USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 671 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 NoAdj : A 97 ASNHD21 : A 97 ASN OD1 : A 149 CACA :(metal ligand) USER MOD NoAdj : A 97 ASNHD22 : A 97 ASN OD1 : A 149 CACA :(metal ligand) USER MOD Set 1.1: A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 60 HIS : no HE2:sc= -0.278 K(o=-0.16,f=-2.6) USER MOD Set 2.2: A 61 HIS : no HD1:sc= 0.116 K(o=-0.16,f=-1.7) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HE2:sc= 0.101 K(o=0.1,f=-0.78) USER MOD Single : A 59 HIS : no HE2:sc= -0.749 K(o=-0.75,f=-2.2!) USER MOD Single : A 62 HIS : no HD1:sc=-0.00199 X(o=-0.002,f=-0.002) USER MOD Single : A 63 HIS : no HD1:sc= -1.4! C(o=-1.4!,f=-5!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 140:sc= -0.0277 USER MOD Single : A 69 ASN : amide:sc= -0.398 K(o=-0.4,f=-2.1) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -4.05 K(o=-4,f=-5.4!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl 178:sc= 0 (180deg=-0.00907) USER MOD Single : A 77 LYS NZ :NH3+ 159:sc= -0.0722 (180deg=-0.532) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= -1.18 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= -0.606! USER MOD Single : A 107 HIS :FLIP no HD1:sc= -0.276 F(o=-1,f=-0.28) USER MOD Single : A 110 THR OG1 : rot 75:sc= 1 USER MOD Single : A 111 ASN :FLIP amide:sc= -1.39 F(o=-2.6!,f=-1.4) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot -151:sc= -0.492 USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 ASN : amide:sc= -0.313 K(o=-0.31,f=-3.8!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 144 MET CE :methyl 133:sc= -0.0921 (180deg=-0.78) USER MOD Single : A 145 MET CE :methyl 148:sc= -0.199 (180deg=-1.21) USER MOD Single : A 146 THR OG1 : rot 76:sc= 1.19 USER MOD Single : A 148 LYS NZ :NH3+ -161:sc= -0.0454 (180deg=-0.479) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 56 9.954 -5.316 30.690 1.00 0.00 N ATOM 2 CA GLY A 56 10.667 -6.042 29.602 1.00 0.00 C ATOM 3 C GLY A 56 11.530 -5.062 28.815 1.00 0.00 C ATOM 4 O GLY A 56 11.099 -4.520 27.798 1.00 0.00 O ATOM 0 HA2 GLY A 56 11.288 -6.832 30.024 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.947 -6.523 28.939 1.00 0.00 H new ATOM 8 N SER A 57 12.751 -4.840 29.293 1.00 0.00 N ATOM 9 CA SER A 57 13.667 -3.924 28.624 1.00 0.00 C ATOM 10 C SER A 57 14.147 -4.517 27.306 1.00 0.00 C ATOM 11 O SER A 57 14.391 -5.720 27.206 1.00 0.00 O ATOM 12 CB SER A 57 14.868 -3.636 29.526 1.00 0.00 C ATOM 13 OG SER A 57 15.781 -2.795 28.835 1.00 0.00 O ATOM 0 H SER A 57 13.126 -5.278 30.134 1.00 0.00 H new ATOM 0 HA SER A 57 13.137 -2.994 28.419 1.00 0.00 H new ATOM 0 HB2 SER A 57 14.539 -3.156 30.447 1.00 0.00 H new ATOM 0 HB3 SER A 57 15.357 -4.568 29.809 1.00 0.00 H new ATOM 0 HG SER A 57 16.552 -2.606 29.410 1.00 0.00 H new ATOM 19 N HIS A 58 14.282 -3.667 26.293 1.00 0.00 N ATOM 20 CA HIS A 58 14.735 -4.120 24.981 1.00 0.00 C ATOM 21 C HIS A 58 15.435 -2.988 24.235 1.00 0.00 C ATOM 22 O HIS A 58 15.110 -1.815 24.420 1.00 0.00 O ATOM 23 CB HIS A 58 13.540 -4.611 24.161 1.00 0.00 C ATOM 24 CG HIS A 58 12.534 -3.501 24.021 1.00 0.00 C ATOM 25 ND1 HIS A 58 11.484 -3.339 24.911 1.00 0.00 N ATOM 26 CD2 HIS A 58 12.407 -2.490 23.102 1.00 0.00 C ATOM 27 CE1 HIS A 58 10.776 -2.266 24.511 1.00 0.00 C ATOM 28 NE2 HIS A 58 11.296 -1.711 23.413 1.00 0.00 N ATOM 0 H HIS A 58 14.086 -2.668 26.353 1.00 0.00 H new ATOM 0 HA HIS A 58 15.442 -4.938 25.122 1.00 0.00 H new ATOM 0 HB2 HIS A 58 13.872 -4.941 23.177 1.00 0.00 H new ATOM 0 HB3 HIS A 58 13.081 -5.472 24.647 1.00 0.00 H new ATOM 0 HD1 HIS A 58 11.284 -3.926 25.721 1.00 0.00 H new ATOM 0 HD2 HIS A 58 13.068 -2.324 22.265 1.00 0.00 H new ATOM 0 HE1 HIS A 58 9.895 -1.899 25.016 1.00 0.00 H new ATOM 36 N HIS A 59 16.393 -3.349 23.389 1.00 0.00 N ATOM 37 CA HIS A 59 17.131 -2.356 22.618 1.00 0.00 C ATOM 38 C HIS A 59 16.284 -1.844 21.460 1.00 0.00 C ATOM 39 O HIS A 59 15.327 -2.496 21.040 1.00 0.00 O ATOM 40 CB HIS A 59 18.423 -2.969 22.075 1.00 0.00 C ATOM 41 CG HIS A 59 19.223 -1.910 21.368 1.00 0.00 C ATOM 42 ND1 HIS A 59 19.898 -0.914 22.056 1.00 0.00 N ATOM 43 CD2 HIS A 59 19.466 -1.678 20.037 1.00 0.00 C ATOM 44 CE1 HIS A 59 20.509 -0.135 21.144 1.00 0.00 C ATOM 45 NE2 HIS A 59 20.278 -0.556 19.897 1.00 0.00 N ATOM 0 H HIS A 59 16.675 -4.315 23.220 1.00 0.00 H new ATOM 0 HA HIS A 59 17.375 -1.521 23.275 1.00 0.00 H new ATOM 0 HB2 HIS A 59 19.006 -3.396 22.891 1.00 0.00 H new ATOM 0 HB3 HIS A 59 18.191 -3.783 21.389 1.00 0.00 H new ATOM 0 HD1 HIS A 59 19.927 -0.793 23.068 1.00 0.00 H new ATOM 0 HD2 HIS A 59 19.085 -2.275 19.222 1.00 0.00 H new ATOM 0 HE1 HIS A 59 21.113 0.726 21.390 1.00 0.00 H new ATOM 53 N HIS A 60 16.641 -0.671 20.943 1.00 0.00 N ATOM 54 CA HIS A 60 15.903 -0.082 19.828 1.00 0.00 C ATOM 55 C HIS A 60 16.826 0.786 18.977 1.00 0.00 C ATOM 56 O HIS A 60 17.847 1.281 19.456 1.00 0.00 O ATOM 57 CB HIS A 60 14.749 0.769 20.359 1.00 0.00 C ATOM 58 CG HIS A 60 15.294 1.885 21.207 1.00 0.00 C ATOM 59 ND1 HIS A 60 15.784 3.059 20.657 1.00 0.00 N ATOM 60 CD2 HIS A 60 15.432 2.021 22.566 1.00 0.00 C ATOM 61 CE1 HIS A 60 16.192 3.843 21.672 1.00 0.00 C ATOM 62 NE2 HIS A 60 16.000 3.258 22.857 1.00 0.00 N ATOM 0 H HIS A 60 17.429 -0.114 21.274 1.00 0.00 H new ATOM 0 HA HIS A 60 15.507 -0.888 19.211 1.00 0.00 H new ATOM 0 HB2 HIS A 60 14.173 1.178 19.529 1.00 0.00 H new ATOM 0 HB3 HIS A 60 14.069 0.152 20.946 1.00 0.00 H new ATOM 0 HD1 HIS A 60 15.827 3.287 19.664 1.00 0.00 H new ATOM 0 HD2 HIS A 60 15.144 1.281 23.298 1.00 0.00 H new ATOM 0 HE1 HIS A 60 16.622 4.825 21.544 1.00 0.00 H new ATOM 70 N HIS A 61 16.460 0.965 17.713 1.00 0.00 N ATOM 71 CA HIS A 61 17.263 1.774 16.802 1.00 0.00 C ATOM 72 C HIS A 61 18.738 1.400 16.913 1.00 0.00 C ATOM 73 O HIS A 61 19.510 2.076 17.593 1.00 0.00 O ATOM 74 CB HIS A 61 17.085 3.258 17.127 1.00 0.00 C ATOM 75 CG HIS A 61 15.676 3.675 16.809 1.00 0.00 C ATOM 76 ND1 HIS A 61 14.614 3.402 17.659 1.00 0.00 N ATOM 77 CD2 HIS A 61 15.136 4.347 15.740 1.00 0.00 C ATOM 78 CE1 HIS A 61 13.502 3.902 17.092 1.00 0.00 C ATOM 79 NE2 HIS A 61 13.764 4.489 15.920 1.00 0.00 N ATOM 0 H HIS A 61 15.619 0.565 17.297 1.00 0.00 H new ATOM 0 HA HIS A 61 16.927 1.583 15.783 1.00 0.00 H new ATOM 0 HB2 HIS A 61 17.300 3.439 18.180 1.00 0.00 H new ATOM 0 HB3 HIS A 61 17.791 3.855 16.550 1.00 0.00 H new ATOM 0 HD2 HIS A 61 15.692 4.710 14.889 1.00 0.00 H new ATOM 0 HE1 HIS A 61 12.517 3.837 17.530 1.00 0.00 H new ATOM 0 HE2 HIS A 61 13.100 4.943 15.293 1.00 0.00 H new ATOM 87 N HIS A 62 19.122 0.321 16.240 1.00 0.00 N ATOM 88 CA HIS A 62 20.506 -0.136 16.272 1.00 0.00 C ATOM 89 C HIS A 62 21.441 0.964 15.784 1.00 0.00 C ATOM 90 O HIS A 62 22.510 1.183 16.354 1.00 0.00 O ATOM 91 CB HIS A 62 20.669 -1.373 15.388 1.00 0.00 C ATOM 92 CG HIS A 62 19.877 -2.512 15.970 1.00 0.00 C ATOM 93 ND1 HIS A 62 20.377 -3.320 16.979 1.00 0.00 N ATOM 94 CD2 HIS A 62 18.621 -2.990 15.695 1.00 0.00 C ATOM 95 CE1 HIS A 62 19.434 -4.233 17.272 1.00 0.00 C ATOM 96 NE2 HIS A 62 18.342 -4.077 16.519 1.00 0.00 N ATOM 0 H HIS A 62 18.499 -0.250 15.669 1.00 0.00 H new ATOM 0 HA HIS A 62 20.762 -0.389 17.301 1.00 0.00 H new ATOM 0 HB2 HIS A 62 20.327 -1.158 14.376 1.00 0.00 H new ATOM 0 HB3 HIS A 62 21.722 -1.647 15.317 1.00 0.00 H new ATOM 0 HD2 HIS A 62 17.950 -2.585 14.952 1.00 0.00 H new ATOM 0 HE1 HIS A 62 19.546 -4.999 18.025 1.00 0.00 H new ATOM 0 HE2 HIS A 62 17.488 -4.634 16.543 1.00 0.00 H new ATOM 104 N HIS A 63 21.033 1.657 14.724 1.00 0.00 N ATOM 105 CA HIS A 63 21.843 2.736 14.168 1.00 0.00 C ATOM 106 C HIS A 63 20.958 3.769 13.476 1.00 0.00 C ATOM 107 O HIS A 63 19.785 3.512 13.205 1.00 0.00 O ATOM 108 CB HIS A 63 22.852 2.171 13.168 1.00 0.00 C ATOM 109 CG HIS A 63 22.116 1.473 12.056 1.00 0.00 C ATOM 110 ND1 HIS A 63 20.915 0.814 12.264 1.00 0.00 N ATOM 111 CD2 HIS A 63 22.401 1.323 10.721 1.00 0.00 C ATOM 112 CE1 HIS A 63 20.524 0.303 11.082 1.00 0.00 C ATOM 113 NE2 HIS A 63 21.394 0.583 10.108 1.00 0.00 N ATOM 0 H HIS A 63 20.153 1.492 14.236 1.00 0.00 H new ATOM 0 HA HIS A 63 22.377 3.222 14.985 1.00 0.00 H new ATOM 0 HB2 HIS A 63 23.468 2.974 12.763 1.00 0.00 H new ATOM 0 HB3 HIS A 63 23.525 1.474 13.668 1.00 0.00 H new ATOM 0 HD2 HIS A 63 23.274 1.719 10.223 1.00 0.00 H new ATOM 0 HE1 HIS A 63 19.617 -0.265 10.938 1.00 0.00 H new ATOM 0 HE2 HIS A 63 21.333 0.313 9.126 1.00 0.00 H new ATOM 121 N GLY A 64 21.530 4.935 13.191 1.00 0.00 N ATOM 122 CA GLY A 64 20.783 5.999 12.531 1.00 0.00 C ATOM 123 C GLY A 64 20.038 5.466 11.313 1.00 0.00 C ATOM 124 O GLY A 64 20.278 4.343 10.869 1.00 0.00 O ATOM 0 H GLY A 64 22.500 5.166 13.405 1.00 0.00 H new ATOM 0 HA2 GLY A 64 20.074 6.440 13.232 1.00 0.00 H new ATOM 0 HA3 GLY A 64 21.465 6.793 12.226 1.00 0.00 H new ATOM 128 N SER A 65 19.130 6.276 10.778 1.00 0.00 N ATOM 129 CA SER A 65 18.351 5.872 9.615 1.00 0.00 C ATOM 130 C SER A 65 19.264 5.601 8.426 1.00 0.00 C ATOM 131 O SER A 65 20.217 6.340 8.181 1.00 0.00 O ATOM 132 CB SER A 65 17.349 6.968 9.251 1.00 0.00 C ATOM 133 OG SER A 65 16.648 6.592 8.072 1.00 0.00 O ATOM 0 H SER A 65 18.917 7.210 11.129 1.00 0.00 H new ATOM 0 HA SER A 65 17.814 4.956 9.862 1.00 0.00 H new ATOM 0 HB2 SER A 65 16.648 7.122 10.071 1.00 0.00 H new ATOM 0 HB3 SER A 65 17.868 7.913 9.093 1.00 0.00 H new ATOM 0 HG SER A 65 16.004 7.292 7.837 1.00 0.00 H new ATOM 139 N SER A 66 18.967 4.534 7.689 1.00 0.00 N ATOM 140 CA SER A 66 19.769 4.173 6.526 1.00 0.00 C ATOM 141 C SER A 66 19.351 4.997 5.312 1.00 0.00 C ATOM 142 O SER A 66 19.548 6.212 5.276 1.00 0.00 O ATOM 143 CB SER A 66 19.603 2.685 6.218 1.00 0.00 C ATOM 144 OG SER A 66 18.221 2.391 6.057 1.00 0.00 O ATOM 0 H SER A 66 18.183 3.909 7.875 1.00 0.00 H new ATOM 0 HA SER A 66 20.815 4.381 6.750 1.00 0.00 H new ATOM 0 HB2 SER A 66 20.150 2.426 5.311 1.00 0.00 H new ATOM 0 HB3 SER A 66 20.023 2.085 7.026 1.00 0.00 H new ATOM 0 HG SER A 66 18.105 1.762 5.315 1.00 0.00 H new ATOM 150 N GLY A 67 18.775 4.330 4.317 1.00 0.00 N ATOM 151 CA GLY A 67 18.336 5.011 3.104 1.00 0.00 C ATOM 152 C GLY A 67 16.925 5.560 3.268 1.00 0.00 C ATOM 153 O GLY A 67 15.963 4.802 3.395 1.00 0.00 O ATOM 0 H GLY A 67 18.602 3.325 4.326 1.00 0.00 H new ATOM 0 HA2 GLY A 67 19.022 5.825 2.871 1.00 0.00 H new ATOM 0 HA3 GLY A 67 18.365 4.319 2.263 1.00 0.00 H new ATOM 157 N GLU A 68 16.808 6.884 3.266 1.00 0.00 N ATOM 158 CA GLU A 68 15.507 7.527 3.416 1.00 0.00 C ATOM 159 C GLU A 68 14.621 7.228 2.211 1.00 0.00 C ATOM 160 O GLU A 68 13.421 7.007 2.352 1.00 0.00 O ATOM 161 CB GLU A 68 15.687 9.039 3.557 1.00 0.00 C ATOM 162 CG GLU A 68 16.412 9.348 4.868 1.00 0.00 C ATOM 163 CD GLU A 68 16.706 10.842 4.961 1.00 0.00 C ATOM 164 OE1 GLU A 68 16.338 11.557 4.045 1.00 0.00 O ATOM 165 OE2 GLU A 68 17.298 11.247 5.948 1.00 0.00 O ATOM 0 H GLU A 68 17.592 7.529 3.163 1.00 0.00 H new ATOM 0 HA GLU A 68 15.027 7.133 4.312 1.00 0.00 H new ATOM 0 HB2 GLU A 68 16.257 9.428 2.714 1.00 0.00 H new ATOM 0 HB3 GLU A 68 14.716 9.534 3.541 1.00 0.00 H new ATOM 0 HG2 GLU A 68 15.800 9.036 5.714 1.00 0.00 H new ATOM 0 HG3 GLU A 68 17.342 8.782 4.921 1.00 0.00 H new ATOM 172 N ASN A 69 15.223 7.220 1.029 1.00 0.00 N ATOM 173 CA ASN A 69 14.482 6.944 -0.197 1.00 0.00 C ATOM 174 C ASN A 69 13.916 5.528 -0.175 1.00 0.00 C ATOM 175 O ASN A 69 12.811 5.282 -0.657 1.00 0.00 O ATOM 176 CB ASN A 69 15.393 7.116 -1.413 1.00 0.00 C ATOM 177 CG ASN A 69 14.631 6.770 -2.689 1.00 0.00 C ATOM 178 OD1 ASN A 69 13.402 6.815 -2.710 1.00 0.00 O ATOM 179 ND2 ASN A 69 15.294 6.426 -3.759 1.00 0.00 N ATOM 0 H ASN A 69 16.218 7.400 0.892 1.00 0.00 H new ATOM 0 HA ASN A 69 13.655 7.651 -0.264 1.00 0.00 H new ATOM 0 HB2 ASN A 69 15.756 8.143 -1.463 1.00 0.00 H new ATOM 0 HB3 ASN A 69 16.268 6.473 -1.316 1.00 0.00 H new ATOM 0 HD21 ASN A 69 14.793 6.193 -4.617 1.00 0.00 H new ATOM 0 HD22 ASN A 69 16.313 6.390 -3.738 1.00 0.00 H new ATOM 186 N LEU A 70 14.684 4.601 0.381 1.00 0.00 N ATOM 187 CA LEU A 70 14.256 3.209 0.456 1.00 0.00 C ATOM 188 C LEU A 70 12.987 3.085 1.291 1.00 0.00 C ATOM 189 O LEU A 70 12.123 2.257 1.003 1.00 0.00 O ATOM 190 CB LEU A 70 15.364 2.354 1.075 1.00 0.00 C ATOM 191 CG LEU A 70 16.681 2.611 0.340 1.00 0.00 C ATOM 192 CD1 LEU A 70 17.794 1.776 0.978 1.00 0.00 C ATOM 193 CD2 LEU A 70 16.531 2.221 -1.136 1.00 0.00 C ATOM 0 H LEU A 70 15.602 4.785 0.785 1.00 0.00 H new ATOM 0 HA LEU A 70 14.049 2.856 -0.554 1.00 0.00 H new ATOM 0 HB2 LEU A 70 15.474 2.593 2.133 1.00 0.00 H new ATOM 0 HB3 LEU A 70 15.101 1.298 1.012 1.00 0.00 H new ATOM 0 HG LEU A 70 16.934 3.669 0.411 1.00 0.00 H new ATOM 0 HD11 LEU A 70 18.732 1.959 0.454 1.00 0.00 H new ATOM 0 HD12 LEU A 70 17.903 2.055 2.026 1.00 0.00 H new ATOM 0 HD13 LEU A 70 17.540 0.718 0.909 1.00 0.00 H new ATOM 0 HD21 LEU A 70 17.470 2.405 -1.658 1.00 0.00 H new ATOM 0 HD22 LEU A 70 16.276 1.164 -1.209 1.00 0.00 H new ATOM 0 HD23 LEU A 70 15.740 2.817 -1.591 1.00 0.00 H new ATOM 205 N TYR A 71 12.886 3.907 2.328 1.00 0.00 N ATOM 206 CA TYR A 71 11.720 3.871 3.207 1.00 0.00 C ATOM 207 C TYR A 71 10.442 4.106 2.405 1.00 0.00 C ATOM 208 O TYR A 71 9.475 3.355 2.531 1.00 0.00 O ATOM 209 CB TYR A 71 11.848 4.949 4.286 1.00 0.00 C ATOM 210 CG TYR A 71 10.620 4.930 5.164 1.00 0.00 C ATOM 211 CD1 TYR A 71 10.545 4.037 6.239 1.00 0.00 C ATOM 212 CD2 TYR A 71 9.558 5.804 4.904 1.00 0.00 C ATOM 213 CE1 TYR A 71 9.407 4.017 7.055 1.00 0.00 C ATOM 214 CE2 TYR A 71 8.422 5.785 5.720 1.00 0.00 C ATOM 215 CZ TYR A 71 8.346 4.892 6.795 1.00 0.00 C ATOM 216 OH TYR A 71 7.224 4.873 7.599 1.00 0.00 O ATOM 0 H TYR A 71 13.589 4.601 2.581 1.00 0.00 H new ATOM 0 HA TYR A 71 11.670 2.889 3.677 1.00 0.00 H new ATOM 0 HB2 TYR A 71 12.740 4.773 4.887 1.00 0.00 H new ATOM 0 HB3 TYR A 71 11.963 5.930 3.824 1.00 0.00 H new ATOM 0 HD1 TYR A 71 11.365 3.363 6.439 1.00 0.00 H new ATOM 0 HD2 TYR A 71 9.616 6.493 4.074 1.00 0.00 H new ATOM 0 HE1 TYR A 71 9.348 3.327 7.884 1.00 0.00 H new ATOM 0 HE2 TYR A 71 7.603 6.460 5.520 1.00 0.00 H new ATOM 0 HH TYR A 71 6.583 5.543 7.282 1.00 0.00 H new ATOM 226 N PHE A 72 10.450 5.143 1.575 1.00 0.00 N ATOM 227 CA PHE A 72 9.289 5.454 0.747 1.00 0.00 C ATOM 228 C PHE A 72 9.051 4.354 -0.283 1.00 0.00 C ATOM 229 O PHE A 72 7.913 3.959 -0.531 1.00 0.00 O ATOM 230 CB PHE A 72 9.499 6.792 0.034 1.00 0.00 C ATOM 231 CG PHE A 72 9.340 7.922 1.023 1.00 0.00 C ATOM 232 CD1 PHE A 72 10.448 8.394 1.734 1.00 0.00 C ATOM 233 CD2 PHE A 72 8.080 8.496 1.227 1.00 0.00 C ATOM 234 CE1 PHE A 72 10.298 9.441 2.649 1.00 0.00 C ATOM 235 CE2 PHE A 72 7.929 9.543 2.144 1.00 0.00 C ATOM 236 CZ PHE A 72 9.038 10.016 2.855 1.00 0.00 C ATOM 0 H PHE A 72 11.240 5.778 1.457 1.00 0.00 H new ATOM 0 HA PHE A 72 8.414 5.522 1.393 1.00 0.00 H new ATOM 0 HB2 PHE A 72 10.492 6.825 -0.415 1.00 0.00 H new ATOM 0 HB3 PHE A 72 8.779 6.901 -0.777 1.00 0.00 H new ATOM 0 HD1 PHE A 72 11.420 7.950 1.576 1.00 0.00 H new ATOM 0 HD2 PHE A 72 7.225 8.131 0.677 1.00 0.00 H new ATOM 0 HE1 PHE A 72 11.154 9.806 3.197 1.00 0.00 H new ATOM 0 HE2 PHE A 72 6.957 9.986 2.303 1.00 0.00 H new ATOM 0 HZ PHE A 72 8.922 10.824 3.562 1.00 0.00 H new ATOM 246 N GLN A 73 10.134 3.868 -0.881 1.00 0.00 N ATOM 247 CA GLN A 73 10.032 2.816 -1.885 1.00 0.00 C ATOM 248 C GLN A 73 9.512 1.528 -1.256 1.00 0.00 C ATOM 249 O GLN A 73 8.773 0.773 -1.887 1.00 0.00 O ATOM 250 CB GLN A 73 11.401 2.563 -2.519 1.00 0.00 C ATOM 251 CG GLN A 73 11.249 1.614 -3.710 1.00 0.00 C ATOM 252 CD GLN A 73 10.493 2.310 -4.838 1.00 0.00 C ATOM 253 OE1 GLN A 73 9.517 1.771 -5.357 1.00 0.00 O ATOM 254 NE2 GLN A 73 10.888 3.485 -5.246 1.00 0.00 N ATOM 0 H GLN A 73 11.085 4.183 -0.690 1.00 0.00 H new ATOM 0 HA GLN A 73 9.332 3.140 -2.655 1.00 0.00 H new ATOM 0 HB2 GLN A 73 11.841 3.505 -2.846 1.00 0.00 H new ATOM 0 HB3 GLN A 73 12.080 2.133 -1.783 1.00 0.00 H new ATOM 0 HG2 GLN A 73 12.231 1.297 -4.061 1.00 0.00 H new ATOM 0 HG3 GLN A 73 10.715 0.715 -3.403 1.00 0.00 H new ATOM 0 HE21 GLN A 73 11.698 3.929 -4.813 1.00 0.00 H new ATOM 0 HE22 GLN A 73 10.387 3.959 -5.997 1.00 0.00 H new ATOM 263 N SER A 74 9.907 1.282 -0.012 1.00 0.00 N ATOM 264 CA SER A 74 9.476 0.079 0.690 1.00 0.00 C ATOM 265 C SER A 74 7.957 0.048 0.819 1.00 0.00 C ATOM 266 O SER A 74 7.329 -0.990 0.615 1.00 0.00 O ATOM 267 CB SER A 74 10.110 0.033 2.081 1.00 0.00 C ATOM 268 OG SER A 74 9.703 -1.158 2.744 1.00 0.00 O ATOM 0 H SER A 74 10.520 1.894 0.527 1.00 0.00 H new ATOM 0 HA SER A 74 9.797 -0.790 0.115 1.00 0.00 H new ATOM 0 HB2 SER A 74 11.196 0.064 1.999 1.00 0.00 H new ATOM 0 HB3 SER A 74 9.809 0.906 2.660 1.00 0.00 H new ATOM 0 HG SER A 74 10.109 -1.191 3.635 1.00 0.00 H new ATOM 274 N LEU A 75 7.376 1.190 1.161 1.00 0.00 N ATOM 275 CA LEU A 75 5.929 1.283 1.314 1.00 0.00 C ATOM 276 C LEU A 75 5.230 1.041 -0.017 1.00 0.00 C ATOM 277 O LEU A 75 4.210 0.354 -0.080 1.00 0.00 O ATOM 278 CB LEU A 75 5.553 2.667 1.848 1.00 0.00 C ATOM 279 CG LEU A 75 6.058 2.819 3.280 1.00 0.00 C ATOM 280 CD1 LEU A 75 5.981 4.290 3.700 1.00 0.00 C ATOM 281 CD2 LEU A 75 5.201 1.970 4.233 1.00 0.00 C ATOM 0 H LEU A 75 7.879 2.060 1.337 1.00 0.00 H new ATOM 0 HA LEU A 75 5.606 0.518 2.021 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.986 3.442 1.215 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.471 2.798 1.818 1.00 0.00 H new ATOM 0 HG LEU A 75 7.092 2.479 3.329 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.342 4.396 4.723 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.599 4.892 3.033 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.947 4.631 3.643 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.569 2.085 5.253 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.164 2.301 4.182 1.00 0.00 H new ATOM 0 HD23 LEU A 75 5.262 0.922 3.941 1.00 0.00 H new ATOM 293 N MET A 76 5.783 1.613 -1.081 1.00 0.00 N ATOM 294 CA MET A 76 5.203 1.457 -2.409 1.00 0.00 C ATOM 295 C MET A 76 5.608 0.124 -3.016 1.00 0.00 C ATOM 296 O MET A 76 5.055 -0.306 -4.030 1.00 0.00 O ATOM 297 CB MET A 76 5.664 2.598 -3.320 1.00 0.00 C ATOM 298 CG MET A 76 4.728 2.700 -4.527 1.00 0.00 C ATOM 299 SD MET A 76 5.292 4.029 -5.617 1.00 0.00 S ATOM 300 CE MET A 76 3.661 4.551 -6.204 1.00 0.00 C ATOM 0 H MET A 76 6.627 2.185 -1.050 1.00 0.00 H new ATOM 0 HA MET A 76 4.117 1.485 -2.315 1.00 0.00 H new ATOM 0 HB2 MET A 76 5.667 3.538 -2.769 1.00 0.00 H new ATOM 0 HB3 MET A 76 6.686 2.420 -3.654 1.00 0.00 H new ATOM 0 HG2 MET A 76 4.711 1.754 -5.068 1.00 0.00 H new ATOM 0 HG3 MET A 76 3.709 2.896 -4.195 1.00 0.00 H new ATOM 0 HE1 MET A 76 3.771 5.402 -6.876 1.00 0.00 H new ATOM 0 HE2 MET A 76 3.185 3.727 -6.736 1.00 0.00 H new ATOM 0 HE3 MET A 76 3.043 4.838 -5.353 1.00 0.00 H new ATOM 310 N LYS A 77 6.584 -0.532 -2.395 1.00 0.00 N ATOM 311 CA LYS A 77 7.065 -1.825 -2.888 1.00 0.00 C ATOM 312 C LYS A 77 7.086 -2.850 -1.760 1.00 0.00 C ATOM 313 O LYS A 77 7.899 -2.763 -0.841 1.00 0.00 O ATOM 314 CB LYS A 77 8.474 -1.669 -3.465 1.00 0.00 C ATOM 315 CG LYS A 77 8.918 -2.992 -4.092 1.00 0.00 C ATOM 316 CD LYS A 77 10.328 -2.839 -4.663 1.00 0.00 C ATOM 317 CE LYS A 77 10.769 -4.161 -5.296 1.00 0.00 C ATOM 318 NZ LYS A 77 9.878 -4.482 -6.447 1.00 0.00 N ATOM 0 H LYS A 77 7.056 -0.196 -1.556 1.00 0.00 H new ATOM 0 HA LYS A 77 6.389 -2.173 -3.669 1.00 0.00 H new ATOM 0 HB2 LYS A 77 8.486 -0.877 -4.214 1.00 0.00 H new ATOM 0 HB3 LYS A 77 9.170 -1.375 -2.679 1.00 0.00 H new ATOM 0 HG2 LYS A 77 8.901 -3.785 -3.344 1.00 0.00 H new ATOM 0 HG3 LYS A 77 8.225 -3.283 -4.881 1.00 0.00 H new ATOM 0 HD2 LYS A 77 10.346 -2.043 -5.408 1.00 0.00 H new ATOM 0 HD3 LYS A 77 11.022 -2.552 -3.873 1.00 0.00 H new ATOM 0 HE2 LYS A 77 11.803 -4.088 -5.632 1.00 0.00 H new ATOM 0 HE3 LYS A 77 10.729 -4.961 -4.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 10.359 -5.150 -7.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 8.998 -4.910 -6.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 9.655 -3.610 -6.967 1.00 0.00 H new ATOM 332 N ASP A 78 6.188 -3.826 -1.841 1.00 0.00 N ATOM 333 CA ASP A 78 6.117 -4.869 -0.825 1.00 0.00 C ATOM 334 C ASP A 78 5.166 -5.973 -1.263 1.00 0.00 C ATOM 335 O ASP A 78 3.971 -5.933 -0.963 1.00 0.00 O ATOM 336 CB ASP A 78 5.635 -4.275 0.498 1.00 0.00 C ATOM 337 CG ASP A 78 5.650 -5.343 1.585 1.00 0.00 C ATOM 338 OD1 ASP A 78 5.918 -6.488 1.260 1.00 0.00 O ATOM 339 OD2 ASP A 78 5.386 -5.003 2.727 1.00 0.00 O ATOM 0 H ASP A 78 5.505 -3.916 -2.593 1.00 0.00 H new ATOM 0 HA ASP A 78 7.113 -5.292 -0.692 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.275 -3.442 0.787 1.00 0.00 H new ATOM 0 HB3 ASP A 78 4.627 -3.877 0.382 1.00 0.00 H new ATOM 344 N THR A 79 5.697 -6.963 -1.975 1.00 0.00 N ATOM 345 CA THR A 79 4.878 -8.076 -2.451 1.00 0.00 C ATOM 346 C THR A 79 5.585 -9.401 -2.204 1.00 0.00 C ATOM 347 O THR A 79 6.814 -9.464 -2.145 1.00 0.00 O ATOM 348 CB THR A 79 4.609 -7.917 -3.950 1.00 0.00 C ATOM 349 OG1 THR A 79 5.809 -8.146 -4.676 1.00 0.00 O ATOM 350 CG2 THR A 79 4.105 -6.500 -4.233 1.00 0.00 C ATOM 0 H THR A 79 6.682 -7.019 -2.234 1.00 0.00 H new ATOM 0 HA THR A 79 3.934 -8.070 -1.905 1.00 0.00 H new ATOM 0 HB THR A 79 3.854 -8.640 -4.260 1.00 0.00 H new ATOM 0 HG1 THR A 79 5.635 -8.046 -5.635 1.00 0.00 H new ATOM 0 HG21 THR A 79 3.914 -6.388 -5.300 1.00 0.00 H new ATOM 0 HG22 THR A 79 3.183 -6.324 -3.679 1.00 0.00 H new ATOM 0 HG23 THR A 79 4.859 -5.777 -3.922 1.00 0.00 H new ATOM 358 N ASP A 80 4.802 -10.466 -2.064 1.00 0.00 N ATOM 359 CA ASP A 80 5.363 -11.796 -1.830 1.00 0.00 C ATOM 360 C ASP A 80 5.528 -12.542 -3.149 1.00 0.00 C ATOM 361 O ASP A 80 6.631 -12.954 -3.509 1.00 0.00 O ATOM 362 CB ASP A 80 4.448 -12.594 -0.902 1.00 0.00 C ATOM 363 CG ASP A 80 4.526 -12.034 0.513 1.00 0.00 C ATOM 364 OD1 ASP A 80 5.435 -11.261 0.773 1.00 0.00 O ATOM 365 OD2 ASP A 80 3.677 -12.383 1.315 1.00 0.00 O ATOM 0 H ASP A 80 3.783 -10.437 -2.108 1.00 0.00 H new ATOM 0 HA ASP A 80 6.341 -11.682 -1.362 1.00 0.00 H new ATOM 0 HB2 ASP A 80 3.421 -12.549 -1.264 1.00 0.00 H new ATOM 0 HB3 ASP A 80 4.741 -13.644 -0.903 1.00 0.00 H new ATOM 370 N SER A 81 4.423 -12.711 -3.873 1.00 0.00 N ATOM 371 CA SER A 81 4.458 -13.407 -5.157 1.00 0.00 C ATOM 372 C SER A 81 3.309 -12.945 -6.046 1.00 0.00 C ATOM 373 O SER A 81 2.279 -12.486 -5.560 1.00 0.00 O ATOM 374 CB SER A 81 4.367 -14.915 -4.933 1.00 0.00 C ATOM 375 OG SER A 81 3.281 -15.196 -4.065 1.00 0.00 O ATOM 0 H SER A 81 3.500 -12.378 -3.595 1.00 0.00 H new ATOM 0 HA SER A 81 5.399 -13.173 -5.654 1.00 0.00 H new ATOM 0 HB2 SER A 81 4.229 -15.428 -5.885 1.00 0.00 H new ATOM 0 HB3 SER A 81 5.297 -15.287 -4.503 1.00 0.00 H new ATOM 0 HG SER A 81 3.219 -16.163 -3.921 1.00 0.00 H new ATOM 381 N GLU A 82 3.489 -13.077 -7.352 1.00 0.00 N ATOM 382 CA GLU A 82 2.463 -12.651 -8.296 1.00 0.00 C ATOM 383 C GLU A 82 1.108 -13.228 -7.914 1.00 0.00 C ATOM 384 O GLU A 82 0.096 -12.527 -7.953 1.00 0.00 O ATOM 385 CB GLU A 82 2.829 -13.129 -9.708 1.00 0.00 C ATOM 386 CG GLU A 82 4.170 -12.511 -10.131 1.00 0.00 C ATOM 387 CD GLU A 82 5.327 -13.357 -9.601 1.00 0.00 C ATOM 388 OE1 GLU A 82 5.064 -14.295 -8.866 1.00 0.00 O ATOM 389 OE2 GLU A 82 6.455 -13.059 -9.944 1.00 0.00 O ATOM 0 H GLU A 82 4.326 -13.471 -7.780 1.00 0.00 H new ATOM 0 HA GLU A 82 2.406 -11.563 -8.272 1.00 0.00 H new ATOM 0 HB2 GLU A 82 2.896 -14.217 -9.728 1.00 0.00 H new ATOM 0 HB3 GLU A 82 2.048 -12.845 -10.413 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.224 -12.447 -11.218 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.248 -11.493 -9.748 1.00 0.00 H new ATOM 396 N GLU A 83 1.092 -14.499 -7.535 1.00 0.00 N ATOM 397 CA GLU A 83 -0.151 -15.152 -7.144 1.00 0.00 C ATOM 398 C GLU A 83 -0.753 -14.483 -5.914 1.00 0.00 C ATOM 399 O GLU A 83 -1.970 -14.332 -5.812 1.00 0.00 O ATOM 400 CB GLU A 83 0.112 -16.632 -6.851 1.00 0.00 C ATOM 401 CG GLU A 83 1.024 -16.756 -5.630 1.00 0.00 C ATOM 402 CD GLU A 83 1.464 -18.204 -5.450 1.00 0.00 C ATOM 403 OE1 GLU A 83 0.699 -19.084 -5.809 1.00 0.00 O ATOM 404 OE2 GLU A 83 2.564 -18.411 -4.965 1.00 0.00 O ATOM 0 H GLU A 83 1.919 -15.095 -7.490 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.860 -15.063 -7.967 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -0.829 -17.151 -6.669 1.00 0.00 H new ATOM 0 HB3 GLU A 83 0.576 -17.108 -7.715 1.00 0.00 H new ATOM 0 HG2 GLU A 83 1.897 -16.115 -5.752 1.00 0.00 H new ATOM 0 HG3 GLU A 83 0.499 -16.414 -4.738 1.00 0.00 H new ATOM 411 N GLU A 84 0.107 -14.083 -4.984 1.00 0.00 N ATOM 412 CA GLU A 84 -0.352 -13.427 -3.767 1.00 0.00 C ATOM 413 C GLU A 84 -0.991 -12.083 -4.091 1.00 0.00 C ATOM 414 O GLU A 84 -1.999 -11.707 -3.491 1.00 0.00 O ATOM 415 CB GLU A 84 0.826 -13.221 -2.808 1.00 0.00 C ATOM 416 CG GLU A 84 1.181 -14.548 -2.133 1.00 0.00 C ATOM 417 CD GLU A 84 0.081 -14.943 -1.153 1.00 0.00 C ATOM 418 OE1 GLU A 84 -0.649 -14.061 -0.727 1.00 0.00 O ATOM 419 OE2 GLU A 84 -0.030 -16.121 -0.860 1.00 0.00 O ATOM 0 H GLU A 84 1.118 -14.201 -5.049 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.098 -14.064 -3.292 1.00 0.00 H new ATOM 0 HB2 GLU A 84 1.688 -12.837 -3.353 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.568 -12.477 -2.055 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.306 -15.327 -2.885 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.132 -14.456 -1.608 1.00 0.00 H new ATOM 426 N ILE A 85 -0.399 -11.364 -5.036 1.00 0.00 N ATOM 427 CA ILE A 85 -0.925 -10.063 -5.428 1.00 0.00 C ATOM 428 C ILE A 85 -2.319 -10.206 -6.027 1.00 0.00 C ATOM 429 O ILE A 85 -3.234 -9.460 -5.676 1.00 0.00 O ATOM 430 CB ILE A 85 0.010 -9.407 -6.448 1.00 0.00 C ATOM 431 CG1 ILE A 85 1.408 -9.262 -5.838 1.00 0.00 C ATOM 432 CG2 ILE A 85 -0.527 -8.027 -6.825 1.00 0.00 C ATOM 433 CD1 ILE A 85 2.381 -8.757 -6.905 1.00 0.00 C ATOM 0 H ILE A 85 0.438 -11.656 -5.541 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.989 -9.435 -4.539 1.00 0.00 H new ATOM 0 HB ILE A 85 0.064 -10.029 -7.341 1.00 0.00 H new ATOM 0 HG12 ILE A 85 1.380 -8.567 -4.999 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.747 -10.221 -5.447 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.140 -7.563 -7.551 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.521 -8.130 -7.260 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -0.584 -7.403 -5.933 1.00 0.00 H new ATOM 0 HD11 ILE A 85 3.376 -8.654 -6.471 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.417 -9.468 -7.730 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.044 -7.789 -7.275 1.00 0.00 H new ATOM 445 N ARG A 86 -2.473 -11.162 -6.940 1.00 0.00 N ATOM 446 CA ARG A 86 -3.760 -11.382 -7.585 1.00 0.00 C ATOM 447 C ARG A 86 -4.805 -11.804 -6.557 1.00 0.00 C ATOM 448 O ARG A 86 -5.920 -11.282 -6.542 1.00 0.00 O ATOM 449 CB ARG A 86 -3.622 -12.474 -8.649 1.00 0.00 C ATOM 450 CG ARG A 86 -2.751 -11.962 -9.797 1.00 0.00 C ATOM 451 CD ARG A 86 -2.533 -13.082 -10.816 1.00 0.00 C ATOM 452 NE ARG A 86 -3.794 -13.424 -11.467 1.00 0.00 N ATOM 453 CZ ARG A 86 -4.222 -12.752 -12.532 1.00 0.00 C ATOM 454 NH1 ARG A 86 -3.566 -11.701 -12.944 1.00 0.00 N ATOM 455 NH2 ARG A 86 -5.294 -13.142 -13.163 1.00 0.00 N ATOM 0 H ARG A 86 -1.729 -11.790 -7.246 1.00 0.00 H new ATOM 0 HA ARG A 86 -4.080 -10.451 -8.053 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -3.177 -13.368 -8.212 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -4.606 -12.758 -9.023 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -3.230 -11.108 -10.277 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.792 -11.615 -9.412 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.804 -12.767 -11.562 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -2.122 -13.961 -10.319 1.00 0.00 H new ATOM 0 HE ARG A 86 -4.356 -14.191 -11.099 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -2.727 -11.397 -12.449 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -3.892 -11.184 -13.760 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -5.805 -13.963 -12.840 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -5.621 -12.626 -13.980 1.00 0.00 H new ATOM 469 N GLU A 87 -4.436 -12.748 -5.695 1.00 0.00 N ATOM 470 CA GLU A 87 -5.349 -13.226 -4.663 1.00 0.00 C ATOM 471 C GLU A 87 -5.605 -12.135 -3.628 1.00 0.00 C ATOM 472 O GLU A 87 -6.739 -11.932 -3.191 1.00 0.00 O ATOM 473 CB GLU A 87 -4.763 -14.458 -3.975 1.00 0.00 C ATOM 474 CG GLU A 87 -5.794 -15.043 -3.008 1.00 0.00 C ATOM 475 CD GLU A 87 -5.220 -16.275 -2.318 1.00 0.00 C ATOM 476 OE1 GLU A 87 -4.020 -16.475 -2.407 1.00 0.00 O ATOM 477 OE2 GLU A 87 -5.990 -17.002 -1.711 1.00 0.00 O ATOM 0 H GLU A 87 -3.518 -13.194 -5.691 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.294 -13.492 -5.136 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -4.483 -15.204 -4.719 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -3.855 -14.189 -3.436 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.073 -14.296 -2.265 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.702 -15.309 -3.549 1.00 0.00 H new ATOM 484 N ALA A 88 -4.545 -11.436 -3.237 1.00 0.00 N ATOM 485 CA ALA A 88 -4.667 -10.378 -2.242 1.00 0.00 C ATOM 486 C ALA A 88 -5.697 -9.347 -2.686 1.00 0.00 C ATOM 487 O ALA A 88 -6.497 -8.872 -1.883 1.00 0.00 O ATOM 488 CB ALA A 88 -3.312 -9.687 -2.051 1.00 0.00 C ATOM 0 H ALA A 88 -3.599 -11.581 -3.591 1.00 0.00 H new ATOM 0 HA ALA A 88 -4.990 -10.823 -1.301 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -3.408 -8.897 -1.306 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -2.576 -10.416 -1.713 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -2.987 -9.256 -2.998 1.00 0.00 H new ATOM 494 N PHE A 89 -5.679 -9.011 -3.970 1.00 0.00 N ATOM 495 CA PHE A 89 -6.623 -8.035 -4.503 1.00 0.00 C ATOM 496 C PHE A 89 -8.059 -8.491 -4.264 1.00 0.00 C ATOM 497 O PHE A 89 -8.903 -7.706 -3.826 1.00 0.00 O ATOM 498 CB PHE A 89 -6.389 -7.854 -6.006 1.00 0.00 C ATOM 499 CG PHE A 89 -7.251 -6.724 -6.518 1.00 0.00 C ATOM 500 CD1 PHE A 89 -6.788 -5.405 -6.451 1.00 0.00 C ATOM 501 CD2 PHE A 89 -8.513 -6.997 -7.060 1.00 0.00 C ATOM 502 CE1 PHE A 89 -7.587 -4.358 -6.925 1.00 0.00 C ATOM 503 CE2 PHE A 89 -9.312 -5.949 -7.533 1.00 0.00 C ATOM 504 CZ PHE A 89 -8.849 -4.630 -7.467 1.00 0.00 C ATOM 0 H PHE A 89 -5.029 -9.395 -4.656 1.00 0.00 H new ATOM 0 HA PHE A 89 -6.465 -7.086 -3.990 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.338 -7.639 -6.198 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.628 -8.776 -6.536 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.814 -5.195 -6.034 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -8.870 -8.015 -7.113 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -7.230 -3.340 -6.873 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -10.286 -6.159 -7.949 1.00 0.00 H new ATOM 0 HZ PHE A 89 -9.465 -3.822 -7.834 1.00 0.00 H new ATOM 514 N ARG A 90 -8.331 -9.759 -4.556 1.00 0.00 N ATOM 515 CA ARG A 90 -9.672 -10.304 -4.368 1.00 0.00 C ATOM 516 C ARG A 90 -10.035 -10.343 -2.886 1.00 0.00 C ATOM 517 O ARG A 90 -11.114 -9.905 -2.489 1.00 0.00 O ATOM 518 CB ARG A 90 -9.745 -11.715 -4.948 1.00 0.00 C ATOM 519 CG ARG A 90 -9.685 -11.644 -6.475 1.00 0.00 C ATOM 520 CD ARG A 90 -9.657 -13.060 -7.051 1.00 0.00 C ATOM 521 NE ARG A 90 -10.896 -13.759 -6.730 1.00 0.00 N ATOM 522 CZ ARG A 90 -11.040 -15.054 -6.987 1.00 0.00 C ATOM 523 NH1 ARG A 90 -10.023 -15.863 -6.859 1.00 0.00 N ATOM 524 NH2 ARG A 90 -12.199 -15.519 -7.368 1.00 0.00 N ATOM 0 H ARG A 90 -7.648 -10.423 -4.920 1.00 0.00 H new ATOM 0 HA ARG A 90 -10.381 -9.659 -4.886 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -8.920 -12.318 -4.569 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -10.668 -12.202 -4.632 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -10.549 -11.101 -6.859 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -8.798 -11.094 -6.789 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -9.524 -13.018 -8.132 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -8.806 -13.608 -6.646 1.00 0.00 H new ATOM 0 HE ARG A 90 -11.665 -13.245 -6.301 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -9.117 -15.500 -6.561 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -10.134 -16.857 -7.057 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -12.994 -14.888 -7.468 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -12.310 -16.514 -7.565 1.00 0.00 H new ATOM 538 N VAL A 91 -9.121 -10.859 -2.073 1.00 0.00 N ATOM 539 CA VAL A 91 -9.358 -10.954 -0.636 1.00 0.00 C ATOM 540 C VAL A 91 -9.636 -9.571 -0.057 1.00 0.00 C ATOM 541 O VAL A 91 -10.537 -9.403 0.764 1.00 0.00 O ATOM 542 CB VAL A 91 -8.132 -11.562 0.055 1.00 0.00 C ATOM 543 CG1 VAL A 91 -8.311 -11.490 1.574 1.00 0.00 C ATOM 544 CG2 VAL A 91 -7.980 -13.024 -0.370 1.00 0.00 C ATOM 0 H VAL A 91 -8.216 -11.216 -2.380 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.224 -11.593 -0.465 1.00 0.00 H new ATOM 0 HB VAL A 91 -7.241 -11.004 -0.232 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.439 -11.923 2.064 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -8.419 -10.449 1.879 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.203 -12.047 1.862 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -7.108 -13.457 0.121 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -8.872 -13.581 -0.083 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -7.851 -13.077 -1.451 1.00 0.00 H new ATOM 554 N GLU A 92 -8.858 -8.585 -0.488 1.00 0.00 N ATOM 555 CA GLU A 92 -9.032 -7.221 -0.002 1.00 0.00 C ATOM 556 C GLU A 92 -10.307 -6.613 -0.569 1.00 0.00 C ATOM 557 O GLU A 92 -10.843 -5.647 -0.023 1.00 0.00 O ATOM 558 CB GLU A 92 -7.831 -6.364 -0.408 1.00 0.00 C ATOM 559 CG GLU A 92 -6.590 -6.825 0.357 1.00 0.00 C ATOM 560 CD GLU A 92 -6.752 -6.524 1.844 1.00 0.00 C ATOM 561 OE1 GLU A 92 -7.555 -5.664 2.169 1.00 0.00 O ATOM 562 OE2 GLU A 92 -6.077 -7.161 2.635 1.00 0.00 O ATOM 0 H GLU A 92 -8.106 -8.702 -1.167 1.00 0.00 H new ATOM 0 HA GLU A 92 -9.106 -7.248 1.085 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -7.660 -6.445 -1.481 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -8.032 -5.314 -0.196 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -6.437 -7.894 0.208 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -5.705 -6.320 -0.030 1.00 0.00 H new ATOM 569 N ASP A 93 -10.799 -7.186 -1.664 1.00 0.00 N ATOM 570 CA ASP A 93 -12.025 -6.696 -2.290 1.00 0.00 C ATOM 571 C ASP A 93 -13.228 -7.494 -1.793 1.00 0.00 C ATOM 572 O ASP A 93 -13.768 -8.334 -2.514 1.00 0.00 O ATOM 573 CB ASP A 93 -11.918 -6.819 -3.812 1.00 0.00 C ATOM 574 CG ASP A 93 -11.056 -5.691 -4.368 1.00 0.00 C ATOM 575 OD1 ASP A 93 -11.398 -4.542 -4.130 1.00 0.00 O ATOM 576 OD2 ASP A 93 -10.071 -5.988 -5.020 1.00 0.00 O ATOM 0 H ASP A 93 -10.372 -7.984 -2.134 1.00 0.00 H new ATOM 0 HA ASP A 93 -12.160 -5.648 -2.022 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -11.485 -7.783 -4.077 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -12.912 -6.782 -4.259 1.00 0.00 H new ATOM 581 N LYS A 94 -13.646 -7.221 -0.564 1.00 0.00 N ATOM 582 CA LYS A 94 -14.787 -7.919 0.017 1.00 0.00 C ATOM 583 C LYS A 94 -16.038 -7.696 -0.823 1.00 0.00 C ATOM 584 O LYS A 94 -16.853 -8.604 -0.992 1.00 0.00 O ATOM 585 CB LYS A 94 -15.031 -7.421 1.442 1.00 0.00 C ATOM 586 CG LYS A 94 -13.906 -7.912 2.357 1.00 0.00 C ATOM 587 CD LYS A 94 -14.046 -7.262 3.735 1.00 0.00 C ATOM 588 CE LYS A 94 -15.299 -7.797 4.434 1.00 0.00 C ATOM 589 NZ LYS A 94 -15.229 -7.480 5.886 1.00 0.00 N ATOM 0 H LYS A 94 -13.216 -6.526 0.047 1.00 0.00 H new ATOM 0 HA LYS A 94 -14.564 -8.986 0.037 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -15.075 -6.332 1.455 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -15.993 -7.783 1.805 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -13.946 -8.997 2.450 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -12.937 -7.665 1.924 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -13.163 -7.473 4.339 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -14.110 -6.179 3.632 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -16.192 -7.351 3.996 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -15.377 -8.874 4.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -16.080 -7.843 6.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -14.385 -7.926 6.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -15.174 -6.449 6.014 1.00 0.00 H new ATOM 603 N ASP A 95 -16.188 -6.484 -1.344 1.00 0.00 N ATOM 604 CA ASP A 95 -17.347 -6.152 -2.163 1.00 0.00 C ATOM 605 C ASP A 95 -17.160 -6.654 -3.592 1.00 0.00 C ATOM 606 O ASP A 95 -18.030 -6.466 -4.443 1.00 0.00 O ATOM 607 CB ASP A 95 -17.557 -4.636 -2.175 1.00 0.00 C ATOM 608 CG ASP A 95 -16.255 -3.930 -2.545 1.00 0.00 C ATOM 609 OD1 ASP A 95 -15.220 -4.580 -2.552 1.00 0.00 O ATOM 610 OD2 ASP A 95 -16.309 -2.742 -2.809 1.00 0.00 O ATOM 0 H ASP A 95 -15.526 -5.719 -1.215 1.00 0.00 H new ATOM 0 HA ASP A 95 -18.223 -6.639 -1.734 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -18.337 -4.375 -2.890 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -17.896 -4.300 -1.195 1.00 0.00 H new ATOM 615 N GLY A 96 -16.020 -7.288 -3.845 1.00 0.00 N ATOM 616 CA GLY A 96 -15.730 -7.812 -5.175 1.00 0.00 C ATOM 617 C GLY A 96 -15.715 -6.692 -6.205 1.00 0.00 C ATOM 618 O GLY A 96 -16.105 -6.887 -7.357 1.00 0.00 O ATOM 0 H GLY A 96 -15.288 -7.451 -3.154 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -14.765 -8.319 -5.169 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -16.479 -8.555 -5.450 1.00 0.00 H new ATOM 622 N ASN A 97 -15.269 -5.512 -5.792 1.00 0.00 N ATOM 623 CA ASN A 97 -15.213 -4.365 -6.684 1.00 0.00 C ATOM 624 C ASN A 97 -13.852 -4.276 -7.359 1.00 0.00 C ATOM 625 O ASN A 97 -12.824 -4.152 -6.694 1.00 0.00 O ATOM 626 CB ASN A 97 -15.479 -3.076 -5.897 1.00 0.00 C ATOM 627 CG ASN A 97 -14.522 -2.978 -4.718 1.00 0.00 C ATOM 628 OD1 ASN A 97 -14.469 -1.946 -4.045 1.00 0.00 O ATOM 629 ND2 ASN A 97 -13.748 -3.992 -4.433 1.00 0.00 N ATOM 0 H ASN A 97 -14.941 -5.326 -4.844 1.00 0.00 H new ATOM 0 HA ASN A 97 -15.978 -4.489 -7.450 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -15.356 -2.211 -6.548 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -16.509 -3.063 -5.541 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -13.096 -3.932 -3.651 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -13.796 -4.843 -4.993 1.00 0.00 H new ATOM 636 N GLY A 98 -13.856 -4.330 -8.683 1.00 0.00 N ATOM 637 CA GLY A 98 -12.615 -4.246 -9.453 1.00 0.00 C ATOM 638 C GLY A 98 -11.802 -3.028 -9.034 1.00 0.00 C ATOM 639 O GLY A 98 -10.712 -2.787 -9.555 1.00 0.00 O ATOM 0 H GLY A 98 -14.699 -4.431 -9.248 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -12.026 -5.151 -9.303 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -12.845 -4.188 -10.517 1.00 0.00 H new ATOM 643 N TYR A 99 -12.333 -2.253 -8.089 1.00 0.00 N ATOM 644 CA TYR A 99 -11.647 -1.060 -7.607 1.00 0.00 C ATOM 645 C TYR A 99 -11.550 -1.087 -6.088 1.00 0.00 C ATOM 646 O TYR A 99 -12.401 -1.656 -5.399 1.00 0.00 O ATOM 647 CB TYR A 99 -12.413 0.192 -8.041 1.00 0.00 C ATOM 648 CG TYR A 99 -12.526 0.214 -9.545 1.00 0.00 C ATOM 649 CD1 TYR A 99 -13.605 -0.418 -10.174 1.00 0.00 C ATOM 650 CD2 TYR A 99 -11.554 0.867 -10.311 1.00 0.00 C ATOM 651 CE1 TYR A 99 -13.712 -0.397 -11.570 1.00 0.00 C ATOM 652 CE2 TYR A 99 -11.659 0.888 -11.707 1.00 0.00 C ATOM 653 CZ TYR A 99 -12.739 0.256 -12.336 1.00 0.00 C ATOM 654 OH TYR A 99 -12.844 0.275 -13.712 1.00 0.00 O ATOM 0 H TYR A 99 -13.234 -2.431 -7.645 1.00 0.00 H new ATOM 0 HA TYR A 99 -10.643 -1.040 -8.032 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -13.406 0.199 -7.591 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -11.898 1.087 -7.691 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -14.355 -0.922 -9.583 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -10.722 1.355 -9.825 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -14.545 -0.884 -12.055 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -10.908 1.391 -12.298 1.00 0.00 H new ATOM 0 HH TYR A 99 -12.088 0.770 -14.091 1.00 0.00 H new ATOM 664 N ILE A 100 -10.491 -0.477 -5.561 1.00 0.00 N ATOM 665 CA ILE A 100 -10.274 -0.439 -4.116 1.00 0.00 C ATOM 666 C ILE A 100 -10.444 0.980 -3.591 1.00 0.00 C ATOM 667 O ILE A 100 -9.881 1.929 -4.136 1.00 0.00 O ATOM 668 CB ILE A 100 -8.871 -0.944 -3.780 1.00 0.00 C ATOM 669 CG1 ILE A 100 -8.730 -2.397 -4.240 1.00 0.00 C ATOM 670 CG2 ILE A 100 -8.648 -0.865 -2.267 1.00 0.00 C ATOM 671 CD1 ILE A 100 -7.277 -2.847 -4.075 1.00 0.00 C ATOM 0 H ILE A 100 -9.773 -0.004 -6.109 1.00 0.00 H new ATOM 0 HA ILE A 100 -11.012 -1.085 -3.640 1.00 0.00 H new ATOM 0 HB ILE A 100 -8.131 -0.327 -4.289 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.389 -3.040 -3.656 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -9.034 -2.491 -5.282 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -7.648 -1.225 -2.027 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -8.750 0.169 -1.938 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -9.388 -1.483 -1.757 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -7.177 -3.882 -4.403 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -6.629 -2.211 -4.678 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -6.989 -2.769 -3.027 1.00 0.00 H new ATOM 683 N SER A 101 -11.226 1.121 -2.522 1.00 0.00 N ATOM 684 CA SER A 101 -11.461 2.431 -1.922 1.00 0.00 C ATOM 685 C SER A 101 -10.422 2.719 -0.841 1.00 0.00 C ATOM 686 O SER A 101 -9.569 1.880 -0.546 1.00 0.00 O ATOM 687 CB SER A 101 -12.860 2.485 -1.313 1.00 0.00 C ATOM 688 OG SER A 101 -12.981 3.658 -0.519 1.00 0.00 O ATOM 0 H SER A 101 -11.704 0.349 -2.057 1.00 0.00 H new ATOM 0 HA SER A 101 -11.377 3.187 -2.703 1.00 0.00 H new ATOM 0 HB2 SER A 101 -13.613 2.486 -2.101 1.00 0.00 H new ATOM 0 HB3 SER A 101 -13.038 1.599 -0.703 1.00 0.00 H new ATOM 0 HG SER A 101 -13.879 3.697 -0.128 1.00 0.00 H new ATOM 694 N ALA A 102 -10.496 3.913 -0.259 1.00 0.00 N ATOM 695 CA ALA A 102 -9.554 4.302 0.784 1.00 0.00 C ATOM 696 C ALA A 102 -9.746 3.444 2.032 1.00 0.00 C ATOM 697 O ALA A 102 -8.780 2.935 2.601 1.00 0.00 O ATOM 698 CB ALA A 102 -9.750 5.775 1.140 1.00 0.00 C ATOM 0 H ALA A 102 -11.192 4.622 -0.490 1.00 0.00 H new ATOM 0 HA ALA A 102 -8.543 4.150 0.407 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -9.043 6.058 1.920 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -9.580 6.389 0.256 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -10.767 5.930 1.499 1.00 0.00 H new ATOM 704 N ALA A 103 -10.998 3.285 2.447 1.00 0.00 N ATOM 705 CA ALA A 103 -11.305 2.495 3.635 1.00 0.00 C ATOM 706 C ALA A 103 -10.683 1.107 3.516 1.00 0.00 C ATOM 707 O ALA A 103 -10.034 0.629 4.446 1.00 0.00 O ATOM 708 CB ALA A 103 -12.820 2.363 3.793 1.00 0.00 C ATOM 0 H ALA A 103 -11.812 3.689 1.983 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.892 2.999 4.509 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -13.043 1.772 4.681 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -13.263 3.354 3.895 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -13.236 1.869 2.915 1.00 0.00 H new ATOM 714 N GLU A 104 -10.874 0.471 2.365 1.00 0.00 N ATOM 715 CA GLU A 104 -10.313 -0.858 2.133 1.00 0.00 C ATOM 716 C GLU A 104 -8.792 -0.786 2.049 1.00 0.00 C ATOM 717 O GLU A 104 -8.091 -1.691 2.499 1.00 0.00 O ATOM 718 CB GLU A 104 -10.878 -1.442 0.838 1.00 0.00 C ATOM 719 CG GLU A 104 -12.309 -1.931 1.077 1.00 0.00 C ATOM 720 CD GLU A 104 -13.039 -2.077 -0.251 1.00 0.00 C ATOM 721 OE1 GLU A 104 -12.924 -1.179 -1.069 1.00 0.00 O ATOM 722 OE2 GLU A 104 -13.701 -3.084 -0.434 1.00 0.00 O ATOM 0 H GLU A 104 -11.408 0.849 1.583 1.00 0.00 H new ATOM 0 HA GLU A 104 -10.587 -1.503 2.968 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -10.867 -0.687 0.052 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -10.253 -2.267 0.496 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -12.293 -2.888 1.599 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -12.840 -1.227 1.718 1.00 0.00 H new ATOM 729 N LEU A 105 -8.290 0.297 1.470 1.00 0.00 N ATOM 730 CA LEU A 105 -6.857 0.484 1.339 1.00 0.00 C ATOM 731 C LEU A 105 -6.200 0.585 2.714 1.00 0.00 C ATOM 732 O LEU A 105 -5.045 0.197 2.895 1.00 0.00 O ATOM 733 CB LEU A 105 -6.561 1.750 0.532 1.00 0.00 C ATOM 734 CG LEU A 105 -5.036 1.898 0.335 1.00 0.00 C ATOM 735 CD1 LEU A 105 -4.744 2.324 -1.105 1.00 0.00 C ATOM 736 CD2 LEU A 105 -4.496 2.958 1.301 1.00 0.00 C ATOM 0 H LEU A 105 -8.854 1.055 1.086 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.446 -0.379 0.816 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -7.059 1.700 -0.436 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -6.957 2.624 1.050 1.00 0.00 H new ATOM 0 HG LEU A 105 -4.551 0.943 0.535 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.668 2.428 -1.243 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.126 1.569 -1.792 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -5.230 3.279 -1.308 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -3.420 3.062 1.162 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.982 3.913 1.102 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.701 2.653 2.327 1.00 0.00 H new ATOM 748 N ARG A 106 -6.941 1.126 3.674 1.00 0.00 N ATOM 749 CA ARG A 106 -6.430 1.275 5.031 1.00 0.00 C ATOM 750 C ARG A 106 -6.326 -0.089 5.721 1.00 0.00 C ATOM 751 O ARG A 106 -5.439 -0.310 6.542 1.00 0.00 O ATOM 752 CB ARG A 106 -7.342 2.203 5.837 1.00 0.00 C ATOM 753 CG ARG A 106 -6.738 2.436 7.224 1.00 0.00 C ATOM 754 CD ARG A 106 -7.658 3.352 8.032 1.00 0.00 C ATOM 755 NE ARG A 106 -7.662 4.694 7.464 1.00 0.00 N ATOM 756 CZ ARG A 106 -8.404 5.662 7.993 1.00 0.00 C ATOM 757 NH1 ARG A 106 -8.832 5.559 9.221 1.00 0.00 N ATOM 758 NH2 ARG A 106 -8.703 6.716 7.283 1.00 0.00 N ATOM 0 H ARG A 106 -7.893 1.467 3.539 1.00 0.00 H new ATOM 0 HA ARG A 106 -5.433 1.713 4.979 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -7.462 3.153 5.317 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -8.335 1.763 5.931 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -6.609 1.485 7.741 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -5.749 2.886 7.131 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -8.671 2.949 8.037 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -7.325 3.390 9.069 1.00 0.00 H new ATOM 0 HE ARG A 106 -7.086 4.894 6.647 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -8.597 4.736 9.775 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -9.401 6.302 9.627 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -8.367 6.796 6.323 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -9.272 7.459 7.688 1.00 0.00 H new ATOM 772 N HIS A 107 -7.260 -0.975 5.399 1.00 0.00 N ATOM 773 CA HIS A 107 -7.286 -2.297 6.013 1.00 0.00 C ATOM 774 C HIS A 107 -5.945 -2.996 5.809 1.00 0.00 C ATOM 775 O HIS A 107 -5.435 -3.656 6.716 1.00 0.00 O ATOM 776 CB HIS A 107 -8.400 -3.140 5.393 1.00 0.00 C ATOM 777 CG HIS A 107 -9.732 -2.515 5.706 1.00 0.00 C ATOM 778 ND1 HIS A 107 -10.076 -1.402 6.432 1.00 0.00 N flip ATOM 779 CD2 HIS A 107 -10.925 -3.047 5.240 1.00 0.00 C flip ATOM 780 CE1 HIS A 107 -11.459 -1.243 6.418 1.00 0.00 C flip ATOM 781 NE2 HIS A 107 -11.921 -2.260 5.687 1.00 0.00 N flip ATOM 0 H HIS A 107 -8.004 -0.805 4.722 1.00 0.00 H new ATOM 0 HA HIS A 107 -7.473 -2.183 7.081 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -8.262 -3.208 4.314 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -8.362 -4.157 5.784 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -11.035 -3.931 4.630 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -12.035 -0.464 6.896 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -12.909 -2.421 5.491 1.00 0.00 H new ATOM 789 N VAL A 108 -5.379 -2.848 4.617 1.00 0.00 N ATOM 790 CA VAL A 108 -4.097 -3.470 4.312 1.00 0.00 C ATOM 791 C VAL A 108 -2.995 -2.894 5.197 1.00 0.00 C ATOM 792 O VAL A 108 -2.179 -3.635 5.747 1.00 0.00 O ATOM 793 CB VAL A 108 -3.745 -3.240 2.838 1.00 0.00 C ATOM 794 CG1 VAL A 108 -2.319 -3.728 2.567 1.00 0.00 C ATOM 795 CG2 VAL A 108 -4.723 -4.019 1.955 1.00 0.00 C ATOM 0 H VAL A 108 -5.783 -2.308 3.852 1.00 0.00 H new ATOM 0 HA VAL A 108 -4.178 -4.540 4.505 1.00 0.00 H new ATOM 0 HB VAL A 108 -3.813 -2.176 2.612 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -2.071 -3.563 1.518 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -1.620 -3.177 3.196 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -2.249 -4.792 2.794 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -4.475 -3.857 0.906 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -4.653 -5.082 2.184 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -5.739 -3.673 2.145 1.00 0.00 H new ATOM 805 N MET A 109 -2.973 -1.572 5.323 1.00 0.00 N ATOM 806 CA MET A 109 -1.959 -0.911 6.137 1.00 0.00 C ATOM 807 C MET A 109 -2.091 -1.330 7.598 1.00 0.00 C ATOM 808 O MET A 109 -1.095 -1.594 8.269 1.00 0.00 O ATOM 809 CB MET A 109 -2.113 0.610 6.023 1.00 0.00 C ATOM 810 CG MET A 109 -1.493 1.092 4.709 1.00 0.00 C ATOM 811 SD MET A 109 -2.380 0.350 3.318 1.00 0.00 S ATOM 812 CE MET A 109 -1.024 0.422 2.121 1.00 0.00 C ATOM 0 H MET A 109 -3.639 -0.941 4.877 1.00 0.00 H new ATOM 0 HA MET A 109 -0.974 -1.206 5.774 1.00 0.00 H new ATOM 0 HB2 MET A 109 -3.168 0.883 6.061 1.00 0.00 H new ATOM 0 HB3 MET A 109 -1.627 1.099 6.867 1.00 0.00 H new ATOM 0 HG2 MET A 109 -1.543 2.179 4.648 1.00 0.00 H new ATOM 0 HG3 MET A 109 -0.439 0.818 4.670 1.00 0.00 H new ATOM 0 HE1 MET A 109 -1.356 0.007 1.170 1.00 0.00 H new ATOM 0 HE2 MET A 109 -0.720 1.459 1.978 1.00 0.00 H new ATOM 0 HE3 MET A 109 -0.178 -0.156 2.494 1.00 0.00 H new ATOM 822 N THR A 110 -3.328 -1.398 8.080 1.00 0.00 N ATOM 823 CA THR A 110 -3.582 -1.793 9.460 1.00 0.00 C ATOM 824 C THR A 110 -3.101 -3.222 9.698 1.00 0.00 C ATOM 825 O THR A 110 -2.526 -3.529 10.742 1.00 0.00 O ATOM 826 CB THR A 110 -5.076 -1.693 9.769 1.00 0.00 C ATOM 827 OG1 THR A 110 -5.577 -0.460 9.272 1.00 0.00 O ATOM 828 CG2 THR A 110 -5.289 -1.758 11.282 1.00 0.00 C ATOM 0 H THR A 110 -4.166 -1.186 7.538 1.00 0.00 H new ATOM 0 HA THR A 110 -3.035 -1.120 10.120 1.00 0.00 H new ATOM 0 HB THR A 110 -5.604 -2.520 9.293 1.00 0.00 H new ATOM 0 HG1 THR A 110 -5.657 -0.509 8.296 1.00 0.00 H new ATOM 0 HG21 THR A 110 -6.354 -1.687 11.503 1.00 0.00 H new ATOM 0 HG22 THR A 110 -4.902 -2.703 11.664 1.00 0.00 H new ATOM 0 HG23 THR A 110 -4.763 -0.931 11.759 1.00 0.00 H new ATOM 836 N ASN A 111 -3.347 -4.094 8.727 1.00 0.00 N ATOM 837 CA ASN A 111 -2.937 -5.489 8.839 1.00 0.00 C ATOM 838 C ASN A 111 -1.420 -5.591 8.963 1.00 0.00 C ATOM 839 O ASN A 111 -0.904 -6.435 9.697 1.00 0.00 O ATOM 840 CB ASN A 111 -3.406 -6.274 7.613 1.00 0.00 C ATOM 841 CG ASN A 111 -4.920 -6.448 7.652 1.00 0.00 C ATOM 842 OD1 ASN A 111 -5.633 -6.108 6.614 1.00 0.00 O flip ATOM 843 ND2 ASN A 111 -5.468 -6.905 8.655 1.00 0.00 N flip ATOM 0 H ASN A 111 -3.826 -3.861 7.857 1.00 0.00 H new ATOM 0 HA ASN A 111 -3.394 -5.912 9.734 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -3.115 -5.750 6.703 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -2.920 -7.249 7.588 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -4.909 -7.170 9.466 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -6.481 -7.018 8.675 1.00 0.00 H new ATOM 850 N LEU A 112 -0.712 -4.730 8.241 1.00 0.00 N ATOM 851 CA LEU A 112 0.745 -4.736 8.274 1.00 0.00 C ATOM 852 C LEU A 112 1.252 -4.201 9.603 1.00 0.00 C ATOM 853 O LEU A 112 2.416 -4.391 9.958 1.00 0.00 O ATOM 854 CB LEU A 112 1.295 -3.875 7.136 1.00 0.00 C ATOM 855 CG LEU A 112 0.955 -4.527 5.793 1.00 0.00 C ATOM 856 CD1 LEU A 112 1.217 -3.532 4.660 1.00 0.00 C ATOM 857 CD2 LEU A 112 1.826 -5.777 5.587 1.00 0.00 C ATOM 0 H LEU A 112 -1.120 -4.023 7.629 1.00 0.00 H new ATOM 0 HA LEU A 112 1.088 -5.764 8.154 1.00 0.00 H new ATOM 0 HB2 LEU A 112 0.868 -2.873 7.185 1.00 0.00 H new ATOM 0 HB3 LEU A 112 2.375 -3.767 7.237 1.00 0.00 H new ATOM 0 HG LEU A 112 -0.096 -4.815 5.790 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.975 -3.997 3.704 1.00 0.00 H new ATOM 0 HD12 LEU A 112 0.596 -2.648 4.801 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.268 -3.242 4.666 1.00 0.00 H new ATOM 0 HD21 LEU A 112 1.581 -6.238 4.630 1.00 0.00 H new ATOM 0 HD22 LEU A 112 2.878 -5.492 5.594 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.638 -6.488 6.391 1.00 0.00 H new ATOM 869 N GLY A 113 0.372 -3.535 10.344 1.00 0.00 N ATOM 870 CA GLY A 113 0.741 -2.978 11.646 1.00 0.00 C ATOM 871 C GLY A 113 0.860 -1.463 11.575 1.00 0.00 C ATOM 872 O GLY A 113 0.888 -0.784 12.602 1.00 0.00 O ATOM 0 H GLY A 113 -0.596 -3.367 10.070 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -0.007 -3.253 12.389 1.00 0.00 H new ATOM 0 HA3 GLY A 113 1.688 -3.406 11.974 1.00 0.00 H new ATOM 876 N GLU A 114 0.927 -0.935 10.357 1.00 0.00 N ATOM 877 CA GLU A 114 1.041 0.507 10.165 1.00 0.00 C ATOM 878 C GLU A 114 -0.330 1.159 10.209 1.00 0.00 C ATOM 879 O GLU A 114 -1.275 0.692 9.568 1.00 0.00 O ATOM 880 CB GLU A 114 1.701 0.805 8.818 1.00 0.00 C ATOM 881 CG GLU A 114 3.180 0.422 8.881 1.00 0.00 C ATOM 882 CD GLU A 114 3.323 -1.094 8.944 1.00 0.00 C ATOM 883 OE1 GLU A 114 2.380 -1.774 8.577 1.00 0.00 O ATOM 884 OE2 GLU A 114 4.373 -1.554 9.363 1.00 0.00 O ATOM 0 H GLU A 114 0.905 -1.479 9.494 1.00 0.00 H new ATOM 0 HA GLU A 114 1.654 0.914 10.969 1.00 0.00 H new ATOM 0 HB2 GLU A 114 1.203 0.247 8.025 1.00 0.00 H new ATOM 0 HB3 GLU A 114 1.598 1.863 8.576 1.00 0.00 H new ATOM 0 HG2 GLU A 114 3.702 0.809 8.006 1.00 0.00 H new ATOM 0 HG3 GLU A 114 3.645 0.876 9.756 1.00 0.00 H new ATOM 891 N LYS A 115 -0.446 2.244 10.977 1.00 0.00 N ATOM 892 CA LYS A 115 -1.719 2.955 11.099 1.00 0.00 C ATOM 893 C LYS A 115 -1.601 4.353 10.514 1.00 0.00 C ATOM 894 O LYS A 115 -0.873 5.200 11.034 1.00 0.00 O ATOM 895 CB LYS A 115 -2.121 3.051 12.571 1.00 0.00 C ATOM 896 CG LYS A 115 -3.517 3.672 12.675 1.00 0.00 C ATOM 897 CD LYS A 115 -3.958 3.691 14.140 1.00 0.00 C ATOM 898 CE LYS A 115 -5.359 4.296 14.243 1.00 0.00 C ATOM 899 NZ LYS A 115 -5.789 4.312 15.670 1.00 0.00 N ATOM 0 H LYS A 115 0.319 2.646 11.519 1.00 0.00 H new ATOM 0 HA LYS A 115 -2.481 2.403 10.549 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -2.116 2.061 13.027 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -1.399 3.657 13.118 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -3.507 4.685 12.274 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -4.227 3.100 12.078 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -3.957 2.679 14.544 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -3.254 4.273 14.735 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -5.360 5.309 13.840 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -6.062 3.715 13.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -6.742 4.723 15.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -5.803 3.340 16.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -5.123 4.884 16.227 1.00 0.00 H new ATOM 913 N LEU A 116 -2.320 4.596 9.420 1.00 0.00 N ATOM 914 CA LEU A 116 -2.289 5.903 8.764 1.00 0.00 C ATOM 915 C LEU A 116 -3.573 6.673 9.052 1.00 0.00 C ATOM 916 O LEU A 116 -4.658 6.095 9.109 1.00 0.00 O ATOM 917 CB LEU A 116 -2.130 5.725 7.249 1.00 0.00 C ATOM 918 CG LEU A 116 -0.671 5.397 6.924 1.00 0.00 C ATOM 919 CD1 LEU A 116 -0.288 4.053 7.556 1.00 0.00 C ATOM 920 CD2 LEU A 116 -0.493 5.318 5.406 1.00 0.00 C ATOM 0 H LEU A 116 -2.928 3.911 8.971 1.00 0.00 H new ATOM 0 HA LEU A 116 -1.441 6.466 9.155 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -2.781 4.925 6.896 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -2.433 6.635 6.731 1.00 0.00 H new ATOM 0 HG LEU A 116 -0.027 6.179 7.327 1.00 0.00 H new ATOM 0 HD11 LEU A 116 0.752 3.824 7.322 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -0.412 4.111 8.637 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.931 3.268 7.159 1.00 0.00 H new ATOM 0 HD21 LEU A 116 0.546 5.084 5.173 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -1.139 4.538 5.004 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -0.759 6.276 4.958 1.00 0.00 H new ATOM 932 N THR A 117 -3.439 7.985 9.231 1.00 0.00 N ATOM 933 CA THR A 117 -4.592 8.829 9.514 1.00 0.00 C ATOM 934 C THR A 117 -5.405 9.063 8.245 1.00 0.00 C ATOM 935 O THR A 117 -4.982 8.694 7.149 1.00 0.00 O ATOM 936 CB THR A 117 -4.134 10.172 10.083 1.00 0.00 C ATOM 937 OG1 THR A 117 -3.381 10.865 9.100 1.00 0.00 O ATOM 938 CG2 THR A 117 -3.266 9.935 11.319 1.00 0.00 C ATOM 0 H THR A 117 -2.549 8.482 9.185 1.00 0.00 H new ATOM 0 HA THR A 117 -5.218 8.321 10.248 1.00 0.00 H new ATOM 0 HB THR A 117 -5.004 10.766 10.362 1.00 0.00 H new ATOM 0 HG1 THR A 117 -2.727 11.448 9.540 1.00 0.00 H new ATOM 0 HG21 THR A 117 -2.940 10.893 11.724 1.00 0.00 H new ATOM 0 HG22 THR A 117 -3.844 9.400 12.073 1.00 0.00 H new ATOM 0 HG23 THR A 117 -2.394 9.342 11.043 1.00 0.00 H new ATOM 946 N ASP A 118 -6.578 9.665 8.403 1.00 0.00 N ATOM 947 CA ASP A 118 -7.448 9.926 7.263 1.00 0.00 C ATOM 948 C ASP A 118 -6.752 10.823 6.247 1.00 0.00 C ATOM 949 O ASP A 118 -6.860 10.607 5.039 1.00 0.00 O ATOM 950 CB ASP A 118 -8.741 10.597 7.736 1.00 0.00 C ATOM 951 CG ASP A 118 -9.756 10.638 6.598 1.00 0.00 C ATOM 952 OD1 ASP A 118 -9.340 10.532 5.457 1.00 0.00 O ATOM 953 OD2 ASP A 118 -10.934 10.778 6.885 1.00 0.00 O ATOM 0 H ASP A 118 -6.946 9.979 9.301 1.00 0.00 H new ATOM 0 HA ASP A 118 -7.683 8.974 6.787 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -9.155 10.050 8.583 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -8.530 11.609 8.082 1.00 0.00 H new ATOM 958 N GLU A 119 -6.040 11.831 6.741 1.00 0.00 N ATOM 959 CA GLU A 119 -5.334 12.753 5.865 1.00 0.00 C ATOM 960 C GLU A 119 -4.170 12.054 5.170 1.00 0.00 C ATOM 961 O GLU A 119 -3.918 12.278 3.986 1.00 0.00 O ATOM 962 CB GLU A 119 -4.807 13.939 6.677 1.00 0.00 C ATOM 963 CG GLU A 119 -4.198 14.974 5.731 1.00 0.00 C ATOM 964 CD GLU A 119 -3.736 16.196 6.520 1.00 0.00 C ATOM 965 OE1 GLU A 119 -3.678 16.103 7.735 1.00 0.00 O ATOM 966 OE2 GLU A 119 -3.447 17.205 5.898 1.00 0.00 O ATOM 0 H GLU A 119 -5.938 12.028 7.737 1.00 0.00 H new ATOM 0 HA GLU A 119 -6.031 13.109 5.106 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -5.617 14.388 7.252 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -4.058 13.599 7.393 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -3.355 14.537 5.195 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -4.933 15.271 4.982 1.00 0.00 H new ATOM 973 N GLU A 120 -3.465 11.207 5.912 1.00 0.00 N ATOM 974 CA GLU A 120 -2.330 10.480 5.356 1.00 0.00 C ATOM 975 C GLU A 120 -2.780 9.554 4.234 1.00 0.00 C ATOM 976 O GLU A 120 -2.137 9.473 3.188 1.00 0.00 O ATOM 977 CB GLU A 120 -1.645 9.663 6.453 1.00 0.00 C ATOM 978 CG GLU A 120 -0.898 10.601 7.403 1.00 0.00 C ATOM 979 CD GLU A 120 0.297 11.225 6.689 1.00 0.00 C ATOM 980 OE1 GLU A 120 0.738 10.652 5.706 1.00 0.00 O ATOM 981 OE2 GLU A 120 0.750 12.266 7.133 1.00 0.00 O ATOM 0 H GLU A 120 -3.658 11.008 6.894 1.00 0.00 H new ATOM 0 HA GLU A 120 -1.625 11.205 4.949 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -2.386 9.084 7.005 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -0.950 8.950 6.009 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -1.569 11.383 7.757 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -0.560 10.050 8.280 1.00 0.00 H new ATOM 988 N VAL A 121 -3.890 8.861 4.456 1.00 0.00 N ATOM 989 CA VAL A 121 -4.418 7.945 3.453 1.00 0.00 C ATOM 990 C VAL A 121 -4.785 8.701 2.180 1.00 0.00 C ATOM 991 O VAL A 121 -4.457 8.270 1.077 1.00 0.00 O ATOM 992 CB VAL A 121 -5.656 7.229 4.001 1.00 0.00 C ATOM 993 CG1 VAL A 121 -6.332 6.436 2.877 1.00 0.00 C ATOM 994 CG2 VAL A 121 -5.237 6.269 5.118 1.00 0.00 C ATOM 0 H VAL A 121 -4.438 8.915 5.314 1.00 0.00 H new ATOM 0 HA VAL A 121 -3.649 7.210 3.216 1.00 0.00 H new ATOM 0 HB VAL A 121 -6.355 7.967 4.395 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -7.213 5.927 3.269 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -6.631 7.117 2.080 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -5.634 5.699 2.481 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -6.118 5.759 5.509 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -4.537 5.533 4.722 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -4.758 6.831 5.920 1.00 0.00 H new ATOM 1004 N ASP A 122 -5.473 9.824 2.341 1.00 0.00 N ATOM 1005 CA ASP A 122 -5.887 10.623 1.194 1.00 0.00 C ATOM 1006 C ASP A 122 -4.669 11.113 0.416 1.00 0.00 C ATOM 1007 O ASP A 122 -4.639 11.046 -0.809 1.00 0.00 O ATOM 1008 CB ASP A 122 -6.705 11.826 1.667 1.00 0.00 C ATOM 1009 CG ASP A 122 -7.436 12.458 0.487 1.00 0.00 C ATOM 1010 OD1 ASP A 122 -7.210 12.016 -0.628 1.00 0.00 O ATOM 1011 OD2 ASP A 122 -8.212 13.371 0.715 1.00 0.00 O ATOM 0 H ASP A 122 -5.754 10.200 3.246 1.00 0.00 H new ATOM 0 HA ASP A 122 -6.497 9.999 0.541 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -7.423 11.512 2.424 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -6.049 12.561 2.135 1.00 0.00 H new ATOM 1016 N GLU A 123 -3.669 11.599 1.139 1.00 0.00 N ATOM 1017 CA GLU A 123 -2.452 12.096 0.505 1.00 0.00 C ATOM 1018 C GLU A 123 -1.666 10.951 -0.122 1.00 0.00 C ATOM 1019 O GLU A 123 -1.093 11.095 -1.202 1.00 0.00 O ATOM 1020 CB GLU A 123 -1.580 12.815 1.535 1.00 0.00 C ATOM 1021 CG GLU A 123 -2.275 14.103 1.983 1.00 0.00 C ATOM 1022 CD GLU A 123 -1.450 14.788 3.068 1.00 0.00 C ATOM 1023 OE1 GLU A 123 -0.418 14.249 3.431 1.00 0.00 O ATOM 1024 OE2 GLU A 123 -1.862 15.846 3.517 1.00 0.00 O ATOM 0 H GLU A 123 -3.674 11.660 2.157 1.00 0.00 H new ATOM 0 HA GLU A 123 -2.736 12.797 -0.280 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -1.404 12.167 2.394 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -0.606 13.046 1.104 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -2.401 14.773 1.133 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -3.272 13.876 2.361 1.00 0.00 H new ATOM 1031 N MET A 124 -1.636 9.814 0.564 1.00 0.00 N ATOM 1032 CA MET A 124 -0.913 8.658 0.065 1.00 0.00 C ATOM 1033 C MET A 124 -1.492 8.185 -1.263 1.00 0.00 C ATOM 1034 O MET A 124 -0.755 7.937 -2.219 1.00 0.00 O ATOM 1035 CB MET A 124 -0.988 7.516 1.085 1.00 0.00 C ATOM 1036 CG MET A 124 -0.192 6.312 0.570 1.00 0.00 C ATOM 1037 SD MET A 124 -1.230 5.336 -0.548 1.00 0.00 S ATOM 1038 CE MET A 124 -0.278 3.802 -0.464 1.00 0.00 C ATOM 0 H MET A 124 -2.101 9.672 1.460 1.00 0.00 H new ATOM 0 HA MET A 124 0.126 8.949 -0.089 1.00 0.00 H new ATOM 0 HB2 MET A 124 -0.589 7.845 2.044 1.00 0.00 H new ATOM 0 HB3 MET A 124 -2.027 7.233 1.253 1.00 0.00 H new ATOM 0 HG2 MET A 124 0.704 6.650 0.049 1.00 0.00 H new ATOM 0 HG3 MET A 124 0.139 5.697 1.406 1.00 0.00 H new ATOM 0 HE1 MET A 124 -0.749 3.046 -1.093 1.00 0.00 H new ATOM 0 HE2 MET A 124 0.738 3.984 -0.815 1.00 0.00 H new ATOM 0 HE3 MET A 124 -0.247 3.449 0.567 1.00 0.00 H new ATOM 1048 N ILE A 125 -2.814 8.056 -1.316 1.00 0.00 N ATOM 1049 CA ILE A 125 -3.474 7.598 -2.530 1.00 0.00 C ATOM 1050 C ILE A 125 -3.229 8.575 -3.674 1.00 0.00 C ATOM 1051 O ILE A 125 -2.915 8.165 -4.785 1.00 0.00 O ATOM 1052 CB ILE A 125 -4.980 7.472 -2.282 1.00 0.00 C ATOM 1053 CG1 ILE A 125 -5.238 6.344 -1.279 1.00 0.00 C ATOM 1054 CG2 ILE A 125 -5.693 7.149 -3.599 1.00 0.00 C ATOM 1055 CD1 ILE A 125 -6.706 6.368 -0.845 1.00 0.00 C ATOM 0 H ILE A 125 -3.443 8.260 -0.539 1.00 0.00 H new ATOM 0 HA ILE A 125 -3.063 6.626 -2.803 1.00 0.00 H new ATOM 0 HB ILE A 125 -5.360 8.413 -1.883 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -4.997 5.381 -1.730 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -4.590 6.461 -0.411 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -6.765 7.060 -3.420 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -5.510 7.948 -4.317 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -5.312 6.209 -3.998 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -6.888 5.564 -0.131 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -6.932 7.326 -0.378 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -7.345 6.230 -1.717 1.00 0.00 H new ATOM 1067 N ARG A 126 -3.368 9.862 -3.391 1.00 0.00 N ATOM 1068 CA ARG A 126 -3.159 10.884 -4.408 1.00 0.00 C ATOM 1069 C ARG A 126 -1.734 10.825 -4.946 1.00 0.00 C ATOM 1070 O ARG A 126 -1.509 10.976 -6.147 1.00 0.00 O ATOM 1071 CB ARG A 126 -3.422 12.271 -3.817 1.00 0.00 C ATOM 1072 CG ARG A 126 -4.924 12.457 -3.589 1.00 0.00 C ATOM 1073 CD ARG A 126 -5.178 13.818 -2.939 1.00 0.00 C ATOM 1074 NE ARG A 126 -6.605 13.999 -2.689 1.00 0.00 N ATOM 1075 CZ ARG A 126 -7.399 14.564 -3.594 1.00 0.00 C ATOM 1076 NH1 ARG A 126 -7.506 14.041 -4.784 1.00 0.00 N ATOM 1077 NH2 ARG A 126 -8.065 15.644 -3.293 1.00 0.00 N ATOM 0 H ARG A 126 -3.623 10.223 -2.472 1.00 0.00 H new ATOM 0 HA ARG A 126 -3.853 10.698 -5.227 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -2.885 12.384 -2.875 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -3.048 13.041 -4.492 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -5.457 12.390 -4.537 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -5.307 11.661 -2.951 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -4.625 13.891 -2.002 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -4.811 14.613 -3.588 1.00 0.00 H new ATOM 0 HE ARG A 126 -7.001 13.686 -1.803 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -6.981 13.199 -5.020 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -8.115 14.474 -5.478 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -7.977 16.055 -2.364 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -8.674 16.078 -3.987 1.00 0.00 H new ATOM 1091 N GLU A 127 -0.779 10.601 -4.053 1.00 0.00 N ATOM 1092 CA GLU A 127 0.619 10.516 -4.450 1.00 0.00 C ATOM 1093 C GLU A 127 0.885 9.244 -5.242 1.00 0.00 C ATOM 1094 O GLU A 127 1.724 9.223 -6.143 1.00 0.00 O ATOM 1095 CB GLU A 127 1.517 10.548 -3.211 1.00 0.00 C ATOM 1096 CG GLU A 127 1.508 11.953 -2.607 1.00 0.00 C ATOM 1097 CD GLU A 127 2.226 12.928 -3.535 1.00 0.00 C ATOM 1098 OE1 GLU A 127 3.339 12.624 -3.932 1.00 0.00 O ATOM 1099 OE2 GLU A 127 1.651 13.958 -3.841 1.00 0.00 O ATOM 0 H GLU A 127 -0.946 10.476 -3.055 1.00 0.00 H new ATOM 0 HA GLU A 127 0.844 11.372 -5.086 1.00 0.00 H new ATOM 0 HB2 GLU A 127 1.166 9.823 -2.476 1.00 0.00 H new ATOM 0 HB3 GLU A 127 2.534 10.263 -3.479 1.00 0.00 H new ATOM 0 HG2 GLU A 127 0.481 12.281 -2.446 1.00 0.00 H new ATOM 0 HG3 GLU A 127 1.995 11.941 -1.632 1.00 0.00 H new ATOM 1106 N ALA A 128 0.175 8.176 -4.892 1.00 0.00 N ATOM 1107 CA ALA A 128 0.351 6.897 -5.570 1.00 0.00 C ATOM 1108 C ALA A 128 -0.545 6.807 -6.800 1.00 0.00 C ATOM 1109 O ALA A 128 -0.236 6.087 -7.749 1.00 0.00 O ATOM 1110 CB ALA A 128 0.015 5.751 -4.610 1.00 0.00 C ATOM 0 H ALA A 128 -0.523 8.170 -4.148 1.00 0.00 H new ATOM 0 HA ALA A 128 1.390 6.818 -5.889 1.00 0.00 H new ATOM 0 HB1 ALA A 128 0.148 4.797 -5.121 1.00 0.00 H new ATOM 0 HB2 ALA A 128 0.677 5.795 -3.745 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -1.020 5.844 -4.280 1.00 0.00 H new ATOM 1116 N ASP A 129 -1.651 7.544 -6.776 1.00 0.00 N ATOM 1117 CA ASP A 129 -2.588 7.532 -7.896 1.00 0.00 C ATOM 1118 C ASP A 129 -1.978 8.228 -9.107 1.00 0.00 C ATOM 1119 O ASP A 129 -1.831 9.451 -9.128 1.00 0.00 O ATOM 1120 CB ASP A 129 -3.883 8.239 -7.497 1.00 0.00 C ATOM 1121 CG ASP A 129 -4.916 8.087 -8.601 1.00 0.00 C ATOM 1122 OD1 ASP A 129 -4.572 7.542 -9.634 1.00 0.00 O ATOM 1123 OD2 ASP A 129 -6.032 8.535 -8.400 1.00 0.00 O ATOM 0 H ASP A 129 -1.920 8.152 -6.002 1.00 0.00 H new ATOM 0 HA ASP A 129 -2.805 6.496 -8.157 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -4.266 7.818 -6.568 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -3.689 9.295 -7.312 1.00 0.00 H new ATOM 1128 N ILE A 130 -1.609 7.440 -10.111 1.00 0.00 N ATOM 1129 CA ILE A 130 -1.003 7.990 -11.312 1.00 0.00 C ATOM 1130 C ILE A 130 -2.002 8.843 -12.085 1.00 0.00 C ATOM 1131 O ILE A 130 -1.675 9.932 -12.554 1.00 0.00 O ATOM 1132 CB ILE A 130 -0.504 6.852 -12.211 1.00 0.00 C ATOM 1133 CG1 ILE A 130 0.633 6.108 -11.505 1.00 0.00 C ATOM 1134 CG2 ILE A 130 0.018 7.431 -13.532 1.00 0.00 C ATOM 1135 CD1 ILE A 130 0.994 4.849 -12.296 1.00 0.00 C ATOM 0 H ILE A 130 -1.719 6.426 -10.115 1.00 0.00 H new ATOM 0 HA ILE A 130 -0.165 8.619 -11.013 1.00 0.00 H new ATOM 0 HB ILE A 130 -1.326 6.165 -12.413 1.00 0.00 H new ATOM 0 HG12 ILE A 130 1.505 6.756 -11.416 1.00 0.00 H new ATOM 0 HG13 ILE A 130 0.331 5.839 -10.493 1.00 0.00 H new ATOM 0 HG21 ILE A 130 0.372 6.621 -14.170 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -0.786 7.966 -14.038 1.00 0.00 H new ATOM 0 HG23 ILE A 130 0.839 8.118 -13.329 1.00 0.00 H new ATOM 0 HD11 ILE A 130 1.803 4.322 -11.791 1.00 0.00 H new ATOM 0 HD12 ILE A 130 0.122 4.198 -12.362 1.00 0.00 H new ATOM 0 HD13 ILE A 130 1.314 5.129 -13.300 1.00 0.00 H new ATOM 1147 N ASP A 131 -3.222 8.331 -12.227 1.00 0.00 N ATOM 1148 CA ASP A 131 -4.261 9.043 -12.966 1.00 0.00 C ATOM 1149 C ASP A 131 -5.048 9.955 -12.041 1.00 0.00 C ATOM 1150 O ASP A 131 -6.043 10.556 -12.449 1.00 0.00 O ATOM 1151 CB ASP A 131 -5.204 8.041 -13.636 1.00 0.00 C ATOM 1152 CG ASP A 131 -5.764 7.079 -12.597 1.00 0.00 C ATOM 1153 OD1 ASP A 131 -5.992 7.514 -11.482 1.00 0.00 O ATOM 1154 OD2 ASP A 131 -5.967 5.924 -12.932 1.00 0.00 O ATOM 0 H ASP A 131 -3.514 7.432 -11.843 1.00 0.00 H new ATOM 0 HA ASP A 131 -3.783 9.655 -13.731 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -6.019 8.570 -14.130 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -4.670 7.486 -14.407 1.00 0.00 H new ATOM 1159 N GLY A 132 -4.603 10.052 -10.793 1.00 0.00 N ATOM 1160 CA GLY A 132 -5.273 10.912 -9.820 1.00 0.00 C ATOM 1161 C GLY A 132 -6.788 10.788 -9.938 1.00 0.00 C ATOM 1162 O GLY A 132 -7.508 11.780 -9.828 1.00 0.00 O ATOM 0 H GLY A 132 -3.790 9.552 -10.432 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -4.959 10.641 -8.812 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -4.975 11.948 -9.979 1.00 0.00 H new ATOM 1166 N ASP A 133 -7.263 9.571 -10.181 1.00 0.00 N ATOM 1167 CA ASP A 133 -8.695 9.340 -10.330 1.00 0.00 C ATOM 1168 C ASP A 133 -9.366 9.252 -8.964 1.00 0.00 C ATOM 1169 O ASP A 133 -10.589 9.148 -8.867 1.00 0.00 O ATOM 1170 CB ASP A 133 -8.938 8.041 -11.101 1.00 0.00 C ATOM 1171 CG ASP A 133 -8.290 6.871 -10.372 1.00 0.00 C ATOM 1172 OD1 ASP A 133 -7.596 7.117 -9.403 1.00 0.00 O ATOM 1173 OD2 ASP A 133 -8.498 5.746 -10.794 1.00 0.00 O ATOM 0 H ASP A 133 -6.684 8.737 -10.278 1.00 0.00 H new ATOM 0 HA ASP A 133 -9.123 10.176 -10.882 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -10.009 7.866 -11.206 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -8.528 8.124 -12.108 1.00 0.00 H new ATOM 1178 N GLY A 134 -8.559 9.301 -7.910 1.00 0.00 N ATOM 1179 CA GLY A 134 -9.085 9.232 -6.551 1.00 0.00 C ATOM 1180 C GLY A 134 -9.333 7.792 -6.134 1.00 0.00 C ATOM 1181 O GLY A 134 -9.735 7.521 -5.001 1.00 0.00 O ATOM 0 H GLY A 134 -7.544 9.388 -7.969 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -8.381 9.698 -5.861 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -10.015 9.798 -6.488 1.00 0.00 H new ATOM 1185 N GLN A 135 -9.092 6.863 -7.054 1.00 0.00 N ATOM 1186 CA GLN A 135 -9.294 5.442 -6.769 1.00 0.00 C ATOM 1187 C GLN A 135 -8.166 4.613 -7.365 1.00 0.00 C ATOM 1188 O GLN A 135 -7.516 5.025 -8.326 1.00 0.00 O ATOM 1189 CB GLN A 135 -10.631 4.981 -7.348 1.00 0.00 C ATOM 1190 CG GLN A 135 -11.777 5.634 -6.573 1.00 0.00 C ATOM 1191 CD GLN A 135 -13.115 5.244 -7.192 1.00 0.00 C ATOM 1192 OE1 GLN A 135 -13.406 5.615 -8.329 1.00 0.00 O ATOM 1193 NE2 GLN A 135 -13.951 4.511 -6.508 1.00 0.00 N ATOM 0 H GLN A 135 -8.759 7.064 -7.997 1.00 0.00 H new ATOM 0 HA GLN A 135 -9.299 5.303 -5.688 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -10.693 5.248 -8.403 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -10.710 3.896 -7.288 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -11.745 5.322 -5.529 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -11.664 6.718 -6.585 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -13.708 4.205 -5.566 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -14.847 4.245 -6.916 1.00 0.00 H new ATOM 1202 N VAL A 136 -7.934 3.436 -6.791 1.00 0.00 N ATOM 1203 CA VAL A 136 -6.875 2.554 -7.276 1.00 0.00 C ATOM 1204 C VAL A 136 -7.435 1.556 -8.280 1.00 0.00 C ATOM 1205 O VAL A 136 -8.390 0.834 -7.993 1.00 0.00 O ATOM 1206 CB VAL A 136 -6.248 1.799 -6.104 1.00 0.00 C ATOM 1207 CG1 VAL A 136 -5.173 0.845 -6.628 1.00 0.00 C ATOM 1208 CG2 VAL A 136 -5.614 2.800 -5.137 1.00 0.00 C ATOM 0 H VAL A 136 -8.460 3.072 -5.996 1.00 0.00 H new ATOM 0 HA VAL A 136 -6.114 3.162 -7.765 1.00 0.00 H new ATOM 0 HB VAL A 136 -7.018 1.228 -5.585 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -4.726 0.307 -5.792 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -5.624 0.133 -7.319 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -4.402 1.415 -7.147 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -5.166 2.264 -4.300 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -4.844 3.370 -5.657 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -6.380 3.480 -4.764 1.00 0.00 H new ATOM 1218 N ASN A 137 -6.835 1.519 -9.467 1.00 0.00 N ATOM 1219 CA ASN A 137 -7.281 0.603 -10.516 1.00 0.00 C ATOM 1220 C ASN A 137 -6.415 -0.652 -10.533 1.00 0.00 C ATOM 1221 O ASN A 137 -5.348 -0.691 -9.918 1.00 0.00 O ATOM 1222 CB ASN A 137 -7.208 1.293 -11.878 1.00 0.00 C ATOM 1223 CG ASN A 137 -8.218 2.433 -11.939 1.00 0.00 C ATOM 1224 OD1 ASN A 137 -9.135 2.496 -11.121 1.00 0.00 O ATOM 1225 ND2 ASN A 137 -8.105 3.343 -12.867 1.00 0.00 N ATOM 0 H ASN A 137 -6.044 2.108 -9.727 1.00 0.00 H new ATOM 0 HA ASN A 137 -8.312 0.318 -10.309 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -6.202 1.678 -12.047 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -7.411 0.573 -12.671 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -8.777 4.108 -12.915 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -7.344 3.289 -13.544 1.00 0.00 H new ATOM 1232 N TYR A 138 -6.883 -1.680 -11.236 1.00 0.00 N ATOM 1233 CA TYR A 138 -6.142 -2.934 -11.319 1.00 0.00 C ATOM 1234 C TYR A 138 -4.765 -2.701 -11.934 1.00 0.00 C ATOM 1235 O TYR A 138 -3.748 -3.108 -11.374 1.00 0.00 O ATOM 1236 CB TYR A 138 -6.918 -3.938 -12.174 1.00 0.00 C ATOM 1237 CG TYR A 138 -6.117 -5.212 -12.307 1.00 0.00 C ATOM 1238 CD1 TYR A 138 -6.111 -6.144 -11.261 1.00 0.00 C ATOM 1239 CD2 TYR A 138 -5.381 -5.460 -13.471 1.00 0.00 C ATOM 1240 CE1 TYR A 138 -5.369 -7.325 -11.381 1.00 0.00 C ATOM 1241 CE2 TYR A 138 -4.640 -6.642 -13.590 1.00 0.00 C ATOM 1242 CZ TYR A 138 -4.634 -7.574 -12.546 1.00 0.00 C ATOM 1243 OH TYR A 138 -3.902 -8.738 -12.664 1.00 0.00 O ATOM 0 H TYR A 138 -7.763 -1.670 -11.751 1.00 0.00 H new ATOM 0 HA TYR A 138 -6.017 -3.330 -10.311 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -7.885 -4.150 -11.717 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -7.116 -3.516 -13.159 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -6.679 -5.951 -10.363 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -5.385 -4.741 -14.277 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -5.364 -8.044 -10.575 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -4.072 -6.835 -14.488 1.00 0.00 H new ATOM 0 HH TYR A 138 -3.452 -8.755 -13.534 1.00 0.00 H new ATOM 1253 N GLU A 139 -4.738 -2.036 -13.084 1.00 0.00 N ATOM 1254 CA GLU A 139 -3.479 -1.750 -13.762 1.00 0.00 C ATOM 1255 C GLU A 139 -2.553 -0.948 -12.853 1.00 0.00 C ATOM 1256 O GLU A 139 -1.344 -1.175 -12.826 1.00 0.00 O ATOM 1257 CB GLU A 139 -3.745 -0.962 -15.046 1.00 0.00 C ATOM 1258 CG GLU A 139 -4.520 0.314 -14.712 1.00 0.00 C ATOM 1259 CD GLU A 139 -4.933 1.025 -15.996 1.00 0.00 C ATOM 1260 OE1 GLU A 139 -5.327 0.342 -16.926 1.00 0.00 O ATOM 1261 OE2 GLU A 139 -4.851 2.241 -16.029 1.00 0.00 O ATOM 0 H GLU A 139 -5.568 -1.687 -13.564 1.00 0.00 H new ATOM 0 HA GLU A 139 -2.997 -2.696 -14.010 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -2.803 -0.711 -15.533 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -4.313 -1.572 -15.748 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -5.403 0.069 -14.122 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -3.903 0.975 -14.103 1.00 0.00 H new ATOM 1268 N GLU A 140 -3.130 -0.014 -12.106 1.00 0.00 N ATOM 1269 CA GLU A 140 -2.345 0.811 -11.196 1.00 0.00 C ATOM 1270 C GLU A 140 -1.942 0.009 -9.962 1.00 0.00 C ATOM 1271 O GLU A 140 -0.866 0.222 -9.401 1.00 0.00 O ATOM 1272 CB GLU A 140 -3.163 2.044 -10.774 1.00 0.00 C ATOM 1273 CG GLU A 140 -2.840 3.221 -11.701 1.00 0.00 C ATOM 1274 CD GLU A 140 -3.914 4.291 -11.580 1.00 0.00 C ATOM 1275 OE1 GLU A 140 -5.069 3.965 -11.795 1.00 0.00 O ATOM 1276 OE2 GLU A 140 -3.566 5.417 -11.275 1.00 0.00 O ATOM 0 H GLU A 140 -4.129 0.190 -12.112 1.00 0.00 H new ATOM 0 HA GLU A 140 -1.441 1.137 -11.711 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -4.228 1.817 -10.816 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -2.934 2.308 -9.742 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -1.867 3.640 -11.444 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -2.775 2.875 -12.732 1.00 0.00 H new ATOM 1283 N PHE A 141 -2.819 -0.897 -9.537 1.00 0.00 N ATOM 1284 CA PHE A 141 -2.542 -1.711 -8.360 1.00 0.00 C ATOM 1285 C PHE A 141 -1.301 -2.567 -8.596 1.00 0.00 C ATOM 1286 O PHE A 141 -0.383 -2.584 -7.776 1.00 0.00 O ATOM 1287 CB PHE A 141 -3.743 -2.606 -8.057 1.00 0.00 C ATOM 1288 CG PHE A 141 -3.446 -3.451 -6.841 1.00 0.00 C ATOM 1289 CD1 PHE A 141 -3.336 -2.848 -5.582 1.00 0.00 C ATOM 1290 CD2 PHE A 141 -3.281 -4.835 -6.971 1.00 0.00 C ATOM 1291 CE1 PHE A 141 -3.062 -3.630 -4.454 1.00 0.00 C ATOM 1292 CE2 PHE A 141 -3.007 -5.617 -5.844 1.00 0.00 C ATOM 1293 CZ PHE A 141 -2.898 -5.015 -4.584 1.00 0.00 C ATOM 0 H PHE A 141 -3.716 -1.084 -9.985 1.00 0.00 H new ATOM 0 HA PHE A 141 -2.361 -1.055 -7.508 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -4.630 -1.996 -7.882 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -3.959 -3.245 -8.913 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -3.463 -1.780 -5.481 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -3.365 -5.299 -7.942 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -2.977 -3.165 -3.483 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -2.880 -6.685 -5.945 1.00 0.00 H new ATOM 0 HZ PHE A 141 -2.688 -5.618 -3.713 1.00 0.00 H new ATOM 1303 N VAL A 142 -1.286 -3.285 -9.714 1.00 0.00 N ATOM 1304 CA VAL A 142 -0.160 -4.153 -10.034 1.00 0.00 C ATOM 1305 C VAL A 142 1.123 -3.333 -10.112 1.00 0.00 C ATOM 1306 O VAL A 142 2.155 -3.727 -9.567 1.00 0.00 O ATOM 1307 CB VAL A 142 -0.402 -4.845 -11.380 1.00 0.00 C ATOM 1308 CG1 VAL A 142 0.844 -5.638 -11.781 1.00 0.00 C ATOM 1309 CG2 VAL A 142 -1.594 -5.797 -11.255 1.00 0.00 C ATOM 0 H VAL A 142 -2.034 -3.283 -10.408 1.00 0.00 H new ATOM 0 HA VAL A 142 -0.062 -4.905 -9.251 1.00 0.00 H new ATOM 0 HB VAL A 142 -0.613 -4.094 -12.141 1.00 0.00 H new ATOM 0 HG11 VAL A 142 0.670 -6.129 -12.738 1.00 0.00 H new ATOM 0 HG12 VAL A 142 1.693 -4.961 -11.870 1.00 0.00 H new ATOM 0 HG13 VAL A 142 1.057 -6.390 -11.021 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -1.768 -6.290 -12.211 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -1.382 -6.547 -10.493 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -2.482 -5.233 -10.971 1.00 0.00 H new ATOM 1319 N GLN A 143 1.053 -2.192 -10.787 1.00 0.00 N ATOM 1320 CA GLN A 143 2.218 -1.324 -10.922 1.00 0.00 C ATOM 1321 C GLN A 143 2.649 -0.780 -9.563 1.00 0.00 C ATOM 1322 O GLN A 143 3.830 -0.809 -9.218 1.00 0.00 O ATOM 1323 CB GLN A 143 1.894 -0.158 -11.858 1.00 0.00 C ATOM 1324 CG GLN A 143 1.726 -0.680 -13.285 1.00 0.00 C ATOM 1325 CD GLN A 143 1.338 0.464 -14.217 1.00 0.00 C ATOM 1326 OE1 GLN A 143 1.251 1.614 -13.786 1.00 0.00 O ATOM 1327 NE2 GLN A 143 1.102 0.215 -15.476 1.00 0.00 N ATOM 0 H GLN A 143 0.210 -1.848 -11.246 1.00 0.00 H new ATOM 0 HA GLN A 143 3.035 -1.912 -11.339 1.00 0.00 H new ATOM 0 HB2 GLN A 143 0.981 0.341 -11.532 1.00 0.00 H new ATOM 0 HB3 GLN A 143 2.692 0.583 -11.822 1.00 0.00 H new ATOM 0 HG2 GLN A 143 2.655 -1.138 -13.625 1.00 0.00 H new ATOM 0 HG3 GLN A 143 0.960 -1.456 -13.310 1.00 0.00 H new ATOM 0 HE21 GLN A 143 1.175 -0.739 -15.830 1.00 0.00 H new ATOM 0 HE22 GLN A 143 0.845 0.974 -16.107 1.00 0.00 H new ATOM 1336 N MET A 144 1.685 -0.293 -8.793 1.00 0.00 N ATOM 1337 CA MET A 144 1.973 0.249 -7.474 1.00 0.00 C ATOM 1338 C MET A 144 2.534 -0.837 -6.558 1.00 0.00 C ATOM 1339 O MET A 144 3.374 -0.565 -5.701 1.00 0.00 O ATOM 1340 CB MET A 144 0.697 0.827 -6.854 1.00 0.00 C ATOM 1341 CG MET A 144 1.027 1.456 -5.495 1.00 0.00 C ATOM 1342 SD MET A 144 -0.479 2.152 -4.773 1.00 0.00 S ATOM 1343 CE MET A 144 -1.274 0.582 -4.343 1.00 0.00 C ATOM 0 H MET A 144 0.701 -0.263 -9.059 1.00 0.00 H new ATOM 0 HA MET A 144 2.716 1.039 -7.583 1.00 0.00 H new ATOM 0 HB2 MET A 144 0.265 1.576 -7.518 1.00 0.00 H new ATOM 0 HB3 MET A 144 -0.048 0.041 -6.731 1.00 0.00 H new ATOM 0 HG2 MET A 144 1.450 0.705 -4.828 1.00 0.00 H new ATOM 0 HG3 MET A 144 1.779 2.235 -5.616 1.00 0.00 H new ATOM 0 HE1 MET A 144 -1.651 0.633 -3.322 1.00 0.00 H new ATOM 0 HE2 MET A 144 -2.102 0.394 -5.027 1.00 0.00 H new ATOM 0 HE3 MET A 144 -0.548 -0.227 -4.422 1.00 0.00 H new ATOM 1353 N MET A 145 2.061 -2.063 -6.746 1.00 0.00 N ATOM 1354 CA MET A 145 2.526 -3.183 -5.938 1.00 0.00 C ATOM 1355 C MET A 145 3.912 -3.634 -6.380 1.00 0.00 C ATOM 1356 O MET A 145 4.749 -4.009 -5.559 1.00 0.00 O ATOM 1357 CB MET A 145 1.541 -4.348 -6.049 1.00 0.00 C ATOM 1358 CG MET A 145 0.298 -4.046 -5.211 1.00 0.00 C ATOM 1359 SD MET A 145 0.723 -4.058 -3.450 1.00 0.00 S ATOM 1360 CE MET A 145 0.542 -5.838 -3.185 1.00 0.00 C ATOM 0 H MET A 145 1.360 -2.306 -7.446 1.00 0.00 H new ATOM 0 HA MET A 145 2.586 -2.856 -4.900 1.00 0.00 H new ATOM 0 HB2 MET A 145 1.261 -4.504 -7.091 1.00 0.00 H new ATOM 0 HB3 MET A 145 2.010 -5.269 -5.704 1.00 0.00 H new ATOM 0 HG2 MET A 145 -0.111 -3.075 -5.489 1.00 0.00 H new ATOM 0 HG3 MET A 145 -0.476 -4.787 -5.412 1.00 0.00 H new ATOM 0 HE1 MET A 145 1.247 -6.166 -2.421 1.00 0.00 H new ATOM 0 HE2 MET A 145 -0.475 -6.056 -2.858 1.00 0.00 H new ATOM 0 HE3 MET A 145 0.744 -6.367 -4.116 1.00 0.00 H new ATOM 1370 N THR A 146 4.145 -3.614 -7.690 1.00 0.00 N ATOM 1371 CA THR A 146 5.430 -4.040 -8.240 1.00 0.00 C ATOM 1372 C THR A 146 6.278 -2.832 -8.621 1.00 0.00 C ATOM 1373 O THR A 146 7.271 -2.962 -9.335 1.00 0.00 O ATOM 1374 CB THR A 146 5.204 -4.927 -9.473 1.00 0.00 C ATOM 1375 OG1 THR A 146 4.022 -5.696 -9.290 1.00 0.00 O ATOM 1376 CG2 THR A 146 6.401 -5.864 -9.659 1.00 0.00 C ATOM 0 H THR A 146 3.466 -3.309 -8.387 1.00 0.00 H new ATOM 0 HA THR A 146 5.960 -4.611 -7.478 1.00 0.00 H new ATOM 0 HB THR A 146 5.098 -4.299 -10.358 1.00 0.00 H new ATOM 0 HG1 THR A 146 3.237 -5.126 -9.424 1.00 0.00 H new ATOM 0 HG21 THR A 146 6.238 -6.493 -10.535 1.00 0.00 H new ATOM 0 HG22 THR A 146 7.307 -5.274 -9.799 1.00 0.00 H new ATOM 0 HG23 THR A 146 6.511 -6.493 -8.776 1.00 0.00 H new ATOM 1384 N ALA A 147 5.871 -1.661 -8.150 1.00 0.00 N ATOM 1385 CA ALA A 147 6.597 -0.435 -8.462 1.00 0.00 C ATOM 1386 C ALA A 147 8.055 -0.558 -8.033 1.00 0.00 C ATOM 1387 O ALA A 147 8.359 -1.102 -6.972 1.00 0.00 O ATOM 1388 CB ALA A 147 5.953 0.748 -7.736 1.00 0.00 C ATOM 0 H ALA A 147 5.051 -1.533 -7.557 1.00 0.00 H new ATOM 0 HA ALA A 147 6.555 -0.271 -9.539 1.00 0.00 H new ATOM 0 HB1 ALA A 147 6.499 1.661 -7.973 1.00 0.00 H new ATOM 0 HB2 ALA A 147 4.917 0.852 -8.057 1.00 0.00 H new ATOM 0 HB3 ALA A 147 5.984 0.575 -6.660 1.00 0.00 H new ATOM 1394 N LYS A 148 8.956 -0.057 -8.874 1.00 0.00 N ATOM 1395 CA LYS A 148 10.384 -0.123 -8.579 1.00 0.00 C ATOM 1396 C LYS A 148 10.791 1.006 -7.640 1.00 0.00 C ATOM 1397 O LYS A 148 11.618 0.760 -6.778 1.00 0.00 O ATOM 1398 CB LYS A 148 11.189 -0.030 -9.878 1.00 0.00 C ATOM 1399 CG LYS A 148 12.670 -0.261 -9.577 1.00 0.00 C ATOM 1400 CD LYS A 148 13.454 -0.327 -10.889 1.00 0.00 C ATOM 1401 CE LYS A 148 14.932 -0.587 -10.589 1.00 0.00 C ATOM 1402 NZ LYS A 148 15.495 0.571 -9.841 1.00 0.00 N ATOM 1403 OXT LYS A 148 10.270 2.096 -7.797 1.00 0.00 O ATOM 0 H LYS A 148 8.725 0.396 -9.758 1.00 0.00 H new ATOM 0 HA LYS A 148 10.592 -1.075 -8.091 1.00 0.00 H new ATOM 0 HB2 LYS A 148 10.832 -0.771 -10.593 1.00 0.00 H new ATOM 0 HB3 LYS A 148 11.048 0.949 -10.336 1.00 0.00 H new ATOM 0 HG2 LYS A 148 13.055 0.545 -8.951 1.00 0.00 H new ATOM 0 HG3 LYS A 148 12.798 -1.188 -9.018 1.00 0.00 H new ATOM 0 HD2 LYS A 148 13.056 -1.119 -11.523 1.00 0.00 H new ATOM 0 HD3 LYS A 148 13.343 0.608 -11.439 1.00 0.00 H new ATOM 0 HE2 LYS A 148 15.041 -1.500 -10.004 1.00 0.00 H new ATOM 0 HE3 LYS A 148 15.482 -0.737 -11.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 16.532 0.560 -9.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 15.129 1.457 -10.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 15.217 0.506 -8.841 1.00 0.00 H new TER 1417 LYS A 148 HETATM 1418 CA CA A 149 -12.903 -2.859 -2.906 1.00 0.00 CA HETATM 1419 CA CA A 150 -5.851 5.660 -10.133 1.00 0.00 CA