new ATOM 0 HA ILE A 115 2.573 0.987 8.232 1.00 0.00 H new ATOM 0 HB ILE A 115 1.695 3.787 8.785 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -0.309 2.790 8.067 1.00 0.00 H new ATOM 0 HG13 ILE A 115 0.351 3.622 6.673 1.00 0.00 H new ATOM 0 HG21 ILE A 115 2.664 4.195 6.506 1.00 0.00 H new ATOM 0 HG22 ILE A 115 3.876 3.580 7.656 1.00 0.00 H new ATOM 0 HG23 ILE A 115 3.169 2.490 6.440 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -0.568 1.433 6.034 1.00 0.00 H new ATOM 0 HD12 ILE A 115 1.192 1.467 5.769 1.00 0.00 H new ATOM 0 HD13 ILE A 115 0.521 0.623 7.184 1.00 0.00 H new ATOM 1650 N ASP A 116 3.918 0.989 10.562 1.00 0.00 N ATOM 1651 CA ASP A 116 5.007 1.156 11.513 1.00 0.00 C ATOM 1652 C ASP A 116 6.319 1.396 10.768 1.00 0.00 C ATOM 1653 O ASP A 116 7.158 2.179 11.218 1.00 0.00 O ATOM 1654 CB ASP A 116 5.103 -0.038 12.465 1.00 0.00 C ATOM 1655 CG ASP A 116 5.325 0.467 13.895 1.00 0.00 C ATOM 1656 OD1 ASP A 116 6.329 1.164 14.160 1.00 0.00 O ATOM 1657 OD2 ASP A 116 4.408 0.301 14.734 1.00 0.00 O ATOM 0 H ASP A 116 3.606 0.026 10.440 1.00 0.00 H new ATOM 0 HA ASP A 116 4.801 2.032 12.129 1.00 0.00 H new ATOM 0 HB2 ASP A 116 4.190 -0.631 12.415 1.00 0.00 H new ATOM 0 HB3 ASP A 116 5.924 -0.690 12.166 1.00 0.00 H new ATOM 1662 N ARG A 117 6.452 0.810 9.576 1.00 0.00 N ATOM 1663 CA ARG A 117 7.524 1.078 8.629 1.00 0.00 C ATOM 1664 C ARG A 117 6.913 1.494 7.295 1.00 0.00 C ATOM 1665 O ARG A 117 5.720 1.314 7.034 1.00 0.00 O ATOM 1666 CB ARG A 117 8.415 -0.147 8.479 1.00 0.00 C ATOM 1667 CG ARG A 117 9.353 -0.348 9.670 1.00 0.00 C ATOM 1668 CD ARG A 117 10.650 -0.997 9.178 1.00 0.00 C ATOM 1669 NE ARG A 117 11.572 -0.004 8.599 1.00 0.00 N ATOM 1670 CZ ARG A 117 12.256 0.908 9.302 1.00 0.00 C ATOM 1671 NH1 ARG A 117 12.317 0.845 10.630 1.00 0.00 N ATOM 1672 NH2 ARG A 117 12.869 1.897 8.671 1.00 0.00 N ATOM 0 H ARG A 117 5.790 0.112 9.237 1.00 0.00 H new ATOM 0 HA ARG A 117 8.151 1.891 8.995 1.00 0.00 H new ATOM 0 HB2 ARG A 117 7.790 -1.032 8.361 1.00 0.00 H new ATOM 0 HB3 ARG A 117 9.007 -0.051 7.569 1.00 0.00 H new ATOM 0 HG2 ARG A 117 9.568 0.609 10.146 1.00 0.00 H new ATOM 0 HG3 ARG A 117 8.878 -0.979 10.422 1.00 0.00 H new ATOM 0 HD2 ARG A 117 11.139 -1.507 10.008 1.00 0.00 H new ATOM 0 HD3 ARG A 117 10.417 -1.756 8.431 1.00 0.00 H new ATOM 0 HE ARG A 117 11.699 -0.012 7.587 1.00 0.00 H new ATOM 0 HH11 ARG A 117 11.838 0.094 11.127 1.00 0.00 H new ATOM 0 HH12 ARG A 117 12.842 1.548 11.150 1.00 0.00 H new ATOM 0 HH21 ARG A 117 12.819 1.962 7.654 1.00 0.00 H new ATOM 0 HH22 ARG A 117 13.391 2.594 9.201 1.00 0.00 H new ATOM 1686 N THR A 118 7.737 2.103 6.456 1.00 0.00 N ATOM 1687 CA THR A 118 7.303 2.892 5.321 1.00 0.00 C ATOM 1688 C THR A 118 8.071 2.514 4.060 1.00 0.00 C ATOM 1689 O THR A 118 8.719 1.472 3.978 1.00 0.00 O ATOM 1690 CB THR A 118 7.454 4.383 5.662 1.00 0.00 C ATOM 1691 OG1 THR A 118 8.785 4.840 5.557 1.00 0.00 O ATOM 1692 CG2 THR A 118 7.036 4.737 7.048 1.00 0.00 C ATOM 0 H THR A 118 8.752 2.059 6.551 1.00 0.00 H new ATOM 0 HA THR A 118 6.253 2.685 5.114 1.00 0.00 H new ATOM 0 HB THR A 118 6.801 4.856 4.929 1.00 0.00 H new ATOM 0 HG1 THR A 118 8.822 5.793 5.783 1.00 0.00 H new ATOM 0 HG21 THR A 118 7.174 5.806 7.208 1.00 0.00 H new ATOM 0 HG22 THR A 118 5.986 4.482 7.188 1.00 0.00 H new ATOM 0 HG23 THR A 118 7.642 4.182 7.764 1.00 0.00 H new ATOM 1700 N GLY A 119 7.974 3.410 3.084 1.00 0.00 N ATOM 1701 CA GLY A 119 8.965 3.518 2.027 1.00 0.00 C ATOM 1702 C GLY A 119 8.331 3.986 0.735 1.00 0.00 C ATOM 1703 O GLY A 119 8.018 3.165 -0.118 1.00 0.00 O ATOM 0 H GLY A 119 7.208 4.079 3.006 1.00 0.00 H new ATOM 0 HA2 GLY A 119 9.747 4.216 2.326 1.00 0.00 H new ATOM 0 HA3 GLY A 119 9.444 2.551 1.872 1.00 0.00 H new ATOM 1707 N VAL A 120 8.142 5.291 0.541 1.00 0.00 N ATOM 1708 CA VAL A 120 7.811 5.801 -0.788 1.00 0.00 C ATOM 1709 C VAL A 120 9.080 6.320 -1.462 1.00 0.00 C ATOM 1710 O VAL A 120 10.024 6.792 -0.818 1.00 0.00 O ATOM 1711 CB VAL A 120 6.653 6.812 -0.743 1.00 0.00 C ATOM 1712 CG1 VAL A 120 6.931 7.950 0.238 1.00 0.00 C ATOM 1713 CG2 VAL A 120 6.325 7.345 -2.147 1.00 0.00 C ATOM 0 H VAL A 120 8.211 6.001 1.270 1.00 0.00 H new ATOM 0 HA VAL A 120 7.431 4.991 -1.410 1.00 0.00 H new ATOM 0 HB VAL A 120 5.773 6.283 -0.377 1.00 0.00 H new ATOM 0 HG11 VAL A 120 6.089 8.642 0.240 1.00 0.00 H new ATOM 0 HG12 VAL A 120 7.068 7.542 1.239 1.00 0.00 H new ATOM 0 HG13 VAL A 120 7.835 8.479 -0.065 1.00 0.00 H new ATOM 0 HG21 VAL A 120 5.503 8.057 -2.083 1.00 0.00 H new ATOM 0 HG22 VAL A 120 7.203 7.840 -2.562 1.00 0.00 H new ATOM 0 HG23 VAL A 120 6.037 6.516 -2.793 1.00 0.00 H new ATOM 1723 N GLN A 121 9.058 6.235 -2.785 1.00 0.00 N ATOM 1724 CA GLN A 121 10.077 6.614 -3.724 1.00 0.00 C ATOM 1725 C GLN A 121 9.337 7.451 -4.776 1.00 0.00 C ATOM 1726 O GLN A 121 8.332 7.002 -5.331 1.00 0.00 O ATOM 1727 CB GLN A 121 10.694 5.296 -4.212 1.00 0.00 C ATOM 1728 CG GLN A 121 11.604 5.389 -5.431 1.00 0.00 C ATOM 1729 CD GLN A 121 10.768 5.347 -6.696 1.00 0.00 C ATOM 1730 OE1 GLN A 121 10.532 6.361 -7.319 1.00 0.00 O ATOM 1731 NE2 GLN A 121 10.184 4.218 -7.024 1.00 0.00 N ATOM 0 H GLN A 121 8.239 5.860 -3.264 1.00 0.00 H new ATOM 0 HA GLN A 121 10.906 7.220 -3.357 1.00 0.00 H new ATOM 0 HB2 GLN A 121 11.264 4.860 -3.391 1.00 0.00 H new ATOM 0 HB3 GLN A 121 9.884 4.603 -4.441 1.00 0.00 H new ATOM 0 HG2 GLN A 121 12.182 6.312 -5.396 1.00 0.00 H new ATOM 0 HG3 GLN A 121 12.318 4.565 -5.428 1.00 0.00 H new ATOM 0 HE21 GLN A 121 10.385 3.368 -6.498 1.00 0.00 H new ATOM 0 HE22 GLN A 121 9.529 4.191 -7.805 1.00 0.00 H new ATOM 1740 N MET A 122 9.773 8.696 -4.974 1.00 0.00 N ATOM 1741 CA MET A 122 9.160 9.711 -5.825 1.00 0.00 C ATOM 1742 C MET A 122 10.086 10.048 -7.013 1.00 0.00 C ATOM 1743 O MET A 122 10.284 11.211 -7.378 1.00 0.00 O ATOM 1744 CB MET A 122 8.788 10.883 -4.899 1.00 0.00 C ATOM 1745 CG MET A 122 8.247 12.139 -5.597 1.00 0.00 C ATOM 1746 SD MET A 122 6.895 12.965 -4.731 1.00 0.00 S ATOM 1747 CE MET A 122 5.632 11.713 -5.058 1.00 0.00 C ATOM 0 H MET A 122 10.616 9.041 -4.515 1.00 0.00 H new ATOM 0 HA MET A 122 8.245 9.377 -6.313 1.00 0.00 H new ATOM 0 HB2 MET A 122 8.040 10.535 -4.186 1.00 0.00 H new ATOM 0 HB3 MET A 122 9.671 11.162 -4.324 1.00 0.00 H new ATOM 0 HG2 MET A 122 9.065 12.848 -5.724 1.00 0.00 H new ATOM 0 HG3 MET A 122 7.906 11.864 -6.595 1.00 0.00 H new ATOM 0 HE1 MET A 122 4.890 12.116 -5.748 1.00 0.00 H new ATOM 0 HE2 MET A 122 6.098 10.833 -5.500 1.00 0.00 H new ATOM 0 HE3 MET A 122 5.145 11.435 -4.123 1.00 0.00 H new ATOM 1757 N ARG A 123 10.689 9.028 -7.624 1.00 0.00 N ATOM 1758 CA ARG A 123 11.705 9.130 -8.666 1.00 0.00 C ATOM 1759 C ARG A 123 11.340 8.139 -9.783 1.00 0.00 C ATOM 1760 O ARG A 123 11.731 6.978 -9.734 1.00 0.00 O ATOM 1761 CB ARG A 123 13.068 8.832 -8.009 1.00 0.00 C ATOM 1762 CG ARG A 123 14.233 9.244 -8.912 1.00 0.00 C ATOM 1763 CD ARG A 123 14.756 10.637 -8.540 1.00 0.00 C ATOM 1764 NE ARG A 123 15.823 10.577 -7.522 1.00 0.00 N ATOM 1765 CZ ARG A 123 16.078 11.491 -6.578 1.00 0.00 C ATOM 1766 NH1 ARG A 123 15.196 12.442 -6.301 1.00 0.00 N ATOM 1767 NH2 ARG A 123 17.213 11.461 -5.894 1.00 0.00 N ATOM 0 H ARG A 123 10.469 8.059 -7.392 1.00 0.00 H new ATOM 0 HA ARG A 123 11.760 10.121 -9.117 1.00 0.00 H new ATOM 0 HB2 ARG A 123 13.138 9.363 -7.059 1.00 0.00 H new ATOM 0 HB3 ARG A 123 13.139 7.768 -7.785 1.00 0.00 H new ATOM 0 HG2 ARG A 123 15.039 8.515 -8.826 1.00 0.00 H new ATOM 0 HG3 ARG A 123 13.909 9.240 -9.953 1.00 0.00 H new ATOM 0 HD2 ARG A 123 15.136 11.131 -9.434 1.00 0.00 H new ATOM 0 HD3 ARG A 123 13.932 11.245 -8.165 1.00 0.00 H new ATOM 0 HE ARG A 123 16.427 9.756 -7.540 1.00 0.00 H new ATOM 0 HH11 ARG A 123 14.313 12.482 -6.809 1.00 0.00 H new ATOM 0 HH12 ARG A 123 15.401 13.133 -5.580 1.00 0.00 H new ATOM 0 HH21 ARG A 123 17.904 10.736 -6.085 1.00 0.00 H new ATOM 0 HH22 ARG A 123 17.395 12.163 -5.177 1.00 0.00 H new ATOM 1781 N ALA A 124 10.518 8.578 -10.739 1.00 0.00 N ATOM 1782 CA ALA A 124 9.763 7.747 -11.661 1.00 0.00 C ATOM 1783 C ALA A 124 10.620 6.649 -12.311 1.00 0.00 C ATOM 1784 O ALA A 124 11.703 6.967 -12.814 1.00 0.00 O ATOM 1785 CB ALA A 124 9.071 8.621 -12.714 1.00 0.00 C ATOM 0 H ALA A 124 10.358 9.573 -10.893 1.00 0.00 H new ATOM 0 HA ALA A 124 9.000 7.226 -11.082 1.00 0.00 H new ATOM 0 HB1 ALA A 124 8.508 7.988 -13.400 1.00 0.00 H new ATOM 0 HB2 ALA A 124 8.391 9.316 -12.221 1.00 0.00 H new ATOM 0 HB3 ALA A 124 9.821 9.182 -13.271 1.00 0.00 H new ATOM 1791 N PRO A 125 10.141 5.392 -12.368 1.00 0.00 N ATOM 1792 CA PRO A 125 8.814 4.936 -11.958 1.00 0.00 C ATOM 1793 C PRO A 125 8.640 4.885 -10.438 1.00 0.00 C ATOM 1794 O PRO A 125 9.393 4.233 -9.718 1.00 0.00 O ATOM 1795 CB PRO A 125 8.641 3.547 -12.580 1.00 0.00 C ATOM 1796 CG PRO A 125 10.074 3.040 -12.697 1.00 0.00 C ATOM 1797 CD PRO A 125 10.854 4.311 -13.018 1.00 0.00 C ATOM 0 HA PRO A 125 8.053 5.638 -12.300 1.00 0.00 H new ATOM 0 HB2 PRO A 125 8.033 2.896 -11.951 1.00 0.00 H new ATOM 0 HB3 PRO A 125 8.151 3.599 -13.552 1.00 0.00 H new ATOM 0 HG2 PRO A 125 10.417 2.577 -11.771 1.00 0.00 H new ATOM 0 HG3 PRO A 125 10.176 2.293 -13.484 1.00 0.00 H new ATOM 0 HD2 PRO A 125 11.878 4.243 -12.651 1.00 0.00 H new ATOM 0 HD3 PRO A 125 10.911 4.473 -14.094 1.00 0.00 H new ATOM 1805 N GLN A 126 7.637 5.612 -9.952 1.00 0.00 N ATOM 1806 CA GLN A 126 7.364 5.788 -8.539 1.00 0.00 C ATOM 1807 C GLN A 126 6.585 4.579 -8.045 1.00 0.00 C ATOM 1808 O GLN A 126 5.535 4.230 -8.592 1.00 0.00 O ATOM 1809 CB GLN A 126 6.572 7.072 -8.298 1.00 0.00 C ATOM 1810 CG GLN A 126 7.243 8.319 -8.891 1.00 0.00 C ATOM 1811 CD GLN A 126 6.569 9.622 -8.470 1.00 0.00 C ATOM 1812 OE1 GLN A 126 5.609 9.641 -7.707 1.00 0.00 O ATOM 1813 NE2 GLN A 126 7.061 10.752 -8.953 1.00 0.00 N ATOM 0 H GLN A 126 6.977 6.106 -10.552 1.00 0.00 H new ATOM 0 HA GLN A 126 8.302 5.873 -7.991 1.00 0.00 H new ATOM 0 HB2 GLN A 126 5.577 6.963 -8.729 1.00 0.00 H new ATOM 0 HB3 GLN A 126 6.441 7.214 -7.225 1.00 0.00 H new ATOM 0 HG2 GLN A 126 8.288 8.342 -8.583 1.00 0.00 H new ATOM 0 HG3 GLN A 126 7.232 8.247 -9.979 1.00 0.00 H new ATOM 0 HE21 GLN A 126 7.860 10.731 -9.587 1.00 0.00 H new ATOM 0 HE22 GLN A 126 6.642 11.644 -8.691 1.00 0.00 H new ATOM 1822 N GLN A 127 7.089 3.959 -6.988 1.00 0.00 N ATOM 1823 CA GLN A 127 6.479 2.802 -6.353 1.00 0.00 C ATOM 1824 C GLN A 127 6.668 2.954 -4.853 1.00 0.00 C ATOM 1825 O GLN A 127 7.658 3.533 -4.395 1.00 0.00 O ATOM 1826 CB GLN A 127 7.105 1.494 -6.864 1.00 0.00 C ATOM 1827 CG GLN A 127 6.666 1.138 -8.291 1.00 0.00 C ATOM 1828 CD GLN A 127 7.138 -0.249 -8.698 1.00 0.00 C ATOM 1829 OE1 GLN A 127 8.317 -0.560 -8.564 1.00 0.00 O ATOM 1830 NE2 GLN A 127 6.261 -1.149 -9.101 1.00 0.00 N ATOM 0 H GLN A 127 7.955 4.255 -6.538 1.00 0.00 H new ATOM 0 HA GLN A 127 5.418 2.752 -6.596 1.00 0.00 H new ATOM 0 HB2 GLN A 127 8.191 1.581 -6.835 1.00 0.00 H new ATOM 0 HB3 GLN A 127 6.833 0.680 -6.192 1.00 0.00 H new ATOM 0 HG2 GLN A 127 5.579 1.187 -8.360 1.00 0.00 H new ATOM 0 HG3 GLN A 127 7.063 1.876 -8.988 1.00 0.00 H new ATOM 0 HE21 GLN A 127 5.280 -0.891 -9.213 1.00 0.00 H new ATOM 0 HE22 GLN A 127 6.564 -2.102 -9.301 1.00 0.00 H new ATOM 1839 N MET A 128 5.725 2.430 -4.083 1.00 0.00 N ATOM 1840 CA MET A 128 5.636 2.654 -2.651 1.00 0.00 C ATOM 1841 C MET A 128 5.564 1.306 -1.956 1.00 0.00 C ATOM 1842 O MET A 128 4.885 0.389 -2.423 1.00 0.00 O ATOM 1843 CB MET A 128 4.423 3.537 -2.362 1.00 0.00 C ATOM 1844 CG MET A 128 4.167 3.780 -0.870 1.00 0.00 C ATOM 1845 SD MET A 128 2.799 4.924 -0.548 1.00 0.00 S ATOM 1846 CE MET A 128 1.478 3.957 -1.328 1.00 0.00 C ATOM 0 H MET A 128 4.987 1.826 -4.445 1.00 0.00 H new ATOM 0 HA MET A 128 6.513 3.176 -2.269 1.00 0.00 H new ATOM 0 HB2 MET A 128 4.560 4.498 -2.857 1.00 0.00 H new ATOM 0 HB3 MET A 128 3.538 3.076 -2.801 1.00 0.00 H new ATOM 0 HG2 MET A 128 3.955 2.827 -0.386 1.00 0.00 H new ATOM 0 HG3 MET A 128 5.075 4.174 -0.413 1.00 0.00 H new ATOM 0 HE1 MET A 128 0.548 4.525 -1.302 1.00 0.00 H new ATOM 0 HE2 MET A 128 1.745 3.745 -2.363 1.00 0.00 H new ATOM 0 HE3 MET A 128 1.346 3.019 -0.788 1.00 0.00 H new ATOM 1856 N GLN A 129 6.233 1.213 -0.814 1.00 0.00 N ATOM 1857 CA GLN A 129 6.171 0.109 0.107 1.00 0.00 C ATOM 1858 C GLN A 129 5.503 0.635 1.367 1.00 0.00 C ATOM 1859 O GLN A 129 5.594 1.814 1.732 1.00 0.00 O ATOM 1860 CB GLN A 129 7.586 -0.447 0.384 1.00 0.00 C ATOM 1861 CG GLN A 129 7.792 -1.765 -0.374 1.00 0.00 C ATOM 1862 CD GLN A 129 9.195 -2.365 -0.274 1.00 0.00 C ATOM 1863 OE1 GLN A 129 9.994 -2.045 0.602 1.00 0.00 O ATOM 1864 NE2 GLN A 129 9.516 -3.286 -1.164 1.00 0.00 N ATOM 0 H GLN A 129 6.864 1.950 -0.498 1.00 0.00 H new ATOM 0 HA GLN A 129 5.597 -0.724 -0.300 1.00 0.00 H new ATOM 0 HB2 GLN A 129 8.338 0.280 0.076 1.00 0.00 H new ATOM 0 HB3 GLN A 129 7.719 -0.609 1.454 1.00 0.00 H new ATOM 0 HG2 GLN A 129 7.075 -2.496 -0.000 1.00 0.00 H new ATOM 0 HG3 GLN A 129 7.560 -1.600 -1.426 1.00 0.00 H new ATOM 0 HE21 GLN A 129 8.849 -3.548 -1.890 1.00 0.00 H new ATOM 0 HE22 GLN A 129 10.431 -3.735 -1.126 1.00 0.00 H new ATOM 1873 N LEU A 130 4.816 -0.270 2.038 1.00 0.00 N ATOM 1874 CA LEU A 130 4.501 -0.254 3.445 1.00 0.00 C ATOM 1875 C LEU A 130 4.967 -1.601 3.986 1.00 0.00 C ATOM 1876 O LEU A 130 5.083 -2.586 3.249 1.00 0.00 O ATOM 1877 CB LEU A 130 3.070 0.179 3.852 1.00 0.00 C ATOM 1878 CG LEU A 130 2.036 0.280 2.742 1.00 0.00 C ATOM 1879 CD1 LEU A 130 2.073 -1.067 2.084 1.00 0.00 C ATOM 1880 CD2 LEU A 130 0.637 0.620 3.241 1.00 0.00 C ATOM 0 H LEU A 130 4.437 -1.096 1.574 1.00 0.00 H new ATOM 0 HA LEU A 130 5.034 0.567 3.923 1.00 0.00 H new ATOM 0 HB2 LEU A 130 2.701 -0.528 4.595 1.00 0.00 H new ATOM 0 HB3 LEU A 130 3.137 1.150 4.342 1.00 0.00 H new ATOM 0 HG LEU A 130 2.271 1.097 2.060 1.00 0.00 H new ATOM 0 HD11 LEU A 130 1.355 -1.091 1.264 1.00 0.00 H new ATOM 0 HD12 LEU A 130 3.074 -1.255 1.695 1.00 0.00 H new ATOM 0 HD13 LEU A 130 1.817 -1.835 2.813 1.00 0.00 H new ATOM 0 HD21 LEU A 130 -0.048 0.676 2.395 1.00 0.00 H new ATOM 0 HD22 LEU A 130 0.299 -0.153 3.931 1.00 0.00 H new ATOM 0 HD23 LEU A 130 0.658 1.581 3.755 1.00 0.00 H new ATOM 1892 N VAL A 131 5.289 -1.597 5.264 1.00 0.00 N ATOM 1893 CA VAL A 131 5.833 -2.701 6.027 1.00 0.00 C ATOM 1894 C VAL A 131 5.147 -2.569 7.373 1.00 0.00 C ATOM 1895 O VAL A 131 5.166 -1.493 7.983 1.00 0.00 O ATOM 1896 CB VAL A 131 7.372 -2.606 6.115 1.00 0.00 C ATOM 1897 CG1 VAL A 131 7.972 -3.515 7.205 1.00 0.00 C ATOM 1898 CG2 VAL A 131 8.053 -2.942 4.784 1.00 0.00 C ATOM 0 H VAL A 131 5.168 -0.762 5.837 1.00 0.00 H new ATOM 0 HA VAL A 131 5.652 -3.678 5.579 1.00 0.00 H new ATOM 0 HB VAL A 131 7.566 -1.566 6.376 1.00 0.00 H new ATOM 0 HG11 VAL A 131 9.056 -3.403 7.216 1.00 0.00 H new ATOM 0 HG12 VAL A 131 7.568 -3.233 8.177 1.00 0.00 H new ATOM 0 HG13 VAL A 131 7.717 -4.553 6.994 1.00 0.00 H new ATOM 0 HG21 VAL A 131 9.134 -2.861 4.898 1.00 0.00 H new ATOM 0 HG22 VAL A 131 7.794 -3.959 4.490 1.00 0.00 H new ATOM 0 HG23 VAL A 131 7.716 -2.245 4.017 1.00 0.00 H new ATOM 1908 N LEU A 132 4.458 -3.627 7.786 1.00 0.00 N ATOM 1909 CA LEU A 132 3.705 -3.567 9.025 1.00 0.00 C ATOM 1910 C LEU A 132 4.647 -3.630 10.214 1.00 0.00 C ATOM 1911 O LEU A 132 5.807 -4.037 10.111 1.00 0.00 O ATOM 1912 CB LEU A 132 2.667 -4.696 9.117 1.00 0.00 C ATOM 1913 CG LEU A 132 1.653 -4.703 7.968 1.00 0.00 C ATOM 1914 CD1 LEU A 132 0.582 -5.756 8.272 1.00 0.00 C ATOM 1915 CD2 LEU A 132 1.038 -3.327 7.690 1.00 0.00 C ATOM 0 H LEU A 132 4.407 -4.517 7.291 1.00 0.00 H new ATOM 0 HA LEU A 132 3.167 -2.619 9.038 1.00 0.00 H new ATOM 0 HB2 LEU A 132 3.187 -5.654 9.135 1.00 0.00 H new ATOM 0 HB3 LEU A 132 2.130 -4.607 10.062 1.00 0.00 H new ATOM 0 HG LEU A 132 2.179 -4.961 7.049 1.00 0.00 H new ATOM 0 HD11 LEU A 132 -0.149 -5.775 7.464 1.00 0.00 H new ATOM 0 HD12 LEU A 132 1.050 -6.736 8.361 1.00 0.00 H new ATOM 0 HD13 LEU A 132 0.082 -5.507 9.208 1.00 0.00 H new ATOM 0 HD21 LEU A 132 0.330 -3.405 6.865 1.00 0.00 H new ATOM 0 HD22 LEU A 132 0.520 -2.973 8.581 1.00 0.00 H new ATOM 0 HD23 LEU A 132 1.827 -2.623 7.426 1.00 0.00 H new ATOM 1927 N ASP A 133 4.079 -3.359 11.381 1.00 0.00 N ATOM 1928 CA ASP A 133 4.670 -3.659 12.674 1.00 0.00 C ATOM 1929 C ASP A 133 5.113 -5.120 12.796 1.00 0.00 C ATOM 1930 O ASP A 133 6.087 -5.374 13.506 1.00 0.00 O ATOM 1931 CB ASP A 133 3.703 -3.287 13.808 1.00 0.00 C ATOM 1932 CG ASP A 133 2.393 -4.076 13.856 1.00 0.00 C ATOM 1933 OD1 ASP A 133 1.985 -4.706 12.856 1.00 0.00 O ATOM 1934 OD2 ASP A 133 1.695 -3.945 14.887 1.00 0.00 O ATOM 0 H ASP A 133 3.166 -2.910 11.454 1.00 0.00 H new ATOM 0 HA ASP A 133 5.570 -3.050 12.761 1.00 0.00 H new ATOM 0 HB2 ASP A 133 4.220 -3.421 14.758 1.00 0.00 H new ATOM 0 HB3 ASP A 133 3.463 -2.227 13.722 1.00 0.00 H new ATOM 1939 N ASN A 134 4.505 -6.066 12.071 1.00 0.00 N ATOM 1940 CA ASN A 134 4.874 -7.479 12.098 1.00 0.00 C ATOM 1941 C ASN A 134 5.821 -7.866 10.956 1.00 0.00 C ATOM 1942 O ASN A 134 6.264 -9.015 10.930 1.00 0.00 O ATOM 1943 CB ASN A 134 3.632 -8.388 12.153 1.00 0.00 C ATOM 1944 CG ASN A 134 3.219 -8.971 10.807 1.00 0.00 C ATOM 1945 OD1 ASN A 134 2.947 -8.251 9.852 1.00 0.00 O ATOM 1946 ND2 ASN A 134 3.108 -10.285 10.697 1.00 0.00 N ATOM 0 H ASN A 134 3.730 -5.864 11.439 1.00 0.00 H new ATOM 0 HA ASN A 134 5.433 -7.637 13.020 1.00 0.00 H new ATOM 0 HB2 ASN A 134 3.826 -9.207 12.846 1.00 0.00 H new ATOM 0 HB3 ASN A 134 2.797 -7.818 12.560 1.00 0.00 H new ATOM 0 HD21 ASN A 134 2.796 -10.699 9.818 1.00 0.00 H new ATOM 0 HD22 ASN A 134 3.334 -10.884 11.491 1.00 0.00 H new ATOM 1953 N GLY A 135 6.166 -6.944 10.049 1.00 0.00 N ATOM 1954 CA GLY A 135 7.266 -7.132 9.109 1.00 0.00 C ATOM 1955 C GLY A 135 6.850 -7.689 7.748 1.00 0.00 C ATOM 1956 O GLY A 135 7.683 -8.194 6.991 1.00 0.00 O ATOM 0 H GLY A 135 5.688 -6.049 9.950 1.00 0.00 H new ATOM 0 HA2 GLY A 135 7.766 -6.175 8.958 1.00 0.00 H new ATOM 0 HA3 GLY A 135 7.997 -7.806 9.555 1.00 0.00 H new ATOM 1960 N ASP A 136 5.558 -7.641 7.423 1.00 0.00 N ATOM 1961 CA ASP A 136 5.061 -7.965 6.088 1.00 0.00 C ATOM 1962 C ASP A 136 5.551 -6.884 5.096 1.00 0.00 C ATOM 1963 O ASP A 136 6.214 -5.931 5.505 1.00 0.00 O ATOM 1964 CB ASP A 136 3.540 -8.214 6.203 1.00 0.00 C ATOM 1965 CG ASP A 136 2.559 -7.294 5.482 1.00 0.00 C ATOM 1966 OD1 ASP A 136 2.886 -6.153 5.099 1.00 0.00 O ATOM 1967 OD2 ASP A 136 1.396 -7.745 5.365 1.00 0.00 O ATOM 0 H ASP A 136 4.825 -7.375 8.081 1.00 0.00 H new ATOM 0 HA ASP A 136 5.459 -8.888 5.666 1.00 0.00 H new ATOM 0 HB2 ASP A 136 3.350 -9.228 5.852 1.00 0.00 H new ATOM 0 HB3 ASP A 136 3.287 -8.191 7.263 1.00 0.00 H new ATOM 1972 N THR A 137 5.363 -7.028 3.781 1.00 0.00 N ATOM 1973 CA THR A 137 5.811 -6.029 2.814 1.00 0.00 C ATOM 1974 C THR A 137 4.847 -5.979 1.634 1.00 0.00 C ATOM 1975 O THR A 137 4.710 -6.955 0.892 1.00 0.00 O ATOM 1976 CB THR A 137 7.242 -6.355 2.360 1.00 0.00 C ATOM 1977 OG1 THR A 137 8.086 -6.569 3.479 1.00 0.00 O ATOM 1978 CG2 THR A 137 7.842 -5.220 1.535 1.00 0.00 C ATOM 0 H THR A 137 4.900 -7.834 3.362 1.00 0.00 H new ATOM 0 HA THR A 137 5.820 -5.043 3.279 1.00 0.00 H new ATOM 0 HB THR A 137 7.178 -7.257 1.751 1.00 0.00 H new ATOM 0 HG1 THR A 137 8.993 -6.777 3.170 1.00 0.00 H new ATOM 0 HG21 THR A 137 8.854 -5.486 1.232 1.00 0.00 H new ATOM 0 HG22 THR A 137 7.230 -5.052 0.649 1.00 0.00 H new ATOM 0 HG23 THR A 137 7.870 -4.310 2.134 1.00 0.00 H new ATOM 1986 N LEU A 138 4.186 -4.844 1.438 1.00 0.00 N ATOM 1987 CA LEU A 138 3.230 -4.617 0.361 1.00 0.00 C ATOM 1988 C LEU A 138 3.856 -3.734 -0.706 1.00 0.00 C ATOM 1989 O LEU A 138 4.809 -3.008 -0.434 1.00 0.00 O ATOM 1990 CB LEU A 138 2.000 -3.941 0.962 1.00 0.00 C ATOM 1991 CG LEU A 138 0.824 -4.841 1.299 1.00 0.00 C ATOM 1992 CD1 LEU A 138 -0.252 -4.833 0.238 1.00 0.00 C ATOM 1993 CD2 LEU A 138 1.265 -6.075 2.073 1.00 0.00 C ATOM 0 H LEU A 138 4.304 -4.031 2.043 1.00 0.00 H new ATOM 0 HA LEU A 138 2.945 -5.560 -0.106 1.00 0.00 H new ATOM 0 HB2 LEU A 138 2.306 -3.425 1.872 1.00 0.00 H new ATOM 0 HB3 LEU A 138 1.656 -3.178 0.264 1.00 0.00 H new ATOM 0 HG LEU A 138 0.168 -4.444 2.073 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -1.064 -5.495 0.538 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -0.636 -3.820 0.117 1.00 0.00 H new ATOM 0 HD13 LEU A 138 0.167 -5.178 -0.707 1.00 0.00 H new ATOM 0 HD21 LEU A 138 0.396 -6.694 2.296 1.00 0.00 H new ATOM 0 HD22 LEU A 138 1.974 -6.646 1.474 1.00 0.00 H new ATOM 0 HD23 LEU A 138 1.741 -5.769 3.005 1.00 0.00 H new ATOM 2005 N THR A 139 3.274 -3.757 -1.898 1.00 0.00 N ATOM 2006 CA THR A 139 3.801 -3.053 -3.064 1.00 0.00 C ATOM 2007 C THR A 139 2.680 -2.328 -3.790 1.00 0.00 C ATOM 2008 O THR A 139 1.734 -2.968 -4.261 1.00 0.00 O ATOM 2009 CB THR A 139 4.511 -4.023 -4.029 1.00 0.00 C ATOM 2010 OG1 THR A 139 5.652 -4.580 -3.415 1.00 0.00 O ATOM 2011 CG2 THR A 139 4.976 -3.319 -5.314 1.00 0.00 C ATOM 0 H THR A 139 2.413 -4.270 -2.086 1.00 0.00 H new ATOM 0 HA THR A 139 4.533 -2.325 -2.714 1.00 0.00 H new ATOM 0 HB THR A 139 3.785 -4.796 -4.281 1.00 0.00 H new ATOM 0 HG1 THR A 139 6.092 -5.195 -4.039 1.00 0.00 H new ATOM 0 HG21 THR A 139 5.471 -4.040 -5.965 1.00 0.00 H new ATOM 0 HG22 THR A 139 4.114 -2.896 -5.830 1.00 0.00 H new ATOM 0 HG23 THR A 139 5.674 -2.521 -5.060 1.00 0.00 H new ATOM 2019 N PHE A 140 2.846 -1.015 -3.949 1.00 0.00 N ATOM 2020 CA PHE A 140 2.056 -0.207 -4.861 1.00 0.00 C ATOM 2021 C PHE A 140 2.890 0.290 -6.032 1.00 0.00 C ATOM 2022 O PHE A 140 4.065 0.634 -5.866 1.00 0.00 O ATOM 2023 CB PHE A 140 1.545 1.053 -4.174 1.00 0.00 C ATOM 2024 CG PHE A 140 0.678 0.862 -2.961 1.00 0.00 C ATOM 2025 CD1 PHE A 140 1.268 0.607 -1.709 1.00 0.00 C ATOM 2026 CD2 PHE A 140 -0.714 1.027 -3.071 1.00 0.00 C ATOM 2027 CE1 PHE A 140 0.461 0.520 -0.566 1.00 0.00 C ATOM 2028 CE2 PHE A 140 -1.521 0.880 -1.939 1.00 0.00 C ATOM 2029 CZ PHE A 140 -0.935 0.608 -0.693 1.00 0.00 C ATOM 0 H PHE A 140 3.547 -0.480 -3.436 1.00 0.00 H new ATOM 0 HA PHE A 140 1.241 -0.850 -5.194 1.00 0.00 H new ATOM 0 HB2 PHE A 140 2.407 1.654 -3.884 1.00 0.00 H new ATOM 0 HB3 PHE A 140 0.982 1.634 -4.905 1.00 0.00 H new ATOM 0 HD1 PHE A 140 2.337 0.479 -1.629 1.00 0.00 H new ATOM 0 HD2 PHE A 140 -1.158 1.266 -4.026 1.00 0.00 H new ATOM 0 HE1 PHE A 140 0.910 0.386 0.407 1.00 0.00 H new ATOM 0 HE2 PHE A 140 -2.593 0.976 -2.023 1.00 0.00 H new ATOM 0 HZ PHE A 140 -1.562 0.465 0.175 1.00 0.00 H new ATOM 2039 N ASP A 141 2.215 0.501 -7.155 1.00 0.00 N ATOM 2040 CA ASP A 141 2.605 1.440 -8.195 1.00 0.00 C ATOM 2041 C ASP A 141 1.926 2.770 -7.928 1.00 0.00 C ATOM 2042 O ASP A 141 0.836 2.811 -7.358 1.00 0.00 O ATOM 2043 CB ASP A 141 2.219 0.899 -9.576 1.00 0.00 C ATOM 2044 CG ASP A 141 3.408 0.125 -10.142 1.00 0.00 C ATOM 2045 OD1 ASP A 141 3.537 -1.081 -9.842 1.00 0.00 O ATOM 2046 OD2 ASP A 141 4.295 0.742 -10.772 1.00 0.00 O ATOM 0 H ASP A 141 1.351 0.005 -7.373 1.00 0.00 H new ATOM 0 HA ASP A 141 3.686 1.576 -8.184 1.00 0.00 H new ATOM 0 HB2 ASP A 141 1.347 0.250 -9.498 1.00 0.00 H new ATOM 0 HB3 ASP A 141 1.949 1.718 -10.242 1.00 0.00 H new ATOM 2051 N ARG A 142 2.550 3.876 -8.332 1.00 0.00 N ATOM 2052 CA ARG A 142 1.884 5.173 -8.423 1.00 0.00 C ATOM 2053 C ARG A 142 0.870 5.094 -9.566 1.00 0.00 C ATOM 2054 O ARG A 142 1.168 4.479 -10.590 1.00 0.00 O ATOM 2055 CB ARG A 142 2.975 6.227 -8.677 1.00 0.00 C ATOM 2056 CG ARG A 142 2.504 7.680 -8.810 1.00 0.00 C ATOM 2057 CD ARG A 142 2.227 8.352 -7.459 1.00 0.00 C ATOM 2058 NE ARG A 142 1.472 9.600 -7.653 1.00 0.00 N ATOM 2059 CZ ARG A 142 1.967 10.766 -8.081 1.00 0.00 C ATOM 2060 NH1 ARG A 142 3.267 10.972 -8.221 1.00 0.00 N ATOM 2061 NH2 ARG A 142 1.118 11.727 -8.400 1.00 0.00 N ATOM 0 H ARG A 142 3.532 3.897 -8.605 1.00 0.00 H new ATOM 0 HA ARG A 142 1.347 5.445 -7.514 1.00 0.00 H new ATOM 0 HB2 ARG A 142 3.696 6.175 -7.861 1.00 0.00 H new ATOM 0 HB3 ARG A 142 3.506 5.955 -9.589 1.00 0.00 H new ATOM 0 HG2 ARG A 142 3.261 8.253 -9.345 1.00 0.00 H new ATOM 0 HG3 ARG A 142 1.597 7.707 -9.415 1.00 0.00 H new ATOM 0 HD2 ARG A 142 1.664 7.675 -6.817 1.00 0.00 H new ATOM 0 HD3 ARG A 142 3.168 8.564 -6.951 1.00 0.00 H new ATOM 0 HE ARG A 142 0.475 9.573 -7.440 1.00 0.00 H new ATOM 0 HH11 ARG A 142 3.928 10.227 -8.000 1.00 0.00 H new ATOM 0 HH12 ARG A 142 3.608 11.875 -8.550 1.00 0.00 H new ATOM 0 HH21 ARG A 142 0.114 11.569 -8.317 1.00 0.00 H new ATOM 0 HH22 ARG A 142 1.467 12.627 -8.729 1.00 0.00 H new ATOM 2075 N SER A 143 -0.288 5.748 -9.436 1.00 0.00 N ATOM 2076 CA SER A 143 -1.214 5.914 -10.547 1.00 0.00 C ATOM 2077 C SER A 143 -1.631 7.376 -10.603 1.00 0.00 C ATOM 2078 O SER A 143 -2.675 7.765 -10.071 1.00 0.00 O ATOM 2079 CB SER A 143 -2.377 4.942 -10.387 1.00 0.00 C ATOM 2080 OG SER A 143 -3.305 5.012 -11.456 1.00 0.00 O ATOM 0 H SER A 143 -0.603 6.172 -8.563 1.00 0.00 H new ATOM 0 HA SER A 143 -0.752 5.673 -11.504 1.00 0.00 H new ATOM 0 HB2 SER A 143 -1.988 3.926 -10.316 1.00 0.00 H new ATOM 0 HB3 SER A 143 -2.893 5.152 -9.450 1.00 0.00 H new ATOM 0 HG SER A 143 -4.028 4.368 -11.304 1.00 0.00 H new ATOM 2086 N THR A 144 -0.829 8.186 -11.283 1.00 0.00 N ATOM 2087 CA THR A 144 -1.170 9.553 -11.686 1.00 0.00 C ATOM 2088 C THR A 144 -2.067 9.543 -12.942 1.00 0.00 C ATOM 2089 O THR A 144 -2.122 10.531 -13.675 1.00 0.00 O ATOM 2090 CB THR A 144 0.111 10.398 -11.863 1.00 0.00 C ATOM 2091 OG1 THR A 144 1.099 9.985 -10.936 1.00 0.00 O ATOM 2092 CG2 THR A 144 -0.140 11.881 -11.579 1.00 0.00 C ATOM 0 H THR A 144 0.106 7.905 -11.580 1.00 0.00 H new ATOM 0 HA THR A 144 -1.752 10.028 -10.896 1.00 0.00 H new ATOM 0 HB THR A 144 0.431 10.257 -12.895 1.00 0.00 H new ATOM 0 HG1 THR A 144 1.908 10.525 -11.057 1.00 0.00 H new ATOM 0 HG21 THR A 144 0.786 12.439 -11.715 1.00 0.00 H new ATOM 0 HG22 THR A 144 -0.896 12.260 -12.266 1.00 0.00 H new ATOM 0 HG23 THR A 144 -0.489 12.001 -10.553 1.00 0.00 H new ATOM 2100 N ARG A 145 -2.814 8.448 -13.154 1.00 0.00 N ATOM 2101 CA ARG A 145 -3.609 8.137 -14.318 1.00 0.00 C ATOM 2102 C ARG A 145 -2.746 8.137 -15.570 1.00 0.00 C ATOM 2103 O ARG A 145 -3.272 8.325 -16.685 1.00 0.00 O ATOM 2104 CB ARG A 145 -4.831 9.055 -14.302 1.00 0.00 C ATOM 2105 CG ARG A 145 -5.869 8.565 -13.290 1.00 0.00 C ATOM 2106 CD ARG A 145 -6.906 9.654 -13.031 1.00 0.00 C ATOM 2107 NE ARG A 145 -8.111 9.101 -12.396 1.00 0.00 N ATOM 2108 CZ ARG A 145 -9.143 9.813 -11.938 1.00 0.00 C ATOM 2109 NH1 ARG A 145 -9.051 11.133 -11.831 1.00 0.00 N ATOM 2110 NH2 ARG A 145 -10.255 9.188 -11.569 1.00 0.00 N ATOM 0 H ARG A 145 -2.872 7.710 -12.452 1.00 0.00 H new ATOM 0 HA ARG A 145 -4.006 7.122 -14.310 1.00 0.00 H new ATOM 0 HB2 ARG A 145 -4.525 10.071 -14.052 1.00 0.00 H new ATOM 0 HB3 ARG A 145 -5.276 9.092 -15.296 1.00 0.00 H new ATOM 0 HG2 ARG A 145 -6.360 7.667 -13.667 1.00 0.00 H new ATOM 0 HG3 ARG A 145 -5.377 8.292 -12.357 1.00 0.00 H new ATOM 0 HD2 ARG A 145 -6.476 10.425 -12.391 1.00 0.00 H new ATOM 0 HD3 ARG A 145 -7.175 10.134 -13.972 1.00 0.00 H new ATOM 0 HE ARG A 145 -8.163 8.087 -12.297 1.00 0.00 H new ATOM 0 HH11 ARG A 145 -8.189 11.608 -12.099 1.00 0.00 H new ATOM 0 HH12 ARG A 145 -9.842 11.673 -11.480 1.00 0.00 H new ATOM 0 HH21 ARG A 145 -10.315 8.172 -11.637 1.00 0.00 H new ATOM 0 HH22 ARG A 145 -11.049 9.724 -11.218 1.00 0.00 H new TER 2124 ARG A 145