USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 974 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 84 THR OG1 : rot -60:sc= 0.169 USER MOD Set 1.2: A 89 ASN : amide:sc= -0.539 K(o=-0.37,f=-1.4!) USER MOD Set 2.1: A 41 ASN : amide:sc= -0.502 X(o=-0.39,f=-0.79) USER MOD Set 2.2: A 43 SER OG : rot 72:sc= 0.115 USER MOD Set 3.1: A 17 ASN : amide:sc= -0.424 K(o=0.63,f=-1.9!) USER MOD Set 3.2: A 19 SER OG : rot -123:sc= 1.06 USER MOD Single : A 1 MET CE :methyl -144:sc= -0.234 (180deg=-1.34!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0.254 USER MOD Single : A 9 SER OG : rot -159:sc= -0.061 USER MOD Single : A -1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -3 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -3.02! C(o=-3!,f=-5.8!) USER MOD Single : A 16 ASN : amide:sc= -1.36 K(o=-1.4,f=-4.7!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -64:sc= 0.732 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -49:sc= 0.983 USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 44 THR OG1 : rot -150:sc= -0.104 USER MOD Single : A 45 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.0513) USER MOD Single : A 46 SER OG : rot 12:sc= 0.967 USER MOD Single : A 49 THR OG1 : rot -75:sc= -0.633 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.0988) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=-0.0092) USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -0.828 K(o=-0.83,f=-3.2!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.00318 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -150:sc= -0.767 USER MOD Single : A 74 THR OG1 : rot 180:sc=0.000496 USER MOD Single : A 75 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 167:sc=-0.00839 (180deg=-0.108) USER MOD Single : A 81 SER OG : rot -70:sc= 0.61 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0.161 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.111) USER MOD Single : A 90 LYS NZ :NH3+ -127:sc= 0 (180deg=-0.0088) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl -143:sc= -0.13 (180deg=-1.25) USER MOD Single : A 95 CYS SG : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 120 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.0499) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 124.866 1.509 0.097 1.00 0.00 N ATOM 2 CA GLY A -3 123.391 1.401 0.288 1.00 0.00 C ATOM 3 C GLY A -3 122.915 2.504 1.235 1.00 0.00 C ATOM 4 O GLY A -3 122.167 3.383 0.851 1.00 0.00 O ATOM 0 H1 GLY A -3 125.189 0.759 -0.547 1.00 0.00 H new ATOM 0 H2 GLY A -3 125.096 2.438 -0.311 1.00 0.00 H new ATOM 0 H3 GLY A -3 125.343 1.406 1.015 1.00 0.00 H new ATOM 0 HA2 GLY A -3 122.882 1.487 -0.672 1.00 0.00 H new ATOM 0 HA3 GLY A -3 123.137 0.423 0.696 1.00 0.00 H new ATOM 10 N ALA A -2 123.347 2.460 2.480 1.00 0.00 N ATOM 11 CA ALA A -2 122.934 3.499 3.488 1.00 0.00 C ATOM 12 C ALA A -2 121.406 3.639 3.544 1.00 0.00 C ATOM 13 O ALA A -2 120.685 2.909 2.889 1.00 0.00 O ATOM 14 CB ALA A -2 123.577 4.809 3.018 1.00 0.00 C ATOM 0 H ALA A -2 123.974 1.742 2.843 1.00 0.00 H new ATOM 0 HA ALA A -2 123.256 3.226 4.493 1.00 0.00 H new ATOM 0 HB1 ALA A -2 123.316 5.611 3.709 1.00 0.00 H new ATOM 0 HB2 ALA A -2 124.660 4.693 2.989 1.00 0.00 H new ATOM 0 HB3 ALA A -2 123.212 5.056 2.021 1.00 0.00 H new ATOM 20 N MET A -1 120.916 4.572 4.324 1.00 0.00 N ATOM 21 CA MET A -1 119.438 4.771 4.434 1.00 0.00 C ATOM 22 C MET A -1 119.015 6.046 3.695 1.00 0.00 C ATOM 23 O MET A -1 118.075 6.714 4.086 1.00 0.00 O ATOM 24 CB MET A -1 119.167 4.905 5.933 1.00 0.00 C ATOM 25 CG MET A -1 119.437 3.566 6.624 1.00 0.00 C ATOM 26 SD MET A -1 118.961 3.679 8.366 1.00 0.00 S ATOM 27 CE MET A -1 119.562 2.048 8.872 1.00 0.00 C ATOM 0 H MET A -1 121.479 5.206 4.891 1.00 0.00 H new ATOM 0 HA MET A -1 118.878 3.948 3.990 1.00 0.00 H new ATOM 0 HB2 MET A -1 119.802 5.681 6.360 1.00 0.00 H new ATOM 0 HB3 MET A -1 118.134 5.211 6.100 1.00 0.00 H new ATOM 0 HG2 MET A -1 118.875 2.772 6.133 1.00 0.00 H new ATOM 0 HG3 MET A -1 120.493 3.308 6.540 1.00 0.00 H new ATOM 0 HE1 MET A -1 119.367 1.902 9.934 1.00 0.00 H new ATOM 0 HE2 MET A -1 119.047 1.277 8.299 1.00 0.00 H new ATOM 0 HE3 MET A -1 120.634 1.982 8.687 1.00 0.00 H new ATOM 37 N GLY A 0 119.704 6.385 2.631 1.00 0.00 N ATOM 38 CA GLY A 0 119.359 7.621 1.861 1.00 0.00 C ATOM 39 C GLY A 0 117.977 7.466 1.220 1.00 0.00 C ATOM 40 O GLY A 0 117.221 8.415 1.124 1.00 0.00 O ATOM 0 H GLY A 0 120.494 5.856 2.262 1.00 0.00 H new ATOM 0 HA2 GLY A 0 119.367 8.487 2.523 1.00 0.00 H new ATOM 0 HA3 GLY A 0 120.109 7.801 1.091 1.00 0.00 H new ATOM 44 N MET A 1 117.648 6.274 0.781 1.00 0.00 N ATOM 45 CA MET A 1 116.311 6.039 0.155 1.00 0.00 C ATOM 46 C MET A 1 115.432 5.202 1.088 1.00 0.00 C ATOM 47 O MET A 1 115.907 4.296 1.749 1.00 0.00 O ATOM 48 CB MET A 1 116.609 5.272 -1.135 1.00 0.00 C ATOM 49 CG MET A 1 115.339 5.184 -1.983 1.00 0.00 C ATOM 50 SD MET A 1 115.645 4.127 -3.420 1.00 0.00 S ATOM 51 CE MET A 1 116.910 5.161 -4.196 1.00 0.00 C ATOM 0 H MET A 1 118.251 5.453 0.830 1.00 0.00 H new ATOM 0 HA MET A 1 115.774 6.968 -0.038 1.00 0.00 H new ATOM 0 HB2 MET A 1 117.398 5.774 -1.695 1.00 0.00 H new ATOM 0 HB3 MET A 1 116.972 4.271 -0.900 1.00 0.00 H new ATOM 0 HG2 MET A 1 114.519 4.780 -1.389 1.00 0.00 H new ATOM 0 HG3 MET A 1 115.036 6.179 -2.308 1.00 0.00 H new ATOM 0 HE1 MET A 1 116.804 5.114 -5.280 1.00 0.00 H new ATOM 0 HE2 MET A 1 116.791 6.192 -3.864 1.00 0.00 H new ATOM 0 HE3 MET A 1 117.899 4.801 -3.912 1.00 0.00 H new ATOM 61 N SER A 2 114.156 5.499 1.144 1.00 0.00 N ATOM 62 CA SER A 2 113.238 4.741 2.047 1.00 0.00 C ATOM 63 C SER A 2 112.157 4.026 1.230 1.00 0.00 C ATOM 64 O SER A 2 111.706 4.523 0.215 1.00 0.00 O ATOM 65 CB SER A 2 112.611 5.801 2.953 1.00 0.00 C ATOM 66 OG SER A 2 113.640 6.497 3.642 1.00 0.00 O ATOM 0 H SER A 2 113.710 6.238 0.600 1.00 0.00 H new ATOM 0 HA SER A 2 113.762 3.974 2.617 1.00 0.00 H new ATOM 0 HB2 SER A 2 112.018 6.498 2.361 1.00 0.00 H new ATOM 0 HB3 SER A 2 111.933 5.332 3.666 1.00 0.00 H new ATOM 0 HG SER A 2 113.242 7.179 4.223 1.00 0.00 H new ATOM 72 N VAL A 3 111.745 2.862 1.671 1.00 0.00 N ATOM 73 CA VAL A 3 110.675 2.105 0.939 1.00 0.00 C ATOM 74 C VAL A 3 109.333 2.845 1.051 1.00 0.00 C ATOM 75 O VAL A 3 108.494 2.752 0.173 1.00 0.00 O ATOM 76 CB VAL A 3 110.601 0.727 1.622 1.00 0.00 C ATOM 77 CG1 VAL A 3 109.535 -0.138 0.942 1.00 0.00 C ATOM 78 CG2 VAL A 3 111.958 0.021 1.514 1.00 0.00 C ATOM 0 H VAL A 3 112.103 2.401 2.508 1.00 0.00 H new ATOM 0 HA VAL A 3 110.896 2.009 -0.124 1.00 0.00 H new ATOM 0 HB VAL A 3 110.341 0.869 2.671 1.00 0.00 H new ATOM 0 HG11 VAL A 3 109.489 -1.111 1.431 1.00 0.00 H new ATOM 0 HG12 VAL A 3 108.565 0.353 1.019 1.00 0.00 H new ATOM 0 HG13 VAL A 3 109.791 -0.272 -0.109 1.00 0.00 H new ATOM 0 HG21 VAL A 3 111.901 -0.954 1.999 1.00 0.00 H new ATOM 0 HG22 VAL A 3 112.217 -0.111 0.463 1.00 0.00 H new ATOM 0 HG23 VAL A 3 112.722 0.625 2.003 1.00 0.00 H new ATOM 88 N ALA A 4 109.127 3.577 2.123 1.00 0.00 N ATOM 89 CA ALA A 4 107.821 4.289 2.323 1.00 0.00 C ATOM 90 C ALA A 4 107.571 5.295 1.190 1.00 0.00 C ATOM 91 O ALA A 4 106.439 5.570 0.838 1.00 0.00 O ATOM 92 CB ALA A 4 107.957 5.022 3.660 1.00 0.00 C ATOM 0 H ALA A 4 109.809 3.712 2.870 1.00 0.00 H new ATOM 0 HA ALA A 4 106.982 3.594 2.321 1.00 0.00 H new ATOM 0 HB1 ALA A 4 107.037 5.566 3.872 1.00 0.00 H new ATOM 0 HB2 ALA A 4 108.142 4.299 4.454 1.00 0.00 H new ATOM 0 HB3 ALA A 4 108.789 5.724 3.607 1.00 0.00 H new ATOM 98 N ASP A 5 108.621 5.840 0.620 1.00 0.00 N ATOM 99 CA ASP A 5 108.452 6.816 -0.507 1.00 0.00 C ATOM 100 C ASP A 5 107.814 6.125 -1.719 1.00 0.00 C ATOM 101 O ASP A 5 106.972 6.691 -2.392 1.00 0.00 O ATOM 102 CB ASP A 5 109.866 7.296 -0.852 1.00 0.00 C ATOM 103 CG ASP A 5 110.440 8.097 0.321 1.00 0.00 C ATOM 104 OD1 ASP A 5 109.699 8.867 0.910 1.00 0.00 O ATOM 105 OD2 ASP A 5 111.613 7.927 0.609 1.00 0.00 O ATOM 0 H ASP A 5 109.588 5.652 0.886 1.00 0.00 H new ATOM 0 HA ASP A 5 107.800 7.645 -0.229 1.00 0.00 H new ATOM 0 HB2 ASP A 5 110.507 6.442 -1.070 1.00 0.00 H new ATOM 0 HB3 ASP A 5 109.842 7.914 -1.750 1.00 0.00 H new ATOM 110 N PHE A 6 108.212 4.907 -1.995 1.00 0.00 N ATOM 111 CA PHE A 6 107.616 4.156 -3.145 1.00 0.00 C ATOM 112 C PHE A 6 106.300 3.492 -2.723 1.00 0.00 C ATOM 113 O PHE A 6 105.396 3.333 -3.523 1.00 0.00 O ATOM 114 CB PHE A 6 108.654 3.097 -3.522 1.00 0.00 C ATOM 115 CG PHE A 6 109.946 3.682 -4.045 1.00 0.00 C ATOM 116 CD1 PHE A 6 110.998 3.988 -3.150 1.00 0.00 C ATOM 117 CD2 PHE A 6 110.102 3.922 -5.432 1.00 0.00 C ATOM 118 CE1 PHE A 6 112.209 4.535 -3.640 1.00 0.00 C ATOM 119 CE2 PHE A 6 111.313 4.470 -5.923 1.00 0.00 C ATOM 120 CZ PHE A 6 112.366 4.777 -5.028 1.00 0.00 C ATOM 0 H PHE A 6 108.926 4.399 -1.472 1.00 0.00 H new ATOM 0 HA PHE A 6 107.386 4.813 -3.984 1.00 0.00 H new ATOM 0 HB2 PHE A 6 108.870 2.483 -2.648 1.00 0.00 H new ATOM 0 HB3 PHE A 6 108.230 2.437 -4.279 1.00 0.00 H new ATOM 0 HD1 PHE A 6 110.878 3.804 -2.093 1.00 0.00 H new ATOM 0 HD2 PHE A 6 109.299 3.688 -6.115 1.00 0.00 H new ATOM 0 HE1 PHE A 6 113.012 4.768 -2.957 1.00 0.00 H new ATOM 0 HE2 PHE A 6 111.433 4.654 -6.981 1.00 0.00 H new ATOM 0 HZ PHE A 6 113.289 5.195 -5.402 1.00 0.00 H new ATOM 130 N TYR A 7 106.190 3.105 -1.473 1.00 0.00 N ATOM 131 CA TYR A 7 104.924 2.466 -0.983 1.00 0.00 C ATOM 132 C TYR A 7 103.775 3.481 -1.012 1.00 0.00 C ATOM 133 O TYR A 7 103.925 4.611 -0.583 1.00 0.00 O ATOM 134 CB TYR A 7 105.218 2.023 0.457 1.00 0.00 C ATOM 135 CG TYR A 7 105.665 0.580 0.584 1.00 0.00 C ATOM 136 CD1 TYR A 7 106.525 0.003 -0.387 1.00 0.00 C ATOM 137 CD2 TYR A 7 105.229 -0.194 1.688 1.00 0.00 C ATOM 138 CE1 TYR A 7 106.945 -1.343 -0.252 1.00 0.00 C ATOM 139 CE2 TYR A 7 105.647 -1.540 1.821 1.00 0.00 C ATOM 140 CZ TYR A 7 106.505 -2.114 0.852 1.00 0.00 C ATOM 141 OH TYR A 7 106.915 -3.424 0.988 1.00 0.00 O ATOM 0 H TYR A 7 106.922 3.204 -0.770 1.00 0.00 H new ATOM 0 HA TYR A 7 104.623 1.625 -1.607 1.00 0.00 H new ATOM 0 HB2 TYR A 7 105.991 2.669 0.873 1.00 0.00 H new ATOM 0 HB3 TYR A 7 104.322 2.169 1.060 1.00 0.00 H new ATOM 0 HD1 TYR A 7 106.859 0.591 -1.229 1.00 0.00 H new ATOM 0 HD2 TYR A 7 104.577 0.244 2.429 1.00 0.00 H new ATOM 0 HE1 TYR A 7 107.600 -1.781 -0.990 1.00 0.00 H new ATOM 0 HE2 TYR A 7 105.311 -2.129 2.662 1.00 0.00 H new ATOM 0 HH TYR A 7 106.522 -3.807 1.800 1.00 0.00 H new ATOM 151 N GLY A 8 102.634 3.080 -1.514 1.00 0.00 N ATOM 152 CA GLY A 8 101.476 4.018 -1.613 1.00 0.00 C ATOM 153 C GLY A 8 101.605 4.905 -2.864 1.00 0.00 C ATOM 154 O GLY A 8 100.793 5.786 -3.082 1.00 0.00 O ATOM 0 H GLY A 8 102.455 2.138 -1.861 1.00 0.00 H new ATOM 0 HA2 GLY A 8 100.545 3.452 -1.656 1.00 0.00 H new ATOM 0 HA3 GLY A 8 101.429 4.642 -0.721 1.00 0.00 H new ATOM 158 N SER A 9 102.611 4.685 -3.686 1.00 0.00 N ATOM 159 CA SER A 9 102.776 5.524 -4.913 1.00 0.00 C ATOM 160 C SER A 9 101.967 4.932 -6.069 1.00 0.00 C ATOM 161 O SER A 9 101.847 3.728 -6.196 1.00 0.00 O ATOM 162 CB SER A 9 104.272 5.485 -5.230 1.00 0.00 C ATOM 163 OG SER A 9 104.997 6.054 -4.148 1.00 0.00 O ATOM 0 H SER A 9 103.320 3.963 -3.557 1.00 0.00 H new ATOM 0 HA SER A 9 102.421 6.544 -4.764 1.00 0.00 H new ATOM 0 HB2 SER A 9 104.593 4.457 -5.397 1.00 0.00 H new ATOM 0 HB3 SER A 9 104.475 6.036 -6.148 1.00 0.00 H new ATOM 0 HG SER A 9 105.882 6.337 -4.460 1.00 0.00 H new ATOM 169 N ASN A 10 101.413 5.769 -6.910 1.00 0.00 N ATOM 170 CA ASN A 10 100.643 5.260 -8.087 1.00 0.00 C ATOM 171 C ASN A 10 101.559 5.183 -9.309 1.00 0.00 C ATOM 172 O ASN A 10 102.036 6.190 -9.800 1.00 0.00 O ATOM 173 CB ASN A 10 99.532 6.287 -8.319 1.00 0.00 C ATOM 174 CG ASN A 10 98.573 6.295 -7.127 1.00 0.00 C ATOM 175 OD1 ASN A 10 98.998 6.368 -5.990 1.00 0.00 O ATOM 176 ND2 ASN A 10 97.287 6.223 -7.338 1.00 0.00 N ATOM 0 H ASN A 10 101.461 6.785 -6.832 1.00 0.00 H new ATOM 0 HA ASN A 10 100.240 4.262 -7.917 1.00 0.00 H new ATOM 0 HB2 ASN A 10 99.964 7.278 -8.456 1.00 0.00 H new ATOM 0 HB3 ASN A 10 98.988 6.047 -9.233 1.00 0.00 H new ATOM 0 HD21 ASN A 10 96.640 6.228 -6.550 1.00 0.00 H new ATOM 0 HD22 ASN A 10 96.929 6.162 -8.291 1.00 0.00 H new ATOM 183 N VAL A 11 101.803 3.995 -9.797 1.00 0.00 N ATOM 184 CA VAL A 11 102.683 3.830 -10.995 1.00 0.00 C ATOM 185 C VAL A 11 101.995 2.923 -12.019 1.00 0.00 C ATOM 186 O VAL A 11 101.061 2.215 -11.689 1.00 0.00 O ATOM 187 CB VAL A 11 103.978 3.177 -10.472 1.00 0.00 C ATOM 188 CG1 VAL A 11 104.663 4.120 -9.481 1.00 0.00 C ATOM 189 CG2 VAL A 11 103.665 1.848 -9.767 1.00 0.00 C ATOM 0 H VAL A 11 101.429 3.126 -9.416 1.00 0.00 H new ATOM 0 HA VAL A 11 102.890 4.779 -11.489 1.00 0.00 H new ATOM 0 HB VAL A 11 104.636 2.984 -11.319 1.00 0.00 H new ATOM 0 HG11 VAL A 11 105.578 3.657 -9.112 1.00 0.00 H new ATOM 0 HG12 VAL A 11 104.906 5.058 -9.980 1.00 0.00 H new ATOM 0 HG13 VAL A 11 103.993 4.317 -8.644 1.00 0.00 H new ATOM 0 HG21 VAL A 11 104.591 1.402 -9.405 1.00 0.00 H new ATOM 0 HG22 VAL A 11 102.997 2.031 -8.926 1.00 0.00 H new ATOM 0 HG23 VAL A 11 103.185 1.167 -10.470 1.00 0.00 H new ATOM 199 N GLU A 12 102.439 2.939 -13.254 1.00 0.00 N ATOM 200 CA GLU A 12 102.008 1.870 -14.204 1.00 0.00 C ATOM 201 C GLU A 12 103.228 1.082 -14.680 1.00 0.00 C ATOM 202 O GLU A 12 104.285 1.638 -14.907 1.00 0.00 O ATOM 203 CB GLU A 12 101.366 2.604 -15.380 1.00 0.00 C ATOM 204 CG GLU A 12 100.725 1.590 -16.333 1.00 0.00 C ATOM 205 CD GLU A 12 100.282 2.297 -17.614 1.00 0.00 C ATOM 206 OE1 GLU A 12 101.079 2.367 -18.534 1.00 0.00 O ATOM 207 OE2 GLU A 12 99.152 2.756 -17.652 1.00 0.00 O ATOM 0 H GLU A 12 103.074 3.638 -13.640 1.00 0.00 H new ATOM 0 HA GLU A 12 101.317 1.165 -13.743 1.00 0.00 H new ATOM 0 HB2 GLU A 12 100.613 3.303 -15.017 1.00 0.00 H new ATOM 0 HB3 GLU A 12 102.117 3.191 -15.909 1.00 0.00 H new ATOM 0 HG2 GLU A 12 101.436 0.799 -16.570 1.00 0.00 H new ATOM 0 HG3 GLU A 12 99.869 1.116 -15.853 1.00 0.00 H new ATOM 214 N VAL A 13 103.085 -0.210 -14.828 1.00 0.00 N ATOM 215 CA VAL A 13 104.206 -1.036 -15.365 1.00 0.00 C ATOM 216 C VAL A 13 103.692 -1.914 -16.509 1.00 0.00 C ATOM 217 O VAL A 13 102.652 -2.539 -16.391 1.00 0.00 O ATOM 218 CB VAL A 13 104.682 -1.887 -14.172 1.00 0.00 C ATOM 219 CG1 VAL A 13 103.627 -2.935 -13.791 1.00 0.00 C ATOM 220 CG2 VAL A 13 105.978 -2.603 -14.545 1.00 0.00 C ATOM 0 H VAL A 13 102.237 -0.729 -14.599 1.00 0.00 H new ATOM 0 HA VAL A 13 105.021 -0.436 -15.770 1.00 0.00 H new ATOM 0 HB VAL A 13 104.845 -1.225 -13.321 1.00 0.00 H new ATOM 0 HG11 VAL A 13 103.987 -3.523 -12.946 1.00 0.00 H new ATOM 0 HG12 VAL A 13 102.699 -2.434 -13.515 1.00 0.00 H new ATOM 0 HG13 VAL A 13 103.445 -3.594 -14.640 1.00 0.00 H new ATOM 0 HG21 VAL A 13 106.316 -3.206 -13.702 1.00 0.00 H new ATOM 0 HG22 VAL A 13 105.802 -3.249 -15.405 1.00 0.00 H new ATOM 0 HG23 VAL A 13 106.742 -1.866 -14.794 1.00 0.00 H new ATOM 230 N LEU A 14 104.399 -1.969 -17.609 1.00 0.00 N ATOM 231 CA LEU A 14 103.987 -2.914 -18.690 1.00 0.00 C ATOM 232 C LEU A 14 104.662 -4.260 -18.478 1.00 0.00 C ATOM 233 O LEU A 14 105.840 -4.330 -18.177 1.00 0.00 O ATOM 234 CB LEU A 14 104.438 -2.328 -20.038 1.00 0.00 C ATOM 235 CG LEU A 14 104.035 -0.847 -20.229 1.00 0.00 C ATOM 236 CD1 LEU A 14 103.815 -0.602 -21.726 1.00 0.00 C ATOM 237 CD2 LEU A 14 102.748 -0.495 -19.465 1.00 0.00 C ATOM 0 H LEU A 14 105.230 -1.411 -17.804 1.00 0.00 H new ATOM 0 HA LEU A 14 102.906 -3.051 -18.675 1.00 0.00 H new ATOM 0 HB2 LEU A 14 105.521 -2.416 -20.120 1.00 0.00 H new ATOM 0 HB3 LEU A 14 104.009 -2.921 -20.846 1.00 0.00 H new ATOM 0 HG LEU A 14 104.832 -0.217 -19.834 1.00 0.00 H new ATOM 0 HD11 LEU A 14 103.529 0.438 -21.886 1.00 0.00 H new ATOM 0 HD12 LEU A 14 104.737 -0.813 -22.269 1.00 0.00 H new ATOM 0 HD13 LEU A 14 103.022 -1.256 -22.089 1.00 0.00 H new ATOM 0 HD21 LEU A 14 102.503 0.555 -19.628 1.00 0.00 H new ATOM 0 HD22 LEU A 14 101.929 -1.118 -19.825 1.00 0.00 H new ATOM 0 HD23 LEU A 14 102.897 -0.671 -18.400 1.00 0.00 H new ATOM 249 N LEU A 15 103.925 -5.326 -18.629 1.00 0.00 N ATOM 250 CA LEU A 15 104.540 -6.678 -18.490 1.00 0.00 C ATOM 251 C LEU A 15 105.185 -7.100 -19.814 1.00 0.00 C ATOM 252 O LEU A 15 105.093 -6.405 -20.808 1.00 0.00 O ATOM 253 CB LEU A 15 103.389 -7.622 -18.125 1.00 0.00 C ATOM 254 CG LEU A 15 102.788 -7.214 -16.775 1.00 0.00 C ATOM 255 CD1 LEU A 15 101.492 -7.992 -16.539 1.00 0.00 C ATOM 256 CD2 LEU A 15 103.781 -7.534 -15.656 1.00 0.00 C ATOM 0 H LEU A 15 102.927 -5.321 -18.842 1.00 0.00 H new ATOM 0 HA LEU A 15 105.323 -6.694 -17.732 1.00 0.00 H new ATOM 0 HB2 LEU A 15 102.622 -7.591 -18.899 1.00 0.00 H new ATOM 0 HB3 LEU A 15 103.751 -8.649 -18.076 1.00 0.00 H new ATOM 0 HG LEU A 15 102.577 -6.145 -16.781 1.00 0.00 H new ATOM 0 HD11 LEU A 15 101.064 -7.703 -15.579 1.00 0.00 H new ATOM 0 HD12 LEU A 15 100.783 -7.767 -17.335 1.00 0.00 H new ATOM 0 HD13 LEU A 15 101.705 -9.061 -16.534 1.00 0.00 H new ATOM 0 HD21 LEU A 15 103.354 -7.244 -14.696 1.00 0.00 H new ATOM 0 HD22 LEU A 15 103.991 -8.603 -15.651 1.00 0.00 H new ATOM 0 HD23 LEU A 15 104.707 -6.983 -15.822 1.00 0.00 H new ATOM 268 N ASN A 16 105.836 -8.237 -19.826 1.00 0.00 N ATOM 269 CA ASN A 16 106.573 -8.698 -21.055 1.00 0.00 C ATOM 270 C ASN A 16 105.633 -8.812 -22.267 1.00 0.00 C ATOM 271 O ASN A 16 106.074 -8.772 -23.402 1.00 0.00 O ATOM 272 CB ASN A 16 107.161 -10.074 -20.695 1.00 0.00 C ATOM 273 CG ASN A 16 106.042 -11.046 -20.296 1.00 0.00 C ATOM 274 OD1 ASN A 16 105.146 -11.312 -21.071 1.00 0.00 O ATOM 275 ND2 ASN A 16 106.059 -11.589 -19.109 1.00 0.00 N ATOM 0 H ASN A 16 105.892 -8.875 -19.032 1.00 0.00 H new ATOM 0 HA ASN A 16 107.347 -7.985 -21.338 1.00 0.00 H new ATOM 0 HB2 ASN A 16 107.713 -10.474 -21.545 1.00 0.00 H new ATOM 0 HB3 ASN A 16 107.871 -9.970 -19.874 1.00 0.00 H new ATOM 0 HD21 ASN A 16 105.320 -12.236 -18.834 1.00 0.00 H new ATOM 0 HD22 ASN A 16 106.811 -11.366 -18.457 1.00 0.00 H new ATOM 282 N ASN A 17 104.351 -8.952 -22.036 1.00 0.00 N ATOM 283 CA ASN A 17 103.400 -9.171 -23.172 1.00 0.00 C ATOM 284 C ASN A 17 102.681 -7.866 -23.558 1.00 0.00 C ATOM 285 O ASN A 17 101.589 -7.898 -24.093 1.00 0.00 O ATOM 286 CB ASN A 17 102.401 -10.228 -22.670 1.00 0.00 C ATOM 287 CG ASN A 17 101.644 -9.720 -21.436 1.00 0.00 C ATOM 288 OD1 ASN A 17 100.654 -9.029 -21.560 1.00 0.00 O ATOM 289 ND2 ASN A 17 102.074 -10.039 -20.246 1.00 0.00 N ATOM 0 H ASN A 17 103.921 -8.924 -21.111 1.00 0.00 H new ATOM 0 HA ASN A 17 103.919 -9.502 -24.071 1.00 0.00 H new ATOM 0 HB2 ASN A 17 101.693 -10.471 -23.462 1.00 0.00 H new ATOM 0 HB3 ASN A 17 102.931 -11.148 -22.424 1.00 0.00 H new ATOM 0 HD21 ASN A 17 101.578 -9.708 -19.419 1.00 0.00 H new ATOM 0 HD22 ASN A 17 102.906 -10.620 -20.143 1.00 0.00 H new ATOM 296 N ASP A 18 103.280 -6.716 -23.290 1.00 0.00 N ATOM 297 CA ASP A 18 102.724 -5.412 -23.793 1.00 0.00 C ATOM 298 C ASP A 18 101.295 -5.191 -23.278 1.00 0.00 C ATOM 299 O ASP A 18 100.511 -4.494 -23.895 1.00 0.00 O ATOM 300 CB ASP A 18 102.738 -5.502 -25.327 1.00 0.00 C ATOM 301 CG ASP A 18 104.181 -5.618 -25.825 1.00 0.00 C ATOM 302 OD1 ASP A 18 105.029 -4.915 -25.297 1.00 0.00 O ATOM 303 OD2 ASP A 18 104.415 -6.406 -26.726 1.00 0.00 O ATOM 0 H ASP A 18 104.135 -6.630 -22.741 1.00 0.00 H new ATOM 0 HA ASP A 18 103.319 -4.570 -23.439 1.00 0.00 H new ATOM 0 HB2 ASP A 18 102.159 -6.365 -25.655 1.00 0.00 H new ATOM 0 HB3 ASP A 18 102.265 -4.619 -25.757 1.00 0.00 H new ATOM 308 N SER A 19 100.953 -5.781 -22.155 1.00 0.00 N ATOM 309 CA SER A 19 99.684 -5.406 -21.468 1.00 0.00 C ATOM 310 C SER A 19 100.006 -4.451 -20.321 1.00 0.00 C ATOM 311 O SER A 19 100.909 -4.697 -19.541 1.00 0.00 O ATOM 312 CB SER A 19 99.106 -6.718 -20.937 1.00 0.00 C ATOM 313 OG SER A 19 99.955 -7.226 -19.915 1.00 0.00 O ATOM 0 H SER A 19 101.500 -6.505 -21.689 1.00 0.00 H new ATOM 0 HA SER A 19 98.976 -4.905 -22.128 1.00 0.00 H new ATOM 0 HB2 SER A 19 98.103 -6.554 -20.544 1.00 0.00 H new ATOM 0 HB3 SER A 19 99.017 -7.443 -21.746 1.00 0.00 H new ATOM 0 HG SER A 19 100.243 -8.133 -20.150 1.00 0.00 H new ATOM 319 N LYS A 20 99.279 -3.371 -20.209 1.00 0.00 N ATOM 320 CA LYS A 20 99.669 -2.304 -19.236 1.00 0.00 C ATOM 321 C LYS A 20 98.677 -2.257 -18.071 1.00 0.00 C ATOM 322 O LYS A 20 97.482 -2.391 -18.256 1.00 0.00 O ATOM 323 CB LYS A 20 99.617 -0.981 -20.024 1.00 0.00 C ATOM 324 CG LYS A 20 100.308 -1.127 -21.391 1.00 0.00 C ATOM 325 CD LYS A 20 100.401 0.243 -22.066 1.00 0.00 C ATOM 326 CE LYS A 20 100.977 0.079 -23.474 1.00 0.00 C ATOM 327 NZ LYS A 20 101.238 1.468 -23.946 1.00 0.00 N ATOM 0 H LYS A 20 98.434 -3.180 -20.747 1.00 0.00 H new ATOM 0 HA LYS A 20 100.658 -2.489 -18.815 1.00 0.00 H new ATOM 0 HB2 LYS A 20 98.579 -0.679 -20.167 1.00 0.00 H new ATOM 0 HB3 LYS A 20 100.102 -0.192 -19.450 1.00 0.00 H new ATOM 0 HG2 LYS A 20 101.305 -1.549 -21.263 1.00 0.00 H new ATOM 0 HG3 LYS A 20 99.748 -1.817 -22.022 1.00 0.00 H new ATOM 0 HD2 LYS A 20 99.414 0.703 -22.116 1.00 0.00 H new ATOM 0 HD3 LYS A 20 101.033 0.908 -21.478 1.00 0.00 H new ATOM 0 HE2 LYS A 20 101.893 -0.512 -23.460 1.00 0.00 H new ATOM 0 HE3 LYS A 20 100.275 -0.436 -24.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 101.635 1.439 -24.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 100.347 2.005 -23.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 101.914 1.931 -23.306 1.00 0.00 H new ATOM 341 N ALA A 21 99.173 -2.069 -16.871 1.00 0.00 N ATOM 342 CA ALA A 21 98.270 -1.931 -15.686 1.00 0.00 C ATOM 343 C ALA A 21 98.826 -0.878 -14.722 1.00 0.00 C ATOM 344 O ALA A 21 100.027 -0.749 -14.563 1.00 0.00 O ATOM 345 CB ALA A 21 98.264 -3.312 -15.030 1.00 0.00 C ATOM 0 H ALA A 21 100.169 -2.005 -16.662 1.00 0.00 H new ATOM 0 HA ALA A 21 97.266 -1.610 -15.964 1.00 0.00 H new ATOM 0 HB1 ALA A 21 97.622 -3.294 -14.150 1.00 0.00 H new ATOM 0 HB2 ALA A 21 97.888 -4.050 -15.739 1.00 0.00 H new ATOM 0 HB3 ALA A 21 99.279 -3.578 -14.734 1.00 0.00 H new ATOM 351 N ARG A 22 97.963 -0.128 -14.078 1.00 0.00 N ATOM 352 CA ARG A 22 98.435 0.940 -13.139 1.00 0.00 C ATOM 353 C ARG A 22 97.687 0.844 -11.808 1.00 0.00 C ATOM 354 O ARG A 22 96.550 0.414 -11.761 1.00 0.00 O ATOM 355 CB ARG A 22 98.131 2.274 -13.842 1.00 0.00 C ATOM 356 CG ARG A 22 96.628 2.397 -14.138 1.00 0.00 C ATOM 357 CD ARG A 22 96.349 3.736 -14.830 1.00 0.00 C ATOM 358 NE ARG A 22 96.664 3.510 -16.278 1.00 0.00 N ATOM 359 CZ ARG A 22 96.826 4.520 -17.112 1.00 0.00 C ATOM 360 NH1 ARG A 22 96.722 5.767 -16.711 1.00 0.00 N ATOM 361 NH2 ARG A 22 97.094 4.275 -18.365 1.00 0.00 N ATOM 0 H ARG A 22 96.950 -0.210 -14.162 1.00 0.00 H new ATOM 0 HA ARG A 22 99.497 0.843 -12.913 1.00 0.00 H new ATOM 0 HB2 ARG A 22 98.453 3.104 -13.214 1.00 0.00 H new ATOM 0 HB3 ARG A 22 98.697 2.339 -14.771 1.00 0.00 H new ATOM 0 HG2 ARG A 22 96.303 1.573 -14.773 1.00 0.00 H new ATOM 0 HG3 ARG A 22 96.058 2.329 -13.212 1.00 0.00 H new ATOM 0 HD2 ARG A 22 95.310 4.038 -14.697 1.00 0.00 H new ATOM 0 HD3 ARG A 22 96.968 4.530 -14.413 1.00 0.00 H new ATOM 0 HE ARG A 22 96.755 2.556 -16.626 1.00 0.00 H new ATOM 0 HH11 ARG A 22 96.511 5.973 -15.734 1.00 0.00 H new ATOM 0 HH12 ARG A 22 96.852 6.529 -17.376 1.00 0.00 H new ATOM 0 HH21 ARG A 22 97.176 3.312 -18.690 1.00 0.00 H new ATOM 0 HH22 ARG A 22 97.221 5.047 -19.020 1.00 0.00 H new ATOM 375 N GLY A 23 98.320 1.241 -10.730 1.00 0.00 N ATOM 376 CA GLY A 23 97.648 1.178 -9.397 1.00 0.00 C ATOM 377 C GLY A 23 98.609 1.670 -8.313 1.00 0.00 C ATOM 378 O GLY A 23 99.678 2.173 -8.607 1.00 0.00 O ATOM 0 H GLY A 23 99.273 1.606 -10.717 1.00 0.00 H new ATOM 0 HA2 GLY A 23 96.747 1.791 -9.404 1.00 0.00 H new ATOM 0 HA3 GLY A 23 97.336 0.156 -9.184 1.00 0.00 H new ATOM 382 N VAL A 24 98.235 1.528 -7.064 1.00 0.00 N ATOM 383 CA VAL A 24 99.102 2.034 -5.952 1.00 0.00 C ATOM 384 C VAL A 24 99.965 0.891 -5.409 1.00 0.00 C ATOM 385 O VAL A 24 99.472 -0.179 -5.110 1.00 0.00 O ATOM 386 CB VAL A 24 98.137 2.539 -4.865 1.00 0.00 C ATOM 387 CG1 VAL A 24 98.935 3.200 -3.738 1.00 0.00 C ATOM 388 CG2 VAL A 24 97.161 3.566 -5.460 1.00 0.00 C ATOM 0 H VAL A 24 97.367 1.083 -6.766 1.00 0.00 H new ATOM 0 HA VAL A 24 99.774 2.825 -6.285 1.00 0.00 H new ATOM 0 HB VAL A 24 97.574 1.692 -4.473 1.00 0.00 H new ATOM 0 HG11 VAL A 24 98.251 3.557 -2.969 1.00 0.00 H new ATOM 0 HG12 VAL A 24 99.622 2.473 -3.304 1.00 0.00 H new ATOM 0 HG13 VAL A 24 99.502 4.041 -4.138 1.00 0.00 H new ATOM 0 HG21 VAL A 24 96.483 3.917 -4.682 1.00 0.00 H new ATOM 0 HG22 VAL A 24 97.721 4.411 -5.861 1.00 0.00 H new ATOM 0 HG23 VAL A 24 96.586 3.100 -6.260 1.00 0.00 H new ATOM 398 N ILE A 25 101.248 1.113 -5.281 1.00 0.00 N ATOM 399 CA ILE A 25 102.157 0.035 -4.764 1.00 0.00 C ATOM 400 C ILE A 25 101.940 -0.157 -3.258 1.00 0.00 C ATOM 401 O ILE A 25 101.760 0.796 -2.523 1.00 0.00 O ATOM 402 CB ILE A 25 103.584 0.536 -5.060 1.00 0.00 C ATOM 403 CG1 ILE A 25 103.792 0.606 -6.577 1.00 0.00 C ATOM 404 CG2 ILE A 25 104.627 -0.410 -4.447 1.00 0.00 C ATOM 405 CD1 ILE A 25 105.040 1.437 -6.890 1.00 0.00 C ATOM 0 H ILE A 25 101.710 1.993 -5.511 1.00 0.00 H new ATOM 0 HA ILE A 25 101.968 -0.931 -5.233 1.00 0.00 H new ATOM 0 HB ILE A 25 103.707 1.526 -4.620 1.00 0.00 H new ATOM 0 HG12 ILE A 25 103.901 -0.399 -6.985 1.00 0.00 H new ATOM 0 HG13 ILE A 25 102.918 1.051 -7.053 1.00 0.00 H new ATOM 0 HG21 ILE A 25 105.628 -0.039 -4.667 1.00 0.00 H new ATOM 0 HG22 ILE A 25 104.486 -0.456 -3.367 1.00 0.00 H new ATOM 0 HG23 ILE A 25 104.508 -1.407 -4.871 1.00 0.00 H new ATOM 0 HD11 ILE A 25 105.184 1.484 -7.969 1.00 0.00 H new ATOM 0 HD12 ILE A 25 104.914 2.446 -6.496 1.00 0.00 H new ATOM 0 HD13 ILE A 25 105.911 0.973 -6.427 1.00 0.00 H new ATOM 417 N THR A 26 101.956 -1.389 -2.799 1.00 0.00 N ATOM 418 CA THR A 26 101.749 -1.655 -1.342 1.00 0.00 C ATOM 419 C THR A 26 102.899 -2.481 -0.751 1.00 0.00 C ATOM 420 O THR A 26 103.286 -2.270 0.385 1.00 0.00 O ATOM 421 CB THR A 26 100.437 -2.436 -1.262 1.00 0.00 C ATOM 422 OG1 THR A 26 100.500 -3.556 -2.133 1.00 0.00 O ATOM 423 CG2 THR A 26 99.273 -1.530 -1.672 1.00 0.00 C ATOM 0 H THR A 26 102.104 -2.219 -3.373 1.00 0.00 H new ATOM 0 HA THR A 26 101.717 -0.727 -0.771 1.00 0.00 H new ATOM 0 HB THR A 26 100.281 -2.780 -0.239 1.00 0.00 H new ATOM 0 HG1 THR A 26 100.576 -3.246 -3.060 1.00 0.00 H new ATOM 0 HG21 THR A 26 98.339 -2.089 -1.614 1.00 0.00 H new ATOM 0 HG22 THR A 26 99.225 -0.673 -1.000 1.00 0.00 H new ATOM 0 HG23 THR A 26 99.425 -1.182 -2.694 1.00 0.00 H new ATOM 431 N ASN A 27 103.453 -3.415 -1.497 1.00 0.00 N ATOM 432 CA ASN A 27 104.462 -4.342 -0.894 1.00 0.00 C ATOM 433 C ASN A 27 105.648 -4.555 -1.839 1.00 0.00 C ATOM 434 O ASN A 27 105.502 -4.542 -3.045 1.00 0.00 O ATOM 435 CB ASN A 27 103.712 -5.656 -0.678 1.00 0.00 C ATOM 436 CG ASN A 27 104.559 -6.592 0.187 1.00 0.00 C ATOM 437 OD1 ASN A 27 105.126 -7.547 -0.307 1.00 0.00 O ATOM 438 ND2 ASN A 27 104.668 -6.359 1.465 1.00 0.00 N ATOM 0 H ASN A 27 103.251 -3.571 -2.484 1.00 0.00 H new ATOM 0 HA ASN A 27 104.874 -3.942 0.033 1.00 0.00 H new ATOM 0 HB2 ASN A 27 102.754 -5.465 -0.195 1.00 0.00 H new ATOM 0 HB3 ASN A 27 103.497 -6.126 -1.638 1.00 0.00 H new ATOM 0 HD21 ASN A 27 105.229 -6.978 2.050 1.00 0.00 H new ATOM 0 HD22 ASN A 27 104.192 -5.558 1.880 1.00 0.00 H new ATOM 445 N PHE A 28 106.819 -4.747 -1.285 1.00 0.00 N ATOM 446 CA PHE A 28 108.009 -5.118 -2.108 1.00 0.00 C ATOM 447 C PHE A 28 108.953 -5.989 -1.276 1.00 0.00 C ATOM 448 O PHE A 28 109.332 -5.626 -0.177 1.00 0.00 O ATOM 449 CB PHE A 28 108.674 -3.790 -2.470 1.00 0.00 C ATOM 450 CG PHE A 28 109.773 -3.929 -3.496 1.00 0.00 C ATOM 451 CD1 PHE A 28 109.451 -4.250 -4.837 1.00 0.00 C ATOM 452 CD2 PHE A 28 111.124 -3.736 -3.118 1.00 0.00 C ATOM 453 CE1 PHE A 28 110.481 -4.377 -5.802 1.00 0.00 C ATOM 454 CE2 PHE A 28 112.154 -3.864 -4.082 1.00 0.00 C ATOM 455 CZ PHE A 28 111.832 -4.185 -5.424 1.00 0.00 C ATOM 0 H PHE A 28 107.002 -4.661 -0.285 1.00 0.00 H new ATOM 0 HA PHE A 28 107.744 -5.687 -2.999 1.00 0.00 H new ATOM 0 HB2 PHE A 28 107.916 -3.105 -2.851 1.00 0.00 H new ATOM 0 HB3 PHE A 28 109.086 -3.340 -1.566 1.00 0.00 H new ATOM 0 HD1 PHE A 28 108.421 -4.398 -5.124 1.00 0.00 H new ATOM 0 HD2 PHE A 28 111.369 -3.491 -2.095 1.00 0.00 H new ATOM 0 HE1 PHE A 28 110.236 -4.620 -6.825 1.00 0.00 H new ATOM 0 HE2 PHE A 28 113.184 -3.717 -3.794 1.00 0.00 H new ATOM 0 HZ PHE A 28 112.617 -4.283 -6.159 1.00 0.00 H new ATOM 465 N ASP A 29 109.334 -7.132 -1.792 1.00 0.00 N ATOM 466 CA ASP A 29 110.164 -8.084 -0.992 1.00 0.00 C ATOM 467 C ASP A 29 111.472 -8.374 -1.724 1.00 0.00 C ATOM 468 O ASP A 29 111.467 -8.752 -2.878 1.00 0.00 O ATOM 469 CB ASP A 29 109.317 -9.352 -0.880 1.00 0.00 C ATOM 470 CG ASP A 29 109.924 -10.286 0.172 1.00 0.00 C ATOM 471 OD1 ASP A 29 111.139 -10.398 0.209 1.00 0.00 O ATOM 472 OD2 ASP A 29 109.162 -10.872 0.924 1.00 0.00 O ATOM 0 H ASP A 29 109.105 -7.447 -2.735 1.00 0.00 H new ATOM 0 HA ASP A 29 110.427 -7.686 -0.012 1.00 0.00 H new ATOM 0 HB2 ASP A 29 108.294 -9.095 -0.605 1.00 0.00 H new ATOM 0 HB3 ASP A 29 109.271 -9.857 -1.845 1.00 0.00 H new ATOM 477 N SER A 30 112.589 -8.199 -1.059 1.00 0.00 N ATOM 478 CA SER A 30 113.913 -8.410 -1.729 1.00 0.00 C ATOM 479 C SER A 30 114.202 -9.906 -1.902 1.00 0.00 C ATOM 480 O SER A 30 114.840 -10.311 -2.857 1.00 0.00 O ATOM 481 CB SER A 30 114.945 -7.774 -0.795 1.00 0.00 C ATOM 482 OG SER A 30 114.589 -6.418 -0.558 1.00 0.00 O ATOM 0 H SER A 30 112.642 -7.919 -0.080 1.00 0.00 H new ATOM 0 HA SER A 30 113.935 -7.968 -2.725 1.00 0.00 H new ATOM 0 HB2 SER A 30 114.987 -8.321 0.147 1.00 0.00 H new ATOM 0 HB3 SER A 30 115.938 -7.829 -1.240 1.00 0.00 H new ATOM 0 HG SER A 30 115.247 -6.007 0.041 1.00 0.00 H new ATOM 488 N SER A 31 113.737 -10.727 -0.989 1.00 0.00 N ATOM 489 CA SER A 31 114.070 -12.190 -1.042 1.00 0.00 C ATOM 490 C SER A 31 113.491 -12.834 -2.309 1.00 0.00 C ATOM 491 O SER A 31 114.105 -13.695 -2.909 1.00 0.00 O ATOM 492 CB SER A 31 113.430 -12.801 0.207 1.00 0.00 C ATOM 493 OG SER A 31 112.015 -12.782 0.071 1.00 0.00 O ATOM 0 H SER A 31 113.141 -10.448 -0.209 1.00 0.00 H new ATOM 0 HA SER A 31 115.147 -12.355 -1.069 1.00 0.00 H new ATOM 0 HB2 SER A 31 113.779 -13.824 0.344 1.00 0.00 H new ATOM 0 HB3 SER A 31 113.729 -12.241 1.093 1.00 0.00 H new ATOM 0 HG SER A 31 111.725 -11.888 -0.206 1.00 0.00 H new ATOM 499 N ASN A 32 112.314 -12.419 -2.714 1.00 0.00 N ATOM 500 CA ASN A 32 111.686 -13.002 -3.944 1.00 0.00 C ATOM 501 C ASN A 32 111.336 -11.907 -4.966 1.00 0.00 C ATOM 502 O ASN A 32 110.819 -12.197 -6.029 1.00 0.00 O ATOM 503 CB ASN A 32 110.411 -13.688 -3.446 1.00 0.00 C ATOM 504 CG ASN A 32 110.781 -14.881 -2.559 1.00 0.00 C ATOM 505 OD1 ASN A 32 111.747 -15.571 -2.818 1.00 0.00 O ATOM 506 ND2 ASN A 32 110.046 -15.153 -1.515 1.00 0.00 N ATOM 0 H ASN A 32 111.760 -11.701 -2.246 1.00 0.00 H new ATOM 0 HA ASN A 32 112.362 -13.690 -4.451 1.00 0.00 H new ATOM 0 HB2 ASN A 32 109.801 -12.980 -2.885 1.00 0.00 H new ATOM 0 HB3 ASN A 32 109.812 -14.024 -4.293 1.00 0.00 H new ATOM 0 HD21 ASN A 32 110.283 -15.945 -0.917 1.00 0.00 H new ATOM 0 HD22 ASN A 32 109.235 -14.574 -1.297 1.00 0.00 H new ATOM 513 N SER A 33 111.613 -10.651 -4.660 1.00 0.00 N ATOM 514 CA SER A 33 111.258 -9.520 -5.590 1.00 0.00 C ATOM 515 C SER A 33 109.783 -9.604 -6.017 1.00 0.00 C ATOM 516 O SER A 33 109.469 -9.840 -7.171 1.00 0.00 O ATOM 517 CB SER A 33 112.193 -9.676 -6.794 1.00 0.00 C ATOM 518 OG SER A 33 113.387 -8.940 -6.560 1.00 0.00 O ATOM 0 H SER A 33 112.074 -10.361 -3.797 1.00 0.00 H new ATOM 0 HA SER A 33 111.379 -8.548 -5.112 1.00 0.00 H new ATOM 0 HB2 SER A 33 112.426 -10.729 -6.954 1.00 0.00 H new ATOM 0 HB3 SER A 33 111.702 -9.317 -7.699 1.00 0.00 H new ATOM 0 HG SER A 33 113.988 -9.039 -7.328 1.00 0.00 H new ATOM 524 N ILE A 34 108.881 -9.409 -5.085 1.00 0.00 N ATOM 525 CA ILE A 34 107.421 -9.482 -5.415 1.00 0.00 C ATOM 526 C ILE A 34 106.748 -8.142 -5.091 1.00 0.00 C ATOM 527 O ILE A 34 107.011 -7.540 -4.067 1.00 0.00 O ATOM 528 CB ILE A 34 106.850 -10.607 -4.531 1.00 0.00 C ATOM 529 CG1 ILE A 34 107.646 -11.917 -4.731 1.00 0.00 C ATOM 530 CG2 ILE A 34 105.377 -10.845 -4.885 1.00 0.00 C ATOM 531 CD1 ILE A 34 107.598 -12.387 -6.197 1.00 0.00 C ATOM 0 H ILE A 34 109.092 -9.202 -4.109 1.00 0.00 H new ATOM 0 HA ILE A 34 107.248 -9.684 -6.472 1.00 0.00 H new ATOM 0 HB ILE A 34 106.934 -10.303 -3.488 1.00 0.00 H new ATOM 0 HG12 ILE A 34 108.682 -11.764 -4.430 1.00 0.00 H new ATOM 0 HG13 ILE A 34 107.238 -12.694 -4.085 1.00 0.00 H new ATOM 0 HG21 ILE A 34 104.976 -11.641 -4.258 1.00 0.00 H new ATOM 0 HG22 ILE A 34 104.810 -9.930 -4.716 1.00 0.00 H new ATOM 0 HG23 ILE A 34 105.297 -11.133 -5.933 1.00 0.00 H new ATOM 0 HD11 ILE A 34 108.168 -13.310 -6.302 1.00 0.00 H new ATOM 0 HD12 ILE A 34 106.563 -12.564 -6.489 1.00 0.00 H new ATOM 0 HD13 ILE A 34 108.030 -11.619 -6.839 1.00 0.00 H new ATOM 543 N LEU A 35 105.882 -7.677 -5.961 1.00 0.00 N ATOM 544 CA LEU A 35 105.246 -6.337 -5.764 1.00 0.00 C ATOM 545 C LEU A 35 103.721 -6.467 -5.775 1.00 0.00 C ATOM 546 O LEU A 35 103.144 -7.001 -6.705 1.00 0.00 O ATOM 547 CB LEU A 35 105.724 -5.505 -6.956 1.00 0.00 C ATOM 548 CG LEU A 35 105.262 -4.054 -6.800 1.00 0.00 C ATOM 549 CD1 LEU A 35 106.251 -3.292 -5.916 1.00 0.00 C ATOM 550 CD2 LEU A 35 105.196 -3.391 -8.178 1.00 0.00 C ATOM 0 H LEU A 35 105.588 -8.172 -6.803 1.00 0.00 H new ATOM 0 HA LEU A 35 105.515 -5.883 -4.810 1.00 0.00 H new ATOM 0 HB2 LEU A 35 106.811 -5.544 -7.025 1.00 0.00 H new ATOM 0 HB3 LEU A 35 105.331 -5.923 -7.883 1.00 0.00 H new ATOM 0 HG LEU A 35 104.275 -4.036 -6.337 1.00 0.00 H new ATOM 0 HD11 LEU A 35 105.920 -2.259 -5.806 1.00 0.00 H new ATOM 0 HD12 LEU A 35 106.300 -3.764 -4.934 1.00 0.00 H new ATOM 0 HD13 LEU A 35 107.239 -3.310 -6.376 1.00 0.00 H new ATOM 0 HD21 LEU A 35 104.867 -2.358 -8.069 1.00 0.00 H new ATOM 0 HD22 LEU A 35 106.183 -3.411 -8.639 1.00 0.00 H new ATOM 0 HD23 LEU A 35 104.490 -3.932 -8.809 1.00 0.00 H new ATOM 562 N GLN A 36 103.071 -5.982 -4.747 1.00 0.00 N ATOM 563 CA GLN A 36 101.579 -5.966 -4.735 1.00 0.00 C ATOM 564 C GLN A 36 101.071 -4.562 -5.066 1.00 0.00 C ATOM 565 O GLN A 36 101.490 -3.587 -4.467 1.00 0.00 O ATOM 566 CB GLN A 36 101.184 -6.359 -3.312 1.00 0.00 C ATOM 567 CG GLN A 36 101.444 -7.852 -3.104 1.00 0.00 C ATOM 568 CD GLN A 36 101.060 -8.245 -1.676 1.00 0.00 C ATOM 569 OE1 GLN A 36 100.089 -7.753 -1.137 1.00 0.00 O ATOM 570 NE2 GLN A 36 101.788 -9.119 -1.036 1.00 0.00 N ATOM 0 H GLN A 36 103.513 -5.595 -3.913 1.00 0.00 H new ATOM 0 HA GLN A 36 101.152 -6.645 -5.473 1.00 0.00 H new ATOM 0 HB2 GLN A 36 101.756 -5.776 -2.590 1.00 0.00 H new ATOM 0 HB3 GLN A 36 100.131 -6.135 -3.141 1.00 0.00 H new ATOM 0 HG2 GLN A 36 100.866 -8.436 -3.821 1.00 0.00 H new ATOM 0 HG3 GLN A 36 102.495 -8.077 -3.284 1.00 0.00 H new ATOM 0 HE21 GLN A 36 102.603 -9.532 -1.488 1.00 0.00 H new ATOM 0 HE22 GLN A 36 101.541 -9.389 -0.084 1.00 0.00 H new ATOM 579 N LEU A 37 100.173 -4.459 -6.015 1.00 0.00 N ATOM 580 CA LEU A 37 99.590 -3.131 -6.368 1.00 0.00 C ATOM 581 C LEU A 37 98.120 -3.076 -5.951 1.00 0.00 C ATOM 582 O LEU A 37 97.309 -3.862 -6.405 1.00 0.00 O ATOM 583 CB LEU A 37 99.713 -3.031 -7.891 1.00 0.00 C ATOM 584 CG LEU A 37 101.125 -2.583 -8.270 1.00 0.00 C ATOM 585 CD1 LEU A 37 101.378 -2.889 -9.747 1.00 0.00 C ATOM 586 CD2 LEU A 37 101.261 -1.076 -8.035 1.00 0.00 C ATOM 0 H LEU A 37 99.818 -5.243 -6.562 1.00 0.00 H new ATOM 0 HA LEU A 37 100.100 -2.311 -5.863 1.00 0.00 H new ATOM 0 HB2 LEU A 37 99.494 -3.997 -8.347 1.00 0.00 H new ATOM 0 HB3 LEU A 37 98.981 -2.322 -8.278 1.00 0.00 H new ATOM 0 HG LEU A 37 101.852 -3.116 -7.657 1.00 0.00 H new ATOM 0 HD11 LEU A 37 102.384 -2.570 -10.018 1.00 0.00 H new ATOM 0 HD12 LEU A 37 101.279 -3.961 -9.919 1.00 0.00 H new ATOM 0 HD13 LEU A 37 100.651 -2.355 -10.359 1.00 0.00 H new ATOM 0 HD21 LEU A 37 102.267 -0.755 -8.305 1.00 0.00 H new ATOM 0 HD22 LEU A 37 100.534 -0.545 -8.649 1.00 0.00 H new ATOM 0 HD23 LEU A 37 101.079 -0.854 -6.984 1.00 0.00 H new ATOM 598 N ARG A 38 97.773 -2.153 -5.088 1.00 0.00 N ATOM 599 CA ARG A 38 96.336 -1.975 -4.712 1.00 0.00 C ATOM 600 C ARG A 38 95.712 -0.857 -5.551 1.00 0.00 C ATOM 601 O ARG A 38 96.208 0.254 -5.587 1.00 0.00 O ATOM 602 CB ARG A 38 96.339 -1.595 -3.231 1.00 0.00 C ATOM 603 CG ARG A 38 96.438 -2.862 -2.379 1.00 0.00 C ATOM 604 CD ARG A 38 95.967 -2.557 -0.953 1.00 0.00 C ATOM 605 NE ARG A 38 96.406 -3.733 -0.138 1.00 0.00 N ATOM 606 CZ ARG A 38 95.760 -4.883 -0.180 1.00 0.00 C ATOM 607 NH1 ARG A 38 94.708 -5.057 -0.947 1.00 0.00 N ATOM 608 NH2 ARG A 38 96.180 -5.875 0.558 1.00 0.00 N ATOM 0 H ARG A 38 98.423 -1.515 -4.628 1.00 0.00 H new ATOM 0 HA ARG A 38 95.753 -2.879 -4.890 1.00 0.00 H new ATOM 0 HB2 ARG A 38 97.178 -0.933 -3.016 1.00 0.00 H new ATOM 0 HB3 ARG A 38 95.430 -1.048 -2.983 1.00 0.00 H new ATOM 0 HG2 ARG A 38 95.828 -3.654 -2.813 1.00 0.00 H new ATOM 0 HG3 ARG A 38 97.466 -3.224 -2.364 1.00 0.00 H new ATOM 0 HD2 ARG A 38 96.409 -1.633 -0.581 1.00 0.00 H new ATOM 0 HD3 ARG A 38 94.885 -2.432 -0.913 1.00 0.00 H new ATOM 0 HE ARG A 38 97.224 -3.643 0.464 1.00 0.00 H new ATOM 0 HH11 ARG A 38 94.370 -4.292 -1.531 1.00 0.00 H new ATOM 0 HH12 ARG A 38 94.229 -5.957 -0.959 1.00 0.00 H new ATOM 0 HH21 ARG A 38 96.997 -5.755 1.156 1.00 0.00 H new ATOM 0 HH22 ARG A 38 95.691 -6.770 0.536 1.00 0.00 H new ATOM 622 N LEU A 39 94.626 -1.149 -6.224 1.00 0.00 N ATOM 623 CA LEU A 39 94.022 -0.152 -7.158 1.00 0.00 C ATOM 624 C LEU A 39 92.801 0.520 -6.521 1.00 0.00 C ATOM 625 O LEU A 39 92.086 -0.080 -5.735 1.00 0.00 O ATOM 626 CB LEU A 39 93.622 -0.969 -8.392 1.00 0.00 C ATOM 627 CG LEU A 39 93.245 -0.041 -9.558 1.00 0.00 C ATOM 628 CD1 LEU A 39 94.429 0.858 -9.927 1.00 0.00 C ATOM 629 CD2 LEU A 39 92.885 -0.895 -10.771 1.00 0.00 C ATOM 0 H LEU A 39 94.131 -2.039 -6.165 1.00 0.00 H new ATOM 0 HA LEU A 39 94.713 0.653 -7.408 1.00 0.00 H new ATOM 0 HB2 LEU A 39 94.447 -1.617 -8.688 1.00 0.00 H new ATOM 0 HB3 LEU A 39 92.779 -1.616 -8.149 1.00 0.00 H new ATOM 0 HG LEU A 39 92.401 0.581 -9.259 1.00 0.00 H new ATOM 0 HD11 LEU A 39 94.147 1.510 -10.754 1.00 0.00 H new ATOM 0 HD12 LEU A 39 94.707 1.465 -9.065 1.00 0.00 H new ATOM 0 HD13 LEU A 39 95.276 0.240 -10.224 1.00 0.00 H new ATOM 0 HD21 LEU A 39 92.616 -0.247 -11.605 1.00 0.00 H new ATOM 0 HD22 LEU A 39 93.741 -1.509 -11.050 1.00 0.00 H new ATOM 0 HD23 LEU A 39 92.041 -1.539 -10.525 1.00 0.00 H new ATOM 641 N ALA A 40 92.560 1.765 -6.865 1.00 0.00 N ATOM 642 CA ALA A 40 91.470 2.555 -6.199 1.00 0.00 C ATOM 643 C ALA A 40 90.080 1.953 -6.467 1.00 0.00 C ATOM 644 O ALA A 40 89.106 2.359 -5.859 1.00 0.00 O ATOM 645 CB ALA A 40 91.561 3.958 -6.805 1.00 0.00 C ATOM 0 H ALA A 40 93.076 2.272 -7.584 1.00 0.00 H new ATOM 0 HA ALA A 40 91.597 2.556 -5.116 1.00 0.00 H new ATOM 0 HB1 ALA A 40 90.793 4.595 -6.366 1.00 0.00 H new ATOM 0 HB2 ALA A 40 92.544 4.380 -6.598 1.00 0.00 H new ATOM 0 HB3 ALA A 40 91.411 3.899 -7.883 1.00 0.00 H new ATOM 651 N ASN A 41 89.973 0.995 -7.361 1.00 0.00 N ATOM 652 CA ASN A 41 88.654 0.322 -7.598 1.00 0.00 C ATOM 653 C ASN A 41 88.444 -0.845 -6.613 1.00 0.00 C ATOM 654 O ASN A 41 87.791 -1.819 -6.942 1.00 0.00 O ATOM 655 CB ASN A 41 88.734 -0.205 -9.033 1.00 0.00 C ATOM 656 CG ASN A 41 87.352 -0.688 -9.479 1.00 0.00 C ATOM 657 OD1 ASN A 41 87.107 -1.877 -9.559 1.00 0.00 O ATOM 658 ND2 ASN A 41 86.431 0.188 -9.774 1.00 0.00 N ATOM 0 H ASN A 41 90.742 0.651 -7.936 1.00 0.00 H new ATOM 0 HA ASN A 41 87.819 1.007 -7.451 1.00 0.00 H new ATOM 0 HB2 ASN A 41 89.089 0.580 -9.700 1.00 0.00 H new ATOM 0 HB3 ASN A 41 89.453 -1.022 -9.092 1.00 0.00 H new ATOM 0 HD21 ASN A 41 85.507 -0.124 -10.071 1.00 0.00 H new ATOM 0 HD22 ASN A 41 86.635 1.185 -9.707 1.00 0.00 H new ATOM 665 N ASP A 42 88.990 -0.765 -5.406 1.00 0.00 N ATOM 666 CA ASP A 42 88.775 -1.845 -4.381 1.00 0.00 C ATOM 667 C ASP A 42 89.311 -3.189 -4.895 1.00 0.00 C ATOM 668 O ASP A 42 88.835 -4.239 -4.502 1.00 0.00 O ATOM 669 CB ASP A 42 87.258 -1.924 -4.159 1.00 0.00 C ATOM 670 CG ASP A 42 86.972 -2.683 -2.861 1.00 0.00 C ATOM 671 OD1 ASP A 42 87.015 -2.060 -1.813 1.00 0.00 O ATOM 672 OD2 ASP A 42 86.713 -3.872 -2.938 1.00 0.00 O ATOM 0 H ASP A 42 89.577 0.008 -5.092 1.00 0.00 H new ATOM 0 HA ASP A 42 89.303 -1.623 -3.454 1.00 0.00 H new ATOM 0 HB2 ASP A 42 86.834 -0.921 -4.107 1.00 0.00 H new ATOM 0 HB3 ASP A 42 86.782 -2.428 -5.000 1.00 0.00 H new ATOM 677 N SER A 43 90.299 -3.166 -5.768 1.00 0.00 N ATOM 678 CA SER A 43 90.881 -4.445 -6.280 1.00 0.00 C ATOM 679 C SER A 43 92.370 -4.521 -5.937 1.00 0.00 C ATOM 680 O SER A 43 93.074 -3.529 -5.980 1.00 0.00 O ATOM 681 CB SER A 43 90.678 -4.395 -7.793 1.00 0.00 C ATOM 682 OG SER A 43 89.286 -4.345 -8.079 1.00 0.00 O ATOM 0 H SER A 43 90.722 -2.317 -6.143 1.00 0.00 H new ATOM 0 HA SER A 43 90.409 -5.322 -5.836 1.00 0.00 H new ATOM 0 HB2 SER A 43 91.178 -3.521 -8.210 1.00 0.00 H new ATOM 0 HB3 SER A 43 91.126 -5.272 -8.261 1.00 0.00 H new ATOM 0 HG SER A 43 88.933 -3.465 -7.832 1.00 0.00 H new ATOM 688 N THR A 44 92.851 -5.692 -5.597 1.00 0.00 N ATOM 689 CA THR A 44 94.297 -5.849 -5.247 1.00 0.00 C ATOM 690 C THR A 44 94.920 -6.985 -6.067 1.00 0.00 C ATOM 691 O THR A 44 94.277 -7.981 -6.346 1.00 0.00 O ATOM 692 CB THR A 44 94.318 -6.172 -3.742 1.00 0.00 C ATOM 693 OG1 THR A 44 95.665 -6.319 -3.312 1.00 0.00 O ATOM 694 CG2 THR A 44 93.546 -7.468 -3.458 1.00 0.00 C ATOM 0 H THR A 44 92.301 -6.550 -5.547 1.00 0.00 H new ATOM 0 HA THR A 44 94.876 -4.953 -5.468 1.00 0.00 H new ATOM 0 HB THR A 44 93.841 -5.356 -3.200 1.00 0.00 H new ATOM 0 HG1 THR A 44 95.703 -6.952 -2.565 1.00 0.00 H new ATOM 0 HG21 THR A 44 93.572 -7.680 -2.389 1.00 0.00 H new ATOM 0 HG22 THR A 44 92.511 -7.353 -3.780 1.00 0.00 H new ATOM 0 HG23 THR A 44 94.006 -8.292 -4.003 1.00 0.00 H new ATOM 702 N LYS A 45 96.164 -6.838 -6.452 1.00 0.00 N ATOM 703 CA LYS A 45 96.823 -7.884 -7.291 1.00 0.00 C ATOM 704 C LYS A 45 98.298 -8.022 -6.904 1.00 0.00 C ATOM 705 O LYS A 45 99.008 -7.041 -6.779 1.00 0.00 O ATOM 706 CB LYS A 45 96.686 -7.379 -8.728 1.00 0.00 C ATOM 707 CG LYS A 45 97.132 -8.473 -9.701 1.00 0.00 C ATOM 708 CD LYS A 45 97.001 -7.963 -11.137 1.00 0.00 C ATOM 709 CE LYS A 45 97.360 -9.086 -12.113 1.00 0.00 C ATOM 710 NZ LYS A 45 96.111 -9.884 -12.255 1.00 0.00 N ATOM 0 H LYS A 45 96.752 -6.037 -6.220 1.00 0.00 H new ATOM 0 HA LYS A 45 96.371 -8.867 -7.160 1.00 0.00 H new ATOM 0 HB2 LYS A 45 95.652 -7.099 -8.929 1.00 0.00 H new ATOM 0 HB3 LYS A 45 97.292 -6.484 -8.869 1.00 0.00 H new ATOM 0 HG2 LYS A 45 98.165 -8.757 -9.497 1.00 0.00 H new ATOM 0 HG3 LYS A 45 96.523 -9.367 -9.564 1.00 0.00 H new ATOM 0 HD2 LYS A 45 95.983 -7.619 -11.320 1.00 0.00 H new ATOM 0 HD3 LYS A 45 97.659 -7.108 -11.292 1.00 0.00 H new ATOM 0 HE2 LYS A 45 97.685 -8.686 -13.074 1.00 0.00 H new ATOM 0 HE3 LYS A 45 98.177 -9.697 -11.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 96.348 -10.896 -12.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 95.492 -9.708 -11.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 95.619 -9.606 -13.128 1.00 0.00 H new ATOM 724 N SER A 46 98.760 -9.235 -6.716 1.00 0.00 N ATOM 725 CA SER A 46 100.202 -9.456 -6.399 1.00 0.00 C ATOM 726 C SER A 46 100.944 -9.935 -7.650 1.00 0.00 C ATOM 727 O SER A 46 100.612 -10.957 -8.221 1.00 0.00 O ATOM 728 CB SER A 46 100.210 -10.538 -5.321 1.00 0.00 C ATOM 729 OG SER A 46 99.750 -11.762 -5.879 1.00 0.00 O ATOM 0 H SER A 46 98.196 -10.083 -6.769 1.00 0.00 H new ATOM 0 HA SER A 46 100.698 -8.546 -6.062 1.00 0.00 H new ATOM 0 HB2 SER A 46 101.217 -10.663 -4.922 1.00 0.00 H new ATOM 0 HB3 SER A 46 99.572 -10.242 -4.488 1.00 0.00 H new ATOM 0 HG SER A 46 99.717 -11.685 -6.855 1.00 0.00 H new ATOM 735 N ILE A 47 101.946 -9.203 -8.075 1.00 0.00 N ATOM 736 CA ILE A 47 102.697 -9.590 -9.309 1.00 0.00 C ATOM 737 C ILE A 47 104.198 -9.599 -9.007 1.00 0.00 C ATOM 738 O ILE A 47 104.710 -8.707 -8.354 1.00 0.00 O ATOM 739 CB ILE A 47 102.353 -8.514 -10.356 1.00 0.00 C ATOM 740 CG1 ILE A 47 100.836 -8.486 -10.598 1.00 0.00 C ATOM 741 CG2 ILE A 47 103.060 -8.831 -11.680 1.00 0.00 C ATOM 742 CD1 ILE A 47 100.463 -7.236 -11.400 1.00 0.00 C ATOM 0 H ILE A 47 102.276 -8.353 -7.619 1.00 0.00 H new ATOM 0 HA ILE A 47 102.431 -10.584 -9.667 1.00 0.00 H new ATOM 0 HB ILE A 47 102.684 -7.545 -9.984 1.00 0.00 H new ATOM 0 HG12 ILE A 47 100.528 -9.381 -11.138 1.00 0.00 H new ATOM 0 HG13 ILE A 47 100.306 -8.490 -9.645 1.00 0.00 H new ATOM 0 HG21 ILE A 47 102.813 -8.067 -12.417 1.00 0.00 H new ATOM 0 HG22 ILE A 47 104.138 -8.847 -11.522 1.00 0.00 H new ATOM 0 HG23 ILE A 47 102.732 -9.805 -12.044 1.00 0.00 H new ATOM 0 HD11 ILE A 47 99.386 -7.220 -11.569 1.00 0.00 H new ATOM 0 HD12 ILE A 47 100.756 -6.346 -10.843 1.00 0.00 H new ATOM 0 HD13 ILE A 47 100.981 -7.251 -12.359 1.00 0.00 H new ATOM 754 N VAL A 48 104.902 -10.598 -9.478 1.00 0.00 N ATOM 755 CA VAL A 48 106.381 -10.644 -9.255 1.00 0.00 C ATOM 756 C VAL A 48 107.069 -9.686 -10.233 1.00 0.00 C ATOM 757 O VAL A 48 106.740 -9.639 -11.401 1.00 0.00 O ATOM 758 CB VAL A 48 106.810 -12.099 -9.517 1.00 0.00 C ATOM 759 CG1 VAL A 48 108.298 -12.267 -9.176 1.00 0.00 C ATOM 760 CG2 VAL A 48 105.967 -13.068 -8.666 1.00 0.00 C ATOM 0 H VAL A 48 104.518 -11.382 -10.006 1.00 0.00 H new ATOM 0 HA VAL A 48 106.656 -10.339 -8.245 1.00 0.00 H new ATOM 0 HB VAL A 48 106.650 -12.330 -10.570 1.00 0.00 H new ATOM 0 HG11 VAL A 48 108.600 -13.298 -9.362 1.00 0.00 H new ATOM 0 HG12 VAL A 48 108.892 -11.597 -9.798 1.00 0.00 H new ATOM 0 HG13 VAL A 48 108.460 -12.026 -8.125 1.00 0.00 H new ATOM 0 HG21 VAL A 48 106.282 -14.093 -8.862 1.00 0.00 H new ATOM 0 HG22 VAL A 48 106.108 -12.841 -7.609 1.00 0.00 H new ATOM 0 HG23 VAL A 48 104.914 -12.957 -8.924 1.00 0.00 H new ATOM 770 N THR A 49 108.021 -8.925 -9.758 1.00 0.00 N ATOM 771 CA THR A 49 108.627 -7.843 -10.605 1.00 0.00 C ATOM 772 C THR A 49 109.343 -8.427 -11.829 1.00 0.00 C ATOM 773 O THR A 49 109.504 -7.755 -12.831 1.00 0.00 O ATOM 774 CB THR A 49 109.624 -7.112 -9.700 1.00 0.00 C ATOM 775 OG1 THR A 49 110.575 -8.040 -9.200 1.00 0.00 O ATOM 776 CG2 THR A 49 108.883 -6.455 -8.532 1.00 0.00 C ATOM 0 H THR A 49 108.409 -9.003 -8.818 1.00 0.00 H new ATOM 0 HA THR A 49 107.859 -7.172 -10.989 1.00 0.00 H new ATOM 0 HB THR A 49 110.135 -6.341 -10.276 1.00 0.00 H new ATOM 0 HG1 THR A 49 110.160 -8.591 -8.504 1.00 0.00 H new ATOM 0 HG21 THR A 49 109.598 -5.937 -7.893 1.00 0.00 H new ATOM 0 HG22 THR A 49 108.157 -5.740 -8.918 1.00 0.00 H new ATOM 0 HG23 THR A 49 108.366 -7.220 -7.953 1.00 0.00 H new ATOM 784 N LYS A 50 109.774 -9.663 -11.761 1.00 0.00 N ATOM 785 CA LYS A 50 110.572 -10.251 -12.892 1.00 0.00 C ATOM 786 C LYS A 50 109.778 -10.199 -14.204 1.00 0.00 C ATOM 787 O LYS A 50 110.352 -10.189 -15.277 1.00 0.00 O ATOM 788 CB LYS A 50 110.849 -11.710 -12.494 1.00 0.00 C ATOM 789 CG LYS A 50 111.716 -11.768 -11.227 1.00 0.00 C ATOM 790 CD LYS A 50 111.838 -13.222 -10.761 1.00 0.00 C ATOM 791 CE LYS A 50 112.573 -13.267 -9.420 1.00 0.00 C ATOM 792 NZ LYS A 50 113.093 -14.659 -9.314 1.00 0.00 N ATOM 0 H LYS A 50 109.610 -10.292 -10.975 1.00 0.00 H new ATOM 0 HA LYS A 50 111.494 -9.694 -13.058 1.00 0.00 H new ATOM 0 HB2 LYS A 50 109.907 -12.231 -12.321 1.00 0.00 H new ATOM 0 HB3 LYS A 50 111.354 -12.226 -13.311 1.00 0.00 H new ATOM 0 HG2 LYS A 50 112.704 -11.355 -11.430 1.00 0.00 H new ATOM 0 HG3 LYS A 50 111.271 -11.158 -10.440 1.00 0.00 H new ATOM 0 HD2 LYS A 50 110.848 -13.667 -10.661 1.00 0.00 H new ATOM 0 HD3 LYS A 50 112.378 -13.809 -11.504 1.00 0.00 H new ATOM 0 HE2 LYS A 50 113.384 -12.539 -9.389 1.00 0.00 H new ATOM 0 HE3 LYS A 50 111.902 -13.032 -8.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 113.610 -14.769 -8.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 112.298 -15.329 -9.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 113.734 -14.852 -10.110 1.00 0.00 H new ATOM 806 N ASP A 51 108.469 -10.167 -14.127 1.00 0.00 N ATOM 807 CA ASP A 51 107.651 -10.019 -15.374 1.00 0.00 C ATOM 808 C ASP A 51 107.435 -8.536 -15.732 1.00 0.00 C ATOM 809 O ASP A 51 106.645 -8.221 -16.604 1.00 0.00 O ATOM 810 CB ASP A 51 106.313 -10.726 -15.094 1.00 0.00 C ATOM 811 CG ASP A 51 105.596 -10.102 -13.888 1.00 0.00 C ATOM 812 OD1 ASP A 51 105.457 -8.890 -13.859 1.00 0.00 O ATOM 813 OD2 ASP A 51 105.193 -10.852 -13.014 1.00 0.00 O ATOM 0 H ASP A 51 107.934 -10.236 -13.261 1.00 0.00 H new ATOM 0 HA ASP A 51 108.159 -10.462 -16.230 1.00 0.00 H new ATOM 0 HB2 ASP A 51 105.673 -10.661 -15.974 1.00 0.00 H new ATOM 0 HB3 ASP A 51 106.491 -11.785 -14.907 1.00 0.00 H new ATOM 818 N ILE A 52 108.122 -7.625 -15.072 1.00 0.00 N ATOM 819 CA ILE A 52 108.036 -6.181 -15.473 1.00 0.00 C ATOM 820 C ILE A 52 108.851 -5.948 -16.750 1.00 0.00 C ATOM 821 O ILE A 52 110.064 -6.053 -16.749 1.00 0.00 O ATOM 822 CB ILE A 52 108.624 -5.384 -14.293 1.00 0.00 C ATOM 823 CG1 ILE A 52 107.705 -5.537 -13.071 1.00 0.00 C ATOM 824 CG2 ILE A 52 108.749 -3.896 -14.674 1.00 0.00 C ATOM 825 CD1 ILE A 52 108.348 -4.874 -11.845 1.00 0.00 C ATOM 0 H ILE A 52 108.734 -7.819 -14.279 1.00 0.00 H new ATOM 0 HA ILE A 52 107.012 -5.872 -15.684 1.00 0.00 H new ATOM 0 HB ILE A 52 109.615 -5.769 -14.053 1.00 0.00 H new ATOM 0 HG12 ILE A 52 106.736 -5.081 -13.275 1.00 0.00 H new ATOM 0 HG13 ILE A 52 107.525 -6.593 -12.871 1.00 0.00 H new ATOM 0 HG21 ILE A 52 109.165 -3.339 -13.835 1.00 0.00 H new ATOM 0 HG22 ILE A 52 109.406 -3.796 -15.538 1.00 0.00 H new ATOM 0 HG23 ILE A 52 107.764 -3.499 -14.920 1.00 0.00 H new ATOM 0 HD11 ILE A 52 107.690 -4.987 -10.983 1.00 0.00 H new ATOM 0 HD12 ILE A 52 109.306 -5.349 -11.635 1.00 0.00 H new ATOM 0 HD13 ILE A 52 108.505 -3.814 -12.045 1.00 0.00 H new ATOM 837 N LYS A 53 108.186 -5.633 -17.834 1.00 0.00 N ATOM 838 CA LYS A 53 108.919 -5.196 -19.062 1.00 0.00 C ATOM 839 C LYS A 53 109.301 -3.719 -18.949 1.00 0.00 C ATOM 840 O LYS A 53 110.387 -3.322 -19.331 1.00 0.00 O ATOM 841 CB LYS A 53 107.945 -5.406 -20.221 1.00 0.00 C ATOM 842 CG LYS A 53 108.665 -5.175 -21.551 1.00 0.00 C ATOM 843 CD LYS A 53 107.672 -5.332 -22.704 1.00 0.00 C ATOM 844 CE LYS A 53 108.426 -5.289 -24.036 1.00 0.00 C ATOM 845 NZ LYS A 53 108.945 -6.671 -24.228 1.00 0.00 N ATOM 0 H LYS A 53 107.170 -5.659 -17.922 1.00 0.00 H new ATOM 0 HA LYS A 53 109.841 -5.759 -19.206 1.00 0.00 H new ATOM 0 HB2 LYS A 53 107.538 -6.417 -20.188 1.00 0.00 H new ATOM 0 HB3 LYS A 53 107.103 -4.720 -20.129 1.00 0.00 H new ATOM 0 HG2 LYS A 53 109.105 -4.178 -21.570 1.00 0.00 H new ATOM 0 HG3 LYS A 53 109.483 -5.887 -21.662 1.00 0.00 H new ATOM 0 HD2 LYS A 53 107.134 -6.275 -22.609 1.00 0.00 H new ATOM 0 HD3 LYS A 53 106.928 -4.536 -22.669 1.00 0.00 H new ATOM 0 HE2 LYS A 53 107.767 -4.998 -24.854 1.00 0.00 H new ATOM 0 HE3 LYS A 53 109.238 -4.563 -24.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 109.920 -6.629 -24.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 108.932 -7.176 -23.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 108.346 -7.175 -24.913 1.00 0.00 H new ATOM 859 N ASP A 54 108.415 -2.905 -18.424 1.00 0.00 N ATOM 860 CA ASP A 54 108.673 -1.424 -18.407 1.00 0.00 C ATOM 861 C ASP A 54 107.945 -0.757 -17.237 1.00 0.00 C ATOM 862 O ASP A 54 106.843 -1.132 -16.891 1.00 0.00 O ATOM 863 CB ASP A 54 108.124 -0.901 -19.735 1.00 0.00 C ATOM 864 CG ASP A 54 109.009 -1.380 -20.887 1.00 0.00 C ATOM 865 OD1 ASP A 54 110.217 -1.234 -20.781 1.00 0.00 O ATOM 866 OD2 ASP A 54 108.467 -1.886 -21.856 1.00 0.00 O ATOM 0 H ASP A 54 107.530 -3.197 -18.009 1.00 0.00 H new ATOM 0 HA ASP A 54 109.734 -1.205 -18.285 1.00 0.00 H new ATOM 0 HB2 ASP A 54 107.102 -1.251 -19.880 1.00 0.00 H new ATOM 0 HB3 ASP A 54 108.088 0.188 -19.720 1.00 0.00 H new ATOM 871 N LEU A 55 108.558 0.236 -16.635 1.00 0.00 N ATOM 872 CA LEU A 55 107.934 0.917 -15.456 1.00 0.00 C ATOM 873 C LEU A 55 107.763 2.417 -15.725 1.00 0.00 C ATOM 874 O LEU A 55 108.587 3.036 -16.371 1.00 0.00 O ATOM 875 CB LEU A 55 108.928 0.713 -14.308 1.00 0.00 C ATOM 876 CG LEU A 55 108.881 -0.739 -13.826 1.00 0.00 C ATOM 877 CD1 LEU A 55 110.234 -1.124 -13.225 1.00 0.00 C ATOM 878 CD2 LEU A 55 107.794 -0.889 -12.758 1.00 0.00 C ATOM 0 H LEU A 55 109.468 0.605 -16.912 1.00 0.00 H new ATOM 0 HA LEU A 55 106.946 0.513 -15.235 1.00 0.00 H new ATOM 0 HB2 LEU A 55 109.936 0.962 -14.640 1.00 0.00 H new ATOM 0 HB3 LEU A 55 108.688 1.386 -13.485 1.00 0.00 H new ATOM 0 HG LEU A 55 108.657 -1.391 -14.670 1.00 0.00 H new ATOM 0 HD11 LEU A 55 110.199 -2.158 -12.882 1.00 0.00 H new ATOM 0 HD12 LEU A 55 111.011 -1.019 -13.982 1.00 0.00 H new ATOM 0 HD13 LEU A 55 110.457 -0.470 -12.382 1.00 0.00 H new ATOM 0 HD21 LEU A 55 107.761 -1.923 -12.415 1.00 0.00 H new ATOM 0 HD22 LEU A 55 108.019 -0.235 -11.916 1.00 0.00 H new ATOM 0 HD23 LEU A 55 106.827 -0.616 -13.182 1.00 0.00 H new ATOM 890 N ARG A 56 106.695 3.001 -15.233 1.00 0.00 N ATOM 891 CA ARG A 56 106.575 4.491 -15.248 1.00 0.00 C ATOM 892 C ARG A 56 105.799 4.972 -14.014 1.00 0.00 C ATOM 893 O ARG A 56 105.005 4.242 -13.450 1.00 0.00 O ATOM 894 CB ARG A 56 105.829 4.837 -16.548 1.00 0.00 C ATOM 895 CG ARG A 56 104.375 4.339 -16.503 1.00 0.00 C ATOM 896 CD ARG A 56 103.637 4.824 -17.755 1.00 0.00 C ATOM 897 NE ARG A 56 102.214 5.028 -17.338 1.00 0.00 N ATOM 898 CZ ARG A 56 101.247 5.149 -18.229 1.00 0.00 C ATOM 899 NH1 ARG A 56 101.491 5.107 -19.519 1.00 0.00 N ATOM 900 NH2 ARG A 56 100.019 5.317 -17.819 1.00 0.00 N ATOM 0 H ARG A 56 105.902 2.508 -14.822 1.00 0.00 H new ATOM 0 HA ARG A 56 107.548 4.981 -15.215 1.00 0.00 H new ATOM 0 HB2 ARG A 56 105.842 5.916 -16.702 1.00 0.00 H new ATOM 0 HB3 ARG A 56 106.344 4.388 -17.397 1.00 0.00 H new ATOM 0 HG2 ARG A 56 104.352 3.250 -16.452 1.00 0.00 H new ATOM 0 HG3 ARG A 56 103.878 4.711 -15.607 1.00 0.00 H new ATOM 0 HD2 ARG A 56 104.071 5.751 -18.130 1.00 0.00 H new ATOM 0 HD3 ARG A 56 103.707 4.091 -18.559 1.00 0.00 H new ATOM 0 HE ARG A 56 101.987 5.075 -16.345 1.00 0.00 H new ATOM 0 HH11 ARG A 56 102.446 4.978 -19.853 1.00 0.00 H new ATOM 0 HH12 ARG A 56 100.725 5.203 -20.186 1.00 0.00 H new ATOM 0 HH21 ARG A 56 99.815 5.354 -16.820 1.00 0.00 H new ATOM 0 HH22 ARG A 56 99.263 5.412 -18.497 1.00 0.00 H new ATOM 914 N ILE A 57 106.026 6.194 -13.596 1.00 0.00 N ATOM 915 CA ILE A 57 105.245 6.759 -12.451 1.00 0.00 C ATOM 916 C ILE A 57 104.388 7.932 -12.942 1.00 0.00 C ATOM 917 O ILE A 57 104.877 8.828 -13.605 1.00 0.00 O ATOM 918 CB ILE A 57 106.284 7.237 -11.424 1.00 0.00 C ATOM 919 CG1 ILE A 57 107.217 6.077 -11.035 1.00 0.00 C ATOM 920 CG2 ILE A 57 105.559 7.741 -10.171 1.00 0.00 C ATOM 921 CD1 ILE A 57 108.384 6.609 -10.198 1.00 0.00 C ATOM 0 H ILE A 57 106.719 6.825 -13.999 1.00 0.00 H new ATOM 0 HA ILE A 57 104.572 6.023 -12.012 1.00 0.00 H new ATOM 0 HB ILE A 57 106.876 8.040 -11.863 1.00 0.00 H new ATOM 0 HG12 ILE A 57 106.664 5.327 -10.469 1.00 0.00 H new ATOM 0 HG13 ILE A 57 107.595 5.586 -11.932 1.00 0.00 H new ATOM 0 HG21 ILE A 57 106.291 8.081 -9.439 1.00 0.00 H new ATOM 0 HG22 ILE A 57 104.902 8.569 -10.439 1.00 0.00 H new ATOM 0 HG23 ILE A 57 104.967 6.932 -9.743 1.00 0.00 H new ATOM 0 HD11 ILE A 57 109.042 5.784 -9.925 1.00 0.00 H new ATOM 0 HD12 ILE A 57 108.944 7.342 -10.779 1.00 0.00 H new ATOM 0 HD13 ILE A 57 107.998 7.080 -9.294 1.00 0.00 H new ATOM 933 N LEU A 58 103.116 7.929 -12.620 1.00 0.00 N ATOM 934 CA LEU A 58 102.211 9.023 -13.101 1.00 0.00 C ATOM 935 C LEU A 58 102.389 10.273 -12.223 1.00 0.00 C ATOM 936 O LEU A 58 102.670 10.151 -11.046 1.00 0.00 O ATOM 937 CB LEU A 58 100.782 8.479 -12.965 1.00 0.00 C ATOM 938 CG LEU A 58 100.619 7.195 -13.787 1.00 0.00 C ATOM 939 CD1 LEU A 58 99.310 6.503 -13.399 1.00 0.00 C ATOM 940 CD2 LEU A 58 100.594 7.530 -15.280 1.00 0.00 C ATOM 0 H LEU A 58 102.665 7.217 -12.045 1.00 0.00 H new ATOM 0 HA LEU A 58 102.433 9.308 -14.130 1.00 0.00 H new ATOM 0 HB2 LEU A 58 100.561 8.278 -11.917 1.00 0.00 H new ATOM 0 HB3 LEU A 58 100.067 9.229 -13.304 1.00 0.00 H new ATOM 0 HG LEU A 58 101.459 6.531 -13.583 1.00 0.00 H new ATOM 0 HD11 LEU A 58 99.194 5.590 -13.983 1.00 0.00 H new ATOM 0 HD12 LEU A 58 99.330 6.255 -12.338 1.00 0.00 H new ATOM 0 HD13 LEU A 58 98.472 7.171 -13.599 1.00 0.00 H new ATOM 0 HD21 LEU A 58 100.478 6.612 -15.857 1.00 0.00 H new ATOM 0 HD22 LEU A 58 99.759 8.198 -15.489 1.00 0.00 H new ATOM 0 HD23 LEU A 58 101.528 8.018 -15.559 1.00 0.00 H new ATOM 952 N PRO A 59 102.222 11.443 -12.816 1.00 0.00 N ATOM 953 CA PRO A 59 102.347 12.703 -12.039 1.00 0.00 C ATOM 954 C PRO A 59 101.159 12.855 -11.082 1.00 0.00 C ATOM 955 O PRO A 59 101.333 13.025 -9.889 1.00 0.00 O ATOM 956 CB PRO A 59 102.334 13.800 -13.104 1.00 0.00 C ATOM 957 CG PRO A 59 101.681 13.187 -14.303 1.00 0.00 C ATOM 958 CD PRO A 59 101.911 11.700 -14.233 1.00 0.00 C ATOM 0 HA PRO A 59 103.245 12.736 -11.423 1.00 0.00 H new ATOM 0 HB2 PRO A 59 101.781 14.674 -12.760 1.00 0.00 H new ATOM 0 HB3 PRO A 59 103.345 14.134 -13.336 1.00 0.00 H new ATOM 0 HG2 PRO A 59 100.614 13.410 -14.314 1.00 0.00 H new ATOM 0 HG3 PRO A 59 102.102 13.597 -15.221 1.00 0.00 H new ATOM 0 HD2 PRO A 59 101.028 11.146 -14.553 1.00 0.00 H new ATOM 0 HD3 PRO A 59 102.732 11.394 -14.882 1.00 0.00 H new ATOM 966 N LYS A 60 99.957 12.793 -11.601 1.00 0.00 N ATOM 967 CA LYS A 60 98.746 12.925 -10.734 1.00 0.00 C ATOM 968 C LYS A 60 97.709 11.863 -11.111 1.00 0.00 C ATOM 969 O LYS A 60 97.682 11.384 -12.230 1.00 0.00 O ATOM 970 CB LYS A 60 98.204 14.328 -11.014 1.00 0.00 C ATOM 971 CG LYS A 60 99.197 15.374 -10.504 1.00 0.00 C ATOM 972 CD LYS A 60 98.601 16.772 -10.676 1.00 0.00 C ATOM 973 CE LYS A 60 99.634 17.824 -10.266 1.00 0.00 C ATOM 974 NZ LYS A 60 99.196 19.077 -10.941 1.00 0.00 N ATOM 0 H LYS A 60 99.762 12.656 -12.593 1.00 0.00 H new ATOM 0 HA LYS A 60 98.978 12.783 -9.678 1.00 0.00 H new ATOM 0 HB2 LYS A 60 98.040 14.459 -12.084 1.00 0.00 H new ATOM 0 HB3 LYS A 60 97.239 14.460 -10.525 1.00 0.00 H new ATOM 0 HG2 LYS A 60 99.426 15.192 -9.454 1.00 0.00 H new ATOM 0 HG3 LYS A 60 100.136 15.297 -11.053 1.00 0.00 H new ATOM 0 HD2 LYS A 60 98.302 16.926 -11.713 1.00 0.00 H new ATOM 0 HD3 LYS A 60 97.703 16.873 -10.067 1.00 0.00 H new ATOM 0 HE2 LYS A 60 99.663 17.948 -9.183 1.00 0.00 H new ATOM 0 HE3 LYS A 60 100.637 17.536 -10.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 99.856 19.846 -10.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 99.185 18.931 -11.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 98.241 19.330 -10.617 1.00 0.00 H new ATOM 988 N ASN A 61 96.857 11.496 -10.184 1.00 0.00 N ATOM 989 CA ASN A 61 95.811 10.470 -10.480 1.00 0.00 C ATOM 990 C ASN A 61 94.492 11.153 -10.851 1.00 0.00 C ATOM 991 O ASN A 61 93.909 11.868 -10.056 1.00 0.00 O ATOM 992 CB ASN A 61 95.656 9.674 -9.183 1.00 0.00 C ATOM 993 CG ASN A 61 94.842 8.408 -9.454 1.00 0.00 C ATOM 994 OD1 ASN A 61 95.264 7.549 -10.203 1.00 0.00 O ATOM 995 ND2 ASN A 61 93.683 8.255 -8.874 1.00 0.00 N ATOM 0 H ASN A 61 96.842 11.865 -9.233 1.00 0.00 H new ATOM 0 HA ASN A 61 96.086 9.831 -11.319 1.00 0.00 H new ATOM 0 HB2 ASN A 61 96.637 9.410 -8.787 1.00 0.00 H new ATOM 0 HB3 ASN A 61 95.160 10.283 -8.427 1.00 0.00 H new ATOM 0 HD21 ASN A 61 93.132 7.415 -9.049 1.00 0.00 H new ATOM 0 HD22 ASN A 61 93.328 8.976 -8.245 1.00 0.00 H new ATOM 1002 N GLU A 62 94.019 10.936 -12.056 1.00 0.00 N ATOM 1003 CA GLU A 62 92.740 11.572 -12.494 1.00 0.00 C ATOM 1004 C GLU A 62 91.589 10.565 -12.400 1.00 0.00 C ATOM 1005 O GLU A 62 91.711 9.432 -12.827 1.00 0.00 O ATOM 1006 CB GLU A 62 92.981 11.979 -13.950 1.00 0.00 C ATOM 1007 CG GLU A 62 91.814 12.841 -14.442 1.00 0.00 C ATOM 1008 CD GLU A 62 91.868 14.221 -13.778 1.00 0.00 C ATOM 1009 OE1 GLU A 62 92.964 14.725 -13.585 1.00 0.00 O ATOM 1010 OE2 GLU A 62 90.813 14.751 -13.473 1.00 0.00 O ATOM 0 H GLU A 62 94.467 10.344 -12.755 1.00 0.00 H new ATOM 0 HA GLU A 62 92.466 12.424 -11.872 1.00 0.00 H new ATOM 0 HB2 GLU A 62 93.916 12.533 -14.033 1.00 0.00 H new ATOM 0 HB3 GLU A 62 93.080 11.091 -14.575 1.00 0.00 H new ATOM 0 HG2 GLU A 62 91.861 12.947 -15.526 1.00 0.00 H new ATOM 0 HG3 GLU A 62 90.867 12.353 -14.210 1.00 0.00 H new ATOM 1017 N ILE A 63 90.476 10.975 -11.842 1.00 0.00 N ATOM 1018 CA ILE A 63 89.302 10.053 -11.715 1.00 0.00 C ATOM 1019 C ILE A 63 88.095 10.650 -12.451 1.00 0.00 C ATOM 1020 O ILE A 63 87.835 11.836 -12.371 1.00 0.00 O ATOM 1021 CB ILE A 63 89.028 9.947 -10.204 1.00 0.00 C ATOM 1022 CG1 ILE A 63 90.259 9.373 -9.490 1.00 0.00 C ATOM 1023 CG2 ILE A 63 87.832 9.018 -9.958 1.00 0.00 C ATOM 1024 CD1 ILE A 63 90.155 9.644 -7.986 1.00 0.00 C ATOM 0 H ILE A 63 90.329 11.912 -11.467 1.00 0.00 H new ATOM 0 HA ILE A 63 89.492 9.073 -12.152 1.00 0.00 H new ATOM 0 HB ILE A 63 88.809 10.941 -9.815 1.00 0.00 H new ATOM 0 HG12 ILE A 63 90.330 8.301 -9.672 1.00 0.00 H new ATOM 0 HG13 ILE A 63 91.167 9.825 -9.889 1.00 0.00 H new ATOM 0 HG21 ILE A 63 87.642 8.946 -8.887 1.00 0.00 H new ATOM 0 HG22 ILE A 63 86.950 9.420 -10.457 1.00 0.00 H new ATOM 0 HG23 ILE A 63 88.053 8.027 -10.355 1.00 0.00 H new ATOM 0 HD11 ILE A 63 91.030 9.235 -7.481 1.00 0.00 H new ATOM 0 HD12 ILE A 63 90.105 10.719 -7.813 1.00 0.00 H new ATOM 0 HD13 ILE A 63 89.255 9.171 -7.592 1.00 0.00 H new ATOM 1036 N MET A 64 87.362 9.830 -13.166 1.00 0.00 N ATOM 1037 CA MET A 64 86.161 10.336 -13.904 1.00 0.00 C ATOM 1038 C MET A 64 84.940 10.358 -12.971 1.00 0.00 C ATOM 1039 O MET A 64 84.931 9.675 -11.965 1.00 0.00 O ATOM 1040 CB MET A 64 85.944 9.344 -15.049 1.00 0.00 C ATOM 1041 CG MET A 64 86.828 9.730 -16.238 1.00 0.00 C ATOM 1042 SD MET A 64 88.512 9.124 -15.962 1.00 0.00 S ATOM 1043 CE MET A 64 89.344 10.228 -17.130 1.00 0.00 C ATOM 0 H MET A 64 87.544 8.832 -13.270 1.00 0.00 H new ATOM 0 HA MET A 64 86.302 11.352 -14.272 1.00 0.00 H new ATOM 0 HB2 MET A 64 86.183 8.333 -14.718 1.00 0.00 H new ATOM 0 HB3 MET A 64 84.896 9.342 -15.348 1.00 0.00 H new ATOM 0 HG2 MET A 64 86.424 9.306 -17.158 1.00 0.00 H new ATOM 0 HG3 MET A 64 86.836 10.813 -16.362 1.00 0.00 H new ATOM 0 HE1 MET A 64 90.415 10.024 -17.123 1.00 0.00 H new ATOM 0 HE2 MET A 64 88.949 10.062 -18.132 1.00 0.00 H new ATOM 0 HE3 MET A 64 89.170 11.264 -16.839 1.00 0.00 H new ATOM 1053 N PRO A 65 83.942 11.144 -13.333 1.00 0.00 N ATOM 1054 CA PRO A 65 82.720 11.251 -12.490 1.00 0.00 C ATOM 1055 C PRO A 65 81.952 9.923 -12.491 1.00 0.00 C ATOM 1056 O PRO A 65 81.374 9.533 -13.488 1.00 0.00 O ATOM 1057 CB PRO A 65 81.901 12.355 -13.162 1.00 0.00 C ATOM 1058 CG PRO A 65 82.419 12.440 -14.562 1.00 0.00 C ATOM 1059 CD PRO A 65 83.855 11.991 -14.533 1.00 0.00 C ATOM 0 HA PRO A 65 82.943 11.475 -11.447 1.00 0.00 H new ATOM 0 HB2 PRO A 65 80.837 12.117 -13.151 1.00 0.00 H new ATOM 0 HB3 PRO A 65 82.020 13.305 -12.641 1.00 0.00 H new ATOM 0 HG2 PRO A 65 81.832 11.808 -15.229 1.00 0.00 H new ATOM 0 HG3 PRO A 65 82.342 13.460 -14.939 1.00 0.00 H new ATOM 0 HD2 PRO A 65 84.117 11.435 -15.433 1.00 0.00 H new ATOM 0 HD3 PRO A 65 84.537 12.839 -14.472 1.00 0.00 H new ATOM 1067 N LYS A 66 81.947 9.232 -11.377 1.00 0.00 N ATOM 1068 CA LYS A 66 81.214 7.931 -11.292 1.00 0.00 C ATOM 1069 C LYS A 66 80.399 7.867 -9.997 1.00 0.00 C ATOM 1070 O LYS A 66 80.765 8.459 -8.998 1.00 0.00 O ATOM 1071 CB LYS A 66 82.304 6.857 -11.293 1.00 0.00 C ATOM 1072 CG LYS A 66 83.016 6.849 -12.647 1.00 0.00 C ATOM 1073 CD LYS A 66 84.026 5.700 -12.687 1.00 0.00 C ATOM 1074 CE LYS A 66 84.814 5.756 -13.998 1.00 0.00 C ATOM 1075 NZ LYS A 66 85.471 4.424 -14.108 1.00 0.00 N ATOM 0 H LYS A 66 82.421 9.515 -10.519 1.00 0.00 H new ATOM 0 HA LYS A 66 80.513 7.799 -12.116 1.00 0.00 H new ATOM 0 HB2 LYS A 66 83.021 7.051 -10.495 1.00 0.00 H new ATOM 0 HB3 LYS A 66 81.865 5.879 -11.096 1.00 0.00 H new ATOM 0 HG2 LYS A 66 82.289 6.736 -13.451 1.00 0.00 H new ATOM 0 HG3 LYS A 66 83.524 7.800 -12.808 1.00 0.00 H new ATOM 0 HD2 LYS A 66 84.706 5.771 -11.838 1.00 0.00 H new ATOM 0 HD3 LYS A 66 83.509 4.744 -12.602 1.00 0.00 H new ATOM 0 HE2 LYS A 66 84.156 5.943 -14.847 1.00 0.00 H new ATOM 0 HE3 LYS A 66 85.550 6.560 -13.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 86.031 4.384 -14.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 86.096 4.277 -13.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 84.745 3.679 -14.128 1.00 0.00 H new ATOM 1089 N ASN A 67 79.300 7.152 -10.012 1.00 0.00 N ATOM 1090 CA ASN A 67 78.460 7.030 -8.777 1.00 0.00 C ATOM 1091 C ASN A 67 78.957 5.864 -7.911 1.00 0.00 C ATOM 1092 O ASN A 67 79.614 4.962 -8.394 1.00 0.00 O ATOM 1093 CB ASN A 67 77.024 6.783 -9.272 1.00 0.00 C ATOM 1094 CG ASN A 67 76.947 5.487 -10.092 1.00 0.00 C ATOM 1095 OD1 ASN A 67 77.229 4.418 -9.589 1.00 0.00 O ATOM 1096 ND2 ASN A 67 76.574 5.541 -11.341 1.00 0.00 N ATOM 0 H ASN A 67 78.948 6.647 -10.825 1.00 0.00 H new ATOM 0 HA ASN A 67 78.512 7.925 -8.157 1.00 0.00 H new ATOM 0 HB2 ASN A 67 76.346 6.721 -8.421 1.00 0.00 H new ATOM 0 HB3 ASN A 67 76.694 7.625 -9.881 1.00 0.00 H new ATOM 0 HD21 ASN A 67 76.519 4.686 -11.894 1.00 0.00 H new ATOM 0 HD22 ASN A 67 76.337 6.438 -11.764 1.00 0.00 H new ATOM 1103 N GLY A 68 78.644 5.884 -6.637 1.00 0.00 N ATOM 1104 CA GLY A 68 79.102 4.789 -5.727 1.00 0.00 C ATOM 1105 C GLY A 68 80.333 5.245 -4.935 1.00 0.00 C ATOM 1106 O GLY A 68 80.564 4.794 -3.828 1.00 0.00 O ATOM 0 H GLY A 68 78.090 6.614 -6.188 1.00 0.00 H new ATOM 0 HA2 GLY A 68 78.300 4.515 -5.042 1.00 0.00 H new ATOM 0 HA3 GLY A 68 79.343 3.899 -6.308 1.00 0.00 H new ATOM 1110 N THR A 69 81.123 6.137 -5.492 1.00 0.00 N ATOM 1111 CA THR A 69 82.351 6.620 -4.776 1.00 0.00 C ATOM 1112 C THR A 69 81.967 7.342 -3.479 1.00 0.00 C ATOM 1113 O THR A 69 82.680 7.283 -2.494 1.00 0.00 O ATOM 1114 CB THR A 69 83.034 7.590 -5.747 1.00 0.00 C ATOM 1115 OG1 THR A 69 83.170 6.968 -7.016 1.00 0.00 O ATOM 1116 CG2 THR A 69 84.417 7.965 -5.211 1.00 0.00 C ATOM 0 H THR A 69 80.970 6.551 -6.412 1.00 0.00 H new ATOM 0 HA THR A 69 83.008 5.796 -4.497 1.00 0.00 H new ATOM 0 HB THR A 69 82.429 8.491 -5.845 1.00 0.00 H new ATOM 0 HG1 THR A 69 83.605 7.587 -7.639 1.00 0.00 H new ATOM 0 HG21 THR A 69 84.901 8.655 -5.903 1.00 0.00 H new ATOM 0 HG22 THR A 69 84.312 8.442 -4.237 1.00 0.00 H new ATOM 0 HG23 THR A 69 85.025 7.066 -5.111 1.00 0.00 H new ATOM 1124 N LYS A 70 80.846 8.022 -3.478 1.00 0.00 N ATOM 1125 CA LYS A 70 80.405 8.752 -2.246 1.00 0.00 C ATOM 1126 C LYS A 70 79.690 7.790 -1.292 1.00 0.00 C ATOM 1127 O LYS A 70 78.795 7.066 -1.686 1.00 0.00 O ATOM 1128 CB LYS A 70 79.440 9.834 -2.737 1.00 0.00 C ATOM 1129 CG LYS A 70 80.205 10.863 -3.573 1.00 0.00 C ATOM 1130 CD LYS A 70 79.261 11.997 -3.975 1.00 0.00 C ATOM 1131 CE LYS A 70 79.996 12.973 -4.897 1.00 0.00 C ATOM 1132 NZ LYS A 70 80.714 13.901 -3.980 1.00 0.00 N ATOM 0 H LYS A 70 80.217 8.104 -4.277 1.00 0.00 H new ATOM 0 HA LYS A 70 81.246 9.180 -1.701 1.00 0.00 H new ATOM 0 HB2 LYS A 70 78.646 9.384 -3.333 1.00 0.00 H new ATOM 0 HB3 LYS A 70 78.963 10.323 -1.888 1.00 0.00 H new ATOM 0 HG2 LYS A 70 81.044 11.260 -3.002 1.00 0.00 H new ATOM 0 HG3 LYS A 70 80.620 10.389 -4.462 1.00 0.00 H new ATOM 0 HD2 LYS A 70 78.385 11.592 -4.481 1.00 0.00 H new ATOM 0 HD3 LYS A 70 78.904 12.519 -3.087 1.00 0.00 H new ATOM 0 HE2 LYS A 70 80.692 12.449 -5.553 1.00 0.00 H new ATOM 0 HE3 LYS A 70 79.298 13.512 -5.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 81.242 14.601 -4.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 80.026 14.390 -3.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 81.376 13.360 -3.387 1.00 0.00 H new ATOM 1146 N SER A 71 80.084 7.781 -0.042 1.00 0.00 N ATOM 1147 CA SER A 71 79.444 6.856 0.948 1.00 0.00 C ATOM 1148 C SER A 71 78.184 7.497 1.567 1.00 0.00 C ATOM 1149 O SER A 71 77.145 6.868 1.594 1.00 0.00 O ATOM 1150 CB SER A 71 80.511 6.589 2.018 1.00 0.00 C ATOM 1151 OG SER A 71 80.605 5.188 2.245 1.00 0.00 O ATOM 0 H SER A 71 80.822 8.375 0.337 1.00 0.00 H new ATOM 0 HA SER A 71 79.114 5.930 0.476 1.00 0.00 H new ATOM 0 HB2 SER A 71 81.474 6.983 1.694 1.00 0.00 H new ATOM 0 HB3 SER A 71 80.252 7.103 2.944 1.00 0.00 H new ATOM 0 HG SER A 71 81.287 5.012 2.927 1.00 0.00 H new ATOM 1157 N PRO A 72 78.299 8.728 2.052 1.00 0.00 N ATOM 1158 CA PRO A 72 77.127 9.402 2.684 1.00 0.00 C ATOM 1159 C PRO A 72 75.966 9.540 1.686 1.00 0.00 C ATOM 1160 O PRO A 72 74.810 9.541 2.069 1.00 0.00 O ATOM 1161 CB PRO A 72 77.656 10.782 3.092 1.00 0.00 C ATOM 1162 CG PRO A 72 79.146 10.670 3.057 1.00 0.00 C ATOM 1163 CD PRO A 72 79.489 9.596 2.063 1.00 0.00 C ATOM 0 HA PRO A 72 76.734 8.838 3.530 1.00 0.00 H new ATOM 0 HB2 PRO A 72 77.305 11.554 2.407 1.00 0.00 H new ATOM 0 HB3 PRO A 72 77.307 11.056 4.088 1.00 0.00 H new ATOM 0 HG2 PRO A 72 79.596 11.620 2.768 1.00 0.00 H new ATOM 0 HG3 PRO A 72 79.536 10.420 4.044 1.00 0.00 H new ATOM 0 HD2 PRO A 72 79.687 10.014 1.076 1.00 0.00 H new ATOM 0 HD3 PRO A 72 80.382 9.046 2.361 1.00 0.00 H new ATOM 1171 N SER A 73 76.270 9.654 0.415 1.00 0.00 N ATOM 1172 CA SER A 73 75.192 9.835 -0.614 1.00 0.00 C ATOM 1173 C SER A 73 74.285 8.600 -0.669 1.00 0.00 C ATOM 1174 O SER A 73 73.097 8.705 -0.915 1.00 0.00 O ATOM 1175 CB SER A 73 75.924 10.018 -1.944 1.00 0.00 C ATOM 1176 OG SER A 73 76.827 11.110 -1.836 1.00 0.00 O ATOM 0 H SER A 73 77.220 9.630 0.043 1.00 0.00 H new ATOM 0 HA SER A 73 74.553 10.687 -0.381 1.00 0.00 H new ATOM 0 HB2 SER A 73 76.465 9.108 -2.203 1.00 0.00 H new ATOM 0 HB3 SER A 73 75.207 10.201 -2.745 1.00 0.00 H new ATOM 0 HG SER A 73 76.933 11.535 -2.713 1.00 0.00 H new ATOM 1182 N THR A 74 74.839 7.433 -0.444 1.00 0.00 N ATOM 1183 CA THR A 74 74.025 6.179 -0.516 1.00 0.00 C ATOM 1184 C THR A 74 74.074 5.437 0.824 1.00 0.00 C ATOM 1185 O THR A 74 74.864 5.759 1.691 1.00 0.00 O ATOM 1186 CB THR A 74 74.684 5.341 -1.615 1.00 0.00 C ATOM 1187 OG1 THR A 74 76.068 5.196 -1.332 1.00 0.00 O ATOM 1188 CG2 THR A 74 74.506 6.034 -2.967 1.00 0.00 C ATOM 0 H THR A 74 75.823 7.295 -0.213 1.00 0.00 H new ATOM 0 HA THR A 74 72.975 6.381 -0.730 1.00 0.00 H new ATOM 0 HB THR A 74 74.216 4.357 -1.651 1.00 0.00 H new ATOM 0 HG1 THR A 74 76.491 4.658 -2.034 1.00 0.00 H new ATOM 0 HG21 THR A 74 74.976 5.435 -3.747 1.00 0.00 H new ATOM 0 HG22 THR A 74 73.443 6.142 -3.183 1.00 0.00 H new ATOM 0 HG23 THR A 74 74.972 7.019 -2.935 1.00 0.00 H new ATOM 1196 N ASN A 75 73.229 4.448 0.994 1.00 0.00 N ATOM 1197 CA ASN A 75 73.226 3.665 2.267 1.00 0.00 C ATOM 1198 C ASN A 75 73.930 2.320 2.061 1.00 0.00 C ATOM 1199 O ASN A 75 73.443 1.461 1.350 1.00 0.00 O ATOM 1200 CB ASN A 75 71.749 3.452 2.602 1.00 0.00 C ATOM 1201 CG ASN A 75 71.098 4.795 2.941 1.00 0.00 C ATOM 1202 OD1 ASN A 75 71.713 5.646 3.552 1.00 0.00 O ATOM 1203 ND2 ASN A 75 69.868 5.022 2.567 1.00 0.00 N ATOM 0 H ASN A 75 72.540 4.150 0.303 1.00 0.00 H new ATOM 0 HA ASN A 75 73.753 4.181 3.069 1.00 0.00 H new ATOM 0 HB2 ASN A 75 71.237 2.992 1.757 1.00 0.00 H new ATOM 0 HB3 ASN A 75 71.652 2.767 3.444 1.00 0.00 H new ATOM 0 HD21 ASN A 75 69.424 5.913 2.788 1.00 0.00 H new ATOM 0 HD22 ASN A 75 69.351 4.308 2.054 1.00 0.00 H new ATOM 1210 N SER A 76 75.072 2.138 2.679 1.00 0.00 N ATOM 1211 CA SER A 76 75.816 0.850 2.533 1.00 0.00 C ATOM 1212 C SER A 76 76.508 0.487 3.850 1.00 0.00 C ATOM 1213 O SER A 76 76.764 1.342 4.680 1.00 0.00 O ATOM 1214 CB SER A 76 76.850 1.112 1.438 1.00 0.00 C ATOM 1215 OG SER A 76 77.803 2.056 1.909 1.00 0.00 O ATOM 0 H SER A 76 75.521 2.829 3.280 1.00 0.00 H new ATOM 0 HA SER A 76 75.158 0.019 2.281 1.00 0.00 H new ATOM 0 HB2 SER A 76 77.348 0.182 1.162 1.00 0.00 H new ATOM 0 HB3 SER A 76 76.359 1.490 0.541 1.00 0.00 H new ATOM 0 HG SER A 76 78.469 2.225 1.210 1.00 0.00 H new ATOM 1221 N THR A 77 76.811 -0.773 4.044 1.00 0.00 N ATOM 1222 CA THR A 77 77.487 -1.208 5.307 1.00 0.00 C ATOM 1223 C THR A 77 78.846 -1.846 4.997 1.00 0.00 C ATOM 1224 O THR A 77 79.312 -2.706 5.722 1.00 0.00 O ATOM 1225 CB THR A 77 76.541 -2.238 5.927 1.00 0.00 C ATOM 1226 OG1 THR A 77 76.235 -3.237 4.964 1.00 0.00 O ATOM 1227 CG2 THR A 77 75.254 -1.548 6.378 1.00 0.00 C ATOM 0 H THR A 77 76.619 -1.522 3.379 1.00 0.00 H new ATOM 0 HA THR A 77 77.679 -0.371 5.978 1.00 0.00 H new ATOM 0 HB THR A 77 77.022 -2.700 6.790 1.00 0.00 H new ATOM 0 HG1 THR A 77 75.630 -3.899 5.360 1.00 0.00 H new ATOM 0 HG21 THR A 77 74.582 -2.284 6.819 1.00 0.00 H new ATOM 0 HG22 THR A 77 75.491 -0.784 7.118 1.00 0.00 H new ATOM 0 HG23 THR A 77 74.770 -1.084 5.519 1.00 0.00 H new ATOM 1235 N LYS A 78 79.483 -1.431 3.927 1.00 0.00 N ATOM 1236 CA LYS A 78 80.812 -2.010 3.565 1.00 0.00 C ATOM 1237 C LYS A 78 81.936 -1.057 3.985 1.00 0.00 C ATOM 1238 O LYS A 78 82.044 0.045 3.481 1.00 0.00 O ATOM 1239 CB LYS A 78 80.776 -2.165 2.044 1.00 0.00 C ATOM 1240 CG LYS A 78 81.959 -3.021 1.588 1.00 0.00 C ATOM 1241 CD LYS A 78 81.904 -3.202 0.070 1.00 0.00 C ATOM 1242 CE LYS A 78 82.998 -4.178 -0.368 1.00 0.00 C ATOM 1243 NZ LYS A 78 82.603 -4.606 -1.740 1.00 0.00 N ATOM 0 H LYS A 78 79.137 -0.714 3.289 1.00 0.00 H new ATOM 0 HA LYS A 78 81.000 -2.960 4.065 1.00 0.00 H new ATOM 0 HB2 LYS A 78 79.839 -2.629 1.738 1.00 0.00 H new ATOM 0 HB3 LYS A 78 80.817 -1.186 1.567 1.00 0.00 H new ATOM 0 HG2 LYS A 78 82.897 -2.545 1.874 1.00 0.00 H new ATOM 0 HG3 LYS A 78 81.930 -3.992 2.082 1.00 0.00 H new ATOM 0 HD2 LYS A 78 80.925 -3.579 -0.227 1.00 0.00 H new ATOM 0 HD3 LYS A 78 82.039 -2.241 -0.427 1.00 0.00 H new ATOM 0 HE2 LYS A 78 83.977 -3.699 -0.370 1.00 0.00 H new ATOM 0 HE3 LYS A 78 83.061 -5.030 0.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 83.305 -5.278 -2.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 81.670 -5.064 -1.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 82.557 -3.775 -2.363 1.00 0.00 H new ATOM 1257 N LEU A 79 82.770 -1.480 4.904 1.00 0.00 N ATOM 1258 CA LEU A 79 83.879 -0.596 5.389 1.00 0.00 C ATOM 1259 C LEU A 79 85.010 -0.539 4.356 1.00 0.00 C ATOM 1260 O LEU A 79 85.682 0.467 4.220 1.00 0.00 O ATOM 1261 CB LEU A 79 84.374 -1.236 6.688 1.00 0.00 C ATOM 1262 CG LEU A 79 83.382 -0.939 7.815 1.00 0.00 C ATOM 1263 CD1 LEU A 79 82.216 -1.928 7.746 1.00 0.00 C ATOM 1264 CD2 LEU A 79 84.088 -1.080 9.165 1.00 0.00 C ATOM 0 H LEU A 79 82.731 -2.401 5.341 1.00 0.00 H new ATOM 0 HA LEU A 79 83.540 0.428 5.546 1.00 0.00 H new ATOM 0 HB2 LEU A 79 84.480 -2.313 6.558 1.00 0.00 H new ATOM 0 HB3 LEU A 79 85.359 -0.847 6.945 1.00 0.00 H new ATOM 0 HG LEU A 79 83.003 0.077 7.705 1.00 0.00 H new ATOM 0 HD11 LEU A 79 81.510 -1.715 8.549 1.00 0.00 H new ATOM 0 HD12 LEU A 79 81.712 -1.830 6.785 1.00 0.00 H new ATOM 0 HD13 LEU A 79 82.594 -2.944 7.855 1.00 0.00 H new ATOM 0 HD21 LEU A 79 83.382 -0.869 9.968 1.00 0.00 H new ATOM 0 HD22 LEU A 79 84.467 -2.096 9.273 1.00 0.00 H new ATOM 0 HD23 LEU A 79 84.918 -0.376 9.217 1.00 0.00 H new ATOM 1276 N LYS A 80 85.222 -1.612 3.628 1.00 0.00 N ATOM 1277 CA LYS A 80 86.347 -1.650 2.633 1.00 0.00 C ATOM 1278 C LYS A 80 86.158 -0.570 1.560 1.00 0.00 C ATOM 1279 O LYS A 80 87.110 0.037 1.107 1.00 0.00 O ATOM 1280 CB LYS A 80 86.289 -3.044 2.003 1.00 0.00 C ATOM 1281 CG LYS A 80 86.628 -4.098 3.059 1.00 0.00 C ATOM 1282 CD LYS A 80 86.681 -5.479 2.404 1.00 0.00 C ATOM 1283 CE LYS A 80 86.915 -6.545 3.476 1.00 0.00 C ATOM 1284 NZ LYS A 80 85.571 -6.799 4.066 1.00 0.00 N ATOM 0 H LYS A 80 84.664 -2.465 3.679 1.00 0.00 H new ATOM 0 HA LYS A 80 87.309 -1.458 3.108 1.00 0.00 H new ATOM 0 HB2 LYS A 80 85.295 -3.229 1.596 1.00 0.00 H new ATOM 0 HB3 LYS A 80 86.991 -3.108 1.172 1.00 0.00 H new ATOM 0 HG2 LYS A 80 87.587 -3.867 3.524 1.00 0.00 H new ATOM 0 HG3 LYS A 80 85.879 -4.088 3.851 1.00 0.00 H new ATOM 0 HD2 LYS A 80 85.749 -5.678 1.876 1.00 0.00 H new ATOM 0 HD3 LYS A 80 87.480 -5.511 1.664 1.00 0.00 H new ATOM 0 HE2 LYS A 80 87.335 -7.454 3.044 1.00 0.00 H new ATOM 0 HE3 LYS A 80 87.619 -6.197 4.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 85.604 -7.662 4.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 85.295 -5.992 4.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 84.874 -6.921 3.303 1.00 0.00 H new ATOM 1298 N SER A 81 84.933 -0.332 1.154 1.00 0.00 N ATOM 1299 CA SER A 81 84.670 0.722 0.121 1.00 0.00 C ATOM 1300 C SER A 81 84.957 2.114 0.697 1.00 0.00 C ATOM 1301 O SER A 81 85.380 3.010 -0.011 1.00 0.00 O ATOM 1302 CB SER A 81 83.188 0.587 -0.233 1.00 0.00 C ATOM 1303 OG SER A 81 82.401 0.942 0.897 1.00 0.00 O ATOM 0 H SER A 81 84.105 -0.821 1.493 1.00 0.00 H new ATOM 0 HA SER A 81 85.307 0.600 -0.755 1.00 0.00 H new ATOM 0 HB2 SER A 81 82.944 1.231 -1.078 1.00 0.00 H new ATOM 0 HB3 SER A 81 82.967 -0.436 -0.538 1.00 0.00 H new ATOM 0 HG SER A 81 82.499 0.258 1.592 1.00 0.00 H new ATOM 1309 N ALA A 82 84.728 2.295 1.976 1.00 0.00 N ATOM 1310 CA ALA A 82 84.988 3.628 2.611 1.00 0.00 C ATOM 1311 C ALA A 82 86.491 3.921 2.643 1.00 0.00 C ATOM 1312 O ALA A 82 86.904 5.058 2.532 1.00 0.00 O ATOM 1313 CB ALA A 82 84.436 3.516 4.036 1.00 0.00 C ATOM 0 H ALA A 82 84.372 1.578 2.608 1.00 0.00 H new ATOM 0 HA ALA A 82 84.517 4.439 2.056 1.00 0.00 H new ATOM 0 HB1 ALA A 82 84.592 4.458 4.562 1.00 0.00 H new ATOM 0 HB2 ALA A 82 83.369 3.295 3.997 1.00 0.00 H new ATOM 0 HB3 ALA A 82 84.953 2.715 4.565 1.00 0.00 H new ATOM 1319 N GLU A 83 87.305 2.895 2.792 1.00 0.00 N ATOM 1320 CA GLU A 83 88.799 3.071 2.876 1.00 0.00 C ATOM 1321 C GLU A 83 89.187 4.024 4.024 1.00 0.00 C ATOM 1322 O GLU A 83 89.545 3.580 5.100 1.00 0.00 O ATOM 1323 CB GLU A 83 89.241 3.620 1.509 1.00 0.00 C ATOM 1324 CG GLU A 83 88.992 2.564 0.430 1.00 0.00 C ATOM 1325 CD GLU A 83 89.517 3.072 -0.913 1.00 0.00 C ATOM 1326 OE1 GLU A 83 88.863 3.918 -1.501 1.00 0.00 O ATOM 1327 OE2 GLU A 83 90.564 2.607 -1.332 1.00 0.00 O ATOM 0 H GLU A 83 86.992 1.927 2.860 1.00 0.00 H new ATOM 0 HA GLU A 83 89.297 2.127 3.096 1.00 0.00 H new ATOM 0 HB2 GLU A 83 88.690 4.531 1.276 1.00 0.00 H new ATOM 0 HB3 GLU A 83 90.298 3.885 1.536 1.00 0.00 H new ATOM 0 HG2 GLU A 83 89.489 1.632 0.697 1.00 0.00 H new ATOM 0 HG3 GLU A 83 87.926 2.348 0.357 1.00 0.00 H new ATOM 1334 N THR A 84 89.120 5.319 3.810 1.00 0.00 N ATOM 1335 CA THR A 84 89.491 6.285 4.892 1.00 0.00 C ATOM 1336 C THR A 84 88.309 6.484 5.846 1.00 0.00 C ATOM 1337 O THR A 84 87.188 6.689 5.420 1.00 0.00 O ATOM 1338 CB THR A 84 89.825 7.594 4.169 1.00 0.00 C ATOM 1339 OG1 THR A 84 90.776 7.336 3.145 1.00 0.00 O ATOM 1340 CG2 THR A 84 90.408 8.601 5.164 1.00 0.00 C ATOM 0 H THR A 84 88.824 5.747 2.932 1.00 0.00 H new ATOM 0 HA THR A 84 90.330 5.930 5.491 1.00 0.00 H new ATOM 0 HB THR A 84 88.916 8.007 3.731 1.00 0.00 H new ATOM 0 HG1 THR A 84 91.590 6.961 3.542 1.00 0.00 H new ATOM 0 HG21 THR A 84 90.644 9.530 4.645 1.00 0.00 H new ATOM 0 HG22 THR A 84 89.679 8.799 5.950 1.00 0.00 H new ATOM 0 HG23 THR A 84 91.316 8.192 5.606 1.00 0.00 H new ATOM 1348 N TYR A 85 88.557 6.424 7.134 1.00 0.00 N ATOM 1349 CA TYR A 85 87.454 6.623 8.130 1.00 0.00 C ATOM 1350 C TYR A 85 86.931 8.060 8.060 1.00 0.00 C ATOM 1351 O TYR A 85 85.740 8.301 8.145 1.00 0.00 O ATOM 1352 CB TYR A 85 88.082 6.349 9.498 1.00 0.00 C ATOM 1353 CG TYR A 85 87.085 6.357 10.632 1.00 0.00 C ATOM 1354 CD1 TYR A 85 86.803 7.563 11.320 1.00 0.00 C ATOM 1355 CD2 TYR A 85 86.431 5.158 11.008 1.00 0.00 C ATOM 1356 CE1 TYR A 85 85.868 7.570 12.382 1.00 0.00 C ATOM 1357 CE2 TYR A 85 85.496 5.165 12.071 1.00 0.00 C ATOM 1358 CZ TYR A 85 85.213 6.370 12.759 1.00 0.00 C ATOM 1359 OH TYR A 85 84.302 6.377 13.794 1.00 0.00 O ATOM 0 H TYR A 85 89.476 6.246 7.539 1.00 0.00 H new ATOM 0 HA TYR A 85 86.608 5.964 7.936 1.00 0.00 H new ATOM 0 HB2 TYR A 85 88.582 5.381 9.472 1.00 0.00 H new ATOM 0 HB3 TYR A 85 88.849 7.099 9.694 1.00 0.00 H new ATOM 0 HD1 TYR A 85 87.302 8.477 11.034 1.00 0.00 H new ATOM 0 HD2 TYR A 85 86.646 4.239 10.484 1.00 0.00 H new ATOM 0 HE1 TYR A 85 85.653 8.490 12.906 1.00 0.00 H new ATOM 0 HE2 TYR A 85 84.998 4.250 12.358 1.00 0.00 H new ATOM 0 HH TYR A 85 83.945 5.473 13.922 1.00 0.00 H new ATOM 1369 N SER A 86 87.817 9.015 7.904 1.00 0.00 N ATOM 1370 CA SER A 86 87.385 10.441 7.795 1.00 0.00 C ATOM 1371 C SER A 86 88.319 11.203 6.847 1.00 0.00 C ATOM 1372 O SER A 86 87.923 11.605 5.768 1.00 0.00 O ATOM 1373 CB SER A 86 87.482 10.996 9.217 1.00 0.00 C ATOM 1374 OG SER A 86 88.766 10.699 9.749 1.00 0.00 O ATOM 0 H SER A 86 88.824 8.865 7.848 1.00 0.00 H new ATOM 0 HA SER A 86 86.377 10.540 7.392 1.00 0.00 H new ATOM 0 HB2 SER A 86 87.318 12.074 9.211 1.00 0.00 H new ATOM 0 HB3 SER A 86 86.705 10.559 9.844 1.00 0.00 H new ATOM 0 HG SER A 86 88.833 11.055 10.660 1.00 0.00 H new ATOM 1380 N SER A 87 89.554 11.403 7.245 1.00 0.00 N ATOM 1381 CA SER A 87 90.528 12.118 6.366 1.00 0.00 C ATOM 1382 C SER A 87 91.963 11.820 6.813 1.00 0.00 C ATOM 1383 O SER A 87 92.203 11.453 7.948 1.00 0.00 O ATOM 1384 CB SER A 87 90.209 13.602 6.544 1.00 0.00 C ATOM 1385 OG SER A 87 90.541 14.000 7.867 1.00 0.00 O ATOM 0 H SER A 87 89.928 11.100 8.144 1.00 0.00 H new ATOM 0 HA SER A 87 90.449 11.807 5.324 1.00 0.00 H new ATOM 0 HB2 SER A 87 90.770 14.195 5.822 1.00 0.00 H new ATOM 0 HB3 SER A 87 89.151 13.784 6.352 1.00 0.00 H new ATOM 0 HG SER A 87 90.339 14.952 7.983 1.00 0.00 H new ATOM 1391 N LYS A 88 92.920 11.978 5.921 1.00 0.00 N ATOM 1392 CA LYS A 88 94.366 11.748 6.274 1.00 0.00 C ATOM 1393 C LYS A 88 94.567 10.363 6.907 1.00 0.00 C ATOM 1394 O LYS A 88 94.428 10.194 8.105 1.00 0.00 O ATOM 1395 CB LYS A 88 94.729 12.854 7.273 1.00 0.00 C ATOM 1396 CG LYS A 88 94.660 14.216 6.577 1.00 0.00 C ATOM 1397 CD LYS A 88 95.111 15.310 7.547 1.00 0.00 C ATOM 1398 CE LYS A 88 94.918 16.681 6.896 1.00 0.00 C ATOM 1399 NZ LYS A 88 93.479 17.004 7.098 1.00 0.00 N ATOM 0 H LYS A 88 92.759 12.259 4.954 1.00 0.00 H new ATOM 0 HA LYS A 88 95.000 11.778 5.388 1.00 0.00 H new ATOM 0 HB2 LYS A 88 94.044 12.832 8.120 1.00 0.00 H new ATOM 0 HB3 LYS A 88 95.731 12.687 7.669 1.00 0.00 H new ATOM 0 HG2 LYS A 88 95.296 14.216 5.692 1.00 0.00 H new ATOM 0 HG3 LYS A 88 93.642 14.412 6.239 1.00 0.00 H new ATOM 0 HD2 LYS A 88 94.537 15.251 8.471 1.00 0.00 H new ATOM 0 HD3 LYS A 88 96.158 15.166 7.813 1.00 0.00 H new ATOM 0 HE2 LYS A 88 95.560 17.431 7.358 1.00 0.00 H new ATOM 0 HE3 LYS A 88 95.171 16.654 5.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 93.079 17.375 6.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 92.966 16.143 7.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 93.386 17.720 7.846 1.00 0.00 H new ATOM 1413 N ASN A 89 94.892 9.376 6.105 1.00 0.00 N ATOM 1414 CA ASN A 89 95.123 7.996 6.651 1.00 0.00 C ATOM 1415 C ASN A 89 96.342 7.986 7.579 1.00 0.00 C ATOM 1416 O ASN A 89 96.376 7.270 8.563 1.00 0.00 O ATOM 1417 CB ASN A 89 95.379 7.110 5.428 1.00 0.00 C ATOM 1418 CG ASN A 89 94.103 7.013 4.589 1.00 0.00 C ATOM 1419 OD1 ASN A 89 93.036 6.760 5.111 1.00 0.00 O ATOM 1420 ND2 ASN A 89 94.169 7.205 3.299 1.00 0.00 N ATOM 0 H ASN A 89 95.008 9.465 5.095 1.00 0.00 H new ATOM 0 HA ASN A 89 94.273 7.645 7.236 1.00 0.00 H new ATOM 0 HB2 ASN A 89 96.190 7.525 4.829 1.00 0.00 H new ATOM 0 HB3 ASN A 89 95.694 6.116 5.746 1.00 0.00 H new ATOM 0 HD21 ASN A 89 93.325 7.142 2.730 1.00 0.00 H new ATOM 0 HD22 ASN A 89 95.065 7.418 2.860 1.00 0.00 H new ATOM 1427 N LYS A 90 97.341 8.777 7.269 1.00 0.00 N ATOM 1428 CA LYS A 90 98.572 8.815 8.117 1.00 0.00 C ATOM 1429 C LYS A 90 98.585 10.084 8.974 1.00 0.00 C ATOM 1430 O LYS A 90 98.095 11.121 8.565 1.00 0.00 O ATOM 1431 CB LYS A 90 99.737 8.825 7.127 1.00 0.00 C ATOM 1432 CG LYS A 90 99.787 7.490 6.378 1.00 0.00 C ATOM 1433 CD LYS A 90 100.939 7.511 5.372 1.00 0.00 C ATOM 1434 CE LYS A 90 102.270 7.383 6.115 1.00 0.00 C ATOM 1435 NZ LYS A 90 103.299 7.268 5.044 1.00 0.00 N ATOM 0 H LYS A 90 97.356 9.400 6.462 1.00 0.00 H new ATOM 0 HA LYS A 90 98.627 7.969 8.802 1.00 0.00 H new ATOM 0 HB2 LYS A 90 99.619 9.646 6.420 1.00 0.00 H new ATOM 0 HB3 LYS A 90 100.675 8.992 7.656 1.00 0.00 H new ATOM 0 HG2 LYS A 90 99.921 6.670 7.084 1.00 0.00 H new ATOM 0 HG3 LYS A 90 98.843 7.315 5.862 1.00 0.00 H new ATOM 0 HD2 LYS A 90 100.828 6.693 4.660 1.00 0.00 H new ATOM 0 HD3 LYS A 90 100.918 8.438 4.799 1.00 0.00 H new ATOM 0 HE2 LYS A 90 102.454 8.251 6.748 1.00 0.00 H new ATOM 0 HE3 LYS A 90 102.277 6.508 6.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 103.882 6.423 5.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 102.830 7.187 4.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 103.904 8.114 5.052 1.00 0.00 H new ATOM 1449 N TRP A 91 99.145 10.006 10.159 1.00 0.00 N ATOM 1450 CA TRP A 91 99.203 11.211 11.051 1.00 0.00 C ATOM 1451 C TRP A 91 100.115 12.280 10.440 1.00 0.00 C ATOM 1452 O TRP A 91 99.802 13.457 10.462 1.00 0.00 O ATOM 1453 CB TRP A 91 99.782 10.709 12.376 1.00 0.00 C ATOM 1454 CG TRP A 91 98.814 9.903 13.183 1.00 0.00 C ATOM 1455 CD1 TRP A 91 97.614 10.348 13.628 1.00 0.00 C ATOM 1456 CD2 TRP A 91 98.942 8.529 13.648 1.00 0.00 C ATOM 1457 NE1 TRP A 91 96.992 9.334 14.338 1.00 0.00 N ATOM 1458 CE2 TRP A 91 97.764 8.191 14.382 1.00 0.00 C ATOM 1459 CE3 TRP A 91 99.955 7.540 13.509 1.00 0.00 C ATOM 1460 CZ2 TRP A 91 97.595 6.915 14.961 1.00 0.00 C ATOM 1461 CZ3 TRP A 91 99.790 6.255 14.089 1.00 0.00 C ATOM 1462 CH2 TRP A 91 98.611 5.943 14.813 1.00 0.00 C ATOM 0 H TRP A 91 99.564 9.161 10.547 1.00 0.00 H new ATOM 0 HA TRP A 91 98.222 11.666 11.185 1.00 0.00 H new ATOM 0 HB2 TRP A 91 100.665 10.103 12.171 1.00 0.00 H new ATOM 0 HB3 TRP A 91 100.112 11.564 12.966 1.00 0.00 H new ATOM 0 HD1 TRP A 91 97.208 11.334 13.457 1.00 0.00 H new ATOM 0 HE1 TRP A 91 96.075 9.422 14.775 1.00 0.00 H new ATOM 0 HE3 TRP A 91 100.856 7.768 12.958 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 96.696 6.683 15.513 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 100.566 5.512 13.979 1.00 0.00 H new ATOM 0 HH2 TRP A 91 98.489 4.963 15.251 1.00 0.00 H new ATOM 1473 N SER A 92 101.239 11.876 9.898 1.00 0.00 N ATOM 1474 CA SER A 92 102.173 12.856 9.264 1.00 0.00 C ATOM 1475 C SER A 92 103.143 12.132 8.325 1.00 0.00 C ATOM 1476 O SER A 92 103.123 12.335 7.125 1.00 0.00 O ATOM 1477 CB SER A 92 102.927 13.498 10.428 1.00 0.00 C ATOM 1478 OG SER A 92 103.989 14.293 9.918 1.00 0.00 O ATOM 0 H SER A 92 101.550 10.905 9.868 1.00 0.00 H new ATOM 0 HA SER A 92 101.647 13.598 8.664 1.00 0.00 H new ATOM 0 HB2 SER A 92 102.249 14.113 11.020 1.00 0.00 H new ATOM 0 HB3 SER A 92 103.320 12.727 11.091 1.00 0.00 H new ATOM 0 HG SER A 92 104.474 14.708 10.662 1.00 0.00 H new ATOM 1484 N MET A 93 103.992 11.292 8.866 1.00 0.00 N ATOM 1485 CA MET A 93 104.969 10.544 8.015 1.00 0.00 C ATOM 1486 C MET A 93 105.381 9.240 8.704 1.00 0.00 C ATOM 1487 O MET A 93 105.731 9.231 9.870 1.00 0.00 O ATOM 1488 CB MET A 93 106.170 11.481 7.877 1.00 0.00 C ATOM 1489 CG MET A 93 107.132 10.926 6.826 1.00 0.00 C ATOM 1490 SD MET A 93 108.651 11.913 6.817 1.00 0.00 S ATOM 1491 CE MET A 93 107.901 13.478 6.301 1.00 0.00 C ATOM 0 H MET A 93 104.050 11.092 9.864 1.00 0.00 H new ATOM 0 HA MET A 93 104.550 10.272 7.046 1.00 0.00 H new ATOM 0 HB2 MET A 93 105.836 12.478 7.589 1.00 0.00 H new ATOM 0 HB3 MET A 93 106.679 11.580 8.836 1.00 0.00 H new ATOM 0 HG2 MET A 93 107.364 9.884 7.044 1.00 0.00 H new ATOM 0 HG3 MET A 93 106.665 10.949 5.841 1.00 0.00 H new ATOM 0 HE1 MET A 93 108.581 14.003 5.630 1.00 0.00 H new ATOM 0 HE2 MET A 93 106.963 13.279 5.784 1.00 0.00 H new ATOM 0 HE3 MET A 93 107.708 14.095 7.178 1.00 0.00 H new ATOM 1501 N ASP A 94 105.340 8.142 7.988 1.00 0.00 N ATOM 1502 CA ASP A 94 105.748 6.833 8.584 1.00 0.00 C ATOM 1503 C ASP A 94 107.212 6.532 8.248 1.00 0.00 C ATOM 1504 O ASP A 94 107.634 6.663 7.113 1.00 0.00 O ATOM 1505 CB ASP A 94 104.823 5.797 7.941 1.00 0.00 C ATOM 1506 CG ASP A 94 105.000 4.445 8.636 1.00 0.00 C ATOM 1507 OD1 ASP A 94 105.064 4.430 9.855 1.00 0.00 O ATOM 1508 OD2 ASP A 94 105.068 3.447 7.938 1.00 0.00 O ATOM 0 H ASP A 94 105.041 8.097 7.014 1.00 0.00 H new ATOM 0 HA ASP A 94 105.666 6.831 9.671 1.00 0.00 H new ATOM 0 HB2 ASP A 94 103.786 6.124 8.019 1.00 0.00 H new ATOM 0 HB3 ASP A 94 105.049 5.703 6.879 1.00 0.00 H new ATOM 1513 N CYS A 95 107.986 6.131 9.228 1.00 0.00 N ATOM 1514 CA CYS A 95 109.426 5.820 8.978 1.00 0.00 C ATOM 1515 C CYS A 95 109.975 4.923 10.092 1.00 0.00 C ATOM 1516 O CYS A 95 110.640 3.937 9.832 1.00 0.00 O ATOM 1517 CB CYS A 95 110.131 7.177 8.986 1.00 0.00 C ATOM 1518 SG CYS A 95 111.715 7.038 8.122 1.00 0.00 S ATOM 0 H CYS A 95 107.680 6.006 10.193 1.00 0.00 H new ATOM 0 HA CYS A 95 109.577 5.288 8.039 1.00 0.00 H new ATOM 0 HB2 CYS A 95 109.505 7.927 8.502 1.00 0.00 H new ATOM 0 HB3 CYS A 95 110.292 7.509 10.012 1.00 0.00 H new ATOM 0 HG CYS A 95 112.314 8.192 8.126 1.00 0.00 H new ATOM 1524 N ASP A 96 109.699 5.262 11.329 1.00 0.00 N ATOM 1525 CA ASP A 96 110.208 4.438 12.474 1.00 0.00 C ATOM 1526 C ASP A 96 109.564 3.047 12.459 1.00 0.00 C ATOM 1527 O ASP A 96 110.207 2.055 12.750 1.00 0.00 O ATOM 1528 CB ASP A 96 109.803 5.199 13.741 1.00 0.00 C ATOM 1529 CG ASP A 96 110.550 6.535 13.803 1.00 0.00 C ATOM 1530 OD1 ASP A 96 111.732 6.547 13.500 1.00 0.00 O ATOM 1531 OD2 ASP A 96 109.925 7.523 14.152 1.00 0.00 O ATOM 0 H ASP A 96 109.143 6.074 11.596 1.00 0.00 H new ATOM 0 HA ASP A 96 111.287 4.292 12.418 1.00 0.00 H new ATOM 0 HB2 ASP A 96 108.727 5.373 13.744 1.00 0.00 H new ATOM 0 HB3 ASP A 96 110.032 4.602 14.624 1.00 0.00 H new ATOM 1536 N GLU A 97 108.300 2.973 12.121 1.00 0.00 N ATOM 1537 CA GLU A 97 107.597 1.652 12.087 1.00 0.00 C ATOM 1538 C GLU A 97 107.109 1.350 10.667 1.00 0.00 C ATOM 1539 O GLU A 97 106.698 2.239 9.944 1.00 0.00 O ATOM 1540 CB GLU A 97 106.411 1.808 13.041 1.00 0.00 C ATOM 1541 CG GLU A 97 106.923 1.987 14.474 1.00 0.00 C ATOM 1542 CD GLU A 97 105.739 2.051 15.446 1.00 0.00 C ATOM 1543 OE1 GLU A 97 105.883 1.558 16.553 1.00 0.00 O ATOM 1544 OE2 GLU A 97 104.713 2.597 15.073 1.00 0.00 O ATOM 0 H GLU A 97 107.722 3.774 11.866 1.00 0.00 H new ATOM 0 HA GLU A 97 108.249 0.829 12.381 1.00 0.00 H new ATOM 0 HB2 GLU A 97 105.808 2.668 12.750 1.00 0.00 H new ATOM 0 HB3 GLU A 97 105.766 0.931 12.982 1.00 0.00 H new ATOM 0 HG2 GLU A 97 107.580 1.159 14.741 1.00 0.00 H new ATOM 0 HG3 GLU A 97 107.515 2.900 14.547 1.00 0.00 H new ATOM 1551 N GLU A 98 107.151 0.101 10.269 1.00 0.00 N ATOM 1552 CA GLU A 98 106.699 -0.269 8.889 1.00 0.00 C ATOM 1553 C GLU A 98 105.183 -0.097 8.763 1.00 0.00 C ATOM 1554 O GLU A 98 104.689 0.406 7.770 1.00 0.00 O ATOM 1555 CB GLU A 98 107.088 -1.741 8.714 1.00 0.00 C ATOM 1556 CG GLU A 98 106.880 -2.158 7.255 1.00 0.00 C ATOM 1557 CD GLU A 98 107.942 -1.501 6.368 1.00 0.00 C ATOM 1558 OE1 GLU A 98 107.609 -1.136 5.253 1.00 0.00 O ATOM 1559 OE2 GLU A 98 109.072 -1.378 6.815 1.00 0.00 O ATOM 0 H GLU A 98 107.479 -0.678 10.840 1.00 0.00 H new ATOM 0 HA GLU A 98 107.156 0.363 8.128 1.00 0.00 H new ATOM 0 HB2 GLU A 98 108.129 -1.889 9.000 1.00 0.00 H new ATOM 0 HB3 GLU A 98 106.485 -2.367 9.371 1.00 0.00 H new ATOM 0 HG2 GLU A 98 106.940 -3.243 7.166 1.00 0.00 H new ATOM 0 HG3 GLU A 98 105.884 -1.865 6.922 1.00 0.00 H new ATOM 1566 N PHE A 99 104.443 -0.512 9.764 1.00 0.00 N ATOM 1567 CA PHE A 99 102.954 -0.382 9.714 1.00 0.00 C ATOM 1568 C PHE A 99 102.470 0.594 10.789 1.00 0.00 C ATOM 1569 O PHE A 99 102.847 0.495 11.942 1.00 0.00 O ATOM 1570 CB PHE A 99 102.426 -1.789 9.991 1.00 0.00 C ATOM 1571 CG PHE A 99 102.821 -2.799 8.939 1.00 0.00 C ATOM 1572 CD1 PHE A 99 102.061 -2.916 7.750 1.00 0.00 C ATOM 1573 CD2 PHE A 99 103.952 -3.626 9.142 1.00 0.00 C ATOM 1574 CE1 PHE A 99 102.432 -3.862 6.764 1.00 0.00 C ATOM 1575 CE2 PHE A 99 104.322 -4.573 8.155 1.00 0.00 C ATOM 1576 CZ PHE A 99 103.563 -4.691 6.967 1.00 0.00 C ATOM 0 H PHE A 99 104.809 -0.937 10.616 1.00 0.00 H new ATOM 0 HA PHE A 99 102.605 0.004 8.756 1.00 0.00 H new ATOM 0 HB2 PHE A 99 102.796 -2.123 10.961 1.00 0.00 H new ATOM 0 HB3 PHE A 99 101.339 -1.754 10.059 1.00 0.00 H new ATOM 0 HD1 PHE A 99 101.199 -2.284 7.595 1.00 0.00 H new ATOM 0 HD2 PHE A 99 104.532 -3.535 10.048 1.00 0.00 H new ATOM 0 HE1 PHE A 99 101.853 -3.952 5.857 1.00 0.00 H new ATOM 0 HE2 PHE A 99 105.184 -5.205 8.310 1.00 0.00 H new ATOM 0 HZ PHE A 99 103.846 -5.413 6.215 1.00 0.00 H new ATOM 1586 N ASP A 100 101.636 1.536 10.416 1.00 0.00 N ATOM 1587 CA ASP A 100 101.105 2.517 11.417 1.00 0.00 C ATOM 1588 C ASP A 100 100.156 1.816 12.394 1.00 0.00 C ATOM 1589 O ASP A 100 100.119 2.135 13.569 1.00 0.00 O ATOM 1590 CB ASP A 100 100.348 3.568 10.597 1.00 0.00 C ATOM 1591 CG ASP A 100 101.342 4.400 9.783 1.00 0.00 C ATOM 1592 OD1 ASP A 100 102.241 3.814 9.202 1.00 0.00 O ATOM 1593 OD2 ASP A 100 101.186 5.609 9.754 1.00 0.00 O ATOM 0 H ASP A 100 101.300 1.668 9.462 1.00 0.00 H new ATOM 0 HA ASP A 100 101.902 2.965 12.010 1.00 0.00 H new ATOM 0 HB2 ASP A 100 99.636 3.080 9.931 1.00 0.00 H new ATOM 0 HB3 ASP A 100 99.773 4.215 11.259 1.00 0.00 H new ATOM 1598 N PHE A 101 99.392 0.865 11.912 1.00 0.00 N ATOM 1599 CA PHE A 101 98.409 0.159 12.799 1.00 0.00 C ATOM 1600 C PHE A 101 99.144 -0.679 13.851 1.00 0.00 C ATOM 1601 O PHE A 101 98.750 -0.723 15.002 1.00 0.00 O ATOM 1602 CB PHE A 101 97.599 -0.748 11.869 1.00 0.00 C ATOM 1603 CG PHE A 101 96.712 0.011 10.910 1.00 0.00 C ATOM 1604 CD1 PHE A 101 97.177 0.321 9.609 1.00 0.00 C ATOM 1605 CD2 PHE A 101 95.414 0.411 11.312 1.00 0.00 C ATOM 1606 CE1 PHE A 101 96.345 1.032 8.710 1.00 0.00 C ATOM 1607 CE2 PHE A 101 94.582 1.122 10.413 1.00 0.00 C ATOM 1608 CZ PHE A 101 95.048 1.432 9.112 1.00 0.00 C ATOM 0 H PHE A 101 99.405 0.546 10.943 1.00 0.00 H new ATOM 0 HA PHE A 101 97.773 0.862 13.337 1.00 0.00 H new ATOM 0 HB2 PHE A 101 98.284 -1.375 11.299 1.00 0.00 H new ATOM 0 HB3 PHE A 101 96.982 -1.415 12.471 1.00 0.00 H new ATOM 0 HD1 PHE A 101 98.166 0.015 9.302 1.00 0.00 H new ATOM 0 HD2 PHE A 101 95.059 0.174 12.304 1.00 0.00 H new ATOM 0 HE1 PHE A 101 96.700 1.269 7.718 1.00 0.00 H new ATOM 0 HE2 PHE A 101 93.593 1.428 10.719 1.00 0.00 H new ATOM 0 HZ PHE A 101 94.413 1.974 8.426 1.00 0.00 H new ATOM 1618 N ALA A 102 100.205 -1.342 13.461 1.00 0.00 N ATOM 1619 CA ALA A 102 100.952 -2.208 14.423 1.00 0.00 C ATOM 1620 C ALA A 102 102.234 -1.508 14.883 1.00 0.00 C ATOM 1621 O ALA A 102 102.902 -0.849 14.108 1.00 0.00 O ATOM 1622 CB ALA A 102 101.286 -3.476 13.637 1.00 0.00 C ATOM 0 H ALA A 102 100.586 -1.320 12.515 1.00 0.00 H new ATOM 0 HA ALA A 102 100.371 -2.425 15.319 1.00 0.00 H new ATOM 0 HB1 ALA A 102 101.837 -4.166 14.276 1.00 0.00 H new ATOM 0 HB2 ALA A 102 100.363 -3.950 13.302 1.00 0.00 H new ATOM 0 HB3 ALA A 102 101.896 -3.217 12.771 1.00 0.00 H new ATOM 1628 N ALA A 103 102.579 -1.651 16.140 1.00 0.00 N ATOM 1629 CA ALA A 103 103.822 -1.009 16.664 1.00 0.00 C ATOM 1630 C ALA A 103 104.373 -1.812 17.846 1.00 0.00 C ATOM 1631 O ALA A 103 103.683 -2.043 18.822 1.00 0.00 O ATOM 1632 CB ALA A 103 103.388 0.385 17.117 1.00 0.00 C ATOM 0 H ALA A 103 102.050 -2.188 16.827 1.00 0.00 H new ATOM 0 HA ALA A 103 104.612 -0.965 15.914 1.00 0.00 H new ATOM 0 HB1 ALA A 103 104.248 0.922 17.516 1.00 0.00 H new ATOM 0 HB2 ALA A 103 102.980 0.933 16.268 1.00 0.00 H new ATOM 0 HB3 ALA A 103 102.625 0.295 17.891 1.00 0.00 H new ATOM 1638 N ASN A 104 105.612 -2.238 17.761 1.00 0.00 N ATOM 1639 CA ASN A 104 106.225 -3.022 18.883 1.00 0.00 C ATOM 1640 C ASN A 104 106.346 -2.148 20.136 1.00 0.00 C ATOM 1641 O ASN A 104 106.156 -2.612 21.245 1.00 0.00 O ATOM 1642 CB ASN A 104 107.612 -3.435 18.382 1.00 0.00 C ATOM 1643 CG ASN A 104 108.222 -4.454 19.346 1.00 0.00 C ATOM 1644 OD1 ASN A 104 109.103 -4.128 20.116 1.00 0.00 O ATOM 1645 ND2 ASN A 104 107.786 -5.685 19.336 1.00 0.00 N ATOM 0 H ASN A 104 106.226 -2.077 16.963 1.00 0.00 H new ATOM 0 HA ASN A 104 105.620 -3.887 19.154 1.00 0.00 H new ATOM 0 HB2 ASN A 104 107.536 -3.864 17.383 1.00 0.00 H new ATOM 0 HB3 ASN A 104 108.258 -2.560 18.305 1.00 0.00 H new ATOM 0 HD21 ASN A 104 108.185 -6.373 19.975 1.00 0.00 H new ATOM 0 HD22 ASN A 104 107.046 -5.959 18.689 1.00 0.00 H new ATOM 1652 N LEU A 105 106.663 -0.888 19.960 1.00 0.00 N ATOM 1653 CA LEU A 105 106.786 0.035 21.129 1.00 0.00 C ATOM 1654 C LEU A 105 105.602 1.006 21.159 1.00 0.00 C ATOM 1655 O LEU A 105 105.262 1.611 20.160 1.00 0.00 O ATOM 1656 CB LEU A 105 108.096 0.790 20.899 1.00 0.00 C ATOM 1657 CG LEU A 105 108.437 1.618 22.140 1.00 0.00 C ATOM 1658 CD1 LEU A 105 108.907 0.688 23.260 1.00 0.00 C ATOM 1659 CD2 LEU A 105 109.551 2.610 21.800 1.00 0.00 C ATOM 0 H LEU A 105 106.842 -0.459 19.052 1.00 0.00 H new ATOM 0 HA LEU A 105 106.785 -0.497 22.081 1.00 0.00 H new ATOM 0 HB2 LEU A 105 108.901 0.086 20.687 1.00 0.00 H new ATOM 0 HB3 LEU A 105 108.004 1.441 20.029 1.00 0.00 H new ATOM 0 HG LEU A 105 107.552 2.163 22.468 1.00 0.00 H new ATOM 0 HD11 LEU A 105 109.150 1.277 24.144 1.00 0.00 H new ATOM 0 HD12 LEU A 105 108.114 -0.020 23.502 1.00 0.00 H new ATOM 0 HD13 LEU A 105 109.792 0.143 22.933 1.00 0.00 H new ATOM 0 HD21 LEU A 105 109.795 3.200 22.683 1.00 0.00 H new ATOM 0 HD22 LEU A 105 110.436 2.065 21.472 1.00 0.00 H new ATOM 0 HD23 LEU A 105 109.217 3.273 21.002 1.00 0.00 H new ATOM 1671 N GLU A 106 104.973 1.154 22.301 1.00 0.00 N ATOM 1672 CA GLU A 106 103.812 2.089 22.409 1.00 0.00 C ATOM 1673 C GLU A 106 104.276 3.447 22.944 1.00 0.00 C ATOM 1674 O GLU A 106 105.052 3.521 23.880 1.00 0.00 O ATOM 1675 CB GLU A 106 102.853 1.422 23.398 1.00 0.00 C ATOM 1676 CG GLU A 106 102.293 0.137 22.784 1.00 0.00 C ATOM 1677 CD GLU A 106 101.276 -0.493 23.740 1.00 0.00 C ATOM 1678 OE1 GLU A 106 101.292 -1.705 23.877 1.00 0.00 O ATOM 1679 OE2 GLU A 106 100.495 0.248 24.317 1.00 0.00 O ATOM 0 H GLU A 106 105.215 0.666 23.163 1.00 0.00 H new ATOM 0 HA GLU A 106 103.338 2.272 21.444 1.00 0.00 H new ATOM 0 HB2 GLU A 106 103.374 1.195 24.328 1.00 0.00 H new ATOM 0 HB3 GLU A 106 102.039 2.103 23.646 1.00 0.00 H new ATOM 0 HG2 GLU A 106 101.819 0.356 21.827 1.00 0.00 H new ATOM 0 HG3 GLU A 106 103.103 -0.565 22.585 1.00 0.00 H new ATOM 1686 N LYS A 107 103.805 4.519 22.353 1.00 0.00 N ATOM 1687 CA LYS A 107 104.214 5.882 22.814 1.00 0.00 C ATOM 1688 C LYS A 107 103.087 6.536 23.620 1.00 0.00 C ATOM 1689 O LYS A 107 102.946 7.744 23.631 1.00 0.00 O ATOM 1690 CB LYS A 107 104.484 6.671 21.530 1.00 0.00 C ATOM 1691 CG LYS A 107 105.697 6.082 20.809 1.00 0.00 C ATOM 1692 CD LYS A 107 106.031 6.938 19.586 1.00 0.00 C ATOM 1693 CE LYS A 107 107.167 6.283 18.798 1.00 0.00 C ATOM 1694 NZ LYS A 107 107.811 7.399 18.051 1.00 0.00 N ATOM 0 H LYS A 107 103.153 4.508 21.569 1.00 0.00 H new ATOM 0 HA LYS A 107 105.087 5.849 23.465 1.00 0.00 H new ATOM 0 HB2 LYS A 107 103.610 6.636 20.880 1.00 0.00 H new ATOM 0 HB3 LYS A 107 104.663 7.720 21.767 1.00 0.00 H new ATOM 0 HG2 LYS A 107 106.552 6.045 21.484 1.00 0.00 H new ATOM 0 HG3 LYS A 107 105.488 5.057 20.502 1.00 0.00 H new ATOM 0 HD2 LYS A 107 105.150 7.046 18.953 1.00 0.00 H new ATOM 0 HD3 LYS A 107 106.323 7.940 19.899 1.00 0.00 H new ATOM 0 HE2 LYS A 107 107.877 5.792 19.463 1.00 0.00 H new ATOM 0 HE3 LYS A 107 106.787 5.520 18.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 108.601 7.028 17.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 107.113 7.843 17.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 108.169 8.106 18.724 1.00 0.00 H new ATOM 1708 N PHE A 108 102.282 5.741 24.298 1.00 0.00 N ATOM 1709 CA PHE A 108 101.136 6.291 25.107 1.00 0.00 C ATOM 1710 C PHE A 108 100.263 7.229 24.259 1.00 0.00 C ATOM 1711 O PHE A 108 100.498 8.422 24.198 1.00 0.00 O ATOM 1712 CB PHE A 108 101.783 7.056 26.268 1.00 0.00 C ATOM 1713 CG PHE A 108 102.588 6.177 27.195 1.00 0.00 C ATOM 1714 CD1 PHE A 108 103.992 6.074 27.033 1.00 0.00 C ATOM 1715 CD2 PHE A 108 101.939 5.455 28.227 1.00 0.00 C ATOM 1716 CE1 PHE A 108 104.746 5.249 27.902 1.00 0.00 C ATOM 1717 CE2 PHE A 108 102.695 4.631 29.097 1.00 0.00 C ATOM 1718 CZ PHE A 108 104.098 4.528 28.934 1.00 0.00 C ATOM 0 H PHE A 108 102.371 4.725 24.325 1.00 0.00 H new ATOM 0 HA PHE A 108 100.480 5.496 25.461 1.00 0.00 H new ATOM 0 HB2 PHE A 108 102.431 7.834 25.864 1.00 0.00 H new ATOM 0 HB3 PHE A 108 101.003 7.557 26.842 1.00 0.00 H new ATOM 0 HD1 PHE A 108 104.487 6.625 26.247 1.00 0.00 H new ATOM 0 HD2 PHE A 108 100.869 5.533 28.350 1.00 0.00 H new ATOM 0 HE1 PHE A 108 105.816 5.170 27.778 1.00 0.00 H new ATOM 0 HE2 PHE A 108 102.201 4.081 29.885 1.00 0.00 H new ATOM 0 HZ PHE A 108 104.674 3.899 29.597 1.00 0.00 H new ATOM 1728 N ASP A 109 99.260 6.691 23.608 1.00 0.00 N ATOM 1729 CA ASP A 109 98.361 7.536 22.764 1.00 0.00 C ATOM 1730 C ASP A 109 96.891 7.198 23.043 1.00 0.00 C ATOM 1731 O ASP A 109 96.050 7.302 22.170 1.00 0.00 O ATOM 1732 CB ASP A 109 98.728 7.184 21.321 1.00 0.00 C ATOM 1733 CG ASP A 109 98.045 8.165 20.364 1.00 0.00 C ATOM 1734 OD1 ASP A 109 97.516 7.711 19.363 1.00 0.00 O ATOM 1735 OD2 ASP A 109 98.064 9.351 20.647 1.00 0.00 O ATOM 0 H ASP A 109 99.025 5.699 23.626 1.00 0.00 H new ATOM 0 HA ASP A 109 98.484 8.599 22.970 1.00 0.00 H new ATOM 0 HB2 ASP A 109 99.809 7.225 21.190 1.00 0.00 H new ATOM 0 HB3 ASP A 109 98.418 6.164 21.095 1.00 0.00 H new ATOM 1740 N LYS A 110 96.582 6.797 24.253 1.00 0.00 N ATOM 1741 CA LYS A 110 95.167 6.455 24.600 1.00 0.00 C ATOM 1742 C LYS A 110 94.808 7.027 25.973 1.00 0.00 C ATOM 1743 O LYS A 110 95.237 6.521 26.995 1.00 0.00 O ATOM 1744 CB LYS A 110 95.124 4.926 24.628 1.00 0.00 C ATOM 1745 CG LYS A 110 95.342 4.380 23.214 1.00 0.00 C ATOM 1746 CD LYS A 110 95.078 2.872 23.200 1.00 0.00 C ATOM 1747 CE LYS A 110 96.207 2.146 23.936 1.00 0.00 C ATOM 1748 NZ LYS A 110 95.786 0.717 23.973 1.00 0.00 N ATOM 0 H LYS A 110 97.250 6.692 25.016 1.00 0.00 H new ATOM 0 HA LYS A 110 94.455 6.869 23.887 1.00 0.00 H new ATOM 0 HB2 LYS A 110 95.893 4.543 25.299 1.00 0.00 H new ATOM 0 HB3 LYS A 110 94.164 4.586 25.016 1.00 0.00 H new ATOM 0 HG2 LYS A 110 94.676 4.883 22.512 1.00 0.00 H new ATOM 0 HG3 LYS A 110 96.362 4.584 22.888 1.00 0.00 H new ATOM 0 HD2 LYS A 110 94.122 2.656 23.676 1.00 0.00 H new ATOM 0 HD3 LYS A 110 95.011 2.514 22.173 1.00 0.00 H new ATOM 0 HE2 LYS A 110 97.157 2.264 23.416 1.00 0.00 H new ATOM 0 HE3 LYS A 110 96.343 2.544 24.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 96.510 0.154 24.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 94.882 0.635 24.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 95.672 0.364 23.002 1.00 0.00 H new ATOM 1762 N LYS A 111 94.023 8.077 26.002 1.00 0.00 N ATOM 1763 CA LYS A 111 93.621 8.688 27.305 1.00 0.00 C ATOM 1764 C LYS A 111 92.149 9.113 27.256 1.00 0.00 C ATOM 1765 O LYS A 111 91.732 9.823 26.360 1.00 0.00 O ATOM 1766 CB LYS A 111 94.529 9.907 27.466 1.00 0.00 C ATOM 1767 CG LYS A 111 94.357 10.493 28.870 1.00 0.00 C ATOM 1768 CD LYS A 111 95.216 11.752 29.007 1.00 0.00 C ATOM 1769 CE LYS A 111 95.166 12.249 30.453 1.00 0.00 C ATOM 1770 NZ LYS A 111 95.901 13.544 30.440 1.00 0.00 N ATOM 0 H LYS A 111 93.643 8.538 25.175 1.00 0.00 H new ATOM 0 HA LYS A 111 93.722 7.993 28.139 1.00 0.00 H new ATOM 0 HB2 LYS A 111 95.569 9.623 27.304 1.00 0.00 H new ATOM 0 HB3 LYS A 111 94.284 10.658 26.715 1.00 0.00 H new ATOM 0 HG2 LYS A 111 93.309 10.734 29.049 1.00 0.00 H new ATOM 0 HG3 LYS A 111 94.648 9.758 29.620 1.00 0.00 H new ATOM 0 HD2 LYS A 111 96.245 11.536 28.721 1.00 0.00 H new ATOM 0 HD3 LYS A 111 94.854 12.527 28.332 1.00 0.00 H new ATOM 0 HE2 LYS A 111 94.138 12.382 30.789 1.00 0.00 H new ATOM 0 HE3 LYS A 111 95.634 11.536 31.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 95.910 13.948 31.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 96.878 13.385 30.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 95.429 14.205 29.790 1.00 0.00 H new ATOM 1784 N GLN A 112 91.366 8.683 28.216 1.00 0.00 N ATOM 1785 CA GLN A 112 89.923 9.070 28.249 1.00 0.00 C ATOM 1786 C GLN A 112 89.680 10.102 29.356 1.00 0.00 C ATOM 1787 O GLN A 112 89.836 9.812 30.527 1.00 0.00 O ATOM 1788 CB GLN A 112 89.173 7.770 28.548 1.00 0.00 C ATOM 1789 CG GLN A 112 87.668 7.999 28.393 1.00 0.00 C ATOM 1790 CD GLN A 112 86.927 6.676 28.601 1.00 0.00 C ATOM 1791 OE1 GLN A 112 86.743 5.918 27.671 1.00 0.00 O ATOM 1792 NE2 GLN A 112 86.493 6.365 29.792 1.00 0.00 N ATOM 0 H GLN A 112 91.667 8.078 28.980 1.00 0.00 H new ATOM 0 HA GLN A 112 89.592 9.524 27.315 1.00 0.00 H new ATOM 0 HB2 GLN A 112 89.503 6.983 27.870 1.00 0.00 H new ATOM 0 HB3 GLN A 112 89.398 7.433 29.560 1.00 0.00 H new ATOM 0 HG2 GLN A 112 87.325 8.738 29.117 1.00 0.00 H new ATOM 0 HG3 GLN A 112 87.450 8.398 27.403 1.00 0.00 H new ATOM 0 HE21 GLN A 112 86.648 7.002 30.574 1.00 0.00 H new ATOM 0 HE22 GLN A 112 85.999 5.485 29.941 1.00 0.00 H new ATOM 1801 N VAL A 113 89.301 11.301 28.987 1.00 0.00 N ATOM 1802 CA VAL A 113 89.064 12.373 30.008 1.00 0.00 C ATOM 1803 C VAL A 113 87.697 13.025 29.768 1.00 0.00 C ATOM 1804 O VAL A 113 87.304 13.261 28.641 1.00 0.00 O ATOM 1805 CB VAL A 113 90.200 13.389 29.803 1.00 0.00 C ATOM 1806 CG1 VAL A 113 90.075 14.522 30.827 1.00 0.00 C ATOM 1807 CG2 VAL A 113 91.555 12.698 29.992 1.00 0.00 C ATOM 0 H VAL A 113 89.145 11.586 28.020 1.00 0.00 H new ATOM 0 HA VAL A 113 89.058 11.984 31.026 1.00 0.00 H new ATOM 0 HB VAL A 113 90.130 13.795 28.794 1.00 0.00 H new ATOM 0 HG11 VAL A 113 90.882 15.239 30.677 1.00 0.00 H new ATOM 0 HG12 VAL A 113 89.116 15.024 30.699 1.00 0.00 H new ATOM 0 HG13 VAL A 113 90.138 14.111 31.834 1.00 0.00 H new ATOM 0 HG21 VAL A 113 92.356 13.422 29.846 1.00 0.00 H new ATOM 0 HG22 VAL A 113 91.617 12.287 31.000 1.00 0.00 H new ATOM 0 HG23 VAL A 113 91.657 11.892 29.265 1.00 0.00 H new ATOM 1817 N PHE A 114 86.976 13.317 30.825 1.00 0.00 N ATOM 1818 CA PHE A 114 85.643 13.980 30.677 1.00 0.00 C ATOM 1819 C PHE A 114 85.681 15.382 31.292 1.00 0.00 C ATOM 1820 O PHE A 114 86.447 15.647 32.201 1.00 0.00 O ATOM 1821 CB PHE A 114 84.668 13.087 31.443 1.00 0.00 C ATOM 1822 CG PHE A 114 84.556 11.690 30.879 1.00 0.00 C ATOM 1823 CD1 PHE A 114 85.223 10.615 31.516 1.00 0.00 C ATOM 1824 CD2 PHE A 114 83.787 11.455 29.713 1.00 0.00 C ATOM 1825 CE1 PHE A 114 85.118 9.305 30.987 1.00 0.00 C ATOM 1826 CE2 PHE A 114 83.683 10.146 29.185 1.00 0.00 C ATOM 1827 CZ PHE A 114 84.349 9.070 29.822 1.00 0.00 C ATOM 0 H PHE A 114 87.256 13.123 31.787 1.00 0.00 H new ATOM 0 HA PHE A 114 85.354 14.097 29.633 1.00 0.00 H new ATOM 0 HB2 PHE A 114 84.986 13.025 32.484 1.00 0.00 H new ATOM 0 HB3 PHE A 114 83.682 13.552 31.438 1.00 0.00 H new ATOM 0 HD1 PHE A 114 85.811 10.794 32.404 1.00 0.00 H new ATOM 0 HD2 PHE A 114 83.280 12.275 29.227 1.00 0.00 H new ATOM 0 HE1 PHE A 114 85.625 8.485 31.473 1.00 0.00 H new ATOM 0 HE2 PHE A 114 83.096 9.967 28.296 1.00 0.00 H new ATOM 0 HZ PHE A 114 84.270 8.071 29.419 1.00 0.00 H new ATOM 1837 N ALA A 115 84.860 16.278 30.801 1.00 0.00 N ATOM 1838 CA ALA A 115 84.839 17.668 31.350 1.00 0.00 C ATOM 1839 C ALA A 115 83.759 17.795 32.428 1.00 0.00 C ATOM 1840 O ALA A 115 82.617 17.425 32.218 1.00 0.00 O ATOM 1841 CB ALA A 115 84.512 18.565 30.154 1.00 0.00 C ATOM 0 H ALA A 115 84.202 16.105 30.041 1.00 0.00 H new ATOM 0 HA ALA A 115 85.786 17.941 31.816 1.00 0.00 H new ATOM 0 HB1 ALA A 115 84.479 19.605 30.478 1.00 0.00 H new ATOM 0 HB2 ALA A 115 85.280 18.447 29.390 1.00 0.00 H new ATOM 0 HB3 ALA A 115 83.544 18.282 29.741 1.00 0.00 H new ATOM 1847 N GLU A 116 84.113 18.315 33.579 1.00 0.00 N ATOM 1848 CA GLU A 116 83.117 18.470 34.682 1.00 0.00 C ATOM 1849 C GLU A 116 82.856 19.955 34.953 1.00 0.00 C ATOM 1850 O GLU A 116 83.778 20.740 35.076 1.00 0.00 O ATOM 1851 CB GLU A 116 83.770 17.807 35.897 1.00 0.00 C ATOM 1852 CG GLU A 116 82.748 17.693 37.032 1.00 0.00 C ATOM 1853 CD GLU A 116 81.702 16.627 36.686 1.00 0.00 C ATOM 1854 OE1 GLU A 116 80.548 16.829 37.026 1.00 0.00 O ATOM 1855 OE2 GLU A 116 82.072 15.626 36.094 1.00 0.00 O ATOM 0 H GLU A 116 85.054 18.640 33.801 1.00 0.00 H new ATOM 0 HA GLU A 116 82.155 18.019 34.439 1.00 0.00 H new ATOM 0 HB2 GLU A 116 84.142 16.818 35.628 1.00 0.00 H new ATOM 0 HB3 GLU A 116 84.629 18.392 36.225 1.00 0.00 H new ATOM 0 HG2 GLU A 116 83.252 17.432 37.962 1.00 0.00 H new ATOM 0 HG3 GLU A 116 82.261 18.655 37.193 1.00 0.00 H new ATOM 1862 N PHE A 117 81.605 20.340 35.046 1.00 0.00 N ATOM 1863 CA PHE A 117 81.268 21.775 35.299 1.00 0.00 C ATOM 1864 C PHE A 117 80.311 21.897 36.491 1.00 0.00 C ATOM 1865 O PHE A 117 79.484 22.789 36.541 1.00 0.00 O ATOM 1866 CB PHE A 117 80.590 22.252 34.016 1.00 0.00 C ATOM 1867 CG PHE A 117 81.506 22.253 32.814 1.00 0.00 C ATOM 1868 CD1 PHE A 117 82.340 23.369 32.560 1.00 0.00 C ATOM 1869 CD2 PHE A 117 81.530 21.137 31.943 1.00 0.00 C ATOM 1870 CE1 PHE A 117 83.198 23.369 31.435 1.00 0.00 C ATOM 1871 CE2 PHE A 117 82.389 21.137 30.817 1.00 0.00 C ATOM 1872 CZ PHE A 117 83.223 22.253 30.563 1.00 0.00 C ATOM 0 H PHE A 117 80.801 19.719 34.957 1.00 0.00 H new ATOM 0 HA PHE A 117 82.149 22.369 35.541 1.00 0.00 H new ATOM 0 HB2 PHE A 117 79.732 21.612 33.808 1.00 0.00 H new ATOM 0 HB3 PHE A 117 80.206 23.260 34.171 1.00 0.00 H new ATOM 0 HD1 PHE A 117 82.321 24.220 33.225 1.00 0.00 H new ATOM 0 HD2 PHE A 117 80.894 20.286 32.137 1.00 0.00 H new ATOM 0 HE1 PHE A 117 83.834 24.220 31.241 1.00 0.00 H new ATOM 0 HE2 PHE A 117 82.408 20.286 30.152 1.00 0.00 H new ATOM 0 HZ PHE A 117 83.878 22.253 29.704 1.00 0.00 H new ATOM 1882 N ARG A 118 80.421 21.007 37.449 1.00 0.00 N ATOM 1883 CA ARG A 118 79.511 21.054 38.642 1.00 0.00 C ATOM 1884 C ARG A 118 79.741 22.344 39.439 1.00 0.00 C ATOM 1885 O ARG A 118 78.811 22.935 39.957 1.00 0.00 O ATOM 1886 CB ARG A 118 79.881 19.831 39.486 1.00 0.00 C ATOM 1887 CG ARG A 118 78.862 19.657 40.615 1.00 0.00 C ATOM 1888 CD ARG A 118 79.268 18.470 41.494 1.00 0.00 C ATOM 1889 NE ARG A 118 78.153 18.306 42.483 1.00 0.00 N ATOM 1890 CZ ARG A 118 78.004 17.192 43.173 1.00 0.00 C ATOM 1891 NH1 ARG A 118 78.828 16.178 43.033 1.00 0.00 N ATOM 1892 NH2 ARG A 118 77.016 17.095 44.019 1.00 0.00 N ATOM 0 H ARG A 118 81.103 20.248 37.458 1.00 0.00 H new ATOM 0 HA ARG A 118 78.461 21.042 38.351 1.00 0.00 H new ATOM 0 HB2 ARG A 118 79.902 18.938 38.861 1.00 0.00 H new ATOM 0 HB3 ARG A 118 80.881 19.953 39.901 1.00 0.00 H new ATOM 0 HG2 ARG A 118 78.810 20.566 41.215 1.00 0.00 H new ATOM 0 HG3 ARG A 118 77.868 19.492 40.199 1.00 0.00 H new ATOM 0 HD2 ARG A 118 79.400 17.567 40.898 1.00 0.00 H new ATOM 0 HD3 ARG A 118 80.215 18.661 41.998 1.00 0.00 H new ATOM 0 HE ARG A 118 77.495 19.073 42.625 1.00 0.00 H new ATOM 0 HH11 ARG A 118 79.607 16.241 42.377 1.00 0.00 H new ATOM 0 HH12 ARG A 118 78.689 15.328 43.580 1.00 0.00 H new ATOM 0 HH21 ARG A 118 76.370 17.875 44.140 1.00 0.00 H new ATOM 0 HH22 ARG A 118 76.889 16.239 44.559 1.00 0.00 H new ATOM 1906 N GLU A 119 80.974 22.779 39.537 1.00 0.00 N ATOM 1907 CA GLU A 119 81.281 24.028 40.301 1.00 0.00 C ATOM 1908 C GLU A 119 81.649 25.160 39.338 1.00 0.00 C ATOM 1909 O GLU A 119 82.141 24.923 38.251 1.00 0.00 O ATOM 1910 CB GLU A 119 82.476 23.669 41.188 1.00 0.00 C ATOM 1911 CG GLU A 119 82.048 22.632 42.232 1.00 0.00 C ATOM 1912 CD GLU A 119 83.213 22.345 43.185 1.00 0.00 C ATOM 1913 OE1 GLU A 119 82.952 22.144 44.360 1.00 0.00 O ATOM 1914 OE2 GLU A 119 84.344 22.323 42.725 1.00 0.00 O ATOM 0 H GLU A 119 81.784 22.321 39.119 1.00 0.00 H new ATOM 0 HA GLU A 119 80.429 24.373 40.886 1.00 0.00 H new ATOM 0 HB2 GLU A 119 83.288 23.273 40.579 1.00 0.00 H new ATOM 0 HB3 GLU A 119 82.856 24.563 41.683 1.00 0.00 H new ATOM 0 HG2 GLU A 119 81.189 23.000 42.793 1.00 0.00 H new ATOM 0 HG3 GLU A 119 81.735 21.712 41.738 1.00 0.00 H new ATOM 1921 N LYS A 120 81.411 26.387 39.735 1.00 0.00 N ATOM 1922 CA LYS A 120 81.744 27.547 38.852 1.00 0.00 C ATOM 1923 C LYS A 120 83.112 28.122 39.229 1.00 0.00 C ATOM 1924 O LYS A 120 83.490 28.135 40.386 1.00 0.00 O ATOM 1925 CB LYS A 120 80.640 28.575 39.109 1.00 0.00 C ATOM 1926 CG LYS A 120 79.306 28.036 38.590 1.00 0.00 C ATOM 1927 CD LYS A 120 78.227 29.111 38.742 1.00 0.00 C ATOM 1928 CE LYS A 120 76.870 28.534 38.336 1.00 0.00 C ATOM 1929 NZ LYS A 120 76.374 27.828 39.549 1.00 0.00 N ATOM 0 H LYS A 120 80.999 26.635 40.635 1.00 0.00 H new ATOM 0 HA LYS A 120 81.797 27.263 37.801 1.00 0.00 H new ATOM 0 HB2 LYS A 120 80.568 28.787 40.176 1.00 0.00 H new ATOM 0 HB3 LYS A 120 80.882 29.515 38.613 1.00 0.00 H new ATOM 0 HG2 LYS A 120 79.401 27.747 37.543 1.00 0.00 H new ATOM 0 HG3 LYS A 120 79.023 27.141 39.144 1.00 0.00 H new ATOM 0 HD2 LYS A 120 78.191 29.462 39.773 1.00 0.00 H new ATOM 0 HD3 LYS A 120 78.468 29.973 38.120 1.00 0.00 H new ATOM 0 HE2 LYS A 120 76.182 29.322 38.029 1.00 0.00 H new ATOM 0 HE3 LYS A 120 76.968 27.850 37.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 75.918 26.936 39.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 77.173 27.625 40.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 75.684 28.429 40.043 1.00 0.00 H new ATOM 1943 N ASP A 121 83.853 28.598 38.257 1.00 0.00 N ATOM 1944 CA ASP A 121 85.201 29.176 38.545 1.00 0.00 C ATOM 1945 C ASP A 121 85.639 30.094 37.399 1.00 0.00 C ATOM 1946 O ASP A 121 84.802 30.415 36.571 1.00 0.00 O ATOM 1947 CB ASP A 121 86.134 27.970 38.655 1.00 0.00 C ATOM 1948 CG ASP A 121 87.498 28.423 39.182 1.00 0.00 C ATOM 1949 OD1 ASP A 121 88.380 28.649 38.370 1.00 0.00 O ATOM 1950 OD2 ASP A 121 87.636 28.537 40.388 1.00 0.00 O ATOM 1951 OXT ASP A 121 86.802 30.458 37.370 1.00 0.00 O ATOM 0 H ASP A 121 83.580 28.610 37.274 1.00 0.00 H new ATOM 0 HA ASP A 121 85.207 29.779 39.453 1.00 0.00 H new ATOM 0 HB2 ASP A 121 85.704 27.224 39.324 1.00 0.00 H new ATOM 0 HB3 ASP A 121 86.249 27.496 37.680 1.00 0.00 H new TER 1956 ASP A 121