USER MOD reduce.3.24.130724 H: found=0, std=0, add=957, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 957 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 106 TYR OH : rot 56:sc= 0.506 USER MOD Set 1.2: A 115 HIS : no HE2:sc= 0.281 K(o=0.79,f=-0.34) USER MOD Set 2.1: A 17 HIS : no HD1:sc= 0.135 K(o=0.48,f=-3!) USER MOD Set 2.2: A 84 TYR OH : rot 74:sc= 0.341 USER MOD Set 3.1: A 4 ASN : amide:sc= -0.137 K(o=-0.18,f=-2.6!) USER MOD Set 3.2: A 5 ASN :FLIP amide:sc= -0.0431 F(o=-2.2!,f=-0.18) USER MOD Single : A 1 SER N :NH3+ -118:sc= 0.113 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 15:sc= 0.401 USER MOD Single : A 3 ASN : amide:sc= -0.91 K(o=-0.91,f=-12!) USER MOD Single : A 6 SER OG : rot 90:sc= 0.0422 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 66:sc= 0.0182 USER MOD Single : A 12 LYS NZ :NH3+ -162:sc= -0.0314 (180deg=-0.276) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -126:sc= 1.08 (180deg=-0.218) USER MOD Single : A 19 LYS NZ :NH3+ -169:sc= -0.0232 (180deg=-0.214) USER MOD Single : A 20 GLN : amide:sc= 0.231 K(o=0.23,f=-0.49) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 110:sc= 0.502 USER MOD Single : A 28 THR OG1 : rot 90:sc= 1.24 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl -153:sc= -0.39 (180deg=-1.5!) USER MOD Single : A 48 GLN : amide:sc= 0.813 K(o=0.81,f=-0.7) USER MOD Single : A 53 MET CE :methyl 162:sc= -0.084 (180deg=-0.527) USER MOD Single : A 54 GLN : amide:sc= -1.27 K(o=-1.3,f=-4.6!) USER MOD Single : A 68 MET CE :methyl -127:sc= -0.437 (180deg=-1.41!) USER MOD Single : A 72 ASN : amide:sc= -0.0159 K(o=-0.016,f=-0.95) USER MOD Single : A 73 LYS NZ :NH3+ -174:sc=-0.00444 (180deg=-0.0617) USER MOD Single : A 78 CYS SG : rot 79:sc= 0.561 USER MOD Single : A 88 THR OG1 : rot 70:sc= 0.901 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.399 K(o=-0.4,f=-2.3!) USER MOD Single : A 103 MET CE :methyl -134:sc= -4.34! (180deg=-4.54!) USER MOD Single : A 104 LYS NZ :NH3+ -164:sc= -0.0325 (180deg=-0.252) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ -162:sc= 2.15 (180deg=1.28) USER MOD Single : A 110 ASN : amide:sc= -0.0347 K(o=-0.035,f=-1.4!) USER MOD Single : A 113 HIS : no HD1:sc= -0.18 X(o=-0.18,f=0) USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=-0.0031) USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 118 HIS : no HD1:sc= -0.0447 X(o=-0.045,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 2.032 -10.831 19.956 1.00 0.00 N ATOM 2 CA SER A 1 2.557 -9.757 19.090 1.00 0.00 C ATOM 3 C SER A 1 2.466 -8.411 19.797 1.00 0.00 C ATOM 4 O SER A 1 1.889 -8.309 20.880 1.00 0.00 O ATOM 5 CB SER A 1 1.761 -9.713 17.785 1.00 0.00 C ATOM 6 OG SER A 1 1.797 -10.967 17.124 1.00 0.00 O ATOM 0 H1 SER A 1 2.790 -11.513 20.162 1.00 0.00 H new ATOM 0 H2 SER A 1 1.685 -10.421 20.846 1.00 0.00 H new ATOM 0 H3 SER A 1 1.251 -11.317 19.471 1.00 0.00 H new ATOM 0 HA SER A 1 3.604 -9.964 18.869 1.00 0.00 H new ATOM 0 HB2 SER A 1 0.727 -9.438 17.995 1.00 0.00 H new ATOM 0 HB3 SER A 1 2.169 -8.942 17.132 1.00 0.00 H new ATOM 0 HG SER A 1 1.280 -10.914 16.293 1.00 0.00 H new ATOM 14 N SER A 2 3.040 -7.386 19.188 1.00 0.00 N ATOM 15 CA SER A 2 2.948 -6.032 19.706 1.00 0.00 C ATOM 16 C SER A 2 1.813 -5.303 18.984 1.00 0.00 C ATOM 17 O SER A 2 0.819 -5.928 18.594 1.00 0.00 O ATOM 18 CB SER A 2 4.288 -5.314 19.494 1.00 0.00 C ATOM 19 OG SER A 2 4.343 -4.076 20.188 1.00 0.00 O ATOM 0 H SER A 2 3.579 -7.469 18.326 1.00 0.00 H new ATOM 0 HA SER A 2 2.733 -6.045 20.774 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.101 -5.956 19.833 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.442 -5.140 18.429 1.00 0.00 H new ATOM 0 HG SER A 2 3.619 -4.038 20.847 1.00 0.00 H new ATOM 25 N ASN A 3 1.947 -3.993 18.820 1.00 0.00 N ATOM 26 CA ASN A 3 0.984 -3.222 18.047 1.00 0.00 C ATOM 27 C ASN A 3 1.108 -3.585 16.570 1.00 0.00 C ATOM 28 O ASN A 3 1.905 -2.999 15.833 1.00 0.00 O ATOM 29 CB ASN A 3 1.197 -1.715 18.247 1.00 0.00 C ATOM 30 CG ASN A 3 0.139 -0.859 17.556 1.00 0.00 C ATOM 31 OD1 ASN A 3 -0.457 -1.260 16.557 1.00 0.00 O ATOM 32 ND2 ASN A 3 -0.095 0.334 18.082 1.00 0.00 N ATOM 0 H ASN A 3 2.712 -3.444 19.212 1.00 0.00 H new ATOM 0 HA ASN A 3 -0.019 -3.466 18.396 1.00 0.00 H new ATOM 0 HB2 ASN A 3 1.194 -1.493 19.314 1.00 0.00 H new ATOM 0 HB3 ASN A 3 2.181 -1.441 17.867 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -0.787 0.951 17.658 1.00 0.00 H new ATOM 0 HD22 ASN A 3 0.417 0.635 18.911 1.00 0.00 H new ATOM 39 N ASN A 4 0.332 -4.573 16.153 1.00 0.00 N ATOM 40 CA ASN A 4 0.343 -5.028 14.770 1.00 0.00 C ATOM 41 C ASN A 4 -0.726 -4.313 13.957 1.00 0.00 C ATOM 42 O ASN A 4 -1.125 -4.773 12.889 1.00 0.00 O ATOM 43 CB ASN A 4 0.154 -6.549 14.689 1.00 0.00 C ATOM 44 CG ASN A 4 -0.998 -7.057 15.537 1.00 0.00 C ATOM 45 OD1 ASN A 4 -1.951 -6.333 15.826 1.00 0.00 O ATOM 46 ND2 ASN A 4 -0.922 -8.316 15.935 1.00 0.00 N ATOM 0 H ASN A 4 -0.317 -5.078 16.756 1.00 0.00 H new ATOM 0 HA ASN A 4 1.317 -4.784 14.346 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -0.016 -6.832 13.650 1.00 0.00 H new ATOM 0 HB3 ASN A 4 1.074 -7.040 15.007 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -1.669 -8.718 16.501 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -0.116 -8.885 15.676 1.00 0.00 H new ATOM 53 N ASN A 5 -1.179 -3.172 14.463 1.00 0.00 N ATOM 54 CA ASN A 5 -2.114 -2.332 13.727 1.00 0.00 C ATOM 55 C ASN A 5 -1.337 -1.415 12.797 1.00 0.00 C ATOM 56 O ASN A 5 -1.913 -0.635 12.041 1.00 0.00 O ATOM 57 CB ASN A 5 -2.994 -1.508 14.678 1.00 0.00 C ATOM 58 CG ASN A 5 -4.055 -2.340 15.385 1.00 0.00 C ATOM 59 OD1 ASN A 5 -3.774 -3.618 15.601 1.00 0.00 O flip ATOM 60 ND2 ASN A 5 -5.125 -1.837 15.729 1.00 0.00 N flip ATOM 0 H ASN A 5 -0.914 -2.808 15.378 1.00 0.00 H new ATOM 0 HA ASN A 5 -2.774 -2.973 13.143 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -2.361 -1.028 15.424 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -3.481 -0.713 14.114 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -5.307 -0.850 15.546 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -5.830 -2.407 16.197 1.00 0.00 H new ATOM 67 N SER A 6 -0.015 -1.518 12.876 1.00 0.00 N ATOM 68 CA SER A 6 0.871 -0.807 11.976 1.00 0.00 C ATOM 69 C SER A 6 0.749 -1.386 10.569 1.00 0.00 C ATOM 70 O SER A 6 0.587 -2.601 10.403 1.00 0.00 O ATOM 71 CB SER A 6 2.316 -0.912 12.474 1.00 0.00 C ATOM 72 OG SER A 6 2.425 -0.477 13.821 1.00 0.00 O ATOM 0 H SER A 6 0.467 -2.096 13.565 1.00 0.00 H new ATOM 0 HA SER A 6 0.588 0.245 11.949 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.658 -1.944 12.393 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.967 -0.310 11.840 1.00 0.00 H new ATOM 0 HG SER A 6 2.283 -1.237 14.423 1.00 0.00 H new ATOM 78 N PHE A 7 0.831 -0.523 9.566 1.00 0.00 N ATOM 79 CA PHE A 7 0.622 -0.927 8.180 1.00 0.00 C ATOM 80 C PHE A 7 1.608 -2.018 7.757 1.00 0.00 C ATOM 81 O PHE A 7 1.222 -2.981 7.097 1.00 0.00 O ATOM 82 CB PHE A 7 0.744 0.286 7.255 1.00 0.00 C ATOM 83 CG PHE A 7 0.203 0.048 5.872 1.00 0.00 C ATOM 84 CD1 PHE A 7 -1.139 0.253 5.601 1.00 0.00 C ATOM 85 CD2 PHE A 7 1.031 -0.381 4.849 1.00 0.00 C ATOM 86 CE1 PHE A 7 -1.647 0.036 4.335 1.00 0.00 C ATOM 87 CE2 PHE A 7 0.530 -0.601 3.582 1.00 0.00 C ATOM 88 CZ PHE A 7 -0.810 -0.392 3.323 1.00 0.00 C ATOM 0 H PHE A 7 1.042 0.468 9.686 1.00 0.00 H new ATOM 0 HA PHE A 7 -0.383 -1.340 8.100 1.00 0.00 H new ATOM 0 HB2 PHE A 7 0.215 1.128 7.702 1.00 0.00 H new ATOM 0 HB3 PHE A 7 1.793 0.571 7.181 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -1.797 0.587 6.390 1.00 0.00 H new ATOM 0 HD2 PHE A 7 2.080 -0.545 5.044 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -2.696 0.201 4.137 1.00 0.00 H new ATOM 0 HE2 PHE A 7 1.186 -0.937 2.793 1.00 0.00 H new ATOM 0 HZ PHE A 7 -1.203 -0.563 2.332 1.00 0.00 H new ATOM 98 N SER A 8 2.870 -1.873 8.152 1.00 0.00 N ATOM 99 CA SER A 8 3.909 -2.835 7.784 1.00 0.00 C ATOM 100 C SER A 8 3.604 -4.226 8.345 1.00 0.00 C ATOM 101 O SER A 8 3.932 -5.243 7.728 1.00 0.00 O ATOM 102 CB SER A 8 5.275 -2.350 8.286 1.00 0.00 C ATOM 103 OG SER A 8 6.327 -3.175 7.811 1.00 0.00 O ATOM 0 H SER A 8 3.200 -1.098 8.728 1.00 0.00 H new ATOM 0 HA SER A 8 3.931 -2.910 6.697 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.440 -1.323 7.959 1.00 0.00 H new ATOM 0 HB3 SER A 8 5.281 -2.342 9.376 1.00 0.00 H new ATOM 0 HG SER A 8 7.184 -2.839 8.147 1.00 0.00 H new ATOM 109 N ALA A 9 2.956 -4.271 9.504 1.00 0.00 N ATOM 110 CA ALA A 9 2.638 -5.539 10.147 1.00 0.00 C ATOM 111 C ALA A 9 1.552 -6.277 9.377 1.00 0.00 C ATOM 112 O ALA A 9 1.673 -7.470 9.096 1.00 0.00 O ATOM 113 CB ALA A 9 2.212 -5.311 11.588 1.00 0.00 C ATOM 0 H ALA A 9 2.642 -3.446 10.015 1.00 0.00 H new ATOM 0 HA ALA A 9 3.535 -6.158 10.146 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.978 -6.268 12.054 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.022 -4.830 12.135 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.330 -4.672 11.610 1.00 0.00 H new ATOM 119 N ILE A 10 0.496 -5.557 9.024 1.00 0.00 N ATOM 120 CA ILE A 10 -0.600 -6.136 8.258 1.00 0.00 C ATOM 121 C ILE A 10 -0.154 -6.425 6.828 1.00 0.00 C ATOM 122 O ILE A 10 -0.585 -7.406 6.221 1.00 0.00 O ATOM 123 CB ILE A 10 -1.839 -5.214 8.266 1.00 0.00 C ATOM 124 CG1 ILE A 10 -2.326 -5.031 9.706 1.00 0.00 C ATOM 125 CG2 ILE A 10 -2.950 -5.787 7.392 1.00 0.00 C ATOM 126 CD1 ILE A 10 -3.480 -4.067 9.850 1.00 0.00 C ATOM 0 H ILE A 10 0.375 -4.571 9.256 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.883 -7.076 8.733 1.00 0.00 H new ATOM 0 HB ILE A 10 -1.561 -4.244 7.854 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.626 -6.001 10.103 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.495 -4.680 10.317 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.811 -5.119 7.414 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.593 -5.884 6.367 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.241 -6.767 7.769 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.764 -3.994 10.900 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.181 -3.084 9.486 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.329 -4.426 9.268 1.00 0.00 H new ATOM 138 N TYR A 11 0.728 -5.577 6.306 1.00 0.00 N ATOM 139 CA TYR A 11 1.349 -5.814 5.006 1.00 0.00 C ATOM 140 C TYR A 11 2.057 -7.166 4.992 1.00 0.00 C ATOM 141 O TYR A 11 1.986 -7.899 4.009 1.00 0.00 O ATOM 142 CB TYR A 11 2.337 -4.684 4.669 1.00 0.00 C ATOM 143 CG TYR A 11 3.533 -5.129 3.850 1.00 0.00 C ATOM 144 CD1 TYR A 11 3.415 -5.427 2.496 1.00 0.00 C ATOM 145 CD2 TYR A 11 4.781 -5.270 4.444 1.00 0.00 C ATOM 146 CE1 TYR A 11 4.509 -5.849 1.763 1.00 0.00 C ATOM 147 CE2 TYR A 11 5.875 -5.693 3.718 1.00 0.00 C ATOM 148 CZ TYR A 11 5.736 -5.981 2.381 1.00 0.00 C ATOM 149 OH TYR A 11 6.825 -6.413 1.663 1.00 0.00 O ATOM 0 H TYR A 11 1.029 -4.717 6.765 1.00 0.00 H new ATOM 0 HA TYR A 11 0.568 -5.827 4.246 1.00 0.00 H new ATOM 0 HB2 TYR A 11 1.807 -3.904 4.123 1.00 0.00 H new ATOM 0 HB3 TYR A 11 2.692 -4.238 5.598 1.00 0.00 H new ATOM 0 HD1 TYR A 11 2.455 -5.327 2.011 1.00 0.00 H new ATOM 0 HD2 TYR A 11 4.897 -5.044 5.494 1.00 0.00 H new ATOM 0 HE1 TYR A 11 4.404 -6.074 0.712 1.00 0.00 H new ATOM 0 HE2 TYR A 11 6.837 -5.797 4.198 1.00 0.00 H new ATOM 0 HH TYR A 11 7.051 -5.748 0.980 1.00 0.00 H new ATOM 159 N LYS A 12 2.727 -7.497 6.089 1.00 0.00 N ATOM 160 CA LYS A 12 3.459 -8.752 6.183 1.00 0.00 C ATOM 161 C LYS A 12 2.497 -9.936 6.158 1.00 0.00 C ATOM 162 O LYS A 12 2.750 -10.940 5.491 1.00 0.00 O ATOM 163 CB LYS A 12 4.314 -8.778 7.452 1.00 0.00 C ATOM 164 CG LYS A 12 5.296 -9.938 7.511 1.00 0.00 C ATOM 165 CD LYS A 12 6.138 -10.010 6.246 1.00 0.00 C ATOM 166 CE LYS A 12 7.328 -10.939 6.410 1.00 0.00 C ATOM 167 NZ LYS A 12 8.331 -10.385 7.358 1.00 0.00 N ATOM 0 H LYS A 12 2.778 -6.914 6.924 1.00 0.00 H new ATOM 0 HA LYS A 12 4.121 -8.832 5.321 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.868 -7.842 7.524 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.657 -8.827 8.320 1.00 0.00 H new ATOM 0 HG2 LYS A 12 5.946 -9.824 8.378 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.751 -10.873 7.642 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.520 -10.355 5.417 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.490 -9.011 5.987 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.985 -11.910 6.769 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.797 -11.105 5.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.242 -10.868 7.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.450 -9.367 7.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.004 -10.532 8.334 1.00 0.00 H new ATOM 181 N GLU A 13 1.388 -9.804 6.878 1.00 0.00 N ATOM 182 CA GLU A 13 0.350 -10.829 6.885 1.00 0.00 C ATOM 183 C GLU A 13 -0.246 -10.970 5.484 1.00 0.00 C ATOM 184 O GLU A 13 -0.403 -12.078 4.964 1.00 0.00 O ATOM 185 CB GLU A 13 -0.745 -10.458 7.889 1.00 0.00 C ATOM 186 CG GLU A 13 -1.779 -11.551 8.111 1.00 0.00 C ATOM 187 CD GLU A 13 -1.208 -12.758 8.827 1.00 0.00 C ATOM 188 OE1 GLU A 13 -1.062 -12.706 10.066 1.00 0.00 O ATOM 189 OE2 GLU A 13 -0.915 -13.771 8.166 1.00 0.00 O ATOM 0 H GLU A 13 1.184 -8.995 7.466 1.00 0.00 H new ATOM 0 HA GLU A 13 0.789 -11.781 7.181 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.280 -10.213 8.844 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -1.252 -9.558 7.541 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -2.609 -11.148 8.692 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -2.185 -11.863 7.149 1.00 0.00 H new ATOM 196 N TRP A 14 -0.555 -9.828 4.881 1.00 0.00 N ATOM 197 CA TRP A 14 -1.079 -9.773 3.522 1.00 0.00 C ATOM 198 C TRP A 14 -0.112 -10.438 2.544 1.00 0.00 C ATOM 199 O TRP A 14 -0.506 -11.306 1.756 1.00 0.00 O ATOM 200 CB TRP A 14 -1.325 -8.309 3.134 1.00 0.00 C ATOM 201 CG TRP A 14 -1.616 -8.094 1.679 1.00 0.00 C ATOM 202 CD1 TRP A 14 -2.792 -8.329 1.031 1.00 0.00 C ATOM 203 CD2 TRP A 14 -0.710 -7.580 0.696 1.00 0.00 C ATOM 204 NE1 TRP A 14 -2.667 -8.002 -0.297 1.00 0.00 N ATOM 205 CE2 TRP A 14 -1.400 -7.539 -0.528 1.00 0.00 C ATOM 206 CE3 TRP A 14 0.622 -7.156 0.731 1.00 0.00 C ATOM 207 CZ2 TRP A 14 -0.808 -7.086 -1.704 1.00 0.00 C ATOM 208 CZ3 TRP A 14 1.209 -6.707 -0.435 1.00 0.00 C ATOM 209 CH2 TRP A 14 0.495 -6.676 -1.640 1.00 0.00 C ATOM 0 H TRP A 14 -0.449 -8.914 5.321 1.00 0.00 H new ATOM 0 HA TRP A 14 -2.022 -10.318 3.477 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -2.161 -7.926 3.720 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -0.449 -7.721 3.407 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -3.689 -8.715 1.493 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -3.401 -8.090 -0.999 1.00 0.00 H new ATOM 0 HE3 TRP A 14 1.182 -7.179 1.654 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -1.358 -7.059 -2.633 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 2.236 -6.374 -0.418 1.00 0.00 H new ATOM 0 HH2 TRP A 14 0.983 -6.321 -2.536 1.00 0.00 H new ATOM 220 N TYR A 15 1.153 -10.038 2.614 1.00 0.00 N ATOM 221 CA TYR A 15 2.184 -10.572 1.738 1.00 0.00 C ATOM 222 C TYR A 15 2.305 -12.081 1.884 1.00 0.00 C ATOM 223 O TYR A 15 2.329 -12.795 0.890 1.00 0.00 O ATOM 224 CB TYR A 15 3.537 -9.913 2.022 1.00 0.00 C ATOM 225 CG TYR A 15 4.672 -10.523 1.231 1.00 0.00 C ATOM 226 CD1 TYR A 15 4.626 -10.573 -0.157 1.00 0.00 C ATOM 227 CD2 TYR A 15 5.779 -11.069 1.871 1.00 0.00 C ATOM 228 CE1 TYR A 15 5.651 -11.144 -0.884 1.00 0.00 C ATOM 229 CE2 TYR A 15 6.808 -11.644 1.148 1.00 0.00 C ATOM 230 CZ TYR A 15 6.739 -11.678 -0.228 1.00 0.00 C ATOM 231 OH TYR A 15 7.761 -12.247 -0.952 1.00 0.00 O ATOM 0 H TYR A 15 1.489 -9.339 3.276 1.00 0.00 H new ATOM 0 HA TYR A 15 1.889 -10.346 0.713 1.00 0.00 H new ATOM 0 HB2 TYR A 15 3.472 -8.850 1.791 1.00 0.00 H new ATOM 0 HB3 TYR A 15 3.758 -9.996 3.086 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.774 -10.158 -0.675 1.00 0.00 H new ATOM 0 HD2 TYR A 15 5.836 -11.044 2.949 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.601 -11.172 -1.962 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.662 -12.064 1.659 1.00 0.00 H new ATOM 0 HH TYR A 15 8.452 -12.575 -0.340 1.00 0.00 H new ATOM 241 N GLU A 16 2.364 -12.562 3.121 1.00 0.00 N ATOM 242 CA GLU A 16 2.571 -13.984 3.382 1.00 0.00 C ATOM 243 C GLU A 16 1.472 -14.835 2.749 1.00 0.00 C ATOM 244 O GLU A 16 1.738 -15.915 2.221 1.00 0.00 O ATOM 245 CB GLU A 16 2.635 -14.252 4.886 1.00 0.00 C ATOM 246 CG GLU A 16 2.954 -15.698 5.227 1.00 0.00 C ATOM 247 CD GLU A 16 2.983 -15.957 6.718 1.00 0.00 C ATOM 248 OE1 GLU A 16 1.911 -16.197 7.306 1.00 0.00 O ATOM 249 OE2 GLU A 16 4.079 -15.933 7.311 1.00 0.00 O ATOM 0 H GLU A 16 2.272 -11.989 3.960 1.00 0.00 H new ATOM 0 HA GLU A 16 3.522 -14.264 2.929 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.392 -13.606 5.331 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.680 -13.982 5.337 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.211 -16.348 4.764 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.920 -15.963 4.798 1.00 0.00 H new ATOM 256 N HIS A 17 0.242 -14.340 2.786 1.00 0.00 N ATOM 257 CA HIS A 17 -0.891 -15.080 2.238 1.00 0.00 C ATOM 258 C HIS A 17 -0.867 -15.059 0.717 1.00 0.00 C ATOM 259 O HIS A 17 -1.017 -16.099 0.072 1.00 0.00 O ATOM 260 CB HIS A 17 -2.218 -14.515 2.754 1.00 0.00 C ATOM 261 CG HIS A 17 -2.461 -14.792 4.206 1.00 0.00 C ATOM 262 ND1 HIS A 17 -3.700 -15.080 4.722 1.00 0.00 N ATOM 263 CD2 HIS A 17 -1.611 -14.797 5.256 1.00 0.00 C ATOM 264 CE1 HIS A 17 -3.603 -15.253 6.026 1.00 0.00 C ATOM 265 NE2 HIS A 17 -2.342 -15.088 6.376 1.00 0.00 N ATOM 0 H HIS A 17 0.002 -13.434 3.187 1.00 0.00 H new ATOM 0 HA HIS A 17 -0.804 -16.114 2.572 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -2.233 -13.437 2.590 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -3.035 -14.938 2.170 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -0.549 -14.606 5.219 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -4.418 -15.490 6.694 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -1.973 -15.165 7.324 1.00 0.00 H new ATOM 274 N LYS A 18 -0.655 -13.880 0.144 1.00 0.00 N ATOM 275 CA LYS A 18 -0.584 -13.736 -1.308 1.00 0.00 C ATOM 276 C LYS A 18 0.667 -14.412 -1.863 1.00 0.00 C ATOM 277 O LYS A 18 0.704 -14.815 -3.024 1.00 0.00 O ATOM 278 CB LYS A 18 -0.597 -12.259 -1.705 1.00 0.00 C ATOM 279 CG LYS A 18 -1.978 -11.615 -1.681 1.00 0.00 C ATOM 280 CD LYS A 18 -2.939 -12.342 -2.612 1.00 0.00 C ATOM 281 CE LYS A 18 -4.121 -11.469 -3.010 1.00 0.00 C ATOM 282 NZ LYS A 18 -4.870 -10.947 -1.837 1.00 0.00 N ATOM 0 H LYS A 18 -0.529 -13.010 0.661 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.461 -14.224 -1.734 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.060 -11.708 -1.032 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.181 -12.161 -2.707 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.371 -11.629 -0.665 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.900 -10.569 -1.978 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.405 -12.659 -3.508 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.304 -13.245 -2.122 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.763 -10.632 -3.609 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.798 -12.046 -3.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.876 -11.192 -1.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.490 -11.370 -0.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.768 -9.913 -1.792 1.00 0.00 H new ATOM 296 N LYS A 19 1.679 -14.545 -1.015 1.00 0.00 N ATOM 297 CA LYS A 19 2.940 -15.171 -1.390 1.00 0.00 C ATOM 298 C LYS A 19 2.736 -16.641 -1.747 1.00 0.00 C ATOM 299 O LYS A 19 3.527 -17.227 -2.489 1.00 0.00 O ATOM 300 CB LYS A 19 3.940 -15.041 -0.236 1.00 0.00 C ATOM 301 CG LYS A 19 5.332 -15.548 -0.557 1.00 0.00 C ATOM 302 CD LYS A 19 6.280 -15.346 0.611 1.00 0.00 C ATOM 303 CE LYS A 19 7.696 -15.772 0.258 1.00 0.00 C ATOM 304 NZ LYS A 19 7.758 -17.194 -0.170 1.00 0.00 N ATOM 0 H LYS A 19 1.649 -14.222 -0.048 1.00 0.00 H new ATOM 0 HA LYS A 19 3.333 -14.662 -2.270 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.006 -13.993 0.056 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.556 -15.588 0.625 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.285 -16.607 -0.810 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.717 -15.027 -1.434 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.277 -14.297 0.906 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.929 -15.919 1.469 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.078 -15.136 -0.541 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.345 -15.624 1.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.751 -17.498 -0.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.250 -17.786 0.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.316 -17.294 -1.106 1.00 0.00 H new ATOM 318 N GLN A 20 1.666 -17.232 -1.228 1.00 0.00 N ATOM 319 CA GLN A 20 1.368 -18.635 -1.491 1.00 0.00 C ATOM 320 C GLN A 20 0.505 -18.762 -2.743 1.00 0.00 C ATOM 321 O GLN A 20 0.230 -19.865 -3.216 1.00 0.00 O ATOM 322 CB GLN A 20 0.648 -19.269 -0.297 1.00 0.00 C ATOM 323 CG GLN A 20 1.261 -18.910 1.047 1.00 0.00 C ATOM 324 CD GLN A 20 2.748 -19.197 1.123 1.00 0.00 C ATOM 325 OE1 GLN A 20 3.253 -20.132 0.500 1.00 0.00 O ATOM 326 NE2 GLN A 20 3.463 -18.381 1.879 1.00 0.00 N ATOM 0 H GLN A 20 0.991 -16.763 -0.624 1.00 0.00 H new ATOM 0 HA GLN A 20 2.309 -19.161 -1.649 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.396 -18.956 -0.305 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.657 -20.353 -0.412 1.00 0.00 H new ATOM 0 HG2 GLN A 20 1.092 -17.852 1.245 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.750 -19.467 1.832 1.00 0.00 H new ATOM 0 HE21 GLN A 20 3.007 -17.618 2.379 1.00 0.00 H new ATOM 0 HE22 GLN A 20 4.471 -18.514 1.962 1.00 0.00 H new ATOM 335 N VAL A 21 0.083 -17.622 -3.272 1.00 0.00 N ATOM 336 CA VAL A 21 -0.763 -17.589 -4.454 1.00 0.00 C ATOM 337 C VAL A 21 0.050 -17.187 -5.680 1.00 0.00 C ATOM 338 O VAL A 21 -0.057 -17.799 -6.745 1.00 0.00 O ATOM 339 CB VAL A 21 -1.939 -16.602 -4.275 1.00 0.00 C ATOM 340 CG1 VAL A 21 -2.853 -16.621 -5.489 1.00 0.00 C ATOM 341 CG2 VAL A 21 -2.721 -16.924 -3.008 1.00 0.00 C ATOM 0 H VAL A 21 0.315 -16.702 -2.897 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.167 -18.591 -4.596 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.527 -15.598 -4.178 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.673 -15.918 -5.338 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.287 -16.334 -6.375 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.256 -17.625 -5.625 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.545 -16.218 -2.900 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.117 -17.937 -3.073 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -2.061 -16.847 -2.144 1.00 0.00 H new ATOM 351 N TRP A 22 0.868 -16.158 -5.517 1.00 0.00 N ATOM 352 CA TRP A 22 1.697 -15.661 -6.605 1.00 0.00 C ATOM 353 C TRP A 22 2.949 -16.514 -6.763 1.00 0.00 C ATOM 354 O TRP A 22 3.163 -17.476 -6.022 1.00 0.00 O ATOM 355 CB TRP A 22 2.113 -14.207 -6.358 1.00 0.00 C ATOM 356 CG TRP A 22 0.971 -13.250 -6.196 1.00 0.00 C ATOM 357 CD1 TRP A 22 -0.252 -13.304 -6.801 1.00 0.00 C ATOM 358 CD2 TRP A 22 0.967 -12.072 -5.383 1.00 0.00 C ATOM 359 NE1 TRP A 22 -1.020 -12.236 -6.401 1.00 0.00 N ATOM 360 CE2 TRP A 22 -0.292 -11.464 -5.533 1.00 0.00 C ATOM 361 CE3 TRP A 22 1.909 -11.478 -4.541 1.00 0.00 C ATOM 362 CZ2 TRP A 22 -0.631 -10.286 -4.871 1.00 0.00 C ATOM 363 CZ3 TRP A 22 1.571 -10.312 -3.883 1.00 0.00 C ATOM 364 CH2 TRP A 22 0.310 -9.726 -4.051 1.00 0.00 C ATOM 0 H TRP A 22 0.976 -15.650 -4.639 1.00 0.00 H new ATOM 0 HA TRP A 22 1.103 -15.715 -7.518 1.00 0.00 H new ATOM 0 HB2 TRP A 22 2.733 -14.167 -5.462 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.734 -13.874 -7.190 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -0.569 -14.072 -7.491 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -1.977 -12.048 -6.701 1.00 0.00 H new ATOM 0 HE3 TRP A 22 2.884 -11.922 -4.407 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -1.602 -9.831 -5.001 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 2.291 -9.844 -3.228 1.00 0.00 H new ATOM 0 HH2 TRP A 22 0.076 -8.814 -3.523 1.00 0.00 H new ATOM 375 N SER A 23 3.772 -16.156 -7.735 1.00 0.00 N ATOM 376 CA SER A 23 5.052 -16.810 -7.935 1.00 0.00 C ATOM 377 C SER A 23 6.077 -16.218 -6.976 1.00 0.00 C ATOM 378 O SER A 23 5.986 -15.040 -6.626 1.00 0.00 O ATOM 379 CB SER A 23 5.505 -16.615 -9.380 1.00 0.00 C ATOM 380 OG SER A 23 4.446 -16.896 -10.281 1.00 0.00 O ATOM 0 H SER A 23 3.573 -15.410 -8.402 1.00 0.00 H new ATOM 0 HA SER A 23 4.955 -17.878 -7.737 1.00 0.00 H new ATOM 0 HB2 SER A 23 5.848 -15.591 -9.523 1.00 0.00 H new ATOM 0 HB3 SER A 23 6.352 -17.268 -9.592 1.00 0.00 H new ATOM 0 HG SER A 23 4.756 -16.764 -11.201 1.00 0.00 H new ATOM 386 N VAL A 24 7.039 -17.026 -6.549 1.00 0.00 N ATOM 387 CA VAL A 24 8.053 -16.580 -5.596 1.00 0.00 C ATOM 388 C VAL A 24 8.802 -15.342 -6.105 1.00 0.00 C ATOM 389 O VAL A 24 9.056 -14.409 -5.341 1.00 0.00 O ATOM 390 CB VAL A 24 9.056 -17.713 -5.259 1.00 0.00 C ATOM 391 CG1 VAL A 24 9.813 -18.172 -6.496 1.00 0.00 C ATOM 392 CG2 VAL A 24 10.020 -17.273 -4.166 1.00 0.00 C ATOM 0 H VAL A 24 7.140 -17.996 -6.847 1.00 0.00 H new ATOM 0 HA VAL A 24 7.526 -16.307 -4.682 1.00 0.00 H new ATOM 0 HB VAL A 24 8.483 -18.563 -4.889 1.00 0.00 H new ATOM 0 HG11 VAL A 24 10.507 -18.967 -6.224 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.106 -18.546 -7.237 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.368 -17.333 -6.915 1.00 0.00 H new ATOM 0 HG21 VAL A 24 10.715 -18.084 -3.946 1.00 0.00 H new ATOM 0 HG22 VAL A 24 10.577 -16.399 -4.503 1.00 0.00 H new ATOM 0 HG23 VAL A 24 9.459 -17.021 -3.266 1.00 0.00 H new ATOM 402 N GLY A 25 9.124 -15.319 -7.395 1.00 0.00 N ATOM 403 CA GLY A 25 9.814 -14.179 -7.964 1.00 0.00 C ATOM 404 C GLY A 25 8.927 -12.955 -8.016 1.00 0.00 C ATOM 405 O GLY A 25 9.328 -11.870 -7.596 1.00 0.00 O ATOM 0 H GLY A 25 8.919 -16.070 -8.055 1.00 0.00 H new ATOM 0 HA2 GLY A 25 10.703 -13.959 -7.372 1.00 0.00 H new ATOM 0 HA3 GLY A 25 10.154 -14.425 -8.970 1.00 0.00 H new ATOM 409 N TYR A 26 7.711 -13.146 -8.516 1.00 0.00 N ATOM 410 CA TYR A 26 6.716 -12.081 -8.587 1.00 0.00 C ATOM 411 C TYR A 26 6.462 -11.497 -7.199 1.00 0.00 C ATOM 412 O TYR A 26 6.399 -10.278 -7.028 1.00 0.00 O ATOM 413 CB TYR A 26 5.414 -12.634 -9.179 1.00 0.00 C ATOM 414 CG TYR A 26 4.348 -11.593 -9.453 1.00 0.00 C ATOM 415 CD1 TYR A 26 4.355 -10.861 -10.633 1.00 0.00 C ATOM 416 CD2 TYR A 26 3.324 -11.359 -8.543 1.00 0.00 C ATOM 417 CE1 TYR A 26 3.372 -9.926 -10.900 1.00 0.00 C ATOM 418 CE2 TYR A 26 2.339 -10.422 -8.801 1.00 0.00 C ATOM 419 CZ TYR A 26 2.367 -9.709 -9.980 1.00 0.00 C ATOM 420 OH TYR A 26 1.380 -8.783 -10.247 1.00 0.00 O ATOM 0 H TYR A 26 7.387 -14.041 -8.883 1.00 0.00 H new ATOM 0 HA TYR A 26 7.091 -11.285 -9.230 1.00 0.00 H new ATOM 0 HB2 TYR A 26 5.646 -13.150 -10.111 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.007 -13.378 -8.494 1.00 0.00 H new ATOM 0 HD1 TYR A 26 5.142 -11.025 -11.355 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.297 -11.918 -7.619 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.391 -9.368 -11.825 1.00 0.00 H new ATOM 0 HE2 TYR A 26 1.552 -10.250 -8.082 1.00 0.00 H new ATOM 0 HH TYR A 26 0.532 -9.246 -10.410 1.00 0.00 H new ATOM 430 N ALA A 27 6.340 -12.378 -6.214 1.00 0.00 N ATOM 431 CA ALA A 27 6.084 -11.970 -4.841 1.00 0.00 C ATOM 432 C ALA A 27 7.269 -11.205 -4.258 1.00 0.00 C ATOM 433 O ALA A 27 7.092 -10.156 -3.646 1.00 0.00 O ATOM 434 CB ALA A 27 5.759 -13.182 -3.980 1.00 0.00 C ATOM 0 H ALA A 27 6.415 -13.387 -6.344 1.00 0.00 H new ATOM 0 HA ALA A 27 5.224 -11.300 -4.846 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.570 -12.861 -2.956 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.873 -13.681 -4.373 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.601 -13.874 -3.993 1.00 0.00 H new ATOM 440 N THR A 28 8.476 -11.730 -4.450 1.00 0.00 N ATOM 441 CA THR A 28 9.677 -11.084 -3.927 1.00 0.00 C ATOM 442 C THR A 28 9.890 -9.717 -4.581 1.00 0.00 C ATOM 443 O THR A 28 10.272 -8.750 -3.917 1.00 0.00 O ATOM 444 CB THR A 28 10.926 -11.964 -4.139 1.00 0.00 C ATOM 445 OG1 THR A 28 10.699 -13.273 -3.598 1.00 0.00 O ATOM 446 CG2 THR A 28 12.149 -11.349 -3.472 1.00 0.00 C ATOM 0 H THR A 28 8.649 -12.596 -4.961 1.00 0.00 H new ATOM 0 HA THR A 28 9.530 -10.945 -2.856 1.00 0.00 H new ATOM 0 HB THR A 28 11.111 -12.034 -5.211 1.00 0.00 H new ATOM 0 HG1 THR A 28 10.313 -13.850 -4.290 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.015 -11.990 -3.637 1.00 0.00 H new ATOM 0 HG22 THR A 28 12.340 -10.364 -3.899 1.00 0.00 H new ATOM 0 HG23 THR A 28 11.969 -11.251 -2.401 1.00 0.00 H new ATOM 454 N GLU A 29 9.623 -9.643 -5.877 1.00 0.00 N ATOM 455 CA GLU A 29 9.749 -8.399 -6.623 1.00 0.00 C ATOM 456 C GLU A 29 8.736 -7.374 -6.121 1.00 0.00 C ATOM 457 O GLU A 29 9.077 -6.222 -5.843 1.00 0.00 O ATOM 458 CB GLU A 29 9.536 -8.669 -8.114 1.00 0.00 C ATOM 459 CG GLU A 29 9.702 -7.444 -8.994 1.00 0.00 C ATOM 460 CD GLU A 29 9.394 -7.733 -10.446 1.00 0.00 C ATOM 461 OE1 GLU A 29 8.212 -7.632 -10.839 1.00 0.00 O ATOM 462 OE2 GLU A 29 10.327 -8.057 -11.206 1.00 0.00 O ATOM 0 H GLU A 29 9.315 -10.437 -6.438 1.00 0.00 H new ATOM 0 HA GLU A 29 10.750 -7.995 -6.473 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.241 -9.435 -8.438 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.535 -9.075 -8.260 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.045 -6.651 -8.637 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.724 -7.074 -8.909 1.00 0.00 H new ATOM 469 N LEU A 30 7.492 -7.818 -5.989 1.00 0.00 N ATOM 470 CA LEU A 30 6.407 -6.963 -5.532 1.00 0.00 C ATOM 471 C LEU A 30 6.673 -6.483 -4.108 1.00 0.00 C ATOM 472 O LEU A 30 6.517 -5.300 -3.802 1.00 0.00 O ATOM 473 CB LEU A 30 5.083 -7.734 -5.612 1.00 0.00 C ATOM 474 CG LEU A 30 3.800 -6.911 -5.430 1.00 0.00 C ATOM 475 CD1 LEU A 30 2.628 -7.641 -6.058 1.00 0.00 C ATOM 476 CD2 LEU A 30 3.512 -6.652 -3.956 1.00 0.00 C ATOM 0 H LEU A 30 7.209 -8.776 -6.195 1.00 0.00 H new ATOM 0 HA LEU A 30 6.342 -6.085 -6.174 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.035 -8.231 -6.581 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.097 -8.516 -4.853 1.00 0.00 H new ATOM 0 HG LEU A 30 3.943 -5.949 -5.923 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.720 -7.053 -5.926 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.816 -7.784 -7.122 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.504 -8.612 -5.578 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.597 -6.067 -3.861 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.390 -7.603 -3.437 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.342 -6.101 -3.514 1.00 0.00 H new ATOM 488 N ALA A 31 7.089 -7.407 -3.250 1.00 0.00 N ATOM 489 CA ALA A 31 7.349 -7.093 -1.852 1.00 0.00 C ATOM 490 C ALA A 31 8.486 -6.093 -1.704 1.00 0.00 C ATOM 491 O ALA A 31 8.463 -5.260 -0.809 1.00 0.00 O ATOM 492 CB ALA A 31 7.657 -8.357 -1.071 1.00 0.00 C ATOM 0 H ALA A 31 7.254 -8.382 -3.500 1.00 0.00 H new ATOM 0 HA ALA A 31 6.447 -6.636 -1.445 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.849 -8.103 -0.028 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.807 -9.037 -1.128 1.00 0.00 H new ATOM 0 HB3 ALA A 31 8.537 -8.841 -1.494 1.00 0.00 H new ATOM 498 N LYS A 32 9.480 -6.170 -2.582 1.00 0.00 N ATOM 499 CA LYS A 32 10.600 -5.240 -2.526 1.00 0.00 C ATOM 500 C LYS A 32 10.153 -3.840 -2.932 1.00 0.00 C ATOM 501 O LYS A 32 10.575 -2.845 -2.338 1.00 0.00 O ATOM 502 CB LYS A 32 11.751 -5.705 -3.420 1.00 0.00 C ATOM 503 CG LYS A 32 12.969 -4.797 -3.347 1.00 0.00 C ATOM 504 CD LYS A 32 13.538 -4.750 -1.937 1.00 0.00 C ATOM 505 CE LYS A 32 14.543 -3.621 -1.775 1.00 0.00 C ATOM 506 NZ LYS A 32 15.170 -3.630 -0.426 1.00 0.00 N ATOM 0 H LYS A 32 9.533 -6.859 -3.333 1.00 0.00 H new ATOM 0 HA LYS A 32 10.958 -5.212 -1.497 1.00 0.00 H new ATOM 0 HB2 LYS A 32 12.041 -6.715 -3.132 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.404 -5.755 -4.452 1.00 0.00 H new ATOM 0 HG2 LYS A 32 13.733 -5.153 -4.038 1.00 0.00 H new ATOM 0 HG3 LYS A 32 12.695 -3.791 -3.665 1.00 0.00 H new ATOM 0 HD2 LYS A 32 12.726 -4.621 -1.221 1.00 0.00 H new ATOM 0 HD3 LYS A 32 14.018 -5.701 -1.706 1.00 0.00 H new ATOM 0 HE2 LYS A 32 15.318 -3.712 -2.537 1.00 0.00 H new ATOM 0 HE3 LYS A 32 14.045 -2.665 -1.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 15.849 -2.846 -0.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 14.434 -3.518 0.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 15.666 -4.532 -0.280 1.00 0.00 H new ATOM 520 N MET A 33 9.296 -3.773 -3.945 1.00 0.00 N ATOM 521 CA MET A 33 8.732 -2.505 -4.393 1.00 0.00 C ATOM 522 C MET A 33 7.907 -1.875 -3.275 1.00 0.00 C ATOM 523 O MET A 33 8.087 -0.704 -2.938 1.00 0.00 O ATOM 524 CB MET A 33 7.881 -2.734 -5.654 1.00 0.00 C ATOM 525 CG MET A 33 7.102 -1.511 -6.131 1.00 0.00 C ATOM 526 SD MET A 33 5.474 -1.366 -5.363 1.00 0.00 S ATOM 527 CE MET A 33 4.710 -2.899 -5.885 1.00 0.00 C ATOM 0 H MET A 33 8.976 -4.585 -4.473 1.00 0.00 H new ATOM 0 HA MET A 33 9.538 -1.815 -4.644 1.00 0.00 H new ATOM 0 HB2 MET A 33 8.534 -3.069 -6.460 1.00 0.00 H new ATOM 0 HB3 MET A 33 7.177 -3.542 -5.458 1.00 0.00 H new ATOM 0 HG2 MET A 33 7.680 -0.612 -5.916 1.00 0.00 H new ATOM 0 HG3 MET A 33 6.984 -1.562 -7.213 1.00 0.00 H new ATOM 0 HE1 MET A 33 3.628 -2.771 -5.925 1.00 0.00 H new ATOM 0 HE2 MET A 33 5.080 -3.172 -6.873 1.00 0.00 H new ATOM 0 HE3 MET A 33 4.956 -3.688 -5.175 1.00 0.00 H new ATOM 537 N PHE A 34 7.030 -2.677 -2.681 1.00 0.00 N ATOM 538 CA PHE A 34 6.187 -2.219 -1.585 1.00 0.00 C ATOM 539 C PHE A 34 7.055 -1.813 -0.392 1.00 0.00 C ATOM 540 O PHE A 34 6.786 -0.824 0.290 1.00 0.00 O ATOM 541 CB PHE A 34 5.222 -3.341 -1.180 1.00 0.00 C ATOM 542 CG PHE A 34 3.956 -2.863 -0.527 1.00 0.00 C ATOM 543 CD1 PHE A 34 3.976 -2.301 0.739 1.00 0.00 C ATOM 544 CD2 PHE A 34 2.741 -2.971 -1.188 1.00 0.00 C ATOM 545 CE1 PHE A 34 2.813 -1.857 1.332 1.00 0.00 C ATOM 546 CE2 PHE A 34 1.574 -2.529 -0.598 1.00 0.00 C ATOM 547 CZ PHE A 34 1.609 -1.971 0.663 1.00 0.00 C ATOM 0 H PHE A 34 6.885 -3.652 -2.943 1.00 0.00 H new ATOM 0 HA PHE A 34 5.612 -1.351 -1.909 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.963 -3.919 -2.067 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.736 -4.017 -0.497 1.00 0.00 H new ATOM 0 HD1 PHE A 34 4.913 -2.210 1.268 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.708 -3.406 -2.176 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.843 -1.420 2.319 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.635 -2.620 -1.123 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.697 -1.624 1.127 1.00 0.00 H new ATOM 557 N ASP A 35 8.106 -2.585 -0.169 1.00 0.00 N ATOM 558 CA ASP A 35 9.027 -2.360 0.939 1.00 0.00 C ATOM 559 C ASP A 35 9.732 -1.014 0.821 1.00 0.00 C ATOM 560 O ASP A 35 9.497 -0.108 1.615 1.00 0.00 O ATOM 561 CB ASP A 35 10.070 -3.478 0.970 1.00 0.00 C ATOM 562 CG ASP A 35 10.988 -3.418 2.172 1.00 0.00 C ATOM 563 OD1 ASP A 35 11.986 -2.670 2.132 1.00 0.00 O ATOM 564 OD2 ASP A 35 10.740 -4.155 3.150 1.00 0.00 O ATOM 0 H ASP A 35 8.347 -3.387 -0.751 1.00 0.00 H new ATOM 0 HA ASP A 35 8.447 -2.358 1.862 1.00 0.00 H new ATOM 0 HB2 ASP A 35 9.559 -4.441 0.962 1.00 0.00 H new ATOM 0 HB3 ASP A 35 10.671 -3.428 0.062 1.00 0.00 H new ATOM 569 N ASP A 36 10.566 -0.887 -0.202 1.00 0.00 N ATOM 570 CA ASP A 36 11.481 0.246 -0.321 1.00 0.00 C ATOM 571 C ASP A 36 10.748 1.569 -0.543 1.00 0.00 C ATOM 572 O ASP A 36 11.223 2.632 -0.124 1.00 0.00 O ATOM 573 CB ASP A 36 12.468 0.002 -1.467 1.00 0.00 C ATOM 574 CG ASP A 36 13.505 1.102 -1.584 1.00 0.00 C ATOM 575 OD1 ASP A 36 14.490 1.077 -0.817 1.00 0.00 O ATOM 576 OD2 ASP A 36 13.345 1.992 -2.442 1.00 0.00 O ATOM 0 H ASP A 36 10.630 -1.558 -0.967 1.00 0.00 H new ATOM 0 HA ASP A 36 12.018 0.327 0.624 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.971 -0.952 -1.312 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.918 -0.076 -2.405 1.00 0.00 H new ATOM 581 N ASP A 37 9.594 1.511 -1.186 1.00 0.00 N ATOM 582 CA ASP A 37 8.888 2.729 -1.556 1.00 0.00 C ATOM 583 C ASP A 37 7.778 3.088 -0.577 1.00 0.00 C ATOM 584 O ASP A 37 7.648 4.246 -0.183 1.00 0.00 O ATOM 585 CB ASP A 37 8.329 2.621 -2.976 1.00 0.00 C ATOM 586 CG ASP A 37 9.416 2.745 -4.022 1.00 0.00 C ATOM 587 OD1 ASP A 37 10.231 3.676 -3.915 1.00 0.00 O ATOM 588 OD2 ASP A 37 9.464 1.921 -4.960 1.00 0.00 O ATOM 0 H ASP A 37 9.129 0.646 -1.461 1.00 0.00 H new ATOM 0 HA ASP A 37 9.620 3.536 -1.519 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.819 1.665 -3.094 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.584 3.401 -3.133 1.00 0.00 H new ATOM 593 N ILE A 38 6.998 2.104 -0.164 1.00 0.00 N ATOM 594 CA ILE A 38 5.803 2.369 0.626 1.00 0.00 C ATOM 595 C ILE A 38 6.083 2.328 2.130 1.00 0.00 C ATOM 596 O ILE A 38 5.581 3.164 2.886 1.00 0.00 O ATOM 597 CB ILE A 38 4.684 1.364 0.280 1.00 0.00 C ATOM 598 CG1 ILE A 38 4.486 1.315 -1.242 1.00 0.00 C ATOM 599 CG2 ILE A 38 3.386 1.739 0.987 1.00 0.00 C ATOM 600 CD1 ILE A 38 3.337 0.441 -1.692 1.00 0.00 C ATOM 0 H ILE A 38 7.168 1.118 -0.360 1.00 0.00 H new ATOM 0 HA ILE A 38 5.477 3.378 0.372 1.00 0.00 H new ATOM 0 HB ILE A 38 4.976 0.373 0.627 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.321 2.328 -1.608 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.405 0.954 -1.705 1.00 0.00 H new ATOM 0 HG21 ILE A 38 2.610 1.018 0.730 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.544 1.733 2.065 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.075 2.735 0.672 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.268 0.463 -2.780 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.507 -0.583 -1.360 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.407 0.812 -1.262 1.00 0.00 H new ATOM 612 N LEU A 39 6.908 1.381 2.562 1.00 0.00 N ATOM 613 CA LEU A 39 7.136 1.163 3.993 1.00 0.00 C ATOM 614 C LEU A 39 7.832 2.345 4.694 1.00 0.00 C ATOM 615 O LEU A 39 7.463 2.680 5.818 1.00 0.00 O ATOM 616 CB LEU A 39 7.913 -0.133 4.234 1.00 0.00 C ATOM 617 CG LEU A 39 7.160 -1.416 3.871 1.00 0.00 C ATOM 618 CD1 LEU A 39 7.954 -2.638 4.298 1.00 0.00 C ATOM 619 CD2 LEU A 39 5.778 -1.424 4.508 1.00 0.00 C ATOM 0 H LEU A 39 7.429 0.753 1.949 1.00 0.00 H new ATOM 0 HA LEU A 39 6.146 1.078 4.441 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.838 -0.097 3.658 1.00 0.00 H new ATOM 0 HB3 LEU A 39 8.194 -0.180 5.286 1.00 0.00 H new ATOM 0 HG LEU A 39 7.037 -1.448 2.788 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.404 -3.541 4.032 1.00 0.00 H new ATOM 0 HD12 LEU A 39 8.920 -2.639 3.792 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.109 -2.612 5.377 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.258 -2.344 4.238 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.877 -1.367 5.592 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.208 -0.567 4.150 1.00 0.00 H new ATOM 631 N PRO A 40 8.847 2.997 4.088 1.00 0.00 N ATOM 632 CA PRO A 40 9.485 4.174 4.699 1.00 0.00 C ATOM 633 C PRO A 40 8.551 5.385 4.767 1.00 0.00 C ATOM 634 O PRO A 40 8.868 6.389 5.405 1.00 0.00 O ATOM 635 CB PRO A 40 10.674 4.473 3.776 1.00 0.00 C ATOM 636 CG PRO A 40 10.864 3.235 2.972 1.00 0.00 C ATOM 637 CD PRO A 40 9.499 2.636 2.822 1.00 0.00 C ATOM 0 HA PRO A 40 9.771 3.976 5.732 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.469 5.331 3.136 1.00 0.00 H new ATOM 0 HB3 PRO A 40 11.569 4.711 4.351 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.301 3.463 2.000 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.542 2.544 3.472 1.00 0.00 H new ATOM 0 HD2 PRO A 40 8.969 3.046 1.962 1.00 0.00 H new ATOM 0 HD3 PRO A 40 9.544 1.556 2.683 1.00 0.00 H new ATOM 645 N ILE A 41 7.403 5.291 4.105 1.00 0.00 N ATOM 646 CA ILE A 41 6.448 6.391 4.081 1.00 0.00 C ATOM 647 C ILE A 41 5.357 6.194 5.132 1.00 0.00 C ATOM 648 O ILE A 41 5.124 7.074 5.963 1.00 0.00 O ATOM 649 CB ILE A 41 5.791 6.552 2.691 1.00 0.00 C ATOM 650 CG1 ILE A 41 6.850 6.787 1.605 1.00 0.00 C ATOM 651 CG2 ILE A 41 4.791 7.702 2.706 1.00 0.00 C ATOM 652 CD1 ILE A 41 7.480 8.167 1.644 1.00 0.00 C ATOM 0 H ILE A 41 7.112 4.467 3.579 1.00 0.00 H new ATOM 0 HA ILE A 41 7.010 7.297 4.307 1.00 0.00 H new ATOM 0 HB ILE A 41 5.263 5.627 2.459 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.635 6.038 1.709 1.00 0.00 H new ATOM 0 HG13 ILE A 41 6.393 6.635 0.627 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.337 7.802 1.720 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.015 7.500 3.444 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.305 8.628 2.965 1.00 0.00 H new ATOM 0 HD11 ILE A 41 8.217 8.253 0.846 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.707 8.924 1.508 1.00 0.00 H new ATOM 0 HD13 ILE A 41 7.969 8.317 2.607 1.00 0.00 H new ATOM 664 N ILE A 42 4.690 5.042 5.101 1.00 0.00 N ATOM 665 CA ILE A 42 3.574 4.795 6.014 1.00 0.00 C ATOM 666 C ILE A 42 3.687 3.446 6.716 1.00 0.00 C ATOM 667 O ILE A 42 2.752 3.018 7.394 1.00 0.00 O ATOM 668 CB ILE A 42 2.216 4.828 5.285 1.00 0.00 C ATOM 669 CG1 ILE A 42 2.135 3.700 4.258 1.00 0.00 C ATOM 670 CG2 ILE A 42 1.995 6.176 4.617 1.00 0.00 C ATOM 671 CD1 ILE A 42 0.718 3.326 3.899 1.00 0.00 C ATOM 0 H ILE A 42 4.898 4.274 4.463 1.00 0.00 H new ATOM 0 HA ILE A 42 3.625 5.598 6.750 1.00 0.00 H new ATOM 0 HB ILE A 42 1.427 4.682 6.023 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.665 4.001 3.354 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.648 2.822 4.651 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.031 6.176 4.109 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.008 6.962 5.372 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.788 6.357 3.891 1.00 0.00 H new ATOM 0 HD11 ILE A 42 0.729 2.520 3.166 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.191 2.995 4.794 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.209 4.193 3.478 1.00 0.00 H new ATOM 683 N GLY A 43 4.827 2.787 6.574 1.00 0.00 N ATOM 684 CA GLY A 43 4.986 1.450 7.121 1.00 0.00 C ATOM 685 C GLY A 43 4.832 1.417 8.627 1.00 0.00 C ATOM 686 O GLY A 43 4.258 0.479 9.182 1.00 0.00 O ATOM 0 H GLY A 43 5.647 3.152 6.090 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.249 0.786 6.669 1.00 0.00 H new ATOM 0 HA3 GLY A 43 5.969 1.065 6.851 1.00 0.00 H new ATOM 690 N GLY A 44 5.321 2.458 9.284 1.00 0.00 N ATOM 691 CA GLY A 44 5.251 2.521 10.727 1.00 0.00 C ATOM 692 C GLY A 44 4.030 3.271 11.216 1.00 0.00 C ATOM 693 O GLY A 44 3.939 3.618 12.396 1.00 0.00 O ATOM 0 H GLY A 44 5.766 3.262 8.841 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.238 1.509 11.131 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.149 3.006 11.110 1.00 0.00 H new ATOM 697 N LEU A 45 3.088 3.529 10.319 1.00 0.00 N ATOM 698 CA LEU A 45 1.860 4.209 10.691 1.00 0.00 C ATOM 699 C LEU A 45 0.762 3.195 10.957 1.00 0.00 C ATOM 700 O LEU A 45 0.773 2.099 10.393 1.00 0.00 O ATOM 701 CB LEU A 45 1.432 5.177 9.589 1.00 0.00 C ATOM 702 CG LEU A 45 2.379 6.356 9.363 1.00 0.00 C ATOM 703 CD1 LEU A 45 1.979 7.126 8.117 1.00 0.00 C ATOM 704 CD2 LEU A 45 2.380 7.276 10.575 1.00 0.00 C ATOM 0 H LEU A 45 3.152 3.278 9.333 1.00 0.00 H new ATOM 0 HA LEU A 45 2.039 4.780 11.602 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.337 4.622 8.655 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.443 5.566 9.831 1.00 0.00 H new ATOM 0 HG LEU A 45 3.387 5.967 9.222 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.663 7.962 7.971 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.023 6.465 7.251 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.963 7.504 8.234 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.059 8.110 10.398 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.373 7.657 10.743 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.709 6.720 11.453 1.00 0.00 H new ATOM 716 N GLU A 46 -0.175 3.554 11.822 1.00 0.00 N ATOM 717 CA GLU A 46 -1.292 2.681 12.127 1.00 0.00 C ATOM 718 C GLU A 46 -2.259 2.694 10.959 1.00 0.00 C ATOM 719 O GLU A 46 -2.605 3.757 10.453 1.00 0.00 O ATOM 720 CB GLU A 46 -2.008 3.122 13.408 1.00 0.00 C ATOM 721 CG GLU A 46 -1.112 3.148 14.636 1.00 0.00 C ATOM 722 CD GLU A 46 -1.880 3.413 15.916 1.00 0.00 C ATOM 723 OE1 GLU A 46 -2.484 4.499 16.043 1.00 0.00 O ATOM 724 OE2 GLU A 46 -1.877 2.537 16.809 1.00 0.00 O ATOM 0 H GLU A 46 -0.182 4.443 12.323 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.916 1.671 12.290 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -2.427 4.117 13.255 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.845 2.449 13.595 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.591 2.194 14.721 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.350 3.917 14.508 1.00 0.00 H new ATOM 731 N ILE A 47 -2.693 1.519 10.539 1.00 0.00 N ATOM 732 CA ILE A 47 -3.535 1.386 9.357 1.00 0.00 C ATOM 733 C ILE A 47 -4.877 2.103 9.540 1.00 0.00 C ATOM 734 O ILE A 47 -5.577 2.400 8.569 1.00 0.00 O ATOM 735 CB ILE A 47 -3.763 -0.104 9.014 1.00 0.00 C ATOM 736 CG1 ILE A 47 -4.331 -0.247 7.602 1.00 0.00 C ATOM 737 CG2 ILE A 47 -4.691 -0.753 10.033 1.00 0.00 C ATOM 738 CD1 ILE A 47 -4.316 -1.665 7.078 1.00 0.00 C ATOM 0 H ILE A 47 -2.476 0.636 11.001 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.013 1.861 8.526 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.802 -0.617 9.052 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.356 0.122 7.594 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -3.759 0.387 6.924 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.839 -1.801 9.774 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.247 -0.684 11.026 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.652 -0.239 10.029 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -4.734 -1.685 6.072 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.290 -2.032 7.052 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.913 -2.301 7.732 1.00 0.00 H new ATOM 750 N GLN A 48 -5.219 2.398 10.789 1.00 0.00 N ATOM 751 CA GLN A 48 -6.461 3.093 11.098 1.00 0.00 C ATOM 752 C GLN A 48 -6.273 4.602 11.013 1.00 0.00 C ATOM 753 O GLN A 48 -7.241 5.351 10.867 1.00 0.00 O ATOM 754 CB GLN A 48 -6.954 2.722 12.497 1.00 0.00 C ATOM 755 CG GLN A 48 -7.078 1.227 12.741 1.00 0.00 C ATOM 756 CD GLN A 48 -7.604 0.911 14.129 1.00 0.00 C ATOM 757 OE1 GLN A 48 -7.402 1.676 15.072 1.00 0.00 O ATOM 758 NE2 GLN A 48 -8.259 -0.228 14.272 1.00 0.00 N ATOM 0 H GLN A 48 -4.652 2.166 11.605 1.00 0.00 H new ATOM 0 HA GLN A 48 -7.204 2.785 10.363 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -6.270 3.143 13.234 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -7.926 3.187 12.662 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -7.744 0.794 11.995 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.103 0.758 12.609 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -8.407 -0.836 13.466 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -8.617 -0.499 15.188 1.00 0.00 H new ATOM 767 N ASP A 49 -5.030 5.050 11.105 1.00 0.00 N ATOM 768 CA ASP A 49 -4.744 6.471 11.058 1.00 0.00 C ATOM 769 C ASP A 49 -3.493 6.749 10.245 1.00 0.00 C ATOM 770 O ASP A 49 -2.382 6.805 10.778 1.00 0.00 O ATOM 771 CB ASP A 49 -4.594 7.065 12.456 1.00 0.00 C ATOM 772 CG ASP A 49 -4.519 8.577 12.407 1.00 0.00 C ATOM 773 OD1 ASP A 49 -5.586 9.217 12.290 1.00 0.00 O ATOM 774 OD2 ASP A 49 -3.399 9.128 12.461 1.00 0.00 O ATOM 0 H ASP A 49 -4.210 4.453 11.212 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.595 6.949 10.574 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.438 6.761 13.075 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.694 6.669 12.927 1.00 0.00 H new ATOM 779 N ILE A 50 -3.681 6.881 8.948 1.00 0.00 N ATOM 780 CA ILE A 50 -2.595 7.243 8.058 1.00 0.00 C ATOM 781 C ILE A 50 -2.866 8.607 7.435 1.00 0.00 C ATOM 782 O ILE A 50 -3.995 8.900 7.033 1.00 0.00 O ATOM 783 CB ILE A 50 -2.393 6.175 6.959 1.00 0.00 C ATOM 784 CG1 ILE A 50 -1.968 4.854 7.604 1.00 0.00 C ATOM 785 CG2 ILE A 50 -1.363 6.632 5.933 1.00 0.00 C ATOM 786 CD1 ILE A 50 -1.796 3.713 6.629 1.00 0.00 C ATOM 0 H ILE A 50 -4.579 6.743 8.484 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.676 7.295 8.642 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.336 6.029 6.433 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.028 5.008 8.134 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -2.712 4.571 8.349 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.241 5.861 5.172 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.702 7.555 5.463 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.408 6.807 6.429 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.494 2.815 7.169 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.740 3.528 6.116 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.030 3.971 5.898 1.00 0.00 H new ATOM 798 N GLU A 51 -1.834 9.436 7.382 1.00 0.00 N ATOM 799 CA GLU A 51 -1.944 10.776 6.821 1.00 0.00 C ATOM 800 C GLU A 51 -2.227 10.691 5.324 1.00 0.00 C ATOM 801 O GLU A 51 -1.488 10.036 4.583 1.00 0.00 O ATOM 802 CB GLU A 51 -0.642 11.543 7.068 1.00 0.00 C ATOM 803 CG GLU A 51 -0.824 12.919 7.690 1.00 0.00 C ATOM 804 CD GLU A 51 -1.583 13.878 6.799 1.00 0.00 C ATOM 805 OE1 GLU A 51 -1.161 14.082 5.643 1.00 0.00 O ATOM 806 OE2 GLU A 51 -2.596 14.444 7.255 1.00 0.00 O ATOM 0 H GLU A 51 -0.902 9.202 7.724 1.00 0.00 H new ATOM 0 HA GLU A 51 -2.767 11.303 7.304 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.003 10.947 7.719 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.116 11.654 6.120 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.354 12.816 8.637 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.155 13.341 7.917 1.00 0.00 H new ATOM 813 N PRO A 52 -3.313 11.332 4.866 1.00 0.00 N ATOM 814 CA PRO A 52 -3.703 11.334 3.452 1.00 0.00 C ATOM 815 C PRO A 52 -2.571 11.786 2.533 1.00 0.00 C ATOM 816 O PRO A 52 -2.369 11.223 1.456 1.00 0.00 O ATOM 817 CB PRO A 52 -4.858 12.335 3.400 1.00 0.00 C ATOM 818 CG PRO A 52 -5.421 12.337 4.778 1.00 0.00 C ATOM 819 CD PRO A 52 -4.258 12.100 5.697 1.00 0.00 C ATOM 0 HA PRO A 52 -3.968 10.335 3.107 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -4.509 13.327 3.114 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -5.607 12.037 2.667 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -5.907 13.287 5.000 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -6.175 11.558 4.893 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.820 13.037 6.040 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -4.556 11.543 6.585 1.00 0.00 H new ATOM 827 N MET A 53 -1.812 12.784 2.974 1.00 0.00 N ATOM 828 CA MET A 53 -0.736 13.335 2.166 1.00 0.00 C ATOM 829 C MET A 53 0.466 12.397 2.138 1.00 0.00 C ATOM 830 O MET A 53 1.297 12.474 1.237 1.00 0.00 O ATOM 831 CB MET A 53 -0.318 14.712 2.682 1.00 0.00 C ATOM 832 CG MET A 53 -1.414 15.760 2.573 1.00 0.00 C ATOM 833 SD MET A 53 -0.921 17.358 3.252 1.00 0.00 S ATOM 834 CE MET A 53 0.445 17.785 2.174 1.00 0.00 C ATOM 0 H MET A 53 -1.924 13.226 3.886 1.00 0.00 H new ATOM 0 HA MET A 53 -1.110 13.444 1.148 1.00 0.00 H new ATOM 0 HB2 MET A 53 -0.014 14.623 3.725 1.00 0.00 H new ATOM 0 HB3 MET A 53 0.554 15.051 2.123 1.00 0.00 H new ATOM 0 HG2 MET A 53 -1.689 15.884 1.526 1.00 0.00 H new ATOM 0 HG3 MET A 53 -2.302 15.406 3.096 1.00 0.00 H new ATOM 0 HE1 MET A 53 0.647 18.854 2.248 1.00 0.00 H new ATOM 0 HE2 MET A 53 1.332 17.227 2.473 1.00 0.00 H new ATOM 0 HE3 MET A 53 0.188 17.535 1.145 1.00 0.00 H new ATOM 844 N GLN A 54 0.546 11.506 3.120 1.00 0.00 N ATOM 845 CA GLN A 54 1.624 10.526 3.167 1.00 0.00 C ATOM 846 C GLN A 54 1.303 9.323 2.289 1.00 0.00 C ATOM 847 O GLN A 54 2.156 8.850 1.547 1.00 0.00 O ATOM 848 CB GLN A 54 1.902 10.084 4.603 1.00 0.00 C ATOM 849 CG GLN A 54 2.884 10.991 5.326 1.00 0.00 C ATOM 850 CD GLN A 54 3.067 10.619 6.783 1.00 0.00 C ATOM 851 OE1 GLN A 54 2.147 10.126 7.433 1.00 0.00 O ATOM 852 NE2 GLN A 54 4.263 10.841 7.304 1.00 0.00 N ATOM 0 H GLN A 54 -0.119 11.442 3.891 1.00 0.00 H new ATOM 0 HA GLN A 54 2.524 11.002 2.779 1.00 0.00 H new ATOM 0 HB2 GLN A 54 0.964 10.059 5.157 1.00 0.00 H new ATOM 0 HB3 GLN A 54 2.294 9.067 4.594 1.00 0.00 H new ATOM 0 HG2 GLN A 54 3.849 10.949 4.821 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.535 12.022 5.260 1.00 0.00 H new ATOM 0 HE21 GLN A 54 5.000 11.252 6.731 1.00 0.00 H new ATOM 0 HE22 GLN A 54 4.447 10.601 8.278 1.00 0.00 H new ATOM 861 N LEU A 55 0.070 8.839 2.364 1.00 0.00 N ATOM 862 CA LEU A 55 -0.360 7.743 1.499 1.00 0.00 C ATOM 863 C LEU A 55 -0.273 8.184 0.040 1.00 0.00 C ATOM 864 O LEU A 55 0.165 7.434 -0.839 1.00 0.00 O ATOM 865 CB LEU A 55 -1.791 7.317 1.847 1.00 0.00 C ATOM 866 CG LEU A 55 -2.335 6.131 1.044 1.00 0.00 C ATOM 867 CD1 LEU A 55 -1.472 4.896 1.255 1.00 0.00 C ATOM 868 CD2 LEU A 55 -3.777 5.844 1.435 1.00 0.00 C ATOM 0 H LEU A 55 -0.644 9.182 3.006 1.00 0.00 H new ATOM 0 HA LEU A 55 0.295 6.886 1.653 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.830 7.065 2.907 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.453 8.170 1.697 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.306 6.391 -0.014 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.877 4.066 0.676 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.453 5.104 0.928 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.467 4.632 2.312 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.150 4.999 0.856 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.825 5.606 2.497 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.391 6.722 1.232 1.00 0.00 H new ATOM 880 N LEU A 56 -0.663 9.425 -0.201 1.00 0.00 N ATOM 881 CA LEU A 56 -0.566 10.015 -1.522 1.00 0.00 C ATOM 882 C LEU A 56 0.907 10.211 -1.901 1.00 0.00 C ATOM 883 O LEU A 56 1.268 10.106 -3.069 1.00 0.00 O ATOM 884 CB LEU A 56 -1.353 11.338 -1.547 1.00 0.00 C ATOM 885 CG LEU A 56 -1.494 12.045 -2.905 1.00 0.00 C ATOM 886 CD1 LEU A 56 -0.318 12.970 -3.150 1.00 0.00 C ATOM 887 CD2 LEU A 56 -1.628 11.039 -4.040 1.00 0.00 C ATOM 0 H LEU A 56 -1.052 10.046 0.508 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.005 9.349 -2.265 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.354 11.143 -1.162 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.874 12.030 -0.854 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.406 12.642 -2.877 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.436 13.461 -4.116 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.277 13.723 -2.363 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.606 12.392 -3.148 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.726 11.570 -4.987 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.743 10.404 -4.070 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.512 10.422 -3.877 1.00 0.00 H new ATOM 899 N GLU A 57 1.760 10.455 -0.909 1.00 0.00 N ATOM 900 CA GLU A 57 3.190 10.617 -1.158 1.00 0.00 C ATOM 901 C GLU A 57 3.838 9.271 -1.477 1.00 0.00 C ATOM 902 O GLU A 57 4.907 9.220 -2.079 1.00 0.00 O ATOM 903 CB GLU A 57 3.886 11.298 0.024 1.00 0.00 C ATOM 904 CG GLU A 57 5.324 11.699 -0.271 1.00 0.00 C ATOM 905 CD GLU A 57 5.773 12.906 0.524 1.00 0.00 C ATOM 906 OE1 GLU A 57 5.541 14.045 0.056 1.00 0.00 O ATOM 907 OE2 GLU A 57 6.363 12.728 1.607 1.00 0.00 O ATOM 0 H GLU A 57 1.488 10.545 0.070 1.00 0.00 H new ATOM 0 HA GLU A 57 3.309 11.265 -2.026 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.320 12.185 0.307 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.873 10.625 0.881 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.983 10.859 -0.050 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.425 11.913 -1.335 1.00 0.00 H new ATOM 914 N VAL A 58 3.191 8.181 -1.077 1.00 0.00 N ATOM 915 CA VAL A 58 3.589 6.855 -1.538 1.00 0.00 C ATOM 916 C VAL A 58 3.387 6.779 -3.046 1.00 0.00 C ATOM 917 O VAL A 58 4.316 6.502 -3.816 1.00 0.00 O ATOM 918 CB VAL A 58 2.763 5.737 -0.858 1.00 0.00 C ATOM 919 CG1 VAL A 58 3.058 4.385 -1.485 1.00 0.00 C ATOM 920 CG2 VAL A 58 3.040 5.693 0.635 1.00 0.00 C ATOM 0 H VAL A 58 2.395 8.188 -0.440 1.00 0.00 H new ATOM 0 HA VAL A 58 4.636 6.703 -1.276 1.00 0.00 H new ATOM 0 HB VAL A 58 1.708 5.965 -1.009 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.465 3.617 -0.989 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.804 4.412 -2.545 1.00 0.00 H new ATOM 0 HG13 VAL A 58 4.117 4.155 -1.372 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.448 4.900 1.092 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.099 5.498 0.803 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.771 6.650 1.083 1.00 0.00 H new ATOM 930 N ILE A 59 2.166 7.073 -3.457 1.00 0.00 N ATOM 931 CA ILE A 59 1.828 7.125 -4.871 1.00 0.00 C ATOM 932 C ILE A 59 2.740 8.113 -5.604 1.00 0.00 C ATOM 933 O ILE A 59 3.201 7.843 -6.713 1.00 0.00 O ATOM 934 CB ILE A 59 0.336 7.502 -5.084 1.00 0.00 C ATOM 935 CG1 ILE A 59 -0.559 6.258 -5.035 1.00 0.00 C ATOM 936 CG2 ILE A 59 0.126 8.246 -6.396 1.00 0.00 C ATOM 937 CD1 ILE A 59 -0.593 5.567 -3.688 1.00 0.00 C ATOM 0 H ILE A 59 1.389 7.280 -2.830 1.00 0.00 H new ATOM 0 HA ILE A 59 1.983 6.130 -5.287 1.00 0.00 H new ATOM 0 HB ILE A 59 0.055 8.168 -4.268 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.574 6.544 -5.309 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.215 5.547 -5.786 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.930 8.493 -6.509 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.715 9.163 -6.392 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.443 7.615 -7.227 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.249 4.698 -3.741 1.00 0.00 H new ATOM 0 HD12 ILE A 59 0.413 5.246 -3.418 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.968 6.259 -2.934 1.00 0.00 H new ATOM 949 N ARG A 60 3.031 9.244 -4.964 1.00 0.00 N ATOM 950 CA ARG A 60 3.883 10.256 -5.572 1.00 0.00 C ATOM 951 C ARG A 60 5.354 9.864 -5.526 1.00 0.00 C ATOM 952 O ARG A 60 6.163 10.384 -6.293 1.00 0.00 O ATOM 953 CB ARG A 60 3.682 11.621 -4.928 1.00 0.00 C ATOM 954 CG ARG A 60 2.309 12.208 -5.184 1.00 0.00 C ATOM 955 CD ARG A 60 2.345 13.723 -5.137 1.00 0.00 C ATOM 956 NE ARG A 60 3.095 14.273 -6.259 1.00 0.00 N ATOM 957 CZ ARG A 60 4.038 15.201 -6.142 1.00 0.00 C ATOM 958 NH1 ARG A 60 4.395 15.645 -4.943 1.00 0.00 N ATOM 959 NH2 ARG A 60 4.651 15.661 -7.223 1.00 0.00 N ATOM 0 H ARG A 60 2.691 9.479 -4.032 1.00 0.00 H new ATOM 0 HA ARG A 60 3.584 10.323 -6.618 1.00 0.00 H new ATOM 0 HB2 ARG A 60 3.838 11.534 -3.853 1.00 0.00 H new ATOM 0 HB3 ARG A 60 4.439 12.308 -5.305 1.00 0.00 H new ATOM 0 HG2 ARG A 60 1.946 11.880 -6.158 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.606 11.835 -4.439 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.327 14.113 -5.152 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.798 14.049 -4.200 1.00 0.00 H new ATOM 0 HE ARG A 60 2.882 13.923 -7.193 1.00 0.00 H new ATOM 0 HH11 ARG A 60 3.945 15.273 -4.107 1.00 0.00 H new ATOM 0 HH12 ARG A 60 5.120 16.358 -4.858 1.00 0.00 H new ATOM 0 HH21 ARG A 60 4.399 15.302 -8.144 1.00 0.00 H new ATOM 0 HH22 ARG A 60 5.375 16.374 -7.134 1.00 0.00 H new ATOM 973 N ARG A 61 5.701 8.955 -4.622 1.00 0.00 N ATOM 974 CA ARG A 61 7.032 8.360 -4.603 1.00 0.00 C ATOM 975 C ARG A 61 7.284 7.704 -5.950 1.00 0.00 C ATOM 976 O ARG A 61 8.375 7.795 -6.515 1.00 0.00 O ATOM 977 CB ARG A 61 7.135 7.321 -3.478 1.00 0.00 C ATOM 978 CG ARG A 61 8.474 6.605 -3.400 1.00 0.00 C ATOM 979 CD ARG A 61 9.537 7.454 -2.720 1.00 0.00 C ATOM 980 NE ARG A 61 10.835 6.779 -2.698 1.00 0.00 N ATOM 981 CZ ARG A 61 11.168 5.810 -1.840 1.00 0.00 C ATOM 982 NH1 ARG A 61 10.325 5.438 -0.884 1.00 0.00 N ATOM 983 NH2 ARG A 61 12.350 5.215 -1.935 1.00 0.00 N ATOM 0 H ARG A 61 5.077 8.613 -3.891 1.00 0.00 H new ATOM 0 HA ARG A 61 7.780 9.131 -4.420 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.946 7.816 -2.525 1.00 0.00 H new ATOM 0 HB3 ARG A 61 6.348 6.579 -3.613 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.353 5.670 -2.854 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.806 6.346 -4.406 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.631 8.407 -3.242 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.226 7.678 -1.700 1.00 0.00 H new ATOM 0 HE ARG A 61 11.533 7.067 -3.384 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.416 5.893 -0.801 1.00 0.00 H new ATOM 0 HH12 ARG A 61 10.587 4.698 -0.233 1.00 0.00 H new ATOM 0 HH21 ARG A 61 13.006 5.497 -2.664 1.00 0.00 H new ATOM 0 HH22 ARG A 61 12.603 4.476 -1.279 1.00 0.00 H new ATOM 997 N PHE A 62 6.245 7.059 -6.466 1.00 0.00 N ATOM 998 CA PHE A 62 6.301 6.476 -7.801 1.00 0.00 C ATOM 999 C PHE A 62 6.089 7.541 -8.885 1.00 0.00 C ATOM 1000 O PHE A 62 6.737 7.502 -9.936 1.00 0.00 O ATOM 1001 CB PHE A 62 5.248 5.376 -7.946 1.00 0.00 C ATOM 1002 CG PHE A 62 5.395 4.256 -6.957 1.00 0.00 C ATOM 1003 CD1 PHE A 62 6.298 3.231 -7.181 1.00 0.00 C ATOM 1004 CD2 PHE A 62 4.625 4.225 -5.809 1.00 0.00 C ATOM 1005 CE1 PHE A 62 6.428 2.196 -6.276 1.00 0.00 C ATOM 1006 CE2 PHE A 62 4.752 3.195 -4.900 1.00 0.00 C ATOM 1007 CZ PHE A 62 5.654 2.178 -5.133 1.00 0.00 C ATOM 0 H PHE A 62 5.357 6.927 -5.983 1.00 0.00 H new ATOM 0 HA PHE A 62 7.294 6.046 -7.932 1.00 0.00 H new ATOM 0 HB2 PHE A 62 4.258 5.818 -7.834 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.302 4.966 -8.954 1.00 0.00 H new ATOM 0 HD1 PHE A 62 6.907 3.241 -8.073 1.00 0.00 H new ATOM 0 HD2 PHE A 62 3.915 5.017 -5.622 1.00 0.00 H new ATOM 0 HE1 PHE A 62 7.135 1.401 -6.462 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.145 3.185 -4.006 1.00 0.00 H new ATOM 0 HZ PHE A 62 5.755 1.370 -4.423 1.00 0.00 H new ATOM 1017 N GLU A 63 5.188 8.489 -8.620 1.00 0.00 N ATOM 1018 CA GLU A 63 4.832 9.534 -9.589 1.00 0.00 C ATOM 1019 C GLU A 63 6.042 10.368 -10.001 1.00 0.00 C ATOM 1020 O GLU A 63 6.357 10.462 -11.189 1.00 0.00 O ATOM 1021 CB GLU A 63 3.759 10.458 -9.013 1.00 0.00 C ATOM 1022 CG GLU A 63 3.256 11.504 -9.994 1.00 0.00 C ATOM 1023 CD GLU A 63 2.244 12.443 -9.372 1.00 0.00 C ATOM 1024 OE1 GLU A 63 2.657 13.441 -8.740 1.00 0.00 O ATOM 1025 OE2 GLU A 63 1.029 12.201 -9.524 1.00 0.00 O ATOM 0 H GLU A 63 4.686 8.556 -7.735 1.00 0.00 H new ATOM 0 HA GLU A 63 4.447 9.027 -10.474 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.916 9.854 -8.677 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.161 10.962 -8.134 1.00 0.00 H new ATOM 0 HG2 GLU A 63 4.101 12.082 -10.369 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.805 11.006 -10.852 1.00 0.00 H new ATOM 1032 N ASP A 64 6.715 10.973 -9.020 1.00 0.00 N ATOM 1033 CA ASP A 64 7.873 11.826 -9.294 1.00 0.00 C ATOM 1034 C ASP A 64 8.966 11.045 -10.007 1.00 0.00 C ATOM 1035 O ASP A 64 9.739 11.604 -10.787 1.00 0.00 O ATOM 1036 CB ASP A 64 8.439 12.432 -8.002 1.00 0.00 C ATOM 1037 CG ASP A 64 7.780 13.745 -7.618 1.00 0.00 C ATOM 1038 OD1 ASP A 64 7.960 14.746 -8.353 1.00 0.00 O ATOM 1039 OD2 ASP A 64 7.105 13.794 -6.567 1.00 0.00 O ATOM 0 H ASP A 64 6.479 10.888 -8.031 1.00 0.00 H new ATOM 0 HA ASP A 64 7.531 12.635 -9.940 1.00 0.00 H new ATOM 0 HB2 ASP A 64 8.313 11.718 -7.188 1.00 0.00 H new ATOM 0 HB3 ASP A 64 9.510 12.592 -8.123 1.00 0.00 H new ATOM 1044 N ARG A 65 9.012 9.747 -9.744 1.00 0.00 N ATOM 1045 CA ARG A 65 10.003 8.871 -10.350 1.00 0.00 C ATOM 1046 C ARG A 65 9.684 8.615 -11.820 1.00 0.00 C ATOM 1047 O ARG A 65 10.586 8.458 -12.642 1.00 0.00 O ATOM 1048 CB ARG A 65 10.054 7.546 -9.589 1.00 0.00 C ATOM 1049 CG ARG A 65 11.073 6.556 -10.129 1.00 0.00 C ATOM 1050 CD ARG A 65 11.104 5.294 -9.288 1.00 0.00 C ATOM 1051 NE ARG A 65 11.404 5.591 -7.891 1.00 0.00 N ATOM 1052 CZ ARG A 65 11.034 4.828 -6.865 1.00 0.00 C ATOM 1053 NH1 ARG A 65 10.358 3.702 -7.066 1.00 0.00 N ATOM 1054 NH2 ARG A 65 11.345 5.188 -5.632 1.00 0.00 N ATOM 0 H ARG A 65 8.368 9.275 -9.109 1.00 0.00 H new ATOM 0 HA ARG A 65 10.975 9.361 -10.294 1.00 0.00 H new ATOM 0 HB2 ARG A 65 10.281 7.749 -8.543 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.066 7.086 -9.617 1.00 0.00 H new ATOM 0 HG2 ARG A 65 10.829 6.304 -11.161 1.00 0.00 H new ATOM 0 HG3 ARG A 65 12.062 7.015 -10.139 1.00 0.00 H new ATOM 0 HD2 ARG A 65 10.141 4.787 -9.355 1.00 0.00 H new ATOM 0 HD3 ARG A 65 11.853 4.609 -9.685 1.00 0.00 H new ATOM 0 HE ARG A 65 11.932 6.439 -7.687 1.00 0.00 H new ATOM 0 HH11 ARG A 65 10.117 3.414 -8.014 1.00 0.00 H new ATOM 0 HH12 ARG A 65 10.080 3.125 -6.272 1.00 0.00 H new ATOM 0 HH21 ARG A 65 11.867 6.049 -5.468 1.00 0.00 H new ATOM 0 HH22 ARG A 65 11.063 4.605 -4.844 1.00 0.00 H new ATOM 1068 N GLY A 66 8.398 8.587 -12.149 1.00 0.00 N ATOM 1069 CA GLY A 66 7.991 8.278 -13.505 1.00 0.00 C ATOM 1070 C GLY A 66 7.502 6.851 -13.636 1.00 0.00 C ATOM 1071 O GLY A 66 7.434 6.302 -14.738 1.00 0.00 O ATOM 0 H GLY A 66 7.632 8.772 -11.502 1.00 0.00 H new ATOM 0 HA2 GLY A 66 7.200 8.962 -13.812 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.831 8.438 -14.181 1.00 0.00 H new ATOM 1075 N ALA A 67 7.174 6.247 -12.504 1.00 0.00 N ATOM 1076 CA ALA A 67 6.649 4.894 -12.479 1.00 0.00 C ATOM 1077 C ALA A 67 5.150 4.929 -12.219 1.00 0.00 C ATOM 1078 O ALA A 67 4.702 4.777 -11.085 1.00 0.00 O ATOM 1079 CB ALA A 67 7.364 4.065 -11.420 1.00 0.00 C ATOM 0 H ALA A 67 7.264 6.679 -11.584 1.00 0.00 H new ATOM 0 HA ALA A 67 6.825 4.425 -13.447 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.958 3.053 -11.415 1.00 0.00 H new ATOM 0 HB2 ALA A 67 8.430 4.027 -11.646 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.216 4.520 -10.441 1.00 0.00 H new ATOM 1085 N MET A 68 4.381 5.140 -13.275 1.00 0.00 N ATOM 1086 CA MET A 68 2.952 5.386 -13.136 1.00 0.00 C ATOM 1087 C MET A 68 2.187 4.090 -12.917 1.00 0.00 C ATOM 1088 O MET A 68 1.222 4.054 -12.151 1.00 0.00 O ATOM 1089 CB MET A 68 2.407 6.129 -14.357 1.00 0.00 C ATOM 1090 CG MET A 68 3.208 7.371 -14.720 1.00 0.00 C ATOM 1091 SD MET A 68 3.661 8.370 -13.283 1.00 0.00 S ATOM 1092 CE MET A 68 2.053 8.774 -12.607 1.00 0.00 C ATOM 0 H MET A 68 4.720 5.146 -14.237 1.00 0.00 H new ATOM 0 HA MET A 68 2.809 6.014 -12.257 1.00 0.00 H new ATOM 0 HB2 MET A 68 2.397 5.451 -15.210 1.00 0.00 H new ATOM 0 HB3 MET A 68 1.373 6.416 -14.166 1.00 0.00 H new ATOM 0 HG2 MET A 68 4.114 7.070 -15.246 1.00 0.00 H new ATOM 0 HG3 MET A 68 2.626 7.982 -15.411 1.00 0.00 H new ATOM 0 HE1 MET A 68 1.973 9.853 -12.479 1.00 0.00 H new ATOM 0 HE2 MET A 68 1.275 8.431 -13.289 1.00 0.00 H new ATOM 0 HE3 MET A 68 1.931 8.284 -11.641 1.00 0.00 H new ATOM 1102 N GLU A 69 2.618 3.026 -13.581 1.00 0.00 N ATOM 1103 CA GLU A 69 2.010 1.717 -13.384 1.00 0.00 C ATOM 1104 C GLU A 69 2.190 1.269 -11.939 1.00 0.00 C ATOM 1105 O GLU A 69 1.235 0.855 -11.285 1.00 0.00 O ATOM 1106 CB GLU A 69 2.616 0.686 -14.338 1.00 0.00 C ATOM 1107 CG GLU A 69 2.206 0.881 -15.789 1.00 0.00 C ATOM 1108 CD GLU A 69 0.718 0.683 -16.002 1.00 0.00 C ATOM 1109 OE1 GLU A 69 0.247 -0.467 -15.889 1.00 0.00 O ATOM 1110 OE2 GLU A 69 0.010 1.670 -16.292 1.00 0.00 O ATOM 0 H GLU A 69 3.382 3.043 -14.257 1.00 0.00 H new ATOM 0 HA GLU A 69 0.945 1.796 -13.601 1.00 0.00 H new ATOM 0 HB2 GLU A 69 3.703 0.733 -14.267 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.319 -0.312 -14.017 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.486 1.884 -16.111 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.756 0.180 -16.416 1.00 0.00 H new ATOM 1117 N ARG A 70 3.417 1.384 -11.439 1.00 0.00 N ATOM 1118 CA ARG A 70 3.721 1.035 -10.056 1.00 0.00 C ATOM 1119 C ARG A 70 2.942 1.918 -9.084 1.00 0.00 C ATOM 1120 O ARG A 70 2.540 1.465 -8.015 1.00 0.00 O ATOM 1121 CB ARG A 70 5.223 1.157 -9.793 1.00 0.00 C ATOM 1122 CG ARG A 70 6.056 0.092 -10.490 1.00 0.00 C ATOM 1123 CD ARG A 70 7.545 0.367 -10.347 1.00 0.00 C ATOM 1124 NE ARG A 70 8.361 -0.683 -10.958 1.00 0.00 N ATOM 1125 CZ ARG A 70 9.137 -0.503 -12.028 1.00 0.00 C ATOM 1126 NH1 ARG A 70 9.173 0.675 -12.637 1.00 0.00 N ATOM 1127 NH2 ARG A 70 9.869 -1.506 -12.492 1.00 0.00 N ATOM 0 H ARG A 70 4.219 1.717 -11.974 1.00 0.00 H new ATOM 0 HA ARG A 70 3.418 0.001 -9.895 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.561 2.141 -10.119 1.00 0.00 H new ATOM 0 HB3 ARG A 70 5.400 1.099 -8.719 1.00 0.00 H new ATOM 0 HG2 ARG A 70 5.824 -0.886 -10.069 1.00 0.00 H new ATOM 0 HG3 ARG A 70 5.791 0.056 -11.547 1.00 0.00 H new ATOM 0 HD2 ARG A 70 7.782 1.325 -10.810 1.00 0.00 H new ATOM 0 HD3 ARG A 70 7.797 0.452 -9.290 1.00 0.00 H new ATOM 0 HE ARG A 70 8.335 -1.612 -10.539 1.00 0.00 H new ATOM 0 HH11 ARG A 70 8.606 1.447 -12.287 1.00 0.00 H new ATOM 0 HH12 ARG A 70 9.768 0.808 -13.455 1.00 0.00 H new ATOM 0 HH21 ARG A 70 9.839 -2.415 -12.031 1.00 0.00 H new ATOM 0 HH22 ARG A 70 10.462 -1.368 -13.310 1.00 0.00 H new ATOM 1141 N ALA A 71 2.717 3.170 -9.474 1.00 0.00 N ATOM 1142 CA ALA A 71 1.951 4.102 -8.655 1.00 0.00 C ATOM 1143 C ALA A 71 0.510 3.629 -8.498 1.00 0.00 C ATOM 1144 O ALA A 71 -0.087 3.760 -7.427 1.00 0.00 O ATOM 1145 CB ALA A 71 1.982 5.497 -9.263 1.00 0.00 C ATOM 0 H ALA A 71 3.055 3.562 -10.353 1.00 0.00 H new ATOM 0 HA ALA A 71 2.411 4.140 -7.667 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.405 6.179 -8.638 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.013 5.845 -9.324 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.550 5.468 -10.263 1.00 0.00 H new ATOM 1151 N ASN A 72 -0.048 3.076 -9.567 1.00 0.00 N ATOM 1152 CA ASN A 72 -1.414 2.564 -9.526 1.00 0.00 C ATOM 1153 C ASN A 72 -1.448 1.207 -8.831 1.00 0.00 C ATOM 1154 O ASN A 72 -2.404 0.887 -8.119 1.00 0.00 O ATOM 1155 CB ASN A 72 -1.999 2.447 -10.934 1.00 0.00 C ATOM 1156 CG ASN A 72 -3.493 2.184 -10.914 1.00 0.00 C ATOM 1157 OD1 ASN A 72 -4.208 2.649 -10.024 1.00 0.00 O ATOM 1158 ND2 ASN A 72 -3.974 1.426 -11.883 1.00 0.00 N ATOM 0 H ASN A 72 0.419 2.970 -10.468 1.00 0.00 H new ATOM 0 HA ASN A 72 -2.023 3.270 -8.961 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -1.801 3.366 -11.485 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.497 1.640 -11.468 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -4.970 1.207 -11.913 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -3.350 1.060 -12.602 1.00 0.00 H new ATOM 1165 N LYS A 73 -0.396 0.412 -9.036 1.00 0.00 N ATOM 1166 CA LYS A 73 -0.243 -0.854 -8.325 1.00 0.00 C ATOM 1167 C LYS A 73 -0.263 -0.603 -6.824 1.00 0.00 C ATOM 1168 O LYS A 73 -0.970 -1.280 -6.080 1.00 0.00 O ATOM 1169 CB LYS A 73 1.066 -1.557 -8.707 1.00 0.00 C ATOM 1170 CG LYS A 73 1.145 -1.988 -10.164 1.00 0.00 C ATOM 1171 CD LYS A 73 2.463 -2.689 -10.458 1.00 0.00 C ATOM 1172 CE LYS A 73 2.610 -3.030 -11.934 1.00 0.00 C ATOM 1173 NZ LYS A 73 1.549 -3.958 -12.408 1.00 0.00 N ATOM 0 H LYS A 73 0.360 0.624 -9.687 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.073 -1.502 -8.607 1.00 0.00 H new ATOM 0 HB2 LYS A 73 1.900 -0.888 -8.493 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.191 -2.435 -8.074 1.00 0.00 H new ATOM 0 HG2 LYS A 73 0.315 -2.656 -10.394 1.00 0.00 H new ATOM 0 HG3 LYS A 73 1.041 -1.116 -10.810 1.00 0.00 H new ATOM 0 HD2 LYS A 73 3.290 -2.050 -10.149 1.00 0.00 H new ATOM 0 HD3 LYS A 73 2.528 -3.602 -9.867 1.00 0.00 H new ATOM 0 HE2 LYS A 73 2.576 -2.113 -12.522 1.00 0.00 H new ATOM 0 HE3 LYS A 73 3.587 -3.482 -12.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.748 -4.241 -13.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.530 -4.802 -11.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 0.626 -3.481 -12.366 1.00 0.00 H new ATOM 1187 N ALA A 74 0.515 0.386 -6.394 1.00 0.00 N ATOM 1188 CA ALA A 74 0.541 0.796 -5.000 1.00 0.00 C ATOM 1189 C ALA A 74 -0.844 1.221 -4.545 1.00 0.00 C ATOM 1190 O ALA A 74 -1.344 0.751 -3.527 1.00 0.00 O ATOM 1191 CB ALA A 74 1.523 1.942 -4.799 1.00 0.00 C ATOM 0 H ALA A 74 1.139 0.920 -6.999 1.00 0.00 H new ATOM 0 HA ALA A 74 0.864 -0.056 -4.401 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.529 2.236 -3.749 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.522 1.620 -5.092 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.221 2.791 -5.412 1.00 0.00 H new ATOM 1197 N ARG A 75 -1.458 2.096 -5.333 1.00 0.00 N ATOM 1198 CA ARG A 75 -2.768 2.662 -5.023 1.00 0.00 C ATOM 1199 C ARG A 75 -3.788 1.585 -4.652 1.00 0.00 C ATOM 1200 O ARG A 75 -4.315 1.572 -3.539 1.00 0.00 O ATOM 1201 CB ARG A 75 -3.278 3.452 -6.229 1.00 0.00 C ATOM 1202 CG ARG A 75 -4.558 4.226 -5.963 1.00 0.00 C ATOM 1203 CD ARG A 75 -5.142 4.785 -7.250 1.00 0.00 C ATOM 1204 NE ARG A 75 -4.149 5.527 -8.033 1.00 0.00 N ATOM 1205 CZ ARG A 75 -4.358 5.975 -9.276 1.00 0.00 C ATOM 1206 NH1 ARG A 75 -5.506 5.729 -9.896 1.00 0.00 N ATOM 1207 NH2 ARG A 75 -3.407 6.659 -9.904 1.00 0.00 N ATOM 0 H ARG A 75 -1.060 2.435 -6.209 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.650 3.317 -4.160 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.503 4.149 -6.548 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.447 2.763 -7.057 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.287 3.573 -5.483 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.355 5.041 -5.269 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.539 3.968 -7.852 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.979 5.442 -7.012 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.243 5.713 -7.603 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -6.236 5.195 -9.424 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -5.658 6.074 -10.844 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.518 6.842 -9.438 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.566 7.001 -10.852 1.00 0.00 H new ATOM 1221 N ARG A 76 -4.054 0.673 -5.578 1.00 0.00 N ATOM 1222 CA ARG A 76 -5.129 -0.291 -5.389 1.00 0.00 C ATOM 1223 C ARG A 76 -4.723 -1.422 -4.450 1.00 0.00 C ATOM 1224 O ARG A 76 -5.568 -1.993 -3.762 1.00 0.00 O ATOM 1225 CB ARG A 76 -5.597 -0.863 -6.729 1.00 0.00 C ATOM 1226 CG ARG A 76 -5.983 0.204 -7.743 1.00 0.00 C ATOM 1227 CD ARG A 76 -6.943 -0.335 -8.794 1.00 0.00 C ATOM 1228 NE ARG A 76 -6.512 -1.621 -9.339 1.00 0.00 N ATOM 1229 CZ ARG A 76 -6.270 -1.847 -10.629 1.00 0.00 C ATOM 1230 NH1 ARG A 76 -6.375 -0.863 -11.515 1.00 0.00 N ATOM 1231 NH2 ARG A 76 -5.927 -3.065 -11.029 1.00 0.00 N ATOM 0 H ARG A 76 -3.546 0.581 -6.458 1.00 0.00 H new ATOM 0 HA ARG A 76 -5.957 0.246 -4.927 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.803 -1.481 -7.148 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -6.453 -1.516 -6.557 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -6.445 1.046 -7.227 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -5.085 0.583 -8.231 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -7.934 -0.444 -8.354 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -7.032 0.388 -9.605 1.00 0.00 H new ATOM 0 HE ARG A 76 -6.388 -2.397 -8.688 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -6.642 0.073 -11.209 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -6.188 -1.043 -12.501 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -5.850 -3.822 -10.350 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -5.740 -3.244 -12.016 1.00 0.00 H new ATOM 1245 N ARG A 77 -3.436 -1.745 -4.399 1.00 0.00 N ATOM 1246 CA ARG A 77 -2.981 -2.828 -3.537 1.00 0.00 C ATOM 1247 C ARG A 77 -2.872 -2.379 -2.086 1.00 0.00 C ATOM 1248 O ARG A 77 -3.029 -3.189 -1.176 1.00 0.00 O ATOM 1249 CB ARG A 77 -1.671 -3.431 -4.033 1.00 0.00 C ATOM 1250 CG ARG A 77 -1.885 -4.430 -5.157 1.00 0.00 C ATOM 1251 CD ARG A 77 -0.588 -5.078 -5.601 1.00 0.00 C ATOM 1252 NE ARG A 77 -0.835 -6.255 -6.436 1.00 0.00 N ATOM 1253 CZ ARG A 77 -0.197 -6.510 -7.576 1.00 0.00 C ATOM 1254 NH1 ARG A 77 0.666 -5.627 -8.068 1.00 0.00 N ATOM 1255 NH2 ARG A 77 -0.436 -7.637 -8.237 1.00 0.00 N ATOM 0 H ARG A 77 -2.701 -1.282 -4.934 1.00 0.00 H new ATOM 0 HA ARG A 77 -3.736 -3.613 -3.581 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -1.014 -2.633 -4.379 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -1.163 -3.924 -3.204 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -2.581 -5.202 -4.828 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -2.347 -3.926 -6.006 1.00 0.00 H new ATOM 0 HD2 ARG A 77 0.010 -4.355 -6.157 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -0.006 -5.367 -4.726 1.00 0.00 H new ATOM 0 HE ARG A 77 -1.541 -6.922 -6.124 1.00 0.00 H new ATOM 0 HH11 ARG A 77 0.840 -4.753 -7.572 1.00 0.00 H new ATOM 0 HH12 ARG A 77 1.154 -5.823 -8.942 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -1.110 -8.310 -7.871 1.00 0.00 H new ATOM 0 HH22 ARG A 77 0.054 -7.830 -9.110 1.00 0.00 H new ATOM 1269 N CYS A 78 -2.620 -1.093 -1.861 1.00 0.00 N ATOM 1270 CA CYS A 78 -2.726 -0.546 -0.515 1.00 0.00 C ATOM 1271 C CYS A 78 -4.176 -0.630 -0.066 1.00 0.00 C ATOM 1272 O CYS A 78 -4.467 -1.000 1.072 1.00 0.00 O ATOM 1273 CB CYS A 78 -2.232 0.901 -0.453 1.00 0.00 C ATOM 1274 SG CYS A 78 -0.462 1.090 -0.772 1.00 0.00 S ATOM 0 H CYS A 78 -2.346 -0.422 -2.579 1.00 0.00 H new ATOM 0 HA CYS A 78 -2.093 -1.130 0.152 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -2.787 1.495 -1.180 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -2.459 1.309 0.532 1.00 0.00 H new ATOM 0 HG CYS A 78 -0.243 1.029 -2.052 1.00 0.00 H new ATOM 1280 N GLY A 79 -5.083 -0.304 -0.988 1.00 0.00 N ATOM 1281 CA GLY A 79 -6.500 -0.471 -0.739 1.00 0.00 C ATOM 1282 C GLY A 79 -6.856 -1.904 -0.393 1.00 0.00 C ATOM 1283 O GLY A 79 -7.741 -2.150 0.426 1.00 0.00 O ATOM 0 H GLY A 79 -4.855 0.075 -1.907 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.803 0.184 0.078 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.061 -0.162 -1.621 1.00 0.00 H new ATOM 1287 N GLU A 80 -6.158 -2.853 -1.013 1.00 0.00 N ATOM 1288 CA GLU A 80 -6.363 -4.267 -0.725 1.00 0.00 C ATOM 1289 C GLU A 80 -5.916 -4.585 0.701 1.00 0.00 C ATOM 1290 O GLU A 80 -6.587 -5.325 1.417 1.00 0.00 O ATOM 1291 CB GLU A 80 -5.610 -5.142 -1.733 1.00 0.00 C ATOM 1292 CG GLU A 80 -5.946 -6.622 -1.620 1.00 0.00 C ATOM 1293 CD GLU A 80 -5.250 -7.470 -2.667 1.00 0.00 C ATOM 1294 OE1 GLU A 80 -5.639 -7.403 -3.852 1.00 0.00 O ATOM 1295 OE2 GLU A 80 -4.321 -8.220 -2.309 1.00 0.00 O ATOM 0 H GLU A 80 -5.445 -2.666 -1.718 1.00 0.00 H new ATOM 0 HA GLU A 80 -7.427 -4.487 -0.815 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -5.841 -4.801 -2.742 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.538 -5.009 -1.589 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.667 -6.978 -0.628 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.024 -6.752 -1.713 1.00 0.00 H new ATOM 1302 N VAL A 81 -4.787 -4.012 1.113 1.00 0.00 N ATOM 1303 CA VAL A 81 -4.294 -4.184 2.476 1.00 0.00 C ATOM 1304 C VAL A 81 -5.287 -3.599 3.480 1.00 0.00 C ATOM 1305 O VAL A 81 -5.602 -4.226 4.495 1.00 0.00 O ATOM 1306 CB VAL A 81 -2.911 -3.521 2.674 1.00 0.00 C ATOM 1307 CG1 VAL A 81 -2.407 -3.731 4.095 1.00 0.00 C ATOM 1308 CG2 VAL A 81 -1.906 -4.060 1.668 1.00 0.00 C ATOM 0 H VAL A 81 -4.198 -3.425 0.522 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.187 -5.255 2.648 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.025 -2.450 2.507 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.433 -3.256 4.210 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.111 -3.289 4.800 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.315 -4.799 4.295 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.940 -3.580 1.826 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.802 -5.137 1.799 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.255 -3.850 0.657 1.00 0.00 H new ATOM 1318 N PHE A 82 -5.788 -2.401 3.181 1.00 0.00 N ATOM 1319 CA PHE A 82 -6.816 -1.772 4.007 1.00 0.00 C ATOM 1320 C PHE A 82 -8.047 -2.668 4.090 1.00 0.00 C ATOM 1321 O PHE A 82 -8.548 -2.959 5.175 1.00 0.00 O ATOM 1322 CB PHE A 82 -7.216 -0.404 3.440 1.00 0.00 C ATOM 1323 CG PHE A 82 -6.150 0.652 3.546 1.00 0.00 C ATOM 1324 CD1 PHE A 82 -5.583 0.961 4.770 1.00 0.00 C ATOM 1325 CD2 PHE A 82 -5.720 1.339 2.424 1.00 0.00 C ATOM 1326 CE1 PHE A 82 -4.606 1.932 4.872 1.00 0.00 C ATOM 1327 CE2 PHE A 82 -4.745 2.311 2.518 1.00 0.00 C ATOM 1328 CZ PHE A 82 -4.186 2.609 3.744 1.00 0.00 C ATOM 0 H PHE A 82 -5.499 -1.848 2.374 1.00 0.00 H new ATOM 0 HA PHE A 82 -6.403 -1.629 5.005 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.487 -0.525 2.391 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -8.108 -0.056 3.961 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -5.908 0.437 5.656 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -6.154 1.111 1.461 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.171 2.162 5.833 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -4.420 2.838 1.633 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.423 3.369 3.821 1.00 0.00 H new ATOM 1338 N ARG A 83 -8.515 -3.106 2.926 1.00 0.00 N ATOM 1339 CA ARG A 83 -9.668 -3.996 2.823 1.00 0.00 C ATOM 1340 C ARG A 83 -9.452 -5.278 3.624 1.00 0.00 C ATOM 1341 O ARG A 83 -10.370 -5.772 4.284 1.00 0.00 O ATOM 1342 CB ARG A 83 -9.931 -4.307 1.344 1.00 0.00 C ATOM 1343 CG ARG A 83 -10.764 -5.554 1.091 1.00 0.00 C ATOM 1344 CD ARG A 83 -11.113 -5.695 -0.386 1.00 0.00 C ATOM 1345 NE ARG A 83 -10.004 -5.301 -1.259 1.00 0.00 N ATOM 1346 CZ ARG A 83 -9.793 -5.799 -2.480 1.00 0.00 C ATOM 1347 NH1 ARG A 83 -10.543 -6.794 -2.938 1.00 0.00 N ATOM 1348 NH2 ARG A 83 -8.811 -5.314 -3.230 1.00 0.00 N ATOM 0 H ARG A 83 -8.106 -2.854 2.026 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.541 -3.499 3.247 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -10.435 -3.453 0.892 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -8.974 -4.418 0.835 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -10.214 -6.435 1.423 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -11.680 -5.508 1.681 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -11.388 -6.729 -0.595 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -11.985 -5.082 -0.611 1.00 0.00 H new ATOM 0 HE ARG A 83 -9.350 -4.600 -0.911 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -11.285 -7.182 -2.356 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -10.377 -7.170 -3.872 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -8.220 -4.563 -2.873 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -8.647 -5.692 -4.163 1.00 0.00 H new ATOM 1362 N TYR A 84 -8.234 -5.800 3.580 1.00 0.00 N ATOM 1363 CA TYR A 84 -7.901 -7.007 4.315 1.00 0.00 C ATOM 1364 C TYR A 84 -8.006 -6.753 5.813 1.00 0.00 C ATOM 1365 O TYR A 84 -8.703 -7.470 6.510 1.00 0.00 O ATOM 1366 CB TYR A 84 -6.496 -7.494 3.951 1.00 0.00 C ATOM 1367 CG TYR A 84 -6.212 -8.904 4.416 1.00 0.00 C ATOM 1368 CD1 TYR A 84 -6.838 -9.983 3.809 1.00 0.00 C ATOM 1369 CD2 TYR A 84 -5.328 -9.156 5.460 1.00 0.00 C ATOM 1370 CE1 TYR A 84 -6.596 -11.275 4.226 1.00 0.00 C ATOM 1371 CE2 TYR A 84 -5.081 -10.448 5.883 1.00 0.00 C ATOM 1372 CZ TYR A 84 -5.717 -11.503 5.262 1.00 0.00 C ATOM 1373 OH TYR A 84 -5.478 -12.793 5.677 1.00 0.00 O ATOM 0 H TYR A 84 -7.462 -5.405 3.043 1.00 0.00 H new ATOM 0 HA TYR A 84 -8.611 -7.787 4.040 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -6.370 -7.443 2.869 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -5.760 -6.819 4.389 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -7.527 -9.808 2.996 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -4.828 -8.331 5.946 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -7.093 -12.103 3.743 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -4.394 -10.631 6.696 1.00 0.00 H new ATOM 0 HH TYR A 84 -4.920 -13.252 5.015 1.00 0.00 H new ATOM 1383 N ALA A 85 -7.339 -5.712 6.294 1.00 0.00 N ATOM 1384 CA ALA A 85 -7.392 -5.346 7.707 1.00 0.00 C ATOM 1385 C ALA A 85 -8.827 -5.143 8.191 1.00 0.00 C ATOM 1386 O ALA A 85 -9.127 -5.353 9.370 1.00 0.00 O ATOM 1387 CB ALA A 85 -6.574 -4.093 7.956 1.00 0.00 C ATOM 0 H ALA A 85 -6.752 -5.102 5.725 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.967 -6.173 8.275 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.622 -3.831 9.013 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.537 -4.274 7.674 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.975 -3.273 7.360 1.00 0.00 H new ATOM 1393 N ILE A 86 -9.710 -4.733 7.287 1.00 0.00 N ATOM 1394 CA ILE A 86 -11.122 -4.575 7.616 1.00 0.00 C ATOM 1395 C ILE A 86 -11.758 -5.929 7.931 1.00 0.00 C ATOM 1396 O ILE A 86 -12.390 -6.094 8.974 1.00 0.00 O ATOM 1397 CB ILE A 86 -11.902 -3.877 6.478 1.00 0.00 C ATOM 1398 CG1 ILE A 86 -11.388 -2.446 6.293 1.00 0.00 C ATOM 1399 CG2 ILE A 86 -13.397 -3.876 6.773 1.00 0.00 C ATOM 1400 CD1 ILE A 86 -12.023 -1.708 5.135 1.00 0.00 C ATOM 0 H ILE A 86 -9.473 -4.504 6.322 1.00 0.00 H new ATOM 0 HA ILE A 86 -11.178 -3.940 8.500 1.00 0.00 H new ATOM 0 HB ILE A 86 -11.741 -4.430 5.553 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -11.568 -1.885 7.210 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.309 -2.475 6.144 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -13.928 -3.380 5.960 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -13.751 -4.903 6.864 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -13.583 -3.344 7.706 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -11.606 -0.703 5.071 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -11.821 -2.244 4.208 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -13.100 -1.645 5.291 1.00 0.00 H new ATOM 1412 N VAL A 87 -11.569 -6.905 7.046 1.00 0.00 N ATOM 1413 CA VAL A 87 -12.096 -8.248 7.282 1.00 0.00 C ATOM 1414 C VAL A 87 -11.276 -8.964 8.357 1.00 0.00 C ATOM 1415 O VAL A 87 -11.762 -9.873 9.032 1.00 0.00 O ATOM 1416 CB VAL A 87 -12.144 -9.096 5.987 1.00 0.00 C ATOM 1417 CG1 VAL A 87 -13.095 -8.471 4.980 1.00 0.00 C ATOM 1418 CG2 VAL A 87 -10.762 -9.265 5.373 1.00 0.00 C ATOM 0 H VAL A 87 -11.061 -6.794 6.168 1.00 0.00 H new ATOM 0 HA VAL A 87 -13.122 -8.133 7.632 1.00 0.00 H new ATOM 0 HB VAL A 87 -12.510 -10.087 6.256 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -13.118 -9.079 4.075 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -14.096 -8.420 5.408 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -12.754 -7.465 4.733 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.838 -9.866 4.467 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -10.351 -8.286 5.126 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -10.106 -9.765 6.086 1.00 0.00 H new ATOM 1428 N THR A 88 -10.032 -8.529 8.505 1.00 0.00 N ATOM 1429 CA THR A 88 -9.149 -8.982 9.570 1.00 0.00 C ATOM 1430 C THR A 88 -9.671 -8.531 10.937 1.00 0.00 C ATOM 1431 O THR A 88 -9.499 -9.219 11.943 1.00 0.00 O ATOM 1432 CB THR A 88 -7.725 -8.429 9.330 1.00 0.00 C ATOM 1433 OG1 THR A 88 -7.151 -9.046 8.175 1.00 0.00 O ATOM 1434 CG2 THR A 88 -6.807 -8.642 10.515 1.00 0.00 C ATOM 0 H THR A 88 -9.603 -7.844 7.882 1.00 0.00 H new ATOM 0 HA THR A 88 -9.119 -10.072 9.563 1.00 0.00 H new ATOM 0 HB THR A 88 -7.825 -7.354 9.180 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.611 -8.726 7.371 1.00 0.00 H new ATOM 0 HG21 THR A 88 -5.822 -8.234 10.290 1.00 0.00 H new ATOM 0 HG22 THR A 88 -7.218 -8.137 11.389 1.00 0.00 H new ATOM 0 HG23 THR A 88 -6.720 -9.709 10.721 1.00 0.00 H new ATOM 1442 N GLY A 89 -10.327 -7.377 10.960 1.00 0.00 N ATOM 1443 CA GLY A 89 -10.880 -6.864 12.196 1.00 0.00 C ATOM 1444 C GLY A 89 -9.949 -5.884 12.878 1.00 0.00 C ATOM 1445 O GLY A 89 -10.048 -5.656 14.084 1.00 0.00 O ATOM 0 H GLY A 89 -10.485 -6.788 10.143 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -11.832 -6.375 11.990 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -11.088 -7.694 12.871 1.00 0.00 H new ATOM 1449 N ARG A 90 -9.038 -5.306 12.110 1.00 0.00 N ATOM 1450 CA ARG A 90 -8.090 -4.338 12.647 1.00 0.00 C ATOM 1451 C ARG A 90 -8.263 -2.979 11.981 1.00 0.00 C ATOM 1452 O ARG A 90 -7.535 -2.034 12.278 1.00 0.00 O ATOM 1453 CB ARG A 90 -6.655 -4.844 12.482 1.00 0.00 C ATOM 1454 CG ARG A 90 -6.299 -5.954 13.460 1.00 0.00 C ATOM 1455 CD ARG A 90 -4.920 -6.531 13.191 1.00 0.00 C ATOM 1456 NE ARG A 90 -4.529 -7.497 14.218 1.00 0.00 N ATOM 1457 CZ ARG A 90 -4.245 -8.778 13.975 1.00 0.00 C ATOM 1458 NH1 ARG A 90 -4.364 -9.268 12.745 1.00 0.00 N ATOM 1459 NH2 ARG A 90 -3.857 -9.573 14.966 1.00 0.00 N ATOM 0 H ARG A 90 -8.934 -5.490 11.112 1.00 0.00 H new ATOM 0 HA ARG A 90 -8.292 -4.218 13.711 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -6.519 -5.207 11.463 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.964 -4.012 12.619 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -6.337 -5.566 14.478 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -7.043 -6.748 13.394 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.912 -7.015 12.214 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -4.189 -5.724 13.153 1.00 0.00 H new ATOM 0 HE ARG A 90 -4.470 -7.170 15.182 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -4.673 -8.664 11.983 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -4.146 -10.248 12.563 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -3.776 -9.204 15.914 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -3.640 -10.552 14.779 1.00 0.00 H new ATOM 1473 N ALA A 91 -9.233 -2.882 11.085 1.00 0.00 N ATOM 1474 CA ALA A 91 -9.556 -1.619 10.439 1.00 0.00 C ATOM 1475 C ALA A 91 -11.061 -1.490 10.252 1.00 0.00 C ATOM 1476 O ALA A 91 -11.729 -2.447 9.863 1.00 0.00 O ATOM 1477 CB ALA A 91 -8.839 -1.497 9.102 1.00 0.00 C ATOM 0 H ALA A 91 -9.813 -3.667 10.788 1.00 0.00 H new ATOM 0 HA ALA A 91 -9.215 -0.808 11.082 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.095 -0.545 8.637 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -7.762 -1.545 9.261 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -9.146 -2.314 8.449 1.00 0.00 H new ATOM 1483 N LYS A 92 -11.591 -0.315 10.553 1.00 0.00 N ATOM 1484 CA LYS A 92 -13.013 -0.054 10.383 1.00 0.00 C ATOM 1485 C LYS A 92 -13.244 0.720 9.090 1.00 0.00 C ATOM 1486 O LYS A 92 -14.177 0.443 8.333 1.00 0.00 O ATOM 1487 CB LYS A 92 -13.554 0.725 11.583 1.00 0.00 C ATOM 1488 CG LYS A 92 -15.065 0.876 11.583 1.00 0.00 C ATOM 1489 CD LYS A 92 -15.550 1.591 12.833 1.00 0.00 C ATOM 1490 CE LYS A 92 -17.066 1.647 12.889 1.00 0.00 C ATOM 1491 NZ LYS A 92 -17.553 2.318 14.123 1.00 0.00 N ATOM 0 H LYS A 92 -11.058 0.475 10.917 1.00 0.00 H new ATOM 0 HA LYS A 92 -13.547 -1.002 10.323 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -13.248 0.221 12.500 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -13.099 1.715 11.597 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -15.377 1.433 10.699 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -15.531 -0.108 11.521 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -15.171 1.078 13.717 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -15.146 2.603 12.854 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -17.442 2.179 12.015 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -17.468 0.635 12.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -18.593 2.335 14.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -17.216 1.797 14.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -17.191 3.292 14.154 1.00 0.00 H new ATOM 1505 N TYR A 93 -12.383 1.694 8.844 1.00 0.00 N ATOM 1506 CA TYR A 93 -12.397 2.433 7.596 1.00 0.00 C ATOM 1507 C TYR A 93 -10.963 2.665 7.148 1.00 0.00 C ATOM 1508 O TYR A 93 -10.027 2.365 7.889 1.00 0.00 O ATOM 1509 CB TYR A 93 -13.147 3.766 7.741 1.00 0.00 C ATOM 1510 CG TYR A 93 -12.439 4.808 8.586 1.00 0.00 C ATOM 1511 CD1 TYR A 93 -12.615 4.860 9.961 1.00 0.00 C ATOM 1512 CD2 TYR A 93 -11.603 5.752 7.999 1.00 0.00 C ATOM 1513 CE1 TYR A 93 -11.978 5.820 10.727 1.00 0.00 C ATOM 1514 CE2 TYR A 93 -10.962 6.712 8.756 1.00 0.00 C ATOM 1515 CZ TYR A 93 -11.152 6.744 10.120 1.00 0.00 C ATOM 1516 OH TYR A 93 -10.518 7.701 10.878 1.00 0.00 O ATOM 0 H TYR A 93 -11.660 1.992 9.500 1.00 0.00 H new ATOM 0 HA TYR A 93 -12.927 1.850 6.843 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -13.318 4.180 6.747 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -14.126 3.570 8.177 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -13.260 4.139 10.441 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -11.452 5.734 6.930 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -12.127 5.846 11.796 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -10.315 7.434 8.281 1.00 0.00 H new ATOM 0 HH TYR A 93 -9.974 8.271 10.296 1.00 0.00 H new ATOM 1526 N ASN A 94 -10.788 3.199 5.953 1.00 0.00 N ATOM 1527 CA ASN A 94 -9.457 3.398 5.407 1.00 0.00 C ATOM 1528 C ASN A 94 -9.297 4.813 4.860 1.00 0.00 C ATOM 1529 O ASN A 94 -10.282 5.486 4.562 1.00 0.00 O ATOM 1530 CB ASN A 94 -9.171 2.350 4.320 1.00 0.00 C ATOM 1531 CG ASN A 94 -10.231 2.290 3.229 1.00 0.00 C ATOM 1532 OD1 ASN A 94 -10.842 3.293 2.872 1.00 0.00 O ATOM 1533 ND2 ASN A 94 -10.457 1.099 2.694 1.00 0.00 N ATOM 0 H ASN A 94 -11.548 3.502 5.343 1.00 0.00 H new ATOM 0 HA ASN A 94 -8.730 3.272 6.209 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -8.205 2.568 3.864 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -9.088 1.369 4.787 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -11.158 0.994 1.960 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -9.930 0.287 3.016 1.00 0.00 H new ATOM 1540 N PRO A 95 -8.051 5.298 4.748 1.00 0.00 N ATOM 1541 CA PRO A 95 -7.755 6.611 4.175 1.00 0.00 C ATOM 1542 C PRO A 95 -7.792 6.608 2.645 1.00 0.00 C ATOM 1543 O PRO A 95 -7.240 7.498 2.002 1.00 0.00 O ATOM 1544 CB PRO A 95 -6.329 6.917 4.668 1.00 0.00 C ATOM 1545 CG PRO A 95 -5.964 5.800 5.594 1.00 0.00 C ATOM 1546 CD PRO A 95 -6.832 4.638 5.215 1.00 0.00 C ATOM 0 HA PRO A 95 -8.495 7.352 4.479 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -5.631 6.975 3.832 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -6.292 7.878 5.182 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -4.909 5.545 5.498 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -6.129 6.086 6.633 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -6.376 4.027 4.436 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -7.025 3.981 6.063 1.00 0.00 H new ATOM 1554 N ALA A 96 -8.456 5.612 2.063 1.00 0.00 N ATOM 1555 CA ALA A 96 -8.566 5.508 0.609 1.00 0.00 C ATOM 1556 C ALA A 96 -9.387 6.666 0.015 1.00 0.00 C ATOM 1557 O ALA A 96 -8.979 7.251 -0.990 1.00 0.00 O ATOM 1558 CB ALA A 96 -9.145 4.160 0.201 1.00 0.00 C ATOM 0 H ALA A 96 -8.926 4.866 2.575 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.558 5.582 0.200 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -9.216 4.108 -0.885 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.496 3.361 0.560 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -10.138 4.044 0.636 1.00 0.00 H new ATOM 1564 N PRO A 97 -10.555 7.020 0.604 1.00 0.00 N ATOM 1565 CA PRO A 97 -11.316 8.204 0.182 1.00 0.00 C ATOM 1566 C PRO A 97 -10.475 9.479 0.235 1.00 0.00 C ATOM 1567 O PRO A 97 -10.624 10.370 -0.603 1.00 0.00 O ATOM 1568 CB PRO A 97 -12.472 8.289 1.192 1.00 0.00 C ATOM 1569 CG PRO A 97 -12.105 7.359 2.298 1.00 0.00 C ATOM 1570 CD PRO A 97 -11.261 6.292 1.672 1.00 0.00 C ATOM 0 HA PRO A 97 -11.650 8.116 -0.852 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -12.597 9.307 1.561 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -13.417 7.998 0.732 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -11.557 7.881 3.082 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -12.995 6.932 2.761 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -10.567 5.852 2.389 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -11.867 5.478 1.274 1.00 0.00 H new ATOM 1578 N ASP A 98 -9.587 9.557 1.220 1.00 0.00 N ATOM 1579 CA ASP A 98 -8.714 10.714 1.380 1.00 0.00 C ATOM 1580 C ASP A 98 -7.564 10.656 0.384 1.00 0.00 C ATOM 1581 O ASP A 98 -7.053 11.690 -0.052 1.00 0.00 O ATOM 1582 CB ASP A 98 -8.175 10.790 2.810 1.00 0.00 C ATOM 1583 CG ASP A 98 -9.281 10.967 3.831 1.00 0.00 C ATOM 1584 OD1 ASP A 98 -9.687 12.122 4.085 1.00 0.00 O ATOM 1585 OD2 ASP A 98 -9.759 9.950 4.374 1.00 0.00 O ATOM 0 H ASP A 98 -9.453 8.830 1.922 1.00 0.00 H new ATOM 0 HA ASP A 98 -9.299 11.613 1.184 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -7.618 9.881 3.035 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -7.474 11.621 2.888 1.00 0.00 H new ATOM 1590 N LEU A 99 -7.160 9.439 0.034 1.00 0.00 N ATOM 1591 CA LEU A 99 -6.183 9.219 -1.026 1.00 0.00 C ATOM 1592 C LEU A 99 -6.728 9.785 -2.333 1.00 0.00 C ATOM 1593 O LEU A 99 -6.057 10.561 -3.013 1.00 0.00 O ATOM 1594 CB LEU A 99 -5.878 7.709 -1.150 1.00 0.00 C ATOM 1595 CG LEU A 99 -4.834 7.280 -2.201 1.00 0.00 C ATOM 1596 CD1 LEU A 99 -5.423 7.274 -3.605 1.00 0.00 C ATOM 1597 CD2 LEU A 99 -3.608 8.178 -2.140 1.00 0.00 C ATOM 0 H LEU A 99 -7.498 8.583 0.474 1.00 0.00 H new ATOM 0 HA LEU A 99 -5.250 9.731 -0.789 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.542 7.352 -0.176 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -6.812 7.194 -1.373 1.00 0.00 H new ATOM 0 HG LEU A 99 -4.530 6.260 -1.964 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.659 6.967 -4.319 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -6.259 6.576 -3.646 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.773 8.275 -3.857 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -2.885 7.858 -2.890 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -3.902 9.209 -2.337 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -3.158 8.112 -1.150 1.00 0.00 H new ATOM 1609 N ALA A 100 -7.959 9.404 -2.660 1.00 0.00 N ATOM 1610 CA ALA A 100 -8.625 9.899 -3.859 1.00 0.00 C ATOM 1611 C ALA A 100 -8.804 11.411 -3.787 1.00 0.00 C ATOM 1612 O ALA A 100 -8.681 12.109 -4.791 1.00 0.00 O ATOM 1613 CB ALA A 100 -9.970 9.213 -4.042 1.00 0.00 C ATOM 0 H ALA A 100 -8.517 8.752 -2.109 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.998 9.667 -4.720 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -10.453 9.594 -4.941 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -9.820 8.138 -4.139 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -10.602 9.415 -3.177 1.00 0.00 H new ATOM 1619 N ASP A 101 -9.087 11.902 -2.586 1.00 0.00 N ATOM 1620 CA ASP A 101 -9.243 13.333 -2.345 1.00 0.00 C ATOM 1621 C ASP A 101 -7.965 14.085 -2.695 1.00 0.00 C ATOM 1622 O ASP A 101 -7.973 15.004 -3.516 1.00 0.00 O ATOM 1623 CB ASP A 101 -9.609 13.581 -0.878 1.00 0.00 C ATOM 1624 CG ASP A 101 -9.732 15.053 -0.534 1.00 0.00 C ATOM 1625 OD1 ASP A 101 -8.693 15.696 -0.268 1.00 0.00 O ATOM 1626 OD2 ASP A 101 -10.870 15.571 -0.511 1.00 0.00 O ATOM 0 H ASP A 101 -9.214 11.324 -1.755 1.00 0.00 H new ATOM 0 HA ASP A 101 -10.045 13.702 -2.984 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -10.553 13.083 -0.656 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -8.851 13.127 -0.239 1.00 0.00 H new ATOM 1631 N ALA A 102 -6.869 13.670 -2.081 1.00 0.00 N ATOM 1632 CA ALA A 102 -5.581 14.321 -2.280 1.00 0.00 C ATOM 1633 C ALA A 102 -5.114 14.174 -3.723 1.00 0.00 C ATOM 1634 O ALA A 102 -4.618 15.129 -4.325 1.00 0.00 O ATOM 1635 CB ALA A 102 -4.547 13.749 -1.323 1.00 0.00 C ATOM 0 H ALA A 102 -6.844 12.880 -1.436 1.00 0.00 H new ATOM 0 HA ALA A 102 -5.699 15.384 -2.071 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -3.590 14.245 -1.483 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -4.873 13.912 -0.296 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -4.437 12.680 -1.503 1.00 0.00 H new ATOM 1641 N MET A 103 -5.295 12.980 -4.275 1.00 0.00 N ATOM 1642 CA MET A 103 -4.899 12.693 -5.650 1.00 0.00 C ATOM 1643 C MET A 103 -5.699 13.539 -6.637 1.00 0.00 C ATOM 1644 O MET A 103 -5.202 13.895 -7.702 1.00 0.00 O ATOM 1645 CB MET A 103 -5.094 11.207 -5.949 1.00 0.00 C ATOM 1646 CG MET A 103 -4.687 10.802 -7.357 1.00 0.00 C ATOM 1647 SD MET A 103 -4.836 9.028 -7.627 1.00 0.00 S ATOM 1648 CE MET A 103 -3.658 8.426 -6.423 1.00 0.00 C ATOM 0 H MET A 103 -5.717 12.189 -3.788 1.00 0.00 H new ATOM 0 HA MET A 103 -3.845 12.946 -5.764 1.00 0.00 H new ATOM 0 HB2 MET A 103 -4.516 10.624 -5.232 1.00 0.00 H new ATOM 0 HB3 MET A 103 -6.142 10.951 -5.797 1.00 0.00 H new ATOM 0 HG2 MET A 103 -5.309 11.331 -8.079 1.00 0.00 H new ATOM 0 HG3 MET A 103 -3.657 11.110 -7.538 1.00 0.00 H new ATOM 0 HE1 MET A 103 -3.027 7.665 -6.881 1.00 0.00 H new ATOM 0 HE2 MET A 103 -3.037 9.252 -6.077 1.00 0.00 H new ATOM 0 HE3 MET A 103 -4.192 7.994 -5.576 1.00 0.00 H new ATOM 1658 N LYS A 104 -6.934 13.857 -6.272 1.00 0.00 N ATOM 1659 CA LYS A 104 -7.789 14.706 -7.094 1.00 0.00 C ATOM 1660 C LYS A 104 -7.168 16.090 -7.260 1.00 0.00 C ATOM 1661 O LYS A 104 -7.218 16.679 -8.339 1.00 0.00 O ATOM 1662 CB LYS A 104 -9.183 14.800 -6.465 1.00 0.00 C ATOM 1663 CG LYS A 104 -10.133 15.759 -7.164 1.00 0.00 C ATOM 1664 CD LYS A 104 -11.542 15.624 -6.606 1.00 0.00 C ATOM 1665 CE LYS A 104 -12.451 16.748 -7.075 1.00 0.00 C ATOM 1666 NZ LYS A 104 -12.050 18.062 -6.505 1.00 0.00 N ATOM 0 H LYS A 104 -7.369 13.538 -5.406 1.00 0.00 H new ATOM 0 HA LYS A 104 -7.884 14.263 -8.086 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -9.631 13.806 -6.459 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -9.077 15.109 -5.425 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -9.783 16.783 -7.036 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -10.140 15.556 -8.235 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -11.963 14.666 -6.912 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -11.502 15.621 -5.517 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -12.428 16.803 -8.163 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -13.479 16.527 -6.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -12.829 18.742 -6.619 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -11.833 17.950 -5.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -11.207 18.414 -7.003 1.00 0.00 H new ATOM 1680 N GLY A 105 -6.555 16.584 -6.193 1.00 0.00 N ATOM 1681 CA GLY A 105 -5.891 17.871 -6.245 1.00 0.00 C ATOM 1682 C GLY A 105 -4.623 17.820 -7.078 1.00 0.00 C ATOM 1683 O GLY A 105 -4.311 18.757 -7.812 1.00 0.00 O ATOM 0 H GLY A 105 -6.506 16.114 -5.289 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -6.571 18.614 -6.663 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -5.648 18.195 -5.233 1.00 0.00 H new ATOM 1687 N TYR A 106 -3.904 16.706 -6.982 1.00 0.00 N ATOM 1688 CA TYR A 106 -2.656 16.530 -7.718 1.00 0.00 C ATOM 1689 C TYR A 106 -2.910 16.025 -9.136 1.00 0.00 C ATOM 1690 O TYR A 106 -1.970 15.765 -9.885 1.00 0.00 O ATOM 1691 CB TYR A 106 -1.725 15.562 -6.985 1.00 0.00 C ATOM 1692 CG TYR A 106 -1.097 16.141 -5.737 1.00 0.00 C ATOM 1693 CD1 TYR A 106 0.103 16.836 -5.804 1.00 0.00 C ATOM 1694 CD2 TYR A 106 -1.699 15.990 -4.495 1.00 0.00 C ATOM 1695 CE1 TYR A 106 0.686 17.364 -4.667 1.00 0.00 C ATOM 1696 CE2 TYR A 106 -1.123 16.514 -3.354 1.00 0.00 C ATOM 1697 CZ TYR A 106 0.069 17.200 -3.446 1.00 0.00 C ATOM 1698 OH TYR A 106 0.645 17.722 -2.313 1.00 0.00 O ATOM 0 H TYR A 106 -4.165 15.910 -6.400 1.00 0.00 H new ATOM 0 HA TYR A 106 -2.177 17.507 -7.781 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -2.286 14.667 -6.716 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -0.934 15.249 -7.666 1.00 0.00 H new ATOM 0 HD1 TYR A 106 0.589 16.966 -6.760 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -2.633 15.454 -4.420 1.00 0.00 H new ATOM 0 HE1 TYR A 106 1.620 17.902 -4.736 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -1.604 16.387 -2.395 1.00 0.00 H new ATOM 0 HH TYR A 106 0.789 18.684 -2.433 1.00 0.00 H new ATOM 1708 N ARG A 107 -4.176 15.875 -9.501 1.00 0.00 N ATOM 1709 CA ARG A 107 -4.525 15.445 -10.846 1.00 0.00 C ATOM 1710 C ARG A 107 -4.493 16.644 -11.788 1.00 0.00 C ATOM 1711 O ARG A 107 -4.344 16.501 -13.001 1.00 0.00 O ATOM 1712 CB ARG A 107 -5.912 14.804 -10.871 1.00 0.00 C ATOM 1713 CG ARG A 107 -6.102 13.817 -12.012 1.00 0.00 C ATOM 1714 CD ARG A 107 -7.518 13.858 -12.555 1.00 0.00 C ATOM 1715 NE ARG A 107 -7.756 15.077 -13.322 1.00 0.00 N ATOM 1716 CZ ARG A 107 -8.959 15.552 -13.630 1.00 0.00 C ATOM 1717 NH1 ARG A 107 -10.056 14.944 -13.198 1.00 0.00 N ATOM 1718 NH2 ARG A 107 -9.057 16.648 -14.373 1.00 0.00 N ATOM 0 H ARG A 107 -4.973 16.044 -8.888 1.00 0.00 H new ATOM 0 HA ARG A 107 -3.798 14.701 -11.173 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -6.084 14.291 -9.925 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -6.665 15.588 -10.950 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -5.398 14.045 -12.812 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -5.874 12.809 -11.664 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -7.693 12.988 -13.188 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -8.228 13.800 -11.730 1.00 0.00 H new ATOM 0 HE ARG A 107 -6.942 15.601 -13.644 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -9.981 14.104 -12.624 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -10.974 15.316 -13.440 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -8.214 17.118 -14.702 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -9.976 17.020 -14.615 1.00 0.00 H new ATOM 1732 N LYS A 108 -4.621 17.829 -11.210 1.00 0.00 N ATOM 1733 CA LYS A 108 -4.574 19.066 -11.966 1.00 0.00 C ATOM 1734 C LYS A 108 -3.144 19.582 -11.953 1.00 0.00 C ATOM 1735 O LYS A 108 -2.817 20.581 -11.311 1.00 0.00 O ATOM 1736 CB LYS A 108 -5.551 20.091 -11.377 1.00 0.00 C ATOM 1737 CG LYS A 108 -5.726 21.347 -12.219 1.00 0.00 C ATOM 1738 CD LYS A 108 -6.889 22.189 -11.719 1.00 0.00 C ATOM 1739 CE LYS A 108 -7.078 23.440 -12.560 1.00 0.00 C ATOM 1740 NZ LYS A 108 -8.325 24.162 -12.199 1.00 0.00 N ATOM 0 H LYS A 108 -4.760 17.957 -10.208 1.00 0.00 H new ATOM 0 HA LYS A 108 -4.880 18.891 -12.997 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -6.524 19.616 -11.248 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -5.203 20.379 -10.385 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -4.809 21.936 -12.192 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -5.896 21.069 -13.259 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -7.803 21.596 -11.739 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -6.714 22.471 -10.681 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -6.222 24.102 -12.425 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -7.107 23.168 -13.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -8.420 25.010 -12.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -9.144 23.539 -12.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -8.286 24.444 -11.199 1.00 0.00 H new ATOM 1754 N LYS A 109 -2.293 18.841 -12.640 1.00 0.00 N ATOM 1755 CA LYS A 109 -0.856 19.094 -12.654 1.00 0.00 C ATOM 1756 C LYS A 109 -0.501 20.325 -13.482 1.00 0.00 C ATOM 1757 O LYS A 109 0.603 20.862 -13.362 1.00 0.00 O ATOM 1758 CB LYS A 109 -0.117 17.877 -13.206 1.00 0.00 C ATOM 1759 CG LYS A 109 -0.434 16.588 -12.469 1.00 0.00 C ATOM 1760 CD LYS A 109 0.391 15.426 -12.996 1.00 0.00 C ATOM 1761 CE LYS A 109 0.074 14.137 -12.259 1.00 0.00 C ATOM 1762 NZ LYS A 109 0.176 14.303 -10.786 1.00 0.00 N ATOM 0 H LYS A 109 -2.577 18.042 -13.208 1.00 0.00 H new ATOM 0 HA LYS A 109 -0.548 19.282 -11.626 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -0.370 17.755 -14.259 1.00 0.00 H new ATOM 0 HB3 LYS A 109 0.956 18.060 -13.155 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -0.240 16.720 -11.404 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -1.495 16.359 -12.574 1.00 0.00 H new ATOM 0 HD2 LYS A 109 0.197 15.294 -14.061 1.00 0.00 H new ATOM 0 HD3 LYS A 109 1.452 15.655 -12.891 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -0.932 13.808 -12.519 1.00 0.00 H new ATOM 0 HE3 LYS A 109 0.759 13.354 -12.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 0.257 13.369 -10.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 1.017 14.871 -10.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -0.674 14.785 -10.431 1.00 0.00 H new ATOM 1776 N ASN A 110 -1.419 20.758 -14.336 1.00 0.00 N ATOM 1777 CA ASN A 110 -1.198 21.962 -15.129 1.00 0.00 C ATOM 1778 C ASN A 110 -1.350 23.206 -14.265 1.00 0.00 C ATOM 1779 O ASN A 110 -0.959 24.303 -14.663 1.00 0.00 O ATOM 1780 CB ASN A 110 -2.144 22.023 -16.329 1.00 0.00 C ATOM 1781 CG ASN A 110 -1.769 21.016 -17.400 1.00 0.00 C ATOM 1782 OD1 ASN A 110 -0.608 20.629 -17.524 1.00 0.00 O ATOM 1783 ND2 ASN A 110 -2.742 20.594 -18.185 1.00 0.00 N ATOM 0 H ASN A 110 -2.316 20.299 -14.497 1.00 0.00 H new ATOM 0 HA ASN A 110 -0.178 21.925 -15.512 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -3.165 21.835 -15.996 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -2.127 23.027 -16.753 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -2.544 19.923 -18.927 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -3.692 20.939 -18.050 1.00 0.00 H new ATOM 1790 N LEU A 111 -1.913 23.025 -13.081 1.00 0.00 N ATOM 1791 CA LEU A 111 -1.986 24.092 -12.102 1.00 0.00 C ATOM 1792 C LEU A 111 -0.736 24.054 -11.236 1.00 0.00 C ATOM 1793 O LEU A 111 -0.430 23.030 -10.625 1.00 0.00 O ATOM 1794 CB LEU A 111 -3.239 23.946 -11.233 1.00 0.00 C ATOM 1795 CG LEU A 111 -3.454 25.057 -10.205 1.00 0.00 C ATOM 1796 CD1 LEU A 111 -3.707 26.387 -10.899 1.00 0.00 C ATOM 1797 CD2 LEU A 111 -4.608 24.710 -9.276 1.00 0.00 C ATOM 0 H LEU A 111 -2.327 22.144 -12.776 1.00 0.00 H new ATOM 0 HA LEU A 111 -2.047 25.050 -12.618 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -4.111 23.904 -11.886 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -3.188 22.992 -10.708 1.00 0.00 H new ATOM 0 HG LEU A 111 -2.548 25.150 -9.606 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -3.858 27.165 -10.151 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -2.849 26.642 -11.520 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -4.596 26.308 -11.524 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.746 25.513 -8.551 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -5.521 24.587 -9.859 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -4.386 23.781 -8.751 1.00 0.00 H new ATOM 1809 N GLU A 112 -0.006 25.157 -11.203 1.00 0.00 N ATOM 1810 CA GLU A 112 1.247 25.221 -10.464 1.00 0.00 C ATOM 1811 C GLU A 112 0.985 25.239 -8.961 1.00 0.00 C ATOM 1812 O GLU A 112 0.575 26.257 -8.400 1.00 0.00 O ATOM 1813 CB GLU A 112 2.040 26.456 -10.887 1.00 0.00 C ATOM 1814 CG GLU A 112 2.203 26.569 -12.394 1.00 0.00 C ATOM 1815 CD GLU A 112 3.022 27.768 -12.813 1.00 0.00 C ATOM 1816 OE1 GLU A 112 2.526 28.905 -12.694 1.00 0.00 O ATOM 1817 OE2 GLU A 112 4.163 27.573 -13.284 1.00 0.00 O ATOM 0 H GLU A 112 -0.259 26.022 -11.680 1.00 0.00 H new ATOM 0 HA GLU A 112 1.834 24.332 -10.694 1.00 0.00 H new ATOM 0 HB2 GLU A 112 1.538 27.349 -10.513 1.00 0.00 H new ATOM 0 HB3 GLU A 112 3.025 26.425 -10.422 1.00 0.00 H new ATOM 0 HG2 GLU A 112 2.677 25.663 -12.771 1.00 0.00 H new ATOM 0 HG3 GLU A 112 1.218 26.630 -12.857 1.00 0.00 H new ATOM 1824 N HIS A 113 1.209 24.101 -8.319 1.00 0.00 N ATOM 1825 CA HIS A 113 0.934 23.958 -6.897 1.00 0.00 C ATOM 1826 C HIS A 113 2.101 24.457 -6.060 1.00 0.00 C ATOM 1827 O HIS A 113 3.257 24.130 -6.329 1.00 0.00 O ATOM 1828 CB HIS A 113 0.630 22.500 -6.537 1.00 0.00 C ATOM 1829 CG HIS A 113 -0.714 22.030 -7.002 1.00 0.00 C ATOM 1830 ND1 HIS A 113 -1.847 22.102 -6.220 1.00 0.00 N ATOM 1831 CD2 HIS A 113 -1.105 21.479 -8.175 1.00 0.00 C ATOM 1832 CE1 HIS A 113 -2.873 21.616 -6.891 1.00 0.00 C ATOM 1833 NE2 HIS A 113 -2.452 21.232 -8.080 1.00 0.00 N ATOM 0 H HIS A 113 1.582 23.261 -8.762 1.00 0.00 H new ATOM 0 HA HIS A 113 0.057 24.566 -6.675 1.00 0.00 H new ATOM 0 HB2 HIS A 113 1.398 21.861 -6.971 1.00 0.00 H new ATOM 0 HB3 HIS A 113 0.691 22.382 -5.455 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -0.474 21.272 -9.027 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -3.888 21.545 -6.528 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -3.032 20.819 -8.810 1.00 0.00 H new ATOM 1842 N HIS A 114 1.784 25.254 -5.052 1.00 0.00 N ATOM 1843 CA HIS A 114 2.781 25.761 -4.123 1.00 0.00 C ATOM 1844 C HIS A 114 2.261 25.663 -2.694 1.00 0.00 C ATOM 1845 O HIS A 114 1.324 26.366 -2.316 1.00 0.00 O ATOM 1846 CB HIS A 114 3.145 27.212 -4.468 1.00 0.00 C ATOM 1847 CG HIS A 114 3.975 27.909 -3.427 1.00 0.00 C ATOM 1848 ND1 HIS A 114 5.315 27.660 -3.230 1.00 0.00 N ATOM 1849 CD2 HIS A 114 3.635 28.852 -2.517 1.00 0.00 C ATOM 1850 CE1 HIS A 114 5.762 28.417 -2.244 1.00 0.00 C ATOM 1851 NE2 HIS A 114 4.761 29.150 -1.794 1.00 0.00 N ATOM 0 H HIS A 114 0.833 25.566 -4.855 1.00 0.00 H new ATOM 0 HA HIS A 114 3.682 25.154 -4.208 1.00 0.00 H new ATOM 0 HB2 HIS A 114 3.687 27.223 -5.414 1.00 0.00 H new ATOM 0 HB3 HIS A 114 2.226 27.778 -4.621 1.00 0.00 H new ATOM 0 HD2 HIS A 114 2.656 29.289 -2.385 1.00 0.00 H new ATOM 0 HE1 HIS A 114 6.775 28.433 -1.870 1.00 0.00 H new ATOM 0 HE2 HIS A 114 4.816 29.827 -1.033 1.00 0.00 H new ATOM 1860 N HIS A 115 2.864 24.777 -1.916 1.00 0.00 N ATOM 1861 CA HIS A 115 2.512 24.620 -0.512 1.00 0.00 C ATOM 1862 C HIS A 115 3.077 25.785 0.286 1.00 0.00 C ATOM 1863 O HIS A 115 4.072 26.387 -0.110 1.00 0.00 O ATOM 1864 CB HIS A 115 3.076 23.311 0.057 1.00 0.00 C ATOM 1865 CG HIS A 115 2.529 22.057 -0.561 1.00 0.00 C ATOM 1866 ND1 HIS A 115 2.661 20.823 0.030 1.00 0.00 N ATOM 1867 CD2 HIS A 115 1.872 21.843 -1.726 1.00 0.00 C ATOM 1868 CE1 HIS A 115 2.117 19.906 -0.743 1.00 0.00 C ATOM 1869 NE2 HIS A 115 1.628 20.494 -1.818 1.00 0.00 N ATOM 0 H HIS A 115 3.604 24.152 -2.235 1.00 0.00 H new ATOM 0 HA HIS A 115 1.425 24.597 -0.436 1.00 0.00 H new ATOM 0 HB2 HIS A 115 4.159 23.316 -0.068 1.00 0.00 H new ATOM 0 HB3 HIS A 115 2.879 23.285 1.129 1.00 0.00 H new ATOM 0 HD1 HIS A 115 3.111 20.645 0.928 1.00 0.00 H new ATOM 0 HD2 HIS A 115 1.592 22.594 -2.449 1.00 0.00 H new ATOM 0 HE1 HIS A 115 2.078 18.848 -0.532 1.00 0.00 H new ATOM 1878 N HIS A 116 2.459 26.099 1.412 1.00 0.00 N ATOM 1879 CA HIS A 116 2.970 27.159 2.272 1.00 0.00 C ATOM 1880 C HIS A 116 4.115 26.620 3.132 1.00 0.00 C ATOM 1881 O HIS A 116 4.814 27.373 3.809 1.00 0.00 O ATOM 1882 CB HIS A 116 1.852 27.730 3.151 1.00 0.00 C ATOM 1883 CG HIS A 116 2.181 29.065 3.751 1.00 0.00 C ATOM 1884 ND1 HIS A 116 2.342 29.263 5.103 1.00 0.00 N ATOM 1885 CD2 HIS A 116 2.364 30.277 3.173 1.00 0.00 C ATOM 1886 CE1 HIS A 116 2.610 30.535 5.331 1.00 0.00 C ATOM 1887 NE2 HIS A 116 2.630 31.172 4.177 1.00 0.00 N ATOM 0 H HIS A 116 1.612 25.643 1.751 1.00 0.00 H new ATOM 0 HA HIS A 116 3.350 27.968 1.648 1.00 0.00 H new ATOM 0 HB2 HIS A 116 0.944 27.823 2.555 1.00 0.00 H new ATOM 0 HB3 HIS A 116 1.636 27.024 3.953 1.00 0.00 H new ATOM 0 HD2 HIS A 116 2.310 30.497 2.117 1.00 0.00 H new ATOM 0 HE1 HIS A 116 2.784 30.979 6.300 1.00 0.00 H new ATOM 0 HE2 HIS A 116 2.813 32.168 4.052 1.00 0.00 H new ATOM 1896 N HIS A 117 4.291 25.301 3.098 1.00 0.00 N ATOM 1897 CA HIS A 117 5.399 24.651 3.791 1.00 0.00 C ATOM 1898 C HIS A 117 6.468 24.213 2.793 1.00 0.00 C ATOM 1899 O HIS A 117 7.501 23.665 3.176 1.00 0.00 O ATOM 1900 CB HIS A 117 4.911 23.436 4.590 1.00 0.00 C ATOM 1901 CG HIS A 117 4.079 23.779 5.789 1.00 0.00 C ATOM 1902 ND1 HIS A 117 4.566 23.750 7.076 1.00 0.00 N ATOM 1903 CD2 HIS A 117 2.779 24.140 5.892 1.00 0.00 C ATOM 1904 CE1 HIS A 117 3.604 24.072 7.918 1.00 0.00 C ATOM 1905 NE2 HIS A 117 2.509 24.314 7.224 1.00 0.00 N ATOM 0 H HIS A 117 3.677 24.660 2.595 1.00 0.00 H new ATOM 0 HA HIS A 117 5.829 25.374 4.484 1.00 0.00 H new ATOM 0 HB2 HIS A 117 4.329 22.792 3.931 1.00 0.00 H new ATOM 0 HB3 HIS A 117 5.776 22.859 4.916 1.00 0.00 H new ATOM 0 HD2 HIS A 117 2.083 24.267 5.076 1.00 0.00 H new ATOM 0 HE1 HIS A 117 3.697 24.128 8.993 1.00 0.00 H new ATOM 0 HE2 HIS A 117 1.607 24.587 7.615 1.00 0.00 H new ATOM 1914 N HIS A 118 6.203 24.449 1.512 1.00 0.00 N ATOM 1915 CA HIS A 118 7.134 24.099 0.445 1.00 0.00 C ATOM 1916 C HIS A 118 6.981 25.061 -0.721 1.00 0.00 C ATOM 1917 O HIS A 118 7.600 26.139 -0.683 1.00 0.00 O ATOM 1918 CB HIS A 118 6.918 22.663 -0.050 1.00 0.00 C ATOM 1919 CG HIS A 118 7.580 21.611 0.786 1.00 0.00 C ATOM 1920 ND1 HIS A 118 8.906 21.667 1.154 1.00 0.00 N ATOM 1921 CD2 HIS A 118 7.095 20.464 1.312 1.00 0.00 C ATOM 1922 CE1 HIS A 118 9.209 20.595 1.862 1.00 0.00 C ATOM 1923 NE2 HIS A 118 8.127 19.848 1.976 1.00 0.00 N ATOM 1924 OXT HIS A 118 6.232 24.735 -1.666 1.00 0.00 O ATOM 0 H HIS A 118 5.341 24.886 1.185 1.00 0.00 H new ATOM 0 HA HIS A 118 8.141 24.171 0.856 1.00 0.00 H new ATOM 0 HB2 HIS A 118 5.847 22.461 -0.084 1.00 0.00 H new ATOM 0 HB3 HIS A 118 7.290 22.585 -1.072 1.00 0.00 H new ATOM 0 HD2 HIS A 118 6.082 20.099 1.226 1.00 0.00 H new ATOM 0 HE1 HIS A 118 10.179 20.367 2.278 1.00 0.00 H new ATOM 0 HE2 HIS A 118 8.067 18.960 2.475 1.00 0.00 H new TER 1933 HIS A 118