USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=19 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 -105:sc= -0.023 (180deg=-2.11!) USER MOD Set 1.2: A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=-0.09) USER MOD Single : A 61 HIS : no HD1:sc= -2.94! C(o=-2.9!,f=-4!) USER MOD Single : A 62 HIS : no HD1:sc=-0.000532 X(o=-0.00053,f=-0.37) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 SER OG : rot -60:sc= 0.977 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.378 X(o=-0.38,f=-0.013) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.182 K(o=-0.18,f=-2.9!) USER MOD Single : A 74 SER OG : rot -67:sc= -0.128 USER MOD Single : A 76 MET CE :methyl -168:sc= 0 (180deg=-0.202) USER MOD Single : A 77 LYS NZ :NH3+ -165:sc= -0.344! (180deg=-0.77!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 170:sc= -0.0359 USER MOD Single : A 94 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.182) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS : no HD1:sc= -0.0549 X(o=-0.055,f=-0.069) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -0.0289 X(o=-0.029,f=-0.039) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot -162:sc= -1.36! USER MOD Single : A 135 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 137 ASN : amide:sc= -5.12! C(o=-5.1!,f=-21!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= -0.283 X(o=-0.28,f=-0.11) USER MOD Single : A 144 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 145 MET CE :methyl 173:sc= -0.368 (180deg=-0.439) USER MOD Single : A 146 THR OG1 : rot 75:sc= 0.863 USER MOD Single : A 148 LYS NZ :NH3+ -163:sc= -0.0216 (180deg=-0.314) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 56 24.596 -16.534 6.407 1.00 0.00 N ATOM 2 CA GLY A 56 24.587 -15.088 6.769 1.00 0.00 C ATOM 3 C GLY A 56 23.946 -14.285 5.642 1.00 0.00 C ATOM 4 O GLY A 56 24.401 -13.191 5.311 1.00 0.00 O ATOM 0 HA2 GLY A 56 24.034 -14.938 7.697 1.00 0.00 H new ATOM 0 HA3 GLY A 56 25.605 -14.740 6.944 1.00 0.00 H new ATOM 8 N SER A 57 22.889 -14.837 5.056 1.00 0.00 N ATOM 9 CA SER A 57 22.190 -14.164 3.965 1.00 0.00 C ATOM 10 C SER A 57 21.216 -13.128 4.513 1.00 0.00 C ATOM 11 O SER A 57 20.589 -12.389 3.752 1.00 0.00 O ATOM 12 CB SER A 57 21.430 -15.188 3.121 1.00 0.00 C ATOM 13 OG SER A 57 22.356 -16.090 2.531 1.00 0.00 O ATOM 0 H SER A 57 22.499 -15.743 5.315 1.00 0.00 H new ATOM 0 HA SER A 57 22.928 -13.658 3.342 1.00 0.00 H new ATOM 0 HB2 SER A 57 20.719 -15.733 3.742 1.00 0.00 H new ATOM 0 HB3 SER A 57 20.854 -14.682 2.346 1.00 0.00 H new ATOM 0 HG SER A 57 21.872 -16.749 1.991 1.00 0.00 H new ATOM 19 N HIS A 58 21.093 -13.077 5.835 1.00 0.00 N ATOM 20 CA HIS A 58 20.189 -12.127 6.473 1.00 0.00 C ATOM 21 C HIS A 58 20.709 -10.706 6.300 1.00 0.00 C ATOM 22 O HIS A 58 21.905 -10.456 6.432 1.00 0.00 O ATOM 23 CB HIS A 58 20.062 -12.444 7.963 1.00 0.00 C ATOM 24 CG HIS A 58 19.395 -13.780 8.134 1.00 0.00 C ATOM 25 ND1 HIS A 58 20.115 -14.961 8.220 1.00 0.00 N ATOM 26 CD2 HIS A 58 18.074 -14.137 8.237 1.00 0.00 C ATOM 27 CE1 HIS A 58 19.232 -15.965 8.367 1.00 0.00 C ATOM 28 NE2 HIS A 58 17.973 -15.518 8.383 1.00 0.00 N ATOM 0 H HIS A 58 21.604 -13.678 6.482 1.00 0.00 H new ATOM 0 HA HIS A 58 19.210 -12.210 6.001 1.00 0.00 H new ATOM 0 HB2 HIS A 58 21.047 -12.455 8.429 1.00 0.00 H new ATOM 0 HB3 HIS A 58 19.481 -11.669 8.463 1.00 0.00 H new ATOM 0 HD2 HIS A 58 17.240 -13.451 8.209 1.00 0.00 H new ATOM 0 HE1 HIS A 58 19.507 -17.005 8.461 1.00 0.00 H new ATOM 0 HE2 HIS A 58 17.121 -16.070 8.481 1.00 0.00 H new ATOM 36 N HIS A 59 19.801 -9.777 6.003 1.00 0.00 N ATOM 37 CA HIS A 59 20.173 -8.373 5.808 1.00 0.00 C ATOM 38 C HIS A 59 19.573 -7.508 6.910 1.00 0.00 C ATOM 39 O HIS A 59 19.349 -7.976 8.027 1.00 0.00 O ATOM 40 CB HIS A 59 19.676 -7.889 4.446 1.00 0.00 C ATOM 41 CG HIS A 59 20.219 -8.785 3.367 1.00 0.00 C ATOM 42 ND1 HIS A 59 21.561 -8.792 3.017 1.00 0.00 N ATOM 43 CD2 HIS A 59 19.614 -9.707 2.550 1.00 0.00 C ATOM 44 CE1 HIS A 59 21.718 -9.692 2.028 1.00 0.00 C ATOM 45 NE2 HIS A 59 20.562 -10.279 1.706 1.00 0.00 N ATOM 0 H HIS A 59 18.805 -9.969 5.892 1.00 0.00 H new ATOM 0 HA HIS A 59 21.259 -8.291 5.847 1.00 0.00 H new ATOM 0 HB2 HIS A 59 18.586 -7.893 4.422 1.00 0.00 H new ATOM 0 HB3 HIS A 59 19.995 -6.861 4.275 1.00 0.00 H new ATOM 0 HD2 HIS A 59 18.562 -9.952 2.560 1.00 0.00 H new ATOM 0 HE1 HIS A 59 22.663 -9.912 1.553 1.00 0.00 H new ATOM 0 HE2 HIS A 59 20.407 -10.993 0.994 1.00 0.00 H new ATOM 53 N HIS A 60 19.320 -6.244 6.591 1.00 0.00 N ATOM 54 CA HIS A 60 18.752 -5.316 7.560 1.00 0.00 C ATOM 55 C HIS A 60 19.458 -5.450 8.907 1.00 0.00 C ATOM 56 O HIS A 60 18.818 -5.452 9.957 1.00 0.00 O ATOM 57 CB HIS A 60 17.260 -5.599 7.736 1.00 0.00 C ATOM 58 CG HIS A 60 16.529 -5.246 6.471 1.00 0.00 C ATOM 59 ND1 HIS A 60 16.400 -6.137 5.417 1.00 0.00 N ATOM 60 CD2 HIS A 60 15.883 -4.101 6.074 1.00 0.00 C ATOM 61 CE1 HIS A 60 15.701 -5.520 4.447 1.00 0.00 C ATOM 62 NE2 HIS A 60 15.361 -4.276 4.796 1.00 0.00 N ATOM 0 H HIS A 60 19.499 -5.840 5.672 1.00 0.00 H new ATOM 0 HA HIS A 60 18.890 -4.300 7.189 1.00 0.00 H new ATOM 0 HB2 HIS A 60 17.105 -6.651 7.977 1.00 0.00 H new ATOM 0 HB3 HIS A 60 16.865 -5.019 8.570 1.00 0.00 H new ATOM 0 HD2 HIS A 60 15.794 -3.201 6.664 1.00 0.00 H new ATOM 0 HE1 HIS A 60 15.446 -5.975 3.501 1.00 0.00 H new ATOM 0 HE2 HIS A 60 14.833 -3.600 4.244 1.00 0.00 H new ATOM 70 N HIS A 61 20.783 -5.562 8.865 1.00 0.00 N ATOM 71 CA HIS A 61 21.567 -5.697 10.086 1.00 0.00 C ATOM 72 C HIS A 61 21.497 -4.417 10.912 1.00 0.00 C ATOM 73 O HIS A 61 21.357 -4.462 12.134 1.00 0.00 O ATOM 74 CB HIS A 61 23.025 -6.001 9.741 1.00 0.00 C ATOM 75 CG HIS A 61 23.114 -7.359 9.101 1.00 0.00 C ATOM 76 ND1 HIS A 61 23.899 -7.600 7.985 1.00 0.00 N ATOM 77 CD2 HIS A 61 22.520 -8.559 9.409 1.00 0.00 C ATOM 78 CE1 HIS A 61 23.759 -8.898 7.663 1.00 0.00 C ATOM 79 NE2 HIS A 61 22.929 -9.530 8.498 1.00 0.00 N ATOM 0 H HIS A 61 21.332 -5.562 8.005 1.00 0.00 H new ATOM 0 HA HIS A 61 21.153 -6.518 10.671 1.00 0.00 H new ATOM 0 HB2 HIS A 61 23.416 -5.241 9.064 1.00 0.00 H new ATOM 0 HB3 HIS A 61 23.637 -5.971 10.642 1.00 0.00 H new ATOM 0 HD2 HIS A 61 21.840 -8.724 10.232 1.00 0.00 H new ATOM 0 HE1 HIS A 61 24.257 -9.372 6.830 1.00 0.00 H new ATOM 0 HE2 HIS A 61 22.654 -10.512 8.474 1.00 0.00 H new ATOM 87 N HIS A 62 21.594 -3.274 10.236 1.00 0.00 N ATOM 88 CA HIS A 62 21.541 -1.983 10.916 1.00 0.00 C ATOM 89 C HIS A 62 20.101 -1.499 11.026 1.00 0.00 C ATOM 90 O HIS A 62 19.391 -1.406 10.025 1.00 0.00 O ATOM 91 CB HIS A 62 22.371 -0.954 10.148 1.00 0.00 C ATOM 92 CG HIS A 62 22.377 0.347 10.903 1.00 0.00 C ATOM 93 ND1 HIS A 62 21.464 1.357 10.643 1.00 0.00 N ATOM 94 CD2 HIS A 62 23.179 0.818 11.913 1.00 0.00 C ATOM 95 CE1 HIS A 62 21.735 2.375 11.480 1.00 0.00 C ATOM 96 NE2 HIS A 62 22.772 2.098 12.276 1.00 0.00 N ATOM 0 H HIS A 62 21.709 -3.216 9.224 1.00 0.00 H new ATOM 0 HA HIS A 62 21.951 -2.102 11.919 1.00 0.00 H new ATOM 0 HB2 HIS A 62 23.391 -1.317 10.018 1.00 0.00 H new ATOM 0 HB3 HIS A 62 21.956 -0.807 9.151 1.00 0.00 H new ATOM 0 HD2 HIS A 62 24.001 0.277 12.358 1.00 0.00 H new ATOM 0 HE1 HIS A 62 21.182 3.302 11.505 1.00 0.00 H new ATOM 0 HE2 HIS A 62 23.178 2.696 12.995 1.00 0.00 H new ATOM 104 N HIS A 63 19.675 -1.189 12.247 1.00 0.00 N ATOM 105 CA HIS A 63 18.313 -0.712 12.478 1.00 0.00 C ATOM 106 C HIS A 63 18.268 0.810 12.420 1.00 0.00 C ATOM 107 O HIS A 63 18.796 1.491 13.300 1.00 0.00 O ATOM 108 CB HIS A 63 17.821 -1.187 13.845 1.00 0.00 C ATOM 109 CG HIS A 63 17.619 -2.677 13.816 1.00 0.00 C ATOM 110 ND1 HIS A 63 16.443 -3.254 13.364 1.00 0.00 N ATOM 111 CD2 HIS A 63 18.433 -3.722 14.176 1.00 0.00 C ATOM 112 CE1 HIS A 63 16.580 -4.589 13.464 1.00 0.00 C ATOM 113 NE2 HIS A 63 17.776 -4.928 13.953 1.00 0.00 N ATOM 0 H HIS A 63 20.248 -1.258 13.088 1.00 0.00 H new ATOM 0 HA HIS A 63 17.666 -1.115 11.699 1.00 0.00 H new ATOM 0 HB2 HIS A 63 18.545 -0.923 14.616 1.00 0.00 H new ATOM 0 HB3 HIS A 63 16.886 -0.688 14.101 1.00 0.00 H new ATOM 0 HD2 HIS A 63 19.433 -3.623 14.573 1.00 0.00 H new ATOM 0 HE1 HIS A 63 15.816 -5.299 13.183 1.00 0.00 H new ATOM 0 HE2 HIS A 63 18.131 -5.868 14.126 1.00 0.00 H new ATOM 121 N GLY A 64 17.632 1.339 11.380 1.00 0.00 N ATOM 122 CA GLY A 64 17.518 2.784 11.212 1.00 0.00 C ATOM 123 C GLY A 64 16.323 3.325 11.988 1.00 0.00 C ATOM 124 O GLY A 64 16.335 3.356 13.218 1.00 0.00 O ATOM 0 H GLY A 64 17.189 0.791 10.643 1.00 0.00 H new ATOM 0 HA2 GLY A 64 18.431 3.268 11.557 1.00 0.00 H new ATOM 0 HA3 GLY A 64 17.410 3.025 10.154 1.00 0.00 H new ATOM 128 N SER A 65 15.296 3.751 11.259 1.00 0.00 N ATOM 129 CA SER A 65 14.095 4.289 11.889 1.00 0.00 C ATOM 130 C SER A 65 14.449 5.453 12.808 1.00 0.00 C ATOM 131 O SER A 65 14.140 5.436 13.998 1.00 0.00 O ATOM 132 CB SER A 65 13.388 3.194 12.691 1.00 0.00 C ATOM 133 OG SER A 65 12.502 3.793 13.628 1.00 0.00 O ATOM 0 H SER A 65 15.271 3.735 10.239 1.00 0.00 H new ATOM 0 HA SER A 65 13.427 4.650 11.107 1.00 0.00 H new ATOM 0 HB2 SER A 65 12.835 2.536 12.020 1.00 0.00 H new ATOM 0 HB3 SER A 65 14.121 2.577 13.210 1.00 0.00 H new ATOM 0 HG SER A 65 13.011 4.362 14.242 1.00 0.00 H new ATOM 139 N SER A 66 15.103 6.465 12.249 1.00 0.00 N ATOM 140 CA SER A 66 15.498 7.636 13.028 1.00 0.00 C ATOM 141 C SER A 66 14.384 8.676 13.028 1.00 0.00 C ATOM 142 O SER A 66 14.540 9.763 13.582 1.00 0.00 O ATOM 143 CB SER A 66 16.772 8.245 12.449 1.00 0.00 C ATOM 144 OG SER A 66 17.851 7.340 12.637 1.00 0.00 O ATOM 0 H SER A 66 15.370 6.500 11.265 1.00 0.00 H new ATOM 0 HA SER A 66 15.685 7.321 14.055 1.00 0.00 H new ATOM 0 HB2 SER A 66 16.639 8.455 11.388 1.00 0.00 H new ATOM 0 HB3 SER A 66 16.989 9.195 12.937 1.00 0.00 H new ATOM 0 HG SER A 66 18.671 7.727 12.265 1.00 0.00 H new ATOM 150 N GLY A 67 13.261 8.338 12.400 1.00 0.00 N ATOM 151 CA GLY A 67 12.125 9.255 12.330 1.00 0.00 C ATOM 152 C GLY A 67 12.212 10.137 11.091 1.00 0.00 C ATOM 153 O GLY A 67 11.564 11.181 11.014 1.00 0.00 O ATOM 0 H GLY A 67 13.113 7.442 11.935 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.195 8.687 12.312 1.00 0.00 H new ATOM 0 HA3 GLY A 67 12.100 9.878 13.224 1.00 0.00 H new ATOM 157 N GLU A 68 13.012 9.710 10.121 1.00 0.00 N ATOM 158 CA GLU A 68 13.172 10.469 8.886 1.00 0.00 C ATOM 159 C GLU A 68 11.914 10.372 8.030 1.00 0.00 C ATOM 160 O GLU A 68 11.168 9.398 8.113 1.00 0.00 O ATOM 161 CB GLU A 68 14.371 9.935 8.097 1.00 0.00 C ATOM 162 CG GLU A 68 15.662 10.211 8.871 1.00 0.00 C ATOM 163 CD GLU A 68 15.918 11.713 8.944 1.00 0.00 C ATOM 164 OE1 GLU A 68 15.364 12.428 8.126 1.00 0.00 O ATOM 165 OE2 GLU A 68 16.666 12.125 9.816 1.00 0.00 O ATOM 0 H GLU A 68 13.557 8.849 10.164 1.00 0.00 H new ATOM 0 HA GLU A 68 13.342 11.514 9.144 1.00 0.00 H new ATOM 0 HB2 GLU A 68 14.259 8.864 7.927 1.00 0.00 H new ATOM 0 HB3 GLU A 68 14.414 10.410 7.117 1.00 0.00 H new ATOM 0 HG2 GLU A 68 15.588 9.798 9.877 1.00 0.00 H new ATOM 0 HG3 GLU A 68 16.501 9.714 8.383 1.00 0.00 H new ATOM 172 N ASN A 69 11.687 11.392 7.210 1.00 0.00 N ATOM 173 CA ASN A 69 10.517 11.417 6.339 1.00 0.00 C ATOM 174 C ASN A 69 10.573 10.274 5.332 1.00 0.00 C ATOM 175 O ASN A 69 9.544 9.727 4.938 1.00 0.00 O ATOM 176 CB ASN A 69 10.439 12.755 5.602 1.00 0.00 C ATOM 177 CG ASN A 69 10.454 13.904 6.605 1.00 0.00 C ATOM 178 OD1 ASN A 69 11.097 14.926 6.366 1.00 0.00 O ATOM 179 ND2 ASN A 69 9.782 13.797 7.718 1.00 0.00 N ATOM 0 H ASN A 69 12.294 12.208 7.130 1.00 0.00 H new ATOM 0 HA ASN A 69 9.626 11.295 6.956 1.00 0.00 H new ATOM 0 HB2 ASN A 69 11.279 12.850 4.914 1.00 0.00 H new ATOM 0 HB3 ASN A 69 9.530 12.797 5.002 1.00 0.00 H new ATOM 0 HD21 ASN A 69 9.788 14.562 8.393 1.00 0.00 H new ATOM 0 HD22 ASN A 69 9.250 12.949 7.913 1.00 0.00 H new ATOM 186 N LEU A 70 11.783 9.923 4.915 1.00 0.00 N ATOM 187 CA LEU A 70 11.967 8.848 3.946 1.00 0.00 C ATOM 188 C LEU A 70 11.402 7.540 4.490 1.00 0.00 C ATOM 189 O LEU A 70 11.147 6.603 3.735 1.00 0.00 O ATOM 190 CB LEU A 70 13.461 8.675 3.633 1.00 0.00 C ATOM 191 CG LEU A 70 13.904 9.743 2.631 1.00 0.00 C ATOM 192 CD1 LEU A 70 13.639 11.133 3.212 1.00 0.00 C ATOM 193 CD2 LEU A 70 15.399 9.583 2.347 1.00 0.00 C ATOM 0 H LEU A 70 12.647 10.364 5.230 1.00 0.00 H new ATOM 0 HA LEU A 70 11.434 9.109 3.032 1.00 0.00 H new ATOM 0 HB2 LEU A 70 14.046 8.757 4.549 1.00 0.00 H new ATOM 0 HB3 LEU A 70 13.644 7.681 3.225 1.00 0.00 H new ATOM 0 HG LEU A 70 13.343 9.627 1.704 1.00 0.00 H new ATOM 0 HD11 LEU A 70 13.955 11.893 2.497 1.00 0.00 H new ATOM 0 HD12 LEU A 70 12.574 11.246 3.414 1.00 0.00 H new ATOM 0 HD13 LEU A 70 14.199 11.252 4.140 1.00 0.00 H new ATOM 0 HD21 LEU A 70 15.717 10.343 1.633 1.00 0.00 H new ATOM 0 HD22 LEU A 70 15.960 9.699 3.274 1.00 0.00 H new ATOM 0 HD23 LEU A 70 15.586 8.593 1.931 1.00 0.00 H new ATOM 205 N TYR A 71 11.210 7.485 5.801 1.00 0.00 N ATOM 206 CA TYR A 71 10.676 6.285 6.432 1.00 0.00 C ATOM 207 C TYR A 71 9.306 5.942 5.852 1.00 0.00 C ATOM 208 O TYR A 71 9.038 4.791 5.513 1.00 0.00 O ATOM 209 CB TYR A 71 10.550 6.503 7.942 1.00 0.00 C ATOM 210 CG TYR A 71 9.909 5.291 8.576 1.00 0.00 C ATOM 211 CD1 TYR A 71 10.663 4.130 8.787 1.00 0.00 C ATOM 212 CD2 TYR A 71 8.560 5.326 8.950 1.00 0.00 C ATOM 213 CE1 TYR A 71 10.069 3.006 9.372 1.00 0.00 C ATOM 214 CE2 TYR A 71 7.966 4.202 9.535 1.00 0.00 C ATOM 215 CZ TYR A 71 8.720 3.042 9.746 1.00 0.00 C ATOM 216 OH TYR A 71 8.135 1.934 10.323 1.00 0.00 O ATOM 0 H TYR A 71 11.414 8.250 6.444 1.00 0.00 H new ATOM 0 HA TYR A 71 11.360 5.458 6.239 1.00 0.00 H new ATOM 0 HB2 TYR A 71 11.534 6.677 8.378 1.00 0.00 H new ATOM 0 HB3 TYR A 71 9.951 7.391 8.143 1.00 0.00 H new ATOM 0 HD1 TYR A 71 11.703 4.102 8.498 1.00 0.00 H new ATOM 0 HD2 TYR A 71 7.978 6.221 8.787 1.00 0.00 H new ATOM 0 HE1 TYR A 71 10.651 2.111 9.535 1.00 0.00 H new ATOM 0 HE2 TYR A 71 6.926 4.230 9.824 1.00 0.00 H new ATOM 0 HH TYR A 71 7.195 2.127 10.523 1.00 0.00 H new ATOM 226 N PHE A 72 8.445 6.945 5.743 1.00 0.00 N ATOM 227 CA PHE A 72 7.107 6.733 5.203 1.00 0.00 C ATOM 228 C PHE A 72 7.182 6.284 3.747 1.00 0.00 C ATOM 229 O PHE A 72 6.417 5.424 3.312 1.00 0.00 O ATOM 230 CB PHE A 72 6.296 8.026 5.297 1.00 0.00 C ATOM 231 CG PHE A 72 6.069 8.373 6.749 1.00 0.00 C ATOM 232 CD1 PHE A 72 5.005 7.793 7.450 1.00 0.00 C ATOM 233 CD2 PHE A 72 6.923 9.275 7.394 1.00 0.00 C ATOM 234 CE1 PHE A 72 4.796 8.115 8.796 1.00 0.00 C ATOM 235 CE2 PHE A 72 6.715 9.597 8.740 1.00 0.00 C ATOM 236 CZ PHE A 72 5.651 9.017 9.442 1.00 0.00 C ATOM 0 H PHE A 72 8.646 7.906 6.019 1.00 0.00 H new ATOM 0 HA PHE A 72 6.619 5.953 5.788 1.00 0.00 H new ATOM 0 HB2 PHE A 72 6.825 8.837 4.797 1.00 0.00 H new ATOM 0 HB3 PHE A 72 5.340 7.906 4.787 1.00 0.00 H new ATOM 0 HD1 PHE A 72 4.346 7.097 6.952 1.00 0.00 H new ATOM 0 HD2 PHE A 72 7.743 9.723 6.853 1.00 0.00 H new ATOM 0 HE1 PHE A 72 3.975 7.668 9.337 1.00 0.00 H new ATOM 0 HE2 PHE A 72 7.375 10.293 9.237 1.00 0.00 H new ATOM 0 HZ PHE A 72 5.490 9.265 10.481 1.00 0.00 H new ATOM 246 N GLN A 73 8.107 6.873 2.998 1.00 0.00 N ATOM 247 CA GLN A 73 8.272 6.530 1.590 1.00 0.00 C ATOM 248 C GLN A 73 8.697 5.072 1.440 1.00 0.00 C ATOM 249 O GLN A 73 8.455 4.449 0.405 1.00 0.00 O ATOM 250 CB GLN A 73 9.323 7.439 0.949 1.00 0.00 C ATOM 251 CG GLN A 73 8.795 8.874 0.899 1.00 0.00 C ATOM 252 CD GLN A 73 9.864 9.803 0.338 1.00 0.00 C ATOM 253 OE1 GLN A 73 11.037 9.692 0.698 1.00 0.00 O ATOM 254 NE2 GLN A 73 9.530 10.722 -0.527 1.00 0.00 N ATOM 0 H GLN A 73 8.751 7.586 3.339 1.00 0.00 H new ATOM 0 HA GLN A 73 7.315 6.672 1.087 1.00 0.00 H new ATOM 0 HB2 GLN A 73 10.250 7.401 1.522 1.00 0.00 H new ATOM 0 HB3 GLN A 73 9.555 7.091 -0.057 1.00 0.00 H new ATOM 0 HG2 GLN A 73 7.900 8.920 0.279 1.00 0.00 H new ATOM 0 HG3 GLN A 73 8.507 9.199 1.899 1.00 0.00 H new ATOM 0 HE21 GLN A 73 8.559 10.813 -0.825 1.00 0.00 H new ATOM 0 HE22 GLN A 73 10.240 11.349 -0.905 1.00 0.00 H new ATOM 263 N SER A 74 9.333 4.537 2.476 1.00 0.00 N ATOM 264 CA SER A 74 9.790 3.152 2.446 1.00 0.00 C ATOM 265 C SER A 74 8.619 2.210 2.196 1.00 0.00 C ATOM 266 O SER A 74 8.776 1.156 1.582 1.00 0.00 O ATOM 267 CB SER A 74 10.467 2.795 3.770 1.00 0.00 C ATOM 268 OG SER A 74 9.473 2.607 4.769 1.00 0.00 O ATOM 0 H SER A 74 9.543 5.036 3.341 1.00 0.00 H new ATOM 0 HA SER A 74 10.509 3.042 1.634 1.00 0.00 H new ATOM 0 HB2 SER A 74 11.060 1.888 3.656 1.00 0.00 H new ATOM 0 HB3 SER A 74 11.152 3.589 4.067 1.00 0.00 H new ATOM 0 HG SER A 74 9.029 3.461 4.954 1.00 0.00 H new ATOM 274 N LEU A 75 7.448 2.594 2.680 1.00 0.00 N ATOM 275 CA LEU A 75 6.255 1.773 2.505 1.00 0.00 C ATOM 276 C LEU A 75 5.908 1.633 1.031 1.00 0.00 C ATOM 277 O LEU A 75 5.546 0.551 0.571 1.00 0.00 O ATOM 278 CB LEU A 75 5.075 2.405 3.261 1.00 0.00 C ATOM 279 CG LEU A 75 5.169 2.052 4.755 1.00 0.00 C ATOM 280 CD1 LEU A 75 4.917 0.541 4.968 1.00 0.00 C ATOM 281 CD2 LEU A 75 6.567 2.425 5.276 1.00 0.00 C ATOM 0 H LEU A 75 7.296 3.462 3.194 1.00 0.00 H new ATOM 0 HA LEU A 75 6.455 0.780 2.908 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.085 3.487 3.132 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.132 2.044 2.851 1.00 0.00 H new ATOM 0 HG LEU A 75 4.411 2.611 5.303 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.987 0.307 6.030 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.922 0.283 4.604 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.664 -0.033 4.420 1.00 0.00 H new ATOM 0 HD21 LEU A 75 6.639 2.177 6.335 1.00 0.00 H new ATOM 0 HD22 LEU A 75 7.322 1.869 4.721 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.732 3.494 5.142 1.00 0.00 H new ATOM 293 N MET A 76 6.016 2.731 0.303 1.00 0.00 N ATOM 294 CA MET A 76 5.707 2.724 -1.119 1.00 0.00 C ATOM 295 C MET A 76 6.795 1.997 -1.897 1.00 0.00 C ATOM 296 O MET A 76 6.763 1.949 -3.124 1.00 0.00 O ATOM 297 CB MET A 76 5.583 4.157 -1.636 1.00 0.00 C ATOM 298 CG MET A 76 4.367 4.827 -0.993 1.00 0.00 C ATOM 299 SD MET A 76 4.319 6.575 -1.463 1.00 0.00 S ATOM 300 CE MET A 76 3.363 6.378 -2.986 1.00 0.00 C ATOM 0 H MET A 76 6.314 3.635 0.669 1.00 0.00 H new ATOM 0 HA MET A 76 4.760 2.204 -1.262 1.00 0.00 H new ATOM 0 HB2 MET A 76 6.487 4.719 -1.402 1.00 0.00 H new ATOM 0 HB3 MET A 76 5.480 4.156 -2.721 1.00 0.00 H new ATOM 0 HG2 MET A 76 3.452 4.328 -1.314 1.00 0.00 H new ATOM 0 HG3 MET A 76 4.418 4.733 0.092 1.00 0.00 H new ATOM 0 HE1 MET A 76 3.393 7.306 -3.557 1.00 0.00 H new ATOM 0 HE2 MET A 76 3.790 5.571 -3.582 1.00 0.00 H new ATOM 0 HE3 MET A 76 2.329 6.138 -2.738 1.00 0.00 H new ATOM 310 N LYS A 77 7.762 1.435 -1.174 1.00 0.00 N ATOM 311 CA LYS A 77 8.871 0.710 -1.803 1.00 0.00 C ATOM 312 C LYS A 77 8.834 -0.756 -1.403 1.00 0.00 C ATOM 313 O LYS A 77 7.825 -1.237 -0.892 1.00 0.00 O ATOM 314 CB LYS A 77 10.203 1.326 -1.376 1.00 0.00 C ATOM 315 CG LYS A 77 10.297 2.754 -1.915 1.00 0.00 C ATOM 316 CD LYS A 77 11.626 3.377 -1.480 1.00 0.00 C ATOM 317 CE LYS A 77 11.661 4.848 -1.897 1.00 0.00 C ATOM 318 NZ LYS A 77 11.507 4.951 -3.376 1.00 0.00 N ATOM 0 H LYS A 77 7.803 1.466 -0.155 1.00 0.00 H new ATOM 0 HA LYS A 77 8.770 0.785 -2.886 1.00 0.00 H new ATOM 0 HB2 LYS A 77 10.283 1.330 -0.289 1.00 0.00 H new ATOM 0 HB3 LYS A 77 11.031 0.727 -1.755 1.00 0.00 H new ATOM 0 HG2 LYS A 77 10.224 2.749 -3.003 1.00 0.00 H new ATOM 0 HG3 LYS A 77 9.464 3.350 -1.542 1.00 0.00 H new ATOM 0 HD2 LYS A 77 11.744 3.291 -0.400 1.00 0.00 H new ATOM 0 HD3 LYS A 77 12.458 2.839 -1.935 1.00 0.00 H new ATOM 0 HE2 LYS A 77 10.862 5.397 -1.399 1.00 0.00 H new ATOM 0 HE3 LYS A 77 12.602 5.302 -1.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 11.781 5.905 -3.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 12.117 4.247 -3.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 10.516 4.773 -3.635 1.00 0.00 H new ATOM 332 N ASP A 78 9.937 -1.457 -1.645 1.00 0.00 N ATOM 333 CA ASP A 78 10.025 -2.873 -1.308 1.00 0.00 C ATOM 334 C ASP A 78 9.207 -3.713 -2.282 1.00 0.00 C ATOM 335 O ASP A 78 8.102 -4.151 -1.966 1.00 0.00 O ATOM 336 CB ASP A 78 9.528 -3.107 0.125 1.00 0.00 C ATOM 337 CG ASP A 78 10.120 -4.395 0.687 1.00 0.00 C ATOM 338 OD1 ASP A 78 11.322 -4.567 0.577 1.00 0.00 O ATOM 339 OD2 ASP A 78 9.360 -5.189 1.215 1.00 0.00 O ATOM 0 H ASP A 78 10.779 -1.070 -2.071 1.00 0.00 H new ATOM 0 HA ASP A 78 11.069 -3.176 -1.380 1.00 0.00 H new ATOM 0 HB2 ASP A 78 9.808 -2.264 0.757 1.00 0.00 H new ATOM 0 HB3 ASP A 78 8.440 -3.164 0.135 1.00 0.00 H new ATOM 344 N THR A 79 9.755 -3.936 -3.468 1.00 0.00 N ATOM 345 CA THR A 79 9.065 -4.729 -4.483 1.00 0.00 C ATOM 346 C THR A 79 10.070 -5.448 -5.375 1.00 0.00 C ATOM 347 O THR A 79 11.156 -4.933 -5.643 1.00 0.00 O ATOM 348 CB THR A 79 8.175 -3.822 -5.336 1.00 0.00 C ATOM 349 OG1 THR A 79 7.639 -4.571 -6.417 1.00 0.00 O ATOM 350 CG2 THR A 79 9.001 -2.656 -5.881 1.00 0.00 C ATOM 0 H THR A 79 10.669 -3.583 -3.753 1.00 0.00 H new ATOM 0 HA THR A 79 8.448 -5.474 -3.980 1.00 0.00 H new ATOM 0 HB THR A 79 7.362 -3.431 -4.724 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.067 -3.993 -6.964 1.00 0.00 H new ATOM 0 HG21 THR A 79 8.365 -2.012 -6.488 1.00 0.00 H new ATOM 0 HG22 THR A 79 9.412 -2.082 -5.051 1.00 0.00 H new ATOM 0 HG23 THR A 79 9.816 -3.042 -6.493 1.00 0.00 H new ATOM 358 N ASP A 80 9.700 -6.640 -5.832 1.00 0.00 N ATOM 359 CA ASP A 80 10.577 -7.424 -6.695 1.00 0.00 C ATOM 360 C ASP A 80 9.771 -8.429 -7.508 1.00 0.00 C ATOM 361 O ASP A 80 10.290 -9.464 -7.923 1.00 0.00 O ATOM 362 CB ASP A 80 11.617 -8.162 -5.850 1.00 0.00 C ATOM 363 CG ASP A 80 10.921 -9.112 -4.881 1.00 0.00 C ATOM 364 OD1 ASP A 80 9.703 -9.082 -4.825 1.00 0.00 O ATOM 365 OD2 ASP A 80 11.617 -9.855 -4.210 1.00 0.00 O ATOM 0 H ASP A 80 8.805 -7.082 -5.621 1.00 0.00 H new ATOM 0 HA ASP A 80 11.083 -6.744 -7.381 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.294 -8.720 -6.497 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.224 -7.445 -5.297 1.00 0.00 H new ATOM 370 N SER A 81 8.497 -8.120 -7.730 1.00 0.00 N ATOM 371 CA SER A 81 7.627 -9.006 -8.496 1.00 0.00 C ATOM 372 C SER A 81 6.466 -8.225 -9.097 1.00 0.00 C ATOM 373 O SER A 81 5.363 -8.222 -8.553 1.00 0.00 O ATOM 374 CB SER A 81 7.086 -10.111 -7.590 1.00 0.00 C ATOM 375 OG SER A 81 6.371 -11.056 -8.374 1.00 0.00 O ATOM 0 H SER A 81 8.047 -7.269 -7.393 1.00 0.00 H new ATOM 0 HA SER A 81 8.208 -9.450 -9.304 1.00 0.00 H new ATOM 0 HB2 SER A 81 7.907 -10.602 -7.067 1.00 0.00 H new ATOM 0 HB3 SER A 81 6.433 -9.685 -6.829 1.00 0.00 H new ATOM 0 HG SER A 81 6.162 -11.843 -7.828 1.00 0.00 H new ATOM 381 N GLU A 82 6.721 -7.567 -10.221 1.00 0.00 N ATOM 382 CA GLU A 82 5.688 -6.782 -10.888 1.00 0.00 C ATOM 383 C GLU A 82 4.465 -7.644 -11.179 1.00 0.00 C ATOM 384 O GLU A 82 3.334 -7.159 -11.155 1.00 0.00 O ATOM 385 CB GLU A 82 6.234 -6.211 -12.200 1.00 0.00 C ATOM 386 CG GLU A 82 7.356 -5.215 -11.903 1.00 0.00 C ATOM 387 CD GLU A 82 6.796 -3.996 -11.176 1.00 0.00 C ATOM 388 OE1 GLU A 82 5.827 -3.436 -11.662 1.00 0.00 O ATOM 389 OE2 GLU A 82 7.342 -3.644 -10.143 1.00 0.00 O ATOM 0 H GLU A 82 7.628 -7.560 -10.688 1.00 0.00 H new ATOM 0 HA GLU A 82 5.395 -5.965 -10.228 1.00 0.00 H new ATOM 0 HB2 GLU A 82 6.608 -7.017 -12.831 1.00 0.00 H new ATOM 0 HB3 GLU A 82 5.435 -5.718 -12.754 1.00 0.00 H new ATOM 0 HG2 GLU A 82 8.123 -5.691 -11.293 1.00 0.00 H new ATOM 0 HG3 GLU A 82 7.834 -4.906 -12.833 1.00 0.00 H new ATOM 396 N GLU A 83 4.699 -8.922 -11.453 1.00 0.00 N ATOM 397 CA GLU A 83 3.605 -9.839 -11.748 1.00 0.00 C ATOM 398 C GLU A 83 2.707 -10.016 -10.529 1.00 0.00 C ATOM 399 O GLU A 83 1.486 -10.111 -10.653 1.00 0.00 O ATOM 400 CB GLU A 83 4.165 -11.198 -12.175 1.00 0.00 C ATOM 401 CG GLU A 83 3.016 -12.128 -12.568 1.00 0.00 C ATOM 402 CD GLU A 83 3.567 -13.462 -13.057 1.00 0.00 C ATOM 403 OE1 GLU A 83 4.748 -13.698 -12.868 1.00 0.00 O ATOM 404 OE2 GLU A 83 2.798 -14.229 -13.614 1.00 0.00 O ATOM 0 H GLU A 83 5.627 -9.344 -11.477 1.00 0.00 H new ATOM 0 HA GLU A 83 3.013 -9.418 -12.560 1.00 0.00 H new ATOM 0 HB2 GLU A 83 4.848 -11.073 -13.015 1.00 0.00 H new ATOM 0 HB3 GLU A 83 4.739 -11.638 -11.360 1.00 0.00 H new ATOM 0 HG2 GLU A 83 2.359 -12.288 -11.713 1.00 0.00 H new ATOM 0 HG3 GLU A 83 2.414 -11.665 -13.350 1.00 0.00 H new ATOM 411 N GLU A 84 3.319 -10.061 -9.354 1.00 0.00 N ATOM 412 CA GLU A 84 2.563 -10.230 -8.117 1.00 0.00 C ATOM 413 C GLU A 84 1.652 -9.031 -7.882 1.00 0.00 C ATOM 414 O GLU A 84 0.566 -9.165 -7.320 1.00 0.00 O ATOM 415 CB GLU A 84 3.522 -10.389 -6.935 1.00 0.00 C ATOM 416 CG GLU A 84 2.722 -10.637 -5.653 1.00 0.00 C ATOM 417 CD GLU A 84 3.671 -10.882 -4.485 1.00 0.00 C ATOM 418 OE1 GLU A 84 4.853 -10.623 -4.643 1.00 0.00 O ATOM 419 OE2 GLU A 84 3.202 -11.323 -3.450 1.00 0.00 O ATOM 0 H GLU A 84 4.328 -9.984 -9.229 1.00 0.00 H new ATOM 0 HA GLU A 84 1.949 -11.126 -8.206 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.204 -11.220 -7.116 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.133 -9.493 -6.827 1.00 0.00 H new ATOM 0 HG2 GLU A 84 2.085 -9.779 -5.441 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.065 -11.497 -5.785 1.00 0.00 H new ATOM 426 N ILE A 85 2.106 -7.857 -8.306 1.00 0.00 N ATOM 427 CA ILE A 85 1.324 -6.640 -8.125 1.00 0.00 C ATOM 428 C ILE A 85 0.012 -6.732 -8.892 1.00 0.00 C ATOM 429 O ILE A 85 -1.044 -6.377 -8.373 1.00 0.00 O ATOM 430 CB ILE A 85 2.122 -5.431 -8.624 1.00 0.00 C ATOM 431 CG1 ILE A 85 3.514 -5.435 -7.978 1.00 0.00 C ATOM 432 CG2 ILE A 85 1.394 -4.140 -8.245 1.00 0.00 C ATOM 433 CD1 ILE A 85 3.393 -5.514 -6.449 1.00 0.00 C ATOM 0 H ILE A 85 3.003 -7.722 -8.773 1.00 0.00 H new ATOM 0 HA ILE A 85 1.106 -6.522 -7.064 1.00 0.00 H new ATOM 0 HB ILE A 85 2.220 -5.488 -9.708 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.091 -6.282 -8.348 1.00 0.00 H new ATOM 0 HG13 ILE A 85 4.056 -4.532 -8.260 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.965 -3.282 -8.602 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.404 -4.133 -8.702 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.294 -4.084 -7.161 1.00 0.00 H new ATOM 0 HD11 ILE A 85 4.388 -5.516 -6.005 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.834 -4.653 -6.083 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.870 -6.430 -6.172 1.00 0.00 H new ATOM 445 N ARG A 86 0.085 -7.208 -10.130 1.00 0.00 N ATOM 446 CA ARG A 86 -1.111 -7.338 -10.952 1.00 0.00 C ATOM 447 C ARG A 86 -2.077 -8.347 -10.338 1.00 0.00 C ATOM 448 O ARG A 86 -3.275 -8.082 -10.225 1.00 0.00 O ATOM 449 CB ARG A 86 -0.723 -7.794 -12.361 1.00 0.00 C ATOM 450 CG ARG A 86 -1.968 -7.832 -13.250 1.00 0.00 C ATOM 451 CD ARG A 86 -1.576 -8.270 -14.661 1.00 0.00 C ATOM 452 NE ARG A 86 -2.719 -8.156 -15.558 1.00 0.00 N ATOM 453 CZ ARG A 86 -2.629 -8.519 -16.834 1.00 0.00 C ATOM 454 NH1 ARG A 86 -1.479 -8.887 -17.328 1.00 0.00 N ATOM 455 NH2 ARG A 86 -3.693 -8.509 -17.591 1.00 0.00 N ATOM 0 H ARG A 86 0.949 -7.507 -10.582 1.00 0.00 H new ATOM 0 HA ARG A 86 -1.603 -6.367 -11.004 1.00 0.00 H new ATOM 0 HB2 ARG A 86 0.017 -7.114 -12.783 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.262 -8.781 -12.321 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.703 -8.522 -12.835 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.436 -6.848 -13.280 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.755 -7.653 -15.026 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -1.219 -9.300 -14.644 1.00 0.00 H new ATOM 0 HE ARG A 86 -3.602 -7.792 -15.201 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.649 -8.896 -16.735 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -1.410 -9.165 -18.307 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -4.592 -8.223 -17.203 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -3.625 -8.787 -18.570 1.00 0.00 H new ATOM 469 N GLU A 87 -1.550 -9.499 -9.938 1.00 0.00 N ATOM 470 CA GLU A 87 -2.378 -10.536 -9.331 1.00 0.00 C ATOM 471 C GLU A 87 -2.898 -10.081 -7.973 1.00 0.00 C ATOM 472 O GLU A 87 -4.066 -10.287 -7.643 1.00 0.00 O ATOM 473 CB GLU A 87 -1.566 -11.823 -9.167 1.00 0.00 C ATOM 474 CG GLU A 87 -1.287 -12.431 -10.543 1.00 0.00 C ATOM 475 CD GLU A 87 -0.378 -13.648 -10.399 1.00 0.00 C ATOM 476 OE1 GLU A 87 0.000 -13.951 -9.279 1.00 0.00 O ATOM 477 OE2 GLU A 87 -0.073 -14.257 -11.411 1.00 0.00 O ATOM 0 H GLU A 87 -0.562 -9.738 -10.022 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.229 -10.725 -9.986 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -0.628 -11.610 -8.655 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -2.113 -12.534 -8.548 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -2.224 -12.720 -11.019 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.817 -11.690 -11.189 1.00 0.00 H new ATOM 484 N ALA A 88 -2.022 -9.464 -7.187 1.00 0.00 N ATOM 485 CA ALA A 88 -2.402 -8.992 -5.862 1.00 0.00 C ATOM 486 C ALA A 88 -3.565 -8.012 -5.963 1.00 0.00 C ATOM 487 O ALA A 88 -4.482 -8.038 -5.143 1.00 0.00 O ATOM 488 CB ALA A 88 -1.211 -8.302 -5.193 1.00 0.00 C ATOM 0 H ALA A 88 -1.052 -9.280 -7.442 1.00 0.00 H new ATOM 0 HA ALA A 88 -2.709 -9.849 -5.263 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -1.503 -7.952 -4.203 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -0.386 -9.009 -5.100 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -0.895 -7.453 -5.799 1.00 0.00 H new ATOM 494 N PHE A 89 -3.524 -7.152 -6.975 1.00 0.00 N ATOM 495 CA PHE A 89 -4.584 -6.169 -7.169 1.00 0.00 C ATOM 496 C PHE A 89 -5.925 -6.867 -7.375 1.00 0.00 C ATOM 497 O PHE A 89 -6.928 -6.492 -6.767 1.00 0.00 O ATOM 498 CB PHE A 89 -4.267 -5.298 -8.386 1.00 0.00 C ATOM 499 CG PHE A 89 -5.281 -4.183 -8.485 1.00 0.00 C ATOM 500 CD1 PHE A 89 -5.234 -3.114 -7.581 1.00 0.00 C ATOM 501 CD2 PHE A 89 -6.267 -4.215 -9.478 1.00 0.00 C ATOM 502 CE1 PHE A 89 -6.171 -2.078 -7.669 1.00 0.00 C ATOM 503 CE2 PHE A 89 -7.204 -3.179 -9.566 1.00 0.00 C ATOM 504 CZ PHE A 89 -7.158 -2.110 -8.662 1.00 0.00 C ATOM 0 H PHE A 89 -2.776 -7.115 -7.668 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.645 -5.542 -6.279 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.263 -4.884 -8.298 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -4.285 -5.902 -9.293 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -4.473 -3.089 -6.815 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -6.305 -5.038 -10.176 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -6.133 -1.254 -6.971 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -7.964 -3.204 -10.333 1.00 0.00 H new ATOM 0 HZ PHE A 89 -7.882 -1.312 -8.731 1.00 0.00 H new ATOM 514 N ARG A 90 -5.935 -7.886 -8.229 1.00 0.00 N ATOM 515 CA ARG A 90 -7.162 -8.630 -8.496 1.00 0.00 C ATOM 516 C ARG A 90 -7.660 -9.316 -7.227 1.00 0.00 C ATOM 517 O ARG A 90 -8.846 -9.259 -6.904 1.00 0.00 O ATOM 518 CB ARG A 90 -6.909 -9.678 -9.582 1.00 0.00 C ATOM 519 CG ARG A 90 -6.724 -8.982 -10.932 1.00 0.00 C ATOM 520 CD ARG A 90 -6.391 -10.022 -12.002 1.00 0.00 C ATOM 521 NE ARG A 90 -7.495 -10.971 -12.142 1.00 0.00 N ATOM 522 CZ ARG A 90 -7.276 -12.239 -12.477 1.00 0.00 C ATOM 523 NH1 ARG A 90 -6.209 -12.851 -12.045 1.00 0.00 N ATOM 524 NH2 ARG A 90 -8.127 -12.869 -13.241 1.00 0.00 N ATOM 0 H ARG A 90 -5.117 -8.213 -8.743 1.00 0.00 H new ATOM 0 HA ARG A 90 -7.924 -7.930 -8.838 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -6.022 -10.263 -9.338 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -7.746 -10.374 -9.632 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -7.632 -8.444 -11.203 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -5.924 -8.244 -10.866 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -6.204 -9.527 -12.955 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.477 -10.552 -11.733 1.00 0.00 H new ATOM 0 HE ARG A 90 -8.451 -10.654 -11.980 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -5.543 -12.357 -11.451 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -6.040 -13.824 -12.301 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -8.960 -12.388 -13.581 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -7.959 -13.842 -13.498 1.00 0.00 H new ATOM 538 N VAL A 91 -6.744 -9.958 -6.512 1.00 0.00 N ATOM 539 CA VAL A 91 -7.092 -10.646 -5.275 1.00 0.00 C ATOM 540 C VAL A 91 -7.526 -9.641 -4.214 1.00 0.00 C ATOM 541 O VAL A 91 -8.453 -9.894 -3.445 1.00 0.00 O ATOM 542 CB VAL A 91 -5.900 -11.457 -4.767 1.00 0.00 C ATOM 543 CG1 VAL A 91 -6.253 -12.095 -3.421 1.00 0.00 C ATOM 544 CG2 VAL A 91 -5.567 -12.557 -5.779 1.00 0.00 C ATOM 0 H VAL A 91 -5.758 -10.017 -6.766 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.921 -11.324 -5.478 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.039 -10.800 -4.643 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -5.403 -12.673 -3.058 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -6.494 -11.314 -2.700 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -7.113 -12.753 -3.545 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.717 -13.137 -5.419 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.429 -13.213 -5.900 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.317 -12.105 -6.739 1.00 0.00 H new ATOM 554 N GLU A 92 -6.840 -8.503 -4.171 1.00 0.00 N ATOM 555 CA GLU A 92 -7.154 -7.470 -3.192 1.00 0.00 C ATOM 556 C GLU A 92 -8.481 -6.804 -3.536 1.00 0.00 C ATOM 557 O GLU A 92 -9.155 -6.259 -2.661 1.00 0.00 O ATOM 558 CB GLU A 92 -6.044 -6.416 -3.171 1.00 0.00 C ATOM 559 CG GLU A 92 -6.337 -5.381 -2.081 1.00 0.00 C ATOM 560 CD GLU A 92 -5.214 -4.354 -2.022 1.00 0.00 C ATOM 561 OE1 GLU A 92 -4.392 -4.350 -2.922 1.00 0.00 O ATOM 562 OE2 GLU A 92 -5.193 -3.583 -1.079 1.00 0.00 O ATOM 0 H GLU A 92 -6.069 -8.274 -4.798 1.00 0.00 H new ATOM 0 HA GLU A 92 -7.232 -7.934 -2.209 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -5.081 -6.892 -2.985 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -5.976 -5.926 -4.142 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -7.285 -4.884 -2.286 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -6.439 -5.877 -1.115 1.00 0.00 H new ATOM 569 N ASP A 93 -8.851 -6.846 -4.813 1.00 0.00 N ATOM 570 CA ASP A 93 -10.103 -6.240 -5.252 1.00 0.00 C ATOM 571 C ASP A 93 -11.264 -7.213 -5.065 1.00 0.00 C ATOM 572 O ASP A 93 -11.637 -7.937 -5.988 1.00 0.00 O ATOM 573 CB ASP A 93 -9.999 -5.847 -6.728 1.00 0.00 C ATOM 574 CG ASP A 93 -11.091 -4.842 -7.080 1.00 0.00 C ATOM 575 OD1 ASP A 93 -12.019 -4.704 -6.297 1.00 0.00 O ATOM 576 OD2 ASP A 93 -10.982 -4.222 -8.125 1.00 0.00 O ATOM 0 H ASP A 93 -8.308 -7.288 -5.554 1.00 0.00 H new ATOM 0 HA ASP A 93 -10.288 -5.351 -4.649 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -9.018 -5.416 -6.930 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -10.093 -6.733 -7.356 1.00 0.00 H new ATOM 581 N LYS A 94 -11.831 -7.225 -3.864 1.00 0.00 N ATOM 582 CA LYS A 94 -12.948 -8.114 -3.568 1.00 0.00 C ATOM 583 C LYS A 94 -14.132 -7.811 -4.473 1.00 0.00 C ATOM 584 O LYS A 94 -14.773 -8.724 -4.994 1.00 0.00 O ATOM 585 CB LYS A 94 -13.365 -7.948 -2.105 1.00 0.00 C ATOM 586 CG LYS A 94 -12.194 -8.317 -1.184 1.00 0.00 C ATOM 587 CD LYS A 94 -11.901 -9.823 -1.277 1.00 0.00 C ATOM 588 CE LYS A 94 -11.113 -10.268 -0.050 1.00 0.00 C ATOM 589 NZ LYS A 94 -9.816 -9.537 -0.002 1.00 0.00 N ATOM 0 H LYS A 94 -11.539 -6.634 -3.085 1.00 0.00 H new ATOM 0 HA LYS A 94 -12.629 -9.141 -3.745 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -13.674 -6.919 -1.920 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -14.224 -8.583 -1.888 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -11.307 -7.748 -1.465 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -12.432 -8.048 -0.155 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -12.834 -10.382 -1.344 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -11.335 -10.038 -2.183 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -11.687 -10.072 0.855 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -10.936 -11.343 -0.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -9.195 -9.977 0.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -9.359 -9.578 -0.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -9.986 -8.544 0.256 1.00 0.00 H new ATOM 603 N ASP A 95 -14.418 -6.529 -4.654 1.00 0.00 N ATOM 604 CA ASP A 95 -15.536 -6.119 -5.494 1.00 0.00 C ATOM 605 C ASP A 95 -15.142 -6.187 -6.965 1.00 0.00 C ATOM 606 O ASP A 95 -15.951 -5.900 -7.847 1.00 0.00 O ATOM 607 CB ASP A 95 -15.955 -4.691 -5.144 1.00 0.00 C ATOM 608 CG ASP A 95 -16.159 -4.560 -3.639 1.00 0.00 C ATOM 609 OD1 ASP A 95 -17.122 -5.118 -3.139 1.00 0.00 O ATOM 610 OD2 ASP A 95 -15.346 -3.904 -3.008 1.00 0.00 O ATOM 0 H ASP A 95 -13.896 -5.760 -4.234 1.00 0.00 H new ATOM 0 HA ASP A 95 -16.372 -6.795 -5.316 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -15.192 -3.988 -5.478 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -16.876 -4.435 -5.668 1.00 0.00 H new ATOM 615 N GLY A 96 -13.894 -6.569 -7.222 1.00 0.00 N ATOM 616 CA GLY A 96 -13.402 -6.671 -8.591 1.00 0.00 C ATOM 617 C GLY A 96 -13.855 -5.478 -9.425 1.00 0.00 C ATOM 618 O GLY A 96 -13.871 -5.535 -10.654 1.00 0.00 O ATOM 0 H GLY A 96 -13.210 -6.811 -6.505 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -12.313 -6.724 -8.587 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -13.764 -7.594 -9.044 1.00 0.00 H new ATOM 622 N ASN A 97 -14.219 -4.395 -8.744 1.00 0.00 N ATOM 623 CA ASN A 97 -14.670 -3.190 -9.429 1.00 0.00 C ATOM 624 C ASN A 97 -13.481 -2.413 -9.981 1.00 0.00 C ATOM 625 O ASN A 97 -13.650 -1.400 -10.659 1.00 0.00 O ATOM 626 CB ASN A 97 -15.459 -2.304 -8.464 1.00 0.00 C ATOM 627 CG ASN A 97 -14.607 -1.973 -7.243 1.00 0.00 C ATOM 628 OD1 ASN A 97 -13.522 -2.529 -7.072 1.00 0.00 O ATOM 629 ND2 ASN A 97 -15.034 -1.095 -6.378 1.00 0.00 N ATOM 0 H ASN A 97 -14.210 -4.328 -7.726 1.00 0.00 H new ATOM 0 HA ASN A 97 -15.314 -3.485 -10.258 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -15.762 -1.385 -8.966 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -16.371 -2.813 -8.154 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -14.469 -0.869 -5.560 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -15.933 -0.635 -6.520 1.00 0.00 H new ATOM 636 N GLY A 98 -12.279 -2.894 -9.686 1.00 0.00 N ATOM 637 CA GLY A 98 -11.066 -2.237 -10.157 1.00 0.00 C ATOM 638 C GLY A 98 -10.669 -1.097 -9.229 1.00 0.00 C ATOM 639 O GLY A 98 -9.855 -0.248 -9.586 1.00 0.00 O ATOM 0 H GLY A 98 -12.119 -3.731 -9.126 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.254 -2.962 -10.216 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -11.224 -1.853 -11.165 1.00 0.00 H new ATOM 643 N TYR A 99 -11.249 -1.083 -8.031 1.00 0.00 N ATOM 644 CA TYR A 99 -10.945 -0.039 -7.054 1.00 0.00 C ATOM 645 C TYR A 99 -10.847 -0.634 -5.655 1.00 0.00 C ATOM 646 O TYR A 99 -11.557 -1.584 -5.327 1.00 0.00 O ATOM 647 CB TYR A 99 -12.041 1.027 -7.079 1.00 0.00 C ATOM 648 CG TYR A 99 -12.204 1.544 -8.488 1.00 0.00 C ATOM 649 CD1 TYR A 99 -11.355 2.545 -8.973 1.00 0.00 C ATOM 650 CD2 TYR A 99 -13.208 1.019 -9.311 1.00 0.00 C ATOM 651 CE1 TYR A 99 -11.508 3.022 -10.280 1.00 0.00 C ATOM 652 CE2 TYR A 99 -13.362 1.495 -10.619 1.00 0.00 C ATOM 653 CZ TYR A 99 -12.512 2.497 -11.103 1.00 0.00 C ATOM 654 OH TYR A 99 -12.663 2.967 -12.392 1.00 0.00 O ATOM 0 H TYR A 99 -11.927 -1.776 -7.715 1.00 0.00 H new ATOM 0 HA TYR A 99 -9.988 0.414 -7.314 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -12.981 0.606 -6.723 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -11.783 1.845 -6.407 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -10.581 2.950 -8.338 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -13.864 0.247 -8.937 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -10.852 3.794 -10.654 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -14.136 1.090 -11.254 1.00 0.00 H new ATOM 0 HH TYR A 99 -13.404 2.496 -12.827 1.00 0.00 H new ATOM 664 N ILE A 100 -9.967 -0.066 -4.833 1.00 0.00 N ATOM 665 CA ILE A 100 -9.782 -0.547 -3.462 1.00 0.00 C ATOM 666 C ILE A 100 -10.332 0.464 -2.471 1.00 0.00 C ATOM 667 O ILE A 100 -9.905 1.616 -2.441 1.00 0.00 O ATOM 668 CB ILE A 100 -8.294 -0.773 -3.190 1.00 0.00 C ATOM 669 CG1 ILE A 100 -7.698 -1.644 -4.304 1.00 0.00 C ATOM 670 CG2 ILE A 100 -8.124 -1.484 -1.847 1.00 0.00 C ATOM 671 CD1 ILE A 100 -8.513 -2.935 -4.466 1.00 0.00 C ATOM 0 H ILE A 100 -9.373 0.723 -5.088 1.00 0.00 H new ATOM 0 HA ILE A 100 -10.320 -1.487 -3.345 1.00 0.00 H new ATOM 0 HB ILE A 100 -7.780 0.188 -3.162 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -7.691 -1.090 -5.243 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -6.662 -1.887 -4.069 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -7.064 -1.645 -1.652 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -8.549 -0.869 -1.054 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -8.638 -2.445 -1.876 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -8.078 -3.543 -5.260 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -8.498 -3.495 -3.531 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -9.543 -2.686 -4.723 1.00 0.00 H new ATOM 683 N SER A 101 -11.285 0.021 -1.657 1.00 0.00 N ATOM 684 CA SER A 101 -11.900 0.891 -0.655 1.00 0.00 C ATOM 685 C SER A 101 -11.281 0.643 0.716 1.00 0.00 C ATOM 686 O SER A 101 -10.392 -0.197 0.867 1.00 0.00 O ATOM 687 CB SER A 101 -13.404 0.633 -0.592 1.00 0.00 C ATOM 688 OG SER A 101 -13.988 0.956 -1.847 1.00 0.00 O ATOM 0 H SER A 101 -11.649 -0.932 -1.670 1.00 0.00 H new ATOM 0 HA SER A 101 -11.723 1.928 -0.941 1.00 0.00 H new ATOM 0 HB2 SER A 101 -13.596 -0.412 -0.347 1.00 0.00 H new ATOM 0 HB3 SER A 101 -13.855 1.234 0.198 1.00 0.00 H new ATOM 0 HG SER A 101 -14.953 0.790 -1.811 1.00 0.00 H new ATOM 694 N ALA A 102 -11.755 1.381 1.714 1.00 0.00 N ATOM 695 CA ALA A 102 -11.239 1.236 3.071 1.00 0.00 C ATOM 696 C ALA A 102 -11.399 -0.205 3.549 1.00 0.00 C ATOM 697 O ALA A 102 -10.470 -0.791 4.104 1.00 0.00 O ATOM 698 CB ALA A 102 -11.987 2.178 4.016 1.00 0.00 C ATOM 0 H ALA A 102 -12.490 2.081 1.611 1.00 0.00 H new ATOM 0 HA ALA A 102 -10.179 1.492 3.070 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -11.597 2.064 5.027 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -11.849 3.208 3.687 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -13.049 1.934 4.008 1.00 0.00 H new ATOM 704 N ALA A 103 -12.584 -0.767 3.337 1.00 0.00 N ATOM 705 CA ALA A 103 -12.854 -2.135 3.762 1.00 0.00 C ATOM 706 C ALA A 103 -11.781 -3.073 3.221 1.00 0.00 C ATOM 707 O ALA A 103 -11.205 -3.863 3.966 1.00 0.00 O ATOM 708 CB ALA A 103 -14.226 -2.577 3.244 1.00 0.00 C ATOM 0 H ALA A 103 -13.366 -0.301 2.878 1.00 0.00 H new ATOM 0 HA ALA A 103 -12.847 -2.173 4.851 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -14.423 -3.600 3.564 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -14.996 -1.917 3.644 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -14.237 -2.529 2.155 1.00 0.00 H new ATOM 714 N GLU A 104 -11.500 -2.967 1.927 1.00 0.00 N ATOM 715 CA GLU A 104 -10.480 -3.805 1.308 1.00 0.00 C ATOM 716 C GLU A 104 -9.100 -3.433 1.836 1.00 0.00 C ATOM 717 O GLU A 104 -8.247 -4.294 2.045 1.00 0.00 O ATOM 718 CB GLU A 104 -10.518 -3.634 -0.212 1.00 0.00 C ATOM 719 CG GLU A 104 -11.830 -4.204 -0.754 1.00 0.00 C ATOM 720 CD GLU A 104 -12.045 -3.743 -2.190 1.00 0.00 C ATOM 721 OE1 GLU A 104 -12.446 -2.606 -2.373 1.00 0.00 O ATOM 722 OE2 GLU A 104 -11.808 -4.535 -3.085 1.00 0.00 O ATOM 0 H GLU A 104 -11.960 -2.315 1.291 1.00 0.00 H new ATOM 0 HA GLU A 104 -10.683 -4.847 1.557 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -10.432 -2.579 -0.473 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -9.670 -4.146 -0.668 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -11.807 -5.293 -0.713 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -12.663 -3.878 -0.130 1.00 0.00 H new ATOM 729 N LEU A 105 -8.887 -2.144 2.047 1.00 0.00 N ATOM 730 CA LEU A 105 -7.612 -1.669 2.551 1.00 0.00 C ATOM 731 C LEU A 105 -7.378 -2.181 3.976 1.00 0.00 C ATOM 732 O LEU A 105 -6.246 -2.390 4.413 1.00 0.00 O ATOM 733 CB LEU A 105 -7.577 -0.121 2.536 1.00 0.00 C ATOM 734 CG LEU A 105 -6.153 0.372 2.210 1.00 0.00 C ATOM 735 CD1 LEU A 105 -5.156 -0.216 3.221 1.00 0.00 C ATOM 736 CD2 LEU A 105 -5.769 -0.060 0.771 1.00 0.00 C ATOM 0 H LEU A 105 -9.578 -1.413 1.878 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.820 -2.050 1.906 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -8.281 0.260 1.796 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -7.892 0.267 3.504 1.00 0.00 H new ATOM 0 HG LEU A 105 -6.123 1.460 2.275 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -4.151 0.135 2.987 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.427 0.104 4.227 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -5.182 -1.304 3.167 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -4.762 0.290 0.543 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -5.801 -1.147 0.697 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -6.473 0.373 0.061 1.00 0.00 H new ATOM 748 N ARG A 106 -8.455 -2.369 4.706 1.00 0.00 N ATOM 749 CA ARG A 106 -8.341 -2.843 6.074 1.00 0.00 C ATOM 750 C ARG A 106 -7.966 -4.323 6.099 1.00 0.00 C ATOM 751 O ARG A 106 -7.102 -4.738 6.866 1.00 0.00 O ATOM 752 CB ARG A 106 -9.665 -2.639 6.802 1.00 0.00 C ATOM 753 CG ARG A 106 -9.502 -3.003 8.279 1.00 0.00 C ATOM 754 CD ARG A 106 -10.831 -2.795 9.005 1.00 0.00 C ATOM 755 NE ARG A 106 -11.821 -3.752 8.528 1.00 0.00 N ATOM 756 CZ ARG A 106 -13.086 -3.693 8.933 1.00 0.00 C ATOM 757 NH1 ARG A 106 -13.557 -2.585 9.435 1.00 0.00 N ATOM 758 NH2 ARG A 106 -13.856 -4.741 8.827 1.00 0.00 N ATOM 0 H ARG A 106 -9.409 -2.205 4.384 1.00 0.00 H new ATOM 0 HA ARG A 106 -7.557 -2.274 6.575 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -9.988 -1.602 6.706 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -10.440 -3.257 6.348 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -9.181 -4.040 8.376 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -8.727 -2.386 8.733 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -10.689 -2.913 10.079 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -11.188 -1.779 8.840 1.00 0.00 H new ATOM 0 HE ARG A 106 -11.538 -4.480 7.872 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -12.955 -1.766 9.516 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -14.527 -2.538 9.746 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -13.488 -5.607 8.433 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -14.826 -4.695 9.138 1.00 0.00 H new ATOM 772 N HIS A 107 -8.631 -5.114 5.263 1.00 0.00 N ATOM 773 CA HIS A 107 -8.367 -6.552 5.207 1.00 0.00 C ATOM 774 C HIS A 107 -6.925 -6.826 4.789 1.00 0.00 C ATOM 775 O HIS A 107 -6.243 -7.673 5.366 1.00 0.00 O ATOM 776 CB HIS A 107 -9.327 -7.224 4.218 1.00 0.00 C ATOM 777 CG HIS A 107 -10.682 -7.381 4.852 1.00 0.00 C ATOM 778 ND1 HIS A 107 -10.910 -8.266 5.893 1.00 0.00 N ATOM 779 CD2 HIS A 107 -11.886 -6.777 4.606 1.00 0.00 C ATOM 780 CE1 HIS A 107 -12.209 -8.170 6.231 1.00 0.00 C ATOM 781 NE2 HIS A 107 -12.850 -7.274 5.476 1.00 0.00 N ATOM 0 H HIS A 107 -9.352 -4.789 4.619 1.00 0.00 H new ATOM 0 HA HIS A 107 -8.524 -6.965 6.203 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -9.407 -6.626 3.311 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -8.938 -8.199 3.924 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -12.061 -6.027 3.849 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -12.676 -8.746 7.016 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -13.834 -7.011 5.527 1.00 0.00 H new ATOM 789 N VAL A 108 -6.470 -6.119 3.771 1.00 0.00 N ATOM 790 CA VAL A 108 -5.109 -6.299 3.286 1.00 0.00 C ATOM 791 C VAL A 108 -4.097 -5.763 4.297 1.00 0.00 C ATOM 792 O VAL A 108 -3.059 -6.377 4.543 1.00 0.00 O ATOM 793 CB VAL A 108 -4.932 -5.577 1.943 1.00 0.00 C ATOM 794 CG1 VAL A 108 -4.830 -4.073 2.168 1.00 0.00 C ATOM 795 CG2 VAL A 108 -3.660 -6.077 1.257 1.00 0.00 C ATOM 0 H VAL A 108 -7.015 -5.420 3.266 1.00 0.00 H new ATOM 0 HA VAL A 108 -4.932 -7.366 3.150 1.00 0.00 H new ATOM 0 HB VAL A 108 -5.795 -5.786 1.311 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -4.705 -3.569 1.209 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -5.740 -3.715 2.650 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -3.973 -3.858 2.806 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.535 -5.564 0.303 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -2.799 -5.874 1.894 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -3.738 -7.150 1.084 1.00 0.00 H new ATOM 805 N MET A 109 -4.396 -4.592 4.852 1.00 0.00 N ATOM 806 CA MET A 109 -3.500 -3.961 5.810 1.00 0.00 C ATOM 807 C MET A 109 -3.469 -4.726 7.125 1.00 0.00 C ATOM 808 O MET A 109 -2.401 -5.015 7.660 1.00 0.00 O ATOM 809 CB MET A 109 -3.943 -2.517 6.065 1.00 0.00 C ATOM 810 CG MET A 109 -2.958 -1.837 7.020 1.00 0.00 C ATOM 811 SD MET A 109 -3.003 -0.051 6.749 1.00 0.00 S ATOM 812 CE MET A 109 -1.713 0.016 5.480 1.00 0.00 C ATOM 0 H MET A 109 -5.247 -4.065 4.655 1.00 0.00 H new ATOM 0 HA MET A 109 -2.495 -3.968 5.387 1.00 0.00 H new ATOM 0 HB2 MET A 109 -3.989 -1.969 5.124 1.00 0.00 H new ATOM 0 HB3 MET A 109 -4.946 -2.504 6.491 1.00 0.00 H new ATOM 0 HG2 MET A 109 -3.218 -2.067 8.053 1.00 0.00 H new ATOM 0 HG3 MET A 109 -1.950 -2.217 6.853 1.00 0.00 H new ATOM 0 HE1 MET A 109 -0.797 0.417 5.913 1.00 0.00 H new ATOM 0 HE2 MET A 109 -1.525 -0.988 5.099 1.00 0.00 H new ATOM 0 HE3 MET A 109 -2.040 0.659 4.663 1.00 0.00 H new ATOM 822 N THR A 110 -4.646 -5.052 7.640 1.00 0.00 N ATOM 823 CA THR A 110 -4.739 -5.783 8.897 1.00 0.00 C ATOM 824 C THR A 110 -4.090 -7.157 8.767 1.00 0.00 C ATOM 825 O THR A 110 -3.528 -7.685 9.726 1.00 0.00 O ATOM 826 CB THR A 110 -6.209 -5.927 9.312 1.00 0.00 C ATOM 827 OG1 THR A 110 -6.280 -6.271 10.686 1.00 0.00 O ATOM 828 CG2 THR A 110 -6.878 -7.016 8.476 1.00 0.00 C ATOM 0 H THR A 110 -5.543 -4.825 7.212 1.00 0.00 H new ATOM 0 HA THR A 110 -4.207 -5.223 9.666 1.00 0.00 H new ATOM 0 HB THR A 110 -6.725 -4.981 9.146 1.00 0.00 H new ATOM 0 HG1 THR A 110 -7.219 -6.362 10.952 1.00 0.00 H new ATOM 0 HG21 THR A 110 -7.922 -7.114 8.775 1.00 0.00 H new ATOM 0 HG22 THR A 110 -6.826 -6.748 7.421 1.00 0.00 H new ATOM 0 HG23 THR A 110 -6.364 -7.964 8.635 1.00 0.00 H new ATOM 836 N ASN A 111 -4.168 -7.724 7.568 1.00 0.00 N ATOM 837 CA ASN A 111 -3.582 -9.032 7.314 1.00 0.00 C ATOM 838 C ASN A 111 -2.072 -8.976 7.507 1.00 0.00 C ATOM 839 O ASN A 111 -1.443 -9.973 7.859 1.00 0.00 O ATOM 840 CB ASN A 111 -3.907 -9.488 5.890 1.00 0.00 C ATOM 841 CG ASN A 111 -3.210 -10.810 5.595 1.00 0.00 C ATOM 842 OD1 ASN A 111 -3.371 -11.779 6.340 1.00 0.00 O ATOM 843 ND2 ASN A 111 -2.437 -10.909 4.550 1.00 0.00 N ATOM 0 H ASN A 111 -4.628 -7.301 6.762 1.00 0.00 H new ATOM 0 HA ASN A 111 -4.004 -9.747 8.020 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -4.985 -9.601 5.773 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -3.586 -8.731 5.175 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -1.964 -11.790 4.347 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -2.305 -10.106 3.935 1.00 0.00 H new ATOM 850 N LEU A 112 -1.496 -7.802 7.271 1.00 0.00 N ATOM 851 CA LEU A 112 -0.055 -7.626 7.421 1.00 0.00 C ATOM 852 C LEU A 112 0.318 -7.479 8.886 1.00 0.00 C ATOM 853 O LEU A 112 1.497 -7.394 9.228 1.00 0.00 O ATOM 854 CB LEU A 112 0.398 -6.383 6.639 1.00 0.00 C ATOM 855 CG LEU A 112 0.555 -6.732 5.147 1.00 0.00 C ATOM 856 CD1 LEU A 112 0.361 -5.472 4.302 1.00 0.00 C ATOM 857 CD2 LEU A 112 1.964 -7.294 4.896 1.00 0.00 C ATOM 0 H LEU A 112 -1.999 -6.965 6.978 1.00 0.00 H new ATOM 0 HA LEU A 112 0.447 -8.508 7.024 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -0.331 -5.581 6.759 1.00 0.00 H new ATOM 0 HB3 LEU A 112 1.344 -6.017 7.037 1.00 0.00 H new ATOM 0 HG LEU A 112 -0.192 -7.476 4.872 1.00 0.00 H new ATOM 0 HD11 LEU A 112 0.472 -5.721 3.247 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -0.636 -5.067 4.476 1.00 0.00 H new ATOM 0 HD13 LEU A 112 1.108 -4.729 4.580 1.00 0.00 H new ATOM 0 HD21 LEU A 112 2.075 -7.541 3.840 1.00 0.00 H new ATOM 0 HD22 LEU A 112 2.708 -6.548 5.174 1.00 0.00 H new ATOM 0 HD23 LEU A 112 2.110 -8.192 5.496 1.00 0.00 H new ATOM 869 N GLY A 113 -0.689 -7.456 9.747 1.00 0.00 N ATOM 870 CA GLY A 113 -0.452 -7.326 11.179 1.00 0.00 C ATOM 871 C GLY A 113 -0.405 -5.865 11.599 1.00 0.00 C ATOM 872 O GLY A 113 0.543 -5.429 12.248 1.00 0.00 O ATOM 0 H GLY A 113 -1.672 -7.525 9.483 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -1.241 -7.840 11.729 1.00 0.00 H new ATOM 0 HA3 GLY A 113 0.488 -7.813 11.440 1.00 0.00 H new ATOM 876 N GLU A 114 -1.436 -5.111 11.230 1.00 0.00 N ATOM 877 CA GLU A 114 -1.506 -3.692 11.582 1.00 0.00 C ATOM 878 C GLU A 114 -2.934 -3.302 11.933 1.00 0.00 C ATOM 879 O GLU A 114 -3.857 -3.537 11.160 1.00 0.00 O ATOM 880 CB GLU A 114 -1.016 -2.837 10.412 1.00 0.00 C ATOM 881 CG GLU A 114 0.488 -3.039 10.225 1.00 0.00 C ATOM 882 CD GLU A 114 0.975 -2.255 9.014 1.00 0.00 C ATOM 883 OE1 GLU A 114 0.180 -1.521 8.451 1.00 0.00 O ATOM 884 OE2 GLU A 114 2.133 -2.407 8.661 1.00 0.00 O ATOM 0 H GLU A 114 -2.231 -5.454 10.691 1.00 0.00 H new ATOM 0 HA GLU A 114 -0.868 -3.519 12.449 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -1.546 -3.112 9.500 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -1.231 -1.785 10.601 1.00 0.00 H new ATOM 0 HG2 GLU A 114 1.020 -2.712 11.118 1.00 0.00 H new ATOM 0 HG3 GLU A 114 0.707 -4.099 10.094 1.00 0.00 H new ATOM 891 N LYS A 115 -3.112 -2.700 13.105 1.00 0.00 N ATOM 892 CA LYS A 115 -4.441 -2.274 13.550 1.00 0.00 C ATOM 893 C LYS A 115 -4.541 -0.758 13.532 1.00 0.00 C ATOM 894 O LYS A 115 -3.977 -0.086 14.392 1.00 0.00 O ATOM 895 CB LYS A 115 -4.700 -2.784 14.966 1.00 0.00 C ATOM 896 CG LYS A 115 -4.836 -4.307 14.941 1.00 0.00 C ATOM 897 CD LYS A 115 -5.101 -4.819 16.358 1.00 0.00 C ATOM 898 CE LYS A 115 -5.260 -6.341 16.331 1.00 0.00 C ATOM 899 NZ LYS A 115 -5.887 -6.798 17.604 1.00 0.00 N ATOM 0 H LYS A 115 -2.360 -2.496 13.763 1.00 0.00 H new ATOM 0 HA LYS A 115 -5.187 -2.688 12.871 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -3.882 -2.492 15.625 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -5.608 -2.333 15.366 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -5.651 -4.599 14.279 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -3.926 -4.758 14.544 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -4.278 -4.541 17.016 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -6.002 -4.356 16.761 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -5.876 -6.638 15.482 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -4.288 -6.817 16.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -5.995 -7.832 17.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -5.282 -6.527 18.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -6.821 -6.354 17.710 1.00 0.00 H new ATOM 913 N LEU A 116 -5.267 -0.228 12.549 1.00 0.00 N ATOM 914 CA LEU A 116 -5.440 1.221 12.415 1.00 0.00 C ATOM 915 C LEU A 116 -6.913 1.592 12.547 1.00 0.00 C ATOM 916 O LEU A 116 -7.793 0.753 12.362 1.00 0.00 O ATOM 917 CB LEU A 116 -4.922 1.683 11.055 1.00 0.00 C ATOM 918 CG LEU A 116 -3.502 1.147 10.836 1.00 0.00 C ATOM 919 CD1 LEU A 116 -2.985 1.614 9.472 1.00 0.00 C ATOM 920 CD2 LEU A 116 -2.574 1.662 11.944 1.00 0.00 C ATOM 0 H LEU A 116 -5.745 -0.777 11.834 1.00 0.00 H new ATOM 0 HA LEU A 116 -4.875 1.713 13.207 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -5.582 1.328 10.263 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -4.922 2.772 11.005 1.00 0.00 H new ATOM 0 HG LEU A 116 -3.520 0.058 10.864 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -1.976 1.233 9.316 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -3.640 1.238 8.686 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -2.971 2.703 9.442 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -1.567 1.278 11.783 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -2.554 2.752 11.925 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -2.941 1.323 12.913 1.00 0.00 H new ATOM 932 N THR A 117 -7.169 2.853 12.873 1.00 0.00 N ATOM 933 CA THR A 117 -8.537 3.331 13.030 1.00 0.00 C ATOM 934 C THR A 117 -9.140 3.674 11.673 1.00 0.00 C ATOM 935 O THR A 117 -8.433 3.736 10.667 1.00 0.00 O ATOM 936 CB THR A 117 -8.560 4.571 13.927 1.00 0.00 C ATOM 937 OG1 THR A 117 -8.163 5.705 13.170 1.00 0.00 O ATOM 938 CG2 THR A 117 -7.596 4.373 15.098 1.00 0.00 C ATOM 0 H THR A 117 -6.451 3.560 13.033 1.00 0.00 H new ATOM 0 HA THR A 117 -9.128 2.539 13.491 1.00 0.00 H new ATOM 0 HB THR A 117 -9.568 4.725 14.312 1.00 0.00 H new ATOM 0 HG1 THR A 117 -7.898 6.427 13.777 1.00 0.00 H new ATOM 0 HG21 THR A 117 -7.613 5.256 15.736 1.00 0.00 H new ATOM 0 HG22 THR A 117 -7.901 3.501 15.677 1.00 0.00 H new ATOM 0 HG23 THR A 117 -6.586 4.220 14.716 1.00 0.00 H new ATOM 946 N ASP A 118 -10.451 3.889 11.652 1.00 0.00 N ATOM 947 CA ASP A 118 -11.138 4.219 10.410 1.00 0.00 C ATOM 948 C ASP A 118 -10.645 5.554 9.858 1.00 0.00 C ATOM 949 O ASP A 118 -10.481 5.715 8.650 1.00 0.00 O ATOM 950 CB ASP A 118 -12.646 4.292 10.653 1.00 0.00 C ATOM 951 CG ASP A 118 -12.953 5.332 11.723 1.00 0.00 C ATOM 952 OD1 ASP A 118 -12.026 5.754 12.395 1.00 0.00 O ATOM 953 OD2 ASP A 118 -14.111 5.690 11.859 1.00 0.00 O ATOM 0 H ASP A 118 -11.054 3.841 12.473 1.00 0.00 H new ATOM 0 HA ASP A 118 -10.923 3.438 9.681 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -13.160 4.549 9.727 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -13.020 3.317 10.965 1.00 0.00 H new ATOM 958 N GLU A 119 -10.408 6.505 10.755 1.00 0.00 N ATOM 959 CA GLU A 119 -9.931 7.818 10.351 1.00 0.00 C ATOM 960 C GLU A 119 -8.519 7.725 9.783 1.00 0.00 C ATOM 961 O GLU A 119 -8.177 8.418 8.824 1.00 0.00 O ATOM 962 CB GLU A 119 -9.939 8.766 11.550 1.00 0.00 C ATOM 963 CG GLU A 119 -11.382 9.048 11.972 1.00 0.00 C ATOM 964 CD GLU A 119 -11.399 9.935 13.212 1.00 0.00 C ATOM 965 OE1 GLU A 119 -10.332 10.334 13.647 1.00 0.00 O ATOM 966 OE2 GLU A 119 -12.481 10.203 13.709 1.00 0.00 O ATOM 0 H GLU A 119 -10.538 6.390 11.760 1.00 0.00 H new ATOM 0 HA GLU A 119 -10.596 8.203 9.578 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -9.387 8.324 12.379 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -9.436 9.698 11.293 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -11.919 9.536 11.158 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -11.899 8.111 12.178 1.00 0.00 H new ATOM 973 N GLU A 120 -7.701 6.866 10.382 1.00 0.00 N ATOM 974 CA GLU A 120 -6.324 6.694 9.925 1.00 0.00 C ATOM 975 C GLU A 120 -6.296 6.113 8.515 1.00 0.00 C ATOM 976 O GLU A 120 -5.522 6.557 7.667 1.00 0.00 O ATOM 977 CB GLU A 120 -5.570 5.761 10.888 1.00 0.00 C ATOM 978 CG GLU A 120 -4.995 6.571 12.051 1.00 0.00 C ATOM 979 CD GLU A 120 -6.114 7.299 12.787 1.00 0.00 C ATOM 980 OE1 GLU A 120 -6.729 8.161 12.183 1.00 0.00 O ATOM 981 OE2 GLU A 120 -6.336 6.985 13.945 1.00 0.00 O ATOM 0 H GLU A 120 -7.962 6.283 11.177 1.00 0.00 H new ATOM 0 HA GLU A 120 -5.837 7.669 9.909 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -6.244 4.992 11.266 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -4.767 5.248 10.358 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -4.467 5.910 12.738 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -4.266 7.291 11.678 1.00 0.00 H new ATOM 988 N VAL A 121 -7.136 5.115 8.275 1.00 0.00 N ATOM 989 CA VAL A 121 -7.191 4.478 6.965 1.00 0.00 C ATOM 990 C VAL A 121 -7.626 5.481 5.903 1.00 0.00 C ATOM 991 O VAL A 121 -7.044 5.545 4.823 1.00 0.00 O ATOM 992 CB VAL A 121 -8.171 3.303 6.997 1.00 0.00 C ATOM 993 CG1 VAL A 121 -8.299 2.706 5.595 1.00 0.00 C ATOM 994 CG2 VAL A 121 -7.654 2.233 7.963 1.00 0.00 C ATOM 0 H VAL A 121 -7.784 4.731 8.963 1.00 0.00 H new ATOM 0 HA VAL A 121 -6.195 4.111 6.715 1.00 0.00 H new ATOM 0 HB VAL A 121 -9.147 3.654 7.332 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -8.997 1.869 5.618 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -8.668 3.467 4.908 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -7.323 2.355 5.258 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -8.352 1.396 7.986 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -6.678 1.882 7.629 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -7.564 2.658 8.963 1.00 0.00 H new ATOM 1004 N ASP A 122 -8.654 6.261 6.219 1.00 0.00 N ATOM 1005 CA ASP A 122 -9.160 7.254 5.279 1.00 0.00 C ATOM 1006 C ASP A 122 -8.073 8.265 4.932 1.00 0.00 C ATOM 1007 O ASP A 122 -7.873 8.603 3.765 1.00 0.00 O ATOM 1008 CB ASP A 122 -10.357 7.984 5.887 1.00 0.00 C ATOM 1009 CG ASP A 122 -11.075 8.795 4.815 1.00 0.00 C ATOM 1010 OD1 ASP A 122 -10.489 9.002 3.765 1.00 0.00 O ATOM 1011 OD2 ASP A 122 -12.202 9.197 5.057 1.00 0.00 O ATOM 0 H ASP A 122 -9.149 6.226 7.110 1.00 0.00 H new ATOM 0 HA ASP A 122 -9.469 6.740 4.369 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -11.045 7.264 6.331 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -10.023 8.642 6.689 1.00 0.00 H new ATOM 1016 N GLU A 123 -7.374 8.745 5.953 1.00 0.00 N ATOM 1017 CA GLU A 123 -6.308 9.720 5.743 1.00 0.00 C ATOM 1018 C GLU A 123 -5.149 9.088 4.976 1.00 0.00 C ATOM 1019 O GLU A 123 -4.553 9.718 4.104 1.00 0.00 O ATOM 1020 CB GLU A 123 -5.804 10.244 7.090 1.00 0.00 C ATOM 1021 CG GLU A 123 -4.889 11.451 6.862 1.00 0.00 C ATOM 1022 CD GLU A 123 -5.713 12.645 6.393 1.00 0.00 C ATOM 1023 OE1 GLU A 123 -6.929 12.543 6.408 1.00 0.00 O ATOM 1024 OE2 GLU A 123 -5.117 13.645 6.029 1.00 0.00 O ATOM 0 H GLU A 123 -7.523 8.479 6.926 1.00 0.00 H new ATOM 0 HA GLU A 123 -6.709 10.548 5.159 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -6.647 10.528 7.720 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -5.262 9.459 7.617 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -4.364 11.700 7.784 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -4.130 11.208 6.119 1.00 0.00 H new ATOM 1031 N MET A 124 -4.832 7.840 5.310 1.00 0.00 N ATOM 1032 CA MET A 124 -3.741 7.139 4.646 1.00 0.00 C ATOM 1033 C MET A 124 -4.016 7.007 3.152 1.00 0.00 C ATOM 1034 O MET A 124 -3.143 7.275 2.327 1.00 0.00 O ATOM 1035 CB MET A 124 -3.567 5.749 5.262 1.00 0.00 C ATOM 1036 CG MET A 124 -2.380 5.047 4.604 1.00 0.00 C ATOM 1037 SD MET A 124 -2.030 3.501 5.481 1.00 0.00 S ATOM 1038 CE MET A 124 -0.224 3.605 5.431 1.00 0.00 C ATOM 0 H MET A 124 -5.311 7.299 6.030 1.00 0.00 H new ATOM 0 HA MET A 124 -2.826 7.715 4.782 1.00 0.00 H new ATOM 0 HB2 MET A 124 -3.404 5.833 6.336 1.00 0.00 H new ATOM 0 HB3 MET A 124 -4.474 5.161 5.122 1.00 0.00 H new ATOM 0 HG2 MET A 124 -2.601 4.841 3.557 1.00 0.00 H new ATOM 0 HG3 MET A 124 -1.504 5.695 4.624 1.00 0.00 H new ATOM 0 HE1 MET A 124 0.204 2.734 5.926 1.00 0.00 H new ATOM 0 HE2 MET A 124 0.110 3.634 4.394 1.00 0.00 H new ATOM 0 HE3 MET A 124 0.103 4.510 5.943 1.00 0.00 H new ATOM 1048 N ILE A 125 -5.232 6.591 2.811 1.00 0.00 N ATOM 1049 CA ILE A 125 -5.607 6.429 1.415 1.00 0.00 C ATOM 1050 C ILE A 125 -5.582 7.776 0.696 1.00 0.00 C ATOM 1051 O ILE A 125 -5.093 7.880 -0.429 1.00 0.00 O ATOM 1052 CB ILE A 125 -7.010 5.824 1.322 1.00 0.00 C ATOM 1053 CG1 ILE A 125 -6.980 4.398 1.876 1.00 0.00 C ATOM 1054 CG2 ILE A 125 -7.455 5.790 -0.144 1.00 0.00 C ATOM 1055 CD1 ILE A 125 -8.411 3.867 2.002 1.00 0.00 C ATOM 0 H ILE A 125 -5.968 6.362 3.479 1.00 0.00 H new ATOM 0 HA ILE A 125 -4.890 5.761 0.937 1.00 0.00 H new ATOM 0 HB ILE A 125 -7.709 6.429 1.900 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -6.398 3.753 1.217 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -6.489 4.385 2.849 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -8.454 5.359 -0.211 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -7.469 6.804 -0.543 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -6.758 5.182 -0.722 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -8.389 2.851 2.397 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -8.978 4.507 2.678 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -8.886 3.865 1.021 1.00 0.00 H new ATOM 1067 N ARG A 126 -6.119 8.803 1.351 1.00 0.00 N ATOM 1068 CA ARG A 126 -6.156 10.134 0.758 1.00 0.00 C ATOM 1069 C ARG A 126 -4.741 10.642 0.500 1.00 0.00 C ATOM 1070 O ARG A 126 -4.453 11.187 -0.566 1.00 0.00 O ATOM 1071 CB ARG A 126 -6.888 11.099 1.694 1.00 0.00 C ATOM 1072 CG ARG A 126 -7.009 12.470 1.026 1.00 0.00 C ATOM 1073 CD ARG A 126 -7.781 13.418 1.943 1.00 0.00 C ATOM 1074 NE ARG A 126 -7.996 14.699 1.275 1.00 0.00 N ATOM 1075 CZ ARG A 126 -9.048 14.899 0.485 1.00 0.00 C ATOM 1076 NH1 ARG A 126 -10.254 14.758 0.961 1.00 0.00 N ATOM 1077 NH2 ARG A 126 -8.872 15.234 -0.763 1.00 0.00 N ATOM 0 H ARG A 126 -6.530 8.739 2.282 1.00 0.00 H new ATOM 0 HA ARG A 126 -6.687 10.078 -0.192 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -7.878 10.710 1.931 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -6.347 11.189 2.636 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -6.018 12.874 0.819 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -7.521 12.376 0.069 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -8.739 12.975 2.213 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -7.228 13.571 2.870 1.00 0.00 H new ATOM 0 HE ARG A 126 -7.326 15.455 1.417 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -10.389 14.495 1.937 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -11.062 14.911 0.357 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -7.928 15.343 -1.134 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -9.678 15.387 -1.369 1.00 0.00 H new ATOM 1091 N GLU A 127 -3.863 10.458 1.480 1.00 0.00 N ATOM 1092 CA GLU A 127 -2.480 10.897 1.347 1.00 0.00 C ATOM 1093 C GLU A 127 -1.729 10.016 0.355 1.00 0.00 C ATOM 1094 O GLU A 127 -0.875 10.493 -0.392 1.00 0.00 O ATOM 1095 CB GLU A 127 -1.785 10.854 2.707 1.00 0.00 C ATOM 1096 CG GLU A 127 -2.405 11.901 3.633 1.00 0.00 C ATOM 1097 CD GLU A 127 -2.103 13.305 3.122 1.00 0.00 C ATOM 1098 OE1 GLU A 127 -0.945 13.579 2.856 1.00 0.00 O ATOM 1099 OE2 GLU A 127 -3.034 14.085 3.006 1.00 0.00 O ATOM 0 H GLU A 127 -4.083 10.011 2.370 1.00 0.00 H new ATOM 0 HA GLU A 127 -2.478 11.921 0.974 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -1.884 9.861 3.146 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -0.718 11.045 2.588 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -3.483 11.752 3.691 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -2.012 11.782 4.643 1.00 0.00 H new ATOM 1106 N ALA A 128 -2.049 8.724 0.359 1.00 0.00 N ATOM 1107 CA ALA A 128 -1.398 7.782 -0.540 1.00 0.00 C ATOM 1108 C ALA A 128 -1.861 7.998 -1.977 1.00 0.00 C ATOM 1109 O ALA A 128 -1.116 7.749 -2.924 1.00 0.00 O ATOM 1110 CB ALA A 128 -1.713 6.348 -0.109 1.00 0.00 C ATOM 0 H ALA A 128 -2.751 8.310 0.972 1.00 0.00 H new ATOM 0 HA ALA A 128 -0.322 7.949 -0.492 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -1.223 5.649 -0.786 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -1.350 6.185 0.906 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -2.791 6.187 -0.139 1.00 0.00 H new ATOM 1116 N ASP A 129 -3.098 8.459 -2.131 1.00 0.00 N ATOM 1117 CA ASP A 129 -3.654 8.702 -3.456 1.00 0.00 C ATOM 1118 C ASP A 129 -3.090 9.990 -4.049 1.00 0.00 C ATOM 1119 O ASP A 129 -3.098 11.038 -3.402 1.00 0.00 O ATOM 1120 CB ASP A 129 -5.175 8.798 -3.373 1.00 0.00 C ATOM 1121 CG ASP A 129 -5.755 8.998 -4.765 1.00 0.00 C ATOM 1122 OD1 ASP A 129 -4.980 9.170 -5.691 1.00 0.00 O ATOM 1123 OD2 ASP A 129 -6.967 8.970 -4.886 1.00 0.00 O ATOM 0 H ASP A 129 -3.731 8.671 -1.359 1.00 0.00 H new ATOM 0 HA ASP A 129 -3.378 7.869 -4.103 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -5.582 7.891 -2.926 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -5.462 9.628 -2.727 1.00 0.00 H new ATOM 1128 N ILE A 130 -2.586 9.901 -5.276 1.00 0.00 N ATOM 1129 CA ILE A 130 -2.009 11.064 -5.941 1.00 0.00 C ATOM 1130 C ILE A 130 -3.075 12.107 -6.244 1.00 0.00 C ATOM 1131 O ILE A 130 -2.869 13.301 -6.031 1.00 0.00 O ATOM 1132 CB ILE A 130 -1.333 10.638 -7.241 1.00 0.00 C ATOM 1133 CG1 ILE A 130 -0.364 9.489 -6.951 1.00 0.00 C ATOM 1134 CG2 ILE A 130 -0.556 11.821 -7.829 1.00 0.00 C ATOM 1135 CD1 ILE A 130 0.630 9.881 -5.850 1.00 0.00 C ATOM 0 H ILE A 130 -2.565 9.043 -5.826 1.00 0.00 H new ATOM 0 HA ILE A 130 -1.272 11.505 -5.270 1.00 0.00 H new ATOM 0 HB ILE A 130 -2.089 10.312 -7.955 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -0.923 8.604 -6.645 1.00 0.00 H new ATOM 0 HG13 ILE A 130 0.178 9.226 -7.860 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -0.074 11.514 -8.757 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -1.243 12.643 -8.031 1.00 0.00 H new ATOM 0 HG23 ILE A 130 0.202 12.148 -7.117 1.00 0.00 H new ATOM 0 HD11 ILE A 130 1.309 9.050 -5.660 1.00 0.00 H new ATOM 0 HD12 ILE A 130 1.203 10.752 -6.170 1.00 0.00 H new ATOM 0 HD13 ILE A 130 0.085 10.121 -4.937 1.00 0.00 H new ATOM 1147 N ASP A 131 -4.211 11.649 -6.757 1.00 0.00 N ATOM 1148 CA ASP A 131 -5.306 12.551 -7.106 1.00 0.00 C ATOM 1149 C ASP A 131 -6.245 12.743 -5.926 1.00 0.00 C ATOM 1150 O ASP A 131 -7.344 13.274 -6.077 1.00 0.00 O ATOM 1151 CB ASP A 131 -6.079 11.989 -8.299 1.00 0.00 C ATOM 1152 CG ASP A 131 -6.495 10.552 -8.021 1.00 0.00 C ATOM 1153 OD1 ASP A 131 -6.717 10.236 -6.866 1.00 0.00 O ATOM 1154 OD2 ASP A 131 -6.595 9.790 -8.968 1.00 0.00 O ATOM 0 H ASP A 131 -4.399 10.663 -6.940 1.00 0.00 H new ATOM 0 HA ASP A 131 -4.884 13.520 -7.371 1.00 0.00 H new ATOM 0 HB2 ASP A 131 -6.961 12.600 -8.492 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -5.460 12.030 -9.195 1.00 0.00 H new ATOM 1159 N GLY A 132 -5.802 12.320 -4.744 1.00 0.00 N ATOM 1160 CA GLY A 132 -6.613 12.473 -3.539 1.00 0.00 C ATOM 1161 C GLY A 132 -8.071 12.141 -3.818 1.00 0.00 C ATOM 1162 O GLY A 132 -8.972 12.853 -3.375 1.00 0.00 O ATOM 0 H GLY A 132 -4.897 11.874 -4.595 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -6.231 11.820 -2.754 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -6.533 13.496 -3.170 1.00 0.00 H new ATOM 1166 N ASP A 133 -8.302 11.063 -4.560 1.00 0.00 N ATOM 1167 CA ASP A 133 -9.662 10.657 -4.898 1.00 0.00 C ATOM 1168 C ASP A 133 -10.264 9.825 -3.771 1.00 0.00 C ATOM 1169 O ASP A 133 -11.430 9.438 -3.830 1.00 0.00 O ATOM 1170 CB ASP A 133 -9.659 9.835 -6.186 1.00 0.00 C ATOM 1171 CG ASP A 133 -9.287 10.714 -7.371 1.00 0.00 C ATOM 1172 OD1 ASP A 133 -9.289 11.924 -7.213 1.00 0.00 O ATOM 1173 OD2 ASP A 133 -9.008 10.159 -8.420 1.00 0.00 O ATOM 0 H ASP A 133 -7.572 10.459 -4.936 1.00 0.00 H new ATOM 0 HA ASP A 133 -10.263 11.555 -5.041 1.00 0.00 H new ATOM 0 HB2 ASP A 133 -8.950 9.011 -6.098 1.00 0.00 H new ATOM 0 HB3 ASP A 133 -10.643 9.393 -6.346 1.00 0.00 H new ATOM 1178 N GLY A 134 -9.460 9.555 -2.749 1.00 0.00 N ATOM 1179 CA GLY A 134 -9.923 8.766 -1.614 1.00 0.00 C ATOM 1180 C GLY A 134 -9.961 7.285 -1.969 1.00 0.00 C ATOM 1181 O GLY A 134 -10.238 6.442 -1.121 1.00 0.00 O ATOM 0 H GLY A 134 -8.492 9.868 -2.683 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -9.263 8.924 -0.761 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -10.917 9.099 -1.314 1.00 0.00 H new ATOM 1185 N GLN A 135 -9.679 6.974 -3.234 1.00 0.00 N ATOM 1186 CA GLN A 135 -9.681 5.587 -3.698 1.00 0.00 C ATOM 1187 C GLN A 135 -8.452 5.321 -4.558 1.00 0.00 C ATOM 1188 O GLN A 135 -7.954 6.219 -5.245 1.00 0.00 O ATOM 1189 CB GLN A 135 -10.946 5.310 -4.511 1.00 0.00 C ATOM 1190 CG GLN A 135 -12.168 5.405 -3.594 1.00 0.00 C ATOM 1191 CD GLN A 135 -13.444 5.216 -4.407 1.00 0.00 C ATOM 1192 OE1 GLN A 135 -13.546 5.711 -5.529 1.00 0.00 O ATOM 1193 NE2 GLN A 135 -14.427 4.519 -3.908 1.00 0.00 N ATOM 0 H GLN A 135 -9.447 7.660 -3.953 1.00 0.00 H new ATOM 0 HA GLN A 135 -9.660 4.927 -2.831 1.00 0.00 H new ATOM 0 HB2 GLN A 135 -11.032 6.028 -5.327 1.00 0.00 H new ATOM 0 HB3 GLN A 135 -10.892 4.319 -4.963 1.00 0.00 H new ATOM 0 HG2 GLN A 135 -12.108 4.646 -2.814 1.00 0.00 H new ATOM 0 HG3 GLN A 135 -12.185 6.374 -3.095 1.00 0.00 H new ATOM 0 HE21 GLN A 135 -14.341 4.109 -2.978 1.00 0.00 H new ATOM 0 HE22 GLN A 135 -15.282 4.384 -4.448 1.00 0.00 H new ATOM 1202 N VAL A 136 -7.969 4.080 -4.518 1.00 0.00 N ATOM 1203 CA VAL A 136 -6.791 3.695 -5.296 1.00 0.00 C ATOM 1204 C VAL A 136 -7.194 2.798 -6.459 1.00 0.00 C ATOM 1205 O VAL A 136 -7.782 1.736 -6.263 1.00 0.00 O ATOM 1206 CB VAL A 136 -5.798 2.953 -4.399 1.00 0.00 C ATOM 1207 CG1 VAL A 136 -4.545 2.613 -5.206 1.00 0.00 C ATOM 1208 CG2 VAL A 136 -5.416 3.845 -3.216 1.00 0.00 C ATOM 0 H VAL A 136 -8.372 3.328 -3.959 1.00 0.00 H new ATOM 0 HA VAL A 136 -6.323 4.597 -5.690 1.00 0.00 H new ATOM 0 HB VAL A 136 -6.254 2.035 -4.029 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -3.835 2.084 -4.570 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -4.817 1.980 -6.051 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -4.088 3.532 -5.573 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -4.709 3.318 -2.576 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -4.957 4.762 -3.585 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -6.310 4.092 -2.643 1.00 0.00 H new ATOM 1218 N ASN A 137 -6.870 3.237 -7.671 1.00 0.00 N ATOM 1219 CA ASN A 137 -7.195 2.470 -8.874 1.00 0.00 C ATOM 1220 C ASN A 137 -5.992 1.644 -9.318 1.00 0.00 C ATOM 1221 O ASN A 137 -4.962 1.614 -8.642 1.00 0.00 O ATOM 1222 CB ASN A 137 -7.618 3.414 -10.002 1.00 0.00 C ATOM 1223 CG ASN A 137 -6.678 4.610 -10.063 1.00 0.00 C ATOM 1224 OD1 ASN A 137 -6.345 5.192 -9.032 1.00 0.00 O ATOM 1225 ND2 ASN A 137 -6.227 5.014 -11.217 1.00 0.00 N ATOM 0 H ASN A 137 -6.384 4.116 -7.849 1.00 0.00 H new ATOM 0 HA ASN A 137 -8.020 1.796 -8.643 1.00 0.00 H new ATOM 0 HB2 ASN A 137 -7.607 2.884 -10.954 1.00 0.00 H new ATOM 0 HB3 ASN A 137 -8.641 3.753 -9.838 1.00 0.00 H new ATOM 0 HD21 ASN A 137 -5.597 5.814 -11.266 1.00 0.00 H new ATOM 0 HD22 ASN A 137 -6.504 4.530 -12.071 1.00 0.00 H new ATOM 1232 N TYR A 138 -6.135 0.967 -10.450 1.00 0.00 N ATOM 1233 CA TYR A 138 -5.059 0.135 -10.973 1.00 0.00 C ATOM 1234 C TYR A 138 -3.823 0.976 -11.271 1.00 0.00 C ATOM 1235 O TYR A 138 -2.707 0.609 -10.905 1.00 0.00 O ATOM 1236 CB TYR A 138 -5.515 -0.564 -12.252 1.00 0.00 C ATOM 1237 CG TYR A 138 -4.376 -1.383 -12.815 1.00 0.00 C ATOM 1238 CD1 TYR A 138 -4.040 -2.610 -12.227 1.00 0.00 C ATOM 1239 CD2 TYR A 138 -3.654 -0.917 -13.920 1.00 0.00 C ATOM 1240 CE1 TYR A 138 -2.984 -3.369 -12.745 1.00 0.00 C ATOM 1241 CE2 TYR A 138 -2.599 -1.676 -14.439 1.00 0.00 C ATOM 1242 CZ TYR A 138 -2.263 -2.902 -13.852 1.00 0.00 C ATOM 1243 OH TYR A 138 -1.222 -3.650 -14.362 1.00 0.00 O ATOM 0 H TYR A 138 -6.980 0.977 -11.021 1.00 0.00 H new ATOM 0 HA TYR A 138 -4.806 -0.610 -10.218 1.00 0.00 H new ATOM 0 HB2 TYR A 138 -6.370 -1.207 -12.042 1.00 0.00 H new ATOM 0 HB3 TYR A 138 -5.843 0.173 -12.985 1.00 0.00 H new ATOM 0 HD1 TYR A 138 -4.596 -2.970 -11.374 1.00 0.00 H new ATOM 0 HD2 TYR A 138 -3.911 0.029 -14.372 1.00 0.00 H new ATOM 0 HE1 TYR A 138 -2.725 -4.314 -12.291 1.00 0.00 H new ATOM 0 HE2 TYR A 138 -2.044 -1.316 -15.293 1.00 0.00 H new ATOM 0 HH TYR A 138 -0.829 -3.184 -15.129 1.00 0.00 H new ATOM 1253 N GLU A 139 -4.030 2.104 -11.937 1.00 0.00 N ATOM 1254 CA GLU A 139 -2.921 2.990 -12.282 1.00 0.00 C ATOM 1255 C GLU A 139 -2.222 3.498 -11.025 1.00 0.00 C ATOM 1256 O GLU A 139 -0.993 3.544 -10.964 1.00 0.00 O ATOM 1257 CB GLU A 139 -3.438 4.181 -13.093 1.00 0.00 C ATOM 1258 CG GLU A 139 -3.889 3.705 -14.474 1.00 0.00 C ATOM 1259 CD GLU A 139 -4.529 4.857 -15.241 1.00 0.00 C ATOM 1260 OE1 GLU A 139 -4.611 5.940 -14.685 1.00 0.00 O ATOM 1261 OE2 GLU A 139 -4.929 4.640 -16.372 1.00 0.00 O ATOM 0 H GLU A 139 -4.946 2.427 -12.248 1.00 0.00 H new ATOM 0 HA GLU A 139 -2.204 2.424 -12.877 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -4.269 4.655 -12.571 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -2.655 4.932 -13.194 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -3.036 3.317 -15.030 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -4.601 2.886 -14.371 1.00 0.00 H new ATOM 1268 N GLU A 140 -3.010 3.875 -10.026 1.00 0.00 N ATOM 1269 CA GLU A 140 -2.451 4.376 -8.777 1.00 0.00 C ATOM 1270 C GLU A 140 -1.839 3.237 -7.972 1.00 0.00 C ATOM 1271 O GLU A 140 -0.801 3.406 -7.333 1.00 0.00 O ATOM 1272 CB GLU A 140 -3.545 5.055 -7.951 1.00 0.00 C ATOM 1273 CG GLU A 140 -3.895 6.407 -8.576 1.00 0.00 C ATOM 1274 CD GLU A 140 -4.998 7.084 -7.772 1.00 0.00 C ATOM 1275 OE1 GLU A 140 -5.692 6.388 -7.051 1.00 0.00 O ATOM 1276 OE2 GLU A 140 -5.133 8.290 -7.889 1.00 0.00 O ATOM 0 H GLU A 140 -4.029 3.844 -10.055 1.00 0.00 H new ATOM 0 HA GLU A 140 -1.672 5.100 -9.013 1.00 0.00 H new ATOM 0 HB2 GLU A 140 -4.431 4.421 -7.911 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -3.206 5.194 -6.924 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -3.011 7.044 -8.603 1.00 0.00 H new ATOM 0 HG3 GLU A 140 -4.219 6.267 -9.607 1.00 0.00 H new ATOM 1283 N PHE A 141 -2.490 2.077 -7.996 1.00 0.00 N ATOM 1284 CA PHE A 141 -1.992 0.924 -7.253 1.00 0.00 C ATOM 1285 C PHE A 141 -0.608 0.523 -7.756 1.00 0.00 C ATOM 1286 O PHE A 141 0.328 0.378 -6.971 1.00 0.00 O ATOM 1287 CB PHE A 141 -2.957 -0.250 -7.423 1.00 0.00 C ATOM 1288 CG PHE A 141 -2.477 -1.421 -6.598 1.00 0.00 C ATOM 1289 CD1 PHE A 141 -2.570 -1.374 -5.202 1.00 0.00 C ATOM 1290 CD2 PHE A 141 -1.943 -2.553 -7.225 1.00 0.00 C ATOM 1291 CE1 PHE A 141 -2.129 -2.457 -4.435 1.00 0.00 C ATOM 1292 CE2 PHE A 141 -1.502 -3.635 -6.458 1.00 0.00 C ATOM 1293 CZ PHE A 141 -1.596 -3.588 -5.065 1.00 0.00 C ATOM 0 H PHE A 141 -3.352 1.911 -8.515 1.00 0.00 H new ATOM 0 HA PHE A 141 -1.919 1.191 -6.199 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -3.960 0.042 -7.111 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -3.020 -0.533 -8.474 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -2.982 -0.501 -4.717 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -1.872 -2.590 -8.302 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -2.199 -2.421 -3.358 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -1.089 -4.507 -6.942 1.00 0.00 H new ATOM 0 HZ PHE A 141 -1.257 -4.425 -4.473 1.00 0.00 H new ATOM 1303 N VAL A 142 -0.488 0.337 -9.067 1.00 0.00 N ATOM 1304 CA VAL A 142 0.785 -0.061 -9.650 1.00 0.00 C ATOM 1305 C VAL A 142 1.860 0.966 -9.320 1.00 0.00 C ATOM 1306 O VAL A 142 2.959 0.610 -8.899 1.00 0.00 O ATOM 1307 CB VAL A 142 0.645 -0.178 -11.172 1.00 0.00 C ATOM 1308 CG1 VAL A 142 2.016 -0.437 -11.802 1.00 0.00 C ATOM 1309 CG2 VAL A 142 -0.297 -1.333 -11.515 1.00 0.00 C ATOM 0 H VAL A 142 -1.248 0.454 -9.737 1.00 0.00 H new ATOM 0 HA VAL A 142 1.073 -1.026 -9.234 1.00 0.00 H new ATOM 0 HB VAL A 142 0.237 0.754 -11.564 1.00 0.00 H new ATOM 0 HG11 VAL A 142 1.910 -0.519 -12.884 1.00 0.00 H new ATOM 0 HG12 VAL A 142 2.687 0.389 -11.565 1.00 0.00 H new ATOM 0 HG13 VAL A 142 2.429 -1.365 -11.406 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -0.395 -1.414 -12.598 1.00 0.00 H new ATOM 0 HG22 VAL A 142 0.108 -2.263 -11.117 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -1.277 -1.146 -11.075 1.00 0.00 H new ATOM 1319 N GLN A 143 1.539 2.241 -9.508 1.00 0.00 N ATOM 1320 CA GLN A 143 2.489 3.306 -9.219 1.00 0.00 C ATOM 1321 C GLN A 143 2.784 3.378 -7.724 1.00 0.00 C ATOM 1322 O GLN A 143 3.934 3.522 -7.317 1.00 0.00 O ATOM 1323 CB GLN A 143 1.926 4.646 -9.692 1.00 0.00 C ATOM 1324 CG GLN A 143 1.900 4.678 -11.221 1.00 0.00 C ATOM 1325 CD GLN A 143 3.314 4.864 -11.760 1.00 0.00 C ATOM 1326 OE1 GLN A 143 3.773 4.075 -12.587 1.00 0.00 O ATOM 1327 NE2 GLN A 143 4.035 5.867 -11.341 1.00 0.00 N ATOM 0 H GLN A 143 0.635 2.560 -9.857 1.00 0.00 H new ATOM 0 HA GLN A 143 3.417 3.090 -9.748 1.00 0.00 H new ATOM 0 HB2 GLN A 143 0.920 4.789 -9.298 1.00 0.00 H new ATOM 0 HB3 GLN A 143 2.537 5.464 -9.311 1.00 0.00 H new ATOM 0 HG2 GLN A 143 1.474 3.751 -11.606 1.00 0.00 H new ATOM 0 HG3 GLN A 143 1.260 5.490 -11.566 1.00 0.00 H new ATOM 0 HE21 GLN A 143 3.653 6.519 -10.656 1.00 0.00 H new ATOM 0 HE22 GLN A 143 4.981 5.999 -11.698 1.00 0.00 H new ATOM 1336 N MET A 144 1.736 3.286 -6.915 1.00 0.00 N ATOM 1337 CA MET A 144 1.891 3.362 -5.469 1.00 0.00 C ATOM 1338 C MET A 144 2.858 2.294 -4.982 1.00 0.00 C ATOM 1339 O MET A 144 3.618 2.515 -4.042 1.00 0.00 O ATOM 1340 CB MET A 144 0.534 3.171 -4.784 1.00 0.00 C ATOM 1341 CG MET A 144 0.708 3.233 -3.260 1.00 0.00 C ATOM 1342 SD MET A 144 1.202 1.605 -2.640 1.00 0.00 S ATOM 1343 CE MET A 144 -0.463 0.933 -2.422 1.00 0.00 C ATOM 0 H MET A 144 0.775 3.159 -7.234 1.00 0.00 H new ATOM 0 HA MET A 144 2.289 4.345 -5.217 1.00 0.00 H new ATOM 0 HB2 MET A 144 -0.161 3.944 -5.112 1.00 0.00 H new ATOM 0 HB3 MET A 144 0.103 2.212 -5.071 1.00 0.00 H new ATOM 0 HG2 MET A 144 1.461 3.977 -3.000 1.00 0.00 H new ATOM 0 HG3 MET A 144 -0.224 3.545 -2.790 1.00 0.00 H new ATOM 0 HE1 MET A 144 -0.397 -0.085 -2.039 1.00 0.00 H new ATOM 0 HE2 MET A 144 -1.015 1.552 -1.715 1.00 0.00 H new ATOM 0 HE3 MET A 144 -0.981 0.927 -3.381 1.00 0.00 H new ATOM 1353 N MET A 145 2.832 1.137 -5.634 1.00 0.00 N ATOM 1354 CA MET A 145 3.725 0.039 -5.268 1.00 0.00 C ATOM 1355 C MET A 145 5.006 0.090 -6.089 1.00 0.00 C ATOM 1356 O MET A 145 6.073 -0.291 -5.612 1.00 0.00 O ATOM 1357 CB MET A 145 3.024 -1.302 -5.487 1.00 0.00 C ATOM 1358 CG MET A 145 1.991 -1.523 -4.379 1.00 0.00 C ATOM 1359 SD MET A 145 1.266 -3.169 -4.557 1.00 0.00 S ATOM 1360 CE MET A 145 0.723 -3.361 -2.842 1.00 0.00 C ATOM 0 H MET A 145 2.207 0.934 -6.414 1.00 0.00 H new ATOM 0 HA MET A 145 3.982 0.143 -4.214 1.00 0.00 H new ATOM 0 HB2 MET A 145 2.536 -1.315 -6.462 1.00 0.00 H new ATOM 0 HB3 MET A 145 3.754 -2.111 -5.485 1.00 0.00 H new ATOM 0 HG2 MET A 145 2.463 -1.425 -3.401 1.00 0.00 H new ATOM 0 HG3 MET A 145 1.212 -0.762 -4.435 1.00 0.00 H new ATOM 0 HE1 MET A 145 0.129 -4.270 -2.748 1.00 0.00 H new ATOM 0 HE2 MET A 145 1.594 -3.427 -2.190 1.00 0.00 H new ATOM 0 HE3 MET A 145 0.118 -2.501 -2.553 1.00 0.00 H new ATOM 1370 N THR A 146 4.896 0.558 -7.328 1.00 0.00 N ATOM 1371 CA THR A 146 6.056 0.648 -8.212 1.00 0.00 C ATOM 1372 C THR A 146 6.670 2.044 -8.145 1.00 0.00 C ATOM 1373 O THR A 146 7.509 2.408 -8.967 1.00 0.00 O ATOM 1374 CB THR A 146 5.640 0.332 -9.654 1.00 0.00 C ATOM 1375 OG1 THR A 146 4.732 -0.762 -9.657 1.00 0.00 O ATOM 1376 CG2 THR A 146 6.873 -0.024 -10.493 1.00 0.00 C ATOM 0 H THR A 146 4.021 0.880 -7.742 1.00 0.00 H new ATOM 0 HA THR A 146 6.800 -0.078 -7.885 1.00 0.00 H new ATOM 0 HB THR A 146 5.158 1.210 -10.085 1.00 0.00 H new ATOM 0 HG1 THR A 146 3.854 -0.459 -9.345 1.00 0.00 H new ATOM 0 HG21 THR A 146 6.566 -0.247 -11.515 1.00 0.00 H new ATOM 0 HG22 THR A 146 7.566 0.818 -10.497 1.00 0.00 H new ATOM 0 HG23 THR A 146 7.365 -0.897 -10.064 1.00 0.00 H new ATOM 1384 N ALA A 147 6.248 2.819 -7.159 1.00 0.00 N ATOM 1385 CA ALA A 147 6.765 4.173 -6.997 1.00 0.00 C ATOM 1386 C ALA A 147 8.271 4.140 -6.774 1.00 0.00 C ATOM 1387 O ALA A 147 8.790 3.226 -6.136 1.00 0.00 O ATOM 1388 CB ALA A 147 6.090 4.853 -5.806 1.00 0.00 C ATOM 0 H ALA A 147 5.556 2.540 -6.464 1.00 0.00 H new ATOM 0 HA ALA A 147 6.550 4.736 -7.905 1.00 0.00 H new ATOM 0 HB1 ALA A 147 6.483 5.863 -5.693 1.00 0.00 H new ATOM 0 HB2 ALA A 147 5.014 4.899 -5.975 1.00 0.00 H new ATOM 0 HB3 ALA A 147 6.291 4.282 -4.899 1.00 0.00 H new ATOM 1394 N LYS A 148 8.969 5.143 -7.307 1.00 0.00 N ATOM 1395 CA LYS A 148 10.425 5.225 -7.163 1.00 0.00 C ATOM 1396 C LYS A 148 10.812 6.482 -6.393 1.00 0.00 C ATOM 1397 O LYS A 148 11.533 6.354 -5.417 1.00 0.00 O ATOM 1398 CB LYS A 148 11.080 5.249 -8.543 1.00 0.00 C ATOM 1399 CG LYS A 148 12.599 5.163 -8.382 1.00 0.00 C ATOM 1400 CD LYS A 148 13.258 5.136 -9.762 1.00 0.00 C ATOM 1401 CE LYS A 148 14.775 5.025 -9.600 1.00 0.00 C ATOM 1402 NZ LYS A 148 15.304 6.284 -9.005 1.00 0.00 N ATOM 1403 OXT LYS A 148 10.380 7.553 -6.786 1.00 0.00 O ATOM 0 H LYS A 148 8.554 5.907 -7.840 1.00 0.00 H new ATOM 0 HA LYS A 148 10.771 4.352 -6.610 1.00 0.00 H new ATOM 0 HB2 LYS A 148 10.719 4.415 -9.145 1.00 0.00 H new ATOM 0 HB3 LYS A 148 10.810 6.164 -9.071 1.00 0.00 H new ATOM 0 HG2 LYS A 148 12.964 6.016 -7.810 1.00 0.00 H new ATOM 0 HG3 LYS A 148 12.866 4.267 -7.822 1.00 0.00 H new ATOM 0 HD2 LYS A 148 12.881 4.293 -10.341 1.00 0.00 H new ATOM 0 HD3 LYS A 148 13.006 6.041 -10.315 1.00 0.00 H new ATOM 0 HE2 LYS A 148 15.022 4.177 -8.962 1.00 0.00 H new ATOM 0 HE3 LYS A 148 15.243 4.843 -10.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 16.332 6.334 -9.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 14.847 7.101 -9.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 15.103 6.297 -7.985 1.00 0.00 H new TER 1417 LYS A 148 HETATM 1418 CA CA A 149 -13.384 -3.293 -4.596 1.00 0.00 CA HETATM 1419 CA CA A 150 -7.556 8.085 -7.256 1.00 0.00 CA