USER MOD reduce.3.24.130724 H: found=0, std=0, add=1326, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1324 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 139 TYR OH : rot -90:sc= 0.896 USER MOD Set 1.2: A 148 GLN : amide:sc= -4.73! C(o=-3.8!,f=-12!) USER MOD Set 2.1: A 49 TYR OH : rot 165:sc= 0 USER MOD Set 2.2: A 58 MET CE :methyl 172:sc= -0.535 (180deg=-0.769) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot -102:sc= -2.52! USER MOD Single : A 14 ASN : amide:sc= -0.631 X(o=-0.63,f=-0.69) USER MOD Single : A 16 GLN : amide:sc= -0.758 X(o=-0.76,f=-0.31) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot -95:sc= 0.68 USER MOD Single : A 24 CYS SG : rot -77:sc= 0.591 USER MOD Single : A 26 CYS SG : rot 160:sc= -0.828 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 48:sc= -2.03 USER MOD Single : A 37 ASN : amide:sc= -3.62! K(o=-3.6!,f=-0.63) USER MOD Single : A 38 SER OG : rot 63:sc= 0.429 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.274 USER MOD Single : A 53 ASN : amide:sc= -1.17 K(o=-1.2,f=-0.65) USER MOD Single : A 55 SER OG : rot 180:sc= -0.21 USER MOD Single : A 57 HIS : no HD1:sc= -0.28 X(o=-0.28,f=-0.14) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -17.9! C(o=-18!,f=-7.7!) USER MOD Single : A 66 TYR OH : rot 180:sc=-0.00755 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -4.49! C(o=-4.5!,f=-7.8!) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -13.8! C(o=-14!,f=-6.3!) USER MOD Single : A 81 SER OG : rot -158:sc= 0.782 USER MOD Single : A 82 CYS SG : rot -174:sc= -1.18 USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc=-0.00312 USER MOD Single : A 92 GLN : amide:sc= -0.0582 X(o=-0.058,f=-0.36) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -9.55! C(o=-9.6!,f=-13!) USER MOD Single : A 100 LYS NZ :NH3+ -165:sc=-0.00504 (180deg=-0.156) USER MOD Single : A 104 ASN : amide:sc= -1.75! C(o=-1.7!,f=-3.8!) USER MOD Single : A 106 GLN : amide:sc= -0.951 K(o=-0.95,f=-0.26) USER MOD Single : A 107 MET CE :methyl 150:sc= 0 (180deg=-1.96) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 64:sc= 1.25 USER MOD Single : A 111 THR OG1 : rot 66:sc= -0.174 USER MOD Single : A 114 CYS SG : rot 104:sc= -1.36! USER MOD Single : A 116 SER OG : rot 180:sc= 0.0895 USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN : amide:sc= -0.109 X(o=-0.11,f=-0.13) USER MOD Single : A 122 HIS : no HD1:sc= -0.944 K(o=-0.94,f=-1.9!) USER MOD Single : A 127 HIS : no HD1:sc= -0.631 K(o=-0.63,f=-0.036) USER MOD Single : A 128 SER OG : rot 1:sc= -1.49! USER MOD Single : A 129 CYS SG : rot 38:sc= -1.39 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 ASN : amide:sc= -0.676 X(o=-0.68,f=-0.62) USER MOD Single : A 144 TYR OH : rot 180:sc= 0 USER MOD Single : A 149 TYR OH : rot 0:sc= 0 USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 LYS NZ :NH3+ 131:sc= -0.177 (180deg=-1.05) USER MOD Single : A 156 TYR OH : rot 180:sc= 0.505 USER MOD Single : A 158 LYS NZ :NH3+ 149:sc= -0.124 (180deg=-0.913) USER MOD Single : A 166 SER OG : rot 180:sc= 0 USER MOD Single : A 170 GLN : amide:sc= -7.28! C(o=-7.3!,f=-8.9!) USER MOD Single : A 171 SER OG : rot -136:sc= -1 USER MOD ----------------------------------------------------------------- ATOM 50 N GLY A 4 -15.496 -11.970 0.815 1.00 0.52 N ATOM 51 CA GLY A 4 -15.923 -11.293 2.075 1.00 0.30 C ATOM 52 C GLY A 4 -14.641 -11.078 2.881 1.00 0.41 C ATOM 53 O GLY A 4 -14.170 -11.951 3.581 1.00 0.81 O ATOM 0 HA2 GLY A 4 -16.416 -10.344 1.863 1.00 0.30 H new ATOM 0 HA3 GLY A 4 -16.635 -11.906 2.627 1.00 0.30 H new ATOM 57 N GLY A 5 -14.063 -9.915 2.746 1.00 0.01 N ATOM 58 CA GLY A 5 -12.790 -9.620 3.458 1.00 0.01 C ATOM 59 C GLY A 5 -13.042 -9.306 4.933 1.00 0.01 C ATOM 60 O GLY A 5 -14.046 -8.729 5.300 1.00 0.01 O ATOM 0 H GLY A 5 -14.421 -9.154 2.170 1.00 0.01 H new ATOM 0 HA2 GLY A 5 -12.117 -10.474 3.375 1.00 0.01 H new ATOM 0 HA3 GLY A 5 -12.292 -8.775 2.983 1.00 0.01 H new ATOM 64 N LYS A 6 -12.119 -9.679 5.774 1.00 0.00 N ATOM 65 CA LYS A 6 -12.258 -9.413 7.233 1.00 0.01 C ATOM 66 C LYS A 6 -10.866 -9.297 7.847 1.00 0.01 C ATOM 67 O LYS A 6 -9.976 -10.080 7.547 1.00 0.00 O ATOM 68 CB LYS A 6 -13.023 -10.549 7.913 1.00 0.02 C ATOM 69 CG LYS A 6 -13.425 -10.122 9.329 1.00 0.02 C ATOM 70 CD LYS A 6 -13.815 -11.358 10.149 1.00 0.02 C ATOM 71 CE LYS A 6 -14.898 -12.146 9.408 1.00 0.02 C ATOM 72 NZ LYS A 6 -15.535 -13.114 10.346 1.00 0.02 N ATOM 0 H LYS A 6 -11.262 -10.164 5.509 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.812 -8.486 7.378 1.00 0.01 H new ATOM 0 HB2 LYS A 6 -13.910 -10.802 7.333 1.00 0.02 H new ATOM 0 HB3 LYS A 6 -12.403 -11.445 7.954 1.00 0.02 H new ATOM 0 HG2 LYS A 6 -12.598 -9.600 9.811 1.00 0.02 H new ATOM 0 HG3 LYS A 6 -14.261 -9.424 9.285 1.00 0.02 H new ATOM 0 HD2 LYS A 6 -12.941 -11.988 10.313 1.00 0.02 H new ATOM 0 HD3 LYS A 6 -14.179 -11.055 11.131 1.00 0.02 H new ATOM 0 HE2 LYS A 6 -15.648 -11.465 9.006 1.00 0.02 H new ATOM 0 HE3 LYS A 6 -14.462 -12.676 8.561 1.00 0.02 H new ATOM 0 HZ1 LYS A 6 -16.271 -13.650 9.844 1.00 0.02 H new ATOM 0 HZ2 LYS A 6 -14.815 -13.771 10.709 1.00 0.02 H new ATOM 0 HZ3 LYS A 6 -15.964 -12.597 11.140 1.00 0.02 H new ATOM 86 N ILE A 7 -10.685 -8.331 8.716 1.00 0.02 N ATOM 87 CA ILE A 7 -9.365 -8.129 9.394 1.00 0.00 C ATOM 88 C ILE A 7 -9.594 -8.016 10.904 1.00 0.02 C ATOM 89 O ILE A 7 -10.540 -7.396 11.352 1.00 0.01 O ATOM 90 CB ILE A 7 -8.692 -6.871 8.839 1.00 0.02 C ATOM 91 CG1 ILE A 7 -7.475 -6.509 9.696 1.00 0.02 C ATOM 92 CG2 ILE A 7 -9.681 -5.710 8.847 1.00 0.01 C ATOM 93 CD1 ILE A 7 -6.615 -5.481 8.956 1.00 0.02 C ATOM 0 H ILE A 7 -11.407 -7.664 8.988 1.00 0.02 H new ATOM 0 HA ILE A 7 -8.706 -8.976 9.204 1.00 0.00 H new ATOM 0 HB ILE A 7 -8.368 -7.065 7.816 1.00 0.02 H new ATOM 0 HG12 ILE A 7 -7.800 -6.104 10.655 1.00 0.02 H new ATOM 0 HG13 ILE A 7 -6.889 -7.403 9.909 1.00 0.02 H new ATOM 0 HG21 ILE A 7 -9.197 -4.817 8.451 1.00 0.01 H new ATOM 0 HG22 ILE A 7 -10.542 -5.961 8.227 1.00 0.01 H new ATOM 0 HG23 ILE A 7 -10.012 -5.521 9.868 1.00 0.01 H new ATOM 0 HD11 ILE A 7 -5.749 -5.224 9.566 1.00 0.02 H new ATOM 0 HD12 ILE A 7 -6.279 -5.902 8.009 1.00 0.02 H new ATOM 0 HD13 ILE A 7 -7.204 -4.584 8.765 1.00 0.02 H new ATOM 105 N SER A 8 -8.722 -8.604 11.692 1.00 0.02 N ATOM 106 CA SER A 8 -8.862 -8.534 13.184 1.00 0.02 C ATOM 107 C SER A 8 -7.615 -7.885 13.788 1.00 0.01 C ATOM 108 O SER A 8 -6.502 -8.273 13.503 1.00 0.02 O ATOM 109 CB SER A 8 -9.041 -9.944 13.763 1.00 0.30 C ATOM 110 OG SER A 8 -9.818 -10.721 12.862 1.00 0.39 O ATOM 0 H SER A 8 -7.914 -9.133 11.363 1.00 0.02 H new ATOM 0 HA SER A 8 -9.739 -7.935 13.430 1.00 0.02 H new ATOM 0 HB2 SER A 8 -8.069 -10.412 13.921 1.00 0.30 H new ATOM 0 HB3 SER A 8 -9.532 -9.892 14.735 1.00 0.30 H new ATOM 0 HG SER A 8 -9.935 -11.624 13.225 1.00 0.39 H new ATOM 116 N PHE A 9 -7.807 -6.905 14.639 1.00 0.02 N ATOM 117 CA PHE A 9 -6.656 -6.214 15.301 1.00 0.01 C ATOM 118 C PHE A 9 -6.625 -6.609 16.779 1.00 0.01 C ATOM 119 O PHE A 9 -7.654 -6.695 17.417 1.00 0.02 O ATOM 120 CB PHE A 9 -6.849 -4.699 15.205 1.00 0.02 C ATOM 121 CG PHE A 9 -7.156 -4.298 13.783 1.00 0.01 C ATOM 122 CD1 PHE A 9 -8.454 -4.434 13.284 1.00 0.01 C ATOM 123 CD2 PHE A 9 -6.143 -3.776 12.968 1.00 0.01 C ATOM 124 CE1 PHE A 9 -8.745 -4.048 11.971 1.00 0.02 C ATOM 125 CE2 PHE A 9 -6.431 -3.392 11.652 1.00 0.02 C ATOM 126 CZ PHE A 9 -7.733 -3.528 11.154 1.00 0.02 C ATOM 0 H PHE A 9 -8.725 -6.550 14.906 1.00 0.02 H new ATOM 0 HA PHE A 9 -5.726 -6.501 14.811 1.00 0.01 H new ATOM 0 HB2 PHE A 9 -7.661 -4.387 15.861 1.00 0.02 H new ATOM 0 HB3 PHE A 9 -5.949 -4.189 15.547 1.00 0.02 H new ATOM 0 HD1 PHE A 9 -9.234 -4.838 13.913 1.00 0.01 H new ATOM 0 HD2 PHE A 9 -5.140 -3.670 13.354 1.00 0.01 H new ATOM 0 HE1 PHE A 9 -9.749 -4.151 11.588 1.00 0.02 H new ATOM 0 HE2 PHE A 9 -5.650 -2.992 11.022 1.00 0.02 H new ATOM 0 HZ PHE A 9 -7.957 -3.232 10.140 1.00 0.02 H new ATOM 136 N TYR A 10 -5.457 -6.860 17.329 1.00 0.02 N ATOM 137 CA TYR A 10 -5.358 -7.260 18.772 1.00 0.01 C ATOM 138 C TYR A 10 -4.454 -6.271 19.513 1.00 0.02 C ATOM 139 O TYR A 10 -3.440 -5.830 18.994 1.00 0.01 O ATOM 140 CB TYR A 10 -4.742 -8.661 18.873 1.00 0.02 C ATOM 141 CG TYR A 10 -5.431 -9.611 17.915 1.00 0.02 C ATOM 142 CD1 TYR A 10 -5.217 -9.497 16.534 1.00 0.02 C ATOM 143 CD2 TYR A 10 -6.276 -10.614 18.407 1.00 0.00 C ATOM 144 CE1 TYR A 10 -5.846 -10.383 15.649 1.00 0.02 C ATOM 145 CE2 TYR A 10 -6.906 -11.499 17.521 1.00 0.02 C ATOM 146 CZ TYR A 10 -6.690 -11.383 16.144 1.00 0.00 C ATOM 147 OH TYR A 10 -7.309 -12.258 15.273 1.00 0.02 O ATOM 0 H TYR A 10 -4.565 -6.805 16.838 1.00 0.02 H new ATOM 0 HA TYR A 10 -6.354 -7.259 19.215 1.00 0.01 H new ATOM 0 HB2 TYR A 10 -3.677 -8.614 18.646 1.00 0.02 H new ATOM 0 HB3 TYR A 10 -4.834 -9.033 19.893 1.00 0.02 H new ATOM 0 HD1 TYR A 10 -4.566 -8.725 16.152 1.00 0.02 H new ATOM 0 HD2 TYR A 10 -6.442 -10.706 19.470 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.679 -10.294 14.586 1.00 0.02 H new ATOM 0 HE2 TYR A 10 -7.558 -12.271 17.902 1.00 0.02 H new ATOM 0 HH TYR A 10 -8.244 -11.992 15.151 1.00 0.02 H new ATOM 157 N GLU A 11 -4.837 -5.887 20.706 1.00 0.00 N ATOM 158 CA GLU A 11 -4.030 -4.893 21.470 1.00 0.02 C ATOM 159 C GLU A 11 -2.683 -5.473 21.900 1.00 0.03 C ATOM 160 O GLU A 11 -1.729 -4.739 22.067 1.00 0.03 O ATOM 161 CB GLU A 11 -4.804 -4.471 22.727 1.00 0.00 C ATOM 162 CG GLU A 11 -5.927 -3.510 22.348 1.00 0.00 C ATOM 163 CD GLU A 11 -6.665 -3.059 23.609 1.00 0.02 C ATOM 164 OE1 GLU A 11 -6.621 -3.785 24.589 1.00 0.01 O ATOM 165 OE2 GLU A 11 -7.262 -1.994 23.575 1.00 0.02 O ATOM 0 H GLU A 11 -5.675 -6.221 21.182 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.848 -4.038 20.819 1.00 0.02 H new ATOM 0 HB2 GLU A 11 -5.217 -5.350 23.222 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -4.129 -3.993 23.437 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.518 -2.645 21.825 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.621 -3.998 21.663 1.00 0.00 H new ATOM 172 N ASP A 12 -2.580 -6.769 22.088 1.00 0.02 N ATOM 173 CA ASP A 12 -1.274 -7.365 22.518 1.00 0.01 C ATOM 174 C ASP A 12 -0.720 -8.280 21.426 1.00 0.02 C ATOM 175 O ASP A 12 -1.377 -8.595 20.453 1.00 0.02 O ATOM 176 CB ASP A 12 -1.474 -8.181 23.797 1.00 0.01 C ATOM 177 CG ASP A 12 -2.348 -7.393 24.774 1.00 0.01 C ATOM 178 OD1 ASP A 12 -2.451 -6.189 24.607 1.00 0.03 O ATOM 179 OD2 ASP A 12 -2.900 -8.008 25.671 1.00 0.02 O ATOM 0 H ASP A 12 -3.341 -7.437 21.963 1.00 0.02 H new ATOM 0 HA ASP A 12 -0.568 -6.555 22.701 1.00 0.01 H new ATOM 0 HB2 ASP A 12 -1.943 -9.136 23.562 1.00 0.01 H new ATOM 0 HB3 ASP A 12 -0.510 -8.404 24.254 1.00 0.01 H new ATOM 184 N ARG A 13 0.497 -8.695 21.600 1.00 0.02 N ATOM 185 CA ARG A 13 1.161 -9.586 20.610 1.00 0.02 C ATOM 186 C ARG A 13 0.606 -11.008 20.728 1.00 0.00 C ATOM 187 O ARG A 13 0.000 -11.378 21.716 1.00 0.02 O ATOM 188 CB ARG A 13 2.664 -9.590 20.910 1.00 0.00 C ATOM 189 CG ARG A 13 3.307 -8.322 20.341 1.00 0.01 C ATOM 190 CD ARG A 13 4.735 -8.183 20.875 1.00 0.02 C ATOM 191 NE ARG A 13 4.692 -7.664 22.271 1.00 0.03 N ATOM 192 CZ ARG A 13 5.753 -7.737 23.025 1.00 0.02 C ATOM 193 NH1 ARG A 13 6.848 -8.274 22.563 1.00 0.02 N ATOM 194 NH2 ARG A 13 5.719 -7.272 24.242 1.00 0.02 N ATOM 0 H ARG A 13 1.075 -8.450 22.404 1.00 0.02 H new ATOM 0 HA ARG A 13 0.975 -9.227 19.598 1.00 0.02 H new ATOM 0 HB2 ARG A 13 2.830 -9.642 21.986 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.130 -10.473 20.473 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.318 -8.366 19.252 1.00 0.01 H new ATOM 0 HG3 ARG A 13 2.718 -7.448 20.619 1.00 0.01 H new ATOM 0 HD2 ARG A 13 5.240 -9.148 20.849 1.00 0.02 H new ATOM 0 HD3 ARG A 13 5.308 -7.506 20.241 1.00 0.02 H new ATOM 0 HE ARG A 13 3.833 -7.252 22.636 1.00 0.03 H new ATOM 0 HH11 ARG A 13 6.875 -8.638 21.610 1.00 0.02 H new ATOM 0 HH12 ARG A 13 7.677 -8.330 23.154 1.00 0.02 H new ATOM 0 HH21 ARG A 13 4.863 -6.852 24.604 1.00 0.02 H new ATOM 0 HH22 ARG A 13 6.548 -7.329 24.833 1.00 0.02 H new ATOM 208 N ASN A 14 0.809 -11.802 19.706 1.00 0.02 N ATOM 209 CA ASN A 14 0.322 -13.210 19.712 1.00 0.02 C ATOM 210 C ASN A 14 -1.201 -13.250 19.805 1.00 0.02 C ATOM 211 O ASN A 14 -1.783 -14.114 20.428 1.00 0.02 O ATOM 212 CB ASN A 14 0.956 -13.957 20.890 1.00 0.26 C ATOM 213 CG ASN A 14 0.792 -15.464 20.690 1.00 0.12 C ATOM 214 OD1 ASN A 14 -0.215 -16.032 21.063 1.00 0.74 O ATOM 215 ND2 ASN A 14 1.746 -16.142 20.114 1.00 0.46 N ATOM 0 H ASN A 14 1.300 -11.526 18.856 1.00 0.02 H new ATOM 0 HA ASN A 14 0.612 -13.696 18.781 1.00 0.02 H new ATOM 0 HB2 ASN A 14 2.013 -13.703 20.968 1.00 0.26 H new ATOM 0 HB3 ASN A 14 0.485 -13.651 21.824 1.00 0.26 H new ATOM 0 HD21 ASN A 14 1.646 -17.148 19.977 1.00 0.46 H new ATOM 0 HD22 ASN A 14 2.592 -15.666 19.800 1.00 0.46 H new ATOM 222 N PHE A 15 -1.829 -12.284 19.182 1.00 0.02 N ATOM 223 CA PHE A 15 -3.319 -12.174 19.174 1.00 0.02 C ATOM 224 C PHE A 15 -3.881 -12.295 20.588 1.00 0.00 C ATOM 225 O PHE A 15 -4.887 -12.936 20.821 1.00 0.02 O ATOM 226 CB PHE A 15 -3.952 -13.231 18.249 1.00 0.02 C ATOM 227 CG PHE A 15 -3.328 -14.590 18.459 1.00 0.02 C ATOM 228 CD1 PHE A 15 -3.860 -15.465 19.413 1.00 0.02 C ATOM 229 CD2 PHE A 15 -2.216 -14.973 17.701 1.00 0.02 C ATOM 230 CE1 PHE A 15 -3.280 -16.723 19.608 1.00 0.02 C ATOM 231 CE2 PHE A 15 -1.636 -16.232 17.896 1.00 0.02 C ATOM 232 CZ PHE A 15 -2.168 -17.109 18.849 1.00 0.02 C ATOM 0 H PHE A 15 -1.354 -11.545 18.663 1.00 0.02 H new ATOM 0 HA PHE A 15 -3.575 -11.189 18.785 1.00 0.02 H new ATOM 0 HB2 PHE A 15 -5.024 -13.288 18.439 1.00 0.02 H new ATOM 0 HB3 PHE A 15 -3.828 -12.928 17.209 1.00 0.02 H new ATOM 0 HD1 PHE A 15 -4.718 -15.169 19.998 1.00 0.02 H new ATOM 0 HD2 PHE A 15 -1.805 -14.297 16.965 1.00 0.02 H new ATOM 0 HE1 PHE A 15 -3.690 -17.398 20.345 1.00 0.02 H new ATOM 0 HE2 PHE A 15 -0.778 -16.527 17.311 1.00 0.02 H new ATOM 0 HZ PHE A 15 -1.722 -18.081 18.999 1.00 0.02 H new ATOM 242 N GLN A 16 -3.245 -11.646 21.530 1.00 0.02 N ATOM 243 CA GLN A 16 -3.730 -11.665 22.943 1.00 0.02 C ATOM 244 C GLN A 16 -4.282 -10.272 23.268 1.00 0.02 C ATOM 245 O GLN A 16 -4.050 -9.325 22.540 1.00 0.02 O ATOM 246 CB GLN A 16 -2.558 -11.979 23.880 1.00 0.02 C ATOM 247 CG GLN A 16 -2.257 -13.480 23.841 1.00 0.00 C ATOM 248 CD GLN A 16 -3.379 -14.246 24.543 1.00 0.00 C ATOM 249 OE1 GLN A 16 -3.859 -15.244 24.039 1.00 0.02 O ATOM 250 NE2 GLN A 16 -3.817 -13.819 25.695 1.00 0.02 N ATOM 0 H GLN A 16 -2.399 -11.097 21.378 1.00 0.02 H new ATOM 0 HA GLN A 16 -4.502 -12.424 23.073 1.00 0.02 H new ATOM 0 HB2 GLN A 16 -1.677 -11.413 23.578 1.00 0.02 H new ATOM 0 HB3 GLN A 16 -2.801 -11.673 24.898 1.00 0.02 H new ATOM 0 HG2 GLN A 16 -2.164 -13.816 22.808 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -1.304 -13.683 24.329 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.413 -12.982 26.116 1.00 0.02 H new ATOM 0 HE22 GLN A 16 -4.563 -14.322 26.175 1.00 0.02 H new ATOM 259 N GLY A 17 -5.012 -10.124 24.344 1.00 0.03 N ATOM 260 CA GLY A 17 -5.565 -8.779 24.691 1.00 0.03 C ATOM 261 C GLY A 17 -6.936 -8.568 24.038 1.00 0.02 C ATOM 262 O GLY A 17 -7.538 -9.483 23.513 1.00 0.02 O ATOM 0 H GLY A 17 -5.249 -10.873 24.995 1.00 0.03 H new ATOM 0 HA2 GLY A 17 -5.655 -8.686 25.773 1.00 0.03 H new ATOM 0 HA3 GLY A 17 -4.876 -8.002 24.360 1.00 0.03 H new ATOM 266 N ARG A 18 -7.419 -7.354 24.059 1.00 0.00 N ATOM 267 CA ARG A 18 -8.740 -7.048 23.435 1.00 0.02 C ATOM 268 C ARG A 18 -8.617 -7.180 21.918 1.00 0.02 C ATOM 269 O ARG A 18 -7.593 -6.871 21.341 1.00 0.02 O ATOM 270 CB ARG A 18 -9.148 -5.616 23.792 1.00 0.79 C ATOM 271 CG ARG A 18 -10.564 -5.348 23.278 1.00 1.49 C ATOM 272 CD ARG A 18 -11.056 -3.997 23.801 1.00 1.42 C ATOM 273 NE ARG A 18 -12.300 -3.610 23.079 1.00 2.07 N ATOM 274 CZ ARG A 18 -13.057 -2.656 23.547 1.00 2.35 C ATOM 275 NH1 ARG A 18 -12.723 -2.036 24.647 1.00 2.53 N ATOM 276 NH2 ARG A 18 -14.149 -2.320 22.913 1.00 2.76 N ATOM 0 H ARG A 18 -6.951 -6.554 24.485 1.00 0.00 H new ATOM 0 HA ARG A 18 -9.494 -7.743 23.804 1.00 0.02 H new ATOM 0 HB2 ARG A 18 -9.108 -5.473 24.872 1.00 0.79 H new ATOM 0 HB3 ARG A 18 -8.449 -4.906 23.351 1.00 0.79 H new ATOM 0 HG2 ARG A 18 -10.572 -5.352 22.188 1.00 1.49 H new ATOM 0 HG3 ARG A 18 -11.236 -6.142 23.604 1.00 1.49 H new ATOM 0 HD2 ARG A 18 -11.248 -4.057 24.872 1.00 1.42 H new ATOM 0 HD3 ARG A 18 -10.288 -3.237 23.657 1.00 1.42 H new ATOM 0 HE ARG A 18 -12.560 -4.091 22.218 1.00 2.07 H new ATOM 0 HH11 ARG A 18 -11.870 -2.298 25.141 1.00 2.53 H new ATOM 0 HH12 ARG A 18 -13.315 -1.290 25.012 1.00 2.53 H new ATOM 0 HH21 ARG A 18 -14.409 -2.803 22.053 1.00 2.76 H new ATOM 0 HH22 ARG A 18 -14.742 -1.574 23.278 1.00 2.76 H new ATOM 290 N ARG A 19 -9.653 -7.662 21.272 1.00 0.02 N ATOM 291 CA ARG A 19 -9.615 -7.850 19.788 1.00 0.02 C ATOM 292 C ARG A 19 -10.745 -7.059 19.126 1.00 0.02 C ATOM 293 O ARG A 19 -11.807 -6.873 19.685 1.00 0.02 O ATOM 294 CB ARG A 19 -9.813 -9.340 19.479 1.00 0.85 C ATOM 295 CG ARG A 19 -9.578 -9.606 17.987 1.00 1.31 C ATOM 296 CD ARG A 19 -10.005 -11.038 17.647 1.00 1.34 C ATOM 297 NE ARG A 19 -9.751 -11.931 18.814 1.00 1.50 N ATOM 298 CZ ARG A 19 -10.315 -13.105 18.867 1.00 1.63 C ATOM 299 NH1 ARG A 19 -11.110 -13.490 17.907 1.00 1.72 N ATOM 300 NH2 ARG A 19 -10.084 -13.893 19.880 1.00 1.89 N ATOM 0 H ARG A 19 -10.530 -7.935 21.715 1.00 0.02 H new ATOM 0 HA ARG A 19 -8.657 -7.498 19.404 1.00 0.02 H new ATOM 0 HB2 ARG A 19 -9.124 -9.938 20.076 1.00 0.85 H new ATOM 0 HB3 ARG A 19 -10.822 -9.646 19.756 1.00 0.85 H new ATOM 0 HG2 ARG A 19 -10.145 -8.894 17.387 1.00 1.31 H new ATOM 0 HG3 ARG A 19 -8.526 -9.462 17.743 1.00 1.31 H new ATOM 0 HD2 ARG A 19 -11.063 -11.059 17.384 1.00 1.34 H new ATOM 0 HD3 ARG A 19 -9.453 -11.395 16.777 1.00 1.34 H new ATOM 0 HE ARG A 19 -9.138 -11.624 19.569 1.00 1.50 H new ATOM 0 HH11 ARG A 19 -11.290 -12.872 17.115 1.00 1.72 H new ATOM 0 HH12 ARG A 19 -11.552 -14.409 17.948 1.00 1.72 H new ATOM 0 HH21 ARG A 19 -9.462 -13.591 20.630 1.00 1.89 H new ATOM 0 HH22 ARG A 19 -10.525 -14.812 19.922 1.00 1.89 H new ATOM 314 N TYR A 20 -10.517 -6.625 17.915 1.00 0.02 N ATOM 315 CA TYR A 20 -11.562 -5.877 17.153 1.00 0.02 C ATOM 316 C TYR A 20 -11.636 -6.463 15.748 1.00 0.02 C ATOM 317 O TYR A 20 -10.637 -6.604 15.078 1.00 0.02 O ATOM 318 CB TYR A 20 -11.204 -4.394 17.067 1.00 0.02 C ATOM 319 CG TYR A 20 -12.261 -3.681 16.256 1.00 0.01 C ATOM 320 CD1 TYR A 20 -13.545 -3.507 16.788 1.00 0.02 C ATOM 321 CD2 TYR A 20 -11.963 -3.194 14.976 1.00 0.01 C ATOM 322 CE1 TYR A 20 -14.527 -2.846 16.043 1.00 0.02 C ATOM 323 CE2 TYR A 20 -12.947 -2.533 14.232 1.00 0.02 C ATOM 324 CZ TYR A 20 -14.228 -2.358 14.765 1.00 0.02 C ATOM 325 OH TYR A 20 -15.199 -1.705 14.031 1.00 0.01 O ATOM 0 H TYR A 20 -9.639 -6.759 17.414 1.00 0.02 H new ATOM 0 HA TYR A 20 -12.522 -5.970 17.661 1.00 0.02 H new ATOM 0 HB2 TYR A 20 -11.141 -3.963 18.066 1.00 0.02 H new ATOM 0 HB3 TYR A 20 -10.225 -4.269 16.604 1.00 0.02 H new ATOM 0 HD1 TYR A 20 -13.777 -3.883 17.773 1.00 0.02 H new ATOM 0 HD2 TYR A 20 -10.974 -3.329 14.564 1.00 0.01 H new ATOM 0 HE1 TYR A 20 -15.517 -2.712 16.454 1.00 0.02 H new ATOM 0 HE2 TYR A 20 -12.717 -2.158 13.246 1.00 0.02 H new ATOM 0 HH TYR A 20 -14.826 -1.430 13.167 1.00 0.01 H new ATOM 335 N ASP A 21 -12.817 -6.815 15.301 1.00 0.01 N ATOM 336 CA ASP A 21 -12.980 -7.413 13.938 1.00 0.02 C ATOM 337 C ASP A 21 -13.713 -6.426 13.034 1.00 0.00 C ATOM 338 O ASP A 21 -14.683 -5.807 13.427 1.00 0.01 O ATOM 339 CB ASP A 21 -13.803 -8.698 14.057 1.00 0.12 C ATOM 340 CG ASP A 21 -13.197 -9.592 15.139 1.00 0.41 C ATOM 341 OD1 ASP A 21 -11.995 -9.795 15.108 1.00 0.56 O ATOM 342 OD2 ASP A 21 -13.946 -10.059 15.982 1.00 1.12 O ATOM 0 H ASP A 21 -13.684 -6.712 15.828 1.00 0.01 H new ATOM 0 HA ASP A 21 -12.002 -7.635 13.512 1.00 0.02 H new ATOM 0 HB2 ASP A 21 -14.837 -8.459 14.305 1.00 0.12 H new ATOM 0 HB3 ASP A 21 -13.817 -9.223 13.102 1.00 0.12 H new ATOM 347 N CYS A 22 -13.240 -6.269 11.822 1.00 0.01 N ATOM 348 CA CYS A 22 -13.881 -5.314 10.867 1.00 0.00 C ATOM 349 C CYS A 22 -14.137 -6.015 9.531 1.00 0.02 C ATOM 350 O CYS A 22 -13.311 -6.760 9.035 1.00 0.01 O ATOM 351 CB CYS A 22 -12.949 -4.116 10.665 1.00 0.00 C ATOM 352 SG CYS A 22 -13.886 -2.733 9.969 1.00 0.02 S ATOM 0 H CYS A 22 -12.430 -6.766 11.451 1.00 0.01 H new ATOM 0 HA CYS A 22 -14.834 -4.969 11.268 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -12.502 -3.825 11.616 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -12.130 -4.387 9.998 1.00 0.00 H new ATOM 0 HG CYS A 22 -13.765 -2.735 8.675 1.00 0.02 H new ATOM 358 N ASP A 23 -15.287 -5.778 8.953 1.00 0.01 N ATOM 359 CA ASP A 23 -15.645 -6.416 7.647 1.00 0.02 C ATOM 360 C ASP A 23 -15.819 -5.330 6.587 1.00 0.00 C ATOM 361 O ASP A 23 -16.287 -5.585 5.495 1.00 0.02 O ATOM 362 CB ASP A 23 -16.957 -7.186 7.803 1.00 0.16 C ATOM 363 CG ASP A 23 -17.187 -8.054 6.565 1.00 0.17 C ATOM 364 OD1 ASP A 23 -16.336 -8.881 6.278 1.00 0.17 O ATOM 365 OD2 ASP A 23 -18.209 -7.878 5.923 1.00 0.20 O ATOM 0 H ASP A 23 -16.004 -5.161 9.335 1.00 0.01 H new ATOM 0 HA ASP A 23 -14.853 -7.101 7.344 1.00 0.02 H new ATOM 0 HB2 ASP A 23 -16.921 -7.810 8.696 1.00 0.16 H new ATOM 0 HB3 ASP A 23 -17.786 -6.491 7.932 1.00 0.16 H new ATOM 370 N CYS A 24 -15.432 -4.122 6.895 1.00 0.01 N ATOM 371 CA CYS A 24 -15.558 -3.018 5.908 1.00 0.01 C ATOM 372 C CYS A 24 -14.584 -1.909 6.310 1.00 0.01 C ATOM 373 O CYS A 24 -13.950 -1.985 7.343 1.00 0.01 O ATOM 374 CB CYS A 24 -16.991 -2.481 5.916 1.00 0.62 C ATOM 375 SG CYS A 24 -17.248 -1.434 4.462 1.00 1.23 S ATOM 0 H CYS A 24 -15.032 -3.853 7.794 1.00 0.01 H new ATOM 0 HA CYS A 24 -15.327 -3.376 4.905 1.00 0.01 H new ATOM 0 HB2 CYS A 24 -17.701 -3.308 5.913 1.00 0.62 H new ATOM 0 HB3 CYS A 24 -17.172 -1.909 6.826 1.00 0.62 H new ATOM 0 HG CYS A 24 -16.699 -0.273 4.661 1.00 1.23 H new ATOM 381 N ASP A 25 -14.443 -0.887 5.516 1.00 0.02 N ATOM 382 CA ASP A 25 -13.493 0.201 5.880 1.00 0.01 C ATOM 383 C ASP A 25 -13.920 0.858 7.194 1.00 0.02 C ATOM 384 O ASP A 25 -15.093 1.013 7.468 1.00 0.00 O ATOM 385 CB ASP A 25 -13.490 1.262 4.778 1.00 0.01 C ATOM 386 CG ASP A 25 -14.926 1.708 4.494 1.00 0.01 C ATOM 387 OD1 ASP A 25 -15.805 0.863 4.524 1.00 0.01 O ATOM 388 OD2 ASP A 25 -15.121 2.888 4.252 1.00 0.01 O ATOM 0 H ASP A 25 -14.941 -0.757 4.635 1.00 0.02 H new ATOM 0 HA ASP A 25 -12.497 -0.226 5.995 1.00 0.01 H new ATOM 0 HB2 ASP A 25 -12.886 2.117 5.083 1.00 0.01 H new ATOM 0 HB3 ASP A 25 -13.037 0.859 3.872 1.00 0.01 H new ATOM 393 N CYS A 26 -12.968 1.264 7.998 1.00 0.01 N ATOM 394 CA CYS A 26 -13.292 1.944 9.294 1.00 0.01 C ATOM 395 C CYS A 26 -12.445 3.214 9.401 1.00 0.01 C ATOM 396 O CYS A 26 -11.230 3.163 9.397 1.00 0.01 O ATOM 397 CB CYS A 26 -12.985 1.011 10.469 1.00 0.01 C ATOM 398 SG CYS A 26 -13.058 1.948 12.017 1.00 0.02 S ATOM 0 H CYS A 26 -11.971 1.153 7.811 1.00 0.01 H new ATOM 0 HA CYS A 26 -14.351 2.198 9.324 1.00 0.01 H new ATOM 0 HB2 CYS A 26 -13.703 0.191 10.493 1.00 0.01 H new ATOM 0 HB3 CYS A 26 -11.997 0.567 10.346 1.00 0.01 H new ATOM 0 HG CYS A 26 -13.224 1.129 13.013 1.00 0.02 H new ATOM 404 N ALA A 27 -13.077 4.359 9.452 1.00 0.01 N ATOM 405 CA ALA A 27 -12.308 5.634 9.510 1.00 0.01 C ATOM 406 C ALA A 27 -11.782 5.902 10.922 1.00 0.01 C ATOM 407 O ALA A 27 -10.808 6.601 11.103 1.00 0.02 O ATOM 408 CB ALA A 27 -13.210 6.791 9.078 1.00 0.24 C ATOM 0 H ALA A 27 -14.092 4.464 9.456 1.00 0.01 H new ATOM 0 HA ALA A 27 -11.455 5.549 8.837 1.00 0.01 H new ATOM 0 HB1 ALA A 27 -12.649 7.725 9.120 1.00 0.24 H new ATOM 0 HB2 ALA A 27 -13.557 6.621 8.059 1.00 0.24 H new ATOM 0 HB3 ALA A 27 -14.068 6.853 9.747 1.00 0.24 H new ATOM 414 N ASP A 28 -12.417 5.365 11.928 1.00 0.01 N ATOM 415 CA ASP A 28 -11.941 5.606 13.323 1.00 0.02 C ATOM 416 C ASP A 28 -12.361 4.428 14.201 1.00 0.01 C ATOM 417 O ASP A 28 -13.503 4.306 14.596 1.00 0.02 O ATOM 418 CB ASP A 28 -12.557 6.900 13.862 1.00 0.67 C ATOM 419 CG ASP A 28 -12.324 8.029 12.857 1.00 0.90 C ATOM 420 OD1 ASP A 28 -13.101 8.133 11.923 1.00 0.87 O ATOM 421 OD2 ASP A 28 -11.372 8.770 13.038 1.00 1.14 O ATOM 0 H ASP A 28 -13.242 4.771 11.846 1.00 0.01 H new ATOM 0 HA ASP A 28 -10.855 5.701 13.331 1.00 0.02 H new ATOM 0 HB2 ASP A 28 -13.625 6.764 14.032 1.00 0.67 H new ATOM 0 HB3 ASP A 28 -12.111 7.156 14.823 1.00 0.67 H new ATOM 426 N PHE A 29 -11.438 3.551 14.499 1.00 0.02 N ATOM 427 CA PHE A 29 -11.745 2.356 15.342 1.00 0.02 C ATOM 428 C PHE A 29 -11.247 2.593 16.778 1.00 0.00 C ATOM 429 O PHE A 29 -11.201 1.699 17.598 1.00 0.02 O ATOM 430 CB PHE A 29 -11.078 1.115 14.690 1.00 2.87 C ATOM 431 CG PHE A 29 -9.721 0.793 15.305 1.00 3.99 C ATOM 432 CD1 PHE A 29 -8.812 1.814 15.625 1.00 4.52 C ATOM 433 CD2 PHE A 29 -9.378 -0.542 15.550 1.00 4.68 C ATOM 434 CE1 PHE A 29 -7.574 1.494 16.192 1.00 5.75 C ATOM 435 CE2 PHE A 29 -8.138 -0.858 16.113 1.00 5.85 C ATOM 436 CZ PHE A 29 -7.236 0.160 16.436 1.00 6.37 C ATOM 0 H PHE A 29 -10.468 3.613 14.189 1.00 0.02 H new ATOM 0 HA PHE A 29 -12.820 2.183 15.399 1.00 0.02 H new ATOM 0 HB2 PHE A 29 -11.737 0.253 14.799 1.00 2.87 H new ATOM 0 HB3 PHE A 29 -10.957 1.291 13.621 1.00 2.87 H new ATOM 0 HD1 PHE A 29 -9.068 2.846 15.434 1.00 4.52 H new ATOM 0 HD2 PHE A 29 -10.074 -1.330 15.303 1.00 4.68 H new ATOM 0 HE1 PHE A 29 -6.877 2.280 16.442 1.00 5.75 H new ATOM 0 HE2 PHE A 29 -7.877 -1.889 16.299 1.00 5.85 H new ATOM 0 HZ PHE A 29 -6.279 -0.084 16.874 1.00 6.37 H new ATOM 446 N ARG A 30 -10.826 3.799 17.052 1.00 0.01 N ATOM 447 CA ARG A 30 -10.276 4.131 18.398 1.00 0.00 C ATOM 448 C ARG A 30 -11.299 3.873 19.505 1.00 0.01 C ATOM 449 O ARG A 30 -10.932 3.633 20.638 1.00 0.02 O ATOM 450 CB ARG A 30 -9.870 5.607 18.431 1.00 0.32 C ATOM 451 CG ARG A 30 -8.986 5.921 17.222 1.00 0.86 C ATOM 452 CD ARG A 30 -8.300 7.273 17.430 1.00 1.62 C ATOM 453 NE ARG A 30 -7.395 7.192 18.610 1.00 2.25 N ATOM 454 CZ ARG A 30 -6.491 8.111 18.801 1.00 2.70 C ATOM 455 NH1 ARG A 30 -6.380 9.102 17.959 1.00 3.11 N ATOM 456 NH2 ARG A 30 -5.697 8.042 19.836 1.00 3.02 N ATOM 0 H ARG A 30 -10.840 4.577 16.392 1.00 0.01 H new ATOM 0 HA ARG A 30 -9.412 3.490 18.574 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -10.758 6.240 18.420 1.00 0.32 H new ATOM 0 HB3 ARG A 30 -9.333 5.827 19.354 1.00 0.32 H new ATOM 0 HG2 ARG A 30 -8.239 5.138 17.091 1.00 0.86 H new ATOM 0 HG3 ARG A 30 -9.588 5.942 16.313 1.00 0.86 H new ATOM 0 HD2 ARG A 30 -7.732 7.546 16.540 1.00 1.62 H new ATOM 0 HD3 ARG A 30 -9.047 8.052 17.583 1.00 1.62 H new ATOM 0 HE ARG A 30 -7.483 6.418 19.268 1.00 2.25 H new ATOM 0 HH11 ARG A 30 -7.001 9.157 17.152 1.00 3.11 H new ATOM 0 HH12 ARG A 30 -5.672 9.821 18.108 1.00 3.11 H new ATOM 0 HH21 ARG A 30 -5.784 7.269 20.495 1.00 3.02 H new ATOM 0 HH22 ARG A 30 -4.990 8.762 19.985 1.00 3.02 H new ATOM 470 N SER A 31 -12.570 3.935 19.218 1.00 0.02 N ATOM 471 CA SER A 31 -13.579 3.711 20.292 1.00 0.02 C ATOM 472 C SER A 31 -13.655 2.227 20.649 1.00 0.01 C ATOM 473 O SER A 31 -14.180 1.857 21.681 1.00 0.02 O ATOM 474 CB SER A 31 -14.949 4.185 19.802 1.00 0.37 C ATOM 475 OG SER A 31 -14.835 5.509 19.297 1.00 0.88 O ATOM 0 H SER A 31 -12.952 4.130 18.293 1.00 0.02 H new ATOM 0 HA SER A 31 -13.285 4.272 21.179 1.00 0.02 H new ATOM 0 HB2 SER A 31 -15.321 3.518 19.024 1.00 0.37 H new ATOM 0 HB3 SER A 31 -15.670 4.156 20.619 1.00 0.37 H new ATOM 0 HG SER A 31 -15.711 5.815 18.981 1.00 0.88 H new ATOM 481 N TYR A 32 -13.152 1.374 19.798 1.00 0.01 N ATOM 482 CA TYR A 32 -13.206 -0.095 20.064 1.00 0.01 C ATOM 483 C TYR A 32 -11.823 -0.597 20.482 1.00 0.02 C ATOM 484 O TYR A 32 -11.693 -1.631 21.104 1.00 0.02 O ATOM 485 CB TYR A 32 -13.630 -0.811 18.780 1.00 0.02 C ATOM 486 CG TYR A 32 -15.104 -0.588 18.538 1.00 0.02 C ATOM 487 CD1 TYR A 32 -15.533 0.533 17.817 1.00 0.01 C ATOM 488 CD2 TYR A 32 -16.042 -1.502 19.033 1.00 0.01 C ATOM 489 CE1 TYR A 32 -16.899 0.741 17.592 1.00 0.02 C ATOM 490 CE2 TYR A 32 -17.408 -1.295 18.807 1.00 0.00 C ATOM 491 CZ TYR A 32 -17.836 -0.174 18.087 1.00 0.02 C ATOM 492 OH TYR A 32 -19.183 0.032 17.864 1.00 0.02 O ATOM 0 H TYR A 32 -12.701 1.634 18.921 1.00 0.01 H new ATOM 0 HA TYR A 32 -13.919 -0.296 20.864 1.00 0.01 H new ATOM 0 HB2 TYR A 32 -13.052 -0.437 17.935 1.00 0.02 H new ATOM 0 HB3 TYR A 32 -13.422 -1.878 18.861 1.00 0.02 H new ATOM 0 HD1 TYR A 32 -14.810 1.238 17.434 1.00 0.01 H new ATOM 0 HD2 TYR A 32 -15.712 -2.367 19.589 1.00 0.01 H new ATOM 0 HE1 TYR A 32 -17.230 1.607 17.037 1.00 0.02 H new ATOM 0 HE2 TYR A 32 -18.131 -2.000 19.188 1.00 0.00 H new ATOM 0 HH TYR A 32 -19.697 -0.695 18.273 1.00 0.02 H new ATOM 502 N LEU A 33 -10.784 0.115 20.133 1.00 0.02 N ATOM 503 CA LEU A 33 -9.405 -0.336 20.493 1.00 0.02 C ATOM 504 C LEU A 33 -8.502 0.901 20.670 1.00 0.02 C ATOM 505 O LEU A 33 -8.443 1.775 19.828 1.00 0.02 O ATOM 506 CB LEU A 33 -8.869 -1.215 19.337 1.00 1.66 C ATOM 507 CG LEU A 33 -8.078 -2.415 19.890 1.00 2.38 C ATOM 508 CD1 LEU A 33 -9.028 -3.449 20.535 1.00 3.32 C ATOM 509 CD2 LEU A 33 -7.299 -3.072 18.744 1.00 2.80 C ATOM 0 H LEU A 33 -10.830 0.991 19.613 1.00 0.02 H new ATOM 0 HA LEU A 33 -9.415 -0.907 21.422 1.00 0.02 H new ATOM 0 HB2 LEU A 33 -9.700 -1.570 18.728 1.00 1.66 H new ATOM 0 HB3 LEU A 33 -8.229 -0.619 18.687 1.00 1.66 H new ATOM 0 HG LEU A 33 -7.388 -2.061 20.656 1.00 2.38 H new ATOM 0 HD11 LEU A 33 -8.447 -4.288 20.918 1.00 3.32 H new ATOM 0 HD12 LEU A 33 -9.573 -2.981 21.354 1.00 3.32 H new ATOM 0 HD13 LEU A 33 -9.735 -3.809 19.788 1.00 3.32 H new ATOM 0 HD21 LEU A 33 -6.736 -3.923 19.128 1.00 2.80 H new ATOM 0 HD22 LEU A 33 -7.996 -3.413 17.979 1.00 2.80 H new ATOM 0 HD23 LEU A 33 -6.610 -2.347 18.310 1.00 2.80 H new ATOM 521 N SER A 34 -7.822 0.971 21.783 1.00 0.02 N ATOM 522 CA SER A 34 -6.937 2.142 22.066 1.00 0.02 C ATOM 523 C SER A 34 -5.553 1.952 21.431 1.00 0.00 C ATOM 524 O SER A 34 -4.748 2.862 21.399 1.00 0.01 O ATOM 525 CB SER A 34 -6.787 2.289 23.580 1.00 0.02 C ATOM 526 OG SER A 34 -8.077 2.356 24.173 1.00 0.02 O ATOM 0 H SER A 34 -7.841 0.262 22.516 1.00 0.02 H new ATOM 0 HA SER A 34 -7.388 3.038 21.638 1.00 0.02 H new ATOM 0 HB2 SER A 34 -6.230 1.444 23.986 1.00 0.02 H new ATOM 0 HB3 SER A 34 -6.218 3.188 23.816 1.00 0.02 H new ATOM 0 HG SER A 34 -7.986 2.449 25.144 1.00 0.02 H new ATOM 532 N ARG A 35 -5.267 0.787 20.920 1.00 0.02 N ATOM 533 CA ARG A 35 -3.942 0.537 20.279 1.00 0.01 C ATOM 534 C ARG A 35 -4.012 -0.829 19.592 1.00 0.02 C ATOM 535 O ARG A 35 -4.900 -1.611 19.858 1.00 0.02 O ATOM 536 CB ARG A 35 -2.840 0.529 21.348 1.00 0.02 C ATOM 537 CG ARG A 35 -3.362 -0.141 22.620 1.00 0.02 C ATOM 538 CD ARG A 35 -2.189 -0.516 23.525 1.00 0.02 C ATOM 539 NE ARG A 35 -2.698 -0.850 24.883 1.00 0.02 N ATOM 540 CZ ARG A 35 -1.939 -1.496 25.723 1.00 0.02 C ATOM 541 NH1 ARG A 35 -0.735 -1.857 25.371 1.00 0.00 N ATOM 542 NH2 ARG A 35 -2.383 -1.784 26.916 1.00 0.02 N ATOM 0 H ARG A 35 -5.901 -0.012 20.918 1.00 0.02 H new ATOM 0 HA ARG A 35 -3.711 1.318 19.555 1.00 0.01 H new ATOM 0 HB2 ARG A 35 -1.964 -0.004 20.978 1.00 0.02 H new ATOM 0 HB3 ARG A 35 -2.524 1.549 21.566 1.00 0.02 H new ATOM 0 HG2 ARG A 35 -4.038 0.533 23.146 1.00 0.02 H new ATOM 0 HG3 ARG A 35 -3.935 -1.032 22.364 1.00 0.02 H new ATOM 0 HD2 ARG A 35 -1.651 -1.367 23.107 1.00 0.02 H new ATOM 0 HD3 ARG A 35 -1.482 0.311 23.583 1.00 0.02 H new ATOM 0 HE ARG A 35 -3.641 -0.573 25.156 1.00 0.02 H new ATOM 0 HH11 ARG A 35 -0.388 -1.634 24.438 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.141 -2.362 26.029 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.324 -1.504 27.191 1.00 0.02 H new ATOM 0 HH22 ARG A 35 -1.789 -2.290 27.573 1.00 0.02 H new ATOM 556 N CYS A 36 -3.097 -1.132 18.706 1.00 0.02 N ATOM 557 CA CYS A 36 -3.127 -2.455 18.011 1.00 0.02 C ATOM 558 C CYS A 36 -1.686 -2.948 17.839 1.00 0.02 C ATOM 559 O CYS A 36 -0.911 -2.329 17.138 1.00 0.02 O ATOM 560 CB CYS A 36 -3.789 -2.276 16.640 1.00 0.02 C ATOM 561 SG CYS A 36 -3.329 -3.642 15.547 1.00 0.02 S ATOM 0 H CYS A 36 -2.329 -0.519 18.433 1.00 0.02 H new ATOM 0 HA CYS A 36 -3.693 -3.184 18.591 1.00 0.02 H new ATOM 0 HB2 CYS A 36 -4.873 -2.239 16.752 1.00 0.02 H new ATOM 0 HB3 CYS A 36 -3.481 -1.328 16.200 1.00 0.02 H new ATOM 0 HG CYS A 36 -3.484 -4.770 16.174 1.00 0.02 H new ATOM 567 N ASN A 37 -1.300 -4.030 18.484 1.00 0.02 N ATOM 568 CA ASN A 37 0.118 -4.514 18.363 1.00 0.01 C ATOM 569 C ASN A 37 0.198 -5.806 17.545 1.00 0.02 C ATOM 570 O ASN A 37 1.267 -6.331 17.294 1.00 0.02 O ATOM 571 CB ASN A 37 0.695 -4.768 19.756 1.00 0.02 C ATOM 572 CG ASN A 37 0.769 -3.446 20.523 1.00 0.01 C ATOM 573 OD1 ASN A 37 1.805 -3.090 21.048 1.00 0.03 O ATOM 574 ND2 ASN A 37 -0.297 -2.698 20.611 1.00 0.02 N ATOM 0 H ASN A 37 -1.901 -4.595 19.084 1.00 0.02 H new ATOM 0 HA ASN A 37 0.694 -3.743 17.851 1.00 0.01 H new ATOM 0 HB2 ASN A 37 0.071 -5.480 20.296 1.00 0.02 H new ATOM 0 HB3 ASN A 37 1.688 -5.211 19.676 1.00 0.02 H new ATOM 0 HD21 ASN A 37 -0.260 -1.815 21.120 1.00 0.02 H new ATOM 0 HD22 ASN A 37 -1.167 -2.996 20.170 1.00 0.02 H new ATOM 581 N SER A 38 -0.924 -6.306 17.097 1.00 0.02 N ATOM 582 CA SER A 38 -0.919 -7.543 16.258 1.00 0.02 C ATOM 583 C SER A 38 -2.167 -7.529 15.376 1.00 0.01 C ATOM 584 O SER A 38 -3.160 -6.911 15.703 1.00 0.02 O ATOM 585 CB SER A 38 -0.910 -8.797 17.138 1.00 0.01 C ATOM 586 OG SER A 38 -1.575 -9.854 16.458 1.00 0.02 O ATOM 0 H SER A 38 -1.847 -5.910 17.276 1.00 0.02 H new ATOM 0 HA SER A 38 -0.020 -7.563 15.641 1.00 0.02 H new ATOM 0 HB2 SER A 38 0.115 -9.086 17.368 1.00 0.01 H new ATOM 0 HB3 SER A 38 -1.405 -8.592 18.088 1.00 0.01 H new ATOM 0 HG SER A 38 -1.082 -10.078 15.641 1.00 0.02 H new ATOM 592 N ILE A 39 -2.120 -8.186 14.242 1.00 0.02 N ATOM 593 CA ILE A 39 -3.303 -8.182 13.325 1.00 0.02 C ATOM 594 C ILE A 39 -3.426 -9.523 12.602 1.00 0.02 C ATOM 595 O ILE A 39 -2.453 -10.156 12.247 1.00 0.02 O ATOM 596 CB ILE A 39 -3.116 -7.085 12.272 1.00 0.00 C ATOM 597 CG1 ILE A 39 -2.748 -5.774 12.967 1.00 0.01 C ATOM 598 CG2 ILE A 39 -4.417 -6.892 11.484 1.00 0.01 C ATOM 599 CD1 ILE A 39 -2.700 -4.639 11.944 1.00 0.00 C ATOM 0 H ILE A 39 -1.317 -8.723 13.913 1.00 0.02 H new ATOM 0 HA ILE A 39 -4.201 -8.005 13.916 1.00 0.02 H new ATOM 0 HB ILE A 39 -2.320 -7.377 11.587 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -3.479 -5.546 13.743 1.00 0.01 H new ATOM 0 HG13 ILE A 39 -1.781 -5.872 13.460 1.00 0.01 H new ATOM 0 HG21 ILE A 39 -4.277 -6.111 10.737 1.00 0.01 H new ATOM 0 HG22 ILE A 39 -4.684 -7.825 10.988 1.00 0.01 H new ATOM 0 HG23 ILE A 39 -5.216 -6.603 12.166 1.00 0.01 H new ATOM 0 HD11 ILE A 39 -2.437 -3.708 12.446 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.952 -4.865 11.184 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -3.677 -4.534 11.472 1.00 0.00 H new ATOM 611 N ARG A 40 -4.646 -9.919 12.342 1.00 0.02 N ATOM 612 CA ARG A 40 -4.912 -11.177 11.585 1.00 0.02 C ATOM 613 C ARG A 40 -5.787 -10.815 10.387 1.00 0.01 C ATOM 614 O ARG A 40 -6.862 -10.270 10.550 1.00 0.02 O ATOM 615 CB ARG A 40 -5.647 -12.199 12.452 1.00 0.01 C ATOM 616 CG ARG A 40 -5.915 -13.467 11.638 1.00 0.02 C ATOM 617 CD ARG A 40 -6.400 -14.578 12.571 1.00 0.02 C ATOM 618 NE ARG A 40 -7.411 -14.026 13.518 1.00 0.02 N ATOM 619 CZ ARG A 40 -8.172 -14.831 14.208 1.00 0.02 C ATOM 620 NH1 ARG A 40 -8.048 -16.123 14.076 1.00 0.02 N ATOM 621 NH2 ARG A 40 -9.057 -14.341 15.033 1.00 0.02 N ATOM 0 H ARG A 40 -5.484 -9.413 12.629 1.00 0.02 H new ATOM 0 HA ARG A 40 -3.967 -11.621 11.272 1.00 0.02 H new ATOM 0 HB2 ARG A 40 -5.051 -12.439 13.332 1.00 0.01 H new ATOM 0 HB3 ARG A 40 -6.587 -11.779 12.809 1.00 0.01 H new ATOM 0 HG2 ARG A 40 -6.664 -13.268 10.871 1.00 0.02 H new ATOM 0 HG3 ARG A 40 -5.007 -13.780 11.123 1.00 0.02 H new ATOM 0 HD2 ARG A 40 -6.836 -15.391 11.990 1.00 0.02 H new ATOM 0 HD3 ARG A 40 -5.559 -14.997 13.124 1.00 0.02 H new ATOM 0 HE ARG A 40 -7.508 -13.016 13.627 1.00 0.02 H new ATOM 0 HH11 ARG A 40 -7.355 -16.506 13.433 1.00 0.02 H new ATOM 0 HH12 ARG A 40 -8.644 -16.750 14.616 1.00 0.02 H new ATOM 0 HH21 ARG A 40 -9.153 -13.331 15.137 1.00 0.02 H new ATOM 0 HH22 ARG A 40 -9.653 -14.968 15.573 1.00 0.02 H new ATOM 635 N VAL A 41 -5.381 -11.153 9.191 1.00 0.02 N ATOM 636 CA VAL A 41 -6.240 -10.870 8.004 1.00 0.01 C ATOM 637 C VAL A 41 -6.864 -12.196 7.594 1.00 0.02 C ATOM 638 O VAL A 41 -6.171 -13.101 7.175 1.00 0.02 O ATOM 639 CB VAL A 41 -5.403 -10.292 6.866 1.00 0.01 C ATOM 640 CG1 VAL A 41 -6.323 -9.920 5.703 1.00 0.02 C ATOM 641 CG2 VAL A 41 -4.693 -9.029 7.359 1.00 0.00 C ATOM 0 H VAL A 41 -4.494 -11.612 8.985 1.00 0.02 H new ATOM 0 HA VAL A 41 -7.009 -10.135 8.241 1.00 0.01 H new ATOM 0 HB VAL A 41 -4.670 -11.029 6.538 1.00 0.01 H new ATOM 0 HG11 VAL A 41 -5.730 -9.507 4.888 1.00 0.02 H new ATOM 0 HG12 VAL A 41 -6.848 -10.810 5.355 1.00 0.02 H new ATOM 0 HG13 VAL A 41 -7.049 -9.178 6.036 1.00 0.02 H new ATOM 0 HG21 VAL A 41 -4.093 -8.610 6.551 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.434 -8.296 7.678 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.046 -9.280 8.199 1.00 0.00 H new ATOM 651 N GLU A 42 -8.161 -12.328 7.731 1.00 0.01 N ATOM 652 CA GLU A 42 -8.825 -13.616 7.378 1.00 0.01 C ATOM 653 C GLU A 42 -9.083 -13.657 5.880 1.00 0.02 C ATOM 654 O GLU A 42 -9.018 -14.702 5.265 1.00 0.01 O ATOM 655 CB GLU A 42 -10.148 -13.745 8.146 1.00 0.99 C ATOM 656 CG GLU A 42 -10.554 -15.219 8.244 1.00 1.86 C ATOM 657 CD GLU A 42 -9.672 -15.920 9.279 1.00 3.10 C ATOM 658 OE1 GLU A 42 -9.528 -15.384 10.365 1.00 3.81 O ATOM 659 OE2 GLU A 42 -9.150 -16.978 8.965 1.00 3.67 O ATOM 0 H GLU A 42 -8.786 -11.598 8.072 1.00 0.01 H new ATOM 0 HA GLU A 42 -8.177 -14.448 7.652 1.00 0.01 H new ATOM 0 HB2 GLU A 42 -10.041 -13.321 9.145 1.00 0.99 H new ATOM 0 HB3 GLU A 42 -10.929 -13.177 7.640 1.00 0.99 H new ATOM 0 HG2 GLU A 42 -11.603 -15.301 8.528 1.00 1.86 H new ATOM 0 HG3 GLU A 42 -10.449 -15.702 7.273 1.00 1.86 H new ATOM 666 N GLY A 43 -9.379 -12.542 5.274 1.00 0.01 N ATOM 667 CA GLY A 43 -9.637 -12.571 3.808 1.00 0.02 C ATOM 668 C GLY A 43 -9.527 -11.168 3.224 1.00 0.02 C ATOM 669 O GLY A 43 -9.818 -10.194 3.885 1.00 0.02 O ATOM 0 H GLY A 43 -9.453 -11.628 5.720 1.00 0.01 H new ATOM 0 HA2 GLY A 43 -8.922 -13.233 3.319 1.00 0.02 H new ATOM 0 HA3 GLY A 43 -10.630 -12.976 3.615 1.00 0.02 H new ATOM 673 N GLY A 44 -9.124 -11.060 1.989 1.00 0.00 N ATOM 674 CA GLY A 44 -9.013 -9.715 1.365 1.00 0.01 C ATOM 675 C GLY A 44 -7.671 -9.074 1.724 1.00 0.01 C ATOM 676 O GLY A 44 -6.928 -9.572 2.547 1.00 0.01 O ATOM 0 H GLY A 44 -8.868 -11.843 1.387 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.105 -9.800 0.282 1.00 0.01 H new ATOM 0 HA3 GLY A 44 -9.830 -9.080 1.706 1.00 0.01 H new ATOM 680 N THR A 45 -7.390 -7.944 1.134 1.00 0.01 N ATOM 681 CA THR A 45 -6.127 -7.201 1.443 1.00 0.00 C ATOM 682 C THR A 45 -6.523 -5.837 2.004 1.00 0.01 C ATOM 683 O THR A 45 -7.446 -5.221 1.518 1.00 0.01 O ATOM 684 CB THR A 45 -5.309 -7.020 0.160 1.00 0.73 C ATOM 685 OG1 THR A 45 -4.798 -8.279 -0.255 1.00 0.88 O ATOM 686 CG2 THR A 45 -4.148 -6.057 0.417 1.00 1.48 C ATOM 0 H THR A 45 -7.988 -7.495 0.441 1.00 0.01 H new ATOM 0 HA THR A 45 -5.521 -7.750 2.164 1.00 0.00 H new ATOM 0 HB THR A 45 -5.949 -6.609 -0.621 1.00 0.73 H new ATOM 0 HG1 THR A 45 -4.276 -8.165 -1.077 1.00 0.88 H new ATOM 0 HG21 THR A 45 -3.570 -5.932 -0.498 1.00 1.48 H new ATOM 0 HG22 THR A 45 -4.540 -5.090 0.733 1.00 1.48 H new ATOM 0 HG23 THR A 45 -3.506 -6.462 1.199 1.00 1.48 H new ATOM 694 N TRP A 46 -5.896 -5.384 3.065 1.00 0.02 N ATOM 695 CA TRP A 46 -6.316 -4.083 3.688 1.00 0.01 C ATOM 696 C TRP A 46 -5.160 -3.087 3.784 1.00 0.01 C ATOM 697 O TRP A 46 -4.004 -3.440 3.908 1.00 0.01 O ATOM 698 CB TRP A 46 -6.818 -4.365 5.106 1.00 0.00 C ATOM 699 CG TRP A 46 -8.041 -5.221 5.049 1.00 0.01 C ATOM 700 CD1 TRP A 46 -8.081 -6.493 4.586 1.00 0.01 C ATOM 701 CD2 TRP A 46 -9.399 -4.896 5.469 1.00 0.01 C ATOM 702 NE1 TRP A 46 -9.376 -6.965 4.688 1.00 0.00 N ATOM 703 CE2 TRP A 46 -10.225 -6.018 5.229 1.00 0.01 C ATOM 704 CE3 TRP A 46 -9.986 -3.745 6.028 1.00 0.01 C ATOM 705 CZ2 TRP A 46 -11.587 -6.001 5.532 1.00 0.01 C ATOM 706 CZ3 TRP A 46 -11.356 -3.725 6.335 1.00 0.02 C ATOM 707 CH2 TRP A 46 -12.155 -4.851 6.089 1.00 0.01 C ATOM 0 H TRP A 46 -5.116 -5.854 3.525 1.00 0.02 H new ATOM 0 HA TRP A 46 -7.091 -3.646 3.058 1.00 0.01 H new ATOM 0 HB2 TRP A 46 -6.040 -4.864 5.684 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -7.042 -3.428 5.615 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -7.239 -7.048 4.200 1.00 0.01 H new ATOM 0 HE1 TRP A 46 -9.669 -7.898 4.399 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -9.379 -2.873 6.222 1.00 0.01 H new ATOM 0 HZ2 TRP A 46 -12.198 -6.870 5.338 1.00 0.01 H new ATOM 0 HZ3 TRP A 46 -11.797 -2.837 6.763 1.00 0.02 H new ATOM 0 HH2 TRP A 46 -13.208 -4.830 6.329 1.00 0.01 H new ATOM 718 N ALA A 47 -5.508 -1.827 3.792 1.00 0.01 N ATOM 719 CA ALA A 47 -4.504 -0.737 3.957 1.00 0.01 C ATOM 720 C ALA A 47 -4.750 -0.177 5.354 1.00 0.01 C ATOM 721 O ALA A 47 -5.871 0.101 5.728 1.00 0.01 O ATOM 722 CB ALA A 47 -4.717 0.347 2.897 1.00 0.24 C ATOM 0 H ALA A 47 -6.469 -1.502 3.689 1.00 0.01 H new ATOM 0 HA ALA A 47 -3.482 -1.098 3.838 1.00 0.01 H new ATOM 0 HB1 ALA A 47 -3.977 1.136 3.030 1.00 0.24 H new ATOM 0 HB2 ALA A 47 -4.608 -0.089 1.904 1.00 0.24 H new ATOM 0 HB3 ALA A 47 -5.718 0.767 3.002 1.00 0.24 H new ATOM 728 N VAL A 48 -3.705 0.012 6.119 1.00 0.01 N ATOM 729 CA VAL A 48 -3.858 0.580 7.493 1.00 0.02 C ATOM 730 C VAL A 48 -3.094 1.899 7.577 1.00 0.01 C ATOM 731 O VAL A 48 -2.036 2.039 6.998 1.00 0.01 O ATOM 732 CB VAL A 48 -3.306 -0.405 8.524 1.00 0.09 C ATOM 733 CG1 VAL A 48 -4.126 -1.696 8.486 1.00 0.48 C ATOM 734 CG2 VAL A 48 -1.844 -0.721 8.196 1.00 0.65 C ATOM 0 H VAL A 48 -2.746 -0.204 5.849 1.00 0.01 H new ATOM 0 HA VAL A 48 -4.913 0.755 7.701 1.00 0.02 H new ATOM 0 HB VAL A 48 -3.369 0.037 9.518 1.00 0.09 H new ATOM 0 HG11 VAL A 48 -3.733 -2.399 9.221 1.00 0.48 H new ATOM 0 HG12 VAL A 48 -5.167 -1.473 8.718 1.00 0.48 H new ATOM 0 HG13 VAL A 48 -4.063 -2.138 7.492 1.00 0.48 H new ATOM 0 HG21 VAL A 48 -1.450 -1.423 8.931 1.00 0.65 H new ATOM 0 HG22 VAL A 48 -1.782 -1.163 7.202 1.00 0.65 H new ATOM 0 HG23 VAL A 48 -1.258 0.198 8.222 1.00 0.65 H new ATOM 744 N TYR A 49 -3.625 2.867 8.282 1.00 0.01 N ATOM 745 CA TYR A 49 -2.936 4.193 8.396 1.00 0.01 C ATOM 746 C TYR A 49 -2.650 4.497 9.863 1.00 0.01 C ATOM 747 O TYR A 49 -3.370 4.104 10.760 1.00 0.02 O ATOM 748 CB TYR A 49 -3.831 5.278 7.801 1.00 0.01 C ATOM 749 CG TYR A 49 -3.999 5.018 6.322 1.00 0.00 C ATOM 750 CD1 TYR A 49 -4.874 4.016 5.883 1.00 0.01 C ATOM 751 CD2 TYR A 49 -3.283 5.779 5.389 1.00 0.01 C ATOM 752 CE1 TYR A 49 -5.032 3.776 4.514 1.00 0.01 C ATOM 753 CE2 TYR A 49 -3.442 5.538 4.019 1.00 0.01 C ATOM 754 CZ TYR A 49 -4.316 4.537 3.582 1.00 0.02 C ATOM 755 OH TYR A 49 -4.472 4.299 2.231 1.00 0.01 O ATOM 0 H TYR A 49 -4.509 2.797 8.786 1.00 0.01 H new ATOM 0 HA TYR A 49 -1.993 4.166 7.851 1.00 0.01 H new ATOM 0 HB2 TYR A 49 -4.802 5.279 8.296 1.00 0.01 H new ATOM 0 HB3 TYR A 49 -3.390 6.261 7.963 1.00 0.01 H new ATOM 0 HD1 TYR A 49 -5.427 3.429 6.601 1.00 0.01 H new ATOM 0 HD2 TYR A 49 -2.608 6.552 5.727 1.00 0.01 H new ATOM 0 HE1 TYR A 49 -5.707 3.003 4.176 1.00 0.01 H new ATOM 0 HE2 TYR A 49 -2.890 6.125 3.300 1.00 0.01 H new ATOM 0 HH TYR A 49 -4.103 5.050 1.722 1.00 0.01 H new ATOM 765 N GLU A 50 -1.553 5.163 10.096 1.00 0.01 N ATOM 766 CA GLU A 50 -1.120 5.480 11.482 1.00 0.01 C ATOM 767 C GLU A 50 -2.100 6.447 12.160 1.00 0.01 C ATOM 768 O GLU A 50 -2.325 6.354 13.350 1.00 0.02 O ATOM 769 CB GLU A 50 0.277 6.123 11.413 1.00 0.02 C ATOM 770 CG GLU A 50 1.038 5.888 12.730 1.00 0.01 C ATOM 771 CD GLU A 50 1.716 4.514 12.703 1.00 0.02 C ATOM 772 OE1 GLU A 50 1.036 3.545 12.407 1.00 0.01 O ATOM 773 OE2 GLU A 50 2.903 4.457 12.975 1.00 0.02 O ATOM 0 H GLU A 50 -0.927 5.507 9.368 1.00 0.01 H new ATOM 0 HA GLU A 50 -1.095 4.563 12.071 1.00 0.01 H new ATOM 0 HB2 GLU A 50 0.839 5.700 10.580 1.00 0.02 H new ATOM 0 HB3 GLU A 50 0.184 7.193 11.225 1.00 0.02 H new ATOM 0 HG2 GLU A 50 1.785 6.669 12.873 1.00 0.01 H new ATOM 0 HG3 GLU A 50 0.350 5.947 13.573 1.00 0.01 H new ATOM 780 N ARG A 51 -2.671 7.381 11.429 1.00 0.02 N ATOM 781 CA ARG A 51 -3.619 8.367 12.055 1.00 0.02 C ATOM 782 C ARG A 51 -4.977 8.300 11.318 1.00 0.01 C ATOM 783 O ARG A 51 -5.047 7.854 10.185 1.00 0.02 O ATOM 784 CB ARG A 51 -3.006 9.783 11.903 1.00 0.02 C ATOM 785 CG ARG A 51 -2.287 10.213 13.195 1.00 0.01 C ATOM 786 CD ARG A 51 -1.134 9.249 13.509 1.00 0.02 C ATOM 787 NE ARG A 51 -0.089 9.962 14.298 1.00 0.02 N ATOM 788 CZ ARG A 51 0.813 9.281 14.950 1.00 0.02 C ATOM 789 NH1 ARG A 51 0.785 7.977 14.934 1.00 0.02 N ATOM 790 NH2 ARG A 51 1.743 9.905 15.620 1.00 0.01 N ATOM 0 H ARG A 51 -2.522 7.503 10.427 1.00 0.02 H new ATOM 0 HA ARG A 51 -3.776 8.139 13.109 1.00 0.02 H new ATOM 0 HB2 ARG A 51 -2.302 9.791 11.071 1.00 0.02 H new ATOM 0 HB3 ARG A 51 -3.792 10.500 11.664 1.00 0.02 H new ATOM 0 HG2 ARG A 51 -1.903 11.227 13.085 1.00 0.01 H new ATOM 0 HG3 ARG A 51 -2.994 10.228 14.025 1.00 0.01 H new ATOM 0 HD2 ARG A 51 -1.506 8.391 14.070 1.00 0.02 H new ATOM 0 HD3 ARG A 51 -0.706 8.864 12.584 1.00 0.02 H new ATOM 0 HE ARG A 51 -0.079 10.982 14.328 1.00 0.02 H new ATOM 0 HH11 ARG A 51 0.058 7.489 14.411 1.00 0.02 H new ATOM 0 HH12 ARG A 51 1.491 7.445 15.444 1.00 0.02 H new ATOM 0 HH21 ARG A 51 1.765 10.925 15.634 1.00 0.01 H new ATOM 0 HH22 ARG A 51 2.448 9.373 16.130 1.00 0.01 H new ATOM 804 N PRO A 52 -6.052 8.744 11.957 1.00 0.02 N ATOM 805 CA PRO A 52 -7.407 8.712 11.328 1.00 0.02 C ATOM 806 C PRO A 52 -7.449 9.424 9.971 1.00 0.01 C ATOM 807 O PRO A 52 -6.546 10.143 9.591 1.00 0.02 O ATOM 808 CB PRO A 52 -8.292 9.429 12.373 1.00 0.02 C ATOM 809 CG PRO A 52 -7.385 9.939 13.510 1.00 0.01 C ATOM 810 CD PRO A 52 -5.994 9.308 13.339 1.00 0.01 C ATOM 0 HA PRO A 52 -7.735 7.697 11.102 1.00 0.02 H new ATOM 0 HB2 PRO A 52 -8.826 10.260 11.912 1.00 0.02 H new ATOM 0 HB3 PRO A 52 -9.045 8.745 12.766 1.00 0.02 H new ATOM 0 HG2 PRO A 52 -7.315 11.026 13.481 1.00 0.01 H new ATOM 0 HG3 PRO A 52 -7.806 9.673 14.480 1.00 0.01 H new ATOM 0 HD2 PRO A 52 -5.200 10.047 13.441 1.00 0.01 H new ATOM 0 HD3 PRO A 52 -5.807 8.534 14.084 1.00 0.01 H new ATOM 818 N ASN A 53 -8.533 9.228 9.268 1.00 0.02 N ATOM 819 CA ASN A 53 -8.734 9.882 7.946 1.00 0.02 C ATOM 820 C ASN A 53 -7.679 9.429 6.940 1.00 0.01 C ATOM 821 O ASN A 53 -7.225 10.186 6.106 1.00 0.01 O ATOM 822 CB ASN A 53 -8.676 11.403 8.116 1.00 0.01 C ATOM 823 CG ASN A 53 -9.222 12.075 6.854 1.00 0.02 C ATOM 824 OD1 ASN A 53 -10.416 12.236 6.706 1.00 0.02 O ATOM 825 ND2 ASN A 53 -8.389 12.477 5.931 1.00 0.01 N ATOM 0 H ASN A 53 -9.303 8.628 9.563 1.00 0.02 H new ATOM 0 HA ASN A 53 -9.712 9.591 7.561 1.00 0.02 H new ATOM 0 HB2 ASN A 53 -9.260 11.706 8.985 1.00 0.01 H new ATOM 0 HB3 ASN A 53 -7.649 11.721 8.296 1.00 0.01 H new ATOM 0 HD21 ASN A 53 -8.742 12.926 5.086 1.00 0.01 H new ATOM 0 HD22 ASN A 53 -7.386 12.342 6.056 1.00 0.01 H new ATOM 832 N PHE A 54 -7.315 8.176 7.003 1.00 0.02 N ATOM 833 CA PHE A 54 -6.318 7.623 6.048 1.00 0.01 C ATOM 834 C PHE A 54 -5.133 8.579 5.885 1.00 0.01 C ATOM 835 O PHE A 54 -4.759 8.947 4.790 1.00 0.02 O ATOM 836 CB PHE A 54 -7.006 7.386 4.694 1.00 1.78 C ATOM 837 CG PHE A 54 -8.450 6.978 4.921 1.00 2.32 C ATOM 838 CD1 PHE A 54 -8.743 5.792 5.608 1.00 2.53 C ATOM 839 CD2 PHE A 54 -9.492 7.788 4.449 1.00 2.77 C ATOM 840 CE1 PHE A 54 -10.077 5.417 5.819 1.00 3.03 C ATOM 841 CE2 PHE A 54 -10.823 7.412 4.662 1.00 3.32 C ATOM 842 CZ PHE A 54 -11.115 6.227 5.346 1.00 3.39 C ATOM 0 H PHE A 54 -7.672 7.506 7.685 1.00 0.02 H new ATOM 0 HA PHE A 54 -5.932 6.680 6.435 1.00 0.01 H new ATOM 0 HB2 PHE A 54 -6.964 8.292 4.090 1.00 1.78 H new ATOM 0 HB3 PHE A 54 -6.481 6.609 4.139 1.00 1.78 H new ATOM 0 HD1 PHE A 54 -7.942 5.168 5.974 1.00 2.53 H new ATOM 0 HD2 PHE A 54 -9.268 8.703 3.921 1.00 2.77 H new ATOM 0 HE1 PHE A 54 -10.304 4.502 6.347 1.00 3.03 H new ATOM 0 HE2 PHE A 54 -11.625 8.037 4.298 1.00 3.32 H new ATOM 0 HZ PHE A 54 -12.143 5.937 5.509 1.00 3.39 H new ATOM 852 N SER A 55 -4.549 8.980 6.990 1.00 0.02 N ATOM 853 CA SER A 55 -3.379 9.920 6.950 1.00 0.02 C ATOM 854 C SER A 55 -2.209 9.327 7.739 1.00 0.01 C ATOM 855 O SER A 55 -2.373 8.397 8.505 1.00 0.01 O ATOM 856 CB SER A 55 -3.787 11.252 7.578 1.00 1.90 C ATOM 857 OG SER A 55 -2.639 12.080 7.709 1.00 2.33 O ATOM 0 H SER A 55 -4.835 8.694 7.927 1.00 0.02 H new ATOM 0 HA SER A 55 -3.073 10.074 5.915 1.00 0.02 H new ATOM 0 HB2 SER A 55 -4.536 11.745 6.959 1.00 1.90 H new ATOM 0 HB3 SER A 55 -4.241 11.083 8.554 1.00 1.90 H new ATOM 0 HG SER A 55 -2.897 12.936 8.110 1.00 2.33 H new ATOM 863 N GLY A 56 -1.022 9.849 7.550 1.00 0.02 N ATOM 864 CA GLY A 56 0.166 9.310 8.275 1.00 0.02 C ATOM 865 C GLY A 56 0.771 8.152 7.476 1.00 0.02 C ATOM 866 O GLY A 56 0.525 8.012 6.294 1.00 0.00 O ATOM 0 H GLY A 56 -0.826 10.628 6.922 1.00 0.02 H new ATOM 0 HA2 GLY A 56 0.908 10.096 8.414 1.00 0.02 H new ATOM 0 HA3 GLY A 56 -0.125 8.967 9.268 1.00 0.02 H new ATOM 870 N HIS A 57 1.569 7.326 8.098 1.00 0.02 N ATOM 871 CA HIS A 57 2.191 6.193 7.352 1.00 0.02 C ATOM 872 C HIS A 57 1.107 5.207 6.920 1.00 0.01 C ATOM 873 O HIS A 57 0.219 4.889 7.684 1.00 0.01 O ATOM 874 CB HIS A 57 3.197 5.478 8.256 1.00 0.00 C ATOM 875 CG HIS A 57 4.096 6.494 8.904 1.00 0.01 C ATOM 876 ND1 HIS A 57 5.155 7.080 8.229 1.00 0.01 N ATOM 877 CD2 HIS A 57 4.104 7.038 10.162 1.00 0.01 C ATOM 878 CE1 HIS A 57 5.752 7.936 9.079 1.00 0.02 C ATOM 879 NE2 HIS A 57 5.151 7.949 10.272 1.00 0.01 N ATOM 0 H HIS A 57 1.816 7.386 9.086 1.00 0.02 H new ATOM 0 HA HIS A 57 2.703 6.579 6.470 1.00 0.02 H new ATOM 0 HB2 HIS A 57 2.672 4.902 9.018 1.00 0.00 H new ATOM 0 HB3 HIS A 57 3.788 4.772 7.673 1.00 0.00 H new ATOM 0 HD2 HIS A 57 3.404 6.797 10.949 1.00 0.01 H new ATOM 0 HE1 HIS A 57 6.612 8.539 8.827 1.00 0.02 H new ATOM 0 HE2 HIS A 57 5.405 8.506 11.088 1.00 0.01 H new ATOM 887 N MET A 58 1.182 4.713 5.704 1.00 0.02 N ATOM 888 CA MET A 58 0.163 3.729 5.209 1.00 0.02 C ATOM 889 C MET A 58 0.862 2.413 4.850 1.00 0.01 C ATOM 890 O MET A 58 1.925 2.401 4.261 1.00 0.01 O ATOM 891 CB MET A 58 -0.542 4.304 3.974 1.00 2.61 C ATOM 892 CG MET A 58 0.407 4.298 2.776 1.00 3.46 C ATOM 893 SD MET A 58 -0.262 5.360 1.471 1.00 4.50 S ATOM 894 CE MET A 58 -1.359 4.133 0.716 1.00 5.01 C ATOM 0 H MET A 58 1.910 4.951 5.030 1.00 0.02 H new ATOM 0 HA MET A 58 -0.577 3.540 5.987 1.00 0.02 H new ATOM 0 HB2 MET A 58 -1.431 3.716 3.746 1.00 2.61 H new ATOM 0 HB3 MET A 58 -0.877 5.321 4.177 1.00 2.61 H new ATOM 0 HG2 MET A 58 1.393 4.652 3.078 1.00 3.46 H new ATOM 0 HG3 MET A 58 0.533 3.281 2.403 1.00 3.46 H new ATOM 0 HE1 MET A 58 -1.985 4.617 -0.033 1.00 5.01 H new ATOM 0 HE2 MET A 58 -0.762 3.354 0.242 1.00 5.01 H new ATOM 0 HE3 MET A 58 -1.991 3.688 1.485 1.00 5.01 H new ATOM 904 N TYR A 59 0.270 1.305 5.216 1.00 0.02 N ATOM 905 CA TYR A 59 0.878 -0.034 4.923 1.00 0.01 C ATOM 906 C TYR A 59 -0.188 -0.959 4.322 1.00 0.01 C ATOM 907 O TYR A 59 -1.321 -0.991 4.756 1.00 0.02 O ATOM 908 CB TYR A 59 1.390 -0.646 6.230 1.00 0.01 C ATOM 909 CG TYR A 59 2.676 0.034 6.640 1.00 0.01 C ATOM 910 CD1 TYR A 59 3.901 -0.430 6.144 1.00 0.01 C ATOM 911 CD2 TYR A 59 2.644 1.125 7.517 1.00 0.01 C ATOM 912 CE1 TYR A 59 5.094 0.198 6.526 1.00 0.02 C ATOM 913 CE2 TYR A 59 3.837 1.753 7.899 1.00 0.01 C ATOM 914 CZ TYR A 59 5.062 1.289 7.403 1.00 0.01 C ATOM 915 OH TYR A 59 6.238 1.907 7.780 1.00 0.01 O ATOM 0 H TYR A 59 -0.621 1.268 5.712 1.00 0.02 H new ATOM 0 HA TYR A 59 1.700 0.084 4.217 1.00 0.01 H new ATOM 0 HB2 TYR A 59 0.641 -0.533 7.014 1.00 0.01 H new ATOM 0 HB3 TYR A 59 1.557 -1.715 6.101 1.00 0.01 H new ATOM 0 HD1 TYR A 59 3.926 -1.271 5.467 1.00 0.01 H new ATOM 0 HD2 TYR A 59 1.699 1.483 7.899 1.00 0.01 H new ATOM 0 HE1 TYR A 59 6.039 -0.160 6.144 1.00 0.02 H new ATOM 0 HE2 TYR A 59 3.812 2.594 8.576 1.00 0.01 H new ATOM 0 HH TYR A 59 6.038 2.647 8.391 1.00 0.01 H new ATOM 925 N ILE A 60 0.187 -1.722 3.324 1.00 0.02 N ATOM 926 CA ILE A 60 -0.771 -2.673 2.676 1.00 0.01 C ATOM 927 C ILE A 60 -0.583 -4.062 3.297 1.00 0.01 C ATOM 928 O ILE A 60 0.530 -4.530 3.438 1.00 0.01 O ATOM 929 CB ILE A 60 -0.486 -2.740 1.173 1.00 0.45 C ATOM 930 CG1 ILE A 60 -0.206 -1.331 0.634 1.00 1.35 C ATOM 931 CG2 ILE A 60 -1.694 -3.334 0.444 1.00 1.21 C ATOM 932 CD1 ILE A 60 -1.338 -0.380 1.032 1.00 1.72 C ATOM 0 H ILE A 60 1.126 -1.727 2.926 1.00 0.02 H new ATOM 0 HA ILE A 60 -1.795 -2.333 2.831 1.00 0.01 H new ATOM 0 HB ILE A 60 0.386 -3.372 1.004 1.00 0.45 H new ATOM 0 HG12 ILE A 60 0.742 -0.965 1.027 1.00 1.35 H new ATOM 0 HG13 ILE A 60 -0.111 -1.361 -0.451 1.00 1.35 H new ATOM 0 HG21 ILE A 60 -1.487 -3.380 -0.625 1.00 1.21 H new ATOM 0 HG22 ILE A 60 -1.888 -4.339 0.820 1.00 1.21 H new ATOM 0 HG23 ILE A 60 -2.568 -2.707 0.618 1.00 1.21 H new ATOM 0 HD11 ILE A 60 -1.129 0.617 0.644 1.00 1.72 H new ATOM 0 HD12 ILE A 60 -2.279 -0.741 0.617 1.00 1.72 H new ATOM 0 HD13 ILE A 60 -1.413 -0.338 2.119 1.00 1.72 H new ATOM 944 N LEU A 61 -1.654 -4.720 3.684 1.00 0.01 N ATOM 945 CA LEU A 61 -1.523 -6.080 4.314 1.00 0.01 C ATOM 946 C LEU A 61 -2.307 -7.139 3.501 1.00 0.01 C ATOM 947 O LEU A 61 -3.521 -7.141 3.530 1.00 0.00 O ATOM 948 CB LEU A 61 -2.110 -6.020 5.739 1.00 0.01 C ATOM 949 CG LEU A 61 -1.049 -5.532 6.742 1.00 0.02 C ATOM 950 CD1 LEU A 61 -1.714 -5.347 8.109 1.00 0.01 C ATOM 951 CD2 LEU A 61 0.102 -6.559 6.859 1.00 0.01 C ATOM 0 H LEU A 61 -2.610 -4.377 3.592 1.00 0.01 H new ATOM 0 HA LEU A 61 -0.470 -6.360 4.336 1.00 0.01 H new ATOM 0 HB2 LEU A 61 -2.970 -5.350 5.756 1.00 0.01 H new ATOM 0 HB3 LEU A 61 -2.469 -7.007 6.032 1.00 0.01 H new ATOM 0 HG LEU A 61 -0.632 -4.587 6.394 1.00 0.02 H new ATOM 0 HD11 LEU A 61 -0.973 -5.001 8.830 1.00 0.01 H new ATOM 0 HD12 LEU A 61 -2.513 -4.610 8.028 1.00 0.01 H new ATOM 0 HD13 LEU A 61 -2.129 -6.298 8.443 1.00 0.01 H new ATOM 0 HD21 LEU A 61 0.842 -6.196 7.572 1.00 0.01 H new ATOM 0 HD22 LEU A 61 -0.296 -7.514 7.203 1.00 0.01 H new ATOM 0 HD23 LEU A 61 0.572 -6.691 5.884 1.00 0.01 H new ATOM 963 N PRO A 62 -1.647 -8.064 2.812 1.00 0.02 N ATOM 964 CA PRO A 62 -2.389 -9.117 2.070 1.00 0.01 C ATOM 965 C PRO A 62 -2.939 -10.164 3.053 1.00 0.00 C ATOM 966 O PRO A 62 -2.613 -10.152 4.223 1.00 0.02 O ATOM 967 CB PRO A 62 -1.305 -9.712 1.152 1.00 1.47 C ATOM 968 CG PRO A 62 0.070 -9.252 1.678 1.00 1.29 C ATOM 969 CD PRO A 62 -0.156 -8.132 2.713 1.00 0.82 C ATOM 0 HA PRO A 62 -3.253 -8.750 1.516 1.00 0.01 H new ATOM 0 HB2 PRO A 62 -1.366 -10.800 1.146 1.00 1.47 H new ATOM 0 HB3 PRO A 62 -1.451 -9.379 0.124 1.00 1.47 H new ATOM 0 HG2 PRO A 62 0.601 -10.088 2.133 1.00 1.29 H new ATOM 0 HG3 PRO A 62 0.689 -8.891 0.857 1.00 1.29 H new ATOM 0 HD2 PRO A 62 0.302 -8.371 3.673 1.00 0.82 H new ATOM 0 HD3 PRO A 62 0.271 -7.185 2.383 1.00 0.82 H new ATOM 977 N GLN A 63 -3.769 -11.057 2.596 1.00 0.02 N ATOM 978 CA GLN A 63 -4.340 -12.093 3.506 1.00 0.00 C ATOM 979 C GLN A 63 -3.218 -12.782 4.298 1.00 0.00 C ATOM 980 O GLN A 63 -2.175 -13.095 3.758 1.00 0.02 O ATOM 981 CB GLN A 63 -5.082 -13.122 2.627 1.00 1.27 C ATOM 982 CG GLN A 63 -5.305 -14.444 3.374 1.00 1.67 C ATOM 983 CD GLN A 63 -5.934 -14.155 4.728 1.00 2.43 C ATOM 984 OE1 GLN A 63 -5.699 -14.865 5.687 1.00 4.25 O ATOM 985 NE2 GLN A 63 -6.734 -13.137 4.845 1.00 3.04 N ATOM 0 H GLN A 63 -4.080 -11.116 1.626 1.00 0.02 H new ATOM 0 HA GLN A 63 -5.023 -11.638 4.223 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -6.043 -12.711 2.317 1.00 1.27 H new ATOM 0 HB3 GLN A 63 -4.508 -13.308 1.720 1.00 1.27 H new ATOM 0 HG2 GLN A 63 -5.952 -15.100 2.792 1.00 1.67 H new ATOM 0 HG3 GLN A 63 -4.357 -14.966 3.504 1.00 1.67 H new ATOM 0 HE21 GLN A 63 -6.927 -12.545 4.037 1.00 3.04 H new ATOM 0 HE22 GLN A 63 -7.168 -12.930 5.745 1.00 3.04 H new ATOM 994 N GLY A 64 -3.417 -13.040 5.573 1.00 0.02 N ATOM 995 CA GLY A 64 -2.342 -13.725 6.350 1.00 0.01 C ATOM 996 C GLY A 64 -2.470 -13.420 7.844 1.00 0.02 C ATOM 997 O GLY A 64 -3.364 -12.724 8.281 1.00 0.02 O ATOM 0 H GLY A 64 -4.262 -12.809 6.096 1.00 0.02 H new ATOM 0 HA2 GLY A 64 -2.400 -14.801 6.188 1.00 0.01 H new ATOM 0 HA3 GLY A 64 -1.365 -13.401 5.991 1.00 0.01 H new ATOM 1001 N GLU A 65 -1.570 -13.953 8.631 1.00 0.02 N ATOM 1002 CA GLU A 65 -1.602 -13.725 10.111 1.00 0.02 C ATOM 1003 C GLU A 65 -0.316 -13.025 10.546 1.00 0.02 C ATOM 1004 O GLU A 65 0.779 -13.440 10.218 1.00 0.02 O ATOM 1005 CB GLU A 65 -1.701 -15.076 10.823 1.00 0.77 C ATOM 1006 CG GLU A 65 -1.826 -14.852 12.331 1.00 0.49 C ATOM 1007 CD GLU A 65 -2.163 -16.175 13.020 1.00 0.67 C ATOM 1008 OE1 GLU A 65 -3.340 -16.465 13.158 1.00 0.71 O ATOM 1009 OE2 GLU A 65 -1.239 -16.876 13.398 1.00 0.96 O ATOM 0 H GLU A 65 -0.804 -14.544 8.308 1.00 0.02 H new ATOM 0 HA GLU A 65 -2.461 -13.105 10.367 1.00 0.02 H new ATOM 0 HB2 GLU A 65 -2.564 -15.630 10.455 1.00 0.77 H new ATOM 0 HB3 GLU A 65 -0.819 -15.678 10.606 1.00 0.77 H new ATOM 0 HG2 GLU A 65 -0.893 -14.451 12.728 1.00 0.49 H new ATOM 0 HG3 GLU A 65 -2.603 -14.115 12.536 1.00 0.49 H new ATOM 1016 N TYR A 66 -0.453 -11.970 11.308 1.00 0.02 N ATOM 1017 CA TYR A 66 0.731 -11.218 11.817 1.00 0.02 C ATOM 1018 C TYR A 66 0.671 -11.238 13.358 1.00 0.02 C ATOM 1019 O TYR A 66 0.003 -10.416 13.957 1.00 0.02 O ATOM 1020 CB TYR A 66 0.633 -9.776 11.309 1.00 0.01 C ATOM 1021 CG TYR A 66 0.710 -9.789 9.801 1.00 0.02 C ATOM 1022 CD1 TYR A 66 -0.457 -9.928 9.040 1.00 0.02 C ATOM 1023 CD2 TYR A 66 1.950 -9.676 9.162 1.00 0.01 C ATOM 1024 CE1 TYR A 66 -0.384 -9.953 7.643 1.00 0.02 C ATOM 1025 CE2 TYR A 66 2.024 -9.702 7.764 1.00 0.02 C ATOM 1026 CZ TYR A 66 0.858 -9.841 7.005 1.00 0.02 C ATOM 1027 OH TYR A 66 0.929 -9.865 5.628 1.00 0.01 O ATOM 0 H TYR A 66 -1.353 -11.592 11.604 1.00 0.02 H new ATOM 0 HA TYR A 66 1.667 -11.661 11.476 1.00 0.02 H new ATOM 0 HB2 TYR A 66 -0.303 -9.323 11.636 1.00 0.01 H new ATOM 0 HB3 TYR A 66 1.441 -9.173 11.724 1.00 0.01 H new ATOM 0 HD1 TYR A 66 -1.414 -10.016 9.532 1.00 0.02 H new ATOM 0 HD2 TYR A 66 2.851 -9.569 9.748 1.00 0.01 H new ATOM 0 HE1 TYR A 66 -1.285 -10.059 7.057 1.00 0.02 H new ATOM 0 HE2 TYR A 66 2.981 -9.615 7.272 1.00 0.02 H new ATOM 0 HH TYR A 66 1.864 -9.775 5.347 1.00 0.01 H new ATOM 1037 N PRO A 67 1.336 -12.177 14.009 1.00 0.01 N ATOM 1038 CA PRO A 67 1.286 -12.255 15.497 1.00 0.02 C ATOM 1039 C PRO A 67 1.964 -11.069 16.202 1.00 0.02 C ATOM 1040 O PRO A 67 1.906 -10.958 17.407 1.00 0.02 O ATOM 1041 CB PRO A 67 2.017 -13.584 15.799 1.00 0.02 C ATOM 1042 CG PRO A 67 2.486 -14.201 14.465 1.00 0.02 C ATOM 1043 CD PRO A 67 2.157 -13.218 13.327 1.00 0.01 C ATOM 0 HA PRO A 67 0.262 -12.217 15.869 1.00 0.02 H new ATOM 0 HB2 PRO A 67 2.870 -13.406 16.454 1.00 0.02 H new ATOM 0 HB3 PRO A 67 1.352 -14.272 16.321 1.00 0.02 H new ATOM 0 HG2 PRO A 67 3.557 -14.399 14.496 1.00 0.02 H new ATOM 0 HG3 PRO A 67 1.990 -15.156 14.295 1.00 0.02 H new ATOM 0 HD2 PRO A 67 3.059 -12.795 12.886 1.00 0.01 H new ATOM 0 HD3 PRO A 67 1.606 -13.703 12.522 1.00 0.01 H new ATOM 1051 N GLU A 68 2.583 -10.174 15.478 1.00 0.01 N ATOM 1052 CA GLU A 68 3.233 -9.002 16.144 1.00 0.01 C ATOM 1053 C GLU A 68 3.308 -7.863 15.128 1.00 0.03 C ATOM 1054 O GLU A 68 3.291 -8.067 13.933 1.00 0.02 O ATOM 1055 CB GLU A 68 4.668 -9.353 16.570 1.00 0.69 C ATOM 1056 CG GLU A 68 4.677 -10.570 17.498 1.00 1.09 C ATOM 1057 CD GLU A 68 6.081 -10.749 18.079 1.00 1.35 C ATOM 1058 OE1 GLU A 68 6.996 -10.971 17.304 1.00 1.55 O ATOM 1059 OE2 GLU A 68 6.216 -10.663 19.289 1.00 2.02 O ATOM 0 H GLU A 68 2.668 -10.201 14.462 1.00 0.01 H new ATOM 0 HA GLU A 68 2.654 -8.721 17.024 1.00 0.01 H new ATOM 0 HB2 GLU A 68 5.274 -9.558 15.688 1.00 0.69 H new ATOM 0 HB3 GLU A 68 5.121 -8.500 17.076 1.00 0.69 H new ATOM 0 HG2 GLU A 68 3.953 -10.435 18.301 1.00 1.09 H new ATOM 0 HG3 GLU A 68 4.381 -11.464 16.948 1.00 1.09 H new ATOM 1066 N TYR A 69 3.349 -6.654 15.612 1.00 0.02 N ATOM 1067 CA TYR A 69 3.372 -5.488 14.692 1.00 0.02 C ATOM 1068 C TYR A 69 4.609 -5.512 13.791 1.00 0.01 C ATOM 1069 O TYR A 69 4.544 -5.173 12.628 1.00 0.01 O ATOM 1070 CB TYR A 69 3.300 -4.187 15.499 1.00 0.02 C ATOM 1071 CG TYR A 69 4.538 -4.031 16.353 1.00 0.02 C ATOM 1072 CD1 TYR A 69 4.656 -4.742 17.553 1.00 0.02 C ATOM 1073 CD2 TYR A 69 5.564 -3.165 15.950 1.00 0.02 C ATOM 1074 CE1 TYR A 69 5.798 -4.589 18.349 1.00 0.02 C ATOM 1075 CE2 TYR A 69 6.707 -3.013 16.746 1.00 0.02 C ATOM 1076 CZ TYR A 69 6.823 -3.725 17.946 1.00 0.02 C ATOM 1077 OH TYR A 69 7.949 -3.575 18.732 1.00 0.01 O ATOM 0 H TYR A 69 3.368 -6.424 16.606 1.00 0.02 H new ATOM 0 HA TYR A 69 2.500 -5.544 14.040 1.00 0.02 H new ATOM 0 HB2 TYR A 69 3.206 -3.337 14.824 1.00 0.02 H new ATOM 0 HB3 TYR A 69 2.412 -4.192 16.131 1.00 0.02 H new ATOM 0 HD1 TYR A 69 3.866 -5.409 17.865 1.00 0.02 H new ATOM 0 HD2 TYR A 69 5.473 -2.615 15.025 1.00 0.02 H new ATOM 0 HE1 TYR A 69 5.888 -5.138 19.275 1.00 0.02 H new ATOM 0 HE2 TYR A 69 7.498 -2.347 16.434 1.00 0.02 H new ATOM 0 HH TYR A 69 8.562 -2.940 18.307 1.00 0.01 H new ATOM 1087 N GLN A 70 5.740 -5.906 14.318 1.00 0.01 N ATOM 1088 CA GLN A 70 6.981 -5.954 13.489 1.00 0.02 C ATOM 1089 C GLN A 70 6.790 -6.917 12.312 1.00 0.01 C ATOM 1090 O GLN A 70 7.430 -6.803 11.286 1.00 0.02 O ATOM 1091 CB GLN A 70 8.149 -6.451 14.349 1.00 0.01 C ATOM 1092 CG GLN A 70 8.274 -5.599 15.616 1.00 0.01 C ATOM 1093 CD GLN A 70 8.885 -4.239 15.267 1.00 0.02 C ATOM 1094 OE1 GLN A 70 8.306 -3.468 14.530 1.00 0.01 O ATOM 1095 NE2 GLN A 70 10.041 -3.910 15.775 1.00 0.02 N ATOM 0 H GLN A 70 5.857 -6.197 15.289 1.00 0.01 H new ATOM 0 HA GLN A 70 7.192 -4.954 13.111 1.00 0.02 H new ATOM 0 HB2 GLN A 70 7.993 -7.496 14.618 1.00 0.01 H new ATOM 0 HB3 GLN A 70 9.076 -6.404 13.778 1.00 0.01 H new ATOM 0 HG2 GLN A 70 7.293 -5.461 16.071 1.00 0.01 H new ATOM 0 HG3 GLN A 70 8.897 -6.111 16.350 1.00 0.01 H new ATOM 0 HE21 GLN A 70 10.529 -4.557 16.395 1.00 0.02 H new ATOM 0 HE22 GLN A 70 10.457 -3.006 15.553 1.00 0.02 H new ATOM 1104 N ARG A 71 5.893 -7.860 12.458 1.00 0.01 N ATOM 1105 CA ARG A 71 5.638 -8.829 11.351 1.00 0.02 C ATOM 1106 C ARG A 71 4.943 -8.084 10.212 1.00 0.01 C ATOM 1107 O ARG A 71 4.903 -8.526 9.081 1.00 0.02 O ATOM 1108 CB ARG A 71 4.747 -9.973 11.849 1.00 0.34 C ATOM 1109 CG ARG A 71 4.825 -11.160 10.872 1.00 0.72 C ATOM 1110 CD ARG A 71 6.095 -12.002 11.137 1.00 1.04 C ATOM 1111 NE ARG A 71 6.754 -12.348 9.837 1.00 1.67 N ATOM 1112 CZ ARG A 71 6.064 -12.813 8.825 1.00 2.47 C ATOM 1113 NH1 ARG A 71 4.798 -13.096 8.962 1.00 2.54 N ATOM 1114 NH2 ARG A 71 6.655 -13.027 7.681 1.00 3.42 N ATOM 0 H ARG A 71 5.327 -8.000 13.295 1.00 0.01 H new ATOM 0 HA ARG A 71 6.579 -9.254 11.002 1.00 0.02 H new ATOM 0 HB2 ARG A 71 5.065 -10.287 12.843 1.00 0.34 H new ATOM 0 HB3 ARG A 71 3.716 -9.631 11.938 1.00 0.34 H new ATOM 0 HG2 ARG A 71 3.939 -11.785 10.980 1.00 0.72 H new ATOM 0 HG3 ARG A 71 4.833 -10.793 9.846 1.00 0.72 H new ATOM 0 HD2 ARG A 71 6.787 -11.445 11.769 1.00 1.04 H new ATOM 0 HD3 ARG A 71 5.833 -12.912 11.676 1.00 1.04 H new ATOM 0 HE ARG A 71 7.761 -12.219 9.738 1.00 1.67 H new ATOM 0 HH11 ARG A 71 4.338 -12.956 9.862 1.00 2.54 H new ATOM 0 HH12 ARG A 71 4.268 -13.458 8.169 1.00 2.54 H new ATOM 0 HH21 ARG A 71 7.651 -12.832 7.577 1.00 3.42 H new ATOM 0 HH22 ARG A 71 6.121 -13.389 6.891 1.00 3.42 H new ATOM 1128 N TRP A 72 4.394 -6.946 10.532 1.00 0.02 N ATOM 1129 CA TRP A 72 3.679 -6.107 9.530 1.00 0.01 C ATOM 1130 C TRP A 72 4.578 -4.902 9.222 1.00 0.01 C ATOM 1131 O TRP A 72 4.185 -3.953 8.575 1.00 0.02 O ATOM 1132 CB TRP A 72 2.332 -5.695 10.175 1.00 0.02 C ATOM 1133 CG TRP A 72 1.881 -4.332 9.748 1.00 0.01 C ATOM 1134 CD1 TRP A 72 1.606 -3.959 8.479 1.00 0.01 C ATOM 1135 CD2 TRP A 72 1.628 -3.167 10.583 1.00 0.02 C ATOM 1136 NE1 TRP A 72 1.214 -2.632 8.481 1.00 0.02 N ATOM 1137 CE2 TRP A 72 1.211 -2.100 9.756 1.00 0.02 C ATOM 1138 CE3 TRP A 72 1.724 -2.934 11.967 1.00 0.01 C ATOM 1139 CZ2 TRP A 72 0.901 -0.845 10.282 1.00 0.02 C ATOM 1140 CZ3 TRP A 72 1.412 -1.675 12.501 1.00 0.02 C ATOM 1141 CH2 TRP A 72 1.003 -0.631 11.661 1.00 0.02 C ATOM 0 H TRP A 72 4.412 -6.552 11.473 1.00 0.02 H new ATOM 0 HA TRP A 72 3.472 -6.622 8.592 1.00 0.01 H new ATOM 0 HB2 TRP A 72 1.568 -6.426 9.910 1.00 0.02 H new ATOM 0 HB3 TRP A 72 2.431 -5.717 11.260 1.00 0.02 H new ATOM 0 HD1 TRP A 72 1.680 -4.592 7.607 1.00 0.01 H new ATOM 0 HE1 TRP A 72 0.958 -2.110 7.643 1.00 0.02 H new ATOM 0 HE3 TRP A 72 2.040 -3.731 12.624 1.00 0.01 H new ATOM 0 HZ2 TRP A 72 0.585 -0.045 9.629 1.00 0.02 H new ATOM 0 HZ3 TRP A 72 1.487 -1.510 13.566 1.00 0.02 H new ATOM 0 HH2 TRP A 72 0.767 0.337 12.077 1.00 0.02 H new ATOM 1152 N MET A 73 5.793 -4.953 9.693 1.00 0.02 N ATOM 1153 CA MET A 73 6.760 -3.841 9.457 1.00 0.02 C ATOM 1154 C MET A 73 6.208 -2.530 10.032 1.00 0.01 C ATOM 1155 O MET A 73 6.598 -1.448 9.641 1.00 0.02 O ATOM 1156 CB MET A 73 7.023 -3.679 7.951 1.00 0.02 C ATOM 1157 CG MET A 73 7.442 -5.025 7.337 1.00 0.01 C ATOM 1158 SD MET A 73 5.968 -5.955 6.846 1.00 0.01 S ATOM 1159 CE MET A 73 5.833 -5.299 5.164 1.00 0.01 C ATOM 0 H MET A 73 6.164 -5.730 10.240 1.00 0.02 H new ATOM 0 HA MET A 73 7.698 -4.082 9.958 1.00 0.02 H new ATOM 0 HB2 MET A 73 6.126 -3.309 7.456 1.00 0.02 H new ATOM 0 HB3 MET A 73 7.806 -2.938 7.789 1.00 0.02 H new ATOM 0 HG2 MET A 73 8.083 -4.857 6.472 1.00 0.01 H new ATOM 0 HG3 MET A 73 8.023 -5.600 8.058 1.00 0.01 H new ATOM 0 HE1 MET A 73 4.972 -5.747 4.667 1.00 0.01 H new ATOM 0 HE2 MET A 73 5.706 -4.217 5.204 1.00 0.01 H new ATOM 0 HE3 MET A 73 6.739 -5.538 4.607 1.00 0.01 H new ATOM 1169 N GLY A 74 5.299 -2.634 10.964 1.00 0.02 N ATOM 1170 CA GLY A 74 4.714 -1.413 11.576 1.00 0.02 C ATOM 1171 C GLY A 74 5.822 -0.596 12.229 1.00 0.01 C ATOM 1172 O GLY A 74 6.745 -1.137 12.807 1.00 0.01 O ATOM 0 H GLY A 74 4.937 -3.516 11.327 1.00 0.02 H new ATOM 0 HA2 GLY A 74 4.208 -0.818 10.816 1.00 0.02 H new ATOM 0 HA3 GLY A 74 3.964 -1.688 12.318 1.00 0.02 H new ATOM 1176 N LEU A 75 5.725 0.703 12.183 1.00 0.02 N ATOM 1177 CA LEU A 75 6.759 1.541 12.851 1.00 0.02 C ATOM 1178 C LEU A 75 6.455 1.543 14.354 1.00 0.01 C ATOM 1179 O LEU A 75 7.341 1.628 15.182 1.00 0.02 O ATOM 1180 CB LEU A 75 6.713 2.972 12.294 1.00 0.55 C ATOM 1181 CG LEU A 75 7.908 3.794 12.824 1.00 0.58 C ATOM 1182 CD1 LEU A 75 9.131 3.598 11.918 1.00 0.98 C ATOM 1183 CD2 LEU A 75 7.543 5.283 12.847 1.00 0.42 C ATOM 0 H LEU A 75 4.979 1.218 11.715 1.00 0.02 H new ATOM 0 HA LEU A 75 7.756 1.141 12.668 1.00 0.02 H new ATOM 0 HB2 LEU A 75 6.736 2.946 11.205 1.00 0.55 H new ATOM 0 HB3 LEU A 75 5.777 3.451 12.582 1.00 0.55 H new ATOM 0 HG LEU A 75 8.144 3.453 13.832 1.00 0.58 H new ATOM 0 HD11 LEU A 75 9.966 4.183 12.303 1.00 0.98 H new ATOM 0 HD12 LEU A 75 9.405 2.543 11.899 1.00 0.98 H new ATOM 0 HD13 LEU A 75 8.892 3.929 10.907 1.00 0.98 H new ATOM 0 HD21 LEU A 75 8.389 5.859 13.222 1.00 0.42 H new ATOM 0 HD22 LEU A 75 7.298 5.613 11.838 1.00 0.42 H new ATOM 0 HD23 LEU A 75 6.683 5.437 13.498 1.00 0.42 H new ATOM 1195 N ASN A 76 5.199 1.419 14.704 1.00 0.01 N ATOM 1196 CA ASN A 76 4.780 1.375 16.129 1.00 0.02 C ATOM 1197 C ASN A 76 3.412 0.687 16.160 1.00 0.02 C ATOM 1198 O ASN A 76 2.969 0.156 15.160 1.00 0.02 O ATOM 1199 CB ASN A 76 4.670 2.798 16.682 1.00 0.02 C ATOM 1200 CG ASN A 76 3.583 3.561 15.921 1.00 0.02 C ATOM 1201 OD1 ASN A 76 3.259 4.680 16.264 1.00 0.01 O ATOM 1202 ND2 ASN A 76 3.003 3.000 14.897 1.00 0.02 N ATOM 0 H ASN A 76 4.430 1.345 14.039 1.00 0.01 H new ATOM 0 HA ASN A 76 5.503 0.835 16.740 1.00 0.02 H new ATOM 0 HB2 ASN A 76 4.431 2.769 17.745 1.00 0.02 H new ATOM 0 HB3 ASN A 76 5.626 3.312 16.584 1.00 0.02 H new ATOM 0 HD21 ASN A 76 2.277 3.501 14.384 1.00 0.02 H new ATOM 0 HD22 ASN A 76 3.275 2.060 14.609 1.00 0.02 H new ATOM 1209 N ASP A 77 2.734 0.674 17.279 1.00 0.01 N ATOM 1210 CA ASP A 77 1.397 -0.004 17.333 1.00 0.01 C ATOM 1211 C ASP A 77 0.271 1.023 17.181 1.00 0.01 C ATOM 1212 O ASP A 77 -0.816 0.834 17.696 1.00 0.01 O ATOM 1213 CB ASP A 77 1.243 -0.701 18.687 1.00 0.01 C ATOM 1214 CG ASP A 77 1.487 0.308 19.811 1.00 0.01 C ATOM 1215 OD1 ASP A 77 2.399 1.107 19.676 1.00 0.02 O ATOM 1216 OD2 ASP A 77 0.756 0.266 20.786 1.00 0.01 O ATOM 0 H ASP A 77 3.043 1.099 18.153 1.00 0.01 H new ATOM 0 HA ASP A 77 1.337 -0.728 16.520 1.00 0.01 H new ATOM 0 HB2 ASP A 77 0.244 -1.127 18.777 1.00 0.01 H new ATOM 0 HB3 ASP A 77 1.950 -1.527 18.765 1.00 0.01 H new ATOM 1221 N ARG A 78 0.511 2.120 16.499 1.00 0.01 N ATOM 1222 CA ARG A 78 -0.556 3.160 16.348 1.00 0.01 C ATOM 1223 C ARG A 78 -1.283 3.012 15.008 1.00 0.02 C ATOM 1224 O ARG A 78 -0.687 3.073 13.952 1.00 0.02 O ATOM 1225 CB ARG A 78 0.071 4.551 16.447 1.00 0.43 C ATOM 1226 CG ARG A 78 0.871 4.654 17.754 1.00 0.80 C ATOM 1227 CD ARG A 78 -0.069 4.539 18.974 1.00 1.00 C ATOM 1228 NE ARG A 78 0.361 5.510 20.029 1.00 1.30 N ATOM 1229 CZ ARG A 78 1.613 5.601 20.393 1.00 2.30 C ATOM 1230 NH1 ARG A 78 2.493 4.741 19.960 1.00 2.72 N ATOM 1231 NH2 ARG A 78 1.976 6.531 21.233 1.00 3.20 N ATOM 0 H ARG A 78 1.397 2.338 16.042 1.00 0.01 H new ATOM 0 HA ARG A 78 -1.286 3.026 17.147 1.00 0.01 H new ATOM 0 HB2 ARG A 78 0.723 4.730 15.592 1.00 0.43 H new ATOM 0 HB3 ARG A 78 -0.706 5.315 16.421 1.00 0.43 H new ATOM 0 HG2 ARG A 78 1.622 3.865 17.791 1.00 0.80 H new ATOM 0 HG3 ARG A 78 1.405 5.604 17.787 1.00 0.80 H new ATOM 0 HD2 ARG A 78 -1.097 4.743 18.675 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -0.047 3.523 19.369 1.00 1.00 H new ATOM 0 HE ARG A 78 -0.335 6.111 20.471 1.00 1.30 H new ATOM 0 HH11 ARG A 78 2.206 3.990 19.332 1.00 2.72 H new ATOM 0 HH12 ARG A 78 3.468 4.820 20.249 1.00 2.72 H new ATOM 0 HH21 ARG A 78 1.284 7.183 21.603 1.00 3.20 H new ATOM 0 HH22 ARG A 78 2.952 6.606 21.520 1.00 3.20 H new ATOM 1245 N LEU A 79 -2.575 2.845 15.052 1.00 0.01 N ATOM 1246 CA LEU A 79 -3.382 2.726 13.799 1.00 0.01 C ATOM 1247 C LEU A 79 -4.701 3.456 14.038 1.00 0.01 C ATOM 1248 O LEU A 79 -5.403 3.159 14.973 1.00 0.02 O ATOM 1249 CB LEU A 79 -3.663 1.251 13.504 1.00 1.04 C ATOM 1250 CG LEU A 79 -2.369 0.554 13.057 1.00 1.85 C ATOM 1251 CD1 LEU A 79 -2.638 -0.944 12.899 1.00 2.40 C ATOM 1252 CD2 LEU A 79 -1.872 1.147 11.718 1.00 2.61 C ATOM 0 H LEU A 79 -3.117 2.785 15.914 1.00 0.01 H new ATOM 0 HA LEU A 79 -2.846 3.155 12.952 1.00 0.01 H new ATOM 0 HB2 LEU A 79 -4.062 0.762 14.393 1.00 1.04 H new ATOM 0 HB3 LEU A 79 -4.421 1.164 12.726 1.00 1.04 H new ATOM 0 HG LEU A 79 -1.596 0.711 13.809 1.00 1.85 H new ATOM 0 HD11 LEU A 79 -1.724 -1.446 12.582 1.00 2.40 H new ATOM 0 HD12 LEU A 79 -2.967 -1.357 13.853 1.00 2.40 H new ATOM 0 HD13 LEU A 79 -3.415 -1.097 12.150 1.00 2.40 H new ATOM 0 HD21 LEU A 79 -0.954 0.643 11.415 1.00 2.61 H new ATOM 0 HD22 LEU A 79 -2.634 1.005 10.952 1.00 2.61 H new ATOM 0 HD23 LEU A 79 -1.676 2.212 11.842 1.00 2.61 H new ATOM 1264 N GLY A 80 -5.026 4.441 13.236 1.00 0.02 N ATOM 1265 CA GLY A 80 -6.289 5.223 13.465 1.00 0.02 C ATOM 1266 C GLY A 80 -7.369 4.901 12.426 1.00 0.02 C ATOM 1267 O GLY A 80 -8.532 5.181 12.640 1.00 0.01 O ATOM 0 H GLY A 80 -4.474 4.740 12.432 1.00 0.02 H new ATOM 0 HA2 GLY A 80 -6.672 5.007 14.462 1.00 0.02 H new ATOM 0 HA3 GLY A 80 -6.064 6.289 13.434 1.00 0.02 H new ATOM 1271 N SER A 81 -7.022 4.324 11.307 1.00 0.01 N ATOM 1272 CA SER A 81 -8.075 4.013 10.290 1.00 0.01 C ATOM 1273 C SER A 81 -7.616 2.873 9.385 1.00 0.02 C ATOM 1274 O SER A 81 -6.437 2.630 9.209 1.00 0.01 O ATOM 1275 CB SER A 81 -8.347 5.256 9.447 1.00 0.01 C ATOM 1276 OG SER A 81 -9.203 4.911 8.366 1.00 0.01 O ATOM 0 H SER A 81 -6.071 4.057 11.053 1.00 0.01 H new ATOM 0 HA SER A 81 -8.987 3.709 10.804 1.00 0.01 H new ATOM 0 HB2 SER A 81 -8.809 6.031 10.059 1.00 0.01 H new ATOM 0 HB3 SER A 81 -7.410 5.665 9.068 1.00 0.01 H new ATOM 0 HG SER A 81 -9.103 5.569 7.647 1.00 0.01 H new ATOM 1282 N CYS A 82 -8.558 2.174 8.796 1.00 0.02 N ATOM 1283 CA CYS A 82 -8.206 1.043 7.884 1.00 0.01 C ATOM 1284 C CYS A 82 -9.208 0.979 6.726 1.00 0.01 C ATOM 1285 O CYS A 82 -10.371 1.294 6.880 1.00 0.01 O ATOM 1286 CB CYS A 82 -8.236 -0.276 8.660 1.00 0.01 C ATOM 1287 SG CYS A 82 -7.070 -0.187 10.043 1.00 0.02 S ATOM 0 H CYS A 82 -9.558 2.340 8.909 1.00 0.02 H new ATOM 0 HA CYS A 82 -7.204 1.205 7.486 1.00 0.01 H new ATOM 0 HB2 CYS A 82 -9.243 -0.470 9.031 1.00 0.01 H new ATOM 0 HB3 CYS A 82 -7.974 -1.104 8.002 1.00 0.01 H new ATOM 0 HG CYS A 82 -7.005 -1.345 10.631 1.00 0.02 H new ATOM 1293 N ARG A 83 -8.765 0.561 5.568 1.00 0.01 N ATOM 1294 CA ARG A 83 -9.686 0.461 4.388 1.00 0.01 C ATOM 1295 C ARG A 83 -9.448 -0.872 3.679 1.00 0.01 C ATOM 1296 O ARG A 83 -8.330 -1.325 3.535 1.00 0.01 O ATOM 1297 CB ARG A 83 -9.373 1.585 3.395 1.00 0.01 C ATOM 1298 CG ARG A 83 -9.816 2.933 3.968 1.00 0.01 C ATOM 1299 CD ARG A 83 -9.798 3.982 2.854 1.00 0.01 C ATOM 1300 NE ARG A 83 -8.627 3.743 1.964 1.00 0.01 N ATOM 1301 CZ ARG A 83 -8.579 4.301 0.786 1.00 0.01 C ATOM 1302 NH1 ARG A 83 -9.557 5.068 0.386 1.00 0.01 N ATOM 1303 NH2 ARG A 83 -7.552 4.091 0.005 1.00 0.01 N ATOM 0 H ARG A 83 -7.801 0.283 5.385 1.00 0.01 H new ATOM 0 HA ARG A 83 -10.717 0.537 4.733 1.00 0.01 H new ATOM 0 HB2 ARG A 83 -8.304 1.605 3.182 1.00 0.01 H new ATOM 0 HB3 ARG A 83 -9.883 1.398 2.450 1.00 0.01 H new ATOM 0 HG2 ARG A 83 -10.817 2.851 4.391 1.00 0.01 H new ATOM 0 HG3 ARG A 83 -9.152 3.234 4.778 1.00 0.01 H new ATOM 0 HD2 ARG A 83 -10.722 3.932 2.278 1.00 0.01 H new ATOM 0 HD3 ARG A 83 -9.744 4.983 3.283 1.00 0.01 H new ATOM 0 HE ARG A 83 -7.863 3.143 2.276 1.00 0.01 H new ATOM 0 HH11 ARG A 83 -10.359 5.231 0.995 1.00 0.01 H new ATOM 0 HH12 ARG A 83 -9.519 5.504 -0.535 1.00 0.01 H new ATOM 0 HH21 ARG A 83 -6.788 3.491 0.317 1.00 0.01 H new ATOM 0 HH22 ARG A 83 -7.514 4.527 -0.916 1.00 0.01 H new ATOM 1317 N ALA A 84 -10.501 -1.507 3.231 1.00 0.01 N ATOM 1318 CA ALA A 84 -10.346 -2.809 2.529 1.00 0.01 C ATOM 1319 C ALA A 84 -9.899 -2.543 1.096 1.00 0.01 C ATOM 1320 O ALA A 84 -10.435 -1.699 0.406 1.00 0.00 O ATOM 1321 CB ALA A 84 -11.686 -3.546 2.493 1.00 0.43 C ATOM 0 H ALA A 84 -11.462 -1.176 3.323 1.00 0.01 H new ATOM 0 HA ALA A 84 -9.610 -3.417 3.055 1.00 0.01 H new ATOM 0 HB1 ALA A 84 -11.564 -4.498 1.977 1.00 0.43 H new ATOM 0 HB2 ALA A 84 -12.029 -3.726 3.512 1.00 0.43 H new ATOM 0 HB3 ALA A 84 -12.421 -2.939 1.964 1.00 0.43 H new ATOM 1327 N VAL A 85 -8.932 -3.283 0.637 1.00 0.01 N ATOM 1328 CA VAL A 85 -8.445 -3.118 -0.760 1.00 0.01 C ATOM 1329 C VAL A 85 -9.198 -4.108 -1.660 1.00 0.01 C ATOM 1330 O VAL A 85 -9.177 -5.301 -1.438 1.00 0.01 O ATOM 1331 CB VAL A 85 -6.936 -3.386 -0.809 1.00 0.98 C ATOM 1332 CG1 VAL A 85 -6.406 -3.090 -2.209 1.00 1.25 C ATOM 1333 CG2 VAL A 85 -6.219 -2.474 0.191 1.00 1.12 C ATOM 0 H VAL A 85 -8.452 -4.004 1.176 1.00 0.01 H new ATOM 0 HA VAL A 85 -8.627 -2.102 -1.110 1.00 0.01 H new ATOM 0 HB VAL A 85 -6.753 -4.431 -0.557 1.00 0.98 H new ATOM 0 HG11 VAL A 85 -5.333 -3.282 -2.240 1.00 1.25 H new ATOM 0 HG12 VAL A 85 -6.910 -3.731 -2.932 1.00 1.25 H new ATOM 0 HG13 VAL A 85 -6.595 -2.045 -2.456 1.00 1.25 H new ATOM 0 HG21 VAL A 85 -5.147 -2.666 0.155 1.00 1.12 H new ATOM 0 HG22 VAL A 85 -6.410 -1.432 -0.065 1.00 1.12 H new ATOM 0 HG23 VAL A 85 -6.589 -2.674 1.196 1.00 1.12 H new ATOM 1343 N HIS A 86 -9.858 -3.620 -2.676 1.00 0.01 N ATOM 1344 CA HIS A 86 -10.608 -4.531 -3.595 1.00 0.01 C ATOM 1345 C HIS A 86 -9.670 -4.945 -4.725 1.00 0.01 C ATOM 1346 O HIS A 86 -8.951 -4.138 -5.277 1.00 0.00 O ATOM 1347 CB HIS A 86 -11.816 -3.789 -4.175 1.00 0.21 C ATOM 1348 CG HIS A 86 -12.514 -3.042 -3.074 1.00 0.71 C ATOM 1349 ND1 HIS A 86 -13.274 -3.684 -2.109 1.00 1.26 N ATOM 1350 CD2 HIS A 86 -12.574 -1.704 -2.769 1.00 1.20 C ATOM 1351 CE1 HIS A 86 -13.755 -2.742 -1.278 1.00 1.77 C ATOM 1352 NE2 HIS A 86 -13.358 -1.517 -1.635 1.00 1.71 N ATOM 0 H HIS A 86 -9.911 -2.629 -2.911 1.00 0.01 H new ATOM 0 HA HIS A 86 -10.958 -5.411 -3.055 1.00 0.01 H new ATOM 0 HB2 HIS A 86 -11.493 -3.096 -4.952 1.00 0.21 H new ATOM 0 HB3 HIS A 86 -12.502 -4.496 -4.642 1.00 0.21 H new ATOM 0 HD2 HIS A 86 -12.087 -0.917 -3.325 1.00 1.20 H new ATOM 0 HE1 HIS A 86 -14.385 -2.950 -0.426 1.00 1.77 H new ATOM 0 HE2 HIS A 86 -13.582 -0.635 -1.175 1.00 1.71 H new ATOM 1360 N LEU A 87 -9.676 -6.208 -5.072 1.00 0.01 N ATOM 1361 CA LEU A 87 -8.786 -6.711 -6.161 1.00 0.01 C ATOM 1362 C LEU A 87 -9.583 -6.836 -7.457 1.00 0.01 C ATOM 1363 O LEU A 87 -10.694 -7.328 -7.467 1.00 0.01 O ATOM 1364 CB LEU A 87 -8.247 -8.097 -5.766 1.00 0.67 C ATOM 1365 CG LEU A 87 -7.971 -8.142 -4.262 1.00 1.25 C ATOM 1366 CD1 LEU A 87 -7.351 -9.493 -3.909 1.00 1.63 C ATOM 1367 CD2 LEU A 87 -7.002 -7.020 -3.877 1.00 1.34 C ATOM 0 H LEU A 87 -10.267 -6.919 -4.641 1.00 0.01 H new ATOM 0 HA LEU A 87 -7.960 -6.016 -6.308 1.00 0.01 H new ATOM 0 HB2 LEU A 87 -8.970 -8.867 -6.035 1.00 0.67 H new ATOM 0 HB3 LEU A 87 -7.332 -8.312 -6.319 1.00 0.67 H new ATOM 0 HG LEU A 87 -8.905 -8.009 -3.717 1.00 1.25 H new ATOM 0 HD11 LEU A 87 -7.151 -9.533 -2.838 1.00 1.63 H new ATOM 0 HD12 LEU A 87 -8.041 -10.292 -4.179 1.00 1.63 H new ATOM 0 HD13 LEU A 87 -6.417 -9.619 -4.457 1.00 1.63 H new ATOM 0 HD21 LEU A 87 -6.810 -7.057 -2.805 1.00 1.34 H new ATOM 0 HD22 LEU A 87 -6.065 -7.147 -4.419 1.00 1.34 H new ATOM 0 HD23 LEU A 87 -7.441 -6.056 -4.133 1.00 1.34 H new ATOM 1379 N SER A 88 -9.006 -6.423 -8.556 1.00 0.01 N ATOM 1380 CA SER A 88 -9.687 -6.538 -9.880 1.00 0.01 C ATOM 1381 C SER A 88 -8.936 -7.564 -10.726 1.00 0.01 C ATOM 1382 O SER A 88 -7.750 -7.418 -10.944 1.00 0.01 O ATOM 1383 CB SER A 88 -9.671 -5.185 -10.591 1.00 0.81 C ATOM 1384 OG SER A 88 -10.452 -4.256 -9.852 1.00 1.08 O ATOM 0 H SER A 88 -8.077 -6.004 -8.592 1.00 0.01 H new ATOM 0 HA SER A 88 -10.721 -6.851 -9.737 1.00 0.01 H new ATOM 0 HB2 SER A 88 -8.647 -4.823 -10.685 1.00 0.81 H new ATOM 0 HB3 SER A 88 -10.067 -5.288 -11.601 1.00 0.81 H new ATOM 0 HG SER A 88 -10.442 -3.387 -10.305 1.00 1.08 H new ATOM 1390 N SER A 89 -9.592 -8.565 -11.254 1.00 0.01 N ATOM 1391 CA SER A 89 -8.876 -9.543 -12.135 1.00 0.01 C ATOM 1392 C SER A 89 -9.259 -9.187 -13.568 1.00 0.01 C ATOM 1393 O SER A 89 -9.651 -8.065 -13.823 1.00 0.01 O ATOM 1394 CB SER A 89 -9.332 -10.968 -11.817 1.00 0.43 C ATOM 1395 OG SER A 89 -10.686 -11.129 -12.222 1.00 1.26 O ATOM 0 H SER A 89 -10.586 -8.749 -11.116 1.00 0.01 H new ATOM 0 HA SER A 89 -7.798 -9.495 -11.984 1.00 0.01 H new ATOM 0 HB2 SER A 89 -8.698 -11.689 -12.333 1.00 0.43 H new ATOM 0 HB3 SER A 89 -9.234 -11.164 -10.749 1.00 0.43 H new ATOM 0 HG SER A 89 -10.981 -12.042 -12.021 1.00 1.26 H new ATOM 1401 N GLY A 90 -9.202 -10.100 -14.507 1.00 0.01 N ATOM 1402 CA GLY A 90 -9.625 -9.753 -15.902 1.00 0.00 C ATOM 1403 C GLY A 90 -8.685 -10.337 -16.958 1.00 0.00 C ATOM 1404 O GLY A 90 -9.132 -10.954 -17.904 1.00 0.01 O ATOM 0 H GLY A 90 -8.885 -11.060 -14.372 1.00 0.01 H new ATOM 0 HA2 GLY A 90 -10.636 -10.122 -16.075 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -9.659 -8.669 -16.009 1.00 0.00 H new ATOM 1408 N GLY A 91 -7.394 -10.172 -16.825 1.00 0.00 N ATOM 1409 CA GLY A 91 -6.494 -10.759 -17.856 1.00 0.00 C ATOM 1410 C GLY A 91 -5.019 -10.436 -17.588 1.00 0.00 C ATOM 1411 O GLY A 91 -4.381 -11.093 -16.787 1.00 0.01 O ATOM 0 H GLY A 91 -6.935 -9.669 -16.066 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.629 -11.840 -17.881 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.774 -10.380 -18.839 1.00 0.00 H new ATOM 1415 N GLN A 92 -4.463 -9.453 -18.260 1.00 1.80 N ATOM 1416 CA GLN A 92 -3.013 -9.110 -18.057 1.00 2.31 C ATOM 1417 C GLN A 92 -2.859 -7.661 -17.586 1.00 1.91 C ATOM 1418 O GLN A 92 -3.247 -6.721 -18.251 1.00 2.31 O ATOM 1419 CB GLN A 92 -2.266 -9.325 -19.376 1.00 2.11 C ATOM 1420 CG GLN A 92 -0.815 -8.867 -19.221 1.00 2.86 C ATOM 1421 CD GLN A 92 0.011 -9.371 -20.407 1.00 3.70 C ATOM 1422 OE1 GLN A 92 0.560 -8.589 -21.157 1.00 3.99 O ATOM 1423 NE2 GLN A 92 0.120 -10.654 -20.610 1.00 4.43 N ATOM 0 H GLN A 92 -4.950 -8.872 -18.942 1.00 1.80 H new ATOM 0 HA GLN A 92 -2.593 -9.756 -17.286 1.00 2.31 H new ATOM 0 HB2 GLN A 92 -2.298 -10.378 -19.657 1.00 2.11 H new ATOM 0 HB3 GLN A 92 -2.751 -8.766 -20.176 1.00 2.11 H new ATOM 0 HG2 GLN A 92 -0.770 -7.779 -19.169 1.00 2.86 H new ATOM 0 HG3 GLN A 92 -0.400 -9.248 -18.288 1.00 2.86 H new ATOM 0 HE21 GLN A 92 -0.341 -11.311 -19.980 1.00 4.43 H new ATOM 0 HE22 GLN A 92 0.666 -11.001 -21.398 1.00 4.43 H new ATOM 1432 N ALA A 93 -2.288 -7.495 -16.422 1.00 0.01 N ATOM 1433 CA ALA A 93 -2.094 -6.121 -15.875 1.00 0.01 C ATOM 1434 C ALA A 93 -0.890 -5.470 -16.564 1.00 0.01 C ATOM 1435 O ALA A 93 0.175 -6.049 -16.644 1.00 0.01 O ATOM 1436 CB ALA A 93 -1.835 -6.200 -14.367 1.00 2.99 C ATOM 0 H ALA A 93 -1.948 -8.251 -15.827 1.00 0.01 H new ATOM 0 HA ALA A 93 -2.989 -5.526 -16.057 1.00 0.01 H new ATOM 0 HB1 ALA A 93 -1.693 -5.195 -13.969 1.00 2.99 H new ATOM 0 HB2 ALA A 93 -2.688 -6.668 -13.875 1.00 2.99 H new ATOM 0 HB3 ALA A 93 -0.939 -6.793 -14.182 1.00 2.99 H new ATOM 1442 N LYS A 94 -1.058 -4.274 -17.065 1.00 0.00 N ATOM 1443 CA LYS A 94 0.063 -3.562 -17.761 1.00 0.01 C ATOM 1444 C LYS A 94 0.178 -2.141 -17.201 1.00 0.01 C ATOM 1445 O LYS A 94 -0.815 -1.502 -16.914 1.00 0.01 O ATOM 1446 CB LYS A 94 -0.264 -3.516 -19.256 1.00 2.49 C ATOM 1447 CG LYS A 94 0.925 -2.933 -20.021 1.00 3.43 C ATOM 1448 CD LYS A 94 0.737 -3.174 -21.522 1.00 4.11 C ATOM 1449 CE LYS A 94 -0.521 -2.450 -22.011 1.00 5.23 C ATOM 1450 NZ LYS A 94 -0.466 -2.311 -23.493 1.00 6.36 N ATOM 0 H LYS A 94 -1.933 -3.752 -17.023 1.00 0.00 H new ATOM 0 HA LYS A 94 1.010 -4.078 -17.604 1.00 0.01 H new ATOM 0 HB2 LYS A 94 -0.489 -4.518 -19.621 1.00 2.49 H new ATOM 0 HB3 LYS A 94 -1.153 -2.908 -19.426 1.00 2.49 H new ATOM 0 HG2 LYS A 94 1.010 -1.865 -19.822 1.00 3.43 H new ATOM 0 HG3 LYS A 94 1.852 -3.396 -19.681 1.00 3.43 H new ATOM 0 HD2 LYS A 94 1.609 -2.816 -22.069 1.00 4.11 H new ATOM 0 HD3 LYS A 94 0.653 -4.243 -21.720 1.00 4.11 H new ATOM 0 HE2 LYS A 94 -1.411 -3.007 -21.720 1.00 5.23 H new ATOM 0 HE3 LYS A 94 -0.593 -1.467 -21.545 1.00 5.23 H new ATOM 0 HZ1 LYS A 94 -1.319 -1.820 -23.827 1.00 6.36 H new ATOM 0 HZ2 LYS A 94 0.376 -1.762 -23.759 1.00 6.36 H new ATOM 0 HZ3 LYS A 94 -0.417 -3.254 -23.929 1.00 6.36 H new ATOM 1464 N ILE A 95 1.386 -1.644 -17.028 1.00 0.00 N ATOM 1465 CA ILE A 95 1.565 -0.261 -16.471 1.00 0.01 C ATOM 1466 C ILE A 95 2.516 0.541 -17.361 1.00 0.01 C ATOM 1467 O ILE A 95 3.488 0.027 -17.886 1.00 0.01 O ATOM 1468 CB ILE A 95 2.145 -0.360 -15.054 1.00 0.34 C ATOM 1469 CG1 ILE A 95 2.509 1.039 -14.545 1.00 0.30 C ATOM 1470 CG2 ILE A 95 3.396 -1.240 -15.068 1.00 0.36 C ATOM 1471 CD1 ILE A 95 2.769 0.984 -13.038 1.00 1.09 C ATOM 0 H ILE A 95 2.252 -2.136 -17.248 1.00 0.00 H new ATOM 0 HA ILE A 95 0.600 0.245 -16.439 1.00 0.01 H new ATOM 0 HB ILE A 95 1.400 -0.802 -14.393 1.00 0.34 H new ATOM 0 HG12 ILE A 95 3.394 1.407 -15.064 1.00 0.30 H new ATOM 0 HG13 ILE A 95 1.700 1.737 -14.760 1.00 0.30 H new ATOM 0 HG21 ILE A 95 3.805 -1.308 -14.060 1.00 0.36 H new ATOM 0 HG22 ILE A 95 3.135 -2.238 -15.421 1.00 0.36 H new ATOM 0 HG23 ILE A 95 4.141 -0.803 -15.733 1.00 0.36 H new ATOM 0 HD11 ILE A 95 3.028 1.979 -12.677 1.00 1.09 H new ATOM 0 HD12 ILE A 95 1.872 0.634 -12.527 1.00 1.09 H new ATOM 0 HD13 ILE A 95 3.592 0.299 -12.836 1.00 1.09 H new ATOM 1483 N GLN A 96 2.261 1.822 -17.488 1.00 0.01 N ATOM 1484 CA GLN A 96 3.156 2.719 -18.284 1.00 0.01 C ATOM 1485 C GLN A 96 3.646 3.827 -17.346 1.00 0.01 C ATOM 1486 O GLN A 96 2.865 4.396 -16.606 1.00 0.00 O ATOM 1487 CB GLN A 96 2.393 3.321 -19.475 1.00 0.53 C ATOM 1488 CG GLN A 96 0.951 3.625 -19.074 1.00 0.82 C ATOM 1489 CD GLN A 96 0.116 2.342 -19.134 1.00 1.25 C ATOM 1490 OE1 GLN A 96 0.654 1.256 -19.220 1.00 1.75 O ATOM 1491 NE2 GLN A 96 -1.185 2.422 -19.093 1.00 2.05 N ATOM 0 H GLN A 96 1.458 2.290 -17.067 1.00 0.01 H new ATOM 0 HA GLN A 96 3.999 2.158 -18.686 1.00 0.01 H new ATOM 0 HB2 GLN A 96 2.886 4.234 -19.809 1.00 0.53 H new ATOM 0 HB3 GLN A 96 2.407 2.626 -20.315 1.00 0.53 H new ATOM 0 HG2 GLN A 96 0.924 4.041 -18.067 1.00 0.82 H new ATOM 0 HG3 GLN A 96 0.529 4.377 -19.741 1.00 0.82 H new ATOM 0 HE21 GLN A 96 -1.638 3.333 -19.021 1.00 2.05 H new ATOM 0 HE22 GLN A 96 -1.750 1.573 -19.133 1.00 2.05 H new ATOM 1500 N VAL A 97 4.918 4.144 -17.355 1.00 0.01 N ATOM 1501 CA VAL A 97 5.443 5.222 -16.450 1.00 0.01 C ATOM 1502 C VAL A 97 6.155 6.286 -17.288 1.00 0.01 C ATOM 1503 O VAL A 97 6.742 5.995 -18.313 1.00 0.01 O ATOM 1504 CB VAL A 97 6.435 4.615 -15.457 1.00 0.77 C ATOM 1505 CG1 VAL A 97 5.732 3.551 -14.612 1.00 1.10 C ATOM 1506 CG2 VAL A 97 7.595 3.977 -16.226 1.00 1.03 C ATOM 0 H VAL A 97 5.619 3.703 -17.950 1.00 0.01 H new ATOM 0 HA VAL A 97 4.614 5.676 -15.907 1.00 0.01 H new ATOM 0 HB VAL A 97 6.818 5.397 -14.802 1.00 0.77 H new ATOM 0 HG11 VAL A 97 6.441 3.120 -13.905 1.00 1.10 H new ATOM 0 HG12 VAL A 97 4.907 4.007 -14.065 1.00 1.10 H new ATOM 0 HG13 VAL A 97 5.346 2.766 -15.263 1.00 1.10 H new ATOM 0 HG21 VAL A 97 8.304 3.543 -15.521 1.00 1.03 H new ATOM 0 HG22 VAL A 97 7.211 3.195 -16.881 1.00 1.03 H new ATOM 0 HG23 VAL A 97 8.097 4.738 -16.824 1.00 1.03 H new ATOM 1516 N PHE A 98 6.078 7.528 -16.862 1.00 0.01 N ATOM 1517 CA PHE A 98 6.719 8.646 -17.633 1.00 0.01 C ATOM 1518 C PHE A 98 7.766 9.373 -16.783 1.00 0.01 C ATOM 1519 O PHE A 98 7.617 9.557 -15.590 1.00 0.01 O ATOM 1520 CB PHE A 98 5.635 9.629 -18.065 1.00 0.25 C ATOM 1521 CG PHE A 98 4.618 8.901 -18.918 1.00 0.36 C ATOM 1522 CD1 PHE A 98 3.692 8.036 -18.319 1.00 0.42 C ATOM 1523 CD2 PHE A 98 4.598 9.096 -20.305 1.00 0.58 C ATOM 1524 CE1 PHE A 98 2.748 7.366 -19.108 1.00 0.56 C ATOM 1525 CE2 PHE A 98 3.653 8.426 -21.093 1.00 0.73 C ATOM 1526 CZ PHE A 98 2.728 7.561 -20.494 1.00 0.69 C ATOM 0 H PHE A 98 5.597 7.816 -16.010 1.00 0.01 H new ATOM 0 HA PHE A 98 7.223 8.230 -18.505 1.00 0.01 H new ATOM 0 HB2 PHE A 98 5.151 10.063 -17.190 1.00 0.25 H new ATOM 0 HB3 PHE A 98 6.076 10.453 -18.626 1.00 0.25 H new ATOM 0 HD1 PHE A 98 3.706 7.886 -17.250 1.00 0.42 H new ATOM 0 HD2 PHE A 98 5.311 9.763 -20.767 1.00 0.58 H new ATOM 0 HE1 PHE A 98 2.035 6.699 -18.647 1.00 0.56 H new ATOM 0 HE2 PHE A 98 3.638 8.576 -22.162 1.00 0.73 H new ATOM 0 HZ PHE A 98 2.000 7.045 -21.102 1.00 0.69 H new ATOM 1536 N GLU A 99 8.846 9.749 -17.414 1.00 0.01 N ATOM 1537 CA GLU A 99 9.957 10.431 -16.688 1.00 0.01 C ATOM 1538 C GLU A 99 9.537 11.816 -16.173 1.00 0.01 C ATOM 1539 O GLU A 99 10.041 12.273 -15.166 1.00 0.01 O ATOM 1540 CB GLU A 99 11.156 10.586 -17.627 1.00 0.01 C ATOM 1541 CG GLU A 99 12.405 10.941 -16.816 1.00 0.01 C ATOM 1542 CD GLU A 99 13.627 10.947 -17.736 1.00 0.01 C ATOM 1543 OE1 GLU A 99 13.465 10.644 -18.907 1.00 0.02 O ATOM 1544 OE2 GLU A 99 14.704 11.252 -17.253 1.00 0.01 O ATOM 0 H GLU A 99 9.008 9.611 -18.412 1.00 0.01 H new ATOM 0 HA GLU A 99 10.221 9.817 -15.827 1.00 0.01 H new ATOM 0 HB2 GLU A 99 11.320 9.660 -18.179 1.00 0.01 H new ATOM 0 HB3 GLU A 99 10.955 11.364 -18.363 1.00 0.01 H new ATOM 0 HG2 GLU A 99 12.283 11.919 -16.350 1.00 0.01 H new ATOM 0 HG3 GLU A 99 12.546 10.219 -16.011 1.00 0.01 H new ATOM 1551 N LYS A 100 8.631 12.495 -16.845 1.00 0.01 N ATOM 1552 CA LYS A 100 8.200 13.859 -16.374 1.00 0.01 C ATOM 1553 C LYS A 100 6.717 13.851 -15.989 1.00 0.01 C ATOM 1554 O LYS A 100 5.990 12.920 -16.277 1.00 0.01 O ATOM 1555 CB LYS A 100 8.434 14.885 -17.485 1.00 0.94 C ATOM 1556 CG LYS A 100 9.929 14.967 -17.797 1.00 1.63 C ATOM 1557 CD LYS A 100 10.147 15.821 -19.048 1.00 2.19 C ATOM 1558 CE LYS A 100 11.646 16.012 -19.281 1.00 2.84 C ATOM 1559 NZ LYS A 100 12.182 16.994 -18.296 1.00 3.18 N ATOM 0 H LYS A 100 8.173 12.167 -17.695 1.00 0.01 H new ATOM 0 HA LYS A 100 8.789 14.127 -15.497 1.00 0.01 H new ATOM 0 HB2 LYS A 100 7.880 14.601 -18.380 1.00 0.94 H new ATOM 0 HB3 LYS A 100 8.062 15.862 -17.177 1.00 0.94 H new ATOM 0 HG2 LYS A 100 10.464 15.400 -16.952 1.00 1.63 H new ATOM 0 HG3 LYS A 100 10.334 13.967 -17.952 1.00 1.63 H new ATOM 0 HD2 LYS A 100 9.692 15.339 -19.914 1.00 2.19 H new ATOM 0 HD3 LYS A 100 9.660 16.789 -18.930 1.00 2.19 H new ATOM 0 HE2 LYS A 100 12.165 15.059 -19.179 1.00 2.84 H new ATOM 0 HE3 LYS A 100 11.825 16.365 -20.297 1.00 2.84 H new ATOM 0 HZ1 LYS A 100 13.122 17.316 -18.603 1.00 3.18 H new ATOM 0 HZ2 LYS A 100 11.540 17.809 -18.234 1.00 3.18 H new ATOM 0 HZ3 LYS A 100 12.259 16.542 -17.362 1.00 3.18 H new ATOM 1573 N GLY A 101 6.277 14.897 -15.342 1.00 0.01 N ATOM 1574 CA GLY A 101 4.853 14.991 -14.903 1.00 0.01 C ATOM 1575 C GLY A 101 3.910 15.097 -16.105 1.00 0.00 C ATOM 1576 O GLY A 101 4.312 15.400 -17.211 1.00 0.01 O ATOM 0 H GLY A 101 6.852 15.702 -15.095 1.00 0.01 H new ATOM 0 HA2 GLY A 101 4.594 14.114 -14.310 1.00 0.01 H new ATOM 0 HA3 GLY A 101 4.725 15.861 -14.259 1.00 0.01 H new ATOM 1580 N ASP A 102 2.644 14.863 -15.868 1.00 0.01 N ATOM 1581 CA ASP A 102 1.620 14.954 -16.950 1.00 0.00 C ATOM 1582 C ASP A 102 1.973 14.029 -18.116 1.00 0.00 C ATOM 1583 O ASP A 102 1.777 14.354 -19.270 1.00 0.01 O ATOM 1584 CB ASP A 102 1.534 16.400 -17.449 1.00 0.01 C ATOM 1585 CG ASP A 102 1.285 17.332 -16.262 1.00 0.01 C ATOM 1586 OD1 ASP A 102 0.665 16.891 -15.308 1.00 0.01 O ATOM 1587 OD2 ASP A 102 1.717 18.470 -16.329 1.00 0.01 O ATOM 0 H ASP A 102 2.272 14.608 -14.953 1.00 0.01 H new ATOM 0 HA ASP A 102 0.657 14.643 -16.544 1.00 0.00 H new ATOM 0 HB2 ASP A 102 2.458 16.677 -17.956 1.00 0.01 H new ATOM 0 HB3 ASP A 102 0.729 16.498 -18.178 1.00 0.01 H new ATOM 1592 N PHE A 103 2.468 12.863 -17.809 1.00 0.01 N ATOM 1593 CA PHE A 103 2.816 11.878 -18.869 1.00 0.01 C ATOM 1594 C PHE A 103 3.706 12.511 -19.938 1.00 0.00 C ATOM 1595 O PHE A 103 3.390 12.478 -21.111 1.00 0.01 O ATOM 1596 CB PHE A 103 1.537 11.354 -19.530 1.00 0.01 C ATOM 1597 CG PHE A 103 0.507 11.022 -18.471 1.00 0.00 C ATOM 1598 CD1 PHE A 103 0.820 10.124 -17.440 1.00 0.01 C ATOM 1599 CD2 PHE A 103 -0.764 11.609 -18.523 1.00 0.01 C ATOM 1600 CE1 PHE A 103 -0.136 9.819 -16.464 1.00 0.01 C ATOM 1601 CE2 PHE A 103 -1.717 11.302 -17.548 1.00 0.01 C ATOM 1602 CZ PHE A 103 -1.404 10.408 -16.518 1.00 0.01 C ATOM 0 H PHE A 103 2.648 12.547 -16.856 1.00 0.01 H new ATOM 0 HA PHE A 103 3.360 11.057 -18.401 1.00 0.01 H new ATOM 0 HB2 PHE A 103 1.139 12.103 -20.215 1.00 0.01 H new ATOM 0 HB3 PHE A 103 1.761 10.467 -20.122 1.00 0.01 H new ATOM 0 HD1 PHE A 103 1.798 9.668 -17.399 1.00 0.01 H new ATOM 0 HD2 PHE A 103 -1.008 12.299 -19.317 1.00 0.01 H new ATOM 0 HE1 PHE A 103 0.105 9.129 -15.669 1.00 0.01 H new ATOM 0 HE2 PHE A 103 -2.696 11.755 -17.590 1.00 0.01 H new ATOM 0 HZ PHE A 103 -2.141 10.173 -15.765 1.00 0.01 H new ATOM 1612 N ASN A 104 4.828 13.063 -19.550 1.00 0.00 N ATOM 1613 CA ASN A 104 5.765 13.674 -20.549 1.00 0.01 C ATOM 1614 C ASN A 104 7.160 13.092 -20.307 1.00 0.01 C ATOM 1615 O ASN A 104 7.412 12.479 -19.288 1.00 0.01 O ATOM 1616 CB ASN A 104 5.795 15.197 -20.365 1.00 1.68 C ATOM 1617 CG ASN A 104 6.933 15.797 -21.191 1.00 2.31 C ATOM 1618 OD1 ASN A 104 7.091 15.477 -22.353 1.00 3.15 O ATOM 1619 ND2 ASN A 104 7.738 16.661 -20.637 1.00 2.38 N ATOM 0 H ASN A 104 5.139 13.118 -18.580 1.00 0.00 H new ATOM 0 HA ASN A 104 5.436 13.454 -21.564 1.00 0.01 H new ATOM 0 HB2 ASN A 104 4.843 15.628 -20.674 1.00 1.68 H new ATOM 0 HB3 ASN A 104 5.930 15.443 -19.312 1.00 1.68 H new ATOM 0 HD21 ASN A 104 8.500 17.068 -21.179 1.00 2.38 H new ATOM 0 HD22 ASN A 104 7.605 16.929 -19.662 1.00 2.38 H new ATOM 1626 N GLY A 105 8.069 13.261 -21.231 1.00 0.01 N ATOM 1627 CA GLY A 105 9.440 12.701 -21.038 1.00 0.01 C ATOM 1628 C GLY A 105 9.505 11.310 -21.662 1.00 0.01 C ATOM 1629 O GLY A 105 8.646 10.929 -22.434 1.00 0.01 O ATOM 0 H GLY A 105 7.923 13.761 -22.108 1.00 0.01 H new ATOM 0 HA2 GLY A 105 10.181 13.354 -21.498 1.00 0.01 H new ATOM 0 HA3 GLY A 105 9.678 12.648 -19.976 1.00 0.01 H new ATOM 1633 N GLN A 106 10.498 10.537 -21.330 1.00 0.01 N ATOM 1634 CA GLN A 106 10.588 9.166 -21.898 1.00 0.01 C ATOM 1635 C GLN A 106 9.548 8.286 -21.203 1.00 0.01 C ATOM 1636 O GLN A 106 9.268 8.440 -20.030 1.00 0.01 O ATOM 1637 CB GLN A 106 11.993 8.605 -21.657 1.00 0.01 C ATOM 1638 CG GLN A 106 12.235 7.410 -22.585 1.00 0.01 C ATOM 1639 CD GLN A 106 12.390 7.907 -24.022 1.00 0.01 C ATOM 1640 OE1 GLN A 106 11.852 7.322 -24.941 1.00 0.01 O ATOM 1641 NE2 GLN A 106 13.105 8.974 -24.257 1.00 0.01 N ATOM 0 H GLN A 106 11.250 10.795 -20.691 1.00 0.01 H new ATOM 0 HA GLN A 106 10.397 9.187 -22.971 1.00 0.01 H new ATOM 0 HB2 GLN A 106 12.740 9.377 -21.839 1.00 0.01 H new ATOM 0 HB3 GLN A 106 12.100 8.298 -20.617 1.00 0.01 H new ATOM 0 HG2 GLN A 106 13.131 6.871 -22.276 1.00 0.01 H new ATOM 0 HG3 GLN A 106 11.403 6.709 -22.519 1.00 0.01 H new ATOM 0 HE21 GLN A 106 13.557 9.465 -23.486 1.00 0.01 H new ATOM 0 HE22 GLN A 106 13.212 9.316 -25.212 1.00 0.01 H new ATOM 1650 N MET A 107 8.963 7.372 -21.937 1.00 0.01 N ATOM 1651 CA MET A 107 7.919 6.469 -21.360 1.00 0.01 C ATOM 1652 C MET A 107 8.412 5.024 -21.406 1.00 0.01 C ATOM 1653 O MET A 107 9.028 4.591 -22.360 1.00 0.01 O ATOM 1654 CB MET A 107 6.636 6.587 -22.194 1.00 0.00 C ATOM 1655 CG MET A 107 5.616 5.531 -21.750 1.00 0.01 C ATOM 1656 SD MET A 107 4.022 5.868 -22.539 1.00 0.01 S ATOM 1657 CE MET A 107 3.478 4.151 -22.714 1.00 0.01 C ATOM 0 H MET A 107 9.167 7.211 -22.923 1.00 0.01 H new ATOM 0 HA MET A 107 7.720 6.755 -20.327 1.00 0.01 H new ATOM 0 HB2 MET A 107 6.211 7.584 -22.081 1.00 0.00 H new ATOM 0 HB3 MET A 107 6.868 6.457 -23.251 1.00 0.00 H new ATOM 0 HG2 MET A 107 5.965 4.535 -22.021 1.00 0.01 H new ATOM 0 HG3 MET A 107 5.508 5.547 -20.665 1.00 0.01 H new ATOM 0 HE1 MET A 107 2.390 4.108 -22.667 1.00 0.01 H new ATOM 0 HE2 MET A 107 3.816 3.758 -23.673 1.00 0.01 H new ATOM 0 HE3 MET A 107 3.900 3.552 -21.907 1.00 0.01 H new ATOM 1667 N TYR A 108 8.111 4.269 -20.382 1.00 0.01 N ATOM 1668 CA TYR A 108 8.512 2.830 -20.330 1.00 0.00 C ATOM 1669 C TYR A 108 7.281 2.007 -19.925 1.00 0.01 C ATOM 1670 O TYR A 108 6.531 2.380 -19.044 1.00 0.01 O ATOM 1671 CB TYR A 108 9.621 2.638 -19.292 1.00 0.54 C ATOM 1672 CG TYR A 108 10.931 3.137 -19.856 1.00 0.60 C ATOM 1673 CD1 TYR A 108 11.570 2.422 -20.875 1.00 1.24 C ATOM 1674 CD2 TYR A 108 11.507 4.317 -19.362 1.00 0.93 C ATOM 1675 CE1 TYR A 108 12.781 2.884 -21.402 1.00 1.76 C ATOM 1676 CE2 TYR A 108 12.718 4.778 -19.890 1.00 1.51 C ATOM 1677 CZ TYR A 108 13.355 4.063 -20.910 1.00 1.82 C ATOM 1678 OH TYR A 108 14.549 4.520 -21.428 1.00 2.48 O ATOM 0 H TYR A 108 7.595 4.594 -19.565 1.00 0.01 H new ATOM 0 HA TYR A 108 8.883 2.507 -21.303 1.00 0.00 H new ATOM 0 HB2 TYR A 108 9.376 3.180 -18.378 1.00 0.54 H new ATOM 0 HB3 TYR A 108 9.705 1.585 -19.025 1.00 0.54 H new ATOM 0 HD1 TYR A 108 11.128 1.513 -21.255 1.00 1.24 H new ATOM 0 HD2 TYR A 108 11.016 4.869 -18.574 1.00 0.93 H new ATOM 0 HE1 TYR A 108 13.273 2.331 -22.188 1.00 1.76 H new ATOM 0 HE2 TYR A 108 13.161 5.686 -19.510 1.00 1.51 H new ATOM 0 HH TYR A 108 14.806 5.350 -20.975 1.00 2.48 H new ATOM 1688 N GLU A 109 7.059 0.904 -20.596 1.00 0.01 N ATOM 1689 CA GLU A 109 5.863 0.044 -20.306 1.00 0.01 C ATOM 1690 C GLU A 109 6.316 -1.344 -19.860 1.00 0.01 C ATOM 1691 O GLU A 109 7.203 -1.934 -20.446 1.00 0.01 O ATOM 1692 CB GLU A 109 5.037 -0.060 -21.592 1.00 0.01 C ATOM 1693 CG GLU A 109 3.750 -0.850 -21.322 1.00 0.01 C ATOM 1694 CD GLU A 109 4.055 -2.351 -21.310 1.00 0.00 C ATOM 1695 OE1 GLU A 109 4.268 -2.900 -22.378 1.00 0.00 O ATOM 1696 OE2 GLU A 109 4.068 -2.924 -20.234 1.00 0.00 O ATOM 0 H GLU A 109 7.661 0.556 -21.342 1.00 0.01 H new ATOM 0 HA GLU A 109 5.265 0.481 -19.506 1.00 0.01 H new ATOM 0 HB2 GLU A 109 4.792 0.937 -21.959 1.00 0.01 H new ATOM 0 HB3 GLU A 109 5.620 -0.552 -22.370 1.00 0.01 H new ATOM 0 HG2 GLU A 109 3.322 -0.549 -20.366 1.00 0.01 H new ATOM 0 HG3 GLU A 109 3.008 -0.627 -22.088 1.00 0.01 H new ATOM 1703 N THR A 110 5.717 -1.877 -18.818 1.00 0.01 N ATOM 1704 CA THR A 110 6.131 -3.229 -18.342 1.00 0.00 C ATOM 1705 C THR A 110 4.951 -3.970 -17.702 1.00 0.01 C ATOM 1706 O THR A 110 4.023 -3.384 -17.168 1.00 0.01 O ATOM 1707 CB THR A 110 7.264 -3.100 -17.318 1.00 1.21 C ATOM 1708 OG1 THR A 110 7.400 -4.323 -16.608 1.00 1.65 O ATOM 1709 CG2 THR A 110 6.953 -1.970 -16.334 1.00 1.69 C ATOM 0 H THR A 110 4.968 -1.436 -18.285 1.00 0.01 H new ATOM 0 HA THR A 110 6.477 -3.799 -19.204 1.00 0.00 H new ATOM 0 HB THR A 110 8.194 -2.873 -17.839 1.00 1.21 H new ATOM 0 HG1 THR A 110 7.662 -5.034 -17.229 1.00 1.65 H new ATOM 0 HG21 THR A 110 7.763 -1.885 -15.610 1.00 1.69 H new ATOM 0 HG22 THR A 110 6.853 -1.031 -16.878 1.00 1.69 H new ATOM 0 HG23 THR A 110 6.021 -2.188 -15.812 1.00 1.69 H new ATOM 1717 N THR A 111 4.999 -5.273 -17.780 1.00 0.00 N ATOM 1718 CA THR A 111 3.916 -6.135 -17.210 1.00 0.01 C ATOM 1719 C THR A 111 4.447 -6.906 -15.993 1.00 0.01 C ATOM 1720 O THR A 111 3.801 -7.813 -15.505 1.00 0.01 O ATOM 1721 CB THR A 111 3.451 -7.127 -18.281 1.00 0.01 C ATOM 1722 OG1 THR A 111 4.585 -7.736 -18.884 1.00 0.01 O ATOM 1723 CG2 THR A 111 2.638 -6.388 -19.346 1.00 0.01 C ATOM 0 H THR A 111 5.759 -5.789 -18.224 1.00 0.00 H new ATOM 0 HA THR A 111 3.081 -5.509 -16.897 1.00 0.01 H new ATOM 0 HB THR A 111 2.828 -7.894 -17.821 1.00 0.01 H new ATOM 0 HG1 THR A 111 5.047 -8.293 -18.223 1.00 0.01 H new ATOM 0 HG21 THR A 111 2.308 -7.095 -20.107 1.00 0.01 H new ATOM 0 HG22 THR A 111 1.769 -5.922 -18.882 1.00 0.01 H new ATOM 0 HG23 THR A 111 3.258 -5.620 -19.809 1.00 0.01 H new ATOM 1731 N GLU A 112 5.629 -6.578 -15.521 1.00 0.01 N ATOM 1732 CA GLU A 112 6.222 -7.322 -14.354 1.00 0.01 C ATOM 1733 C GLU A 112 6.520 -6.382 -13.179 1.00 0.01 C ATOM 1734 O GLU A 112 6.592 -5.178 -13.329 1.00 0.01 O ATOM 1735 CB GLU A 112 7.530 -7.981 -14.804 1.00 0.85 C ATOM 1736 CG GLU A 112 7.293 -8.774 -16.095 1.00 1.61 C ATOM 1737 CD GLU A 112 7.202 -7.816 -17.286 1.00 2.51 C ATOM 1738 OE1 GLU A 112 7.475 -6.642 -17.103 1.00 3.21 O ATOM 1739 OE2 GLU A 112 6.858 -8.276 -18.363 1.00 3.07 O ATOM 0 H GLU A 112 6.211 -5.827 -15.892 1.00 0.01 H new ATOM 0 HA GLU A 112 5.501 -8.068 -14.020 1.00 0.01 H new ATOM 0 HB2 GLU A 112 8.294 -7.221 -14.968 1.00 0.85 H new ATOM 0 HB3 GLU A 112 7.902 -8.643 -14.022 1.00 0.85 H new ATOM 0 HG2 GLU A 112 8.105 -9.484 -16.250 1.00 1.61 H new ATOM 0 HG3 GLU A 112 6.374 -9.354 -16.012 1.00 1.61 H new ATOM 1746 N ASP A 113 6.725 -6.943 -12.015 1.00 0.01 N ATOM 1747 CA ASP A 113 7.057 -6.116 -10.818 1.00 0.01 C ATOM 1748 C ASP A 113 8.445 -5.509 -11.029 1.00 0.00 C ATOM 1749 O ASP A 113 9.260 -6.047 -11.754 1.00 0.01 O ATOM 1750 CB ASP A 113 7.081 -7.009 -9.573 1.00 0.01 C ATOM 1751 CG ASP A 113 5.650 -7.256 -9.090 1.00 0.01 C ATOM 1752 OD1 ASP A 113 4.737 -6.774 -9.737 1.00 0.00 O ATOM 1753 OD2 ASP A 113 5.494 -7.922 -8.080 1.00 0.00 O ATOM 0 H ASP A 113 6.676 -7.947 -11.842 1.00 0.01 H new ATOM 0 HA ASP A 113 6.313 -5.331 -10.683 1.00 0.01 H new ATOM 0 HB2 ASP A 113 7.567 -7.957 -9.803 1.00 0.01 H new ATOM 0 HB3 ASP A 113 7.665 -6.535 -8.784 1.00 0.01 H new ATOM 1758 N CYS A 114 8.733 -4.408 -10.373 1.00 0.01 N ATOM 1759 CA CYS A 114 10.085 -3.772 -10.494 1.00 0.01 C ATOM 1760 C CYS A 114 10.688 -3.612 -9.078 1.00 0.01 C ATOM 1761 O CYS A 114 10.197 -2.804 -8.307 1.00 0.01 O ATOM 1762 CB CYS A 114 9.925 -2.386 -11.131 1.00 0.01 C ATOM 1763 SG CYS A 114 9.838 -2.567 -12.930 1.00 0.01 S ATOM 0 H CYS A 114 8.085 -3.920 -9.755 1.00 0.01 H new ATOM 0 HA CYS A 114 10.739 -4.390 -11.110 1.00 0.01 H new ATOM 0 HB2 CYS A 114 9.022 -1.903 -10.758 1.00 0.01 H new ATOM 0 HB3 CYS A 114 10.765 -1.747 -10.858 1.00 0.01 H new ATOM 0 HG CYS A 114 8.605 -2.432 -13.321 1.00 0.01 H new ATOM 1769 N PRO A 115 11.745 -4.337 -8.720 1.00 0.01 N ATOM 1770 CA PRO A 115 12.347 -4.176 -7.363 1.00 0.01 C ATOM 1771 C PRO A 115 13.182 -2.894 -7.269 1.00 0.01 C ATOM 1772 O PRO A 115 13.278 -2.287 -6.218 1.00 0.01 O ATOM 1773 CB PRO A 115 13.224 -5.434 -7.242 1.00 0.01 C ATOM 1774 CG PRO A 115 13.446 -5.991 -8.660 1.00 0.01 C ATOM 1775 CD PRO A 115 12.400 -5.354 -9.597 1.00 0.01 C ATOM 0 HA PRO A 115 11.609 -4.083 -6.566 1.00 0.01 H new ATOM 0 HB2 PRO A 115 14.178 -5.191 -6.773 1.00 0.01 H new ATOM 0 HB3 PRO A 115 12.739 -6.179 -6.611 1.00 0.01 H new ATOM 0 HG2 PRO A 115 14.454 -5.762 -9.005 1.00 0.01 H new ATOM 0 HG3 PRO A 115 13.347 -7.076 -8.662 1.00 0.01 H new ATOM 0 HD2 PRO A 115 12.865 -4.896 -10.470 1.00 0.01 H new ATOM 0 HD3 PRO A 115 11.686 -6.090 -9.966 1.00 0.01 H new ATOM 1783 N SER A 116 13.793 -2.481 -8.350 1.00 0.01 N ATOM 1784 CA SER A 116 14.625 -1.241 -8.326 1.00 0.02 C ATOM 1785 C SER A 116 14.410 -0.485 -9.637 1.00 0.01 C ATOM 1786 O SER A 116 14.847 -0.899 -10.695 1.00 0.00 O ATOM 1787 CB SER A 116 16.098 -1.619 -8.178 1.00 0.01 C ATOM 1788 OG SER A 116 16.907 -0.509 -8.539 1.00 0.01 O ATOM 0 H SER A 116 13.751 -2.953 -9.253 1.00 0.01 H new ATOM 0 HA SER A 116 14.337 -0.610 -7.485 1.00 0.02 H new ATOM 0 HB2 SER A 116 16.307 -1.917 -7.151 1.00 0.01 H new ATOM 0 HB3 SER A 116 16.331 -2.475 -8.812 1.00 0.01 H new ATOM 0 HG SER A 116 17.852 -0.748 -8.443 1.00 0.01 H new ATOM 1794 N ILE A 117 13.697 0.605 -9.567 1.00 0.01 N ATOM 1795 CA ILE A 117 13.387 1.398 -10.789 1.00 0.01 C ATOM 1796 C ILE A 117 14.657 1.986 -11.401 1.00 0.01 C ATOM 1797 O ILE A 117 14.786 2.055 -12.606 1.00 0.00 O ATOM 1798 CB ILE A 117 12.426 2.524 -10.410 1.00 0.57 C ATOM 1799 CG1 ILE A 117 11.071 1.912 -10.054 1.00 1.44 C ATOM 1800 CG2 ILE A 117 12.254 3.492 -11.582 1.00 0.93 C ATOM 1801 CD1 ILE A 117 10.182 2.973 -9.410 1.00 1.83 C ATOM 0 H ILE A 117 13.311 0.985 -8.703 1.00 0.01 H new ATOM 0 HA ILE A 117 12.931 0.743 -11.531 1.00 0.01 H new ATOM 0 HB ILE A 117 12.829 3.073 -9.559 1.00 0.57 H new ATOM 0 HG12 ILE A 117 10.592 1.517 -10.950 1.00 1.44 H new ATOM 0 HG13 ILE A 117 11.208 1.074 -9.370 1.00 1.44 H new ATOM 0 HG21 ILE A 117 11.567 4.289 -11.298 1.00 0.93 H new ATOM 0 HG22 ILE A 117 13.221 3.922 -11.843 1.00 0.93 H new ATOM 0 HG23 ILE A 117 11.852 2.955 -12.441 1.00 0.93 H new ATOM 0 HD11 ILE A 117 9.217 2.534 -9.157 1.00 1.83 H new ATOM 0 HD12 ILE A 117 10.659 3.347 -8.504 1.00 1.83 H new ATOM 0 HD13 ILE A 117 10.034 3.797 -10.108 1.00 1.83 H new ATOM 1813 N MET A 118 15.574 2.445 -10.594 1.00 0.02 N ATOM 1814 CA MET A 118 16.800 3.058 -11.171 1.00 0.01 C ATOM 1815 C MET A 118 17.627 1.992 -11.885 1.00 0.01 C ATOM 1816 O MET A 118 18.200 2.241 -12.921 1.00 0.02 O ATOM 1817 CB MET A 118 17.635 3.717 -10.065 1.00 0.24 C ATOM 1818 CG MET A 118 18.789 4.517 -10.681 1.00 0.63 C ATOM 1819 SD MET A 118 20.124 3.393 -11.160 1.00 1.20 S ATOM 1820 CE MET A 118 21.190 4.630 -11.941 1.00 1.34 C ATOM 0 H MET A 118 15.528 2.423 -9.575 1.00 0.02 H new ATOM 0 HA MET A 118 16.506 3.822 -11.890 1.00 0.01 H new ATOM 0 HB2 MET A 118 17.005 4.375 -9.466 1.00 0.24 H new ATOM 0 HB3 MET A 118 18.029 2.955 -9.393 1.00 0.24 H new ATOM 0 HG2 MET A 118 18.437 5.070 -11.552 1.00 0.63 H new ATOM 0 HG3 MET A 118 19.158 5.251 -9.965 1.00 0.63 H new ATOM 0 HE1 MET A 118 22.092 4.148 -12.317 1.00 1.34 H new ATOM 0 HE2 MET A 118 20.658 5.099 -12.769 1.00 1.34 H new ATOM 0 HE3 MET A 118 21.463 5.390 -11.209 1.00 1.34 H new ATOM 1830 N GLU A 119 17.702 0.807 -11.359 1.00 0.01 N ATOM 1831 CA GLU A 119 18.507 -0.240 -12.042 1.00 0.02 C ATOM 1832 C GLU A 119 17.824 -0.650 -13.348 1.00 0.02 C ATOM 1833 O GLU A 119 18.471 -0.945 -14.334 1.00 0.01 O ATOM 1834 CB GLU A 119 18.635 -1.460 -11.122 1.00 0.30 C ATOM 1835 CG GLU A 119 19.489 -2.543 -11.799 1.00 0.99 C ATOM 1836 CD GLU A 119 18.631 -3.346 -12.781 1.00 1.69 C ATOM 1837 OE1 GLU A 119 17.719 -4.017 -12.327 1.00 2.07 O ATOM 1838 OE2 GLU A 119 18.902 -3.275 -13.968 1.00 2.11 O ATOM 0 H GLU A 119 17.246 0.518 -10.494 1.00 0.01 H new ATOM 0 HA GLU A 119 19.498 0.154 -12.267 1.00 0.02 H new ATOM 0 HB2 GLU A 119 19.089 -1.166 -10.176 1.00 0.30 H new ATOM 0 HB3 GLU A 119 17.646 -1.857 -10.891 1.00 0.30 H new ATOM 0 HG2 GLU A 119 20.325 -2.083 -12.325 1.00 0.99 H new ATOM 0 HG3 GLU A 119 19.913 -3.207 -11.046 1.00 0.99 H new ATOM 1845 N GLN A 120 16.522 -0.730 -13.344 1.00 0.00 N ATOM 1846 CA GLN A 120 15.796 -1.189 -14.564 1.00 0.01 C ATOM 1847 C GLN A 120 15.652 -0.078 -15.610 1.00 0.01 C ATOM 1848 O GLN A 120 15.851 -0.304 -16.787 1.00 0.01 O ATOM 1849 CB GLN A 120 14.399 -1.665 -14.160 1.00 0.52 C ATOM 1850 CG GLN A 120 13.785 -2.474 -15.305 1.00 1.07 C ATOM 1851 CD GLN A 120 14.445 -3.852 -15.369 1.00 1.08 C ATOM 1852 OE1 GLN A 120 14.352 -4.628 -14.439 1.00 0.98 O ATOM 1853 NE2 GLN A 120 15.116 -4.191 -16.435 1.00 2.08 N ATOM 0 H GLN A 120 15.928 -0.497 -12.548 1.00 0.00 H new ATOM 0 HA GLN A 120 16.378 -1.996 -15.010 1.00 0.01 H new ATOM 0 HB2 GLN A 120 14.458 -2.276 -13.259 1.00 0.52 H new ATOM 0 HB3 GLN A 120 13.766 -0.810 -13.924 1.00 0.52 H new ATOM 0 HG2 GLN A 120 12.711 -2.580 -15.154 1.00 1.07 H new ATOM 0 HG3 GLN A 120 13.923 -1.949 -16.250 1.00 1.07 H new ATOM 0 HE21 GLN A 120 15.195 -3.540 -17.216 1.00 2.08 H new ATOM 0 HE22 GLN A 120 15.562 -5.107 -16.487 1.00 2.08 H new ATOM 1862 N PHE A 121 15.236 1.096 -15.199 1.00 0.02 N ATOM 1863 CA PHE A 121 14.990 2.206 -16.183 1.00 0.01 C ATOM 1864 C PHE A 121 15.989 3.357 -16.039 1.00 0.01 C ATOM 1865 O PHE A 121 15.929 4.325 -16.771 1.00 0.01 O ATOM 1866 CB PHE A 121 13.568 2.730 -15.975 1.00 0.01 C ATOM 1867 CG PHE A 121 12.593 1.603 -16.230 1.00 0.01 C ATOM 1868 CD1 PHE A 121 12.340 1.184 -17.540 1.00 0.01 C ATOM 1869 CD2 PHE A 121 11.949 0.972 -15.157 1.00 0.01 C ATOM 1870 CE1 PHE A 121 11.445 0.136 -17.781 1.00 0.01 C ATOM 1871 CE2 PHE A 121 11.053 -0.076 -15.398 1.00 0.01 C ATOM 1872 CZ PHE A 121 10.801 -0.495 -16.710 1.00 0.01 C ATOM 0 H PHE A 121 15.055 1.337 -14.224 1.00 0.02 H new ATOM 0 HA PHE A 121 15.119 1.802 -17.187 1.00 0.01 H new ATOM 0 HB2 PHE A 121 13.450 3.109 -14.960 1.00 0.01 H new ATOM 0 HB3 PHE A 121 13.369 3.562 -16.651 1.00 0.01 H new ATOM 0 HD1 PHE A 121 12.836 1.670 -18.367 1.00 0.01 H new ATOM 0 HD2 PHE A 121 12.144 1.294 -14.145 1.00 0.01 H new ATOM 0 HE1 PHE A 121 11.251 -0.186 -18.793 1.00 0.01 H new ATOM 0 HE2 PHE A 121 10.556 -0.562 -14.571 1.00 0.01 H new ATOM 0 HZ PHE A 121 10.110 -1.304 -16.896 1.00 0.01 H new ATOM 1882 N HIS A 122 16.907 3.276 -15.117 1.00 0.01 N ATOM 1883 CA HIS A 122 17.893 4.381 -14.954 1.00 0.01 C ATOM 1884 C HIS A 122 17.161 5.678 -14.591 1.00 0.01 C ATOM 1885 O HIS A 122 17.569 6.758 -14.973 1.00 0.02 O ATOM 1886 CB HIS A 122 18.674 4.557 -16.264 1.00 0.01 C ATOM 1887 CG HIS A 122 18.903 3.211 -16.894 1.00 0.01 C ATOM 1888 ND1 HIS A 122 18.172 2.775 -17.989 1.00 0.01 N ATOM 1889 CD2 HIS A 122 19.772 2.191 -16.595 1.00 0.01 C ATOM 1890 CE1 HIS A 122 18.611 1.543 -18.306 1.00 0.00 C ATOM 1891 NE2 HIS A 122 19.587 1.139 -17.487 1.00 0.01 N ATOM 0 H HIS A 122 17.017 2.495 -14.471 1.00 0.01 H new ATOM 0 HA HIS A 122 18.590 4.139 -14.152 1.00 0.01 H new ATOM 0 HB2 HIS A 122 18.120 5.201 -16.947 1.00 0.01 H new ATOM 0 HB3 HIS A 122 19.628 5.046 -16.068 1.00 0.01 H new ATOM 0 HD2 HIS A 122 20.491 2.203 -15.789 1.00 0.01 H new ATOM 0 HE1 HIS A 122 18.222 0.953 -19.123 1.00 0.00 H new ATOM 0 HE2 HIS A 122 20.088 0.251 -17.511 1.00 0.01 H new ATOM 1899 N LEU A 123 16.079 5.578 -13.847 1.00 0.01 N ATOM 1900 CA LEU A 123 15.306 6.805 -13.445 1.00 0.01 C ATOM 1901 C LEU A 123 15.407 6.991 -11.930 1.00 0.02 C ATOM 1902 O LEU A 123 15.296 6.049 -11.169 1.00 0.01 O ATOM 1903 CB LEU A 123 13.834 6.641 -13.835 1.00 0.01 C ATOM 1904 CG LEU A 123 13.729 6.196 -15.294 1.00 0.01 C ATOM 1905 CD1 LEU A 123 12.259 5.959 -15.647 1.00 0.01 C ATOM 1906 CD2 LEU A 123 14.311 7.280 -16.211 1.00 0.01 C ATOM 0 H LEU A 123 15.697 4.698 -13.500 1.00 0.01 H new ATOM 0 HA LEU A 123 15.720 7.675 -13.954 1.00 0.01 H new ATOM 0 HB2 LEU A 123 13.357 5.907 -13.186 1.00 0.01 H new ATOM 0 HB3 LEU A 123 13.304 7.583 -13.694 1.00 0.01 H new ATOM 0 HG LEU A 123 14.291 5.272 -15.432 1.00 0.01 H new ATOM 0 HD11 LEU A 123 12.181 5.642 -16.687 1.00 0.01 H new ATOM 0 HD12 LEU A 123 11.850 5.184 -14.999 1.00 0.01 H new ATOM 0 HD13 LEU A 123 11.698 6.883 -15.507 1.00 0.01 H new ATOM 0 HD21 LEU A 123 14.234 6.958 -17.249 1.00 0.01 H new ATOM 0 HD22 LEU A 123 13.755 8.208 -16.076 1.00 0.01 H new ATOM 0 HD23 LEU A 123 15.359 7.445 -15.959 1.00 0.01 H new ATOM 1918 N ARG A 124 15.631 8.200 -11.484 1.00 0.01 N ATOM 1919 CA ARG A 124 15.753 8.450 -10.016 1.00 0.00 C ATOM 1920 C ARG A 124 14.380 8.760 -9.409 1.00 0.01 C ATOM 1921 O ARG A 124 14.179 8.627 -8.217 1.00 0.01 O ATOM 1922 CB ARG A 124 16.685 9.642 -9.781 1.00 1.67 C ATOM 1923 CG ARG A 124 16.225 10.826 -10.633 1.00 1.98 C ATOM 1924 CD ARG A 124 17.026 12.075 -10.263 1.00 2.92 C ATOM 1925 NE ARG A 124 16.355 13.277 -10.834 1.00 3.54 N ATOM 1926 CZ ARG A 124 16.684 14.467 -10.415 1.00 4.57 C ATOM 1927 NH1 ARG A 124 17.600 14.603 -9.495 1.00 5.25 N ATOM 1928 NH2 ARG A 124 16.097 15.521 -10.914 1.00 5.32 N ATOM 0 H ARG A 124 15.735 9.026 -12.073 1.00 0.01 H new ATOM 0 HA ARG A 124 16.158 7.557 -9.540 1.00 0.00 H new ATOM 0 HB2 ARG A 124 16.682 9.917 -8.726 1.00 1.67 H new ATOM 0 HB3 ARG A 124 17.709 9.372 -10.037 1.00 1.67 H new ATOM 0 HG2 ARG A 124 16.358 10.598 -11.691 1.00 1.98 H new ATOM 0 HG3 ARG A 124 15.161 11.006 -10.477 1.00 1.98 H new ATOM 0 HD2 ARG A 124 17.100 12.166 -9.179 1.00 2.92 H new ATOM 0 HD3 ARG A 124 18.043 11.996 -10.646 1.00 2.92 H new ATOM 0 HE ARG A 124 15.639 13.169 -11.552 1.00 3.54 H new ATOM 0 HH11 ARG A 124 18.057 13.779 -9.105 1.00 5.25 H new ATOM 0 HH12 ARG A 124 17.858 15.533 -9.166 1.00 5.25 H new ATOM 0 HH21 ARG A 124 15.381 15.414 -11.632 1.00 5.32 H new ATOM 0 HH22 ARG A 124 16.355 16.452 -10.586 1.00 5.32 H new ATOM 1942 N GLU A 125 13.435 9.191 -10.208 1.00 0.01 N ATOM 1943 CA GLU A 125 12.087 9.531 -9.658 1.00 0.01 C ATOM 1944 C GLU A 125 11.006 9.293 -10.718 1.00 0.01 C ATOM 1945 O GLU A 125 11.287 9.159 -11.892 1.00 0.01 O ATOM 1946 CB GLU A 125 12.062 11.007 -9.256 1.00 0.01 C ATOM 1947 CG GLU A 125 12.910 11.213 -7.998 1.00 0.01 C ATOM 1948 CD GLU A 125 12.691 12.628 -7.462 1.00 0.02 C ATOM 1949 OE1 GLU A 125 12.646 13.544 -8.265 1.00 0.01 O ATOM 1950 OE2 GLU A 125 12.570 12.771 -6.255 1.00 0.02 O ATOM 0 H GLU A 125 13.539 9.322 -11.214 1.00 0.01 H new ATOM 0 HA GLU A 125 11.891 8.898 -8.792 1.00 0.01 H new ATOM 0 HB2 GLU A 125 12.446 11.622 -10.070 1.00 0.01 H new ATOM 0 HB3 GLU A 125 11.036 11.326 -9.071 1.00 0.01 H new ATOM 0 HG2 GLU A 125 12.638 10.479 -7.239 1.00 0.01 H new ATOM 0 HG3 GLU A 125 13.964 11.059 -8.228 1.00 0.01 H new ATOM 1957 N ILE A 126 9.764 9.268 -10.303 1.00 0.01 N ATOM 1958 CA ILE A 126 8.630 9.074 -11.259 1.00 0.01 C ATOM 1959 C ILE A 126 7.608 10.179 -10.980 1.00 0.01 C ATOM 1960 O ILE A 126 7.218 10.384 -9.846 1.00 0.01 O ATOM 1961 CB ILE A 126 7.968 7.710 -11.015 1.00 1.33 C ATOM 1962 CG1 ILE A 126 9.029 6.585 -11.042 1.00 1.49 C ATOM 1963 CG2 ILE A 126 6.904 7.458 -12.091 1.00 2.17 C ATOM 1964 CD1 ILE A 126 9.416 6.208 -12.482 1.00 1.70 C ATOM 0 H ILE A 126 9.484 9.375 -9.328 1.00 0.01 H new ATOM 0 HA ILE A 126 8.988 9.112 -12.288 1.00 0.01 H new ATOM 0 HB ILE A 126 7.494 7.714 -10.033 1.00 1.33 H new ATOM 0 HG12 ILE A 126 9.917 6.908 -10.498 1.00 1.49 H new ATOM 0 HG13 ILE A 126 8.642 5.706 -10.526 1.00 1.49 H new ATOM 0 HG21 ILE A 126 6.434 6.490 -11.918 1.00 2.17 H new ATOM 0 HG22 ILE A 126 6.148 8.242 -12.046 1.00 2.17 H new ATOM 0 HG23 ILE A 126 7.373 7.463 -13.075 1.00 2.17 H new ATOM 0 HD11 ILE A 126 10.163 5.415 -12.462 1.00 1.70 H new ATOM 0 HD12 ILE A 126 8.532 5.861 -13.017 1.00 1.70 H new ATOM 0 HD13 ILE A 126 9.827 7.081 -12.989 1.00 1.70 H new ATOM 1976 N HIS A 127 7.211 10.933 -11.983 1.00 0.01 N ATOM 1977 CA HIS A 127 6.258 12.069 -11.737 1.00 0.01 C ATOM 1978 C HIS A 127 4.862 11.796 -12.296 1.00 0.01 C ATOM 1979 O HIS A 127 3.915 12.483 -11.967 1.00 0.01 O ATOM 1980 CB HIS A 127 6.814 13.346 -12.369 1.00 0.02 C ATOM 1981 CG HIS A 127 8.196 13.604 -11.835 1.00 0.01 C ATOM 1982 ND1 HIS A 127 9.091 14.445 -12.477 1.00 0.01 N ATOM 1983 CD2 HIS A 127 8.850 13.142 -10.720 1.00 0.01 C ATOM 1984 CE1 HIS A 127 10.223 14.464 -11.750 1.00 0.01 C ATOM 1985 NE2 HIS A 127 10.130 13.686 -10.668 1.00 0.02 N ATOM 0 H HIS A 127 7.503 10.813 -12.953 1.00 0.01 H new ATOM 0 HA HIS A 127 6.162 12.183 -10.657 1.00 0.01 H new ATOM 0 HB2 HIS A 127 6.844 13.245 -13.454 1.00 0.02 H new ATOM 0 HB3 HIS A 127 6.162 14.190 -12.145 1.00 0.02 H new ATOM 0 HD2 HIS A 127 8.434 12.460 -9.993 1.00 0.01 H new ATOM 0 HE1 HIS A 127 11.100 15.038 -12.010 1.00 0.01 H new ATOM 0 HE2 HIS A 127 10.843 13.525 -9.957 1.00 0.02 H new ATOM 1993 N SER A 128 4.706 10.793 -13.115 1.00 0.01 N ATOM 1994 CA SER A 128 3.352 10.476 -13.654 1.00 0.01 C ATOM 1995 C SER A 128 3.333 9.018 -14.107 1.00 0.01 C ATOM 1996 O SER A 128 4.354 8.460 -14.461 1.00 0.01 O ATOM 1997 CB SER A 128 3.046 11.383 -14.849 1.00 0.01 C ATOM 1998 OG SER A 128 2.734 12.687 -14.381 1.00 0.01 O ATOM 0 H SER A 128 5.456 10.180 -13.434 1.00 0.01 H new ATOM 0 HA SER A 128 2.601 10.638 -12.881 1.00 0.01 H new ATOM 0 HB2 SER A 128 3.904 11.421 -15.521 1.00 0.01 H new ATOM 0 HB3 SER A 128 2.211 10.980 -15.421 1.00 0.01 H new ATOM 0 HG SER A 128 2.800 12.708 -13.403 1.00 0.01 H new ATOM 2004 N CYS A 129 2.190 8.385 -14.087 1.00 0.01 N ATOM 2005 CA CYS A 129 2.126 6.961 -14.507 1.00 0.01 C ATOM 2006 C CYS A 129 0.663 6.564 -14.714 1.00 0.00 C ATOM 2007 O CYS A 129 -0.210 6.995 -13.982 1.00 0.01 O ATOM 2008 CB CYS A 129 2.754 6.082 -13.423 1.00 0.69 C ATOM 2009 SG CYS A 129 2.349 4.344 -13.737 1.00 1.22 S ATOM 0 H CYS A 129 1.301 8.794 -13.798 1.00 0.01 H new ATOM 0 HA CYS A 129 2.674 6.825 -15.439 1.00 0.01 H new ATOM 0 HB2 CYS A 129 3.836 6.217 -13.413 1.00 0.69 H new ATOM 0 HB3 CYS A 129 2.386 6.380 -12.441 1.00 0.69 H new ATOM 0 HG CYS A 129 2.376 4.116 -15.017 1.00 1.22 H new ATOM 2015 N LYS A 130 0.381 5.745 -15.704 1.00 0.01 N ATOM 2016 CA LYS A 130 -1.037 5.323 -15.949 1.00 0.01 C ATOM 2017 C LYS A 130 -1.130 3.796 -15.908 1.00 0.01 C ATOM 2018 O LYS A 130 -0.738 3.095 -16.813 1.00 0.01 O ATOM 2019 CB LYS A 130 -1.496 5.840 -17.318 1.00 0.55 C ATOM 2020 CG LYS A 130 -2.879 5.267 -17.647 1.00 0.80 C ATOM 2021 CD LYS A 130 -3.524 6.094 -18.763 1.00 0.29 C ATOM 2022 CE LYS A 130 -2.591 6.135 -19.977 1.00 0.33 C ATOM 2023 NZ LYS A 130 -3.351 6.605 -21.169 1.00 1.41 N ATOM 0 H LYS A 130 1.068 5.353 -16.349 1.00 0.01 H new ATOM 0 HA LYS A 130 -1.682 5.741 -15.176 1.00 0.01 H new ATOM 0 HB2 LYS A 130 -1.535 6.929 -17.312 1.00 0.55 H new ATOM 0 HB3 LYS A 130 -0.779 5.550 -18.086 1.00 0.55 H new ATOM 0 HG2 LYS A 130 -2.788 4.226 -17.958 1.00 0.80 H new ATOM 0 HG3 LYS A 130 -3.510 5.281 -16.759 1.00 0.80 H new ATOM 0 HD2 LYS A 130 -4.483 5.659 -19.044 1.00 0.29 H new ATOM 0 HD3 LYS A 130 -3.723 7.106 -18.411 1.00 0.29 H new ATOM 0 HE2 LYS A 130 -1.751 6.801 -19.782 1.00 0.33 H new ATOM 0 HE3 LYS A 130 -2.176 5.145 -20.164 1.00 0.33 H new ATOM 0 HZ1 LYS A 130 -2.719 6.634 -21.995 1.00 1.41 H new ATOM 0 HZ2 LYS A 130 -4.138 5.952 -21.358 1.00 1.41 H new ATOM 0 HZ3 LYS A 130 -3.727 7.558 -20.988 1.00 1.41 H new ATOM 2037 N VAL A 131 -1.673 3.295 -14.839 1.00 0.01 N ATOM 2038 CA VAL A 131 -1.854 1.827 -14.655 1.00 0.01 C ATOM 2039 C VAL A 131 -3.343 1.534 -14.753 1.00 0.01 C ATOM 2040 O VAL A 131 -4.138 2.216 -14.139 1.00 0.01 O ATOM 2041 CB VAL A 131 -1.335 1.412 -13.278 1.00 0.01 C ATOM 2042 CG1 VAL A 131 -2.140 2.126 -12.187 1.00 0.01 C ATOM 2043 CG2 VAL A 131 -1.489 -0.102 -13.116 1.00 0.01 C ATOM 0 H VAL A 131 -2.011 3.858 -14.059 1.00 0.01 H new ATOM 0 HA VAL A 131 -1.302 1.272 -15.414 1.00 0.01 H new ATOM 0 HB VAL A 131 -0.284 1.686 -13.188 1.00 0.01 H new ATOM 0 HG11 VAL A 131 -1.768 1.828 -11.207 1.00 0.01 H new ATOM 0 HG12 VAL A 131 -2.034 3.205 -12.303 1.00 0.01 H new ATOM 0 HG13 VAL A 131 -3.192 1.854 -12.274 1.00 0.01 H new ATOM 0 HG21 VAL A 131 -1.120 -0.402 -12.135 1.00 0.01 H new ATOM 0 HG22 VAL A 131 -2.541 -0.372 -13.206 1.00 0.01 H new ATOM 0 HG23 VAL A 131 -0.916 -0.611 -13.891 1.00 0.01 H new ATOM 2105 N TRP A 136 -2.378 -1.634 -7.313 1.00 0.01 N ATOM 2106 CA TRP A 136 -0.890 -1.609 -7.525 1.00 0.01 C ATOM 2107 C TRP A 136 -0.259 -0.947 -6.295 1.00 0.01 C ATOM 2108 O TRP A 136 -0.831 -0.037 -5.730 1.00 0.00 O ATOM 2109 CB TRP A 136 -0.555 -0.809 -8.791 1.00 0.01 C ATOM 2110 CG TRP A 136 -0.679 -1.693 -9.991 1.00 0.01 C ATOM 2111 CD1 TRP A 136 -1.841 -2.192 -10.467 1.00 0.01 C ATOM 2112 CD2 TRP A 136 0.371 -2.191 -10.867 1.00 0.01 C ATOM 2113 NE1 TRP A 136 -1.573 -2.962 -11.584 1.00 0.00 N ATOM 2114 CE2 TRP A 136 -0.222 -2.993 -11.871 1.00 0.01 C ATOM 2115 CE3 TRP A 136 1.767 -2.024 -10.889 1.00 0.01 C ATOM 2116 CZ2 TRP A 136 0.543 -3.608 -12.861 1.00 0.01 C ATOM 2117 CZ3 TRP A 136 2.539 -2.642 -11.886 1.00 0.01 C ATOM 2118 CH2 TRP A 136 1.929 -3.431 -12.870 1.00 0.01 C ATOM 0 HA TRP A 136 -0.502 -2.619 -7.653 1.00 0.01 H new ATOM 0 HB2 TRP A 136 -1.228 0.043 -8.884 1.00 0.01 H new ATOM 0 HB3 TRP A 136 0.457 -0.410 -8.724 1.00 0.01 H new ATOM 0 HD1 TRP A 136 -2.819 -2.018 -10.044 1.00 0.01 H new ATOM 0 HE1 TRP A 136 -2.285 -3.447 -12.129 1.00 0.00 H new ATOM 0 HE3 TRP A 136 2.248 -1.418 -10.136 1.00 0.01 H new ATOM 0 HZ2 TRP A 136 0.068 -4.217 -13.616 1.00 0.01 H new ATOM 0 HZ3 TRP A 136 3.611 -2.508 -11.894 1.00 0.01 H new ATOM 0 HH2 TRP A 136 2.529 -3.902 -13.634 1.00 0.01 H new ATOM 2129 N ILE A 137 0.920 -1.365 -5.872 1.00 0.01 N ATOM 2130 CA ILE A 137 1.564 -0.716 -4.681 1.00 0.00 C ATOM 2131 C ILE A 137 2.898 -0.093 -5.096 1.00 0.01 C ATOM 2132 O ILE A 137 3.692 -0.699 -5.785 1.00 0.01 O ATOM 2133 CB ILE A 137 1.863 -1.760 -3.593 1.00 0.60 C ATOM 2134 CG1 ILE A 137 0.651 -2.656 -3.339 1.00 1.32 C ATOM 2135 CG2 ILE A 137 2.232 -1.035 -2.296 1.00 1.37 C ATOM 2136 CD1 ILE A 137 1.073 -3.799 -2.402 1.00 1.69 C ATOM 0 H ILE A 137 1.457 -2.121 -6.298 1.00 0.01 H new ATOM 0 HA ILE A 137 0.879 0.040 -4.298 1.00 0.00 H new ATOM 0 HB ILE A 137 2.688 -2.386 -3.931 1.00 0.60 H new ATOM 0 HG12 ILE A 137 -0.158 -2.079 -2.891 1.00 1.32 H new ATOM 0 HG13 ILE A 137 0.274 -3.058 -4.280 1.00 1.32 H new ATOM 0 HG21 ILE A 137 2.446 -1.768 -1.518 1.00 1.37 H new ATOM 0 HG22 ILE A 137 3.113 -0.416 -2.463 1.00 1.37 H new ATOM 0 HG23 ILE A 137 1.400 -0.405 -1.982 1.00 1.37 H new ATOM 0 HD11 ILE A 137 0.218 -4.448 -2.211 1.00 1.69 H new ATOM 0 HD12 ILE A 137 1.870 -4.377 -2.870 1.00 1.69 H new ATOM 0 HD13 ILE A 137 1.431 -3.384 -1.460 1.00 1.69 H new ATOM 2148 N PHE A 138 3.153 1.107 -4.647 1.00 0.01 N ATOM 2149 CA PHE A 138 4.444 1.804 -4.957 1.00 0.01 C ATOM 2150 C PHE A 138 5.218 1.888 -3.634 1.00 0.01 C ATOM 2151 O PHE A 138 4.631 2.104 -2.599 1.00 0.00 O ATOM 2152 CB PHE A 138 4.137 3.222 -5.486 1.00 1.11 C ATOM 2153 CG PHE A 138 4.055 3.253 -7.004 1.00 1.11 C ATOM 2154 CD1 PHE A 138 3.616 2.136 -7.739 1.00 1.54 C ATOM 2155 CD2 PHE A 138 4.421 4.422 -7.678 1.00 1.46 C ATOM 2156 CE1 PHE A 138 3.551 2.201 -9.137 1.00 2.35 C ATOM 2157 CE2 PHE A 138 4.357 4.484 -9.074 1.00 2.01 C ATOM 2158 CZ PHE A 138 3.922 3.372 -9.804 1.00 2.49 C ATOM 0 H PHE A 138 2.511 1.647 -4.067 1.00 0.01 H new ATOM 0 HA PHE A 138 5.023 1.274 -5.714 1.00 0.01 H new ATOM 0 HB2 PHE A 138 3.195 3.571 -5.064 1.00 1.11 H new ATOM 0 HB3 PHE A 138 4.912 3.911 -5.150 1.00 1.11 H new ATOM 0 HD1 PHE A 138 3.330 1.230 -7.226 1.00 1.54 H new ATOM 0 HD2 PHE A 138 4.755 5.282 -7.117 1.00 1.46 H new ATOM 0 HE1 PHE A 138 3.213 1.344 -9.701 1.00 2.35 H new ATOM 0 HE2 PHE A 138 4.643 5.390 -9.588 1.00 2.01 H new ATOM 0 HZ PHE A 138 3.873 3.419 -10.882 1.00 2.49 H new ATOM 2168 N TYR A 139 6.524 1.725 -3.654 1.00 0.01 N ATOM 2169 CA TYR A 139 7.328 1.801 -2.386 1.00 0.01 C ATOM 2170 C TYR A 139 8.393 2.896 -2.524 1.00 0.01 C ATOM 2171 O TYR A 139 8.922 3.131 -3.598 1.00 0.01 O ATOM 2172 CB TYR A 139 8.020 0.451 -2.139 1.00 0.01 C ATOM 2173 CG TYR A 139 7.050 -0.536 -1.525 1.00 0.01 C ATOM 2174 CD1 TYR A 139 6.067 -1.140 -2.317 1.00 0.01 C ATOM 2175 CD2 TYR A 139 7.154 -0.866 -0.168 1.00 0.01 C ATOM 2176 CE1 TYR A 139 5.187 -2.071 -1.752 1.00 0.01 C ATOM 2177 CE2 TYR A 139 6.273 -1.794 0.397 1.00 0.02 C ATOM 2178 CZ TYR A 139 5.290 -2.398 -0.395 1.00 0.02 C ATOM 2179 OH TYR A 139 4.422 -3.315 0.162 1.00 0.00 O ATOM 0 H TYR A 139 7.069 1.542 -4.496 1.00 0.01 H new ATOM 0 HA TYR A 139 6.668 2.034 -1.550 1.00 0.01 H new ATOM 0 HB2 TYR A 139 8.405 0.055 -3.079 1.00 0.01 H new ATOM 0 HB3 TYR A 139 8.875 0.589 -1.477 1.00 0.01 H new ATOM 0 HD1 TYR A 139 5.987 -0.888 -3.364 1.00 0.01 H new ATOM 0 HD2 TYR A 139 7.915 -0.404 0.443 1.00 0.01 H new ATOM 0 HE1 TYR A 139 4.428 -2.537 -2.363 1.00 0.01 H new ATOM 0 HE2 TYR A 139 6.351 -2.044 1.445 1.00 0.02 H new ATOM 0 HH TYR A 139 3.629 -2.850 0.502 1.00 0.00 H new ATOM 2189 N GLU A 140 8.663 3.602 -1.453 1.00 0.01 N ATOM 2190 CA GLU A 140 9.635 4.731 -1.501 1.00 0.02 C ATOM 2191 C GLU A 140 11.086 4.234 -1.523 1.00 0.01 C ATOM 2192 O GLU A 140 11.944 4.897 -2.070 1.00 0.01 O ATOM 2193 CB GLU A 140 9.419 5.578 -0.246 1.00 0.01 C ATOM 2194 CG GLU A 140 10.228 6.873 -0.352 1.00 0.02 C ATOM 2195 CD GLU A 140 9.772 7.842 0.738 1.00 0.02 C ATOM 2196 OE1 GLU A 140 9.351 7.370 1.781 1.00 0.01 O ATOM 2197 OE2 GLU A 140 9.846 9.037 0.510 1.00 0.02 O ATOM 0 H GLU A 140 8.244 3.439 -0.537 1.00 0.01 H new ATOM 0 HA GLU A 140 9.469 5.305 -2.413 1.00 0.02 H new ATOM 0 HB2 GLU A 140 8.360 5.808 -0.129 1.00 0.01 H new ATOM 0 HB3 GLU A 140 9.724 5.019 0.639 1.00 0.01 H new ATOM 0 HG2 GLU A 140 11.292 6.661 -0.245 1.00 0.02 H new ATOM 0 HG3 GLU A 140 10.090 7.322 -1.335 1.00 0.02 H new ATOM 2204 N LEU A 141 11.393 3.099 -0.931 1.00 0.01 N ATOM 2205 CA LEU A 141 12.815 2.606 -0.922 1.00 0.02 C ATOM 2206 C LEU A 141 12.902 1.305 -1.744 1.00 0.01 C ATOM 2207 O LEU A 141 11.930 0.578 -1.842 1.00 0.01 O ATOM 2208 CB LEU A 141 13.203 2.315 0.536 1.00 0.57 C ATOM 2209 CG LEU A 141 13.031 3.580 1.386 1.00 0.81 C ATOM 2210 CD1 LEU A 141 13.236 3.224 2.860 1.00 1.48 C ATOM 2211 CD2 LEU A 141 14.058 4.647 0.965 1.00 1.24 C ATOM 0 H LEU A 141 10.724 2.494 -0.455 1.00 0.01 H new ATOM 0 HA LEU A 141 13.485 3.350 -1.354 1.00 0.02 H new ATOM 0 HB2 LEU A 141 12.582 1.512 0.933 1.00 0.57 H new ATOM 0 HB3 LEU A 141 14.236 1.972 0.585 1.00 0.57 H new ATOM 0 HG LEU A 141 12.028 3.980 1.237 1.00 0.81 H new ATOM 0 HD11 LEU A 141 13.115 4.119 3.471 1.00 1.48 H new ATOM 0 HD12 LEU A 141 12.500 2.478 3.160 1.00 1.48 H new ATOM 0 HD13 LEU A 141 14.239 2.821 3.001 1.00 1.48 H new ATOM 0 HD21 LEU A 141 13.926 5.540 1.576 1.00 1.24 H new ATOM 0 HD22 LEU A 141 15.066 4.257 1.106 1.00 1.24 H new ATOM 0 HD23 LEU A 141 13.910 4.900 -0.085 1.00 1.24 H new ATOM 2223 N PRO A 142 14.051 0.992 -2.331 1.00 0.01 N ATOM 2224 CA PRO A 142 14.178 -0.256 -3.135 1.00 0.01 C ATOM 2225 C PRO A 142 13.752 -1.508 -2.361 1.00 0.01 C ATOM 2226 O PRO A 142 13.621 -1.507 -1.153 1.00 0.01 O ATOM 2227 CB PRO A 142 15.685 -0.295 -3.484 1.00 0.01 C ATOM 2228 CG PRO A 142 16.361 0.958 -2.893 1.00 0.02 C ATOM 2229 CD PRO A 142 15.277 1.844 -2.250 1.00 0.01 C ATOM 0 HA PRO A 142 13.527 -0.251 -4.009 1.00 0.01 H new ATOM 0 HB2 PRO A 142 16.143 -1.198 -3.080 1.00 0.01 H new ATOM 0 HB3 PRO A 142 15.822 -0.324 -4.565 1.00 0.01 H new ATOM 0 HG2 PRO A 142 17.105 0.671 -2.150 1.00 0.02 H new ATOM 0 HG3 PRO A 142 16.886 1.509 -3.674 1.00 0.02 H new ATOM 0 HD2 PRO A 142 15.524 2.099 -1.219 1.00 0.01 H new ATOM 0 HD3 PRO A 142 15.152 2.783 -2.789 1.00 0.01 H new ATOM 2237 N ASN A 143 13.562 -2.576 -3.088 1.00 0.01 N ATOM 2238 CA ASN A 143 13.170 -3.880 -2.479 1.00 0.01 C ATOM 2239 C ASN A 143 11.844 -3.772 -1.726 1.00 0.01 C ATOM 2240 O ASN A 143 11.598 -4.478 -0.767 1.00 0.01 O ATOM 2241 CB ASN A 143 14.261 -4.337 -1.509 1.00 0.23 C ATOM 2242 CG ASN A 143 13.984 -5.778 -1.074 1.00 0.11 C ATOM 2243 OD1 ASN A 143 13.885 -6.062 0.103 1.00 0.75 O ATOM 2244 ND2 ASN A 143 13.850 -6.703 -1.982 1.00 0.56 N ATOM 0 H ASN A 143 13.665 -2.599 -4.103 1.00 0.01 H new ATOM 0 HA ASN A 143 13.048 -4.604 -3.284 1.00 0.01 H new ATOM 0 HB2 ASN A 143 15.238 -4.271 -1.987 1.00 0.23 H new ATOM 0 HB3 ASN A 143 14.287 -3.681 -0.639 1.00 0.23 H new ATOM 0 HD21 ASN A 143 13.662 -7.666 -1.705 1.00 0.56 H new ATOM 0 HD22 ASN A 143 13.933 -6.464 -2.970 1.00 0.56 H new ATOM 2251 N TYR A 144 10.971 -2.920 -2.187 1.00 0.01 N ATOM 2252 CA TYR A 144 9.630 -2.775 -1.552 1.00 0.02 C ATOM 2253 C TYR A 144 9.750 -2.404 -0.069 1.00 0.01 C ATOM 2254 O TYR A 144 9.166 -3.043 0.783 1.00 0.01 O ATOM 2255 CB TYR A 144 8.870 -4.099 -1.693 1.00 0.01 C ATOM 2256 CG TYR A 144 9.197 -4.708 -3.037 1.00 0.01 C ATOM 2257 CD1 TYR A 144 8.960 -3.978 -4.208 1.00 0.01 C ATOM 2258 CD2 TYR A 144 9.745 -5.994 -3.114 1.00 0.01 C ATOM 2259 CE1 TYR A 144 9.269 -4.534 -5.455 1.00 0.01 C ATOM 2260 CE2 TYR A 144 10.055 -6.550 -4.360 1.00 0.01 C ATOM 2261 CZ TYR A 144 9.817 -5.819 -5.532 1.00 0.01 C ATOM 2262 OH TYR A 144 10.123 -6.366 -6.759 1.00 0.01 O ATOM 0 H TYR A 144 11.132 -2.309 -2.988 1.00 0.01 H new ATOM 0 HA TYR A 144 9.091 -1.971 -2.054 1.00 0.02 H new ATOM 0 HB2 TYR A 144 9.150 -4.782 -0.891 1.00 0.01 H new ATOM 0 HB3 TYR A 144 7.797 -3.929 -1.607 1.00 0.01 H new ATOM 0 HD1 TYR A 144 8.539 -2.985 -4.149 1.00 0.01 H new ATOM 0 HD2 TYR A 144 9.929 -6.557 -2.211 1.00 0.01 H new ATOM 0 HE1 TYR A 144 9.084 -3.971 -6.358 1.00 0.01 H new ATOM 0 HE2 TYR A 144 10.478 -7.542 -4.419 1.00 0.01 H new ATOM 0 HH TYR A 144 10.496 -7.263 -6.633 1.00 0.01 H new ATOM 2272 N ARG A 145 10.501 -1.372 0.242 1.00 0.02 N ATOM 2273 CA ARG A 145 10.657 -0.951 1.678 1.00 0.01 C ATOM 2274 C ARG A 145 10.322 0.538 1.829 1.00 0.01 C ATOM 2275 O ARG A 145 10.232 1.265 0.860 1.00 0.01 O ATOM 2276 CB ARG A 145 12.108 -1.193 2.127 1.00 0.01 C ATOM 2277 CG ARG A 145 12.336 -2.693 2.411 1.00 0.02 C ATOM 2278 CD ARG A 145 12.004 -3.021 3.880 1.00 0.01 C ATOM 2279 NE ARG A 145 10.970 -2.079 4.390 1.00 0.01 N ATOM 2280 CZ ARG A 145 10.305 -2.364 5.478 1.00 0.01 C ATOM 2281 NH1 ARG A 145 10.547 -3.477 6.120 1.00 0.02 N ATOM 2282 NH2 ARG A 145 9.398 -1.539 5.923 1.00 0.01 N ATOM 0 H ARG A 145 11.012 -0.803 -0.433 1.00 0.02 H new ATOM 0 HA ARG A 145 9.976 -1.536 2.296 1.00 0.01 H new ATOM 0 HB2 ARG A 145 12.797 -0.853 1.354 1.00 0.01 H new ATOM 0 HB3 ARG A 145 12.321 -0.609 3.023 1.00 0.01 H new ATOM 0 HG2 ARG A 145 11.713 -3.293 1.748 1.00 0.02 H new ATOM 0 HG3 ARG A 145 13.372 -2.956 2.199 1.00 0.02 H new ATOM 0 HD2 ARG A 145 11.645 -4.047 3.960 1.00 0.01 H new ATOM 0 HD3 ARG A 145 12.905 -2.950 4.490 1.00 0.01 H new ATOM 0 HE ARG A 145 10.781 -1.211 3.890 1.00 0.01 H new ATOM 0 HH11 ARG A 145 11.255 -4.123 5.772 1.00 0.02 H new ATOM 0 HH12 ARG A 145 10.028 -3.699 6.969 1.00 0.02 H new ATOM 0 HH21 ARG A 145 9.208 -0.671 5.422 1.00 0.01 H new ATOM 0 HH22 ARG A 145 8.879 -1.762 6.772 1.00 0.01 H new ATOM 2296 N GLY A 146 10.125 0.996 3.042 1.00 0.01 N ATOM 2297 CA GLY A 146 9.790 2.434 3.265 1.00 0.02 C ATOM 2298 C GLY A 146 8.272 2.633 3.204 1.00 0.01 C ATOM 2299 O GLY A 146 7.506 1.691 3.258 1.00 0.02 O ATOM 0 H GLY A 146 10.183 0.431 3.890 1.00 0.01 H new ATOM 0 HA2 GLY A 146 10.169 2.758 4.234 1.00 0.02 H new ATOM 0 HA3 GLY A 146 10.277 3.051 2.510 1.00 0.02 H new ATOM 2303 N ARG A 147 7.838 3.858 3.090 1.00 0.01 N ATOM 2304 CA ARG A 147 6.373 4.132 3.025 1.00 0.01 C ATOM 2305 C ARG A 147 5.833 3.624 1.692 1.00 0.01 C ATOM 2306 O ARG A 147 6.501 3.658 0.675 1.00 0.01 O ATOM 2307 CB ARG A 147 6.130 5.637 3.136 1.00 0.01 C ATOM 2308 CG ARG A 147 4.640 5.888 3.384 1.00 0.01 C ATOM 2309 CD ARG A 147 4.349 7.389 3.334 1.00 0.01 C ATOM 2310 NE ARG A 147 2.884 7.602 3.172 1.00 0.02 N ATOM 2311 CZ ARG A 147 2.366 8.773 3.413 1.00 0.02 C ATOM 2312 NH1 ARG A 147 3.131 9.758 3.798 1.00 0.01 N ATOM 2313 NH2 ARG A 147 1.081 8.961 3.269 1.00 0.02 N ATOM 0 H ARG A 147 8.435 4.683 3.039 1.00 0.01 H new ATOM 0 HA ARG A 147 5.865 3.625 3.846 1.00 0.01 H new ATOM 0 HB2 ARG A 147 6.722 6.054 3.951 1.00 0.01 H new ATOM 0 HB3 ARG A 147 6.448 6.138 2.222 1.00 0.01 H new ATOM 0 HG2 ARG A 147 4.045 5.368 2.633 1.00 0.01 H new ATOM 0 HG3 ARG A 147 4.351 5.485 4.355 1.00 0.01 H new ATOM 0 HD2 ARG A 147 4.699 7.869 4.248 1.00 0.01 H new ATOM 0 HD3 ARG A 147 4.889 7.848 2.506 1.00 0.01 H new ATOM 0 HE ARG A 147 2.286 6.832 2.873 1.00 0.02 H new ATOM 0 HH11 ARG A 147 4.134 9.611 3.910 1.00 0.01 H new ATOM 0 HH12 ARG A 147 2.726 10.675 3.987 1.00 0.01 H new ATOM 0 HH21 ARG A 147 0.484 8.191 2.968 1.00 0.02 H new ATOM 0 HH22 ARG A 147 0.675 9.878 3.458 1.00 0.02 H new ATOM 2327 N GLN A 148 4.631 3.100 1.710 1.00 0.01 N ATOM 2328 CA GLN A 148 4.021 2.526 0.473 1.00 0.01 C ATOM 2329 C GLN A 148 2.822 3.373 0.036 1.00 0.01 C ATOM 2330 O GLN A 148 2.130 3.950 0.848 1.00 0.01 O ATOM 2331 CB GLN A 148 3.533 1.102 0.802 1.00 0.00 C ATOM 2332 CG GLN A 148 4.475 0.438 1.811 1.00 0.02 C ATOM 2333 CD GLN A 148 4.038 -1.012 2.028 1.00 0.02 C ATOM 2334 OE1 GLN A 148 3.225 -1.532 1.289 1.00 0.02 O ATOM 2335 NE2 GLN A 148 4.546 -1.693 3.021 1.00 0.01 N ATOM 0 H GLN A 148 4.041 3.046 2.540 1.00 0.01 H new ATOM 0 HA GLN A 148 4.756 2.512 -0.332 1.00 0.01 H new ATOM 0 HB2 GLN A 148 2.522 1.141 1.209 1.00 0.00 H new ATOM 0 HB3 GLN A 148 3.487 0.506 -0.110 1.00 0.00 H new ATOM 0 HG2 GLN A 148 5.501 0.470 1.445 1.00 0.02 H new ATOM 0 HG3 GLN A 148 4.457 0.981 2.756 1.00 0.02 H new ATOM 0 HE21 GLN A 148 5.228 -1.258 3.642 1.00 0.01 H new ATOM 0 HE22 GLN A 148 4.260 -2.660 3.175 1.00 0.01 H new ATOM 2344 N TYR A 149 2.562 3.425 -1.246 1.00 0.01 N ATOM 2345 CA TYR A 149 1.392 4.198 -1.773 1.00 0.01 C ATOM 2346 C TYR A 149 0.531 3.257 -2.617 1.00 0.01 C ATOM 2347 O TYR A 149 1.044 2.498 -3.416 1.00 0.01 O ATOM 2348 CB TYR A 149 1.882 5.375 -2.623 1.00 0.01 C ATOM 2349 CG TYR A 149 3.056 6.033 -1.940 1.00 0.01 C ATOM 2350 CD1 TYR A 149 2.840 7.013 -0.963 1.00 0.01 C ATOM 2351 CD2 TYR A 149 4.363 5.662 -2.282 1.00 0.01 C ATOM 2352 CE1 TYR A 149 3.929 7.621 -0.328 1.00 0.01 C ATOM 2353 CE2 TYR A 149 5.451 6.270 -1.646 1.00 0.01 C ATOM 2354 CZ TYR A 149 5.235 7.249 -0.669 1.00 0.01 C ATOM 2355 OH TYR A 149 6.310 7.849 -0.044 1.00 0.01 O ATOM 0 H TYR A 149 3.119 2.958 -1.962 1.00 0.01 H new ATOM 0 HA TYR A 149 0.803 4.596 -0.946 1.00 0.01 H new ATOM 0 HB2 TYR A 149 2.173 5.026 -3.614 1.00 0.01 H new ATOM 0 HB3 TYR A 149 1.077 6.097 -2.763 1.00 0.01 H new ATOM 0 HD1 TYR A 149 1.833 7.300 -0.700 1.00 0.01 H new ATOM 0 HD2 TYR A 149 4.531 4.907 -3.036 1.00 0.01 H new ATOM 0 HE1 TYR A 149 3.762 8.377 0.425 1.00 0.01 H new ATOM 0 HE2 TYR A 149 6.459 5.984 -1.909 1.00 0.01 H new ATOM 0 HH TYR A 149 5.985 8.508 0.605 1.00 0.01 H new ATOM 2365 N LEU A 150 -0.762 3.264 -2.432 1.00 0.01 N ATOM 2366 CA LEU A 150 -1.637 2.329 -3.210 1.00 0.01 C ATOM 2367 C LEU A 150 -2.200 3.047 -4.436 1.00 0.01 C ATOM 2368 O LEU A 150 -2.884 4.046 -4.330 1.00 0.01 O ATOM 2369 CB LEU A 150 -2.781 1.875 -2.293 1.00 0.01 C ATOM 2370 CG LEU A 150 -3.638 0.792 -2.991 1.00 0.01 C ATOM 2371 CD1 LEU A 150 -3.014 -0.592 -2.779 1.00 0.01 C ATOM 2372 CD2 LEU A 150 -5.055 0.794 -2.405 1.00 0.01 C ATOM 0 H LEU A 150 -1.253 3.874 -1.778 1.00 0.01 H new ATOM 0 HA LEU A 150 -1.064 1.466 -3.550 1.00 0.01 H new ATOM 0 HB2 LEU A 150 -2.374 1.481 -1.362 1.00 0.01 H new ATOM 0 HB3 LEU A 150 -3.406 2.729 -2.031 1.00 0.01 H new ATOM 0 HG LEU A 150 -3.678 1.013 -4.058 1.00 0.01 H new ATOM 0 HD11 LEU A 150 -3.625 -1.346 -3.274 1.00 0.01 H new ATOM 0 HD12 LEU A 150 -2.009 -0.606 -3.200 1.00 0.01 H new ATOM 0 HD13 LEU A 150 -2.964 -0.809 -1.712 1.00 0.01 H new ATOM 0 HD21 LEU A 150 -5.654 0.030 -2.900 1.00 0.01 H new ATOM 0 HD22 LEU A 150 -5.007 0.583 -1.337 1.00 0.01 H new ATOM 0 HD23 LEU A 150 -5.512 1.771 -2.561 1.00 0.01 H new ATOM 2384 N LEU A 151 -1.930 2.524 -5.607 1.00 0.01 N ATOM 2385 CA LEU A 151 -2.456 3.142 -6.859 1.00 0.01 C ATOM 2386 C LEU A 151 -3.715 2.380 -7.293 1.00 0.01 C ATOM 2387 O LEU A 151 -3.798 1.169 -7.162 1.00 0.01 O ATOM 2388 CB LEU A 151 -1.389 3.052 -7.959 1.00 0.01 C ATOM 2389 CG LEU A 151 -0.360 4.175 -7.781 1.00 0.01 C ATOM 2390 CD1 LEU A 151 0.392 3.982 -6.462 1.00 0.01 C ATOM 2391 CD2 LEU A 151 0.634 4.138 -8.944 1.00 0.01 C ATOM 0 H LEU A 151 -1.363 1.688 -5.748 1.00 0.01 H new ATOM 0 HA LEU A 151 -2.701 4.190 -6.686 1.00 0.01 H new ATOM 0 HB2 LEU A 151 -0.893 2.082 -7.918 1.00 0.01 H new ATOM 0 HB3 LEU A 151 -1.858 3.129 -8.940 1.00 0.01 H new ATOM 0 HG LEU A 151 -0.872 5.137 -7.765 1.00 0.01 H new ATOM 0 HD11 LEU A 151 1.122 4.782 -6.339 1.00 0.01 H new ATOM 0 HD12 LEU A 151 -0.315 4.006 -5.633 1.00 0.01 H new ATOM 0 HD13 LEU A 151 0.905 3.021 -6.473 1.00 0.01 H new ATOM 0 HD21 LEU A 151 1.367 4.935 -8.821 1.00 0.01 H new ATOM 0 HD22 LEU A 151 1.144 3.175 -8.957 1.00 0.01 H new ATOM 0 HD23 LEU A 151 0.100 4.278 -9.884 1.00 0.01 H new ATOM 2403 N ASP A 152 -4.698 3.082 -7.805 1.00 0.01 N ATOM 2404 CA ASP A 152 -5.966 2.421 -8.252 1.00 0.01 C ATOM 2405 C ASP A 152 -6.063 2.468 -9.778 1.00 0.00 C ATOM 2406 O ASP A 152 -5.137 2.866 -10.457 1.00 0.01 O ATOM 2407 CB ASP A 152 -7.160 3.165 -7.647 1.00 1.04 C ATOM 2408 CG ASP A 152 -7.172 2.965 -6.130 1.00 1.54 C ATOM 2409 OD1 ASP A 152 -6.560 2.014 -5.673 1.00 1.57 O ATOM 2410 OD2 ASP A 152 -7.790 3.769 -5.451 1.00 2.27 O ATOM 0 H ASP A 152 -4.676 4.094 -7.933 1.00 0.01 H new ATOM 0 HA ASP A 152 -5.970 1.382 -7.922 1.00 0.01 H new ATOM 0 HB2 ASP A 152 -7.098 4.227 -7.884 1.00 1.04 H new ATOM 0 HB3 ASP A 152 -8.089 2.796 -8.080 1.00 1.04 H new ATOM 2415 N LYS A 153 -7.182 2.066 -10.321 1.00 0.01 N ATOM 2416 CA LYS A 153 -7.345 2.087 -11.804 1.00 0.01 C ATOM 2417 C LYS A 153 -7.473 3.531 -12.286 1.00 0.01 C ATOM 2418 O LYS A 153 -8.227 3.825 -13.192 1.00 0.01 O ATOM 2419 CB LYS A 153 -8.612 1.318 -12.193 1.00 0.38 C ATOM 2420 CG LYS A 153 -9.807 1.862 -11.407 1.00 0.71 C ATOM 2421 CD LYS A 153 -11.075 1.112 -11.822 1.00 0.72 C ATOM 2422 CE LYS A 153 -12.309 1.872 -11.329 1.00 1.09 C ATOM 2423 NZ LYS A 153 -13.504 0.989 -11.422 1.00 1.84 N ATOM 0 H LYS A 153 -7.990 1.724 -9.801 1.00 0.01 H new ATOM 0 HA LYS A 153 -6.474 1.621 -12.265 1.00 0.01 H new ATOM 0 HB2 LYS A 153 -8.794 1.415 -13.263 1.00 0.38 H new ATOM 0 HB3 LYS A 153 -8.482 0.256 -11.987 1.00 0.38 H new ATOM 0 HG2 LYS A 153 -9.636 1.744 -10.337 1.00 0.71 H new ATOM 0 HG3 LYS A 153 -9.925 2.929 -11.596 1.00 0.71 H new ATOM 0 HD2 LYS A 153 -11.109 1.008 -12.907 1.00 0.72 H new ATOM 0 HD3 LYS A 153 -11.066 0.105 -11.406 1.00 0.72 H new ATOM 0 HE2 LYS A 153 -12.162 2.196 -10.299 1.00 1.09 H new ATOM 0 HE3 LYS A 153 -12.460 2.770 -11.928 1.00 1.09 H new ATOM 0 HZ1 LYS A 153 -14.343 1.504 -11.087 1.00 1.84 H new ATOM 0 HZ2 LYS A 153 -13.646 0.701 -12.411 1.00 1.84 H new ATOM 0 HZ3 LYS A 153 -13.358 0.145 -10.833 1.00 1.84 H new ATOM 2437 N LYS A 154 -6.743 4.437 -11.684 1.00 0.00 N ATOM 2438 CA LYS A 154 -6.815 5.876 -12.094 1.00 0.01 C ATOM 2439 C LYS A 154 -5.489 6.286 -12.733 1.00 0.01 C ATOM 2440 O LYS A 154 -4.506 5.577 -12.660 1.00 0.00 O ATOM 2441 CB LYS A 154 -7.059 6.747 -10.855 1.00 0.39 C ATOM 2442 CG LYS A 154 -8.333 6.291 -10.128 1.00 0.48 C ATOM 2443 CD LYS A 154 -9.576 6.832 -10.845 1.00 0.97 C ATOM 2444 CE LYS A 154 -10.809 6.589 -9.974 1.00 1.44 C ATOM 2445 NZ LYS A 154 -10.664 7.332 -8.689 1.00 2.28 N ATOM 0 H LYS A 154 -6.095 4.241 -10.921 1.00 0.00 H new ATOM 0 HA LYS A 154 -7.629 6.010 -12.807 1.00 0.01 H new ATOM 0 HB2 LYS A 154 -6.204 6.682 -10.182 1.00 0.39 H new ATOM 0 HB3 LYS A 154 -7.154 7.792 -11.149 1.00 0.39 H new ATOM 0 HG2 LYS A 154 -8.370 5.202 -10.093 1.00 0.48 H new ATOM 0 HG3 LYS A 154 -8.317 6.643 -9.097 1.00 0.48 H new ATOM 0 HD2 LYS A 154 -9.461 7.898 -11.043 1.00 0.97 H new ATOM 0 HD3 LYS A 154 -9.696 6.340 -11.810 1.00 0.97 H new ATOM 0 HE2 LYS A 154 -11.707 6.917 -10.497 1.00 1.44 H new ATOM 0 HE3 LYS A 154 -10.925 5.523 -9.779 1.00 1.44 H new ATOM 0 HZ1 LYS A 154 -11.533 7.872 -8.500 1.00 2.28 H new ATOM 0 HZ2 LYS A 154 -10.500 6.657 -7.915 1.00 2.28 H new ATOM 0 HZ3 LYS A 154 -9.858 7.985 -8.755 1.00 2.28 H new ATOM 2459 N GLU A 155 -5.455 7.438 -13.350 1.00 0.01 N ATOM 2460 CA GLU A 155 -4.197 7.930 -13.993 1.00 0.01 C ATOM 2461 C GLU A 155 -3.602 9.019 -13.098 1.00 0.01 C ATOM 2462 O GLU A 155 -4.280 9.955 -12.724 1.00 0.01 O ATOM 2463 CB GLU A 155 -4.535 8.505 -15.378 1.00 0.01 C ATOM 2464 CG GLU A 155 -5.687 7.705 -15.994 1.00 0.01 C ATOM 2465 CD GLU A 155 -5.885 8.133 -17.449 1.00 0.01 C ATOM 2466 OE1 GLU A 155 -5.842 9.325 -17.706 1.00 0.01 O ATOM 2467 OE2 GLU A 155 -6.075 7.262 -18.282 1.00 0.01 O ATOM 0 H GLU A 155 -6.253 8.067 -13.438 1.00 0.01 H new ATOM 0 HA GLU A 155 -3.478 7.120 -14.115 1.00 0.01 H new ATOM 0 HB2 GLU A 155 -4.813 9.555 -15.290 1.00 0.01 H new ATOM 0 HB3 GLU A 155 -3.660 8.461 -16.026 1.00 0.01 H new ATOM 0 HG2 GLU A 155 -5.470 6.638 -15.944 1.00 0.01 H new ATOM 0 HG3 GLU A 155 -6.603 7.871 -15.427 1.00 0.01 H new ATOM 2474 N TYR A 156 -2.351 8.896 -12.728 1.00 0.00 N ATOM 2475 CA TYR A 156 -1.731 9.916 -11.829 1.00 0.01 C ATOM 2476 C TYR A 156 -0.899 10.903 -12.644 1.00 0.01 C ATOM 2477 O TYR A 156 0.102 10.545 -13.239 1.00 0.01 O ATOM 2478 CB TYR A 156 -0.853 9.194 -10.809 1.00 0.01 C ATOM 2479 CG TYR A 156 -1.716 8.247 -10.009 1.00 0.00 C ATOM 2480 CD1 TYR A 156 -2.109 7.021 -10.560 1.00 0.01 C ATOM 2481 CD2 TYR A 156 -2.138 8.601 -8.721 1.00 0.01 C ATOM 2482 CE1 TYR A 156 -2.922 6.151 -9.825 1.00 0.01 C ATOM 2483 CE2 TYR A 156 -2.949 7.729 -7.986 1.00 0.01 C ATOM 2484 CZ TYR A 156 -3.342 6.505 -8.537 1.00 0.01 C ATOM 2485 OH TYR A 156 -4.145 5.649 -7.813 1.00 0.01 O ATOM 0 H TYR A 156 -1.734 8.134 -13.010 1.00 0.00 H new ATOM 0 HA TYR A 156 -2.509 10.478 -11.313 1.00 0.01 H new ATOM 0 HB2 TYR A 156 -0.059 8.645 -11.316 1.00 0.01 H new ATOM 0 HB3 TYR A 156 -0.371 9.915 -10.149 1.00 0.01 H new ATOM 0 HD1 TYR A 156 -1.784 6.747 -11.553 1.00 0.01 H new ATOM 0 HD2 TYR A 156 -1.837 9.547 -8.295 1.00 0.01 H new ATOM 0 HE1 TYR A 156 -3.226 5.206 -10.251 1.00 0.01 H new ATOM 0 HE2 TYR A 156 -3.272 8.002 -6.992 1.00 0.01 H new ATOM 0 HH TYR A 156 -4.344 6.047 -6.940 1.00 0.01 H new ATOM 2495 N ARG A 157 -1.331 12.136 -12.708 1.00 0.01 N ATOM 2496 CA ARG A 157 -0.601 13.150 -13.520 1.00 0.01 C ATOM 2497 C ARG A 157 0.471 13.845 -12.685 1.00 0.00 C ATOM 2498 O ARG A 157 1.465 14.295 -13.218 1.00 0.01 O ATOM 2499 CB ARG A 157 -1.594 14.203 -14.021 1.00 0.01 C ATOM 2500 CG ARG A 157 -2.702 13.521 -14.826 1.00 0.01 C ATOM 2501 CD ARG A 157 -3.561 14.576 -15.532 1.00 0.00 C ATOM 2502 NE ARG A 157 -4.376 13.917 -16.593 1.00 0.01 N ATOM 2503 CZ ARG A 157 -5.393 14.544 -17.117 1.00 0.01 C ATOM 2504 NH1 ARG A 157 -5.701 15.744 -16.708 1.00 0.01 N ATOM 2505 NH2 ARG A 157 -6.102 13.972 -18.052 1.00 0.01 N ATOM 0 H ARG A 157 -2.162 12.484 -12.230 1.00 0.01 H new ATOM 0 HA ARG A 157 -0.123 12.643 -14.358 1.00 0.01 H new ATOM 0 HB2 ARG A 157 -2.023 14.743 -13.177 1.00 0.01 H new ATOM 0 HB3 ARG A 157 -1.079 14.937 -14.641 1.00 0.01 H new ATOM 0 HG2 ARG A 157 -2.265 12.844 -15.561 1.00 0.01 H new ATOM 0 HG3 ARG A 157 -3.324 12.916 -14.165 1.00 0.01 H new ATOM 0 HD2 ARG A 157 -4.212 15.072 -14.813 1.00 0.00 H new ATOM 0 HD3 ARG A 157 -2.925 15.345 -15.970 1.00 0.00 H new ATOM 0 HE ARG A 157 -4.138 12.977 -16.909 1.00 0.01 H new ATOM 0 HH11 ARG A 157 -5.147 16.192 -15.978 1.00 0.01 H new ATOM 0 HH12 ARG A 157 -6.496 16.234 -17.118 1.00 0.01 H new ATOM 0 HH21 ARG A 157 -5.861 13.034 -18.373 1.00 0.01 H new ATOM 0 HH22 ARG A 157 -6.897 14.463 -18.461 1.00 0.01 H new ATOM 2519 N LYS A 158 0.298 13.933 -11.386 1.00 0.01 N ATOM 2520 CA LYS A 158 1.328 14.592 -10.521 1.00 0.01 C ATOM 2521 C LYS A 158 1.749 13.592 -9.432 1.00 0.01 C ATOM 2522 O LYS A 158 0.969 12.745 -9.050 1.00 0.01 O ATOM 2523 CB LYS A 158 0.704 15.829 -9.867 1.00 0.58 C ATOM 2524 CG LYS A 158 0.644 16.973 -10.888 1.00 0.97 C ATOM 2525 CD LYS A 158 0.077 18.246 -10.230 1.00 1.44 C ATOM 2526 CE LYS A 158 1.204 19.044 -9.561 1.00 2.13 C ATOM 2527 NZ LYS A 158 2.140 19.549 -10.603 1.00 2.54 N ATOM 0 H LYS A 158 -0.516 13.575 -10.887 1.00 0.01 H new ATOM 0 HA LYS A 158 2.195 14.891 -11.110 1.00 0.01 H new ATOM 0 HB2 LYS A 158 -0.298 15.596 -9.506 1.00 0.58 H new ATOM 0 HB3 LYS A 158 1.292 16.131 -9.001 1.00 0.58 H new ATOM 0 HG2 LYS A 158 1.641 17.172 -11.281 1.00 0.97 H new ATOM 0 HG3 LYS A 158 0.020 16.683 -11.733 1.00 0.97 H new ATOM 0 HD2 LYS A 158 -0.419 18.862 -10.980 1.00 1.44 H new ATOM 0 HD3 LYS A 158 -0.677 17.977 -9.490 1.00 1.44 H new ATOM 0 HE2 LYS A 158 0.788 19.878 -8.996 1.00 2.13 H new ATOM 0 HE3 LYS A 158 1.739 18.413 -8.851 1.00 2.13 H new ATOM 0 HZ1 LYS A 158 2.552 20.452 -10.291 1.00 2.54 H new ATOM 0 HZ2 LYS A 158 2.900 18.855 -10.753 1.00 2.54 H new ATOM 0 HZ3 LYS A 158 1.623 19.694 -11.494 1.00 2.54 H new ATOM 2541 N PRO A 159 2.948 13.679 -8.905 1.00 0.01 N ATOM 2542 CA PRO A 159 3.362 12.732 -7.833 1.00 0.02 C ATOM 2543 C PRO A 159 2.451 12.861 -6.602 1.00 0.01 C ATOM 2544 O PRO A 159 2.096 11.877 -5.986 1.00 0.01 O ATOM 2545 CB PRO A 159 4.811 13.174 -7.540 1.00 0.41 C ATOM 2546 CG PRO A 159 5.066 14.504 -8.275 1.00 0.70 C ATOM 2547 CD PRO A 159 3.957 14.694 -9.321 1.00 0.28 C ATOM 0 HA PRO A 159 3.291 11.682 -8.116 1.00 0.02 H new ATOM 0 HB2 PRO A 159 4.961 13.297 -6.467 1.00 0.41 H new ATOM 0 HB3 PRO A 159 5.516 12.413 -7.875 1.00 0.41 H new ATOM 0 HG2 PRO A 159 5.069 15.334 -7.569 1.00 0.70 H new ATOM 0 HG3 PRO A 159 6.044 14.491 -8.756 1.00 0.70 H new ATOM 0 HD2 PRO A 159 3.549 15.704 -9.301 1.00 0.28 H new ATOM 0 HD3 PRO A 159 4.319 14.516 -10.334 1.00 0.28 H new ATOM 2555 N VAL A 160 2.077 14.045 -6.231 1.00 0.01 N ATOM 2556 CA VAL A 160 1.200 14.198 -5.035 1.00 0.02 C ATOM 2557 C VAL A 160 -0.131 13.475 -5.275 1.00 0.02 C ATOM 2558 O VAL A 160 -0.863 13.185 -4.348 1.00 0.02 O ATOM 2559 CB VAL A 160 0.940 15.685 -4.786 1.00 0.14 C ATOM 2560 CG1 VAL A 160 -0.018 15.845 -3.604 1.00 0.86 C ATOM 2561 CG2 VAL A 160 2.261 16.387 -4.465 1.00 0.74 C ATOM 0 H VAL A 160 2.336 14.914 -6.698 1.00 0.01 H new ATOM 0 HA VAL A 160 1.692 13.763 -4.165 1.00 0.02 H new ATOM 0 HB VAL A 160 0.497 16.129 -5.677 1.00 0.14 H new ATOM 0 HG11 VAL A 160 -0.203 16.904 -3.427 1.00 0.86 H new ATOM 0 HG12 VAL A 160 -0.960 15.345 -3.829 1.00 0.86 H new ATOM 0 HG13 VAL A 160 0.426 15.400 -2.713 1.00 0.86 H new ATOM 0 HG21 VAL A 160 2.076 17.446 -4.288 1.00 0.74 H new ATOM 0 HG22 VAL A 160 2.703 15.941 -3.574 1.00 0.74 H new ATOM 0 HG23 VAL A 160 2.947 16.274 -5.305 1.00 0.74 H new ATOM 2571 N ASP A 161 -0.463 13.195 -6.502 1.00 0.00 N ATOM 2572 CA ASP A 161 -1.762 12.515 -6.771 1.00 0.01 C ATOM 2573 C ASP A 161 -1.801 11.090 -6.187 1.00 0.01 C ATOM 2574 O ASP A 161 -2.870 10.542 -6.005 1.00 0.01 O ATOM 2575 CB ASP A 161 -1.992 12.440 -8.282 1.00 0.00 C ATOM 2576 CG ASP A 161 -3.402 11.912 -8.555 1.00 0.02 C ATOM 2577 OD1 ASP A 161 -4.344 12.529 -8.089 1.00 0.00 O ATOM 2578 OD2 ASP A 161 -3.515 10.900 -9.228 1.00 0.00 O ATOM 0 H ASP A 161 0.102 13.404 -7.325 1.00 0.00 H new ATOM 0 HA ASP A 161 -2.546 13.099 -6.289 1.00 0.01 H new ATOM 0 HB2 ASP A 161 -1.868 13.426 -8.729 1.00 0.00 H new ATOM 0 HB3 ASP A 161 -1.251 11.786 -8.742 1.00 0.00 H new ATOM 2583 N TRP A 162 -0.668 10.490 -5.856 1.00 0.01 N ATOM 2584 CA TRP A 162 -0.711 9.105 -5.247 1.00 0.01 C ATOM 2585 C TRP A 162 -0.523 9.188 -3.726 1.00 0.01 C ATOM 2586 O TRP A 162 -0.284 8.195 -3.067 1.00 0.01 O ATOM 2587 CB TRP A 162 0.317 8.141 -5.871 1.00 0.01 C ATOM 2588 CG TRP A 162 1.656 8.769 -6.066 1.00 0.02 C ATOM 2589 CD1 TRP A 162 2.356 9.450 -5.134 1.00 0.01 C ATOM 2590 CD2 TRP A 162 2.489 8.730 -7.258 1.00 0.01 C ATOM 2591 NE1 TRP A 162 3.562 9.849 -5.689 1.00 0.01 N ATOM 2592 CE2 TRP A 162 3.690 9.425 -6.997 1.00 0.01 C ATOM 2593 CE3 TRP A 162 2.314 8.166 -8.535 1.00 0.01 C ATOM 2594 CZ2 TRP A 162 4.685 9.557 -7.965 1.00 0.01 C ATOM 2595 CZ3 TRP A 162 3.312 8.296 -9.512 1.00 0.01 C ATOM 2596 CH2 TRP A 162 4.497 8.989 -9.227 1.00 0.01 C ATOM 0 H TRP A 162 0.264 10.887 -5.977 1.00 0.01 H new ATOM 0 HA TRP A 162 -1.695 8.692 -5.468 1.00 0.01 H new ATOM 0 HB2 TRP A 162 0.422 7.265 -5.231 1.00 0.01 H new ATOM 0 HB3 TRP A 162 -0.058 7.790 -6.832 1.00 0.01 H new ATOM 0 HD1 TRP A 162 2.031 9.651 -4.124 1.00 0.01 H new ATOM 0 HE1 TRP A 162 4.269 10.390 -5.192 1.00 0.01 H new ATOM 0 HE3 TRP A 162 1.405 7.629 -8.765 1.00 0.01 H new ATOM 0 HZ2 TRP A 162 5.594 10.095 -7.740 1.00 0.01 H new ATOM 0 HZ3 TRP A 162 3.167 7.860 -10.489 1.00 0.01 H new ATOM 0 HH2 TRP A 162 5.263 9.083 -9.982 1.00 0.01 H new ATOM 2607 N GLY A 163 -0.695 10.355 -3.156 1.00 0.02 N ATOM 2608 CA GLY A 163 -0.603 10.495 -1.668 1.00 0.01 C ATOM 2609 C GLY A 163 0.836 10.700 -1.176 1.00 0.01 C ATOM 2610 O GLY A 163 1.098 10.638 0.009 1.00 0.01 O ATOM 0 H GLY A 163 -0.896 11.220 -3.658 1.00 0.02 H new ATOM 0 HA2 GLY A 163 -1.215 11.339 -1.349 1.00 0.01 H new ATOM 0 HA3 GLY A 163 -1.019 9.604 -1.198 1.00 0.01 H new ATOM 2614 N ALA A 164 1.771 10.930 -2.057 1.00 0.01 N ATOM 2615 CA ALA A 164 3.190 11.121 -1.611 1.00 0.02 C ATOM 2616 C ALA A 164 3.526 12.612 -1.547 1.00 0.01 C ATOM 2617 O ALA A 164 3.140 13.391 -2.393 1.00 0.02 O ATOM 2618 CB ALA A 164 4.122 10.469 -2.633 1.00 0.01 C ATOM 0 H ALA A 164 1.620 10.995 -3.064 1.00 0.01 H new ATOM 0 HA ALA A 164 3.315 10.672 -0.626 1.00 0.02 H new ATOM 0 HB1 ALA A 164 5.157 10.602 -2.318 1.00 0.01 H new ATOM 0 HB2 ALA A 164 3.898 9.405 -2.703 1.00 0.01 H new ATOM 0 HB3 ALA A 164 3.976 10.935 -3.608 1.00 0.01 H new ATOM 2624 N ALA A 165 4.253 13.007 -0.537 1.00 0.02 N ATOM 2625 CA ALA A 165 4.635 14.442 -0.393 1.00 0.01 C ATOM 2626 C ALA A 165 5.888 14.717 -1.220 1.00 0.02 C ATOM 2627 O ALA A 165 6.306 15.849 -1.368 1.00 0.01 O ATOM 2628 CB ALA A 165 4.927 14.760 1.075 1.00 0.59 C ATOM 0 H ALA A 165 4.601 12.393 0.200 1.00 0.02 H new ATOM 0 HA ALA A 165 3.813 15.066 -0.742 1.00 0.01 H new ATOM 0 HB1 ALA A 165 5.205 15.809 1.172 1.00 0.59 H new ATOM 0 HB2 ALA A 165 4.038 14.564 1.674 1.00 0.59 H new ATOM 0 HB3 ALA A 165 5.747 14.134 1.427 1.00 0.59 H new ATOM 2634 N SER A 166 6.495 13.690 -1.764 1.00 0.01 N ATOM 2635 CA SER A 166 7.729 13.883 -2.589 1.00 0.01 C ATOM 2636 C SER A 166 7.664 12.963 -3.824 1.00 0.02 C ATOM 2637 O SER A 166 7.054 11.914 -3.771 1.00 0.01 O ATOM 2638 CB SER A 166 8.954 13.518 -1.748 1.00 0.72 C ATOM 2639 OG SER A 166 8.695 12.312 -1.041 1.00 0.87 O ATOM 0 H SER A 166 6.187 12.722 -1.672 1.00 0.01 H new ATOM 0 HA SER A 166 7.800 14.922 -2.912 1.00 0.01 H new ATOM 0 HB2 SER A 166 9.827 13.397 -2.389 1.00 0.72 H new ATOM 0 HB3 SER A 166 9.182 14.322 -1.048 1.00 0.72 H new ATOM 0 HG SER A 166 9.478 12.074 -0.502 1.00 0.87 H new ATOM 2645 N PRO A 167 8.291 13.328 -4.929 1.00 0.02 N ATOM 2646 CA PRO A 167 8.266 12.460 -6.143 1.00 0.01 C ATOM 2647 C PRO A 167 9.182 11.239 -5.992 1.00 0.01 C ATOM 2648 O PRO A 167 9.508 10.577 -6.956 1.00 0.01 O ATOM 2649 CB PRO A 167 8.817 13.408 -7.219 1.00 0.38 C ATOM 2650 CG PRO A 167 9.614 14.500 -6.494 1.00 0.35 C ATOM 2651 CD PRO A 167 9.053 14.610 -5.068 1.00 0.22 C ATOM 0 HA PRO A 167 7.279 12.051 -6.358 1.00 0.01 H new ATOM 0 HB2 PRO A 167 9.454 12.867 -7.919 1.00 0.38 H new ATOM 0 HB3 PRO A 167 8.005 13.845 -7.799 1.00 0.38 H new ATOM 0 HG2 PRO A 167 10.675 14.249 -6.471 1.00 0.35 H new ATOM 0 HG3 PRO A 167 9.523 15.452 -7.017 1.00 0.35 H new ATOM 0 HD2 PRO A 167 9.845 14.696 -4.324 1.00 0.22 H new ATOM 0 HD3 PRO A 167 8.409 15.481 -4.950 1.00 0.22 H new ATOM 2659 N ALA A 168 9.630 10.956 -4.800 1.00 0.01 N ATOM 2660 CA ALA A 168 10.555 9.803 -4.627 1.00 0.01 C ATOM 2661 C ALA A 168 9.783 8.486 -4.557 1.00 0.01 C ATOM 2662 O ALA A 168 8.972 8.249 -3.686 1.00 0.02 O ATOM 2663 CB ALA A 168 11.353 9.990 -3.335 1.00 0.18 C ATOM 0 H ALA A 168 9.399 11.467 -3.948 1.00 0.01 H new ATOM 0 HA ALA A 168 11.226 9.764 -5.485 1.00 0.01 H new ATOM 0 HB1 ALA A 168 12.033 9.148 -3.202 1.00 0.18 H new ATOM 0 HB2 ALA A 168 11.927 10.915 -3.393 1.00 0.18 H new ATOM 0 HB3 ALA A 168 10.668 10.040 -2.488 1.00 0.18 H new ATOM 2669 N ILE A 169 10.088 7.631 -5.497 1.00 0.01 N ATOM 2670 CA ILE A 169 9.462 6.281 -5.596 1.00 0.01 C ATOM 2671 C ILE A 169 10.513 5.374 -6.249 1.00 0.01 C ATOM 2672 O ILE A 169 11.004 5.668 -7.320 1.00 0.01 O ATOM 2673 CB ILE A 169 8.178 6.399 -6.464 1.00 1.81 C ATOM 2674 CG1 ILE A 169 6.930 6.603 -5.559 1.00 2.75 C ATOM 2675 CG2 ILE A 169 7.983 5.149 -7.336 1.00 2.24 C ATOM 2676 CD1 ILE A 169 5.895 7.489 -6.263 1.00 3.99 C ATOM 0 H ILE A 169 10.773 7.823 -6.228 1.00 0.01 H new ATOM 0 HA ILE A 169 9.169 5.870 -4.630 1.00 0.01 H new ATOM 0 HB ILE A 169 8.296 7.264 -7.117 1.00 1.81 H new ATOM 0 HG12 ILE A 169 6.487 5.637 -5.318 1.00 2.75 H new ATOM 0 HG13 ILE A 169 7.228 7.061 -4.616 1.00 2.75 H new ATOM 0 HG21 ILE A 169 7.077 5.259 -7.932 1.00 2.24 H new ATOM 0 HG22 ILE A 169 8.841 5.029 -7.998 1.00 2.24 H new ATOM 0 HG23 ILE A 169 7.892 4.270 -6.697 1.00 2.24 H new ATOM 0 HD11 ILE A 169 5.028 7.621 -5.615 1.00 3.99 H new ATOM 0 HD12 ILE A 169 6.337 8.461 -6.481 1.00 3.99 H new ATOM 0 HD13 ILE A 169 5.583 7.015 -7.194 1.00 3.99 H new ATOM 2688 N GLN A 170 10.902 4.304 -5.588 1.00 0.01 N ATOM 2689 CA GLN A 170 11.973 3.412 -6.146 1.00 0.01 C ATOM 2690 C GLN A 170 11.462 2.014 -6.523 1.00 0.02 C ATOM 2691 O GLN A 170 12.178 1.281 -7.175 1.00 0.01 O ATOM 2692 CB GLN A 170 13.089 3.278 -5.097 1.00 2.62 C ATOM 2693 CG GLN A 170 13.957 4.545 -5.092 1.00 3.39 C ATOM 2694 CD GLN A 170 13.069 5.788 -5.016 1.00 4.36 C ATOM 2695 OE1 GLN A 170 12.165 5.857 -4.208 1.00 4.83 O ATOM 2696 NE2 GLN A 170 13.286 6.781 -5.834 1.00 5.17 N ATOM 0 H GLN A 170 10.524 4.011 -4.687 1.00 0.01 H new ATOM 0 HA GLN A 170 12.337 3.871 -7.065 1.00 0.01 H new ATOM 0 HB2 GLN A 170 12.655 3.120 -4.110 1.00 2.62 H new ATOM 0 HB3 GLN A 170 13.705 2.406 -5.318 1.00 2.62 H new ATOM 0 HG2 GLN A 170 14.640 4.524 -4.243 1.00 3.39 H new ATOM 0 HG3 GLN A 170 14.569 4.580 -5.993 1.00 3.39 H new ATOM 0 HE21 GLN A 170 14.045 6.726 -6.514 1.00 5.17 H new ATOM 0 HE22 GLN A 170 12.697 7.613 -5.794 1.00 5.17 H new ATOM 2705 N SER A 171 10.273 1.589 -6.160 1.00 0.01 N ATOM 2706 CA SER A 171 9.865 0.205 -6.576 1.00 0.01 C ATOM 2707 C SER A 171 8.341 0.083 -6.604 1.00 0.01 C ATOM 2708 O SER A 171 7.629 0.830 -5.964 1.00 0.01 O ATOM 2709 CB SER A 171 10.432 -0.807 -5.587 1.00 0.01 C ATOM 2710 OG SER A 171 11.828 -0.595 -5.464 1.00 0.02 O ATOM 0 H SER A 171 9.590 2.115 -5.615 1.00 0.01 H new ATOM 0 HA SER A 171 10.254 0.009 -7.575 1.00 0.01 H new ATOM 0 HB2 SER A 171 9.947 -0.698 -4.617 1.00 0.01 H new ATOM 0 HB3 SER A 171 10.234 -1.822 -5.931 1.00 0.01 H new ATOM 0 HG SER A 171 12.293 -1.457 -5.488 1.00 0.02 H new ATOM 2716 N PHE A 172 7.830 -0.881 -7.328 1.00 0.01 N ATOM 2717 CA PHE A 172 6.348 -1.068 -7.373 1.00 0.01 C ATOM 2718 C PHE A 172 6.006 -2.531 -7.665 1.00 0.01 C ATOM 2719 O PHE A 172 6.785 -3.262 -8.246 1.00 0.01 O ATOM 2720 CB PHE A 172 5.721 -0.151 -8.434 1.00 1.06 C ATOM 2721 CG PHE A 172 6.252 -0.466 -9.815 1.00 0.75 C ATOM 2722 CD1 PHE A 172 5.779 -1.584 -10.515 1.00 0.75 C ATOM 2723 CD2 PHE A 172 7.201 0.377 -10.407 1.00 1.29 C ATOM 2724 CE1 PHE A 172 6.258 -1.858 -11.801 1.00 1.16 C ATOM 2725 CE2 PHE A 172 7.676 0.105 -11.694 1.00 2.02 C ATOM 2726 CZ PHE A 172 7.204 -1.014 -12.391 1.00 1.92 C ATOM 0 H PHE A 172 8.370 -1.542 -7.886 1.00 0.01 H new ATOM 0 HA PHE A 172 5.936 -0.801 -6.400 1.00 0.01 H new ATOM 0 HB2 PHE A 172 4.637 -0.267 -8.423 1.00 1.06 H new ATOM 0 HB3 PHE A 172 5.933 0.890 -8.189 1.00 1.06 H new ATOM 0 HD1 PHE A 172 5.045 -2.234 -10.062 1.00 0.75 H new ATOM 0 HD2 PHE A 172 7.567 1.239 -9.869 1.00 1.29 H new ATOM 0 HE1 PHE A 172 5.897 -2.722 -12.338 1.00 1.16 H new ATOM 0 HE2 PHE A 172 8.406 0.757 -12.150 1.00 2.02 H new ATOM 0 HZ PHE A 172 7.571 -1.225 -13.385 1.00 1.92 H new ATOM 2736 N ARG A 173 4.845 -2.969 -7.243 1.00 0.01 N ATOM 2737 CA ARG A 173 4.446 -4.393 -7.470 1.00 0.01 C ATOM 2738 C ARG A 173 2.947 -4.481 -7.745 1.00 0.01 C ATOM 2739 O ARG A 173 2.158 -3.703 -7.241 1.00 0.01 O ATOM 2740 CB ARG A 173 4.731 -5.212 -6.210 1.00 0.01 C ATOM 2741 CG ARG A 173 6.230 -5.286 -5.940 1.00 0.01 C ATOM 2742 CD ARG A 173 6.465 -6.212 -4.747 1.00 0.01 C ATOM 2743 NE ARG A 173 5.537 -5.838 -3.642 1.00 0.01 N ATOM 2744 CZ ARG A 173 5.341 -6.658 -2.648 1.00 0.01 C ATOM 2745 NH1 ARG A 173 5.947 -7.812 -2.627 1.00 0.01 N ATOM 2746 NH2 ARG A 173 4.535 -6.326 -1.677 1.00 0.01 N ATOM 0 H ARG A 173 4.156 -2.401 -6.751 1.00 0.01 H new ATOM 0 HA ARG A 173 5.011 -4.776 -8.320 1.00 0.01 H new ATOM 0 HB2 ARG A 173 4.225 -4.762 -5.356 1.00 0.01 H new ATOM 0 HB3 ARG A 173 4.328 -6.218 -6.326 1.00 0.01 H new ATOM 0 HG2 ARG A 173 6.755 -5.661 -6.819 1.00 0.01 H new ATOM 0 HG3 ARG A 173 6.626 -4.292 -5.732 1.00 0.01 H new ATOM 0 HD2 ARG A 173 6.301 -7.249 -5.039 1.00 0.01 H new ATOM 0 HD3 ARG A 173 7.499 -6.135 -4.411 1.00 0.01 H new ATOM 0 HE ARG A 173 5.055 -4.939 -3.664 1.00 0.01 H new ATOM 0 HH11 ARG A 173 6.574 -8.073 -3.388 1.00 0.01 H new ATOM 0 HH12 ARG A 173 5.794 -8.454 -1.849 1.00 0.01 H new ATOM 0 HH21 ARG A 173 4.058 -5.425 -1.696 1.00 0.01 H new ATOM 0 HH22 ARG A 173 4.382 -6.968 -0.899 1.00 0.01 H new ATOM 2760 N ARG A 174 2.548 -5.453 -8.520 1.00 0.01 N ATOM 2761 CA ARG A 174 1.100 -5.636 -8.814 1.00 0.01 C ATOM 2762 C ARG A 174 0.492 -6.505 -7.712 1.00 0.01 C ATOM 2763 O ARG A 174 1.106 -7.443 -7.244 1.00 0.01 O ATOM 2764 CB ARG A 174 0.922 -6.336 -10.166 1.00 0.01 C ATOM 2765 CG ARG A 174 1.602 -7.711 -10.136 1.00 0.01 C ATOM 2766 CD ARG A 174 1.831 -8.202 -11.568 1.00 0.01 C ATOM 2767 NE ARG A 174 2.541 -9.512 -11.535 1.00 0.01 N ATOM 2768 CZ ARG A 174 2.587 -10.256 -12.606 1.00 0.01 C ATOM 2769 NH1 ARG A 174 2.018 -9.850 -13.708 1.00 0.01 N ATOM 2770 NH2 ARG A 174 3.207 -11.405 -12.577 1.00 0.01 N ATOM 0 H ARG A 174 3.167 -6.131 -8.964 1.00 0.01 H new ATOM 0 HA ARG A 174 0.606 -4.665 -8.853 1.00 0.01 H new ATOM 0 HB2 ARG A 174 -0.139 -6.450 -10.389 1.00 0.01 H new ATOM 0 HB3 ARG A 174 1.351 -5.726 -10.961 1.00 0.01 H new ATOM 0 HG2 ARG A 174 2.553 -7.646 -9.607 1.00 0.01 H new ATOM 0 HG3 ARG A 174 0.982 -8.423 -9.592 1.00 0.01 H new ATOM 0 HD2 ARG A 174 0.877 -8.306 -12.085 1.00 0.01 H new ATOM 0 HD3 ARG A 174 2.418 -7.472 -12.125 1.00 0.01 H new ATOM 0 HE ARG A 174 2.991 -9.827 -10.675 1.00 0.01 H new ATOM 0 HH11 ARG A 174 1.537 -8.951 -13.732 1.00 0.01 H new ATOM 0 HH12 ARG A 174 2.054 -10.432 -14.545 1.00 0.01 H new ATOM 0 HH21 ARG A 174 3.655 -11.721 -11.717 1.00 0.01 H new ATOM 0 HH22 ARG A 174 3.243 -11.986 -13.414 1.00 0.01 H new ATOM 2784 N ILE A 175 -0.713 -6.211 -7.304 1.00 0.01 N ATOM 2785 CA ILE A 175 -1.355 -7.042 -6.236 1.00 0.01 C ATOM 2786 C ILE A 175 -2.202 -8.138 -6.885 1.00 0.00 C ATOM 2787 O ILE A 175 -3.008 -7.876 -7.755 1.00 0.01 O ATOM 2788 CB ILE A 175 -2.240 -6.174 -5.343 1.00 1.52 C ATOM 2789 CG1 ILE A 175 -1.452 -4.927 -4.909 1.00 2.51 C ATOM 2790 CG2 ILE A 175 -2.639 -6.984 -4.111 1.00 1.75 C ATOM 2791 CD1 ILE A 175 -2.298 -4.012 -3.997 1.00 3.04 C ATOM 0 H ILE A 175 -1.279 -5.440 -7.658 1.00 0.01 H new ATOM 0 HA ILE A 175 -0.574 -7.493 -5.623 1.00 0.01 H new ATOM 0 HB ILE A 175 -3.133 -5.865 -5.885 1.00 1.52 H new ATOM 0 HG12 ILE A 175 -0.548 -5.232 -4.382 1.00 2.51 H new ATOM 0 HG13 ILE A 175 -1.135 -4.371 -5.791 1.00 2.51 H new ATOM 0 HG21 ILE A 175 -3.271 -6.375 -3.465 1.00 1.75 H new ATOM 0 HG22 ILE A 175 -3.187 -7.873 -4.422 1.00 1.75 H new ATOM 0 HG23 ILE A 175 -1.743 -7.282 -3.566 1.00 1.75 H new ATOM 0 HD11 ILE A 175 -1.710 -3.141 -3.709 1.00 3.04 H new ATOM 0 HD12 ILE A 175 -3.189 -3.687 -4.534 1.00 3.04 H new ATOM 0 HD13 ILE A 175 -2.593 -4.562 -3.103 1.00 3.04 H new ATOM 2803 N VAL A 176 -2.020 -9.369 -6.472 1.00 0.01 N ATOM 2804 CA VAL A 176 -2.807 -10.498 -7.065 1.00 0.00 C ATOM 2805 C VAL A 176 -3.249 -11.458 -5.958 1.00 0.01 C ATOM 2806 O VAL A 176 -2.575 -11.630 -4.963 1.00 0.00 O ATOM 2807 CB VAL A 176 -1.934 -11.266 -8.058 1.00 1.38 C ATOM 2808 CG1 VAL A 176 -1.758 -10.435 -9.329 1.00 1.88 C ATOM 2809 CG2 VAL A 176 -0.564 -11.531 -7.429 1.00 1.89 C ATOM 0 H VAL A 176 -1.357 -9.642 -5.746 1.00 0.01 H new ATOM 0 HA VAL A 176 -3.681 -10.091 -7.573 1.00 0.00 H new ATOM 0 HB VAL A 176 -2.411 -12.214 -8.307 1.00 1.38 H new ATOM 0 HG11 VAL A 176 -1.136 -10.981 -10.038 1.00 1.88 H new ATOM 0 HG12 VAL A 176 -2.733 -10.242 -9.776 1.00 1.88 H new ATOM 0 HG13 VAL A 176 -1.279 -9.488 -9.081 1.00 1.88 H new ATOM 0 HG21 VAL A 176 0.061 -12.079 -8.135 1.00 1.89 H new ATOM 0 HG22 VAL A 176 -0.087 -10.582 -7.183 1.00 1.89 H new ATOM 0 HG23 VAL A 176 -0.689 -12.121 -6.521 1.00 1.89 H new ATOM 2819 N GLU A 177 -4.376 -12.093 -6.134 1.00 0.01 N ATOM 2820 CA GLU A 177 -4.869 -13.054 -5.107 1.00 0.01 C ATOM 2821 C GLU A 177 -5.951 -13.948 -5.719 1.00 0.01 C ATOM 2822 O GLU A 177 -5.911 -15.157 -5.603 1.00 0.01 O ATOM 2823 CB GLU A 177 -5.449 -12.280 -3.916 1.00 2.15 C ATOM 2824 CG GLU A 177 -5.491 -13.184 -2.681 1.00 3.19 C ATOM 2825 CD GLU A 177 -6.192 -12.453 -1.534 1.00 4.20 C ATOM 2826 OE1 GLU A 177 -5.596 -11.539 -0.988 1.00 4.89 O ATOM 2827 OE2 GLU A 177 -7.314 -12.820 -1.221 1.00 4.77 O ATOM 0 H GLU A 177 -4.979 -11.987 -6.950 1.00 0.01 H new ATOM 0 HA GLU A 177 -4.041 -13.675 -4.764 1.00 0.01 H new ATOM 0 HB2 GLU A 177 -4.841 -11.399 -3.712 1.00 2.15 H new ATOM 0 HB3 GLU A 177 -6.452 -11.927 -4.154 1.00 2.15 H new ATOM 0 HG2 GLU A 177 -6.019 -14.109 -2.913 1.00 3.19 H new ATOM 0 HG3 GLU A 177 -4.479 -13.460 -2.385 1.00 3.19 H new