USER MOD reduce.3.24.130724 H: found=0, std=0, add=975, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 975 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 94 THR OG1 : rot -143:sc= -1.28! USER MOD Set 1.2: A 96 TYR OH : rot 102:sc= 0.0881 USER MOD Set 2.1: A 27 ASN : amide:sc= -5.86! K(o=-8.3!,f=-4.1) USER MOD Set 2.2: A 30 SER OG : rot 170:sc= -2.43! USER MOD Single : A 1 GLU N :NH3+ -134:sc= 0.147 (180deg=-3.36!) USER MOD Single : A 2 LYS NZ :NH3+ 174:sc= 1.3 (180deg=1.19) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= -1.65 USER MOD Single : A 10 THR OG1 : rot -33:sc= 0.232 USER MOD Single : A 11 SER OG : rot -145:sc= -6.62! USER MOD Single : A 13 SER OG : rot 75:sc= -0.368! USER MOD Single : A 14 THR OG1 : rot 6:sc= 0.828! USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 158:sc= -0.056 (180deg=-0.559) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0.0314 USER MOD Single : A 23 ASN : amide:sc= -2.42! C(o=-2.4!,f=-4.7!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -164:sc= -0.0173 (180deg=-0.316) USER MOD Single : A 29 SER OG : rot 63:sc= 0.376 USER MOD Single : A 31 ASN : amide:sc= -0.0518 K(o=-0.052,f=-1.7!) USER MOD Single : A 32 ASN : amide:sc= -2.79! C(o=-2.8!,f=-6.6!) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= 0.189 K(o=0.19,f=-3.8!) USER MOD Single : A 45 ASN : amide:sc= -0.0152 K(o=-0.015,f=-0.78) USER MOD Single : A 51 LYS NZ :NH3+ 167:sc= 0.504 (180deg=-0.0558) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 56 TYR OH : rot -117:sc= 1.14 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HE2:sc= -0.294 K(o=-0.29,f=-4.1!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -3.04! C(o=-3!,f=-2.6!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.119 K(o=-0.12,f=-1.8!) USER MOD Single : A 76 ASN : amide:sc= -2.33 K(o=-2.3,f=-13!) USER MOD Single : A 79 ASN : amide:sc= -3.58! C(o=-3.6!,f=-14!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.876 USER MOD Single : A 85 ASN : amide:sc= -1.89! K(o=-1.9!,f=-0.27) USER MOD Single : A 88 MET CE :methyl 171:sc= 0 (180deg=-0.0332) USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.336 K(o=-0.34,f=-3.5!) USER MOD Single : A 93 ASN : amide:sc= -2.46! C(o=-2.5!,f=-5.7!) USER MOD Single : A 97 SER OG : rot -150:sc= -0.652 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -0.0166 K(o=-0.017,f=-1.7!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ -156:sc= 0.235 (180deg=-0.407!) USER MOD Single : A 117 ASN : amide:sc= -0.431 K(o=-0.43,f=-3.1!) USER MOD Single : A 119 LYS NZ :NH3+ -140:sc= -0.673 (180deg=-2.43!) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 THR OG1 : rot 170:sc= -0.0432 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 115.873 15.101 -5.687 1.00 0.00 N ATOM 2 CA GLU A 1 116.777 14.097 -6.316 1.00 0.00 C ATOM 3 C GLU A 1 116.270 12.687 -6.001 1.00 0.00 C ATOM 4 O GLU A 1 115.299 12.227 -6.566 1.00 0.00 O ATOM 5 CB GLU A 1 118.192 14.265 -5.760 1.00 0.00 C ATOM 6 CG GLU A 1 118.771 15.603 -6.223 1.00 0.00 C ATOM 7 CD GLU A 1 118.277 16.721 -5.302 1.00 0.00 C ATOM 8 OE1 GLU A 1 117.437 16.441 -4.463 1.00 0.00 O ATOM 9 OE2 GLU A 1 118.754 17.834 -5.445 1.00 0.00 O ATOM 0 H1 GLU A 1 115.653 15.849 -6.375 1.00 0.00 H new ATOM 0 H2 GLU A 1 114.992 14.636 -5.388 1.00 0.00 H new ATOM 0 H3 GLU A 1 116.342 15.520 -4.859 1.00 0.00 H new ATOM 0 HA GLU A 1 116.791 14.247 -7.396 1.00 0.00 H new ATOM 0 HB2 GLU A 1 118.173 14.223 -4.671 1.00 0.00 H new ATOM 0 HB3 GLU A 1 118.826 13.446 -6.099 1.00 0.00 H new ATOM 0 HG2 GLU A 1 119.860 15.563 -6.212 1.00 0.00 H new ATOM 0 HG3 GLU A 1 118.470 15.805 -7.251 1.00 0.00 H new ATOM 18 N LYS A 2 116.919 12.000 -5.099 1.00 0.00 N ATOM 19 CA LYS A 2 116.471 10.624 -4.746 1.00 0.00 C ATOM 20 C LYS A 2 116.632 10.410 -3.238 1.00 0.00 C ATOM 21 O LYS A 2 117.497 10.987 -2.609 1.00 0.00 O ATOM 22 CB LYS A 2 117.307 9.599 -5.513 1.00 0.00 C ATOM 23 CG LYS A 2 117.006 9.716 -7.010 1.00 0.00 C ATOM 24 CD LYS A 2 117.844 8.696 -7.787 1.00 0.00 C ATOM 25 CE LYS A 2 117.103 7.358 -7.841 1.00 0.00 C ATOM 26 NZ LYS A 2 116.096 7.393 -8.939 1.00 0.00 N ATOM 0 H LYS A 2 117.739 12.333 -4.592 1.00 0.00 H new ATOM 0 HA LYS A 2 115.423 10.499 -5.017 1.00 0.00 H new ATOM 0 HB2 LYS A 2 118.368 9.768 -5.330 1.00 0.00 H new ATOM 0 HB3 LYS A 2 117.080 8.592 -5.163 1.00 0.00 H new ATOM 0 HG2 LYS A 2 115.945 9.543 -7.192 1.00 0.00 H new ATOM 0 HG3 LYS A 2 117.229 10.725 -7.358 1.00 0.00 H new ATOM 0 HD2 LYS A 2 118.033 9.060 -8.797 1.00 0.00 H new ATOM 0 HD3 LYS A 2 118.814 8.567 -7.308 1.00 0.00 H new ATOM 0 HE2 LYS A 2 117.810 6.545 -8.007 1.00 0.00 H new ATOM 0 HE3 LYS A 2 116.611 7.163 -6.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 115.663 6.453 -9.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 115.359 8.090 -8.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 116.562 7.660 -9.829 1.00 0.00 H new ATOM 40 N VAL A 3 115.801 9.594 -2.652 1.00 0.00 N ATOM 41 CA VAL A 3 115.892 9.348 -1.184 1.00 0.00 C ATOM 42 C VAL A 3 116.874 8.208 -0.901 1.00 0.00 C ATOM 43 O VAL A 3 116.858 7.188 -1.555 1.00 0.00 O ATOM 44 CB VAL A 3 114.513 8.958 -0.652 1.00 0.00 C ATOM 45 CG1 VAL A 3 114.606 8.645 0.842 1.00 0.00 C ATOM 46 CG2 VAL A 3 113.535 10.114 -0.872 1.00 0.00 C ATOM 0 H VAL A 3 115.058 9.083 -3.129 1.00 0.00 H new ATOM 0 HA VAL A 3 116.242 10.256 -0.693 1.00 0.00 H new ATOM 0 HB VAL A 3 114.158 8.075 -1.184 1.00 0.00 H new ATOM 0 HG11 VAL A 3 113.621 8.367 1.218 1.00 0.00 H new ATOM 0 HG12 VAL A 3 115.300 7.819 0.998 1.00 0.00 H new ATOM 0 HG13 VAL A 3 114.963 9.525 1.377 1.00 0.00 H new ATOM 0 HG21 VAL A 3 112.552 9.836 -0.493 1.00 0.00 H new ATOM 0 HG22 VAL A 3 113.891 10.998 -0.343 1.00 0.00 H new ATOM 0 HG23 VAL A 3 113.464 10.333 -1.937 1.00 0.00 H new ATOM 56 N LYS A 4 117.728 8.373 0.072 1.00 0.00 N ATOM 57 CA LYS A 4 118.694 7.281 0.383 1.00 0.00 C ATOM 58 C LYS A 4 117.918 6.079 0.913 1.00 0.00 C ATOM 59 O LYS A 4 117.171 6.181 1.866 1.00 0.00 O ATOM 60 CB LYS A 4 119.682 7.754 1.454 1.00 0.00 C ATOM 61 CG LYS A 4 120.385 9.037 0.998 1.00 0.00 C ATOM 62 CD LYS A 4 121.381 8.721 -0.119 1.00 0.00 C ATOM 63 CE LYS A 4 122.129 9.993 -0.513 1.00 0.00 C ATOM 64 NZ LYS A 4 123.093 9.681 -1.606 1.00 0.00 N ATOM 0 H LYS A 4 117.799 9.205 0.658 1.00 0.00 H new ATOM 0 HA LYS A 4 119.244 7.009 -0.518 1.00 0.00 H new ATOM 0 HB2 LYS A 4 119.155 7.933 2.391 1.00 0.00 H new ATOM 0 HB3 LYS A 4 120.420 6.976 1.647 1.00 0.00 H new ATOM 0 HG2 LYS A 4 119.648 9.759 0.646 1.00 0.00 H new ATOM 0 HG3 LYS A 4 120.904 9.496 1.840 1.00 0.00 H new ATOM 0 HD2 LYS A 4 122.087 7.960 0.214 1.00 0.00 H new ATOM 0 HD3 LYS A 4 120.857 8.313 -0.983 1.00 0.00 H new ATOM 0 HE2 LYS A 4 121.423 10.756 -0.842 1.00 0.00 H new ATOM 0 HE3 LYS A 4 122.658 10.399 0.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 123.604 10.546 -1.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 123.773 8.966 -1.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 122.576 9.313 -2.430 1.00 0.00 H new ATOM 78 N GLY A 5 118.083 4.941 0.301 1.00 0.00 N ATOM 79 CA GLY A 5 117.346 3.740 0.772 1.00 0.00 C ATOM 80 C GLY A 5 117.647 2.557 -0.146 1.00 0.00 C ATOM 81 O GLY A 5 118.185 2.715 -1.222 1.00 0.00 O ATOM 0 H GLY A 5 118.694 4.792 -0.502 1.00 0.00 H new ATOM 0 HA2 GLY A 5 117.636 3.502 1.795 1.00 0.00 H new ATOM 0 HA3 GLY A 5 116.275 3.940 0.783 1.00 0.00 H new ATOM 85 N CYS A 6 117.293 1.372 0.271 1.00 0.00 N ATOM 86 CA CYS A 6 117.548 0.173 -0.575 1.00 0.00 C ATOM 87 C CYS A 6 116.225 -0.319 -1.161 1.00 0.00 C ATOM 88 O CYS A 6 115.251 -0.499 -0.457 1.00 0.00 O ATOM 89 CB CYS A 6 118.177 -0.925 0.283 1.00 0.00 C ATOM 90 SG CYS A 6 119.066 -2.094 -0.774 1.00 0.00 S ATOM 0 H CYS A 6 116.837 1.183 1.164 1.00 0.00 H new ATOM 0 HA CYS A 6 118.229 0.429 -1.387 1.00 0.00 H new ATOM 0 HB2 CYS A 6 118.860 -0.485 1.010 1.00 0.00 H new ATOM 0 HB3 CYS A 6 117.404 -1.446 0.847 1.00 0.00 H new ATOM 95 N ASP A 7 116.187 -0.536 -2.445 1.00 0.00 N ATOM 96 CA ASP A 7 114.933 -1.020 -3.091 1.00 0.00 C ATOM 97 C ASP A 7 115.107 -2.480 -3.511 1.00 0.00 C ATOM 98 O ASP A 7 115.833 -2.786 -4.435 1.00 0.00 O ATOM 99 CB ASP A 7 114.633 -0.165 -4.323 1.00 0.00 C ATOM 100 CG ASP A 7 113.187 -0.399 -4.766 1.00 0.00 C ATOM 101 OD1 ASP A 7 112.652 -1.447 -4.448 1.00 0.00 O ATOM 102 OD2 ASP A 7 112.638 0.477 -5.415 1.00 0.00 O ATOM 0 H ASP A 7 116.974 -0.399 -3.079 1.00 0.00 H new ATOM 0 HA ASP A 7 114.106 -0.942 -2.385 1.00 0.00 H new ATOM 0 HB2 ASP A 7 114.788 0.889 -4.094 1.00 0.00 H new ATOM 0 HB3 ASP A 7 115.318 -0.420 -5.131 1.00 0.00 H new ATOM 107 N PHE A 8 114.445 -3.385 -2.844 1.00 0.00 N ATOM 108 CA PHE A 8 114.571 -4.824 -3.212 1.00 0.00 C ATOM 109 C PHE A 8 113.511 -5.163 -4.260 1.00 0.00 C ATOM 110 O PHE A 8 113.372 -6.295 -4.680 1.00 0.00 O ATOM 111 CB PHE A 8 114.356 -5.692 -1.970 1.00 0.00 C ATOM 112 CG PHE A 8 115.440 -5.417 -0.956 1.00 0.00 C ATOM 113 CD1 PHE A 8 116.734 -5.907 -1.163 1.00 0.00 C ATOM 114 CD2 PHE A 8 115.147 -4.675 0.196 1.00 0.00 C ATOM 115 CE1 PHE A 8 117.737 -5.655 -0.220 1.00 0.00 C ATOM 116 CE2 PHE A 8 116.150 -4.425 1.139 1.00 0.00 C ATOM 117 CZ PHE A 8 117.444 -4.914 0.932 1.00 0.00 C ATOM 0 H PHE A 8 113.822 -3.190 -2.060 1.00 0.00 H new ATOM 0 HA PHE A 8 115.565 -5.015 -3.616 1.00 0.00 H new ATOM 0 HB2 PHE A 8 113.378 -5.484 -1.535 1.00 0.00 H new ATOM 0 HB3 PHE A 8 114.364 -6.746 -2.247 1.00 0.00 H new ATOM 0 HD1 PHE A 8 116.959 -6.480 -2.051 1.00 0.00 H new ATOM 0 HD2 PHE A 8 114.148 -4.297 0.356 1.00 0.00 H new ATOM 0 HE1 PHE A 8 118.736 -6.032 -0.380 1.00 0.00 H new ATOM 0 HE2 PHE A 8 115.925 -3.854 2.028 1.00 0.00 H new ATOM 0 HZ PHE A 8 118.217 -4.720 1.661 1.00 0.00 H new ATOM 127 N THR A 9 112.742 -4.187 -4.661 1.00 0.00 N ATOM 128 CA THR A 9 111.665 -4.444 -5.660 1.00 0.00 C ATOM 129 C THR A 9 112.095 -3.970 -7.050 1.00 0.00 C ATOM 130 O THR A 9 111.522 -4.361 -8.048 1.00 0.00 O ATOM 131 CB THR A 9 110.406 -3.685 -5.236 1.00 0.00 C ATOM 132 OG1 THR A 9 110.128 -3.958 -3.870 1.00 0.00 O ATOM 133 CG2 THR A 9 109.224 -4.125 -6.097 1.00 0.00 C ATOM 0 H THR A 9 112.813 -3.222 -4.340 1.00 0.00 H new ATOM 0 HA THR A 9 111.468 -5.515 -5.702 1.00 0.00 H new ATOM 0 HB THR A 9 110.567 -2.615 -5.368 1.00 0.00 H new ATOM 0 HG1 THR A 9 109.323 -3.471 -3.596 1.00 0.00 H new ATOM 0 HG21 THR A 9 108.329 -3.582 -5.792 1.00 0.00 H new ATOM 0 HG22 THR A 9 109.438 -3.912 -7.144 1.00 0.00 H new ATOM 0 HG23 THR A 9 109.060 -5.195 -5.970 1.00 0.00 H new ATOM 141 N THR A 10 113.086 -3.123 -7.137 1.00 0.00 N ATOM 142 CA THR A 10 113.514 -2.635 -8.478 1.00 0.00 C ATOM 143 C THR A 10 114.967 -2.151 -8.431 1.00 0.00 C ATOM 144 O THR A 10 115.328 -1.325 -7.615 1.00 0.00 O ATOM 145 CB THR A 10 112.609 -1.474 -8.902 1.00 0.00 C ATOM 146 OG1 THR A 10 111.254 -1.820 -8.654 1.00 0.00 O ATOM 147 CG2 THR A 10 112.800 -1.189 -10.392 1.00 0.00 C ATOM 0 H THR A 10 113.612 -2.752 -6.346 1.00 0.00 H new ATOM 0 HA THR A 10 113.437 -3.453 -9.195 1.00 0.00 H new ATOM 0 HB THR A 10 112.869 -0.583 -8.330 1.00 0.00 H new ATOM 0 HG1 THR A 10 111.132 -2.783 -8.789 1.00 0.00 H new ATOM 0 HG21 THR A 10 112.155 -0.363 -10.690 1.00 0.00 H new ATOM 0 HG22 THR A 10 113.840 -0.924 -10.581 1.00 0.00 H new ATOM 0 HG23 THR A 10 112.542 -2.077 -10.968 1.00 0.00 H new ATOM 155 N SER A 11 115.797 -2.657 -9.299 1.00 0.00 N ATOM 156 CA SER A 11 117.220 -2.216 -9.307 1.00 0.00 C ATOM 157 C SER A 11 117.288 -0.753 -9.736 1.00 0.00 C ATOM 158 O SER A 11 118.199 -0.032 -9.385 1.00 0.00 O ATOM 159 CB SER A 11 118.020 -3.074 -10.290 1.00 0.00 C ATOM 160 OG SER A 11 118.182 -4.380 -9.752 1.00 0.00 O ATOM 0 H SER A 11 115.553 -3.355 -10.002 1.00 0.00 H new ATOM 0 HA SER A 11 117.642 -2.327 -8.308 1.00 0.00 H new ATOM 0 HB2 SER A 11 117.504 -3.125 -11.249 1.00 0.00 H new ATOM 0 HB3 SER A 11 118.994 -2.622 -10.476 1.00 0.00 H new ATOM 0 HG SER A 11 119.058 -4.734 -10.012 1.00 0.00 H new ATOM 166 N GLU A 12 116.318 -0.312 -10.493 1.00 0.00 N ATOM 167 CA GLU A 12 116.304 1.106 -10.952 1.00 0.00 C ATOM 168 C GLU A 12 115.117 1.823 -10.308 1.00 0.00 C ATOM 169 O GLU A 12 114.121 2.095 -10.949 1.00 0.00 O ATOM 170 CB GLU A 12 116.154 1.141 -12.475 1.00 0.00 C ATOM 171 CG GLU A 12 117.395 0.528 -13.128 1.00 0.00 C ATOM 172 CD GLU A 12 118.622 1.373 -12.786 1.00 0.00 C ATOM 173 OE1 GLU A 12 118.442 2.528 -12.437 1.00 0.00 O ATOM 174 OE2 GLU A 12 119.721 0.852 -12.877 1.00 0.00 O ATOM 0 H GLU A 12 115.532 -0.877 -10.814 1.00 0.00 H new ATOM 0 HA GLU A 12 117.233 1.600 -10.667 1.00 0.00 H new ATOM 0 HB2 GLU A 12 115.263 0.590 -12.775 1.00 0.00 H new ATOM 0 HB3 GLU A 12 116.022 2.169 -12.814 1.00 0.00 H new ATOM 0 HG2 GLU A 12 117.536 -0.495 -12.778 1.00 0.00 H new ATOM 0 HG3 GLU A 12 117.264 0.479 -14.209 1.00 0.00 H new ATOM 181 N SER A 13 115.211 2.118 -9.043 1.00 0.00 N ATOM 182 CA SER A 13 114.080 2.802 -8.356 1.00 0.00 C ATOM 183 C SER A 13 113.982 4.256 -8.819 1.00 0.00 C ATOM 184 O SER A 13 114.957 4.867 -9.208 1.00 0.00 O ATOM 185 CB SER A 13 114.314 2.773 -6.845 1.00 0.00 C ATOM 186 OG SER A 13 115.627 3.239 -6.564 1.00 0.00 O ATOM 0 H SER A 13 116.020 1.916 -8.455 1.00 0.00 H new ATOM 0 HA SER A 13 113.152 2.285 -8.601 1.00 0.00 H new ATOM 0 HB2 SER A 13 113.578 3.398 -6.339 1.00 0.00 H new ATOM 0 HB3 SER A 13 114.186 1.759 -6.465 1.00 0.00 H new ATOM 0 HG SER A 13 115.658 4.213 -6.669 1.00 0.00 H new ATOM 192 N THR A 14 112.806 4.813 -8.756 1.00 0.00 N ATOM 193 CA THR A 14 112.624 6.234 -9.165 1.00 0.00 C ATOM 194 C THR A 14 112.530 7.095 -7.906 1.00 0.00 C ATOM 195 O THR A 14 112.409 8.303 -7.971 1.00 0.00 O ATOM 196 CB THR A 14 111.335 6.372 -9.976 1.00 0.00 C ATOM 197 OG1 THR A 14 110.910 7.728 -9.963 1.00 0.00 O ATOM 198 CG2 THR A 14 110.247 5.491 -9.360 1.00 0.00 C ATOM 0 H THR A 14 111.958 4.343 -8.437 1.00 0.00 H new ATOM 0 HA THR A 14 113.466 6.557 -9.777 1.00 0.00 H new ATOM 0 HB THR A 14 111.518 6.058 -11.004 1.00 0.00 H new ATOM 0 HG1 THR A 14 111.590 8.280 -9.523 1.00 0.00 H new ATOM 0 HG21 THR A 14 109.328 5.590 -9.938 1.00 0.00 H new ATOM 0 HG22 THR A 14 110.572 4.451 -9.370 1.00 0.00 H new ATOM 0 HG23 THR A 14 110.064 5.804 -8.332 1.00 0.00 H new ATOM 206 N ILE A 15 112.594 6.473 -6.759 1.00 0.00 N ATOM 207 CA ILE A 15 112.512 7.232 -5.477 1.00 0.00 C ATOM 208 C ILE A 15 113.715 6.912 -4.589 1.00 0.00 C ATOM 209 O ILE A 15 113.960 7.588 -3.611 1.00 0.00 O ATOM 210 CB ILE A 15 111.215 6.860 -4.757 1.00 0.00 C ATOM 211 CG1 ILE A 15 110.970 5.357 -4.899 1.00 0.00 C ATOM 212 CG2 ILE A 15 110.045 7.628 -5.375 1.00 0.00 C ATOM 213 CD1 ILE A 15 109.861 4.926 -3.938 1.00 0.00 C ATOM 0 H ILE A 15 112.700 5.464 -6.655 1.00 0.00 H new ATOM 0 HA ILE A 15 112.519 8.301 -5.691 1.00 0.00 H new ATOM 0 HB ILE A 15 111.299 7.119 -3.702 1.00 0.00 H new ATOM 0 HG12 ILE A 15 110.689 5.119 -5.925 1.00 0.00 H new ATOM 0 HG13 ILE A 15 111.886 4.807 -4.684 1.00 0.00 H new ATOM 0 HG21 ILE A 15 109.122 7.361 -4.860 1.00 0.00 H new ATOM 0 HG22 ILE A 15 110.220 8.699 -5.275 1.00 0.00 H new ATOM 0 HG23 ILE A 15 109.959 7.372 -6.431 1.00 0.00 H new ATOM 0 HD11 ILE A 15 109.687 3.855 -4.040 1.00 0.00 H new ATOM 0 HD12 ILE A 15 110.160 5.149 -2.914 1.00 0.00 H new ATOM 0 HD13 ILE A 15 108.944 5.466 -4.174 1.00 0.00 H new ATOM 225 N PHE A 16 114.460 5.880 -4.908 1.00 0.00 N ATOM 226 CA PHE A 16 115.637 5.515 -4.059 1.00 0.00 C ATOM 227 C PHE A 16 116.913 5.535 -4.901 1.00 0.00 C ATOM 228 O PHE A 16 116.939 5.071 -6.023 1.00 0.00 O ATOM 229 CB PHE A 16 115.438 4.114 -3.470 1.00 0.00 C ATOM 230 CG PHE A 16 114.260 4.122 -2.525 1.00 0.00 C ATOM 231 CD1 PHE A 16 114.354 4.778 -1.291 1.00 0.00 C ATOM 232 CD2 PHE A 16 113.071 3.476 -2.884 1.00 0.00 C ATOM 233 CE1 PHE A 16 113.260 4.785 -0.416 1.00 0.00 C ATOM 234 CE2 PHE A 16 111.978 3.485 -2.011 1.00 0.00 C ATOM 235 CZ PHE A 16 112.072 4.138 -0.777 1.00 0.00 C ATOM 0 H PHE A 16 114.304 5.277 -5.716 1.00 0.00 H new ATOM 0 HA PHE A 16 115.727 6.240 -3.250 1.00 0.00 H new ATOM 0 HB2 PHE A 16 115.270 3.393 -4.270 1.00 0.00 H new ATOM 0 HB3 PHE A 16 116.338 3.800 -2.942 1.00 0.00 H new ATOM 0 HD1 PHE A 16 115.270 5.279 -1.014 1.00 0.00 H new ATOM 0 HD2 PHE A 16 112.998 2.970 -3.836 1.00 0.00 H new ATOM 0 HE1 PHE A 16 113.333 5.289 0.536 1.00 0.00 H new ATOM 0 HE2 PHE A 16 111.061 2.988 -2.290 1.00 0.00 H new ATOM 0 HZ PHE A 16 111.228 4.143 -0.103 1.00 0.00 H new ATOM 245 N SER A 17 117.970 6.081 -4.362 1.00 0.00 N ATOM 246 CA SER A 17 119.255 6.152 -5.118 1.00 0.00 C ATOM 247 C SER A 17 119.847 4.752 -5.311 1.00 0.00 C ATOM 248 O SER A 17 120.679 4.546 -6.171 1.00 0.00 O ATOM 249 CB SER A 17 120.249 7.012 -4.340 1.00 0.00 C ATOM 250 OG SER A 17 121.450 7.137 -5.091 1.00 0.00 O ATOM 0 H SER A 17 117.999 6.483 -3.425 1.00 0.00 H new ATOM 0 HA SER A 17 119.061 6.590 -6.097 1.00 0.00 H new ATOM 0 HB2 SER A 17 119.823 7.997 -4.147 1.00 0.00 H new ATOM 0 HB3 SER A 17 120.458 6.560 -3.371 1.00 0.00 H new ATOM 0 HG SER A 17 122.090 7.690 -4.595 1.00 0.00 H new ATOM 256 N LYS A 18 119.448 3.791 -4.516 1.00 0.00 N ATOM 257 CA LYS A 18 120.021 2.416 -4.668 1.00 0.00 C ATOM 258 C LYS A 18 118.911 1.366 -4.686 1.00 0.00 C ATOM 259 O LYS A 18 117.932 1.464 -3.978 1.00 0.00 O ATOM 260 CB LYS A 18 120.967 2.133 -3.498 1.00 0.00 C ATOM 261 CG LYS A 18 122.153 3.101 -3.540 1.00 0.00 C ATOM 262 CD LYS A 18 123.202 2.588 -4.531 1.00 0.00 C ATOM 263 CE LYS A 18 124.414 3.517 -4.520 1.00 0.00 C ATOM 264 NZ LYS A 18 125.080 3.448 -3.189 1.00 0.00 N ATOM 0 H LYS A 18 118.756 3.896 -3.774 1.00 0.00 H new ATOM 0 HA LYS A 18 120.564 2.365 -5.612 1.00 0.00 H new ATOM 0 HB2 LYS A 18 120.433 2.239 -2.554 1.00 0.00 H new ATOM 0 HB3 LYS A 18 121.324 1.104 -3.548 1.00 0.00 H new ATOM 0 HG2 LYS A 18 121.814 4.094 -3.835 1.00 0.00 H new ATOM 0 HG3 LYS A 18 122.592 3.196 -2.547 1.00 0.00 H new ATOM 0 HD2 LYS A 18 123.505 1.575 -4.264 1.00 0.00 H new ATOM 0 HD3 LYS A 18 122.777 2.540 -5.534 1.00 0.00 H new ATOM 0 HE2 LYS A 18 125.114 3.229 -5.304 1.00 0.00 H new ATOM 0 HE3 LYS A 18 124.103 4.540 -4.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 126.069 3.758 -3.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 124.582 4.068 -2.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 125.055 2.469 -2.839 1.00 0.00 H new ATOM 278 N GLY A 19 119.069 0.352 -5.493 1.00 0.00 N ATOM 279 CA GLY A 19 118.031 -0.715 -5.563 1.00 0.00 C ATOM 280 C GLY A 19 118.669 -2.022 -6.040 1.00 0.00 C ATOM 281 O GLY A 19 119.793 -2.041 -6.501 1.00 0.00 O ATOM 0 H GLY A 19 119.872 0.217 -6.107 1.00 0.00 H new ATOM 0 HA2 GLY A 19 117.575 -0.858 -4.583 1.00 0.00 H new ATOM 0 HA3 GLY A 19 117.235 -0.417 -6.245 1.00 0.00 H new ATOM 285 N TYR A 20 117.958 -3.114 -5.937 1.00 0.00 N ATOM 286 CA TYR A 20 118.511 -4.427 -6.384 1.00 0.00 C ATOM 287 C TYR A 20 117.513 -5.112 -7.320 1.00 0.00 C ATOM 288 O TYR A 20 116.338 -4.805 -7.326 1.00 0.00 O ATOM 289 CB TYR A 20 118.755 -5.323 -5.170 1.00 0.00 C ATOM 290 CG TYR A 20 119.993 -4.865 -4.436 1.00 0.00 C ATOM 291 CD1 TYR A 20 119.964 -3.690 -3.678 1.00 0.00 C ATOM 292 CD2 TYR A 20 121.168 -5.624 -4.508 1.00 0.00 C ATOM 293 CE1 TYR A 20 121.110 -3.271 -2.992 1.00 0.00 C ATOM 294 CE2 TYR A 20 122.314 -5.206 -3.822 1.00 0.00 C ATOM 295 CZ TYR A 20 122.285 -4.029 -3.065 1.00 0.00 C ATOM 296 OH TYR A 20 123.415 -3.616 -2.387 1.00 0.00 O ATOM 0 H TYR A 20 117.011 -3.153 -5.560 1.00 0.00 H new ATOM 0 HA TYR A 20 119.451 -4.259 -6.909 1.00 0.00 H new ATOM 0 HB2 TYR A 20 117.893 -5.290 -4.504 1.00 0.00 H new ATOM 0 HB3 TYR A 20 118.872 -6.359 -5.489 1.00 0.00 H new ATOM 0 HD1 TYR A 20 119.057 -3.106 -3.622 1.00 0.00 H new ATOM 0 HD2 TYR A 20 121.190 -6.532 -5.093 1.00 0.00 H new ATOM 0 HE1 TYR A 20 121.088 -2.364 -2.407 1.00 0.00 H new ATOM 0 HE2 TYR A 20 123.220 -5.791 -3.877 1.00 0.00 H new ATOM 0 HH TYR A 20 124.142 -4.255 -2.542 1.00 0.00 H new ATOM 306 N SER A 21 117.972 -6.047 -8.105 1.00 0.00 N ATOM 307 CA SER A 21 117.053 -6.764 -9.034 1.00 0.00 C ATOM 308 C SER A 21 116.497 -8.005 -8.330 1.00 0.00 C ATOM 309 O SER A 21 117.151 -8.599 -7.495 1.00 0.00 O ATOM 310 CB SER A 21 117.818 -7.185 -10.288 1.00 0.00 C ATOM 311 OG SER A 21 117.094 -8.207 -10.961 1.00 0.00 O ATOM 0 H SER A 21 118.946 -6.346 -8.143 1.00 0.00 H new ATOM 0 HA SER A 21 116.232 -6.106 -9.319 1.00 0.00 H new ATOM 0 HB2 SER A 21 117.957 -6.328 -10.947 1.00 0.00 H new ATOM 0 HB3 SER A 21 118.811 -7.545 -10.018 1.00 0.00 H new ATOM 0 HG SER A 21 117.582 -8.477 -11.767 1.00 0.00 H new ATOM 317 N ILE A 22 115.294 -8.403 -8.657 1.00 0.00 N ATOM 318 CA ILE A 22 114.707 -9.603 -7.996 1.00 0.00 C ATOM 319 C ILE A 22 115.613 -10.814 -8.240 1.00 0.00 C ATOM 320 O ILE A 22 115.722 -11.697 -7.413 1.00 0.00 O ATOM 321 CB ILE A 22 113.314 -9.876 -8.564 1.00 0.00 C ATOM 322 CG1 ILE A 22 113.404 -10.117 -10.072 1.00 0.00 C ATOM 323 CG2 ILE A 22 112.412 -8.671 -8.295 1.00 0.00 C ATOM 324 CD1 ILE A 22 112.028 -10.516 -10.605 1.00 0.00 C ATOM 0 H ILE A 22 114.697 -7.951 -9.349 1.00 0.00 H new ATOM 0 HA ILE A 22 114.625 -9.423 -6.924 1.00 0.00 H new ATOM 0 HB ILE A 22 112.898 -10.762 -8.084 1.00 0.00 H new ATOM 0 HG12 ILE A 22 113.754 -9.216 -10.575 1.00 0.00 H new ATOM 0 HG13 ILE A 22 114.130 -10.902 -10.283 1.00 0.00 H new ATOM 0 HG21 ILE A 22 111.418 -8.863 -8.699 1.00 0.00 H new ATOM 0 HG22 ILE A 22 112.341 -8.503 -7.220 1.00 0.00 H new ATOM 0 HG23 ILE A 22 112.834 -7.787 -8.773 1.00 0.00 H new ATOM 0 HD11 ILE A 22 112.090 -10.688 -11.680 1.00 0.00 H new ATOM 0 HD12 ILE A 22 111.697 -11.429 -10.110 1.00 0.00 H new ATOM 0 HD13 ILE A 22 111.315 -9.716 -10.406 1.00 0.00 H new ATOM 336 N ASN A 23 116.265 -10.863 -9.369 1.00 0.00 N ATOM 337 CA ASN A 23 117.166 -12.013 -9.662 1.00 0.00 C ATOM 338 C ASN A 23 118.384 -11.962 -8.741 1.00 0.00 C ATOM 339 O ASN A 23 118.849 -12.973 -8.254 1.00 0.00 O ATOM 340 CB ASN A 23 117.627 -11.945 -11.121 1.00 0.00 C ATOM 341 CG ASN A 23 118.575 -13.112 -11.411 1.00 0.00 C ATOM 342 OD1 ASN A 23 119.052 -13.762 -10.502 1.00 0.00 O ATOM 343 ND2 ASN A 23 118.870 -13.404 -12.648 1.00 0.00 N ATOM 0 H ASN A 23 116.213 -10.156 -10.102 1.00 0.00 H new ATOM 0 HA ASN A 23 116.625 -12.944 -9.494 1.00 0.00 H new ATOM 0 HB2 ASN A 23 116.766 -11.987 -11.788 1.00 0.00 H new ATOM 0 HB3 ASN A 23 118.131 -10.997 -11.311 1.00 0.00 H new ATOM 0 HD21 ASN A 23 119.501 -14.178 -12.853 1.00 0.00 H new ATOM 0 HD22 ASN A 23 118.469 -12.858 -13.410 1.00 0.00 H new ATOM 350 N GLU A 24 118.914 -10.790 -8.509 1.00 0.00 N ATOM 351 CA GLU A 24 120.113 -10.670 -7.633 1.00 0.00 C ATOM 352 C GLU A 24 119.792 -11.167 -6.222 1.00 0.00 C ATOM 353 O GLU A 24 120.561 -11.895 -5.627 1.00 0.00 O ATOM 354 CB GLU A 24 120.552 -9.206 -7.572 1.00 0.00 C ATOM 355 CG GLU A 24 121.170 -8.798 -8.911 1.00 0.00 C ATOM 356 CD GLU A 24 121.468 -7.297 -8.901 1.00 0.00 C ATOM 357 OE1 GLU A 24 121.203 -6.666 -7.890 1.00 0.00 O ATOM 358 OE2 GLU A 24 121.956 -6.803 -9.904 1.00 0.00 O ATOM 0 H GLU A 24 118.566 -9.910 -8.890 1.00 0.00 H new ATOM 0 HA GLU A 24 120.917 -11.279 -8.046 1.00 0.00 H new ATOM 0 HB2 GLU A 24 119.697 -8.569 -7.346 1.00 0.00 H new ATOM 0 HB3 GLU A 24 121.275 -9.066 -6.769 1.00 0.00 H new ATOM 0 HG2 GLU A 24 122.087 -9.360 -9.086 1.00 0.00 H new ATOM 0 HG3 GLU A 24 120.488 -9.038 -9.726 1.00 0.00 H new ATOM 365 N ILE A 25 118.671 -10.782 -5.676 1.00 0.00 N ATOM 366 CA ILE A 25 118.328 -11.245 -4.303 1.00 0.00 C ATOM 367 C ILE A 25 118.036 -12.746 -4.323 1.00 0.00 C ATOM 368 O ILE A 25 118.506 -13.488 -3.482 1.00 0.00 O ATOM 369 CB ILE A 25 117.105 -10.477 -3.790 1.00 0.00 C ATOM 370 CG1 ILE A 25 115.970 -10.577 -4.808 1.00 0.00 C ATOM 371 CG2 ILE A 25 117.472 -9.008 -3.585 1.00 0.00 C ATOM 372 CD1 ILE A 25 114.804 -9.690 -4.363 1.00 0.00 C ATOM 0 H ILE A 25 117.983 -10.172 -6.117 1.00 0.00 H new ATOM 0 HA ILE A 25 119.170 -11.057 -3.637 1.00 0.00 H new ATOM 0 HB ILE A 25 116.782 -10.909 -2.843 1.00 0.00 H new ATOM 0 HG12 ILE A 25 116.322 -10.267 -5.792 1.00 0.00 H new ATOM 0 HG13 ILE A 25 115.639 -11.612 -4.899 1.00 0.00 H new ATOM 0 HG21 ILE A 25 116.601 -8.463 -3.220 1.00 0.00 H new ATOM 0 HG22 ILE A 25 118.279 -8.933 -2.856 1.00 0.00 H new ATOM 0 HG23 ILE A 25 117.798 -8.579 -4.532 1.00 0.00 H new ATOM 0 HD11 ILE A 25 113.995 -9.762 -5.089 1.00 0.00 H new ATOM 0 HD12 ILE A 25 114.447 -10.021 -3.388 1.00 0.00 H new ATOM 0 HD13 ILE A 25 115.140 -8.655 -4.294 1.00 0.00 H new ATOM 384 N SER A 26 117.274 -13.201 -5.281 1.00 0.00 N ATOM 385 CA SER A 26 116.962 -14.654 -5.355 1.00 0.00 C ATOM 386 C SER A 26 118.233 -15.426 -5.653 1.00 0.00 C ATOM 387 O SER A 26 118.521 -16.392 -4.989 1.00 0.00 O ATOM 388 CB SER A 26 115.936 -14.905 -6.454 1.00 0.00 C ATOM 389 OG SER A 26 115.333 -16.178 -6.252 1.00 0.00 O ATOM 0 H SER A 26 116.855 -12.629 -6.014 1.00 0.00 H new ATOM 0 HA SER A 26 116.551 -14.987 -4.402 1.00 0.00 H new ATOM 0 HB2 SER A 26 115.176 -14.124 -6.443 1.00 0.00 H new ATOM 0 HB3 SER A 26 116.417 -14.868 -7.432 1.00 0.00 H new ATOM 0 HG SER A 26 114.671 -16.342 -6.956 1.00 0.00 H new ATOM 395 N ASN A 27 118.983 -15.005 -6.655 1.00 0.00 N ATOM 396 CA ASN A 27 120.259 -15.711 -7.019 1.00 0.00 C ATOM 397 C ASN A 27 120.541 -16.816 -6.002 1.00 0.00 C ATOM 398 O ASN A 27 121.221 -16.601 -5.019 1.00 0.00 O ATOM 399 CB ASN A 27 121.409 -14.707 -6.999 1.00 0.00 C ATOM 400 CG ASN A 27 122.571 -15.253 -7.827 1.00 0.00 C ATOM 401 OD1 ASN A 27 122.376 -15.720 -8.931 1.00 0.00 O ATOM 402 ND2 ASN A 27 123.778 -15.223 -7.334 1.00 0.00 N ATOM 0 H ASN A 27 118.762 -14.198 -7.238 1.00 0.00 H new ATOM 0 HA ASN A 27 120.163 -16.147 -8.013 1.00 0.00 H new ATOM 0 HB2 ASN A 27 121.078 -13.750 -7.402 1.00 0.00 H new ATOM 0 HB3 ASN A 27 121.731 -14.526 -5.974 1.00 0.00 H new ATOM 0 HD21 ASN A 27 124.559 -15.592 -7.876 1.00 0.00 H new ATOM 0 HD22 ASN A 27 123.941 -14.831 -6.407 1.00 0.00 H new ATOM 409 N LYS A 28 119.981 -17.978 -6.216 1.00 0.00 N ATOM 410 CA LYS A 28 120.183 -19.100 -5.252 1.00 0.00 C ATOM 411 C LYS A 28 121.627 -19.090 -4.767 1.00 0.00 C ATOM 412 O LYS A 28 122.445 -18.371 -5.287 1.00 0.00 O ATOM 413 CB LYS A 28 119.887 -20.428 -5.956 1.00 0.00 C ATOM 414 CG LYS A 28 118.402 -20.770 -5.816 1.00 0.00 C ATOM 415 CD LYS A 28 117.577 -19.826 -6.694 1.00 0.00 C ATOM 416 CE LYS A 28 116.089 -20.117 -6.499 1.00 0.00 C ATOM 417 NZ LYS A 28 115.775 -21.475 -7.025 1.00 0.00 N ATOM 0 H LYS A 28 119.391 -18.199 -7.018 1.00 0.00 H new ATOM 0 HA LYS A 28 119.513 -18.982 -4.401 1.00 0.00 H new ATOM 0 HB2 LYS A 28 120.156 -20.359 -7.010 1.00 0.00 H new ATOM 0 HB3 LYS A 28 120.495 -21.223 -5.523 1.00 0.00 H new ATOM 0 HG2 LYS A 28 118.227 -21.805 -6.111 1.00 0.00 H new ATOM 0 HG3 LYS A 28 118.093 -20.679 -4.775 1.00 0.00 H new ATOM 0 HD2 LYS A 28 117.793 -18.790 -6.434 1.00 0.00 H new ATOM 0 HD3 LYS A 28 117.849 -19.956 -7.741 1.00 0.00 H new ATOM 0 HE2 LYS A 28 115.831 -20.056 -5.442 1.00 0.00 H new ATOM 0 HE3 LYS A 28 115.490 -19.368 -7.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 114.746 -21.571 -7.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 116.245 -21.609 -7.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 116.114 -22.194 -6.354 1.00 0.00 H new ATOM 431 N SER A 29 121.941 -19.876 -3.772 1.00 0.00 N ATOM 432 CA SER A 29 123.337 -19.903 -3.246 1.00 0.00 C ATOM 433 C SER A 29 124.331 -20.024 -4.405 1.00 0.00 C ATOM 434 O SER A 29 124.905 -21.069 -4.634 1.00 0.00 O ATOM 435 CB SER A 29 123.503 -21.099 -2.310 1.00 0.00 C ATOM 436 OG SER A 29 123.081 -22.281 -2.979 1.00 0.00 O ATOM 0 H SER A 29 121.289 -20.502 -3.300 1.00 0.00 H new ATOM 0 HA SER A 29 123.532 -18.979 -2.702 1.00 0.00 H new ATOM 0 HB2 SER A 29 124.545 -21.193 -2.003 1.00 0.00 H new ATOM 0 HB3 SER A 29 122.916 -20.951 -1.404 1.00 0.00 H new ATOM 0 HG SER A 29 123.652 -22.437 -3.760 1.00 0.00 H new ATOM 442 N SER A 30 124.524 -18.965 -5.144 1.00 0.00 N ATOM 443 CA SER A 30 125.468 -19.011 -6.294 1.00 0.00 C ATOM 444 C SER A 30 126.448 -17.844 -6.192 1.00 0.00 C ATOM 445 O SER A 30 127.622 -17.990 -6.460 1.00 0.00 O ATOM 446 CB SER A 30 124.684 -18.908 -7.602 1.00 0.00 C ATOM 447 OG SER A 30 124.295 -17.557 -7.814 1.00 0.00 O ATOM 0 H SER A 30 124.065 -18.066 -4.999 1.00 0.00 H new ATOM 0 HA SER A 30 126.019 -19.951 -6.276 1.00 0.00 H new ATOM 0 HB2 SER A 30 125.296 -19.257 -8.434 1.00 0.00 H new ATOM 0 HB3 SER A 30 123.804 -19.550 -7.563 1.00 0.00 H new ATOM 0 HG SER A 30 123.936 -17.458 -8.720 1.00 0.00 H new ATOM 453 N ASN A 31 125.977 -16.688 -5.800 1.00 0.00 N ATOM 454 CA ASN A 31 126.886 -15.508 -5.675 1.00 0.00 C ATOM 455 C ASN A 31 126.889 -15.014 -4.227 1.00 0.00 C ATOM 456 O ASN A 31 127.759 -14.273 -3.818 1.00 0.00 O ATOM 457 CB ASN A 31 126.398 -14.386 -6.594 1.00 0.00 C ATOM 458 CG ASN A 31 127.431 -13.257 -6.613 1.00 0.00 C ATOM 459 OD1 ASN A 31 128.605 -13.490 -6.409 1.00 0.00 O ATOM 460 ND2 ASN A 31 127.038 -12.036 -6.847 1.00 0.00 N ATOM 0 H ASN A 31 125.002 -16.510 -5.561 1.00 0.00 H new ATOM 0 HA ASN A 31 127.897 -15.799 -5.961 1.00 0.00 H new ATOM 0 HB2 ASN A 31 126.243 -14.769 -7.603 1.00 0.00 H new ATOM 0 HB3 ASN A 31 125.437 -14.008 -6.246 1.00 0.00 H new ATOM 0 HD21 ASN A 31 127.717 -11.275 -6.859 1.00 0.00 H new ATOM 0 HD22 ASN A 31 126.051 -11.842 -7.018 1.00 0.00 H new ATOM 467 N ASN A 32 125.923 -15.418 -3.447 1.00 0.00 N ATOM 468 CA ASN A 32 125.875 -14.967 -2.028 1.00 0.00 C ATOM 469 C ASN A 32 124.959 -15.895 -1.230 1.00 0.00 C ATOM 470 O ASN A 32 123.774 -15.977 -1.481 1.00 0.00 O ATOM 471 CB ASN A 32 125.333 -13.537 -1.965 1.00 0.00 C ATOM 472 CG ASN A 32 123.995 -13.464 -2.705 1.00 0.00 C ATOM 473 OD1 ASN A 32 123.493 -14.463 -3.179 1.00 0.00 O ATOM 474 ND2 ASN A 32 123.393 -12.314 -2.827 1.00 0.00 N ATOM 0 H ASN A 32 125.166 -16.040 -3.731 1.00 0.00 H new ATOM 0 HA ASN A 32 126.879 -14.994 -1.604 1.00 0.00 H new ATOM 0 HB2 ASN A 32 125.203 -13.232 -0.927 1.00 0.00 H new ATOM 0 HB3 ASN A 32 126.047 -12.846 -2.414 1.00 0.00 H new ATOM 0 HD21 ASN A 32 122.502 -12.255 -3.320 1.00 0.00 H new ATOM 0 HD22 ASN A 32 123.813 -11.474 -2.430 1.00 0.00 H new ATOM 481 N GLN A 33 125.496 -16.596 -0.267 1.00 0.00 N ATOM 482 CA GLN A 33 124.653 -17.520 0.549 1.00 0.00 C ATOM 483 C GLN A 33 124.522 -16.974 1.971 1.00 0.00 C ATOM 484 O GLN A 33 124.788 -17.662 2.936 1.00 0.00 O ATOM 485 CB GLN A 33 125.303 -18.904 0.585 1.00 0.00 C ATOM 486 CG GLN A 33 126.754 -18.781 1.054 1.00 0.00 C ATOM 487 CD GLN A 33 127.397 -20.168 1.092 1.00 0.00 C ATOM 488 OE1 GLN A 33 127.238 -20.950 0.176 1.00 0.00 O ATOM 489 NE2 GLN A 33 128.121 -20.511 2.123 1.00 0.00 N ATOM 0 H GLN A 33 126.483 -16.569 -0.010 1.00 0.00 H new ATOM 0 HA GLN A 33 123.662 -17.598 0.102 1.00 0.00 H new ATOM 0 HB2 GLN A 33 124.748 -19.559 1.256 1.00 0.00 H new ATOM 0 HB3 GLN A 33 125.268 -19.358 -0.405 1.00 0.00 H new ATOM 0 HG2 GLN A 33 127.311 -18.129 0.381 1.00 0.00 H new ATOM 0 HG3 GLN A 33 126.790 -18.324 2.043 1.00 0.00 H new ATOM 0 HE21 GLN A 33 128.255 -19.855 2.893 1.00 0.00 H new ATOM 0 HE22 GLN A 33 128.552 -21.435 2.159 1.00 0.00 H new ATOM 498 N GLN A 34 124.106 -15.743 2.114 1.00 0.00 N ATOM 499 CA GLN A 34 123.954 -15.165 3.477 1.00 0.00 C ATOM 500 C GLN A 34 122.860 -14.095 3.458 1.00 0.00 C ATOM 501 O GLN A 34 122.123 -13.963 2.501 1.00 0.00 O ATOM 502 CB GLN A 34 125.278 -14.532 3.913 1.00 0.00 C ATOM 503 CG GLN A 34 125.670 -13.429 2.928 1.00 0.00 C ATOM 504 CD GLN A 34 126.994 -12.799 3.370 1.00 0.00 C ATOM 505 OE1 GLN A 34 127.681 -13.335 4.216 1.00 0.00 O ATOM 506 NE2 GLN A 34 127.387 -11.682 2.822 1.00 0.00 N ATOM 0 H GLN A 34 123.866 -15.116 1.346 1.00 0.00 H new ATOM 0 HA GLN A 34 123.679 -15.954 4.178 1.00 0.00 H new ATOM 0 HB2 GLN A 34 125.182 -14.119 4.917 1.00 0.00 H new ATOM 0 HB3 GLN A 34 126.059 -15.291 3.954 1.00 0.00 H new ATOM 0 HG2 GLN A 34 125.768 -13.841 1.924 1.00 0.00 H new ATOM 0 HG3 GLN A 34 124.889 -12.669 2.886 1.00 0.00 H new ATOM 0 HE21 GLN A 34 126.810 -11.232 2.111 1.00 0.00 H new ATOM 0 HE22 GLN A 34 128.271 -11.259 3.104 1.00 0.00 H new ATOM 515 N ASP A 35 122.745 -13.335 4.511 1.00 0.00 N ATOM 516 CA ASP A 35 121.694 -12.279 4.561 1.00 0.00 C ATOM 517 C ASP A 35 122.093 -11.120 3.651 1.00 0.00 C ATOM 518 O ASP A 35 123.248 -10.748 3.581 1.00 0.00 O ATOM 519 CB ASP A 35 121.554 -11.768 5.999 1.00 0.00 C ATOM 520 CG ASP A 35 121.518 -12.950 6.969 1.00 0.00 C ATOM 521 OD1 ASP A 35 121.967 -14.019 6.593 1.00 0.00 O ATOM 522 OD2 ASP A 35 121.045 -12.764 8.078 1.00 0.00 O ATOM 0 H ASP A 35 123.334 -13.399 5.341 1.00 0.00 H new ATOM 0 HA ASP A 35 120.744 -12.696 4.226 1.00 0.00 H new ATOM 0 HB2 ASP A 35 122.388 -11.111 6.244 1.00 0.00 H new ATOM 0 HB3 ASP A 35 120.643 -11.177 6.097 1.00 0.00 H new ATOM 527 N ILE A 36 121.149 -10.532 2.962 1.00 0.00 N ATOM 528 CA ILE A 36 121.495 -9.387 2.074 1.00 0.00 C ATOM 529 C ILE A 36 121.424 -8.101 2.892 1.00 0.00 C ATOM 530 O ILE A 36 120.413 -7.795 3.482 1.00 0.00 O ATOM 531 CB ILE A 36 120.498 -9.312 0.917 1.00 0.00 C ATOM 532 CG1 ILE A 36 120.416 -10.677 0.225 1.00 0.00 C ATOM 533 CG2 ILE A 36 120.961 -8.255 -0.087 1.00 0.00 C ATOM 534 CD1 ILE A 36 121.817 -11.129 -0.195 1.00 0.00 C ATOM 0 H ILE A 36 120.163 -10.793 2.976 1.00 0.00 H new ATOM 0 HA ILE A 36 122.498 -9.520 1.669 1.00 0.00 H new ATOM 0 HB ILE A 36 119.514 -9.041 1.300 1.00 0.00 H new ATOM 0 HG12 ILE A 36 119.974 -11.411 0.899 1.00 0.00 H new ATOM 0 HG13 ILE A 36 119.767 -10.614 -0.648 1.00 0.00 H new ATOM 0 HG21 ILE A 36 120.251 -8.201 -0.912 1.00 0.00 H new ATOM 0 HG22 ILE A 36 121.018 -7.285 0.407 1.00 0.00 H new ATOM 0 HG23 ILE A 36 121.944 -8.525 -0.472 1.00 0.00 H new ATOM 0 HD11 ILE A 36 121.754 -12.100 -0.687 1.00 0.00 H new ATOM 0 HD12 ILE A 36 122.243 -10.400 -0.884 1.00 0.00 H new ATOM 0 HD13 ILE A 36 122.453 -11.209 0.687 1.00 0.00 H new ATOM 546 N VAL A 37 122.496 -7.358 2.952 1.00 0.00 N ATOM 547 CA VAL A 37 122.489 -6.101 3.760 1.00 0.00 C ATOM 548 C VAL A 37 122.751 -4.891 2.869 1.00 0.00 C ATOM 549 O VAL A 37 123.686 -4.864 2.095 1.00 0.00 O ATOM 550 CB VAL A 37 123.583 -6.180 4.825 1.00 0.00 C ATOM 551 CG1 VAL A 37 123.755 -4.808 5.479 1.00 0.00 C ATOM 552 CG2 VAL A 37 123.189 -7.206 5.890 1.00 0.00 C ATOM 0 H VAL A 37 123.375 -7.565 2.478 1.00 0.00 H new ATOM 0 HA VAL A 37 121.511 -5.992 4.229 1.00 0.00 H new ATOM 0 HB VAL A 37 124.521 -6.483 4.360 1.00 0.00 H new ATOM 0 HG11 VAL A 37 124.535 -4.862 6.239 1.00 0.00 H new ATOM 0 HG12 VAL A 37 124.037 -4.077 4.722 1.00 0.00 H new ATOM 0 HG13 VAL A 37 122.816 -4.506 5.943 1.00 0.00 H new ATOM 0 HG21 VAL A 37 123.970 -7.261 6.649 1.00 0.00 H new ATOM 0 HG22 VAL A 37 122.251 -6.905 6.356 1.00 0.00 H new ATOM 0 HG23 VAL A 37 123.065 -8.184 5.425 1.00 0.00 H new ATOM 562 N CYS A 38 121.944 -3.871 2.994 1.00 0.00 N ATOM 563 CA CYS A 38 122.170 -2.647 2.180 1.00 0.00 C ATOM 564 C CYS A 38 122.839 -1.601 3.071 1.00 0.00 C ATOM 565 O CYS A 38 122.193 -0.951 3.870 1.00 0.00 O ATOM 566 CB CYS A 38 120.829 -2.099 1.685 1.00 0.00 C ATOM 567 SG CYS A 38 120.078 -3.268 0.524 1.00 0.00 S ATOM 0 H CYS A 38 121.142 -3.835 3.623 1.00 0.00 H new ATOM 0 HA CYS A 38 122.798 -2.881 1.321 1.00 0.00 H new ATOM 0 HB2 CYS A 38 120.161 -1.931 2.529 1.00 0.00 H new ATOM 0 HB3 CYS A 38 120.977 -1.135 1.199 1.00 0.00 H new ATOM 572 N THR A 39 124.128 -1.434 2.950 1.00 0.00 N ATOM 573 CA THR A 39 124.826 -0.438 3.807 1.00 0.00 C ATOM 574 C THR A 39 124.940 0.892 3.068 1.00 0.00 C ATOM 575 O THR A 39 125.544 0.984 2.016 1.00 0.00 O ATOM 576 CB THR A 39 126.230 -0.955 4.144 1.00 0.00 C ATOM 577 OG1 THR A 39 126.125 -2.207 4.809 1.00 0.00 O ATOM 578 CG2 THR A 39 126.942 0.048 5.053 1.00 0.00 C ATOM 0 H THR A 39 124.724 -1.943 2.297 1.00 0.00 H new ATOM 0 HA THR A 39 124.257 -0.291 4.725 1.00 0.00 H new ATOM 0 HB THR A 39 126.802 -1.077 3.224 1.00 0.00 H new ATOM 0 HG1 THR A 39 127.022 -2.540 5.024 1.00 0.00 H new ATOM 0 HG21 THR A 39 127.939 -0.321 5.291 1.00 0.00 H new ATOM 0 HG22 THR A 39 127.023 1.008 4.543 1.00 0.00 H new ATOM 0 HG23 THR A 39 126.372 0.173 5.974 1.00 0.00 H new ATOM 586 N VAL A 40 124.376 1.929 3.623 1.00 0.00 N ATOM 587 CA VAL A 40 124.463 3.266 2.968 1.00 0.00 C ATOM 588 C VAL A 40 124.658 4.339 4.040 1.00 0.00 C ATOM 589 O VAL A 40 124.293 4.154 5.184 1.00 0.00 O ATOM 590 CB VAL A 40 123.175 3.544 2.189 1.00 0.00 C ATOM 591 CG1 VAL A 40 123.075 2.580 1.004 1.00 0.00 C ATOM 592 CG2 VAL A 40 121.970 3.344 3.109 1.00 0.00 C ATOM 0 H VAL A 40 123.858 1.909 4.502 1.00 0.00 H new ATOM 0 HA VAL A 40 125.307 3.280 2.278 1.00 0.00 H new ATOM 0 HB VAL A 40 123.188 4.570 1.822 1.00 0.00 H new ATOM 0 HG11 VAL A 40 122.158 2.779 0.450 1.00 0.00 H new ATOM 0 HG12 VAL A 40 123.933 2.721 0.347 1.00 0.00 H new ATOM 0 HG13 VAL A 40 123.063 1.553 1.370 1.00 0.00 H new ATOM 0 HG21 VAL A 40 121.052 3.542 2.555 1.00 0.00 H new ATOM 0 HG22 VAL A 40 121.958 2.318 3.476 1.00 0.00 H new ATOM 0 HG23 VAL A 40 122.039 4.030 3.953 1.00 0.00 H new ATOM 602 N LYS A 41 125.223 5.460 3.684 1.00 0.00 N ATOM 603 CA LYS A 41 125.429 6.539 4.692 1.00 0.00 C ATOM 604 C LYS A 41 124.289 7.554 4.589 1.00 0.00 C ATOM 605 O LYS A 41 123.951 8.017 3.518 1.00 0.00 O ATOM 606 CB LYS A 41 126.763 7.236 4.428 1.00 0.00 C ATOM 607 CG LYS A 41 127.908 6.259 4.700 1.00 0.00 C ATOM 608 CD LYS A 41 129.239 6.917 4.332 1.00 0.00 C ATOM 609 CE LYS A 41 129.626 7.935 5.408 1.00 0.00 C ATOM 610 NZ LYS A 41 131.050 8.328 5.231 1.00 0.00 N ATOM 0 H LYS A 41 125.550 5.675 2.742 1.00 0.00 H new ATOM 0 HA LYS A 41 125.440 6.107 5.693 1.00 0.00 H new ATOM 0 HB2 LYS A 41 126.806 7.586 3.396 1.00 0.00 H new ATOM 0 HB3 LYS A 41 126.860 8.114 5.066 1.00 0.00 H new ATOM 0 HG2 LYS A 41 127.911 5.970 5.751 1.00 0.00 H new ATOM 0 HG3 LYS A 41 127.768 5.347 4.119 1.00 0.00 H new ATOM 0 HD2 LYS A 41 130.017 6.159 4.238 1.00 0.00 H new ATOM 0 HD3 LYS A 41 129.156 7.411 3.364 1.00 0.00 H new ATOM 0 HE2 LYS A 41 128.984 8.813 5.340 1.00 0.00 H new ATOM 0 HE3 LYS A 41 129.476 7.507 6.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 131.313 9.020 5.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 131.656 7.487 5.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 131.179 8.753 4.290 1.00 0.00 H new ATOM 624 N ALA A 42 123.693 7.900 5.696 1.00 0.00 N ATOM 625 CA ALA A 42 122.571 8.881 5.663 1.00 0.00 C ATOM 626 C ALA A 42 123.085 10.262 6.072 1.00 0.00 C ATOM 627 O ALA A 42 124.144 10.392 6.651 1.00 0.00 O ATOM 628 CB ALA A 42 121.479 8.434 6.635 1.00 0.00 C ATOM 0 H ALA A 42 123.934 7.546 6.622 1.00 0.00 H new ATOM 0 HA ALA A 42 122.163 8.933 4.654 1.00 0.00 H new ATOM 0 HB1 ALA A 42 120.657 9.150 6.613 1.00 0.00 H new ATOM 0 HB2 ALA A 42 121.112 7.450 6.342 1.00 0.00 H new ATOM 0 HB3 ALA A 42 121.889 8.383 7.644 1.00 0.00 H new ATOM 634 N HIS A 43 122.340 11.297 5.776 1.00 0.00 N ATOM 635 CA HIS A 43 122.788 12.671 6.148 1.00 0.00 C ATOM 636 C HIS A 43 121.631 13.422 6.814 1.00 0.00 C ATOM 637 O HIS A 43 120.474 13.188 6.526 1.00 0.00 O ATOM 638 CB HIS A 43 123.228 13.424 4.891 1.00 0.00 C ATOM 639 CG HIS A 43 124.131 14.560 5.277 1.00 0.00 C ATOM 640 ND1 HIS A 43 123.639 15.794 5.678 1.00 0.00 N ATOM 641 CD2 HIS A 43 125.499 14.667 5.327 1.00 0.00 C ATOM 642 CE1 HIS A 43 124.694 16.583 5.949 1.00 0.00 C ATOM 643 NE2 HIS A 43 125.848 15.943 5.751 1.00 0.00 N ATOM 0 H HIS A 43 121.443 11.249 5.294 1.00 0.00 H new ATOM 0 HA HIS A 43 123.626 12.604 6.842 1.00 0.00 H new ATOM 0 HB2 HIS A 43 123.747 12.747 4.212 1.00 0.00 H new ATOM 0 HB3 HIS A 43 122.356 13.804 4.358 1.00 0.00 H new ATOM 0 HD2 HIS A 43 126.196 13.881 5.076 1.00 0.00 H new ATOM 0 HE1 HIS A 43 124.617 17.607 6.285 1.00 0.00 H new ATOM 0 HE2 HIS A 43 126.789 16.313 5.883 1.00 0.00 H new ATOM 652 N ALA A 44 121.938 14.311 7.718 1.00 0.00 N ATOM 653 CA ALA A 44 120.865 15.069 8.423 1.00 0.00 C ATOM 654 C ALA A 44 119.922 15.709 7.401 1.00 0.00 C ATOM 655 O ALA A 44 118.765 15.953 7.679 1.00 0.00 O ATOM 656 CB ALA A 44 121.502 16.165 9.281 1.00 0.00 C ATOM 0 H ALA A 44 122.890 14.546 8.000 1.00 0.00 H new ATOM 0 HA ALA A 44 120.298 14.386 9.056 1.00 0.00 H new ATOM 0 HB1 ALA A 44 120.721 16.722 9.798 1.00 0.00 H new ATOM 0 HB2 ALA A 44 122.170 15.712 10.013 1.00 0.00 H new ATOM 0 HB3 ALA A 44 122.069 16.843 8.643 1.00 0.00 H new ATOM 662 N ASN A 45 120.407 15.990 6.225 1.00 0.00 N ATOM 663 CA ASN A 45 119.538 16.619 5.189 1.00 0.00 C ATOM 664 C ASN A 45 119.044 15.552 4.210 1.00 0.00 C ATOM 665 O ASN A 45 118.043 15.723 3.543 1.00 0.00 O ATOM 666 CB ASN A 45 120.344 17.673 4.425 1.00 0.00 C ATOM 667 CG ASN A 45 119.441 18.369 3.406 1.00 0.00 C ATOM 668 OD1 ASN A 45 118.281 18.617 3.671 1.00 0.00 O ATOM 669 ND2 ASN A 45 119.926 18.696 2.239 1.00 0.00 N ATOM 0 H ASN A 45 121.368 15.812 5.935 1.00 0.00 H new ATOM 0 HA ASN A 45 118.681 17.088 5.673 1.00 0.00 H new ATOM 0 HB2 ASN A 45 120.756 18.404 5.120 1.00 0.00 H new ATOM 0 HB3 ASN A 45 121.187 17.204 3.918 1.00 0.00 H new ATOM 0 HD21 ASN A 45 119.332 19.159 1.551 1.00 0.00 H new ATOM 0 HD22 ASN A 45 120.899 18.489 2.015 1.00 0.00 H new ATOM 676 N ASP A 46 119.752 14.462 4.106 1.00 0.00 N ATOM 677 CA ASP A 46 119.338 13.394 3.156 1.00 0.00 C ATOM 678 C ASP A 46 118.123 12.643 3.704 1.00 0.00 C ATOM 679 O ASP A 46 118.069 12.300 4.868 1.00 0.00 O ATOM 680 CB ASP A 46 120.495 12.407 2.976 1.00 0.00 C ATOM 681 CG ASP A 46 121.570 13.031 2.081 1.00 0.00 C ATOM 682 OD1 ASP A 46 121.266 14.009 1.417 1.00 0.00 O ATOM 683 OD2 ASP A 46 122.679 12.523 2.079 1.00 0.00 O ATOM 0 H ASP A 46 120.600 14.265 4.638 1.00 0.00 H new ATOM 0 HA ASP A 46 119.078 13.848 2.200 1.00 0.00 H new ATOM 0 HB2 ASP A 46 120.920 12.149 3.946 1.00 0.00 H new ATOM 0 HB3 ASP A 46 120.130 11.481 2.531 1.00 0.00 H new ATOM 688 N LEU A 47 117.157 12.364 2.872 1.00 0.00 N ATOM 689 CA LEU A 47 115.962 11.609 3.344 1.00 0.00 C ATOM 690 C LEU A 47 116.339 10.141 3.503 1.00 0.00 C ATOM 691 O LEU A 47 117.110 9.610 2.729 1.00 0.00 O ATOM 692 CB LEU A 47 114.831 11.734 2.316 1.00 0.00 C ATOM 693 CG LEU A 47 114.093 13.060 2.509 1.00 0.00 C ATOM 694 CD1 LEU A 47 113.363 13.431 1.217 1.00 0.00 C ATOM 695 CD2 LEU A 47 113.060 12.907 3.637 1.00 0.00 C ATOM 0 H LEU A 47 117.144 12.626 1.886 1.00 0.00 H new ATOM 0 HA LEU A 47 115.625 12.014 4.298 1.00 0.00 H new ATOM 0 HB2 LEU A 47 115.238 11.679 1.306 1.00 0.00 H new ATOM 0 HB3 LEU A 47 114.135 10.902 2.425 1.00 0.00 H new ATOM 0 HG LEU A 47 114.811 13.839 2.764 1.00 0.00 H new ATOM 0 HD11 LEU A 47 112.837 14.376 1.355 1.00 0.00 H new ATOM 0 HD12 LEU A 47 114.085 13.532 0.407 1.00 0.00 H new ATOM 0 HD13 LEU A 47 112.645 12.649 0.967 1.00 0.00 H new ATOM 0 HD21 LEU A 47 112.532 13.850 3.777 1.00 0.00 H new ATOM 0 HD22 LEU A 47 112.346 12.127 3.373 1.00 0.00 H new ATOM 0 HD23 LEU A 47 113.569 12.635 4.562 1.00 0.00 H new ATOM 707 N ILE A 48 115.809 9.475 4.501 1.00 0.00 N ATOM 708 CA ILE A 48 116.153 8.033 4.696 1.00 0.00 C ATOM 709 C ILE A 48 114.886 7.179 4.643 1.00 0.00 C ATOM 710 O ILE A 48 113.833 7.570 5.110 1.00 0.00 O ATOM 711 CB ILE A 48 116.830 7.858 6.058 1.00 0.00 C ATOM 712 CG1 ILE A 48 115.901 8.368 7.165 1.00 0.00 C ATOM 713 CG2 ILE A 48 118.138 8.647 6.088 1.00 0.00 C ATOM 714 CD1 ILE A 48 116.492 8.021 8.531 1.00 0.00 C ATOM 0 H ILE A 48 115.158 9.865 5.183 1.00 0.00 H new ATOM 0 HA ILE A 48 116.828 7.714 3.902 1.00 0.00 H new ATOM 0 HB ILE A 48 117.041 6.801 6.220 1.00 0.00 H new ATOM 0 HG12 ILE A 48 115.772 9.447 7.077 1.00 0.00 H new ATOM 0 HG13 ILE A 48 114.913 7.919 7.060 1.00 0.00 H new ATOM 0 HG21 ILE A 48 118.617 8.520 7.059 1.00 0.00 H new ATOM 0 HG22 ILE A 48 118.802 8.281 5.305 1.00 0.00 H new ATOM 0 HG23 ILE A 48 117.929 9.704 5.922 1.00 0.00 H new ATOM 0 HD11 ILE A 48 115.830 8.385 9.317 1.00 0.00 H new ATOM 0 HD12 ILE A 48 116.598 6.940 8.617 1.00 0.00 H new ATOM 0 HD13 ILE A 48 117.470 8.491 8.634 1.00 0.00 H new ATOM 726 N GLY A 49 114.985 6.012 4.068 1.00 0.00 N ATOM 727 CA GLY A 49 113.792 5.121 3.977 1.00 0.00 C ATOM 728 C GLY A 49 114.150 3.875 3.164 1.00 0.00 C ATOM 729 O GLY A 49 115.282 3.688 2.772 1.00 0.00 O ATOM 0 H GLY A 49 115.840 5.636 3.657 1.00 0.00 H new ATOM 0 HA2 GLY A 49 113.461 4.835 4.975 1.00 0.00 H new ATOM 0 HA3 GLY A 49 112.964 5.651 3.506 1.00 0.00 H new ATOM 733 N PHE A 50 113.196 3.021 2.902 1.00 0.00 N ATOM 734 CA PHE A 50 113.498 1.795 2.105 1.00 0.00 C ATOM 735 C PHE A 50 112.191 1.174 1.600 1.00 0.00 C ATOM 736 O PHE A 50 111.111 1.551 2.012 1.00 0.00 O ATOM 737 CB PHE A 50 114.250 0.783 2.968 1.00 0.00 C ATOM 738 CG PHE A 50 113.338 0.256 4.048 1.00 0.00 C ATOM 739 CD1 PHE A 50 113.251 0.918 5.278 1.00 0.00 C ATOM 740 CD2 PHE A 50 112.579 -0.898 3.819 1.00 0.00 C ATOM 741 CE1 PHE A 50 112.406 0.426 6.280 1.00 0.00 C ATOM 742 CE2 PHE A 50 111.735 -1.391 4.820 1.00 0.00 C ATOM 743 CZ PHE A 50 111.649 -0.730 6.050 1.00 0.00 C ATOM 0 H PHE A 50 112.226 3.118 3.203 1.00 0.00 H new ATOM 0 HA PHE A 50 114.121 2.068 1.253 1.00 0.00 H new ATOM 0 HB2 PHE A 50 114.610 -0.039 2.350 1.00 0.00 H new ATOM 0 HB3 PHE A 50 115.126 1.253 3.416 1.00 0.00 H new ATOM 0 HD1 PHE A 50 113.836 1.809 5.454 1.00 0.00 H new ATOM 0 HD2 PHE A 50 112.645 -1.408 2.869 1.00 0.00 H new ATOM 0 HE1 PHE A 50 112.338 0.937 7.229 1.00 0.00 H new ATOM 0 HE2 PHE A 50 111.150 -2.282 4.643 1.00 0.00 H new ATOM 0 HZ PHE A 50 110.998 -1.111 6.823 1.00 0.00 H new ATOM 753 N LYS A 51 112.281 0.224 0.706 1.00 0.00 N ATOM 754 CA LYS A 51 111.045 -0.416 0.172 1.00 0.00 C ATOM 755 C LYS A 51 111.313 -1.893 -0.122 1.00 0.00 C ATOM 756 O LYS A 51 112.386 -2.265 -0.558 1.00 0.00 O ATOM 757 CB LYS A 51 110.624 0.295 -1.115 1.00 0.00 C ATOM 758 CG LYS A 51 109.381 -0.382 -1.698 1.00 0.00 C ATOM 759 CD LYS A 51 108.960 0.344 -2.978 1.00 0.00 C ATOM 760 CE LYS A 51 107.724 -0.336 -3.569 1.00 0.00 C ATOM 761 NZ LYS A 51 106.580 -0.198 -2.624 1.00 0.00 N ATOM 0 H LYS A 51 113.156 -0.135 0.324 1.00 0.00 H new ATOM 0 HA LYS A 51 110.248 -0.338 0.911 1.00 0.00 H new ATOM 0 HB2 LYS A 51 110.415 1.345 -0.910 1.00 0.00 H new ATOM 0 HB3 LYS A 51 111.438 0.268 -1.839 1.00 0.00 H new ATOM 0 HG2 LYS A 51 109.591 -1.430 -1.913 1.00 0.00 H new ATOM 0 HG3 LYS A 51 108.568 -0.363 -0.972 1.00 0.00 H new ATOM 0 HD2 LYS A 51 108.743 1.390 -2.761 1.00 0.00 H new ATOM 0 HD3 LYS A 51 109.776 0.331 -3.701 1.00 0.00 H new ATOM 0 HE2 LYS A 51 107.472 0.114 -4.529 1.00 0.00 H new ATOM 0 HE3 LYS A 51 107.930 -1.390 -3.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 105.697 -0.458 -3.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 106.726 -0.826 -1.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 106.518 0.787 -2.296 1.00 0.00 H new ATOM 775 N CYS A 52 110.340 -2.738 0.102 1.00 0.00 N ATOM 776 CA CYS A 52 110.511 -4.193 -0.169 1.00 0.00 C ATOM 777 C CYS A 52 109.379 -4.649 -1.102 1.00 0.00 C ATOM 778 O CYS A 52 108.306 -4.080 -1.097 1.00 0.00 O ATOM 779 CB CYS A 52 110.424 -4.959 1.158 1.00 0.00 C ATOM 780 SG CYS A 52 111.854 -4.555 2.192 1.00 0.00 S ATOM 0 H CYS A 52 109.424 -2.476 0.466 1.00 0.00 H new ATOM 0 HA CYS A 52 111.477 -4.385 -0.636 1.00 0.00 H new ATOM 0 HB2 CYS A 52 109.502 -4.700 1.679 1.00 0.00 H new ATOM 0 HB3 CYS A 52 110.392 -6.032 0.968 1.00 0.00 H new ATOM 785 N PRO A 53 109.604 -5.668 -1.896 1.00 0.00 N ATOM 786 CA PRO A 53 108.569 -6.188 -2.839 1.00 0.00 C ATOM 787 C PRO A 53 107.236 -6.464 -2.132 1.00 0.00 C ATOM 788 O PRO A 53 107.192 -6.751 -0.953 1.00 0.00 O ATOM 789 CB PRO A 53 109.179 -7.489 -3.396 1.00 0.00 C ATOM 790 CG PRO A 53 110.387 -7.769 -2.560 1.00 0.00 C ATOM 791 CD PRO A 53 110.850 -6.432 -1.999 1.00 0.00 C ATOM 0 HA PRO A 53 108.334 -5.465 -3.620 1.00 0.00 H new ATOM 0 HB2 PRO A 53 108.465 -8.311 -3.338 1.00 0.00 H new ATOM 0 HB3 PRO A 53 109.449 -7.375 -4.446 1.00 0.00 H new ATOM 0 HG2 PRO A 53 110.148 -8.464 -1.755 1.00 0.00 H new ATOM 0 HG3 PRO A 53 111.173 -8.231 -3.158 1.00 0.00 H new ATOM 0 HD2 PRO A 53 111.334 -6.547 -1.029 1.00 0.00 H new ATOM 0 HD3 PRO A 53 111.569 -5.945 -2.658 1.00 0.00 H new ATOM 799 N SER A 54 106.150 -6.358 -2.846 1.00 0.00 N ATOM 800 CA SER A 54 104.813 -6.589 -2.227 1.00 0.00 C ATOM 801 C SER A 54 104.611 -8.075 -1.915 1.00 0.00 C ATOM 802 O SER A 54 103.673 -8.449 -1.240 1.00 0.00 O ATOM 803 CB SER A 54 103.724 -6.126 -3.195 1.00 0.00 C ATOM 804 OG SER A 54 103.633 -4.708 -3.155 1.00 0.00 O ATOM 0 H SER A 54 106.130 -6.120 -3.838 1.00 0.00 H new ATOM 0 HA SER A 54 104.755 -6.024 -1.296 1.00 0.00 H new ATOM 0 HB2 SER A 54 103.955 -6.459 -4.207 1.00 0.00 H new ATOM 0 HB3 SER A 54 102.767 -6.571 -2.924 1.00 0.00 H new ATOM 0 HG SER A 54 102.937 -4.407 -3.776 1.00 0.00 H new ATOM 810 N ASN A 55 105.468 -8.928 -2.403 1.00 0.00 N ATOM 811 CA ASN A 55 105.297 -10.384 -2.132 1.00 0.00 C ATOM 812 C ASN A 55 106.052 -10.774 -0.860 1.00 0.00 C ATOM 813 O ASN A 55 106.018 -11.909 -0.438 1.00 0.00 O ATOM 814 CB ASN A 55 105.855 -11.187 -3.310 1.00 0.00 C ATOM 815 CG ASN A 55 105.057 -10.863 -4.574 1.00 0.00 C ATOM 816 OD1 ASN A 55 103.843 -10.904 -4.569 1.00 0.00 O ATOM 817 ND2 ASN A 55 105.695 -10.538 -5.664 1.00 0.00 N ATOM 0 H ASN A 55 106.276 -8.682 -2.975 1.00 0.00 H new ATOM 0 HA ASN A 55 104.236 -10.599 -2.001 1.00 0.00 H new ATOM 0 HB2 ASN A 55 106.908 -10.947 -3.461 1.00 0.00 H new ATOM 0 HB3 ASN A 55 105.798 -12.254 -3.095 1.00 0.00 H new ATOM 0 HD21 ASN A 55 105.175 -10.318 -6.513 1.00 0.00 H new ATOM 0 HD22 ASN A 55 106.714 -10.504 -5.667 1.00 0.00 H new ATOM 824 N TYR A 56 106.730 -9.845 -0.244 1.00 0.00 N ATOM 825 CA TYR A 56 107.490 -10.163 1.004 1.00 0.00 C ATOM 826 C TYR A 56 106.817 -9.514 2.216 1.00 0.00 C ATOM 827 O TYR A 56 105.999 -8.624 2.083 1.00 0.00 O ATOM 828 CB TYR A 56 108.921 -9.654 0.866 1.00 0.00 C ATOM 829 CG TYR A 56 109.730 -10.642 0.056 1.00 0.00 C ATOM 830 CD1 TYR A 56 109.472 -10.810 -1.311 1.00 0.00 C ATOM 831 CD2 TYR A 56 110.746 -11.383 0.671 1.00 0.00 C ATOM 832 CE1 TYR A 56 110.228 -11.719 -2.060 1.00 0.00 C ATOM 833 CE2 TYR A 56 111.502 -12.292 -0.078 1.00 0.00 C ATOM 834 CZ TYR A 56 111.243 -12.461 -1.444 1.00 0.00 C ATOM 835 OH TYR A 56 111.988 -13.356 -2.183 1.00 0.00 O ATOM 0 H TYR A 56 106.792 -8.874 -0.551 1.00 0.00 H new ATOM 0 HA TYR A 56 107.501 -11.243 1.152 1.00 0.00 H new ATOM 0 HB2 TYR A 56 108.926 -8.678 0.380 1.00 0.00 H new ATOM 0 HB3 TYR A 56 109.368 -9.522 1.851 1.00 0.00 H new ATOM 0 HD1 TYR A 56 108.689 -10.238 -1.787 1.00 0.00 H new ATOM 0 HD2 TYR A 56 110.947 -11.253 1.724 1.00 0.00 H new ATOM 0 HE1 TYR A 56 110.028 -11.848 -3.114 1.00 0.00 H new ATOM 0 HE2 TYR A 56 112.285 -12.863 0.398 1.00 0.00 H new ATOM 0 HH TYR A 56 111.843 -14.263 -1.842 1.00 0.00 H new ATOM 845 N SER A 57 107.163 -9.951 3.402 1.00 0.00 N ATOM 846 CA SER A 57 106.550 -9.353 4.625 1.00 0.00 C ATOM 847 C SER A 57 107.553 -8.394 5.268 1.00 0.00 C ATOM 848 O SER A 57 108.748 -8.614 5.224 1.00 0.00 O ATOM 849 CB SER A 57 106.198 -10.463 5.612 1.00 0.00 C ATOM 850 OG SER A 57 105.012 -11.116 5.179 1.00 0.00 O ATOM 0 H SER A 57 107.841 -10.693 3.574 1.00 0.00 H new ATOM 0 HA SER A 57 105.644 -8.810 4.356 1.00 0.00 H new ATOM 0 HB2 SER A 57 107.017 -11.179 5.680 1.00 0.00 H new ATOM 0 HB3 SER A 57 106.055 -10.047 6.609 1.00 0.00 H new ATOM 0 HG SER A 57 104.783 -11.831 5.809 1.00 0.00 H new ATOM 856 N VAL A 58 107.086 -7.328 5.865 1.00 0.00 N ATOM 857 CA VAL A 58 108.033 -6.362 6.498 1.00 0.00 C ATOM 858 C VAL A 58 108.073 -6.581 8.014 1.00 0.00 C ATOM 859 O VAL A 58 107.068 -6.520 8.696 1.00 0.00 O ATOM 860 CB VAL A 58 107.583 -4.929 6.193 1.00 0.00 C ATOM 861 CG1 VAL A 58 107.154 -4.828 4.729 1.00 0.00 C ATOM 862 CG2 VAL A 58 106.406 -4.549 7.097 1.00 0.00 C ATOM 0 H VAL A 58 106.098 -7.086 5.941 1.00 0.00 H new ATOM 0 HA VAL A 58 109.032 -6.523 6.092 1.00 0.00 H new ATOM 0 HB VAL A 58 108.413 -4.247 6.378 1.00 0.00 H new ATOM 0 HG11 VAL A 58 106.834 -3.809 4.513 1.00 0.00 H new ATOM 0 HG12 VAL A 58 107.994 -5.089 4.085 1.00 0.00 H new ATOM 0 HG13 VAL A 58 106.328 -5.514 4.544 1.00 0.00 H new ATOM 0 HG21 VAL A 58 106.091 -3.529 6.875 1.00 0.00 H new ATOM 0 HG22 VAL A 58 105.575 -5.232 6.919 1.00 0.00 H new ATOM 0 HG23 VAL A 58 106.713 -4.615 8.141 1.00 0.00 H new ATOM 872 N GLU A 59 109.245 -6.812 8.540 1.00 0.00 N ATOM 873 CA GLU A 59 109.399 -7.017 10.007 1.00 0.00 C ATOM 874 C GLU A 59 110.536 -6.113 10.496 1.00 0.00 C ATOM 875 O GLU A 59 111.621 -6.142 9.949 1.00 0.00 O ATOM 876 CB GLU A 59 109.766 -8.476 10.293 1.00 0.00 C ATOM 877 CG GLU A 59 108.505 -9.344 10.284 1.00 0.00 C ATOM 878 CD GLU A 59 108.864 -10.768 9.849 1.00 0.00 C ATOM 879 OE1 GLU A 59 109.698 -11.373 10.502 1.00 0.00 O ATOM 880 OE2 GLU A 59 108.302 -11.227 8.868 1.00 0.00 O ATOM 0 H GLU A 59 110.113 -6.868 8.008 1.00 0.00 H new ATOM 0 HA GLU A 59 108.466 -6.778 10.516 1.00 0.00 H new ATOM 0 HB2 GLU A 59 110.471 -8.836 9.543 1.00 0.00 H new ATOM 0 HB3 GLU A 59 110.263 -8.552 11.260 1.00 0.00 H new ATOM 0 HG2 GLU A 59 108.055 -9.359 11.276 1.00 0.00 H new ATOM 0 HG3 GLU A 59 107.765 -8.921 9.604 1.00 0.00 H new ATOM 887 N PRO A 60 110.309 -5.306 11.501 1.00 0.00 N ATOM 888 CA PRO A 60 111.359 -4.393 12.020 1.00 0.00 C ATOM 889 C PRO A 60 112.371 -5.122 12.904 1.00 0.00 C ATOM 890 O PRO A 60 112.047 -5.576 13.979 1.00 0.00 O ATOM 891 CB PRO A 60 110.567 -3.383 12.850 1.00 0.00 C ATOM 892 CG PRO A 60 109.372 -4.135 13.330 1.00 0.00 C ATOM 893 CD PRO A 60 109.049 -5.167 12.252 1.00 0.00 C ATOM 0 HA PRO A 60 111.945 -3.945 11.217 1.00 0.00 H new ATOM 0 HB2 PRO A 60 111.159 -3.007 13.685 1.00 0.00 H new ATOM 0 HB3 PRO A 60 110.277 -2.520 12.251 1.00 0.00 H new ATOM 0 HG2 PRO A 60 109.577 -4.621 14.284 1.00 0.00 H new ATOM 0 HG3 PRO A 60 108.529 -3.463 13.489 1.00 0.00 H new ATOM 0 HD2 PRO A 60 108.738 -6.116 12.689 1.00 0.00 H new ATOM 0 HD3 PRO A 60 108.236 -4.831 11.609 1.00 0.00 H new ATOM 901 N HIS A 61 113.596 -5.212 12.469 1.00 0.00 N ATOM 902 CA HIS A 61 114.633 -5.885 13.300 1.00 0.00 C ATOM 903 C HIS A 61 115.347 -4.815 14.125 1.00 0.00 C ATOM 904 O HIS A 61 115.871 -5.073 15.189 1.00 0.00 O ATOM 905 CB HIS A 61 115.634 -6.608 12.401 1.00 0.00 C ATOM 906 CG HIS A 61 116.360 -7.653 13.202 1.00 0.00 C ATOM 907 ND1 HIS A 61 117.116 -7.335 14.322 1.00 0.00 N ATOM 908 CD2 HIS A 61 116.456 -9.016 13.061 1.00 0.00 C ATOM 909 CE1 HIS A 61 117.629 -8.481 14.806 1.00 0.00 C ATOM 910 NE2 HIS A 61 117.256 -9.532 14.073 1.00 0.00 N ATOM 0 H HIS A 61 113.924 -4.849 11.574 1.00 0.00 H new ATOM 0 HA HIS A 61 114.171 -6.621 13.958 1.00 0.00 H new ATOM 0 HB2 HIS A 61 115.117 -7.072 11.561 1.00 0.00 H new ATOM 0 HB3 HIS A 61 116.345 -5.895 11.983 1.00 0.00 H new ATOM 0 HD1 HIS A 61 117.257 -6.402 14.708 1.00 0.00 H new ATOM 0 HD2 HIS A 61 115.983 -9.597 12.283 1.00 0.00 H new ATOM 0 HE1 HIS A 61 118.263 -8.543 15.678 1.00 0.00 H new ATOM 919 N ASP A 62 115.359 -3.610 13.629 1.00 0.00 N ATOM 920 CA ASP A 62 116.019 -2.490 14.354 1.00 0.00 C ATOM 921 C ASP A 62 115.615 -1.176 13.680 1.00 0.00 C ATOM 922 O ASP A 62 116.408 -0.271 13.534 1.00 0.00 O ATOM 923 CB ASP A 62 117.539 -2.660 14.294 1.00 0.00 C ATOM 924 CG ASP A 62 118.208 -1.559 15.119 1.00 0.00 C ATOM 925 OD1 ASP A 62 117.501 -0.679 15.582 1.00 0.00 O ATOM 926 OD2 ASP A 62 119.418 -1.613 15.273 1.00 0.00 O ATOM 0 H ASP A 62 114.933 -3.350 12.739 1.00 0.00 H new ATOM 0 HA ASP A 62 115.710 -2.484 15.399 1.00 0.00 H new ATOM 0 HB2 ASP A 62 117.822 -3.640 14.679 1.00 0.00 H new ATOM 0 HB3 ASP A 62 117.880 -2.613 13.260 1.00 0.00 H new ATOM 931 N CYS A 63 114.381 -1.079 13.257 1.00 0.00 N ATOM 932 CA CYS A 63 113.908 0.161 12.576 1.00 0.00 C ATOM 933 C CYS A 63 113.993 1.348 13.540 1.00 0.00 C ATOM 934 O CYS A 63 114.786 1.345 14.459 1.00 0.00 O ATOM 935 CB CYS A 63 112.464 -0.037 12.109 1.00 0.00 C ATOM 936 SG CYS A 63 112.413 -1.350 10.862 1.00 0.00 S ATOM 0 H CYS A 63 113.677 -1.811 13.355 1.00 0.00 H new ATOM 0 HA CYS A 63 114.540 0.366 11.712 1.00 0.00 H new ATOM 0 HB2 CYS A 63 111.829 -0.298 12.955 1.00 0.00 H new ATOM 0 HB3 CYS A 63 112.074 0.892 11.692 1.00 0.00 H new ATOM 941 N PHE A 64 113.200 2.372 13.330 1.00 0.00 N ATOM 942 CA PHE A 64 113.266 3.564 14.233 1.00 0.00 C ATOM 943 C PHE A 64 112.033 3.646 15.148 1.00 0.00 C ATOM 944 O PHE A 64 112.160 3.724 16.360 1.00 0.00 O ATOM 945 CB PHE A 64 113.380 4.839 13.392 1.00 0.00 C ATOM 946 CG PHE A 64 112.465 4.755 12.198 1.00 0.00 C ATOM 947 CD1 PHE A 64 112.871 4.059 11.051 1.00 0.00 C ATOM 948 CD2 PHE A 64 111.213 5.377 12.232 1.00 0.00 C ATOM 949 CE1 PHE A 64 112.023 3.987 9.941 1.00 0.00 C ATOM 950 CE2 PHE A 64 110.366 5.305 11.122 1.00 0.00 C ATOM 951 CZ PHE A 64 110.770 4.611 9.976 1.00 0.00 C ATOM 0 H PHE A 64 112.514 2.434 12.577 1.00 0.00 H new ATOM 0 HA PHE A 64 114.146 3.462 14.868 1.00 0.00 H new ATOM 0 HB2 PHE A 64 113.122 5.708 13.998 1.00 0.00 H new ATOM 0 HB3 PHE A 64 114.410 4.975 13.062 1.00 0.00 H new ATOM 0 HD1 PHE A 64 113.838 3.579 11.024 1.00 0.00 H new ATOM 0 HD2 PHE A 64 110.900 5.913 13.116 1.00 0.00 H new ATOM 0 HE1 PHE A 64 112.335 3.450 9.057 1.00 0.00 H new ATOM 0 HE2 PHE A 64 109.399 5.785 11.149 1.00 0.00 H new ATOM 0 HZ PHE A 64 110.115 4.557 9.119 1.00 0.00 H new ATOM 961 N VAL A 65 110.843 3.636 14.600 1.00 0.00 N ATOM 962 CA VAL A 65 109.636 3.726 15.480 1.00 0.00 C ATOM 963 C VAL A 65 109.774 2.702 16.610 1.00 0.00 C ATOM 964 O VAL A 65 110.013 3.047 17.751 1.00 0.00 O ATOM 965 CB VAL A 65 108.366 3.429 14.676 1.00 0.00 C ATOM 966 CG1 VAL A 65 107.206 3.154 15.638 1.00 0.00 C ATOM 967 CG2 VAL A 65 108.018 4.637 13.802 1.00 0.00 C ATOM 0 H VAL A 65 110.656 3.571 13.599 1.00 0.00 H new ATOM 0 HA VAL A 65 109.562 4.734 15.889 1.00 0.00 H new ATOM 0 HB VAL A 65 108.535 2.557 14.044 1.00 0.00 H new ATOM 0 HG11 VAL A 65 106.302 2.943 15.067 1.00 0.00 H new ATOM 0 HG12 VAL A 65 107.449 2.296 16.264 1.00 0.00 H new ATOM 0 HG13 VAL A 65 107.041 4.028 16.268 1.00 0.00 H new ATOM 0 HG21 VAL A 65 107.114 4.424 13.231 1.00 0.00 H new ATOM 0 HG22 VAL A 65 107.850 5.508 14.435 1.00 0.00 H new ATOM 0 HG23 VAL A 65 108.841 4.840 13.117 1.00 0.00 H new ATOM 977 N SER A 66 109.642 1.445 16.294 1.00 0.00 N ATOM 978 CA SER A 66 109.785 0.386 17.333 1.00 0.00 C ATOM 979 C SER A 66 110.499 -0.808 16.700 1.00 0.00 C ATOM 980 O SER A 66 110.147 -1.244 15.622 1.00 0.00 O ATOM 981 CB SER A 66 108.403 -0.041 17.833 1.00 0.00 C ATOM 982 OG SER A 66 108.555 -1.043 18.830 1.00 0.00 O ATOM 0 H SER A 66 109.440 1.102 15.355 1.00 0.00 H new ATOM 0 HA SER A 66 110.359 0.763 18.179 1.00 0.00 H new ATOM 0 HB2 SER A 66 107.870 0.817 18.242 1.00 0.00 H new ATOM 0 HB3 SER A 66 107.806 -0.423 17.005 1.00 0.00 H new ATOM 0 HG SER A 66 107.672 -1.318 19.154 1.00 0.00 H new ATOM 988 N ALA A 67 111.510 -1.331 17.340 1.00 0.00 N ATOM 989 CA ALA A 67 112.236 -2.481 16.731 1.00 0.00 C ATOM 990 C ALA A 67 113.191 -3.108 17.750 1.00 0.00 C ATOM 991 O ALA A 67 113.278 -2.689 18.885 1.00 0.00 O ATOM 992 CB ALA A 67 113.039 -1.979 15.532 1.00 0.00 C ATOM 0 H ALA A 67 111.860 -1.017 18.245 1.00 0.00 H new ATOM 0 HA ALA A 67 111.514 -3.234 16.415 1.00 0.00 H new ATOM 0 HB1 ALA A 67 113.575 -2.813 15.078 1.00 0.00 H new ATOM 0 HB2 ALA A 67 112.362 -1.540 14.799 1.00 0.00 H new ATOM 0 HB3 ALA A 67 113.754 -1.225 15.863 1.00 0.00 H new ATOM 998 N PHE A 68 113.899 -4.125 17.342 1.00 0.00 N ATOM 999 CA PHE A 68 114.847 -4.802 18.272 1.00 0.00 C ATOM 1000 C PHE A 68 116.242 -4.199 18.076 1.00 0.00 C ATOM 1001 O PHE A 68 116.620 -3.838 16.981 1.00 0.00 O ATOM 1002 CB PHE A 68 114.896 -6.301 17.955 1.00 0.00 C ATOM 1003 CG PHE A 68 113.493 -6.840 17.782 1.00 0.00 C ATOM 1004 CD1 PHE A 68 112.761 -6.515 16.634 1.00 0.00 C ATOM 1005 CD2 PHE A 68 112.929 -7.672 18.756 1.00 0.00 C ATOM 1006 CE1 PHE A 68 111.468 -7.019 16.457 1.00 0.00 C ATOM 1007 CE2 PHE A 68 111.633 -8.176 18.580 1.00 0.00 C ATOM 1008 CZ PHE A 68 110.903 -7.848 17.427 1.00 0.00 C ATOM 0 H PHE A 68 113.862 -4.518 16.401 1.00 0.00 H new ATOM 0 HA PHE A 68 114.518 -4.662 19.302 1.00 0.00 H new ATOM 0 HB2 PHE A 68 115.474 -6.470 17.046 1.00 0.00 H new ATOM 0 HB3 PHE A 68 115.403 -6.835 18.759 1.00 0.00 H new ATOM 0 HD1 PHE A 68 113.196 -5.873 15.882 1.00 0.00 H new ATOM 0 HD2 PHE A 68 113.492 -7.925 19.642 1.00 0.00 H new ATOM 0 HE1 PHE A 68 110.907 -6.766 15.569 1.00 0.00 H new ATOM 0 HE2 PHE A 68 111.196 -8.817 19.332 1.00 0.00 H new ATOM 0 HZ PHE A 68 109.905 -8.237 17.291 1.00 0.00 H new ATOM 1018 N ASN A 69 117.012 -4.085 19.122 1.00 0.00 N ATOM 1019 CA ASN A 69 118.376 -3.498 18.976 1.00 0.00 C ATOM 1020 C ASN A 69 119.371 -4.595 18.589 1.00 0.00 C ATOM 1021 O ASN A 69 119.000 -5.718 18.319 1.00 0.00 O ATOM 1022 CB ASN A 69 118.805 -2.866 20.300 1.00 0.00 C ATOM 1023 CG ASN A 69 118.003 -1.586 20.536 1.00 0.00 C ATOM 1024 OD1 ASN A 69 117.418 -1.044 19.620 1.00 0.00 O ATOM 1025 ND2 ASN A 69 117.953 -1.075 21.735 1.00 0.00 N ATOM 0 H ASN A 69 116.759 -4.371 20.068 1.00 0.00 H new ATOM 0 HA ASN A 69 118.358 -2.735 18.197 1.00 0.00 H new ATOM 0 HB2 ASN A 69 118.642 -3.566 21.119 1.00 0.00 H new ATOM 0 HB3 ASN A 69 119.871 -2.641 20.280 1.00 0.00 H new ATOM 0 HD21 ASN A 69 117.423 -0.220 21.903 1.00 0.00 H new ATOM 0 HD22 ASN A 69 118.444 -1.530 22.504 1.00 0.00 H new ATOM 1032 N LEU A 70 120.635 -4.274 18.561 1.00 0.00 N ATOM 1033 CA LEU A 70 121.656 -5.294 18.192 1.00 0.00 C ATOM 1034 C LEU A 70 121.667 -6.398 19.249 1.00 0.00 C ATOM 1035 O LEU A 70 122.194 -7.472 19.035 1.00 0.00 O ATOM 1036 CB LEU A 70 123.038 -4.634 18.121 1.00 0.00 C ATOM 1037 CG LEU A 70 123.082 -3.659 16.940 1.00 0.00 C ATOM 1038 CD1 LEU A 70 124.316 -2.762 17.063 1.00 0.00 C ATOM 1039 CD2 LEU A 70 123.158 -4.441 15.624 1.00 0.00 C ATOM 0 H LEU A 70 121.005 -3.349 18.778 1.00 0.00 H new ATOM 0 HA LEU A 70 121.413 -5.722 17.219 1.00 0.00 H new ATOM 0 HB2 LEU A 70 123.248 -4.105 19.051 1.00 0.00 H new ATOM 0 HB3 LEU A 70 123.810 -5.395 18.006 1.00 0.00 H new ATOM 0 HG LEU A 70 122.180 -3.048 16.948 1.00 0.00 H new ATOM 0 HD11 LEU A 70 124.347 -2.069 16.223 1.00 0.00 H new ATOM 0 HD12 LEU A 70 124.266 -2.200 17.996 1.00 0.00 H new ATOM 0 HD13 LEU A 70 125.215 -3.378 17.059 1.00 0.00 H new ATOM 0 HD21 LEU A 70 123.189 -3.743 14.787 1.00 0.00 H new ATOM 0 HD22 LEU A 70 124.058 -5.056 15.617 1.00 0.00 H new ATOM 0 HD23 LEU A 70 122.281 -5.081 15.530 1.00 0.00 H new ATOM 1051 N SER A 71 121.075 -6.146 20.385 1.00 0.00 N ATOM 1052 CA SER A 71 121.033 -7.182 21.452 1.00 0.00 C ATOM 1053 C SER A 71 119.816 -8.078 21.226 1.00 0.00 C ATOM 1054 O SER A 71 119.624 -9.070 21.900 1.00 0.00 O ATOM 1055 CB SER A 71 120.918 -6.503 22.818 1.00 0.00 C ATOM 1056 OG SER A 71 121.843 -5.426 22.885 1.00 0.00 O ATOM 0 H SER A 71 120.618 -5.265 20.619 1.00 0.00 H new ATOM 0 HA SER A 71 121.944 -7.780 21.422 1.00 0.00 H new ATOM 0 HB2 SER A 71 119.903 -6.136 22.971 1.00 0.00 H new ATOM 0 HB3 SER A 71 121.120 -7.221 23.612 1.00 0.00 H new ATOM 0 HG SER A 71 121.771 -4.987 23.758 1.00 0.00 H new ATOM 1062 N GLY A 72 118.988 -7.729 20.276 1.00 0.00 N ATOM 1063 CA GLY A 72 117.778 -8.549 19.996 1.00 0.00 C ATOM 1064 C GLY A 72 116.694 -8.223 21.025 1.00 0.00 C ATOM 1065 O GLY A 72 115.779 -8.992 21.238 1.00 0.00 O ATOM 0 H GLY A 72 119.100 -6.908 19.681 1.00 0.00 H new ATOM 0 HA2 GLY A 72 117.412 -8.346 18.989 1.00 0.00 H new ATOM 0 HA3 GLY A 72 118.026 -9.610 20.037 1.00 0.00 H new ATOM 1069 N LYS A 73 116.788 -7.087 21.663 1.00 0.00 N ATOM 1070 CA LYS A 73 115.762 -6.706 22.678 1.00 0.00 C ATOM 1071 C LYS A 73 114.882 -5.589 22.110 1.00 0.00 C ATOM 1072 O LYS A 73 115.352 -4.715 21.412 1.00 0.00 O ATOM 1073 CB LYS A 73 116.465 -6.213 23.947 1.00 0.00 C ATOM 1074 CG LYS A 73 117.297 -7.351 24.550 1.00 0.00 C ATOM 1075 CD LYS A 73 116.418 -8.201 25.472 1.00 0.00 C ATOM 1076 CE LYS A 73 116.408 -7.590 26.876 1.00 0.00 C ATOM 1077 NZ LYS A 73 115.410 -8.305 27.721 1.00 0.00 N ATOM 0 H LYS A 73 117.533 -6.404 21.525 1.00 0.00 H new ATOM 0 HA LYS A 73 115.142 -7.569 22.920 1.00 0.00 H new ATOM 0 HB2 LYS A 73 117.107 -5.364 23.712 1.00 0.00 H new ATOM 0 HB3 LYS A 73 115.728 -5.865 24.671 1.00 0.00 H new ATOM 0 HG2 LYS A 73 117.713 -7.971 23.756 1.00 0.00 H new ATOM 0 HG3 LYS A 73 118.139 -6.942 25.109 1.00 0.00 H new ATOM 0 HD2 LYS A 73 115.403 -8.251 25.079 1.00 0.00 H new ATOM 0 HD3 LYS A 73 116.796 -9.223 25.511 1.00 0.00 H new ATOM 0 HE2 LYS A 73 117.399 -7.664 27.324 1.00 0.00 H new ATOM 0 HE3 LYS A 73 116.161 -6.530 26.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 115.402 -7.891 28.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 114.465 -8.213 27.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 115.665 -9.311 27.783 1.00 0.00 H new ATOM 1091 N ASN A 74 113.608 -5.613 22.399 1.00 0.00 N ATOM 1092 CA ASN A 74 112.700 -4.553 21.865 1.00 0.00 C ATOM 1093 C ASN A 74 113.065 -3.197 22.477 1.00 0.00 C ATOM 1094 O ASN A 74 113.230 -3.068 23.674 1.00 0.00 O ATOM 1095 CB ASN A 74 111.250 -4.900 22.211 1.00 0.00 C ATOM 1096 CG ASN A 74 110.310 -4.134 21.280 1.00 0.00 C ATOM 1097 OD1 ASN A 74 110.640 -3.882 20.138 1.00 0.00 O ATOM 1098 ND2 ASN A 74 109.142 -3.751 21.720 1.00 0.00 N ATOM 0 H ASN A 74 113.156 -6.319 22.981 1.00 0.00 H new ATOM 0 HA ASN A 74 112.812 -4.497 20.782 1.00 0.00 H new ATOM 0 HB2 ASN A 74 111.087 -5.973 22.109 1.00 0.00 H new ATOM 0 HB3 ASN A 74 111.041 -4.643 23.249 1.00 0.00 H new ATOM 0 HD21 ASN A 74 108.508 -3.241 21.105 1.00 0.00 H new ATOM 0 HD22 ASN A 74 108.864 -3.962 22.678 1.00 0.00 H new ATOM 1105 N GLU A 75 113.196 -2.184 21.658 1.00 0.00 N ATOM 1106 CA GLU A 75 113.556 -0.835 22.185 1.00 0.00 C ATOM 1107 C GLU A 75 112.993 0.244 21.251 1.00 0.00 C ATOM 1108 O GLU A 75 112.637 -0.023 20.119 1.00 0.00 O ATOM 1109 CB GLU A 75 115.081 -0.708 22.252 1.00 0.00 C ATOM 1110 CG GLU A 75 115.463 0.450 23.178 1.00 0.00 C ATOM 1111 CD GLU A 75 115.101 0.090 24.620 1.00 0.00 C ATOM 1112 OE1 GLU A 75 114.716 -1.046 24.848 1.00 0.00 O ATOM 1113 OE2 GLU A 75 115.213 0.955 25.472 1.00 0.00 O ATOM 0 H GLU A 75 113.069 -2.234 20.647 1.00 0.00 H new ATOM 0 HA GLU A 75 113.135 -0.707 23.182 1.00 0.00 H new ATOM 0 HB2 GLU A 75 115.517 -1.638 22.618 1.00 0.00 H new ATOM 0 HB3 GLU A 75 115.485 -0.537 21.254 1.00 0.00 H new ATOM 0 HG2 GLU A 75 116.531 0.655 23.100 1.00 0.00 H new ATOM 0 HG3 GLU A 75 114.941 1.358 22.877 1.00 0.00 H new ATOM 1120 N ASN A 76 112.916 1.465 21.715 1.00 0.00 N ATOM 1121 CA ASN A 76 112.385 2.568 20.858 1.00 0.00 C ATOM 1122 C ASN A 76 113.539 3.477 20.418 1.00 0.00 C ATOM 1123 O ASN A 76 114.420 3.795 21.194 1.00 0.00 O ATOM 1124 CB ASN A 76 111.359 3.380 21.653 1.00 0.00 C ATOM 1125 CG ASN A 76 110.447 4.139 20.687 1.00 0.00 C ATOM 1126 OD1 ASN A 76 110.896 4.640 19.675 1.00 0.00 O ATOM 1127 ND2 ASN A 76 109.173 4.245 20.957 1.00 0.00 N ATOM 0 H ASN A 76 113.199 1.747 22.654 1.00 0.00 H new ATOM 0 HA ASN A 76 111.905 2.146 19.975 1.00 0.00 H new ATOM 0 HB2 ASN A 76 110.766 2.718 22.285 1.00 0.00 H new ATOM 0 HB3 ASN A 76 111.868 4.080 22.315 1.00 0.00 H new ATOM 0 HD21 ASN A 76 108.557 4.748 20.319 1.00 0.00 H new ATOM 0 HD22 ASN A 76 108.795 3.825 21.806 1.00 0.00 H new ATOM 1134 N LEU A 77 113.548 3.894 19.176 1.00 0.00 N ATOM 1135 CA LEU A 77 114.649 4.778 18.693 1.00 0.00 C ATOM 1136 C LEU A 77 114.292 6.247 18.953 1.00 0.00 C ATOM 1137 O LEU A 77 115.105 7.132 18.781 1.00 0.00 O ATOM 1138 CB LEU A 77 114.839 4.558 17.190 1.00 0.00 C ATOM 1139 CG LEU A 77 116.178 5.152 16.729 1.00 0.00 C ATOM 1140 CD1 LEU A 77 117.321 4.188 17.066 1.00 0.00 C ATOM 1141 CD2 LEU A 77 116.142 5.387 15.218 1.00 0.00 C ATOM 0 H LEU A 77 112.841 3.660 18.478 1.00 0.00 H new ATOM 0 HA LEU A 77 115.570 4.537 19.224 1.00 0.00 H new ATOM 0 HB2 LEU A 77 114.810 3.492 16.965 1.00 0.00 H new ATOM 0 HB3 LEU A 77 114.019 5.022 16.641 1.00 0.00 H new ATOM 0 HG LEU A 77 116.343 6.099 17.243 1.00 0.00 H new ATOM 0 HD11 LEU A 77 118.267 4.616 16.736 1.00 0.00 H new ATOM 0 HD12 LEU A 77 117.353 4.024 18.143 1.00 0.00 H new ATOM 0 HD13 LEU A 77 117.157 3.237 16.559 1.00 0.00 H new ATOM 0 HD21 LEU A 77 117.093 5.809 14.893 1.00 0.00 H new ATOM 0 HD22 LEU A 77 115.971 4.440 14.706 1.00 0.00 H new ATOM 0 HD23 LEU A 77 115.336 6.080 14.977 1.00 0.00 H new ATOM 1153 N GLU A 78 113.082 6.519 19.360 1.00 0.00 N ATOM 1154 CA GLU A 78 112.692 7.937 19.615 1.00 0.00 C ATOM 1155 C GLU A 78 113.595 8.529 20.701 1.00 0.00 C ATOM 1156 O GLU A 78 114.111 9.620 20.562 1.00 0.00 O ATOM 1157 CB GLU A 78 111.228 7.991 20.070 1.00 0.00 C ATOM 1158 CG GLU A 78 111.026 7.091 21.297 1.00 0.00 C ATOM 1159 CD GLU A 78 111.144 7.929 22.573 1.00 0.00 C ATOM 1160 OE1 GLU A 78 111.869 8.909 22.549 1.00 0.00 O ATOM 1161 OE2 GLU A 78 110.500 7.580 23.549 1.00 0.00 O ATOM 0 H GLU A 78 112.351 5.827 19.526 1.00 0.00 H new ATOM 0 HA GLU A 78 112.805 8.517 18.699 1.00 0.00 H new ATOM 0 HB2 GLU A 78 110.951 9.017 20.312 1.00 0.00 H new ATOM 0 HB3 GLU A 78 110.575 7.667 19.260 1.00 0.00 H new ATOM 0 HG2 GLU A 78 110.047 6.613 21.253 1.00 0.00 H new ATOM 0 HG3 GLU A 78 111.770 6.294 21.303 1.00 0.00 H new ATOM 1168 N ASN A 79 113.809 7.814 21.772 1.00 0.00 N ATOM 1169 CA ASN A 79 114.699 8.341 22.846 1.00 0.00 C ATOM 1170 C ASN A 79 116.117 8.493 22.287 1.00 0.00 C ATOM 1171 O ASN A 79 116.841 9.404 22.636 1.00 0.00 O ATOM 1172 CB ASN A 79 114.712 7.365 24.026 1.00 0.00 C ATOM 1173 CG ASN A 79 115.029 5.958 23.519 1.00 0.00 C ATOM 1174 OD1 ASN A 79 115.382 5.778 22.371 1.00 0.00 O ATOM 1175 ND2 ASN A 79 114.915 4.943 24.332 1.00 0.00 N ATOM 0 H ASN A 79 113.409 6.893 21.949 1.00 0.00 H new ATOM 0 HA ASN A 79 114.333 9.309 23.188 1.00 0.00 H new ATOM 0 HB2 ASN A 79 115.456 7.675 24.760 1.00 0.00 H new ATOM 0 HB3 ASN A 79 113.745 7.373 24.529 1.00 0.00 H new ATOM 0 HD21 ASN A 79 115.122 4.000 24.003 1.00 0.00 H new ATOM 0 HD22 ASN A 79 114.619 5.093 25.296 1.00 0.00 H new ATOM 1182 N LYS A 80 116.515 7.609 21.410 1.00 0.00 N ATOM 1183 CA LYS A 80 117.879 7.705 20.815 1.00 0.00 C ATOM 1184 C LYS A 80 117.935 8.920 19.881 1.00 0.00 C ATOM 1185 O LYS A 80 118.812 9.755 19.981 1.00 0.00 O ATOM 1186 CB LYS A 80 118.171 6.431 20.016 1.00 0.00 C ATOM 1187 CG LYS A 80 119.609 6.462 19.485 1.00 0.00 C ATOM 1188 CD LYS A 80 120.563 5.917 20.552 1.00 0.00 C ATOM 1189 CE LYS A 80 120.643 4.394 20.436 1.00 0.00 C ATOM 1190 NZ LYS A 80 121.656 3.875 21.398 1.00 0.00 N ATOM 0 H LYS A 80 115.953 6.824 21.080 1.00 0.00 H new ATOM 0 HA LYS A 80 118.622 7.817 21.605 1.00 0.00 H new ATOM 0 HB2 LYS A 80 118.027 5.555 20.648 1.00 0.00 H new ATOM 0 HB3 LYS A 80 117.470 6.344 19.186 1.00 0.00 H new ATOM 0 HG2 LYS A 80 119.685 5.865 18.576 1.00 0.00 H new ATOM 0 HG3 LYS A 80 119.888 7.482 19.220 1.00 0.00 H new ATOM 0 HD2 LYS A 80 121.554 6.354 20.427 1.00 0.00 H new ATOM 0 HD3 LYS A 80 120.214 6.199 21.545 1.00 0.00 H new ATOM 0 HE2 LYS A 80 119.669 3.951 20.643 1.00 0.00 H new ATOM 0 HE3 LYS A 80 120.913 4.110 19.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 121.711 2.839 21.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 122.585 4.288 21.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 121.380 4.135 22.367 1.00 0.00 H new ATOM 1204 N LEU A 81 117.001 9.018 18.973 1.00 0.00 N ATOM 1205 CA LEU A 81 116.991 10.171 18.029 1.00 0.00 C ATOM 1206 C LEU A 81 115.550 10.447 17.597 1.00 0.00 C ATOM 1207 O LEU A 81 114.884 9.589 17.051 1.00 0.00 O ATOM 1208 CB LEU A 81 117.838 9.829 16.801 1.00 0.00 C ATOM 1209 CG LEU A 81 118.120 11.099 15.992 1.00 0.00 C ATOM 1210 CD1 LEU A 81 119.001 12.051 16.815 1.00 0.00 C ATOM 1211 CD2 LEU A 81 118.849 10.721 14.700 1.00 0.00 C ATOM 0 H LEU A 81 116.243 8.347 18.845 1.00 0.00 H new ATOM 0 HA LEU A 81 117.404 11.054 18.517 1.00 0.00 H new ATOM 0 HB2 LEU A 81 118.776 9.370 17.112 1.00 0.00 H new ATOM 0 HB3 LEU A 81 117.317 9.100 16.180 1.00 0.00 H new ATOM 0 HG LEU A 81 117.179 11.595 15.753 1.00 0.00 H new ATOM 0 HD11 LEU A 81 119.200 12.954 16.237 1.00 0.00 H new ATOM 0 HD12 LEU A 81 118.486 12.317 17.738 1.00 0.00 H new ATOM 0 HD13 LEU A 81 119.943 11.559 17.055 1.00 0.00 H new ATOM 0 HD21 LEU A 81 119.052 11.621 14.120 1.00 0.00 H new ATOM 0 HD22 LEU A 81 119.789 10.227 14.944 1.00 0.00 H new ATOM 0 HD23 LEU A 81 118.225 10.046 14.115 1.00 0.00 H new ATOM 1223 N LYS A 82 115.056 11.630 17.837 1.00 0.00 N ATOM 1224 CA LYS A 82 113.656 11.938 17.436 1.00 0.00 C ATOM 1225 C LYS A 82 113.603 12.217 15.932 1.00 0.00 C ATOM 1226 O LYS A 82 114.144 13.193 15.453 1.00 0.00 O ATOM 1227 CB LYS A 82 113.161 13.167 18.206 1.00 0.00 C ATOM 1228 CG LYS A 82 111.738 13.526 17.762 1.00 0.00 C ATOM 1229 CD LYS A 82 110.784 12.382 18.117 1.00 0.00 C ATOM 1230 CE LYS A 82 109.347 12.899 18.120 1.00 0.00 C ATOM 1231 NZ LYS A 82 108.413 11.768 18.381 1.00 0.00 N ATOM 0 H LYS A 82 115.559 12.393 18.291 1.00 0.00 H new ATOM 0 HA LYS A 82 113.017 11.086 17.667 1.00 0.00 H new ATOM 0 HB2 LYS A 82 113.177 12.966 19.277 1.00 0.00 H new ATOM 0 HB3 LYS A 82 113.829 14.010 18.030 1.00 0.00 H new ATOM 0 HG2 LYS A 82 111.416 14.446 18.249 1.00 0.00 H new ATOM 0 HG3 LYS A 82 111.717 13.710 16.688 1.00 0.00 H new ATOM 0 HD2 LYS A 82 110.888 11.571 17.397 1.00 0.00 H new ATOM 0 HD3 LYS A 82 111.037 11.974 19.096 1.00 0.00 H new ATOM 0 HE2 LYS A 82 109.227 13.667 18.884 1.00 0.00 H new ATOM 0 HE3 LYS A 82 109.114 13.363 17.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 107.434 12.120 18.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 108.521 11.050 17.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 108.631 11.344 19.305 1.00 0.00 H new ATOM 1245 N LEU A 83 112.948 11.369 15.188 1.00 0.00 N ATOM 1246 CA LEU A 83 112.849 11.579 13.714 1.00 0.00 C ATOM 1247 C LEU A 83 111.643 12.463 13.392 1.00 0.00 C ATOM 1248 O LEU A 83 110.748 12.629 14.198 1.00 0.00 O ATOM 1249 CB LEU A 83 112.690 10.230 13.013 1.00 0.00 C ATOM 1250 CG LEU A 83 113.913 9.355 13.293 1.00 0.00 C ATOM 1251 CD1 LEU A 83 113.731 7.997 12.613 1.00 0.00 C ATOM 1252 CD2 LEU A 83 115.170 10.037 12.743 1.00 0.00 C ATOM 0 H LEU A 83 112.475 10.536 15.538 1.00 0.00 H new ATOM 0 HA LEU A 83 113.758 12.069 13.364 1.00 0.00 H new ATOM 0 HB2 LEU A 83 111.786 9.731 13.364 1.00 0.00 H new ATOM 0 HB3 LEU A 83 112.576 10.379 11.939 1.00 0.00 H new ATOM 0 HG LEU A 83 114.020 9.214 14.369 1.00 0.00 H new ATOM 0 HD11 LEU A 83 114.601 7.371 12.811 1.00 0.00 H new ATOM 0 HD12 LEU A 83 112.838 7.511 13.005 1.00 0.00 H new ATOM 0 HD13 LEU A 83 113.624 8.140 11.538 1.00 0.00 H new ATOM 0 HD21 LEU A 83 116.040 9.412 12.943 1.00 0.00 H new ATOM 0 HD22 LEU A 83 115.066 10.179 11.667 1.00 0.00 H new ATOM 0 HD23 LEU A 83 115.300 11.005 13.226 1.00 0.00 H new ATOM 1264 N THR A 84 111.612 13.031 12.214 1.00 0.00 N ATOM 1265 CA THR A 84 110.462 13.903 11.826 1.00 0.00 C ATOM 1266 C THR A 84 109.929 13.461 10.462 1.00 0.00 C ATOM 1267 O THR A 84 110.599 12.769 9.721 1.00 0.00 O ATOM 1268 CB THR A 84 110.933 15.358 11.739 1.00 0.00 C ATOM 1269 OG1 THR A 84 111.905 15.480 10.711 1.00 0.00 O ATOM 1270 CG2 THR A 84 111.545 15.781 13.075 1.00 0.00 C ATOM 0 H THR A 84 112.335 12.928 11.502 1.00 0.00 H new ATOM 0 HA THR A 84 109.672 13.819 12.573 1.00 0.00 H new ATOM 0 HB THR A 84 110.082 16.001 11.513 1.00 0.00 H new ATOM 0 HG1 THR A 84 112.205 16.411 10.654 1.00 0.00 H new ATOM 0 HG21 THR A 84 111.879 16.816 13.010 1.00 0.00 H new ATOM 0 HG22 THR A 84 110.797 15.689 13.863 1.00 0.00 H new ATOM 0 HG23 THR A 84 112.395 15.139 13.305 1.00 0.00 H new ATOM 1278 N ASN A 85 108.727 13.852 10.122 1.00 0.00 N ATOM 1279 CA ASN A 85 108.159 13.453 8.802 1.00 0.00 C ATOM 1280 C ASN A 85 108.194 11.930 8.665 1.00 0.00 C ATOM 1281 O ASN A 85 108.686 11.395 7.692 1.00 0.00 O ATOM 1282 CB ASN A 85 108.979 14.089 7.676 1.00 0.00 C ATOM 1283 CG ASN A 85 108.767 15.604 7.680 1.00 0.00 C ATOM 1284 OD1 ASN A 85 107.660 16.075 7.515 1.00 0.00 O ATOM 1285 ND2 ASN A 85 109.788 16.393 7.873 1.00 0.00 N ATOM 0 H ASN A 85 108.117 14.429 10.701 1.00 0.00 H new ATOM 0 HA ASN A 85 107.127 13.797 8.736 1.00 0.00 H new ATOM 0 HB2 ASN A 85 110.036 13.859 7.808 1.00 0.00 H new ATOM 0 HB3 ASN A 85 108.680 13.672 6.714 1.00 0.00 H new ATOM 0 HD21 ASN A 85 109.656 17.404 7.885 1.00 0.00 H new ATOM 0 HD22 ASN A 85 110.718 15.998 8.012 1.00 0.00 H new ATOM 1292 N ILE A 86 107.685 11.229 9.639 1.00 0.00 N ATOM 1293 CA ILE A 86 107.696 9.740 9.579 1.00 0.00 C ATOM 1294 C ILE A 86 106.537 9.235 8.712 1.00 0.00 C ATOM 1295 O ILE A 86 105.404 9.641 8.874 1.00 0.00 O ATOM 1296 CB ILE A 86 107.561 9.184 10.999 1.00 0.00 C ATOM 1297 CG1 ILE A 86 108.798 9.575 11.812 1.00 0.00 C ATOM 1298 CG2 ILE A 86 107.443 7.660 10.945 1.00 0.00 C ATOM 1299 CD1 ILE A 86 108.560 9.264 13.292 1.00 0.00 C ATOM 0 H ILE A 86 107.260 11.624 10.478 1.00 0.00 H new ATOM 0 HA ILE A 86 108.633 9.403 9.136 1.00 0.00 H new ATOM 0 HB ILE A 86 106.668 9.596 11.470 1.00 0.00 H new ATOM 0 HG12 ILE A 86 109.670 9.030 11.451 1.00 0.00 H new ATOM 0 HG13 ILE A 86 109.010 10.636 11.683 1.00 0.00 H new ATOM 0 HG21 ILE A 86 107.347 7.266 11.957 1.00 0.00 H new ATOM 0 HG22 ILE A 86 106.564 7.384 10.363 1.00 0.00 H new ATOM 0 HG23 ILE A 86 108.334 7.242 10.476 1.00 0.00 H new ATOM 0 HD11 ILE A 86 109.442 9.543 13.869 1.00 0.00 H new ATOM 0 HD12 ILE A 86 107.699 9.829 13.649 1.00 0.00 H new ATOM 0 HD13 ILE A 86 108.369 8.198 13.414 1.00 0.00 H new ATOM 1311 N ILE A 87 106.819 8.342 7.795 1.00 0.00 N ATOM 1312 CA ILE A 87 105.743 7.792 6.914 1.00 0.00 C ATOM 1313 C ILE A 87 105.786 6.264 6.967 1.00 0.00 C ATOM 1314 O ILE A 87 106.804 5.665 6.684 1.00 0.00 O ATOM 1315 CB ILE A 87 105.989 8.246 5.470 1.00 0.00 C ATOM 1316 CG1 ILE A 87 106.027 9.778 5.401 1.00 0.00 C ATOM 1317 CG2 ILE A 87 104.865 7.721 4.571 1.00 0.00 C ATOM 1318 CD1 ILE A 87 104.602 10.346 5.385 1.00 0.00 C ATOM 0 H ILE A 87 107.752 7.969 7.619 1.00 0.00 H new ATOM 0 HA ILE A 87 104.771 8.151 7.254 1.00 0.00 H new ATOM 0 HB ILE A 87 106.946 7.850 5.129 1.00 0.00 H new ATOM 0 HG12 ILE A 87 106.574 10.174 6.257 1.00 0.00 H new ATOM 0 HG13 ILE A 87 106.562 10.095 4.506 1.00 0.00 H new ATOM 0 HG21 ILE A 87 105.039 8.043 3.545 1.00 0.00 H new ATOM 0 HG22 ILE A 87 104.846 6.632 4.611 1.00 0.00 H new ATOM 0 HG23 ILE A 87 103.909 8.114 4.917 1.00 0.00 H new ATOM 0 HD11 ILE A 87 104.645 11.434 5.336 1.00 0.00 H new ATOM 0 HD12 ILE A 87 104.068 9.964 4.515 1.00 0.00 H new ATOM 0 HD13 ILE A 87 104.080 10.044 6.293 1.00 0.00 H new ATOM 1330 N MET A 88 104.698 5.624 7.327 1.00 0.00 N ATOM 1331 CA MET A 88 104.699 4.128 7.394 1.00 0.00 C ATOM 1332 C MET A 88 103.603 3.568 6.482 1.00 0.00 C ATOM 1333 O MET A 88 102.434 3.593 6.811 1.00 0.00 O ATOM 1334 CB MET A 88 104.439 3.682 8.835 1.00 0.00 C ATOM 1335 CG MET A 88 105.467 4.331 9.766 1.00 0.00 C ATOM 1336 SD MET A 88 105.175 3.784 11.468 1.00 0.00 S ATOM 1337 CE MET A 88 106.081 2.219 11.370 1.00 0.00 C ATOM 0 H MET A 88 103.815 6.070 7.576 1.00 0.00 H new ATOM 0 HA MET A 88 105.668 3.754 7.064 1.00 0.00 H new ATOM 0 HB2 MET A 88 103.430 3.964 9.137 1.00 0.00 H new ATOM 0 HB3 MET A 88 104.502 2.596 8.907 1.00 0.00 H new ATOM 0 HG2 MET A 88 106.476 4.061 9.455 1.00 0.00 H new ATOM 0 HG3 MET A 88 105.394 5.417 9.705 1.00 0.00 H new ATOM 0 HE1 MET A 88 106.166 1.785 12.366 1.00 0.00 H new ATOM 0 HE2 MET A 88 105.546 1.529 10.718 1.00 0.00 H new ATOM 0 HE3 MET A 88 107.077 2.400 10.967 1.00 0.00 H new ATOM 1347 N ASP A 89 103.978 3.047 5.341 1.00 0.00 N ATOM 1348 CA ASP A 89 102.966 2.464 4.404 1.00 0.00 C ATOM 1349 C ASP A 89 103.163 0.946 4.337 1.00 0.00 C ATOM 1350 O ASP A 89 104.045 0.451 3.659 1.00 0.00 O ATOM 1351 CB ASP A 89 103.155 3.068 3.013 1.00 0.00 C ATOM 1352 CG ASP A 89 101.988 2.659 2.114 1.00 0.00 C ATOM 1353 OD1 ASP A 89 101.195 1.837 2.543 1.00 0.00 O ATOM 1354 OD2 ASP A 89 101.907 3.174 1.011 1.00 0.00 O ATOM 0 H ASP A 89 104.944 3.000 5.016 1.00 0.00 H new ATOM 0 HA ASP A 89 101.960 2.687 4.760 1.00 0.00 H new ATOM 0 HB2 ASP A 89 103.211 4.154 3.082 1.00 0.00 H new ATOM 0 HB3 ASP A 89 104.096 2.727 2.582 1.00 0.00 H new ATOM 1359 N HIS A 90 102.354 0.196 5.036 1.00 0.00 N ATOM 1360 CA HIS A 90 102.501 -1.287 5.016 1.00 0.00 C ATOM 1361 C HIS A 90 102.037 -1.858 3.671 1.00 0.00 C ATOM 1362 O HIS A 90 102.599 -2.811 3.169 1.00 0.00 O ATOM 1363 CB HIS A 90 101.670 -1.894 6.145 1.00 0.00 C ATOM 1364 CG HIS A 90 102.241 -1.469 7.470 1.00 0.00 C ATOM 1365 ND1 HIS A 90 103.407 -2.020 7.984 1.00 0.00 N ATOM 1366 CD2 HIS A 90 101.820 -0.550 8.399 1.00 0.00 C ATOM 1367 CE1 HIS A 90 103.645 -1.432 9.171 1.00 0.00 C ATOM 1368 NE2 HIS A 90 102.707 -0.531 9.468 1.00 0.00 N ATOM 0 H HIS A 90 101.596 0.548 5.621 1.00 0.00 H new ATOM 0 HA HIS A 90 103.553 -1.538 5.155 1.00 0.00 H new ATOM 0 HB2 HIS A 90 100.633 -1.570 6.063 1.00 0.00 H new ATOM 0 HB3 HIS A 90 101.671 -2.981 6.068 1.00 0.00 H new ATOM 0 HD2 HIS A 90 100.936 0.064 8.312 1.00 0.00 H new ATOM 0 HE1 HIS A 90 104.490 -1.661 9.804 1.00 0.00 H new ATOM 0 HE2 HIS A 90 102.653 0.050 10.305 1.00 0.00 H new ATOM 1377 N TYR A 91 101.014 -1.297 3.087 1.00 0.00 N ATOM 1378 CA TYR A 91 100.525 -1.831 1.783 1.00 0.00 C ATOM 1379 C TYR A 91 101.639 -1.732 0.740 1.00 0.00 C ATOM 1380 O TYR A 91 101.905 -2.670 0.012 1.00 0.00 O ATOM 1381 CB TYR A 91 99.314 -1.023 1.313 1.00 0.00 C ATOM 1382 CG TYR A 91 98.888 -1.512 -0.052 1.00 0.00 C ATOM 1383 CD1 TYR A 91 98.140 -2.689 -0.173 1.00 0.00 C ATOM 1384 CD2 TYR A 91 99.247 -0.790 -1.196 1.00 0.00 C ATOM 1385 CE1 TYR A 91 97.750 -3.144 -1.439 1.00 0.00 C ATOM 1386 CE2 TYR A 91 98.857 -1.244 -2.461 1.00 0.00 C ATOM 1387 CZ TYR A 91 98.109 -2.420 -2.583 1.00 0.00 C ATOM 1388 OH TYR A 91 97.725 -2.868 -3.830 1.00 0.00 O ATOM 0 H TYR A 91 100.498 -0.497 3.453 1.00 0.00 H new ATOM 0 HA TYR A 91 100.235 -2.874 1.909 1.00 0.00 H new ATOM 0 HB2 TYR A 91 98.494 -1.129 2.023 1.00 0.00 H new ATOM 0 HB3 TYR A 91 99.564 0.037 1.271 1.00 0.00 H new ATOM 0 HD1 TYR A 91 97.864 -3.246 0.710 1.00 0.00 H new ATOM 0 HD2 TYR A 91 99.825 0.118 -1.103 1.00 0.00 H new ATOM 0 HE1 TYR A 91 97.173 -4.052 -1.533 1.00 0.00 H new ATOM 0 HE2 TYR A 91 99.134 -0.686 -3.344 1.00 0.00 H new ATOM 0 HH TYR A 91 98.054 -2.250 -4.515 1.00 0.00 H new ATOM 1398 N ASN A 92 102.301 -0.610 0.662 1.00 0.00 N ATOM 1399 CA ASN A 92 103.402 -0.466 -0.331 1.00 0.00 C ATOM 1400 C ASN A 92 104.714 -0.933 0.303 1.00 0.00 C ATOM 1401 O ASN A 92 105.738 -1.011 -0.347 1.00 0.00 O ATOM 1402 CB ASN A 92 103.525 0.999 -0.755 1.00 0.00 C ATOM 1403 CG ASN A 92 102.393 1.347 -1.722 1.00 0.00 C ATOM 1404 OD1 ASN A 92 101.765 0.471 -2.280 1.00 0.00 O ATOM 1405 ND2 ASN A 92 102.108 2.601 -1.950 1.00 0.00 N ATOM 0 H ASN A 92 102.127 0.211 1.242 1.00 0.00 H new ATOM 0 HA ASN A 92 103.185 -1.073 -1.210 1.00 0.00 H new ATOM 0 HB2 ASN A 92 103.482 1.647 0.121 1.00 0.00 H new ATOM 0 HB3 ASN A 92 104.490 1.171 -1.231 1.00 0.00 H new ATOM 0 HD21 ASN A 92 101.358 2.844 -2.597 1.00 0.00 H new ATOM 0 HD22 ASN A 92 102.636 3.337 -1.481 1.00 0.00 H new ATOM 1412 N ASN A 93 104.681 -1.265 1.565 1.00 0.00 N ATOM 1413 CA ASN A 93 105.913 -1.753 2.244 1.00 0.00 C ATOM 1414 C ASN A 93 107.049 -0.744 2.070 1.00 0.00 C ATOM 1415 O ASN A 93 108.153 -1.101 1.712 1.00 0.00 O ATOM 1416 CB ASN A 93 106.325 -3.100 1.642 1.00 0.00 C ATOM 1417 CG ASN A 93 105.315 -4.175 2.053 1.00 0.00 C ATOM 1418 OD1 ASN A 93 104.572 -3.998 2.998 1.00 0.00 O ATOM 1419 ND2 ASN A 93 105.256 -5.291 1.377 1.00 0.00 N ATOM 0 H ASN A 93 103.851 -1.219 2.156 1.00 0.00 H new ATOM 0 HA ASN A 93 105.709 -1.873 3.308 1.00 0.00 H new ATOM 0 HB2 ASN A 93 106.371 -3.026 0.555 1.00 0.00 H new ATOM 0 HB3 ASN A 93 107.323 -3.374 1.985 1.00 0.00 H new ATOM 0 HD21 ASN A 93 104.586 -6.013 1.642 1.00 0.00 H new ATOM 0 HD22 ASN A 93 105.879 -5.440 0.584 1.00 0.00 H new ATOM 1426 N THR A 94 106.795 0.518 2.318 1.00 0.00 N ATOM 1427 CA THR A 94 107.870 1.544 2.167 1.00 0.00 C ATOM 1428 C THR A 94 107.862 2.469 3.388 1.00 0.00 C ATOM 1429 O THR A 94 106.820 2.842 3.890 1.00 0.00 O ATOM 1430 CB THR A 94 107.624 2.365 0.900 1.00 0.00 C ATOM 1431 OG1 THR A 94 108.565 3.426 0.837 1.00 0.00 O ATOM 1432 CG2 THR A 94 106.209 2.938 0.925 1.00 0.00 C ATOM 0 H THR A 94 105.890 0.880 2.618 1.00 0.00 H new ATOM 0 HA THR A 94 108.838 1.048 2.091 1.00 0.00 H new ATOM 0 HB THR A 94 107.737 1.725 0.025 1.00 0.00 H new ATOM 0 HG1 THR A 94 108.135 4.223 0.462 1.00 0.00 H new ATOM 0 HG21 THR A 94 106.037 3.522 0.021 1.00 0.00 H new ATOM 0 HG22 THR A 94 105.487 2.123 0.973 1.00 0.00 H new ATOM 0 HG23 THR A 94 106.091 3.579 1.799 1.00 0.00 H new ATOM 1440 N PHE A 95 109.022 2.828 3.875 1.00 0.00 N ATOM 1441 CA PHE A 95 109.081 3.720 5.077 1.00 0.00 C ATOM 1442 C PHE A 95 109.995 4.914 4.800 1.00 0.00 C ATOM 1443 O PHE A 95 111.029 4.775 4.187 1.00 0.00 O ATOM 1444 CB PHE A 95 109.642 2.921 6.256 1.00 0.00 C ATOM 1445 CG PHE A 95 108.761 1.722 6.516 1.00 0.00 C ATOM 1446 CD1 PHE A 95 108.936 0.550 5.771 1.00 0.00 C ATOM 1447 CD2 PHE A 95 107.773 1.780 7.505 1.00 0.00 C ATOM 1448 CE1 PHE A 95 108.121 -0.562 6.013 1.00 0.00 C ATOM 1449 CE2 PHE A 95 106.957 0.668 7.747 1.00 0.00 C ATOM 1450 CZ PHE A 95 107.131 -0.504 7.000 1.00 0.00 C ATOM 0 H PHE A 95 109.926 2.546 3.497 1.00 0.00 H new ATOM 0 HA PHE A 95 108.080 4.084 5.308 1.00 0.00 H new ATOM 0 HB2 PHE A 95 110.660 2.597 6.038 1.00 0.00 H new ATOM 0 HB3 PHE A 95 109.691 3.550 7.145 1.00 0.00 H new ATOM 0 HD1 PHE A 95 109.700 0.504 5.009 1.00 0.00 H new ATOM 0 HD2 PHE A 95 107.640 2.683 8.082 1.00 0.00 H new ATOM 0 HE1 PHE A 95 108.256 -1.466 5.437 1.00 0.00 H new ATOM 0 HE2 PHE A 95 106.194 0.714 8.510 1.00 0.00 H new ATOM 0 HZ PHE A 95 106.502 -1.362 7.186 1.00 0.00 H new ATOM 1460 N TYR A 96 109.624 6.088 5.255 1.00 0.00 N ATOM 1461 CA TYR A 96 110.474 7.295 5.022 1.00 0.00 C ATOM 1462 C TYR A 96 110.518 8.134 6.305 1.00 0.00 C ATOM 1463 O TYR A 96 109.564 8.185 7.057 1.00 0.00 O ATOM 1464 CB TYR A 96 109.872 8.156 3.906 1.00 0.00 C ATOM 1465 CG TYR A 96 109.699 7.345 2.646 1.00 0.00 C ATOM 1466 CD1 TYR A 96 110.729 7.284 1.701 1.00 0.00 C ATOM 1467 CD2 TYR A 96 108.496 6.665 2.418 1.00 0.00 C ATOM 1468 CE1 TYR A 96 110.556 6.542 0.526 1.00 0.00 C ATOM 1469 CE2 TYR A 96 108.324 5.925 1.243 1.00 0.00 C ATOM 1470 CZ TYR A 96 109.353 5.862 0.297 1.00 0.00 C ATOM 1471 OH TYR A 96 109.181 5.133 -0.861 1.00 0.00 O ATOM 0 H TYR A 96 108.766 6.260 5.779 1.00 0.00 H new ATOM 0 HA TYR A 96 111.475 6.972 4.738 1.00 0.00 H new ATOM 0 HB2 TYR A 96 108.908 8.553 4.225 1.00 0.00 H new ATOM 0 HB3 TYR A 96 110.519 9.011 3.709 1.00 0.00 H new ATOM 0 HD1 TYR A 96 111.656 7.809 1.878 1.00 0.00 H new ATOM 0 HD2 TYR A 96 107.702 6.712 3.148 1.00 0.00 H new ATOM 0 HE1 TYR A 96 111.351 6.494 -0.204 1.00 0.00 H new ATOM 0 HE2 TYR A 96 107.396 5.402 1.066 1.00 0.00 H new ATOM 0 HH TYR A 96 109.299 4.180 -0.668 1.00 0.00 H new ATOM 1481 N SER A 97 111.609 8.806 6.554 1.00 0.00 N ATOM 1482 CA SER A 97 111.705 9.655 7.775 1.00 0.00 C ATOM 1483 C SER A 97 112.760 10.745 7.550 1.00 0.00 C ATOM 1484 O SER A 97 113.644 10.607 6.720 1.00 0.00 O ATOM 1485 CB SER A 97 112.109 8.789 8.974 1.00 0.00 C ATOM 1486 OG SER A 97 113.520 8.618 8.978 1.00 0.00 O ATOM 0 H SER A 97 112.440 8.803 5.963 1.00 0.00 H new ATOM 0 HA SER A 97 110.738 10.117 7.976 1.00 0.00 H new ATOM 0 HB2 SER A 97 111.786 9.260 9.902 1.00 0.00 H new ATOM 0 HB3 SER A 97 111.614 7.819 8.920 1.00 0.00 H new ATOM 0 HG SER A 97 113.744 7.754 9.384 1.00 0.00 H new ATOM 1492 N ARG A 98 112.684 11.822 8.291 1.00 0.00 N ATOM 1493 CA ARG A 98 113.687 12.918 8.131 1.00 0.00 C ATOM 1494 C ARG A 98 114.686 12.874 9.291 1.00 0.00 C ATOM 1495 O ARG A 98 114.320 12.671 10.433 1.00 0.00 O ATOM 1496 CB ARG A 98 112.975 14.275 8.119 1.00 0.00 C ATOM 1497 CG ARG A 98 112.452 14.586 6.711 1.00 0.00 C ATOM 1498 CD ARG A 98 113.543 15.313 5.914 1.00 0.00 C ATOM 1499 NE ARG A 98 112.982 15.749 4.601 1.00 0.00 N ATOM 1500 CZ ARG A 98 113.665 16.537 3.810 1.00 0.00 C ATOM 1501 NH1 ARG A 98 114.792 17.062 4.212 1.00 0.00 N ATOM 1502 NH2 ARG A 98 113.201 16.826 2.624 1.00 0.00 N ATOM 0 H ARG A 98 111.970 11.989 9.000 1.00 0.00 H new ATOM 0 HA ARG A 98 114.219 12.782 7.189 1.00 0.00 H new ATOM 0 HB2 ARG A 98 112.148 14.266 8.829 1.00 0.00 H new ATOM 0 HB3 ARG A 98 113.662 15.057 8.441 1.00 0.00 H new ATOM 0 HG2 ARG A 98 112.169 13.664 6.204 1.00 0.00 H new ATOM 0 HG3 ARG A 98 111.557 15.205 6.772 1.00 0.00 H new ATOM 0 HD2 ARG A 98 113.905 16.176 6.473 1.00 0.00 H new ATOM 0 HD3 ARG A 98 114.397 14.654 5.758 1.00 0.00 H new ATOM 0 HE ARG A 98 112.056 15.429 4.317 1.00 0.00 H new ATOM 0 HH11 ARG A 98 115.144 16.859 5.147 1.00 0.00 H new ATOM 0 HH12 ARG A 98 115.319 17.675 3.590 1.00 0.00 H new ATOM 0 HH21 ARG A 98 112.309 16.438 2.317 1.00 0.00 H new ATOM 0 HH22 ARG A 98 113.730 17.440 2.005 1.00 0.00 H new ATOM 1516 N LEU A 99 115.945 13.054 8.997 1.00 0.00 N ATOM 1517 CA LEU A 99 116.981 13.019 10.064 1.00 0.00 C ATOM 1518 C LEU A 99 117.144 14.421 10.671 1.00 0.00 C ATOM 1519 O LEU A 99 117.196 15.398 9.951 1.00 0.00 O ATOM 1520 CB LEU A 99 118.321 12.594 9.462 1.00 0.00 C ATOM 1521 CG LEU A 99 118.321 11.093 9.168 1.00 0.00 C ATOM 1522 CD1 LEU A 99 119.632 10.719 8.471 1.00 0.00 C ATOM 1523 CD2 LEU A 99 118.198 10.304 10.479 1.00 0.00 C ATOM 0 H LEU A 99 116.301 13.225 8.057 1.00 0.00 H new ATOM 0 HA LEU A 99 116.674 12.311 10.834 1.00 0.00 H new ATOM 0 HB2 LEU A 99 118.507 13.151 8.544 1.00 0.00 H new ATOM 0 HB3 LEU A 99 119.130 12.836 10.151 1.00 0.00 H new ATOM 0 HG LEU A 99 117.476 10.850 8.524 1.00 0.00 H new ATOM 0 HD11 LEU A 99 119.639 9.650 8.258 1.00 0.00 H new ATOM 0 HD12 LEU A 99 119.719 11.275 7.538 1.00 0.00 H new ATOM 0 HD13 LEU A 99 120.472 10.965 9.120 1.00 0.00 H new ATOM 0 HD21 LEU A 99 118.199 9.236 10.262 1.00 0.00 H new ATOM 0 HD22 LEU A 99 119.041 10.543 11.128 1.00 0.00 H new ATOM 0 HD23 LEU A 99 117.267 10.572 10.979 1.00 0.00 H new ATOM 1535 N PRO A 100 117.258 14.532 11.974 1.00 0.00 N ATOM 1536 CA PRO A 100 117.449 15.851 12.633 1.00 0.00 C ATOM 1537 C PRO A 100 118.530 16.671 11.927 1.00 0.00 C ATOM 1538 O PRO A 100 119.407 16.132 11.281 1.00 0.00 O ATOM 1539 CB PRO A 100 117.904 15.484 14.047 1.00 0.00 C ATOM 1540 CG PRO A 100 117.335 14.132 14.309 1.00 0.00 C ATOM 1541 CD PRO A 100 117.201 13.435 12.957 1.00 0.00 C ATOM 0 HA PRO A 100 116.546 16.461 12.613 1.00 0.00 H new ATOM 0 HB2 PRO A 100 118.992 15.473 14.119 1.00 0.00 H new ATOM 0 HB3 PRO A 100 117.544 16.210 14.776 1.00 0.00 H new ATOM 0 HG2 PRO A 100 117.984 13.562 14.974 1.00 0.00 H new ATOM 0 HG3 PRO A 100 116.365 14.210 14.800 1.00 0.00 H new ATOM 0 HD2 PRO A 100 118.005 12.717 12.798 1.00 0.00 H new ATOM 0 HD3 PRO A 100 116.263 12.884 12.885 1.00 0.00 H new ATOM 1549 N SER A 101 118.466 17.968 12.024 1.00 0.00 N ATOM 1550 CA SER A 101 119.483 18.810 11.343 1.00 0.00 C ATOM 1551 C SER A 101 120.871 18.518 11.917 1.00 0.00 C ATOM 1552 O SER A 101 121.859 18.530 11.210 1.00 0.00 O ATOM 1553 CB SER A 101 119.149 20.286 11.548 1.00 0.00 C ATOM 1554 OG SER A 101 117.980 20.610 10.804 1.00 0.00 O ATOM 0 H SER A 101 117.754 18.480 12.545 1.00 0.00 H new ATOM 0 HA SER A 101 119.479 18.580 10.278 1.00 0.00 H new ATOM 0 HB2 SER A 101 118.989 20.491 12.607 1.00 0.00 H new ATOM 0 HB3 SER A 101 119.984 20.908 11.225 1.00 0.00 H new ATOM 0 HG SER A 101 117.761 21.556 10.934 1.00 0.00 H new ATOM 1560 N LEU A 102 120.957 18.277 13.198 1.00 0.00 N ATOM 1561 CA LEU A 102 122.287 18.012 13.829 1.00 0.00 C ATOM 1562 C LEU A 102 122.385 16.553 14.284 1.00 0.00 C ATOM 1563 O LEU A 102 121.514 16.041 14.957 1.00 0.00 O ATOM 1564 CB LEU A 102 122.450 18.935 15.038 1.00 0.00 C ATOM 1565 CG LEU A 102 123.793 18.668 15.721 1.00 0.00 C ATOM 1566 CD1 LEU A 102 124.931 18.869 14.718 1.00 0.00 C ATOM 1567 CD2 LEU A 102 123.966 19.643 16.888 1.00 0.00 C ATOM 0 H LEU A 102 120.163 18.252 13.838 1.00 0.00 H new ATOM 0 HA LEU A 102 123.075 18.201 13.100 1.00 0.00 H new ATOM 0 HB2 LEU A 102 122.394 19.976 14.721 1.00 0.00 H new ATOM 0 HB3 LEU A 102 121.635 18.772 15.743 1.00 0.00 H new ATOM 0 HG LEU A 102 123.816 17.643 16.090 1.00 0.00 H new ATOM 0 HD11 LEU A 102 125.886 18.678 15.208 1.00 0.00 H new ATOM 0 HD12 LEU A 102 124.807 18.179 13.884 1.00 0.00 H new ATOM 0 HD13 LEU A 102 124.912 19.894 14.347 1.00 0.00 H new ATOM 0 HD21 LEU A 102 124.921 19.457 17.379 1.00 0.00 H new ATOM 0 HD22 LEU A 102 123.943 20.666 16.514 1.00 0.00 H new ATOM 0 HD23 LEU A 102 123.157 19.501 17.604 1.00 0.00 H new ATOM 1579 N ILE A 103 123.453 15.887 13.931 1.00 0.00 N ATOM 1580 CA ILE A 103 123.635 14.467 14.351 1.00 0.00 C ATOM 1581 C ILE A 103 125.124 14.210 14.594 1.00 0.00 C ATOM 1582 O ILE A 103 125.893 14.066 13.665 1.00 0.00 O ATOM 1583 CB ILE A 103 123.133 13.522 13.256 1.00 0.00 C ATOM 1584 CG1 ILE A 103 121.613 13.649 13.120 1.00 0.00 C ATOM 1585 CG2 ILE A 103 123.485 12.077 13.621 1.00 0.00 C ATOM 1586 CD1 ILE A 103 121.138 12.860 11.899 1.00 0.00 C ATOM 0 H ILE A 103 124.212 16.269 13.366 1.00 0.00 H new ATOM 0 HA ILE A 103 123.066 14.286 15.263 1.00 0.00 H new ATOM 0 HB ILE A 103 123.608 13.788 12.312 1.00 0.00 H new ATOM 0 HG12 ILE A 103 121.125 13.274 14.020 1.00 0.00 H new ATOM 0 HG13 ILE A 103 121.333 14.698 13.019 1.00 0.00 H new ATOM 0 HG21 ILE A 103 123.126 11.407 12.840 1.00 0.00 H new ATOM 0 HG22 ILE A 103 124.566 11.979 13.715 1.00 0.00 H new ATOM 0 HG23 ILE A 103 123.013 11.816 14.568 1.00 0.00 H new ATOM 0 HD11 ILE A 103 120.056 12.952 11.805 1.00 0.00 H new ATOM 0 HD12 ILE A 103 121.615 13.255 11.002 1.00 0.00 H new ATOM 0 HD13 ILE A 103 121.404 11.810 12.019 1.00 0.00 H new ATOM 1598 N SER A 104 125.540 14.155 15.831 1.00 0.00 N ATOM 1599 CA SER A 104 126.985 13.914 16.128 1.00 0.00 C ATOM 1600 C SER A 104 127.157 12.530 16.757 1.00 0.00 C ATOM 1601 O SER A 104 127.736 12.389 17.816 1.00 0.00 O ATOM 1602 CB SER A 104 127.489 14.981 17.099 1.00 0.00 C ATOM 1603 OG SER A 104 127.067 16.263 16.647 1.00 0.00 O ATOM 0 H SER A 104 124.942 14.266 16.650 1.00 0.00 H new ATOM 0 HA SER A 104 127.558 13.963 15.202 1.00 0.00 H new ATOM 0 HB2 SER A 104 127.103 14.790 18.100 1.00 0.00 H new ATOM 0 HB3 SER A 104 128.576 14.945 17.165 1.00 0.00 H new ATOM 0 HG SER A 104 127.387 16.950 17.268 1.00 0.00 H new ATOM 1609 N ASP A 105 126.660 11.507 16.116 1.00 0.00 N ATOM 1610 CA ASP A 105 126.796 10.134 16.681 1.00 0.00 C ATOM 1611 C ASP A 105 126.981 9.118 15.551 1.00 0.00 C ATOM 1612 O ASP A 105 126.592 9.347 14.425 1.00 0.00 O ATOM 1613 CB ASP A 105 125.541 9.788 17.483 1.00 0.00 C ATOM 1614 CG ASP A 105 125.591 10.473 18.849 1.00 0.00 C ATOM 1615 OD1 ASP A 105 126.670 10.879 19.247 1.00 0.00 O ATOM 1616 OD2 ASP A 105 124.549 10.582 19.472 1.00 0.00 O ATOM 0 H ASP A 105 126.166 11.563 15.226 1.00 0.00 H new ATOM 0 HA ASP A 105 127.668 10.100 17.334 1.00 0.00 H new ATOM 0 HB2 ASP A 105 124.652 10.107 16.939 1.00 0.00 H new ATOM 0 HB3 ASP A 105 125.467 8.708 17.611 1.00 0.00 H new ATOM 1621 N ASN A 106 127.568 7.993 15.852 1.00 0.00 N ATOM 1622 CA ASN A 106 127.781 6.943 14.811 1.00 0.00 C ATOM 1623 C ASN A 106 126.742 5.833 14.999 1.00 0.00 C ATOM 1624 O ASN A 106 127.013 4.673 14.774 1.00 0.00 O ATOM 1625 CB ASN A 106 129.183 6.348 14.957 1.00 0.00 C ATOM 1626 CG ASN A 106 130.231 7.374 14.527 1.00 0.00 C ATOM 1627 OD1 ASN A 106 129.920 8.330 13.845 1.00 0.00 O ATOM 1628 ND2 ASN A 106 131.472 7.212 14.898 1.00 0.00 N ATOM 0 H ASN A 106 127.913 7.752 16.781 1.00 0.00 H new ATOM 0 HA ASN A 106 127.678 7.387 13.821 1.00 0.00 H new ATOM 0 HB2 ASN A 106 129.355 6.051 15.991 1.00 0.00 H new ATOM 0 HB3 ASN A 106 129.271 5.448 14.348 1.00 0.00 H new ATOM 0 HD21 ASN A 106 132.181 7.888 14.615 1.00 0.00 H new ATOM 0 HD22 ASN A 106 131.732 6.409 15.471 1.00 0.00 H new ATOM 1635 N TRP A 107 125.567 6.178 15.441 1.00 0.00 N ATOM 1636 CA TRP A 107 124.525 5.138 15.679 1.00 0.00 C ATOM 1637 C TRP A 107 124.118 4.479 14.360 1.00 0.00 C ATOM 1638 O TRP A 107 124.175 5.075 13.302 1.00 0.00 O ATOM 1639 CB TRP A 107 123.292 5.780 16.329 1.00 0.00 C ATOM 1640 CG TRP A 107 122.732 6.840 15.433 1.00 0.00 C ATOM 1641 CD1 TRP A 107 123.298 8.048 15.209 1.00 0.00 C ATOM 1642 CD2 TRP A 107 121.503 6.819 14.651 1.00 0.00 C ATOM 1643 NE1 TRP A 107 122.505 8.765 14.338 1.00 0.00 N ATOM 1644 CE2 TRP A 107 121.384 8.052 13.965 1.00 0.00 C ATOM 1645 CE3 TRP A 107 120.492 5.860 14.471 1.00 0.00 C ATOM 1646 CZ2 TRP A 107 120.299 8.322 13.130 1.00 0.00 C ATOM 1647 CZ3 TRP A 107 119.399 6.131 13.633 1.00 0.00 C ATOM 1648 CH2 TRP A 107 119.304 7.358 12.964 1.00 0.00 C ATOM 0 H TRP A 107 125.281 7.135 15.648 1.00 0.00 H new ATOM 0 HA TRP A 107 124.937 4.378 16.343 1.00 0.00 H new ATOM 0 HB2 TRP A 107 122.536 5.019 16.522 1.00 0.00 H new ATOM 0 HB3 TRP A 107 123.563 6.213 17.292 1.00 0.00 H new ATOM 0 HD1 TRP A 107 124.224 8.396 15.643 1.00 0.00 H new ATOM 0 HE1 TRP A 107 122.721 9.706 14.010 1.00 0.00 H new ATOM 0 HE3 TRP A 107 120.556 4.910 14.980 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 120.230 9.270 12.616 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 118.626 5.388 13.503 1.00 0.00 H new ATOM 0 HH2 TRP A 107 118.461 7.558 12.320 1.00 0.00 H new ATOM 1659 N LYS A 108 123.711 3.240 14.428 1.00 0.00 N ATOM 1660 CA LYS A 108 123.298 2.501 13.203 1.00 0.00 C ATOM 1661 C LYS A 108 121.964 1.804 13.470 1.00 0.00 C ATOM 1662 O LYS A 108 121.664 1.430 14.588 1.00 0.00 O ATOM 1663 CB LYS A 108 124.365 1.454 12.858 1.00 0.00 C ATOM 1664 CG LYS A 108 123.902 0.617 11.661 1.00 0.00 C ATOM 1665 CD LYS A 108 124.950 -0.449 11.339 1.00 0.00 C ATOM 1666 CE LYS A 108 126.069 0.163 10.495 1.00 0.00 C ATOM 1667 NZ LYS A 108 126.980 -0.916 10.020 1.00 0.00 N ATOM 0 H LYS A 108 123.647 2.703 15.293 1.00 0.00 H new ATOM 0 HA LYS A 108 123.190 3.194 12.369 1.00 0.00 H new ATOM 0 HB2 LYS A 108 125.309 1.946 12.626 1.00 0.00 H new ATOM 0 HB3 LYS A 108 124.545 0.808 13.717 1.00 0.00 H new ATOM 0 HG2 LYS A 108 122.946 0.144 11.884 1.00 0.00 H new ATOM 0 HG3 LYS A 108 123.745 1.260 10.795 1.00 0.00 H new ATOM 0 HD2 LYS A 108 125.361 -0.859 12.262 1.00 0.00 H new ATOM 0 HD3 LYS A 108 124.487 -1.276 10.801 1.00 0.00 H new ATOM 0 HE2 LYS A 108 125.646 0.698 9.644 1.00 0.00 H new ATOM 0 HE3 LYS A 108 126.627 0.891 11.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 127.741 -0.500 9.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 127.393 -1.407 10.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 126.443 -1.595 9.443 1.00 0.00 H new ATOM 1681 N PHE A 109 121.166 1.607 12.453 1.00 0.00 N ATOM 1682 CA PHE A 109 119.860 0.912 12.665 1.00 0.00 C ATOM 1683 C PHE A 109 119.472 0.192 11.370 1.00 0.00 C ATOM 1684 O PHE A 109 119.993 0.488 10.311 1.00 0.00 O ATOM 1685 CB PHE A 109 118.787 1.933 13.050 1.00 0.00 C ATOM 1686 CG PHE A 109 118.382 2.744 11.846 1.00 0.00 C ATOM 1687 CD1 PHE A 109 119.103 3.891 11.494 1.00 0.00 C ATOM 1688 CD2 PHE A 109 117.274 2.353 11.085 1.00 0.00 C ATOM 1689 CE1 PHE A 109 118.716 4.645 10.380 1.00 0.00 C ATOM 1690 CE2 PHE A 109 116.886 3.108 9.972 1.00 0.00 C ATOM 1691 CZ PHE A 109 117.607 4.254 9.619 1.00 0.00 C ATOM 0 H PHE A 109 121.359 1.894 11.493 1.00 0.00 H new ATOM 0 HA PHE A 109 119.948 0.185 13.473 1.00 0.00 H new ATOM 0 HB2 PHE A 109 117.917 1.420 13.461 1.00 0.00 H new ATOM 0 HB3 PHE A 109 119.166 2.593 13.831 1.00 0.00 H new ATOM 0 HD1 PHE A 109 119.957 4.194 12.081 1.00 0.00 H new ATOM 0 HD2 PHE A 109 116.718 1.468 11.357 1.00 0.00 H new ATOM 0 HE1 PHE A 109 119.273 5.529 10.107 1.00 0.00 H new ATOM 0 HE2 PHE A 109 116.031 2.806 9.386 1.00 0.00 H new ATOM 0 HZ PHE A 109 117.309 4.837 8.760 1.00 0.00 H new ATOM 1701 N PHE A 110 118.585 -0.769 11.434 1.00 0.00 N ATOM 1702 CA PHE A 110 118.220 -1.502 10.189 1.00 0.00 C ATOM 1703 C PHE A 110 116.810 -2.099 10.269 1.00 0.00 C ATOM 1704 O PHE A 110 116.233 -2.242 11.327 1.00 0.00 O ATOM 1705 CB PHE A 110 119.235 -2.629 9.971 1.00 0.00 C ATOM 1706 CG PHE A 110 119.418 -3.405 11.254 1.00 0.00 C ATOM 1707 CD1 PHE A 110 120.201 -2.873 12.286 1.00 0.00 C ATOM 1708 CD2 PHE A 110 118.809 -4.657 11.413 1.00 0.00 C ATOM 1709 CE1 PHE A 110 120.373 -3.591 13.476 1.00 0.00 C ATOM 1710 CE2 PHE A 110 118.983 -5.375 12.602 1.00 0.00 C ATOM 1711 CZ PHE A 110 119.766 -4.843 13.634 1.00 0.00 C ATOM 0 H PHE A 110 118.106 -1.073 12.282 1.00 0.00 H new ATOM 0 HA PHE A 110 118.234 -0.797 9.358 1.00 0.00 H new ATOM 0 HB2 PHE A 110 118.890 -3.294 9.179 1.00 0.00 H new ATOM 0 HB3 PHE A 110 120.189 -2.214 9.646 1.00 0.00 H new ATOM 0 HD1 PHE A 110 120.672 -1.909 12.164 1.00 0.00 H new ATOM 0 HD2 PHE A 110 118.205 -5.068 10.618 1.00 0.00 H new ATOM 0 HE1 PHE A 110 120.974 -3.179 14.273 1.00 0.00 H new ATOM 0 HE2 PHE A 110 118.513 -6.340 12.724 1.00 0.00 H new ATOM 0 HZ PHE A 110 119.902 -5.398 14.551 1.00 0.00 H new ATOM 1721 N CYS A 111 116.279 -2.479 9.136 1.00 0.00 N ATOM 1722 CA CYS A 111 114.926 -3.110 9.085 1.00 0.00 C ATOM 1723 C CYS A 111 115.051 -4.420 8.308 1.00 0.00 C ATOM 1724 O CYS A 111 115.987 -4.603 7.558 1.00 0.00 O ATOM 1725 CB CYS A 111 113.936 -2.180 8.380 1.00 0.00 C ATOM 1726 SG CYS A 111 113.656 -0.711 9.403 1.00 0.00 S ATOM 0 H CYS A 111 116.734 -2.377 8.229 1.00 0.00 H new ATOM 0 HA CYS A 111 114.558 -3.297 10.094 1.00 0.00 H new ATOM 0 HB2 CYS A 111 114.326 -1.888 7.405 1.00 0.00 H new ATOM 0 HB3 CYS A 111 112.994 -2.699 8.205 1.00 0.00 H new ATOM 1731 N VAL A 112 114.147 -5.348 8.490 1.00 0.00 N ATOM 1732 CA VAL A 112 114.273 -6.654 7.767 1.00 0.00 C ATOM 1733 C VAL A 112 112.991 -7.016 7.013 1.00 0.00 C ATOM 1734 O VAL A 112 111.894 -6.896 7.517 1.00 0.00 O ATOM 1735 CB VAL A 112 114.587 -7.757 8.778 1.00 0.00 C ATOM 1736 CG1 VAL A 112 114.416 -9.124 8.112 1.00 0.00 C ATOM 1737 CG2 VAL A 112 116.030 -7.607 9.260 1.00 0.00 C ATOM 0 H VAL A 112 113.334 -5.262 9.101 1.00 0.00 H new ATOM 0 HA VAL A 112 115.076 -6.557 7.037 1.00 0.00 H new ATOM 0 HB VAL A 112 113.907 -7.677 9.626 1.00 0.00 H new ATOM 0 HG11 VAL A 112 114.640 -9.910 8.833 1.00 0.00 H new ATOM 0 HG12 VAL A 112 113.389 -9.233 7.763 1.00 0.00 H new ATOM 0 HG13 VAL A 112 115.097 -9.204 7.265 1.00 0.00 H new ATOM 0 HG21 VAL A 112 116.256 -8.392 9.981 1.00 0.00 H new ATOM 0 HG22 VAL A 112 116.708 -7.688 8.410 1.00 0.00 H new ATOM 0 HG23 VAL A 112 116.156 -6.633 9.733 1.00 0.00 H new ATOM 1747 N CYS A 113 113.146 -7.511 5.809 1.00 0.00 N ATOM 1748 CA CYS A 113 111.979 -7.956 4.993 1.00 0.00 C ATOM 1749 C CYS A 113 112.178 -9.451 4.716 1.00 0.00 C ATOM 1750 O CYS A 113 113.246 -9.864 4.308 1.00 0.00 O ATOM 1751 CB CYS A 113 111.950 -7.194 3.667 1.00 0.00 C ATOM 1752 SG CYS A 113 111.474 -5.471 3.955 1.00 0.00 S ATOM 0 H CYS A 113 114.050 -7.626 5.351 1.00 0.00 H new ATOM 0 HA CYS A 113 111.042 -7.769 5.518 1.00 0.00 H new ATOM 0 HB2 CYS A 113 112.931 -7.235 3.193 1.00 0.00 H new ATOM 0 HB3 CYS A 113 111.245 -7.665 2.982 1.00 0.00 H new ATOM 1757 N SER A 114 111.195 -10.283 4.952 1.00 0.00 N ATOM 1758 CA SER A 114 111.418 -11.738 4.708 1.00 0.00 C ATOM 1759 C SER A 114 110.109 -12.530 4.778 1.00 0.00 C ATOM 1760 O SER A 114 109.044 -11.996 5.028 1.00 0.00 O ATOM 1761 CB SER A 114 112.368 -12.273 5.776 1.00 0.00 C ATOM 1762 OG SER A 114 111.853 -11.946 7.060 1.00 0.00 O ATOM 0 H SER A 114 110.269 -10.026 5.295 1.00 0.00 H new ATOM 0 HA SER A 114 111.838 -11.856 3.709 1.00 0.00 H new ATOM 0 HB2 SER A 114 112.475 -13.353 5.677 1.00 0.00 H new ATOM 0 HB3 SER A 114 113.361 -11.841 5.647 1.00 0.00 H new ATOM 0 HG SER A 114 112.457 -12.288 7.752 1.00 0.00 H new ATOM 1768 N LYS A 115 110.210 -13.816 4.562 1.00 0.00 N ATOM 1769 CA LYS A 115 109.025 -14.717 4.622 1.00 0.00 C ATOM 1770 C LYS A 115 109.527 -16.143 4.857 1.00 0.00 C ATOM 1771 O LYS A 115 110.703 -16.419 4.739 1.00 0.00 O ATOM 1772 CB LYS A 115 108.243 -14.681 3.307 1.00 0.00 C ATOM 1773 CG LYS A 115 107.496 -13.355 3.166 1.00 0.00 C ATOM 1774 CD LYS A 115 106.311 -13.541 2.209 1.00 0.00 C ATOM 1775 CE LYS A 115 106.806 -14.076 0.862 1.00 0.00 C ATOM 1776 NZ LYS A 115 105.662 -14.174 -0.086 1.00 0.00 N ATOM 0 H LYS A 115 111.087 -14.288 4.341 1.00 0.00 H new ATOM 0 HA LYS A 115 108.365 -14.390 5.426 1.00 0.00 H new ATOM 0 HB2 LYS A 115 108.925 -14.812 2.467 1.00 0.00 H new ATOM 0 HB3 LYS A 115 107.535 -15.509 3.275 1.00 0.00 H new ATOM 0 HG2 LYS A 115 107.142 -13.018 4.140 1.00 0.00 H new ATOM 0 HG3 LYS A 115 108.167 -12.585 2.787 1.00 0.00 H new ATOM 0 HD2 LYS A 115 105.589 -14.233 2.641 1.00 0.00 H new ATOM 0 HD3 LYS A 115 105.796 -12.591 2.066 1.00 0.00 H new ATOM 0 HE2 LYS A 115 107.572 -13.416 0.456 1.00 0.00 H new ATOM 0 HE3 LYS A 115 107.266 -15.055 0.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 105.877 -14.881 -0.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 104.806 -14.460 0.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 105.502 -13.249 -0.534 1.00 0.00 H new ATOM 1790 N ASP A 116 108.659 -17.055 5.185 1.00 0.00 N ATOM 1791 CA ASP A 116 109.117 -18.456 5.410 1.00 0.00 C ATOM 1792 C ASP A 116 109.795 -18.971 4.134 1.00 0.00 C ATOM 1793 O ASP A 116 109.469 -18.552 3.042 1.00 0.00 O ATOM 1794 CB ASP A 116 107.916 -19.340 5.748 1.00 0.00 C ATOM 1795 CG ASP A 116 106.950 -19.367 4.563 1.00 0.00 C ATOM 1796 OD1 ASP A 116 107.179 -18.629 3.618 1.00 0.00 O ATOM 1797 OD2 ASP A 116 105.998 -20.129 4.617 1.00 0.00 O ATOM 0 H ASP A 116 107.659 -16.896 5.307 1.00 0.00 H new ATOM 0 HA ASP A 116 109.825 -18.484 6.239 1.00 0.00 H new ATOM 0 HB2 ASP A 116 108.250 -20.351 5.981 1.00 0.00 H new ATOM 0 HB3 ASP A 116 107.409 -18.959 6.635 1.00 0.00 H new ATOM 1802 N ASN A 117 110.724 -19.880 4.263 1.00 0.00 N ATOM 1803 CA ASN A 117 111.415 -20.425 3.052 1.00 0.00 C ATOM 1804 C ASN A 117 111.713 -19.285 2.074 1.00 0.00 C ATOM 1805 O ASN A 117 111.289 -19.320 0.938 1.00 0.00 O ATOM 1806 CB ASN A 117 110.512 -21.453 2.367 1.00 0.00 C ATOM 1807 CG ASN A 117 111.295 -22.165 1.262 1.00 0.00 C ATOM 1808 OD1 ASN A 117 112.443 -21.852 1.016 1.00 0.00 O ATOM 1809 ND2 ASN A 117 110.719 -23.118 0.581 1.00 0.00 N ATOM 0 H ASN A 117 111.036 -20.270 5.152 1.00 0.00 H new ATOM 0 HA ASN A 117 112.348 -20.900 3.354 1.00 0.00 H new ATOM 0 HB2 ASN A 117 110.150 -22.178 3.096 1.00 0.00 H new ATOM 0 HB3 ASN A 117 109.636 -20.960 1.946 1.00 0.00 H new ATOM 0 HD21 ASN A 117 111.233 -23.599 -0.157 1.00 0.00 H new ATOM 0 HD22 ASN A 117 109.755 -23.381 0.787 1.00 0.00 H new ATOM 1816 N GLU A 118 112.456 -18.291 2.495 1.00 0.00 N ATOM 1817 CA GLU A 118 112.778 -17.154 1.579 1.00 0.00 C ATOM 1818 C GLU A 118 114.041 -16.428 2.049 1.00 0.00 C ATOM 1819 O GLU A 118 114.221 -16.177 3.223 1.00 0.00 O ATOM 1820 CB GLU A 118 111.608 -16.154 1.570 1.00 0.00 C ATOM 1821 CG GLU A 118 110.464 -16.668 0.691 1.00 0.00 C ATOM 1822 CD GLU A 118 110.977 -16.880 -0.735 1.00 0.00 C ATOM 1823 OE1 GLU A 118 111.565 -15.956 -1.272 1.00 0.00 O ATOM 1824 OE2 GLU A 118 110.796 -17.969 -1.255 1.00 0.00 O ATOM 0 H GLU A 118 112.853 -18.218 3.432 1.00 0.00 H new ATOM 0 HA GLU A 118 112.943 -17.552 0.578 1.00 0.00 H new ATOM 0 HB2 GLU A 118 111.249 -15.997 2.587 1.00 0.00 H new ATOM 0 HB3 GLU A 118 111.952 -15.188 1.200 1.00 0.00 H new ATOM 0 HG2 GLU A 118 110.074 -17.603 1.092 1.00 0.00 H new ATOM 0 HG3 GLU A 118 109.641 -15.953 0.691 1.00 0.00 H new ATOM 1831 N LYS A 119 114.911 -16.077 1.136 1.00 0.00 N ATOM 1832 CA LYS A 119 116.155 -15.354 1.531 1.00 0.00 C ATOM 1833 C LYS A 119 115.776 -14.103 2.331 1.00 0.00 C ATOM 1834 O LYS A 119 114.860 -13.388 1.983 1.00 0.00 O ATOM 1835 CB LYS A 119 116.930 -14.942 0.273 1.00 0.00 C ATOM 1836 CG LYS A 119 117.535 -16.180 -0.396 1.00 0.00 C ATOM 1837 CD LYS A 119 118.340 -15.753 -1.627 1.00 0.00 C ATOM 1838 CE LYS A 119 119.034 -16.974 -2.235 1.00 0.00 C ATOM 1839 NZ LYS A 119 118.008 -17.922 -2.755 1.00 0.00 N ATOM 0 H LYS A 119 114.813 -16.260 0.137 1.00 0.00 H new ATOM 0 HA LYS A 119 116.780 -16.006 2.142 1.00 0.00 H new ATOM 0 HB2 LYS A 119 116.265 -14.430 -0.423 1.00 0.00 H new ATOM 0 HB3 LYS A 119 117.719 -14.238 0.536 1.00 0.00 H new ATOM 0 HG2 LYS A 119 118.179 -16.709 0.307 1.00 0.00 H new ATOM 0 HG3 LYS A 119 116.745 -16.872 -0.687 1.00 0.00 H new ATOM 0 HD2 LYS A 119 117.681 -15.292 -2.363 1.00 0.00 H new ATOM 0 HD3 LYS A 119 119.080 -15.003 -1.348 1.00 0.00 H new ATOM 0 HE2 LYS A 119 119.699 -16.664 -3.041 1.00 0.00 H new ATOM 0 HE3 LYS A 119 119.652 -17.466 -1.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 118.296 -18.898 -2.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 117.092 -17.724 -2.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 117.919 -17.806 -3.785 1.00 0.00 H new ATOM 1853 N LYS A 120 116.470 -13.839 3.404 1.00 0.00 N ATOM 1854 CA LYS A 120 116.147 -12.637 4.234 1.00 0.00 C ATOM 1855 C LYS A 120 116.854 -11.395 3.678 1.00 0.00 C ATOM 1856 O LYS A 120 118.006 -11.440 3.276 1.00 0.00 O ATOM 1857 CB LYS A 120 116.573 -12.880 5.685 1.00 0.00 C ATOM 1858 CG LYS A 120 117.901 -13.639 5.718 1.00 0.00 C ATOM 1859 CD LYS A 120 118.301 -13.907 7.170 1.00 0.00 C ATOM 1860 CE LYS A 120 119.373 -15.002 7.215 1.00 0.00 C ATOM 1861 NZ LYS A 120 118.716 -16.331 7.380 1.00 0.00 N ATOM 0 H LYS A 120 117.249 -14.403 3.745 1.00 0.00 H new ATOM 0 HA LYS A 120 115.071 -12.466 4.200 1.00 0.00 H new ATOM 0 HB2 LYS A 120 116.675 -11.929 6.207 1.00 0.00 H new ATOM 0 HB3 LYS A 120 115.805 -13.450 6.208 1.00 0.00 H new ATOM 0 HG2 LYS A 120 117.807 -14.580 5.176 1.00 0.00 H new ATOM 0 HG3 LYS A 120 118.676 -13.059 5.218 1.00 0.00 H new ATOM 0 HD2 LYS A 120 118.681 -12.993 7.628 1.00 0.00 H new ATOM 0 HD3 LYS A 120 117.429 -14.214 7.747 1.00 0.00 H new ATOM 0 HE2 LYS A 120 119.963 -14.987 6.299 1.00 0.00 H new ATOM 0 HE3 LYS A 120 120.061 -14.819 8.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 119.442 -17.075 7.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 118.171 -16.341 8.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 118.076 -16.504 6.578 1.00 0.00 H new ATOM 1875 N LEU A 121 116.165 -10.281 3.661 1.00 0.00 N ATOM 1876 CA LEU A 121 116.777 -9.020 3.144 1.00 0.00 C ATOM 1877 C LEU A 121 116.970 -8.037 4.303 1.00 0.00 C ATOM 1878 O LEU A 121 116.039 -7.730 5.019 1.00 0.00 O ATOM 1879 CB LEU A 121 115.847 -8.396 2.100 1.00 0.00 C ATOM 1880 CG LEU A 121 115.629 -9.379 0.946 1.00 0.00 C ATOM 1881 CD1 LEU A 121 114.624 -8.789 -0.045 1.00 0.00 C ATOM 1882 CD2 LEU A 121 116.959 -9.628 0.231 1.00 0.00 C ATOM 0 H LEU A 121 115.202 -10.191 3.984 1.00 0.00 H new ATOM 0 HA LEU A 121 117.742 -9.242 2.688 1.00 0.00 H new ATOM 0 HB2 LEU A 121 114.891 -8.140 2.557 1.00 0.00 H new ATOM 0 HB3 LEU A 121 116.278 -7.469 1.723 1.00 0.00 H new ATOM 0 HG LEU A 121 115.243 -10.320 1.339 1.00 0.00 H new ATOM 0 HD11 LEU A 121 114.469 -9.489 -0.866 1.00 0.00 H new ATOM 0 HD12 LEU A 121 113.676 -8.609 0.462 1.00 0.00 H new ATOM 0 HD13 LEU A 121 115.010 -7.848 -0.438 1.00 0.00 H new ATOM 0 HD21 LEU A 121 116.805 -10.328 -0.591 1.00 0.00 H new ATOM 0 HD22 LEU A 121 117.343 -8.686 -0.161 1.00 0.00 H new ATOM 0 HD23 LEU A 121 117.678 -10.048 0.935 1.00 0.00 H new ATOM 1894 N VAL A 122 118.167 -7.544 4.503 1.00 0.00 N ATOM 1895 CA VAL A 122 118.403 -6.588 5.630 1.00 0.00 C ATOM 1896 C VAL A 122 118.696 -5.181 5.091 1.00 0.00 C ATOM 1897 O VAL A 122 119.522 -4.988 4.225 1.00 0.00 O ATOM 1898 CB VAL A 122 119.602 -7.062 6.459 1.00 0.00 C ATOM 1899 CG1 VAL A 122 120.012 -5.956 7.437 1.00 0.00 C ATOM 1900 CG2 VAL A 122 119.222 -8.325 7.244 1.00 0.00 C ATOM 0 H VAL A 122 118.988 -7.761 3.938 1.00 0.00 H new ATOM 0 HA VAL A 122 117.507 -6.554 6.249 1.00 0.00 H new ATOM 0 HB VAL A 122 120.435 -7.289 5.794 1.00 0.00 H new ATOM 0 HG11 VAL A 122 120.865 -6.291 8.028 1.00 0.00 H new ATOM 0 HG12 VAL A 122 120.286 -5.060 6.879 1.00 0.00 H new ATOM 0 HG13 VAL A 122 119.177 -5.729 8.100 1.00 0.00 H new ATOM 0 HG21 VAL A 122 120.077 -8.659 7.832 1.00 0.00 H new ATOM 0 HG22 VAL A 122 118.388 -8.102 7.910 1.00 0.00 H new ATOM 0 HG23 VAL A 122 118.931 -9.112 6.548 1.00 0.00 H new ATOM 1910 N PHE A 123 118.027 -4.198 5.625 1.00 0.00 N ATOM 1911 CA PHE A 123 118.260 -2.789 5.189 1.00 0.00 C ATOM 1912 C PHE A 123 118.984 -2.066 6.325 1.00 0.00 C ATOM 1913 O PHE A 123 118.472 -1.984 7.416 1.00 0.00 O ATOM 1914 CB PHE A 123 116.905 -2.123 4.918 1.00 0.00 C ATOM 1915 CG PHE A 123 117.052 -0.620 4.931 1.00 0.00 C ATOM 1916 CD1 PHE A 123 117.763 0.022 3.917 1.00 0.00 C ATOM 1917 CD2 PHE A 123 116.465 0.131 5.958 1.00 0.00 C ATOM 1918 CE1 PHE A 123 117.892 1.415 3.925 1.00 0.00 C ATOM 1919 CE2 PHE A 123 116.592 1.524 5.967 1.00 0.00 C ATOM 1920 CZ PHE A 123 117.307 2.167 4.950 1.00 0.00 C ATOM 0 H PHE A 123 117.321 -4.310 6.353 1.00 0.00 H new ATOM 0 HA PHE A 123 118.860 -2.750 4.280 1.00 0.00 H new ATOM 0 HB2 PHE A 123 116.517 -2.450 3.953 1.00 0.00 H new ATOM 0 HB3 PHE A 123 116.182 -2.432 5.673 1.00 0.00 H new ATOM 0 HD1 PHE A 123 118.214 -0.557 3.125 1.00 0.00 H new ATOM 0 HD2 PHE A 123 115.914 -0.366 6.743 1.00 0.00 H new ATOM 0 HE1 PHE A 123 118.443 1.910 3.140 1.00 0.00 H new ATOM 0 HE2 PHE A 123 116.139 2.103 6.758 1.00 0.00 H new ATOM 0 HZ PHE A 123 117.407 3.242 4.956 1.00 0.00 H new ATOM 1930 N THR A 124 120.174 -1.558 6.097 1.00 0.00 N ATOM 1931 CA THR A 124 120.904 -0.875 7.214 1.00 0.00 C ATOM 1932 C THR A 124 121.569 0.430 6.753 1.00 0.00 C ATOM 1933 O THR A 124 122.137 0.527 5.675 1.00 0.00 O ATOM 1934 CB THR A 124 121.972 -1.824 7.761 1.00 0.00 C ATOM 1935 OG1 THR A 124 122.437 -1.337 9.011 1.00 0.00 O ATOM 1936 CG2 THR A 124 123.140 -1.906 6.778 1.00 0.00 C ATOM 0 H THR A 124 120.664 -1.585 5.203 1.00 0.00 H new ATOM 0 HA THR A 124 120.179 -0.621 7.988 1.00 0.00 H new ATOM 0 HB THR A 124 121.542 -2.817 7.892 1.00 0.00 H new ATOM 0 HG1 THR A 124 122.998 -2.017 9.439 1.00 0.00 H new ATOM 0 HG21 THR A 124 123.899 -2.583 7.170 1.00 0.00 H new ATOM 0 HG22 THR A 124 122.782 -2.279 5.818 1.00 0.00 H new ATOM 0 HG23 THR A 124 123.573 -0.915 6.643 1.00 0.00 H new ATOM 1944 N VAL A 125 121.533 1.425 7.602 1.00 0.00 N ATOM 1945 CA VAL A 125 122.181 2.728 7.284 1.00 0.00 C ATOM 1946 C VAL A 125 122.933 3.201 8.532 1.00 0.00 C ATOM 1947 O VAL A 125 122.613 2.804 9.639 1.00 0.00 O ATOM 1948 CB VAL A 125 121.117 3.758 6.891 1.00 0.00 C ATOM 1949 CG1 VAL A 125 120.128 3.123 5.914 1.00 0.00 C ATOM 1950 CG2 VAL A 125 120.367 4.223 8.140 1.00 0.00 C ATOM 0 H VAL A 125 121.076 1.387 8.513 1.00 0.00 H new ATOM 0 HA VAL A 125 122.872 2.613 6.449 1.00 0.00 H new ATOM 0 HB VAL A 125 121.600 4.613 6.418 1.00 0.00 H new ATOM 0 HG11 VAL A 125 119.371 3.856 5.635 1.00 0.00 H new ATOM 0 HG12 VAL A 125 120.660 2.792 5.022 1.00 0.00 H new ATOM 0 HG13 VAL A 125 119.647 2.267 6.388 1.00 0.00 H new ATOM 0 HG21 VAL A 125 119.611 4.956 7.859 1.00 0.00 H new ATOM 0 HG22 VAL A 125 119.885 3.368 8.615 1.00 0.00 H new ATOM 0 HG23 VAL A 125 121.070 4.677 8.838 1.00 0.00 H new ATOM 1960 N GLU A 126 123.929 4.039 8.373 1.00 0.00 N ATOM 1961 CA GLU A 126 124.699 4.517 9.564 1.00 0.00 C ATOM 1962 C GLU A 126 124.752 6.046 9.582 1.00 0.00 C ATOM 1963 O GLU A 126 124.711 6.694 8.554 1.00 0.00 O ATOM 1964 CB GLU A 126 126.126 3.967 9.495 1.00 0.00 C ATOM 1965 CG GLU A 126 126.899 4.398 10.742 1.00 0.00 C ATOM 1966 CD GLU A 126 128.317 3.827 10.690 1.00 0.00 C ATOM 1967 OE1 GLU A 126 128.705 3.353 9.634 1.00 0.00 O ATOM 1968 OE2 GLU A 126 128.991 3.872 11.706 1.00 0.00 O ATOM 0 H GLU A 126 124.241 4.411 7.476 1.00 0.00 H new ATOM 0 HA GLU A 126 124.205 4.167 10.470 1.00 0.00 H new ATOM 0 HB2 GLU A 126 126.105 2.879 9.425 1.00 0.00 H new ATOM 0 HB3 GLU A 126 126.626 4.335 8.599 1.00 0.00 H new ATOM 0 HG2 GLU A 126 126.936 5.486 10.801 1.00 0.00 H new ATOM 0 HG3 GLU A 126 126.388 4.047 11.638 1.00 0.00 H new ATOM 1975 N ALA A 127 124.842 6.624 10.750 1.00 0.00 N ATOM 1976 CA ALA A 127 124.902 8.110 10.849 1.00 0.00 C ATOM 1977 C ALA A 127 125.617 8.504 12.144 1.00 0.00 C ATOM 1978 O ALA A 127 126.386 9.450 12.108 1.00 0.00 O ATOM 1979 CB ALA A 127 123.483 8.684 10.856 1.00 0.00 C ATOM 1980 OXT ALA A 127 125.382 7.852 13.151 1.00 0.00 O ATOM 0 H ALA A 127 124.877 6.129 11.641 1.00 0.00 H new ATOM 0 HA ALA A 127 125.448 8.508 9.993 1.00 0.00 H new ATOM 0 HB1 ALA A 127 123.530 9.771 10.928 1.00 0.00 H new ATOM 0 HB2 ALA A 127 122.973 8.404 9.935 1.00 0.00 H new ATOM 0 HB3 ALA A 127 122.934 8.287 11.710 1.00 0.00 H new TER 1986 ALA A 127