USER MOD reduce.3.24.130724 H: found=0, std=0, add=1126, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1124 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: B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: B 21 GLN :FLIP amide:sc= -0.418 F(o=-4.1!,f=-0.42) USER MOD Set 2.1: B 17 HIS :FLIP no HD1:sc= -4.48! C(o=-10!,f=-5.2!) USER MOD Set 2.2: B 58 THR OG1 : rot 153:sc= -0.725 USER MOD Set 3.1: A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 21 GLN :FLIP amide:sc= -0.398 F(o=-3.9!,f=-0.4) USER MOD Set 4.1: A 17 HIS :FLIP no HD1:sc= -4.54! C(o=-10!,f=-5.1!) USER MOD Set 4.2: A 58 THR OG1 : rot 156:sc= -0.575 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -2.53 K(o=-2.5,f=-3.3!) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.8 USER MOD Single : A 7 SER OG : rot 120:sc= -0.826 USER MOD Single : A 8 SER OG : rot -35:sc= -0.88! USER MOD Single : A 10 GLN : amide:sc= -1.44 K(o=-1.4,f=-3.8!) USER MOD Single : A 13 CYS SG : rot -138:sc= -1.07 USER MOD Single : A 25 GLN : amide:sc= -0.295 K(o=-0.3,f=-0.94) USER MOD Single : A 40 GLN :FLIP amide:sc= -3.66! C(o=-6.2!,f=-3.7!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 92:sc= 0.112 USER MOD Single : A 53 ASN : amide:sc= -0.0383 X(o=-0.038,f=0) USER MOD Single : A 59 HIS : no HD1:sc= -0.175 X(o=-0.17,f=-0.0066) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN :FLIP amide:sc= -0.217 F(o=-2,f=-0.22) USER MOD Single : A 67 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0168) USER MOD Single : A 70 LYS NZ :NH3+ 135:sc= -2.19 (180deg=-5.06!) USER MOD Single : B 3 SER OG : rot 180:sc= 0 USER MOD Single : B 4 ASN : amide:sc= -2.41 K(o=-2.4,f=-3.2!) USER MOD Single : B 5 THR OG1 : rot 180:sc= -0.692 USER MOD Single : B 7 SER OG : rot 120:sc= -0.843 USER MOD Single : B 8 SER OG : rot -26:sc= -1.4! USER MOD Single : B 10 GLN : amide:sc= -1.57 K(o=-1.6,f=-3.8!) USER MOD Single : B 13 CYS SG : rot -144:sc= -0.53 USER MOD Single : B 25 GLN : amide:sc= -0.347 K(o=-0.35,f=-1) USER MOD Single : B 40 GLN :FLIP amide:sc= -3.43 F(o=-5.9!,f=-3.4) USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 42 SER OG : rot 180:sc= 0 USER MOD Single : B 48 SER OG : rot 180:sc= 0 USER MOD Single : B 49 THR OG1 : rot 92:sc= 0.0194 USER MOD Single : B 53 ASN : amide:sc= -0.023 X(o=-0.023,f=0) USER MOD Single : B 59 HIS : no HD1:sc= -0.208 X(o=-0.21,f=-0.013) USER MOD Single : B 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 63 GLN :FLIP amide:sc= -0.291 F(o=-2.1,f=-0.29) USER MOD Single : B 67 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0216) USER MOD Single : B 70 LYS NZ :NH3+ 137:sc= -2.26 (180deg=-5.19!) USER MOD ----------------------------------------------------------------- ATOM 30 N SER A 3 -7.091 7.650 18.214 1.00 0.00 N ATOM 31 CA SER A 3 -5.749 8.167 18.004 1.00 0.00 C ATOM 32 C SER A 3 -5.015 7.278 16.998 1.00 0.00 C ATOM 33 O SER A 3 -4.506 7.811 16.002 1.00 0.00 O ATOM 34 CB SER A 3 -4.966 8.241 19.316 1.00 0.00 C ATOM 35 OG SER A 3 -5.030 9.538 19.903 1.00 0.00 O ATOM 0 HA SER A 3 -5.827 9.181 17.611 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.362 7.506 20.017 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.925 7.977 19.132 1.00 0.00 H new ATOM 0 HG SER A 3 -4.519 9.544 20.739 1.00 0.00 H new ATOM 41 N ASN A 4 -4.978 5.961 17.273 1.00 0.00 N ATOM 42 CA ASN A 4 -4.313 5.011 16.398 1.00 0.00 C ATOM 43 C ASN A 4 -5.150 4.818 15.132 1.00 0.00 C ATOM 44 O ASN A 4 -4.580 4.431 14.101 1.00 0.00 O ATOM 45 CB ASN A 4 -4.163 3.648 17.077 1.00 0.00 C ATOM 46 CG ASN A 4 -2.688 3.275 17.237 1.00 0.00 C ATOM 47 OD1 ASN A 4 -1.796 4.095 17.103 1.00 0.00 O ATOM 48 ND2 ASN A 4 -2.484 1.993 17.530 1.00 0.00 N ATOM 0 H ASN A 4 -5.405 5.542 18.099 1.00 0.00 H new ATOM 0 HA ASN A 4 -3.325 5.406 16.160 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -4.644 3.670 18.055 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -4.673 2.886 16.488 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -1.534 1.644 17.657 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -3.278 1.360 17.628 1.00 0.00 H new ATOM 55 N THR A 5 -6.464 5.088 15.231 1.00 0.00 N ATOM 56 CA THR A 5 -7.367 4.945 14.102 1.00 0.00 C ATOM 57 C THR A 5 -7.041 6.013 13.056 1.00 0.00 C ATOM 58 O THR A 5 -6.682 5.643 11.928 1.00 0.00 O ATOM 59 CB THR A 5 -8.807 5.018 14.616 1.00 0.00 C ATOM 60 OG1 THR A 5 -9.146 3.661 14.891 1.00 0.00 O ATOM 61 CG2 THR A 5 -9.797 5.435 13.526 1.00 0.00 C ATOM 0 H THR A 5 -6.914 5.407 16.089 1.00 0.00 H new ATOM 0 HA THR A 5 -7.246 3.979 13.611 1.00 0.00 H new ATOM 0 HB THR A 5 -8.861 5.723 15.445 1.00 0.00 H new ATOM 0 HG1 THR A 5 -10.064 3.616 15.231 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.803 5.471 13.943 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.526 6.420 13.146 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.768 4.711 12.712 1.00 0.00 H new ATOM 69 N VAL A 6 -7.169 7.295 13.443 1.00 0.00 N ATOM 70 CA VAL A 6 -6.889 8.402 12.545 1.00 0.00 C ATOM 71 C VAL A 6 -5.611 8.106 11.759 1.00 0.00 C ATOM 72 O VAL A 6 -5.600 8.336 10.541 1.00 0.00 O ATOM 73 CB VAL A 6 -6.816 9.710 13.334 1.00 0.00 C ATOM 74 CG1 VAL A 6 -8.217 10.221 13.680 1.00 0.00 C ATOM 75 CG2 VAL A 6 -5.967 9.543 14.595 1.00 0.00 C ATOM 0 H VAL A 6 -7.466 7.578 14.377 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.695 8.519 11.821 1.00 0.00 H new ATOM 0 HB VAL A 6 -6.334 10.456 12.702 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -8.136 11.152 14.241 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -8.777 10.398 12.762 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -8.737 9.477 14.284 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -5.932 10.488 15.137 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -6.408 8.776 15.231 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -4.956 9.247 14.316 1.00 0.00 H new ATOM 85 N SER A 7 -4.576 7.608 12.459 1.00 0.00 N ATOM 86 CA SER A 7 -3.306 7.284 11.832 1.00 0.00 C ATOM 87 C SER A 7 -3.551 6.343 10.650 1.00 0.00 C ATOM 88 O SER A 7 -3.218 6.720 9.517 1.00 0.00 O ATOM 89 CB SER A 7 -2.336 6.645 12.827 1.00 0.00 C ATOM 90 OG SER A 7 -1.062 6.389 12.242 1.00 0.00 O ATOM 0 H SER A 7 -4.606 7.425 13.462 1.00 0.00 H new ATOM 0 HA SER A 7 -2.849 8.208 11.478 1.00 0.00 H new ATOM 0 HB2 SER A 7 -2.214 7.303 13.688 1.00 0.00 H new ATOM 0 HB3 SER A 7 -2.759 5.711 13.197 1.00 0.00 H new ATOM 0 HG SER A 7 -0.372 6.883 12.732 1.00 0.00 H new ATOM 96 N SER A 8 -4.120 5.158 10.932 1.00 0.00 N ATOM 97 CA SER A 8 -4.405 4.176 9.900 1.00 0.00 C ATOM 98 C SER A 8 -5.123 4.861 8.735 1.00 0.00 C ATOM 99 O SER A 8 -4.863 4.487 7.582 1.00 0.00 O ATOM 100 CB SER A 8 -5.254 3.024 10.442 1.00 0.00 C ATOM 101 OG SER A 8 -4.620 1.762 10.257 1.00 0.00 O ATOM 0 H SER A 8 -4.388 4.867 11.872 1.00 0.00 H new ATOM 0 HA SER A 8 -3.462 3.753 9.554 1.00 0.00 H new ATOM 0 HB2 SER A 8 -5.444 3.182 11.504 1.00 0.00 H new ATOM 0 HB3 SER A 8 -6.222 3.020 9.941 1.00 0.00 H new ATOM 0 HG SER A 8 -4.120 1.768 9.414 1.00 0.00 H new ATOM 107 N PHE A 9 -5.996 5.833 9.053 1.00 0.00 N ATOM 108 CA PHE A 9 -6.742 6.560 8.040 1.00 0.00 C ATOM 109 C PHE A 9 -5.761 7.252 7.090 1.00 0.00 C ATOM 110 O PHE A 9 -5.804 6.963 5.885 1.00 0.00 O ATOM 111 CB PHE A 9 -7.657 7.591 8.726 1.00 0.00 C ATOM 112 CG PHE A 9 -9.124 7.501 8.330 1.00 0.00 C ATOM 113 CD1 PHE A 9 -9.913 6.404 8.748 1.00 0.00 C ATOM 114 CD2 PHE A 9 -9.707 8.514 7.532 1.00 0.00 C ATOM 115 CE1 PHE A 9 -11.271 6.322 8.375 1.00 0.00 C ATOM 116 CE2 PHE A 9 -11.065 8.431 7.159 1.00 0.00 C ATOM 117 CZ PHE A 9 -11.848 7.335 7.581 1.00 0.00 C ATOM 0 H PHE A 9 -6.195 6.126 10.010 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.361 5.873 7.463 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.578 7.466 9.806 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -7.293 8.592 8.494 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -9.474 5.626 9.355 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -9.110 9.354 7.207 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -11.869 5.483 8.698 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -11.506 9.207 6.550 1.00 0.00 H new ATOM 0 HZ PHE A 9 -12.888 7.272 7.296 1.00 0.00 H new ATOM 127 N GLN A 10 -4.911 8.136 7.642 1.00 0.00 N ATOM 128 CA GLN A 10 -3.931 8.859 6.849 1.00 0.00 C ATOM 129 C GLN A 10 -3.151 7.869 5.983 1.00 0.00 C ATOM 130 O GLN A 10 -3.191 8.003 4.751 1.00 0.00 O ATOM 131 CB GLN A 10 -2.988 9.678 7.732 1.00 0.00 C ATOM 132 CG GLN A 10 -3.657 10.972 8.199 1.00 0.00 C ATOM 133 CD GLN A 10 -3.645 11.076 9.726 1.00 0.00 C ATOM 134 OE1 GLN A 10 -2.778 10.546 10.403 1.00 0.00 O ATOM 135 NE2 GLN A 10 -4.650 11.785 10.228 1.00 0.00 N ATOM 0 H GLN A 10 -4.892 8.359 8.637 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.455 9.565 6.204 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -2.689 9.086 8.597 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -2.079 9.914 7.178 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.139 11.829 7.769 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.685 11.006 7.837 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -5.342 12.202 9.605 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.730 11.913 11.237 1.00 0.00 H new ATOM 144 N VAL A 11 -2.467 6.910 6.631 1.00 0.00 N ATOM 145 CA VAL A 11 -1.686 5.908 5.926 1.00 0.00 C ATOM 146 C VAL A 11 -2.499 5.374 4.745 1.00 0.00 C ATOM 147 O VAL A 11 -2.084 5.590 3.597 1.00 0.00 O ATOM 148 CB VAL A 11 -1.245 4.809 6.895 1.00 0.00 C ATOM 149 CG1 VAL A 11 -0.962 3.504 6.150 1.00 0.00 C ATOM 150 CG2 VAL A 11 -0.026 5.252 7.708 1.00 0.00 C ATOM 0 H VAL A 11 -2.447 6.817 7.647 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.775 6.349 5.521 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.064 4.627 7.591 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.650 2.739 6.861 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.865 3.175 5.636 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.168 3.666 5.421 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.267 4.453 8.389 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.800 5.475 7.033 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.276 6.144 8.282 1.00 0.00 H new ATOM 160 N ASP A 12 -3.622 4.697 5.045 1.00 0.00 N ATOM 161 CA ASP A 12 -4.482 4.137 4.016 1.00 0.00 C ATOM 162 C ASP A 12 -4.540 5.099 2.827 1.00 0.00 C ATOM 163 O ASP A 12 -4.194 4.681 1.712 1.00 0.00 O ATOM 164 CB ASP A 12 -5.908 3.943 4.536 1.00 0.00 C ATOM 165 CG ASP A 12 -6.670 2.772 3.911 1.00 0.00 C ATOM 166 OD1 ASP A 12 -6.555 2.507 2.705 1.00 0.00 O ATOM 167 OD2 ASP A 12 -7.418 2.111 4.727 1.00 0.00 O ATOM 0 H ASP A 12 -3.946 4.530 5.998 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.071 3.172 3.721 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.868 3.797 5.615 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.471 4.859 4.359 1.00 0.00 H new ATOM 172 N CYS A 13 -4.968 6.348 3.084 1.00 0.00 N ATOM 173 CA CYS A 13 -5.069 7.356 2.043 1.00 0.00 C ATOM 174 C CYS A 13 -3.796 7.335 1.194 1.00 0.00 C ATOM 175 O CYS A 13 -3.906 7.155 -0.029 1.00 0.00 O ATOM 176 CB CYS A 13 -5.333 8.741 2.638 1.00 0.00 C ATOM 177 SG CYS A 13 -6.835 9.560 2.024 1.00 0.00 S ATOM 0 H CYS A 13 -5.247 6.672 4.010 1.00 0.00 H new ATOM 0 HA CYS A 13 -5.919 7.126 1.401 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -5.404 8.648 3.722 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.476 9.381 2.428 1.00 0.00 H new ATOM 0 HG CYS A 13 -6.583 10.815 1.797 1.00 0.00 H new ATOM 183 N PHE A 14 -2.634 7.515 1.845 1.00 0.00 N ATOM 184 CA PHE A 14 -1.356 7.516 1.155 1.00 0.00 C ATOM 185 C PHE A 14 -1.266 6.282 0.253 1.00 0.00 C ATOM 186 O PHE A 14 -0.926 6.438 -0.928 1.00 0.00 O ATOM 187 CB PHE A 14 -0.216 7.517 2.193 1.00 0.00 C ATOM 188 CG PHE A 14 1.183 7.593 1.600 1.00 0.00 C ATOM 189 CD1 PHE A 14 1.680 8.822 1.109 1.00 0.00 C ATOM 190 CD2 PHE A 14 1.999 6.438 1.543 1.00 0.00 C ATOM 191 CE1 PHE A 14 2.979 8.896 0.562 1.00 0.00 C ATOM 192 CE2 PHE A 14 3.298 6.513 0.997 1.00 0.00 C ATOM 193 CZ PHE A 14 3.788 7.742 0.506 1.00 0.00 C ATOM 0 H PHE A 14 -2.566 7.661 2.852 1.00 0.00 H new ATOM 0 HA PHE A 14 -1.265 8.408 0.536 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.357 8.362 2.867 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.292 6.612 2.797 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.063 9.708 1.153 1.00 0.00 H new ATOM 0 HD2 PHE A 14 1.626 5.496 1.919 1.00 0.00 H new ATOM 0 HE1 PHE A 14 3.354 9.837 0.186 1.00 0.00 H new ATOM 0 HE2 PHE A 14 3.918 5.629 0.955 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.782 7.799 0.088 1.00 0.00 H new ATOM 203 N LEU A 15 -1.570 5.101 0.820 1.00 0.00 N ATOM 204 CA LEU A 15 -1.525 3.854 0.073 1.00 0.00 C ATOM 205 C LEU A 15 -2.341 4.006 -1.213 1.00 0.00 C ATOM 206 O LEU A 15 -1.903 3.493 -2.252 1.00 0.00 O ATOM 207 CB LEU A 15 -1.974 2.686 0.952 1.00 0.00 C ATOM 208 CG LEU A 15 -1.304 2.585 2.325 1.00 0.00 C ATOM 209 CD1 LEU A 15 -1.496 1.189 2.925 1.00 0.00 C ATOM 210 CD2 LEU A 15 0.172 2.977 2.246 1.00 0.00 C ATOM 0 H LEU A 15 -1.849 4.995 1.795 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.502 3.624 -0.223 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.051 2.761 1.100 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.790 1.758 0.411 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.789 3.295 2.996 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.011 1.142 3.900 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.561 0.985 3.039 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.053 0.445 2.263 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.623 2.896 3.235 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.689 2.310 1.556 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.257 4.004 1.891 1.00 0.00 H new ATOM 222 N TRP A 16 -3.493 4.694 -1.117 1.00 0.00 N ATOM 223 CA TRP A 16 -4.358 4.909 -2.264 1.00 0.00 C ATOM 224 C TRP A 16 -3.641 5.800 -3.280 1.00 0.00 C ATOM 225 O TRP A 16 -3.728 5.512 -4.482 1.00 0.00 O ATOM 226 CB TRP A 16 -5.704 5.479 -1.813 1.00 0.00 C ATOM 227 CG TRP A 16 -6.765 5.518 -2.914 1.00 0.00 C ATOM 228 CD1 TRP A 16 -7.768 4.654 -3.123 1.00 0.00 C ATOM 229 CD2 TRP A 16 -6.890 6.510 -3.955 1.00 0.00 C ATOM 230 NE1 TRP A 16 -8.526 5.014 -4.219 1.00 0.00 N ATOM 231 CE2 TRP A 16 -7.975 6.179 -4.740 1.00 0.00 C ATOM 232 CE3 TRP A 16 -6.110 7.648 -4.224 1.00 0.00 C ATOM 233 CZ2 TRP A 16 -8.380 6.935 -5.847 1.00 0.00 C ATOM 234 CZ3 TRP A 16 -6.528 8.394 -5.333 1.00 0.00 C ATOM 235 CH2 TRP A 16 -7.618 8.074 -6.134 1.00 0.00 C ATOM 0 H TRP A 16 -3.837 5.107 -0.250 1.00 0.00 H new ATOM 0 HA TRP A 16 -4.574 3.961 -2.757 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -6.080 4.882 -0.982 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -5.550 6.490 -1.435 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -7.959 3.785 -2.511 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -9.340 4.517 -4.580 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -5.256 7.925 -3.623 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -9.233 6.655 -6.447 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -5.964 9.280 -5.584 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -7.876 8.701 -6.974 1.00 0.00 H new ATOM 246 N HIS A 17 -2.958 6.848 -2.785 1.00 0.00 N ATOM 247 CA HIS A 17 -2.235 7.770 -3.644 1.00 0.00 C ATOM 248 C HIS A 17 -1.143 7.008 -4.398 1.00 0.00 C ATOM 249 O HIS A 17 -1.101 7.106 -5.633 1.00 0.00 O ATOM 250 CB HIS A 17 -1.686 8.951 -2.840 1.00 0.00 C ATOM 251 CG HIS A 17 -2.721 9.996 -2.501 1.00 0.00 C ATOM 252 ND1 HIS A 17 -3.801 9.945 -1.670 1.00 0.00 N flip ATOM 253 CD2 HIS A 17 -2.708 11.269 -3.045 1.00 0.00 C flip ATOM 254 CE1 HIS A 17 -4.413 11.122 -1.702 1.00 0.00 C flip ATOM 255 NE2 HIS A 17 -3.737 11.944 -2.555 1.00 0.00 N flip ATOM 0 H HIS A 17 -2.899 7.068 -1.791 1.00 0.00 H new ATOM 0 HA HIS A 17 -2.915 8.197 -4.382 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -1.247 8.575 -1.916 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -0.882 9.421 -3.407 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -1.982 11.647 -3.749 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -5.300 11.385 -1.145 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -3.981 12.909 -2.777 1.00 0.00 H new ATOM 263 N VAL A 18 -0.295 6.276 -3.653 1.00 0.00 N ATOM 264 CA VAL A 18 0.784 5.507 -4.247 1.00 0.00 C ATOM 265 C VAL A 18 0.201 4.502 -5.243 1.00 0.00 C ATOM 266 O VAL A 18 0.847 4.246 -6.270 1.00 0.00 O ATOM 267 CB VAL A 18 1.621 4.844 -3.151 1.00 0.00 C ATOM 268 CG1 VAL A 18 2.384 5.890 -2.335 1.00 0.00 C ATOM 269 CG2 VAL A 18 0.747 3.973 -2.246 1.00 0.00 C ATOM 0 H VAL A 18 -0.347 6.209 -2.637 1.00 0.00 H new ATOM 0 HA VAL A 18 1.457 6.161 -4.801 1.00 0.00 H new ATOM 0 HB VAL A 18 2.353 4.197 -3.634 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.971 5.392 -1.563 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.050 6.450 -2.992 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.676 6.574 -1.868 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.366 3.513 -1.476 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.019 4.590 -1.776 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.270 3.194 -2.841 1.00 0.00 H new ATOM 279 N ARG A 19 -0.989 3.962 -4.926 1.00 0.00 N ATOM 280 CA ARG A 19 -1.650 2.996 -5.786 1.00 0.00 C ATOM 281 C ARG A 19 -2.049 3.676 -7.097 1.00 0.00 C ATOM 282 O ARG A 19 -1.715 3.142 -8.165 1.00 0.00 O ATOM 283 CB ARG A 19 -2.898 2.410 -5.123 1.00 0.00 C ATOM 284 CG ARG A 19 -2.549 1.175 -4.292 1.00 0.00 C ATOM 285 CD ARG A 19 -3.809 0.387 -3.924 1.00 0.00 C ATOM 286 NE ARG A 19 -3.584 -0.371 -2.672 1.00 0.00 N ATOM 287 CZ ARG A 19 -4.129 -1.577 -2.410 1.00 0.00 C ATOM 288 NH1 ARG A 19 -4.927 -2.143 -3.326 1.00 0.00 N ATOM 289 NH2 ARG A 19 -3.877 -2.201 -1.251 1.00 0.00 N ATOM 0 H ARG A 19 -1.505 4.187 -4.075 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.952 2.180 -5.975 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.362 3.162 -4.485 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.629 2.144 -5.887 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.867 0.536 -4.853 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.028 1.479 -3.384 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.651 1.068 -3.800 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.069 -0.297 -4.732 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.979 0.045 -1.963 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.114 -1.662 -4.206 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.347 -3.054 -3.143 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.269 -1.764 -0.558 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.293 -3.113 -1.062 1.00 0.00 H new ATOM 303 N LYS A 20 -2.747 4.822 -6.993 1.00 0.00 N ATOM 304 CA LYS A 20 -3.186 5.565 -8.162 1.00 0.00 C ATOM 305 C LYS A 20 -1.984 5.835 -9.070 1.00 0.00 C ATOM 306 O LYS A 20 -2.159 5.824 -10.297 1.00 0.00 O ATOM 307 CB LYS A 20 -3.937 6.830 -7.741 1.00 0.00 C ATOM 308 CG LYS A 20 -3.215 8.085 -8.236 1.00 0.00 C ATOM 309 CD LYS A 20 -3.505 8.336 -9.718 1.00 0.00 C ATOM 310 CE LYS A 20 -2.278 8.913 -10.426 1.00 0.00 C ATOM 311 NZ LYS A 20 -2.254 10.381 -10.302 1.00 0.00 N ATOM 0 H LYS A 20 -3.014 5.245 -6.104 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.898 4.978 -8.742 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.950 6.807 -8.142 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.025 6.861 -6.655 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.532 8.947 -7.649 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.141 7.974 -8.086 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.801 7.403 -10.198 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.344 9.025 -9.817 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.370 8.491 -9.995 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.292 8.631 -11.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.415 10.757 -10.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.112 10.780 -10.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.218 10.644 -9.296 1.00 0.00 H new ATOM 325 N GLN A 21 -0.809 6.070 -8.460 1.00 0.00 N ATOM 326 CA GLN A 21 0.406 6.342 -9.208 1.00 0.00 C ATOM 327 C GLN A 21 0.908 5.044 -9.845 1.00 0.00 C ATOM 328 O GLN A 21 1.476 5.108 -10.945 1.00 0.00 O ATOM 329 CB GLN A 21 1.484 6.969 -8.322 1.00 0.00 C ATOM 330 CG GLN A 21 2.217 8.091 -9.061 1.00 0.00 C ATOM 331 CD GLN A 21 1.503 9.430 -8.872 1.00 0.00 C ATOM 332 OE1 GLN A 21 0.243 9.318 -8.459 1.00 0.00 O flip ATOM 333 NE2 GLN A 21 2.057 10.495 -9.088 1.00 0.00 N flip ATOM 0 H GLN A 21 -0.687 6.074 -7.447 1.00 0.00 H new ATOM 0 HA GLN A 21 0.179 7.065 -9.992 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.029 7.364 -7.414 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.197 6.204 -8.015 1.00 0.00 H new ATOM 0 HG2 GLN A 21 3.240 8.165 -8.693 1.00 0.00 H new ATOM 0 HG3 GLN A 21 2.277 7.853 -10.123 1.00 0.00 H new ATOM 0 HE21 GLN A 21 3.027 10.511 -9.403 1.00 0.00 H new ATOM 0 HE22 GLN A 21 1.550 11.370 -8.953 1.00 0.00 H new ATOM 342 N VAL A 22 0.692 3.911 -9.153 1.00 0.00 N ATOM 343 CA VAL A 22 1.118 2.613 -9.648 1.00 0.00 C ATOM 344 C VAL A 22 0.385 2.304 -10.956 1.00 0.00 C ATOM 345 O VAL A 22 1.058 2.011 -11.954 1.00 0.00 O ATOM 346 CB VAL A 22 0.900 1.546 -8.574 1.00 0.00 C ATOM 347 CG1 VAL A 22 0.436 0.228 -9.196 1.00 0.00 C ATOM 348 CG2 VAL A 22 2.166 1.342 -7.738 1.00 0.00 C ATOM 0 H VAL A 22 0.223 3.880 -8.248 1.00 0.00 H new ATOM 0 HA VAL A 22 2.186 2.620 -9.868 1.00 0.00 H new ATOM 0 HB VAL A 22 0.112 1.898 -7.908 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.289 -0.513 -8.410 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.503 0.387 -9.726 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.191 -0.130 -9.895 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.984 0.578 -6.982 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.983 1.023 -8.386 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.435 2.279 -7.250 1.00 0.00 H new ATOM 358 N VAL A 23 -0.957 2.374 -10.924 1.00 0.00 N ATOM 359 CA VAL A 23 -1.771 2.104 -12.097 1.00 0.00 C ATOM 360 C VAL A 23 -1.496 3.170 -13.159 1.00 0.00 C ATOM 361 O VAL A 23 -1.440 2.819 -14.346 1.00 0.00 O ATOM 362 CB VAL A 23 -3.246 2.020 -11.702 1.00 0.00 C ATOM 363 CG1 VAL A 23 -4.064 1.316 -12.787 1.00 0.00 C ATOM 364 CG2 VAL A 23 -3.414 1.324 -10.350 1.00 0.00 C ATOM 0 H VAL A 23 -1.492 2.617 -10.090 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.509 1.139 -12.530 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.625 3.037 -11.603 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.109 1.269 -12.482 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.983 1.871 -13.721 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.683 0.305 -12.932 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -4.472 1.278 -10.094 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.010 0.313 -10.409 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.879 1.884 -9.583 1.00 0.00 H new ATOM 374 N ASP A 24 -1.333 4.430 -12.719 1.00 0.00 N ATOM 375 CA ASP A 24 -1.066 5.535 -13.626 1.00 0.00 C ATOM 376 C ASP A 24 0.356 5.406 -14.174 1.00 0.00 C ATOM 377 O ASP A 24 0.843 6.371 -14.781 1.00 0.00 O ATOM 378 CB ASP A 24 -1.174 6.879 -12.903 1.00 0.00 C ATOM 379 CG ASP A 24 -0.960 8.108 -13.788 1.00 0.00 C ATOM 380 OD1 ASP A 24 -1.884 8.568 -14.477 1.00 0.00 O ATOM 381 OD2 ASP A 24 0.229 8.605 -13.753 1.00 0.00 O ATOM 0 H ASP A 24 -1.384 4.698 -11.736 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.802 5.498 -14.429 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.160 6.949 -12.443 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.443 6.900 -12.095 1.00 0.00 H new ATOM 386 N GLN A 25 0.984 4.237 -13.953 1.00 0.00 N ATOM 387 CA GLN A 25 2.336 3.989 -14.422 1.00 0.00 C ATOM 388 C GLN A 25 2.340 2.754 -15.326 1.00 0.00 C ATOM 389 O GLN A 25 3.402 2.131 -15.470 1.00 0.00 O ATOM 390 CB GLN A 25 3.313 3.818 -13.257 1.00 0.00 C ATOM 391 CG GLN A 25 3.973 5.150 -12.894 1.00 0.00 C ATOM 392 CD GLN A 25 5.493 5.002 -12.804 1.00 0.00 C ATOM 393 OE1 GLN A 25 6.023 3.943 -12.511 1.00 0.00 O ATOM 394 NE2 GLN A 25 6.162 6.120 -13.070 1.00 0.00 N ATOM 0 H GLN A 25 0.565 3.455 -13.450 1.00 0.00 H new ATOM 0 HA GLN A 25 2.671 4.855 -14.993 1.00 0.00 H new ATOM 0 HB2 GLN A 25 2.785 3.422 -12.390 1.00 0.00 H new ATOM 0 HB3 GLN A 25 4.079 3.090 -13.524 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.721 5.901 -13.643 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.582 5.506 -11.941 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.656 6.973 -13.309 1.00 0.00 H new ATOM 0 HE22 GLN A 25 7.181 6.125 -13.035 1.00 0.00 H new ATOM 403 N GLU A 26 1.171 2.431 -15.906 1.00 0.00 N ATOM 404 CA GLU A 26 1.041 1.282 -16.786 1.00 0.00 C ATOM 405 C GLU A 26 1.957 0.160 -16.293 1.00 0.00 C ATOM 406 O GLU A 26 2.596 -0.492 -17.133 1.00 0.00 O ATOM 407 CB GLU A 26 1.354 1.647 -18.239 1.00 0.00 C ATOM 408 CG GLU A 26 2.862 1.615 -18.499 1.00 0.00 C ATOM 409 CD GLU A 26 3.294 2.803 -19.361 1.00 0.00 C ATOM 410 OE1 GLU A 26 2.480 3.110 -20.313 1.00 0.00 O ATOM 411 OE2 GLU A 26 4.360 3.389 -19.119 1.00 0.00 O ATOM 0 H GLU A 26 0.308 2.958 -15.774 1.00 0.00 H new ATOM 0 HA GLU A 26 0.007 0.939 -16.761 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.851 0.950 -18.909 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.964 2.640 -18.460 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.399 1.635 -17.551 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.129 0.683 -18.997 1.00 0.00 H new ATOM 418 N LEU A 27 2.004 -0.039 -14.964 1.00 0.00 N ATOM 419 CA LEU A 27 2.835 -1.072 -14.369 1.00 0.00 C ATOM 420 C LEU A 27 1.939 -2.171 -13.793 1.00 0.00 C ATOM 421 O LEU A 27 2.434 -3.291 -13.595 1.00 0.00 O ATOM 422 CB LEU A 27 3.796 -0.462 -13.346 1.00 0.00 C ATOM 423 CG LEU A 27 3.216 -0.198 -11.955 1.00 0.00 C ATOM 424 CD1 LEU A 27 3.273 -1.457 -11.089 1.00 0.00 C ATOM 425 CD2 LEU A 27 3.912 0.989 -11.288 1.00 0.00 C ATOM 0 H LEU A 27 1.471 0.509 -14.289 1.00 0.00 H new ATOM 0 HA LEU A 27 3.466 -1.538 -15.126 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.653 -1.127 -13.240 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.171 0.480 -13.746 1.00 0.00 H new ATOM 0 HG LEU A 27 2.165 0.067 -12.068 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.855 -1.242 -10.106 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.696 -2.251 -11.563 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.309 -1.777 -10.980 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.481 1.156 -10.301 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.977 0.777 -11.188 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.775 1.881 -11.899 1.00 0.00 H new ATOM 437 N GLY A 28 0.662 -1.837 -13.541 1.00 0.00 N ATOM 438 CA GLY A 28 -0.289 -2.790 -12.993 1.00 0.00 C ATOM 439 C GLY A 28 -0.525 -3.909 -14.008 1.00 0.00 C ATOM 440 O GLY A 28 0.261 -4.017 -14.960 1.00 0.00 O ATOM 0 H GLY A 28 0.274 -0.909 -13.712 1.00 0.00 H new ATOM 0 HA2 GLY A 28 0.091 -3.205 -12.059 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.229 -2.290 -12.760 1.00 0.00 H new ATOM 444 N ASP A 29 -1.585 -4.708 -13.789 1.00 0.00 N ATOM 445 CA ASP A 29 -1.918 -5.807 -14.678 1.00 0.00 C ATOM 446 C ASP A 29 -3.432 -5.842 -14.895 1.00 0.00 C ATOM 447 O ASP A 29 -3.859 -6.082 -16.034 1.00 0.00 O ATOM 448 CB ASP A 29 -1.494 -7.149 -14.077 1.00 0.00 C ATOM 449 CG ASP A 29 -2.135 -8.378 -14.725 1.00 0.00 C ATOM 450 OD1 ASP A 29 -2.087 -8.552 -15.952 1.00 0.00 O ATOM 451 OD2 ASP A 29 -2.712 -9.190 -13.904 1.00 0.00 O ATOM 0 H ASP A 29 -2.220 -4.603 -12.998 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.391 -5.651 -15.619 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -0.411 -7.239 -14.155 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.738 -7.148 -13.015 1.00 0.00 H new ATOM 456 N ALA A 30 -4.200 -5.606 -13.817 1.00 0.00 N ATOM 457 CA ALA A 30 -5.651 -5.611 -13.889 1.00 0.00 C ATOM 458 C ALA A 30 -6.228 -5.585 -12.472 1.00 0.00 C ATOM 459 O ALA A 30 -7.227 -4.883 -12.255 1.00 0.00 O ATOM 460 CB ALA A 30 -6.131 -6.918 -14.524 1.00 0.00 C ATOM 0 H ALA A 30 -3.828 -5.410 -12.888 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.971 -4.746 -14.471 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -7.220 -6.919 -14.577 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -5.719 -7.007 -15.529 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.796 -7.761 -13.919 1.00 0.00 H new ATOM 466 N PRO A 31 -5.599 -6.338 -11.552 1.00 0.00 N ATOM 467 CA PRO A 31 -6.019 -6.424 -10.163 1.00 0.00 C ATOM 468 C PRO A 31 -5.637 -5.157 -9.396 1.00 0.00 C ATOM 469 O PRO A 31 -6.222 -4.914 -8.330 1.00 0.00 O ATOM 470 CB PRO A 31 -5.339 -7.672 -9.624 1.00 0.00 C ATOM 471 CG PRO A 31 -4.203 -7.977 -10.587 1.00 0.00 C ATOM 472 CD PRO A 31 -4.423 -7.153 -11.844 1.00 0.00 C ATOM 0 HA PRO A 31 -7.101 -6.497 -10.054 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.962 -7.506 -8.615 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -6.039 -8.506 -9.569 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.242 -7.732 -10.134 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -4.181 -9.040 -10.827 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -3.556 -6.531 -12.067 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.589 -7.791 -12.712 1.00 0.00 H new ATOM 480 N PHE A 32 -4.680 -4.387 -9.942 1.00 0.00 N ATOM 481 CA PHE A 32 -4.227 -3.157 -9.313 1.00 0.00 C ATOM 482 C PHE A 32 -5.300 -2.079 -9.481 1.00 0.00 C ATOM 483 O PHE A 32 -5.579 -1.369 -8.504 1.00 0.00 O ATOM 484 CB PHE A 32 -2.901 -2.714 -9.960 1.00 0.00 C ATOM 485 CG PHE A 32 -1.651 -3.120 -9.189 1.00 0.00 C ATOM 486 CD1 PHE A 32 -1.728 -4.095 -8.166 1.00 0.00 C ATOM 487 CD2 PHE A 32 -0.408 -2.518 -9.489 1.00 0.00 C ATOM 488 CE1 PHE A 32 -0.568 -4.464 -7.452 1.00 0.00 C ATOM 489 CE2 PHE A 32 0.751 -2.889 -8.773 1.00 0.00 C ATOM 490 CZ PHE A 32 0.671 -3.862 -7.755 1.00 0.00 C ATOM 0 H PHE A 32 -4.210 -4.605 -10.821 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.059 -3.319 -8.248 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.844 -3.133 -10.964 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -2.909 -1.629 -10.067 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -2.676 -4.557 -7.932 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.345 -1.772 -10.268 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.629 -5.209 -6.672 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.699 -2.427 -9.005 1.00 0.00 H new ATOM 0 HZ PHE A 32 1.558 -4.146 -7.208 1.00 0.00 H new ATOM 500 N LEU A 33 -5.870 -1.981 -10.695 1.00 0.00 N ATOM 501 CA LEU A 33 -6.901 -0.999 -10.984 1.00 0.00 C ATOM 502 C LEU A 33 -8.217 -1.443 -10.343 1.00 0.00 C ATOM 503 O LEU A 33 -8.925 -0.585 -9.794 1.00 0.00 O ATOM 504 CB LEU A 33 -7.003 -0.756 -12.491 1.00 0.00 C ATOM 505 CG LEU A 33 -7.943 0.369 -12.929 1.00 0.00 C ATOM 506 CD1 LEU A 33 -7.895 1.536 -11.941 1.00 0.00 C ATOM 507 CD2 LEU A 33 -7.637 0.814 -14.360 1.00 0.00 C ATOM 0 H LEU A 33 -5.625 -2.577 -11.486 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.642 -0.035 -10.546 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.005 -0.537 -12.872 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.330 -1.681 -12.966 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.963 -0.015 -12.925 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -8.572 2.323 -12.274 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.200 1.189 -10.954 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.879 1.928 -11.890 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.320 1.614 -14.646 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.610 1.175 -14.417 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.763 -0.030 -15.038 1.00 0.00 H new ATOM 519 N ASP A 34 -8.513 -2.753 -10.420 1.00 0.00 N ATOM 520 CA ASP A 34 -9.732 -3.301 -9.851 1.00 0.00 C ATOM 521 C ASP A 34 -9.752 -3.033 -8.344 1.00 0.00 C ATOM 522 O ASP A 34 -10.712 -2.410 -7.869 1.00 0.00 O ATOM 523 CB ASP A 34 -9.805 -4.815 -10.063 1.00 0.00 C ATOM 524 CG ASP A 34 -9.996 -5.256 -11.515 1.00 0.00 C ATOM 525 OD1 ASP A 34 -9.773 -4.341 -12.396 1.00 0.00 O ATOM 526 OD2 ASP A 34 -10.338 -6.415 -11.791 1.00 0.00 O ATOM 0 H ASP A 34 -7.915 -3.444 -10.874 1.00 0.00 H new ATOM 0 HA ASP A 34 -10.579 -2.826 -10.345 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.889 -5.265 -9.680 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -10.628 -5.211 -9.468 1.00 0.00 H new ATOM 531 N ARG A 35 -8.709 -3.502 -7.636 1.00 0.00 N ATOM 532 CA ARG A 35 -8.608 -3.313 -6.198 1.00 0.00 C ATOM 533 C ARG A 35 -8.644 -1.817 -5.880 1.00 0.00 C ATOM 534 O ARG A 35 -9.426 -1.419 -5.006 1.00 0.00 O ATOM 535 CB ARG A 35 -7.317 -3.917 -5.640 1.00 0.00 C ATOM 536 CG ARG A 35 -7.500 -5.400 -5.315 1.00 0.00 C ATOM 537 CD ARG A 35 -6.240 -6.196 -5.659 1.00 0.00 C ATOM 538 NE ARG A 35 -5.036 -5.376 -5.395 1.00 0.00 N ATOM 539 CZ ARG A 35 -3.934 -5.831 -4.761 1.00 0.00 C ATOM 540 NH1 ARG A 35 -3.907 -7.101 -4.334 1.00 0.00 N ATOM 541 NH2 ARG A 35 -2.883 -5.024 -4.561 1.00 0.00 N ATOM 0 H ARG A 35 -7.929 -4.014 -8.047 1.00 0.00 H new ATOM 0 HA ARG A 35 -9.451 -3.822 -5.730 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -6.512 -3.797 -6.365 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -7.019 -3.378 -4.741 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -7.731 -5.518 -4.256 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.348 -5.796 -5.873 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.204 -7.110 -5.067 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -6.264 -6.496 -6.707 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.039 -4.406 -5.712 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -4.711 -7.709 -4.490 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -3.082 -7.460 -3.853 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -2.912 -4.058 -4.889 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -2.054 -5.375 -4.081 1.00 0.00 H new ATOM 555 N LEU A 36 -7.809 -1.032 -6.585 1.00 0.00 N ATOM 556 CA LEU A 36 -7.747 0.405 -6.379 1.00 0.00 C ATOM 557 C LEU A 36 -9.145 1.002 -6.547 1.00 0.00 C ATOM 558 O LEU A 36 -9.492 1.916 -5.785 1.00 0.00 O ATOM 559 CB LEU A 36 -6.696 1.032 -7.297 1.00 0.00 C ATOM 560 CG LEU A 36 -6.730 2.558 -7.411 1.00 0.00 C ATOM 561 CD1 LEU A 36 -6.614 3.213 -6.033 1.00 0.00 C ATOM 562 CD2 LEU A 36 -5.654 3.059 -8.377 1.00 0.00 C ATOM 0 H LEU A 36 -7.172 -1.381 -7.301 1.00 0.00 H new ATOM 0 HA LEU A 36 -7.425 0.630 -5.362 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.709 0.736 -6.942 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.816 0.610 -8.295 1.00 0.00 H new ATOM 0 HG LEU A 36 -7.695 2.849 -7.825 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.641 4.297 -6.142 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.445 2.891 -5.406 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.673 2.918 -5.568 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.699 4.146 -8.440 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.671 2.757 -8.015 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.824 2.631 -9.365 1.00 0.00 H new ATOM 574 N ARG A 37 -9.907 0.483 -7.526 1.00 0.00 N ATOM 575 CA ARG A 37 -11.255 0.961 -7.789 1.00 0.00 C ATOM 576 C ARG A 37 -12.119 0.745 -6.546 1.00 0.00 C ATOM 577 O ARG A 37 -12.679 1.728 -6.037 1.00 0.00 O ATOM 578 CB ARG A 37 -11.889 0.233 -8.976 1.00 0.00 C ATOM 579 CG ARG A 37 -12.311 1.223 -10.063 1.00 0.00 C ATOM 580 CD ARG A 37 -12.482 0.517 -11.410 1.00 0.00 C ATOM 581 NE ARG A 37 -13.849 -0.040 -11.520 1.00 0.00 N ATOM 582 CZ ARG A 37 -14.138 -1.233 -12.082 1.00 0.00 C ATOM 583 NH1 ARG A 37 -13.138 -1.976 -12.578 1.00 0.00 N ATOM 584 NH2 ARG A 37 -15.403 -1.668 -12.142 1.00 0.00 N ATOM 0 H ARG A 37 -9.602 -0.269 -8.144 1.00 0.00 H new ATOM 0 HA ARG A 37 -11.196 2.022 -8.033 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -11.180 -0.485 -9.388 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -12.757 -0.334 -8.638 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -13.247 1.704 -9.779 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.563 2.010 -10.153 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -12.300 1.219 -12.224 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -11.746 -0.281 -11.507 1.00 0.00 H new ATOM 0 HE ARG A 37 -14.621 0.512 -11.148 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -12.177 -1.637 -12.527 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -13.338 -2.880 -13.006 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -16.157 -1.097 -11.761 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -15.612 -2.571 -12.568 1.00 0.00 H new ATOM 598 N ARG A 38 -12.211 -0.516 -6.086 1.00 0.00 N ATOM 599 CA ARG A 38 -13.000 -0.854 -4.915 1.00 0.00 C ATOM 600 C ARG A 38 -12.458 -0.093 -3.703 1.00 0.00 C ATOM 601 O ARG A 38 -13.245 0.204 -2.792 1.00 0.00 O ATOM 602 CB ARG A 38 -12.963 -2.356 -4.623 1.00 0.00 C ATOM 603 CG ARG A 38 -13.443 -3.160 -5.833 1.00 0.00 C ATOM 604 CD ARG A 38 -14.146 -4.446 -5.393 1.00 0.00 C ATOM 605 NE ARG A 38 -15.593 -4.360 -5.694 1.00 0.00 N ATOM 606 CZ ARG A 38 -16.392 -5.432 -5.877 1.00 0.00 C ATOM 607 NH1 ARG A 38 -15.863 -6.660 -5.785 1.00 0.00 N ATOM 608 NH2 ARG A 38 -17.695 -5.271 -6.148 1.00 0.00 N ATOM 0 H ARG A 38 -11.742 -1.312 -6.518 1.00 0.00 H new ATOM 0 HA ARG A 38 -14.034 -0.572 -5.113 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -11.948 -2.655 -4.362 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -13.592 -2.578 -3.761 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -14.125 -2.554 -6.429 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -12.594 -3.405 -6.471 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -13.710 -5.303 -5.906 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -13.997 -4.605 -4.325 1.00 0.00 H new ATOM 0 HE ARG A 38 -16.012 -3.433 -5.768 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -14.870 -6.774 -5.579 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -16.453 -7.481 -5.921 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -18.089 -4.333 -6.217 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -18.292 -6.087 -6.285 1.00 0.00 H new ATOM 622 N ASP A 39 -11.145 0.201 -3.715 1.00 0.00 N ATOM 623 CA ASP A 39 -10.507 0.921 -2.626 1.00 0.00 C ATOM 624 C ASP A 39 -10.975 2.377 -2.638 1.00 0.00 C ATOM 625 O ASP A 39 -11.128 2.957 -1.553 1.00 0.00 O ATOM 626 CB ASP A 39 -8.985 0.910 -2.776 1.00 0.00 C ATOM 627 CG ASP A 39 -8.205 0.908 -1.459 1.00 0.00 C ATOM 628 OD1 ASP A 39 -8.389 0.024 -0.609 1.00 0.00 O ATOM 629 OD2 ASP A 39 -7.366 1.878 -1.322 1.00 0.00 O ATOM 0 H ASP A 39 -10.514 -0.055 -4.474 1.00 0.00 H new ATOM 0 HA ASP A 39 -10.780 0.430 -1.692 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.698 0.030 -3.352 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.686 1.783 -3.357 1.00 0.00 H new ATOM 634 N GLN A 40 -11.188 2.930 -3.846 1.00 0.00 N ATOM 635 CA GLN A 40 -11.632 4.305 -3.995 1.00 0.00 C ATOM 636 C GLN A 40 -13.002 4.468 -3.333 1.00 0.00 C ATOM 637 O GLN A 40 -13.109 5.266 -2.390 1.00 0.00 O ATOM 638 CB GLN A 40 -11.682 4.723 -5.466 1.00 0.00 C ATOM 639 CG GLN A 40 -12.357 6.087 -5.627 1.00 0.00 C ATOM 640 CD GLN A 40 -11.350 7.223 -5.434 1.00 0.00 C ATOM 641 OE1 GLN A 40 -10.821 7.275 -4.215 1.00 0.00 O flip ATOM 642 NE2 GLN A 40 -11.073 8.001 -6.332 1.00 0.00 N flip ATOM 0 H GLN A 40 -11.056 2.434 -4.728 1.00 0.00 H new ATOM 0 HA GLN A 40 -10.913 4.960 -3.503 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -10.671 4.764 -5.870 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -12.226 3.974 -6.042 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.807 6.159 -6.617 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -13.165 6.185 -4.902 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -11.517 7.904 -7.245 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -10.398 8.748 -6.169 1.00 0.00 H new ATOM 651 N LYS A 41 -14.005 3.722 -3.830 1.00 0.00 N ATOM 652 CA LYS A 41 -15.352 3.784 -3.290 1.00 0.00 C ATOM 653 C LYS A 41 -15.297 3.606 -1.771 1.00 0.00 C ATOM 654 O LYS A 41 -16.026 4.320 -1.067 1.00 0.00 O ATOM 655 CB LYS A 41 -16.259 2.774 -3.996 1.00 0.00 C ATOM 656 CG LYS A 41 -17.596 3.411 -4.379 1.00 0.00 C ATOM 657 CD LYS A 41 -18.769 2.598 -3.829 1.00 0.00 C ATOM 658 CE LYS A 41 -18.899 2.778 -2.316 1.00 0.00 C ATOM 659 NZ LYS A 41 -20.313 2.936 -1.935 1.00 0.00 N ATOM 0 H LYS A 41 -13.895 3.071 -4.607 1.00 0.00 H new ATOM 0 HA LYS A 41 -15.794 4.762 -3.480 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -15.762 2.397 -4.890 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -16.433 1.918 -3.344 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -17.642 4.429 -3.992 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -17.673 3.478 -5.464 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -19.693 2.910 -4.317 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -18.626 1.543 -4.062 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -18.472 1.916 -1.803 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -18.331 3.652 -1.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -20.383 3.057 -0.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -20.709 3.772 -2.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -20.846 2.090 -2.221 1.00 0.00 H new ATOM 673 N SER A 42 -14.447 2.674 -1.305 1.00 0.00 N ATOM 674 CA SER A 42 -14.301 2.408 0.116 1.00 0.00 C ATOM 675 C SER A 42 -13.723 3.645 0.806 1.00 0.00 C ATOM 676 O SER A 42 -14.206 3.994 1.893 1.00 0.00 O ATOM 677 CB SER A 42 -13.407 1.193 0.369 1.00 0.00 C ATOM 678 OG SER A 42 -13.616 0.636 1.664 1.00 0.00 O ATOM 0 H SER A 42 -13.855 2.097 -1.902 1.00 0.00 H new ATOM 0 HA SER A 42 -15.284 2.183 0.529 1.00 0.00 H new ATOM 0 HB2 SER A 42 -13.604 0.434 -0.388 1.00 0.00 H new ATOM 0 HB3 SER A 42 -12.362 1.484 0.264 1.00 0.00 H new ATOM 0 HG SER A 42 -13.028 -0.138 1.786 1.00 0.00 H new ATOM 684 N LEU A 43 -12.718 4.274 0.170 1.00 0.00 N ATOM 685 CA LEU A 43 -12.083 5.460 0.720 1.00 0.00 C ATOM 686 C LEU A 43 -13.122 6.576 0.850 1.00 0.00 C ATOM 687 O LEU A 43 -13.327 7.063 1.971 1.00 0.00 O ATOM 688 CB LEU A 43 -10.863 5.850 -0.117 1.00 0.00 C ATOM 689 CG LEU A 43 -9.846 6.767 0.566 1.00 0.00 C ATOM 690 CD1 LEU A 43 -9.009 5.994 1.586 1.00 0.00 C ATOM 691 CD2 LEU A 43 -8.973 7.484 -0.467 1.00 0.00 C ATOM 0 H LEU A 43 -12.336 3.971 -0.726 1.00 0.00 H new ATOM 0 HA LEU A 43 -11.703 5.260 1.722 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.351 4.938 -0.424 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.212 6.341 -1.025 1.00 0.00 H new ATOM 0 HG LEU A 43 -10.393 7.535 1.114 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.294 6.669 2.057 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -9.664 5.570 2.348 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.472 5.191 1.082 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -8.259 8.129 0.045 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -8.434 6.747 -1.062 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -9.603 8.087 -1.120 1.00 0.00 H new ATOM 703 N ARG A 44 -13.745 6.953 -0.281 1.00 0.00 N ATOM 704 CA ARG A 44 -14.752 8.000 -0.293 1.00 0.00 C ATOM 705 C ARG A 44 -15.672 7.831 0.918 1.00 0.00 C ATOM 706 O ARG A 44 -15.898 8.821 1.630 1.00 0.00 O ATOM 707 CB ARG A 44 -15.591 7.962 -1.571 1.00 0.00 C ATOM 708 CG ARG A 44 -16.429 9.233 -1.716 1.00 0.00 C ATOM 709 CD ARG A 44 -16.000 10.036 -2.946 1.00 0.00 C ATOM 710 NE ARG A 44 -16.660 9.497 -4.157 1.00 0.00 N ATOM 711 CZ ARG A 44 -17.183 10.264 -5.138 1.00 0.00 C ATOM 712 NH1 ARG A 44 -17.110 11.598 -5.028 1.00 0.00 N ATOM 713 NH2 ARG A 44 -17.765 9.700 -6.204 1.00 0.00 N ATOM 0 H ARG A 44 -13.560 6.540 -1.195 1.00 0.00 H new ATOM 0 HA ARG A 44 -14.239 8.961 -0.253 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -14.937 7.853 -2.436 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -16.246 7.091 -1.554 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -17.484 8.970 -1.799 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -16.323 9.847 -0.822 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -16.263 11.086 -2.815 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -14.917 9.990 -3.061 1.00 0.00 H new ATOM 0 HE ARG A 44 -16.724 8.484 -4.256 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -16.665 12.019 -4.213 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -17.500 12.192 -5.760 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -17.816 8.684 -6.279 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -18.158 10.286 -6.941 1.00 0.00 H new ATOM 727 N GLY A 45 -16.175 6.601 1.125 1.00 0.00 N ATOM 728 CA GLY A 45 -17.061 6.309 2.238 1.00 0.00 C ATOM 729 C GLY A 45 -16.338 6.614 3.553 1.00 0.00 C ATOM 730 O GLY A 45 -16.938 7.270 4.417 1.00 0.00 O ATOM 0 H GLY A 45 -15.975 5.799 0.527 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -17.969 6.907 2.162 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -17.365 5.263 2.211 1.00 0.00 H new ATOM 734 N ARG A 46 -15.086 6.138 3.675 1.00 0.00 N ATOM 735 CA ARG A 46 -14.293 6.359 4.872 1.00 0.00 C ATOM 736 C ARG A 46 -14.136 7.863 5.106 1.00 0.00 C ATOM 737 O ARG A 46 -14.683 8.366 6.098 1.00 0.00 O ATOM 738 CB ARG A 46 -12.908 5.721 4.756 1.00 0.00 C ATOM 739 CG ARG A 46 -12.976 4.212 4.999 1.00 0.00 C ATOM 740 CD ARG A 46 -11.575 3.613 5.131 1.00 0.00 C ATOM 741 NE ARG A 46 -11.459 2.871 6.406 1.00 0.00 N ATOM 742 CZ ARG A 46 -10.313 2.750 7.109 1.00 0.00 C ATOM 743 NH1 ARG A 46 -9.199 3.328 6.640 1.00 0.00 N ATOM 744 NH2 ARG A 46 -10.289 2.061 8.258 1.00 0.00 N ATOM 0 H ARG A 46 -14.611 5.598 2.951 1.00 0.00 H new ATOM 0 HA ARG A 46 -14.812 5.895 5.710 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -12.496 5.915 3.766 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -12.231 6.179 5.478 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -13.548 4.012 5.905 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -13.505 3.731 4.176 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -11.376 2.945 4.293 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -10.827 4.405 5.092 1.00 0.00 H new ATOM 0 HE ARG A 46 -12.297 2.423 6.777 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -9.225 3.850 5.764 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -8.325 3.246 7.159 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -11.141 1.623 8.608 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -9.419 1.975 8.783 1.00 0.00 H new ATOM 758 N GLY A 47 -13.405 8.540 4.202 1.00 0.00 N ATOM 759 CA GLY A 47 -13.181 9.971 4.308 1.00 0.00 C ATOM 760 C GLY A 47 -14.496 10.663 4.676 1.00 0.00 C ATOM 761 O GLY A 47 -14.586 11.205 5.787 1.00 0.00 O ATOM 0 H GLY A 47 -12.963 8.106 3.392 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.424 10.177 5.065 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.803 10.362 3.364 1.00 0.00 H new ATOM 765 N SER A 48 -15.471 10.632 3.750 1.00 0.00 N ATOM 766 CA SER A 48 -16.767 11.251 3.975 1.00 0.00 C ATOM 767 C SER A 48 -17.226 10.956 5.405 1.00 0.00 C ATOM 768 O SER A 48 -17.415 11.911 6.173 1.00 0.00 O ATOM 769 CB SER A 48 -17.807 10.754 2.971 1.00 0.00 C ATOM 770 OG SER A 48 -19.037 11.464 3.081 1.00 0.00 O ATOM 0 H SER A 48 -15.375 10.181 2.840 1.00 0.00 H new ATOM 0 HA SER A 48 -16.666 12.327 3.835 1.00 0.00 H new ATOM 0 HB2 SER A 48 -17.415 10.862 1.960 1.00 0.00 H new ATOM 0 HB3 SER A 48 -17.986 9.691 3.131 1.00 0.00 H new ATOM 0 HG SER A 48 -19.674 11.118 2.422 1.00 0.00 H new ATOM 776 N THR A 49 -17.394 9.662 5.729 1.00 0.00 N ATOM 777 CA THR A 49 -17.827 9.249 7.053 1.00 0.00 C ATOM 778 C THR A 49 -17.185 10.159 8.101 1.00 0.00 C ATOM 779 O THR A 49 -17.895 10.591 9.022 1.00 0.00 O ATOM 780 CB THR A 49 -17.485 7.770 7.240 1.00 0.00 C ATOM 781 OG1 THR A 49 -18.656 7.085 6.808 1.00 0.00 O ATOM 782 CG2 THR A 49 -17.350 7.382 8.714 1.00 0.00 C ATOM 0 H THR A 49 -17.233 8.890 5.082 1.00 0.00 H new ATOM 0 HA THR A 49 -18.906 9.349 7.172 1.00 0.00 H new ATOM 0 HB THR A 49 -16.555 7.544 6.718 1.00 0.00 H new ATOM 0 HG1 THR A 49 -18.575 6.868 5.856 1.00 0.00 H new ATOM 0 HG21 THR A 49 -17.107 6.322 8.790 1.00 0.00 H new ATOM 0 HG22 THR A 49 -16.556 7.971 9.174 1.00 0.00 H new ATOM 0 HG23 THR A 49 -18.291 7.576 9.229 1.00 0.00 H new ATOM 790 N LEU A 50 -15.876 10.428 7.945 1.00 0.00 N ATOM 791 CA LEU A 50 -15.149 11.279 8.871 1.00 0.00 C ATOM 792 C LEU A 50 -15.433 12.746 8.541 1.00 0.00 C ATOM 793 O LEU A 50 -16.058 13.425 9.368 1.00 0.00 O ATOM 794 CB LEU A 50 -13.660 10.925 8.867 1.00 0.00 C ATOM 795 CG LEU A 50 -13.053 10.560 10.223 1.00 0.00 C ATOM 796 CD1 LEU A 50 -11.616 10.060 10.064 1.00 0.00 C ATOM 797 CD2 LEU A 50 -13.148 11.732 11.201 1.00 0.00 C ATOM 0 H LEU A 50 -15.309 10.061 7.180 1.00 0.00 H new ATOM 0 HA LEU A 50 -15.491 11.110 9.892 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -13.508 10.088 8.186 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -13.107 11.771 8.460 1.00 0.00 H new ATOM 0 HG LEU A 50 -13.634 9.741 10.647 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -11.208 9.807 11.043 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -11.607 9.175 9.428 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -11.007 10.841 9.608 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -12.709 11.445 12.157 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -12.608 12.588 10.796 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -14.194 11.999 11.348 1.00 0.00 H new ATOM 809 N GLY A 51 -14.976 13.196 7.359 1.00 0.00 N ATOM 810 CA GLY A 51 -15.180 14.569 6.928 1.00 0.00 C ATOM 811 C GLY A 51 -13.870 15.344 7.072 1.00 0.00 C ATOM 812 O GLY A 51 -13.917 16.582 7.093 1.00 0.00 O ATOM 0 H GLY A 51 -14.463 12.619 6.692 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -15.517 14.591 5.891 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -15.961 15.038 7.527 1.00 0.00 H new ATOM 816 N LEU A 52 -12.744 14.614 7.166 1.00 0.00 N ATOM 817 CA LEU A 52 -11.435 15.229 7.307 1.00 0.00 C ATOM 818 C LEU A 52 -11.022 15.849 5.970 1.00 0.00 C ATOM 819 O LEU A 52 -11.548 16.920 5.630 1.00 0.00 O ATOM 820 CB LEU A 52 -10.424 14.220 7.854 1.00 0.00 C ATOM 821 CG LEU A 52 -10.708 13.680 9.258 1.00 0.00 C ATOM 822 CD1 LEU A 52 -9.558 12.799 9.749 1.00 0.00 C ATOM 823 CD2 LEU A 52 -11.014 14.819 10.232 1.00 0.00 C ATOM 0 H LEU A 52 -12.727 13.594 7.146 1.00 0.00 H new ATOM 0 HA LEU A 52 -11.471 16.037 8.038 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.373 13.377 7.165 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.440 14.688 7.858 1.00 0.00 H new ATOM 0 HG LEU A 52 -11.597 13.051 9.209 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.785 12.428 10.749 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.430 11.956 9.070 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.639 13.384 9.779 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -11.212 14.408 11.222 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -10.159 15.493 10.283 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -11.889 15.369 9.886 1.00 0.00 H new ATOM 835 N ASN A 53 -10.106 15.178 5.252 1.00 0.00 N ATOM 836 CA ASN A 53 -9.630 15.660 3.967 1.00 0.00 C ATOM 837 C ASN A 53 -8.672 14.631 3.363 1.00 0.00 C ATOM 838 O ASN A 53 -7.494 14.622 3.749 1.00 0.00 O ATOM 839 CB ASN A 53 -8.868 16.979 4.121 1.00 0.00 C ATOM 840 CG ASN A 53 -9.515 18.085 3.285 1.00 0.00 C ATOM 841 OD1 ASN A 53 -9.926 19.118 3.787 1.00 0.00 O ATOM 842 ND2 ASN A 53 -9.581 17.813 1.986 1.00 0.00 N ATOM 0 H ASN A 53 -9.686 14.298 5.551 1.00 0.00 H new ATOM 0 HA ASN A 53 -10.497 15.815 3.324 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -8.851 17.273 5.170 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.832 16.843 3.812 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -9.995 18.489 1.344 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.218 16.928 1.631 1.00 0.00 H new ATOM 849 N ILE A 54 -9.187 13.796 2.443 1.00 0.00 N ATOM 850 CA ILE A 54 -8.385 12.774 1.795 1.00 0.00 C ATOM 851 C ILE A 54 -6.969 13.309 1.570 1.00 0.00 C ATOM 852 O ILE A 54 -6.010 12.585 1.873 1.00 0.00 O ATOM 853 CB ILE A 54 -9.068 12.287 0.515 1.00 0.00 C ATOM 854 CG1 ILE A 54 -9.822 10.978 0.759 1.00 0.00 C ATOM 855 CG2 ILE A 54 -8.062 12.165 -0.631 1.00 0.00 C ATOM 856 CD1 ILE A 54 -10.775 11.109 1.949 1.00 0.00 C ATOM 0 H ILE A 54 -10.160 13.819 2.139 1.00 0.00 H new ATOM 0 HA ILE A 54 -8.297 11.897 2.436 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.806 13.032 0.217 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -10.385 10.706 -0.134 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.111 10.173 0.945 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -8.573 11.817 -1.529 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.611 13.138 -0.824 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.284 11.452 -0.358 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.299 10.165 2.101 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -10.206 11.357 2.845 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -11.500 11.898 1.749 1.00 0.00 H new ATOM 868 N GLU A 55 -6.868 14.547 1.052 1.00 0.00 N ATOM 869 CA GLU A 55 -5.582 15.170 0.792 1.00 0.00 C ATOM 870 C GLU A 55 -4.806 15.298 2.105 1.00 0.00 C ATOM 871 O GLU A 55 -3.741 14.677 2.223 1.00 0.00 O ATOM 872 CB GLU A 55 -5.744 16.532 0.115 1.00 0.00 C ATOM 873 CG GLU A 55 -4.914 16.610 -1.167 1.00 0.00 C ATOM 874 CD GLU A 55 -4.947 18.021 -1.757 1.00 0.00 C ATOM 875 OE1 GLU A 55 -5.066 18.971 -0.893 1.00 0.00 O ATOM 876 OE2 GLU A 55 -4.863 18.183 -2.985 1.00 0.00 O ATOM 0 H GLU A 55 -7.671 15.127 0.809 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.021 14.538 0.103 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -6.795 16.704 -0.117 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -5.436 17.322 0.800 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -3.884 16.325 -0.955 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -5.298 15.898 -1.897 1.00 0.00 H new ATOM 883 N ALA A 56 -5.349 16.087 3.049 1.00 0.00 N ATOM 884 CA ALA A 56 -4.712 16.293 4.339 1.00 0.00 C ATOM 885 C ALA A 56 -4.283 14.941 4.913 1.00 0.00 C ATOM 886 O ALA A 56 -3.077 14.746 5.125 1.00 0.00 O ATOM 887 CB ALA A 56 -5.725 16.876 5.326 1.00 0.00 C ATOM 0 H ALA A 56 -6.229 16.588 2.932 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.862 16.961 4.201 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.245 17.029 6.292 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.093 17.830 4.948 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.560 16.185 5.441 1.00 0.00 H new ATOM 893 N ALA A 57 -5.261 14.048 5.147 1.00 0.00 N ATOM 894 CA ALA A 57 -4.987 12.730 5.690 1.00 0.00 C ATOM 895 C ALA A 57 -3.797 12.115 4.950 1.00 0.00 C ATOM 896 O ALA A 57 -2.741 11.940 5.575 1.00 0.00 O ATOM 897 CB ALA A 57 -6.178 11.806 5.426 1.00 0.00 C ATOM 0 H ALA A 57 -6.248 14.228 4.964 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.791 12.831 6.757 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.969 10.817 5.835 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -7.069 12.215 5.903 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.346 11.726 4.352 1.00 0.00 H new ATOM 903 N THR A 58 -3.988 11.807 3.654 1.00 0.00 N ATOM 904 CA THR A 58 -2.937 11.219 2.841 1.00 0.00 C ATOM 905 C THR A 58 -1.640 12.006 3.044 1.00 0.00 C ATOM 906 O THR A 58 -0.562 11.411 2.903 1.00 0.00 O ATOM 907 CB THR A 58 -3.407 11.187 1.385 1.00 0.00 C ATOM 908 OG1 THR A 58 -2.735 10.060 0.828 1.00 0.00 O ATOM 909 CG2 THR A 58 -2.881 12.373 0.574 1.00 0.00 C ATOM 0 H THR A 58 -4.866 11.960 3.158 1.00 0.00 H new ATOM 0 HA THR A 58 -2.727 10.191 3.138 1.00 0.00 H new ATOM 0 HB THR A 58 -4.497 11.182 1.355 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.237 9.729 0.054 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.244 12.302 -0.451 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.233 13.303 1.020 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.791 12.360 0.575 1.00 0.00 H new ATOM 917 N HIS A 59 -1.769 13.306 3.363 1.00 0.00 N ATOM 918 CA HIS A 59 -0.615 14.162 3.582 1.00 0.00 C ATOM 919 C HIS A 59 0.179 13.645 4.783 1.00 0.00 C ATOM 920 O HIS A 59 1.315 13.190 4.587 1.00 0.00 O ATOM 921 CB HIS A 59 -1.040 15.624 3.736 1.00 0.00 C ATOM 922 CG HIS A 59 -0.105 16.609 3.076 1.00 0.00 C ATOM 923 ND1 HIS A 59 0.356 17.747 3.714 1.00 0.00 N ATOM 924 CD2 HIS A 59 0.450 16.612 1.830 1.00 0.00 C ATOM 925 CE1 HIS A 59 1.152 18.400 2.880 1.00 0.00 C ATOM 926 NE2 HIS A 59 1.208 17.695 1.712 1.00 0.00 N ATOM 0 H HIS A 59 -2.667 13.777 3.472 1.00 0.00 H new ATOM 0 HA HIS A 59 0.040 14.128 2.711 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -2.038 15.748 3.315 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -1.110 15.861 4.798 1.00 0.00 H new ATOM 0 HD2 HIS A 59 0.298 15.861 1.069 1.00 0.00 H new ATOM 0 HE1 HIS A 59 1.666 19.327 3.088 1.00 0.00 H new ATOM 0 HE2 HIS A 59 1.744 17.957 0.885 1.00 0.00 H new ATOM 934 N VAL A 60 -0.426 13.724 5.983 1.00 0.00 N ATOM 935 CA VAL A 60 0.221 13.267 7.201 1.00 0.00 C ATOM 936 C VAL A 60 0.789 11.865 6.977 1.00 0.00 C ATOM 937 O VAL A 60 1.926 11.613 7.405 1.00 0.00 O ATOM 938 CB VAL A 60 -0.762 13.333 8.371 1.00 0.00 C ATOM 939 CG1 VAL A 60 -0.567 12.148 9.320 1.00 0.00 C ATOM 940 CG2 VAL A 60 -0.635 14.662 9.120 1.00 0.00 C ATOM 0 H VAL A 60 -1.363 14.102 6.122 1.00 0.00 H new ATOM 0 HA VAL A 60 1.056 13.919 7.457 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.771 13.273 7.964 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.278 12.220 10.143 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.732 11.217 8.778 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.448 12.162 9.716 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.345 14.683 9.947 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.378 14.765 9.509 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.848 15.486 8.438 1.00 0.00 H new ATOM 950 N GLY A 61 0.002 10.993 6.321 1.00 0.00 N ATOM 951 CA GLY A 61 0.424 9.631 6.044 1.00 0.00 C ATOM 952 C GLY A 61 1.746 9.658 5.275 1.00 0.00 C ATOM 953 O GLY A 61 2.673 8.934 5.669 1.00 0.00 O ATOM 0 H GLY A 61 -0.931 11.220 5.977 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.543 9.078 6.976 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -0.338 9.113 5.462 1.00 0.00 H new ATOM 957 N LYS A 62 1.808 10.478 4.210 1.00 0.00 N ATOM 958 CA LYS A 62 3.007 10.596 3.397 1.00 0.00 C ATOM 959 C LYS A 62 4.206 10.887 4.302 1.00 0.00 C ATOM 960 O LYS A 62 5.307 10.409 3.992 1.00 0.00 O ATOM 961 CB LYS A 62 2.804 11.633 2.292 1.00 0.00 C ATOM 962 CG LYS A 62 4.118 12.342 1.957 1.00 0.00 C ATOM 963 CD LYS A 62 5.127 11.367 1.346 1.00 0.00 C ATOM 964 CE LYS A 62 6.522 11.582 1.935 1.00 0.00 C ATOM 965 NZ LYS A 62 7.403 12.227 0.947 1.00 0.00 N ATOM 0 H LYS A 62 1.033 11.065 3.901 1.00 0.00 H new ATOM 0 HA LYS A 62 3.215 9.656 2.886 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.411 11.146 1.399 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.062 12.366 2.608 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.928 13.158 1.260 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.537 12.786 2.860 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.805 10.342 1.530 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.160 11.502 0.265 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.454 12.201 2.830 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.946 10.625 2.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.346 12.366 1.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.481 11.622 0.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.005 13.149 0.676 1.00 0.00 H new ATOM 979 N GLN A 63 3.973 11.650 5.384 1.00 0.00 N ATOM 980 CA GLN A 63 5.026 12.000 6.322 1.00 0.00 C ATOM 981 C GLN A 63 5.379 10.772 7.164 1.00 0.00 C ATOM 982 O GLN A 63 6.573 10.557 7.421 1.00 0.00 O ATOM 983 CB GLN A 63 4.621 13.177 7.210 1.00 0.00 C ATOM 984 CG GLN A 63 5.177 14.493 6.665 1.00 0.00 C ATOM 985 CD GLN A 63 4.366 14.974 5.459 1.00 0.00 C ATOM 986 OE1 GLN A 63 3.050 14.927 5.640 1.00 0.00 O flip ATOM 987 NE2 GLN A 63 4.900 15.361 4.433 1.00 0.00 N flip ATOM 0 H GLN A 63 3.057 12.032 5.621 1.00 0.00 H new ATOM 0 HA GLN A 63 5.905 12.317 5.760 1.00 0.00 H new ATOM 0 HB2 GLN A 63 3.534 13.235 7.270 1.00 0.00 H new ATOM 0 HB3 GLN A 63 4.988 13.015 8.224 1.00 0.00 H new ATOM 0 HG2 GLN A 63 5.157 15.252 7.447 1.00 0.00 H new ATOM 0 HG3 GLN A 63 6.220 14.360 6.377 1.00 0.00 H new ATOM 0 HE21 GLN A 63 5.917 15.371 4.360 1.00 0.00 H new ATOM 0 HE22 GLN A 63 4.329 15.674 3.648 1.00 0.00 H new ATOM 996 N ILE A 64 4.353 10.005 7.572 1.00 0.00 N ATOM 997 CA ILE A 64 4.554 8.812 8.377 1.00 0.00 C ATOM 998 C ILE A 64 5.421 7.820 7.601 1.00 0.00 C ATOM 999 O ILE A 64 6.343 7.247 8.201 1.00 0.00 O ATOM 1000 CB ILE A 64 3.210 8.236 8.825 1.00 0.00 C ATOM 1001 CG1 ILE A 64 3.020 8.399 10.335 1.00 0.00 C ATOM 1002 CG2 ILE A 64 3.063 6.779 8.383 1.00 0.00 C ATOM 1003 CD1 ILE A 64 4.028 7.548 11.110 1.00 0.00 C ATOM 0 H ILE A 64 3.377 10.201 7.351 1.00 0.00 H new ATOM 0 HA ILE A 64 5.091 9.056 9.294 1.00 0.00 H new ATOM 0 HB ILE A 64 2.416 8.802 8.337 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.138 9.448 10.609 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.006 8.109 10.611 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.099 6.394 8.714 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.123 6.721 7.296 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.862 6.183 8.823 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.871 7.682 12.180 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.892 6.498 10.852 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.041 7.857 10.850 1.00 0.00 H new ATOM 1015 N VAL A 65 5.115 7.636 6.304 1.00 0.00 N ATOM 1016 CA VAL A 65 5.861 6.721 5.458 1.00 0.00 C ATOM 1017 C VAL A 65 7.290 7.241 5.287 1.00 0.00 C ATOM 1018 O VAL A 65 8.231 6.477 5.546 1.00 0.00 O ATOM 1019 CB VAL A 65 5.132 6.526 4.127 1.00 0.00 C ATOM 1020 CG1 VAL A 65 6.057 5.900 3.082 1.00 0.00 C ATOM 1021 CG2 VAL A 65 3.866 5.687 4.312 1.00 0.00 C ATOM 0 H VAL A 65 4.351 8.117 5.829 1.00 0.00 H new ATOM 0 HA VAL A 65 5.927 5.738 5.924 1.00 0.00 H new ATOM 0 HB VAL A 65 4.832 7.509 3.763 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.514 5.772 2.145 1.00 0.00 H new ATOM 0 HG12 VAL A 65 6.915 6.552 2.918 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.402 4.929 3.437 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.367 5.564 3.351 1.00 0.00 H new ATOM 0 HG22 VAL A 65 4.133 4.708 4.710 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.194 6.190 5.007 1.00 0.00 H new ATOM 1031 N GLU A 66 7.421 8.510 4.860 1.00 0.00 N ATOM 1032 CA GLU A 66 8.723 9.124 4.658 1.00 0.00 C ATOM 1033 C GLU A 66 9.558 8.969 5.930 1.00 0.00 C ATOM 1034 O GLU A 66 10.789 8.858 5.819 1.00 0.00 O ATOM 1035 CB GLU A 66 8.595 10.595 4.262 1.00 0.00 C ATOM 1036 CG GLU A 66 9.191 11.507 5.337 1.00 0.00 C ATOM 1037 CD GLU A 66 9.068 12.979 4.937 1.00 0.00 C ATOM 1038 OE1 GLU A 66 9.759 13.322 3.903 1.00 0.00 O ATOM 1039 OE2 GLU A 66 8.344 13.741 5.595 1.00 0.00 O ATOM 0 H GLU A 66 6.632 9.122 4.651 1.00 0.00 H new ATOM 0 HA GLU A 66 9.225 8.616 3.834 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.103 10.765 3.313 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.545 10.844 4.110 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.680 11.340 6.285 1.00 0.00 H new ATOM 0 HG3 GLU A 66 10.240 11.255 5.492 1.00 0.00 H new ATOM 1046 N LYS A 67 8.886 8.964 7.096 1.00 0.00 N ATOM 1047 CA LYS A 67 9.562 8.824 8.374 1.00 0.00 C ATOM 1048 C LYS A 67 9.983 7.366 8.567 1.00 0.00 C ATOM 1049 O LYS A 67 10.967 7.126 9.282 1.00 0.00 O ATOM 1050 CB LYS A 67 8.686 9.366 9.505 1.00 0.00 C ATOM 1051 CG LYS A 67 9.282 9.024 10.872 1.00 0.00 C ATOM 1052 CD LYS A 67 8.270 9.280 11.991 1.00 0.00 C ATOM 1053 CE LYS A 67 8.976 9.709 13.280 1.00 0.00 C ATOM 1054 NZ LYS A 67 9.781 8.601 13.819 1.00 0.00 N ATOM 0 H LYS A 67 7.873 9.056 7.166 1.00 0.00 H new ATOM 0 HA LYS A 67 10.472 9.423 8.391 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.588 10.447 9.407 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.683 8.946 9.426 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.590 7.978 10.887 1.00 0.00 H new ATOM 0 HG3 LYS A 67 10.177 9.622 11.042 1.00 0.00 H new ATOM 0 HD2 LYS A 67 7.568 10.054 11.681 1.00 0.00 H new ATOM 0 HD3 LYS A 67 7.688 8.377 12.174 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.616 10.569 13.082 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.238 10.024 14.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 10.171 8.873 14.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 9.181 7.759 13.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 10.560 8.387 13.164 1.00 0.00 H new ATOM 1068 N ILE A 68 9.244 6.436 7.936 1.00 0.00 N ATOM 1069 CA ILE A 68 9.539 5.018 8.038 1.00 0.00 C ATOM 1070 C ILE A 68 10.762 4.693 7.178 1.00 0.00 C ATOM 1071 O ILE A 68 11.529 3.796 7.559 1.00 0.00 O ATOM 1072 CB ILE A 68 8.303 4.187 7.687 1.00 0.00 C ATOM 1073 CG1 ILE A 68 7.512 3.824 8.945 1.00 0.00 C ATOM 1074 CG2 ILE A 68 8.687 2.949 6.874 1.00 0.00 C ATOM 1075 CD1 ILE A 68 6.016 3.718 8.641 1.00 0.00 C ATOM 0 H ILE A 68 8.438 6.655 7.351 1.00 0.00 H new ATOM 0 HA ILE A 68 9.791 4.754 9.065 1.00 0.00 H new ATOM 0 HB ILE A 68 7.650 4.794 7.060 1.00 0.00 H new ATOM 0 HG12 ILE A 68 7.873 2.877 9.345 1.00 0.00 H new ATOM 0 HG13 ILE A 68 7.678 4.579 9.714 1.00 0.00 H new ATOM 0 HG21 ILE A 68 7.790 2.376 6.638 1.00 0.00 H new ATOM 0 HG22 ILE A 68 9.174 3.258 5.949 1.00 0.00 H new ATOM 0 HG23 ILE A 68 9.371 2.330 7.455 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.477 3.459 9.552 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.653 4.674 8.264 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.851 2.945 7.890 1.00 0.00 H new ATOM 1087 N LEU A 69 10.918 5.416 6.055 1.00 0.00 N ATOM 1088 CA LEU A 69 12.038 5.205 5.153 1.00 0.00 C ATOM 1089 C LEU A 69 13.326 5.684 5.825 1.00 0.00 C ATOM 1090 O LEU A 69 14.358 5.016 5.667 1.00 0.00 O ATOM 1091 CB LEU A 69 11.768 5.868 3.800 1.00 0.00 C ATOM 1092 CG LEU A 69 10.310 6.229 3.509 1.00 0.00 C ATOM 1093 CD1 LEU A 69 10.193 7.042 2.219 1.00 0.00 C ATOM 1094 CD2 LEU A 69 9.430 4.977 3.479 1.00 0.00 C ATOM 0 H LEU A 69 10.275 6.151 5.760 1.00 0.00 H new ATOM 0 HA LEU A 69 12.163 4.143 4.943 1.00 0.00 H new ATOM 0 HB2 LEU A 69 12.366 6.777 3.737 1.00 0.00 H new ATOM 0 HB3 LEU A 69 12.120 5.200 3.014 1.00 0.00 H new ATOM 0 HG LEU A 69 9.946 6.859 4.321 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.146 7.285 2.036 1.00 0.00 H new ATOM 0 HD12 LEU A 69 10.768 7.963 2.316 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.581 6.458 1.384 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.399 5.262 3.270 1.00 0.00 H new ATOM 0 HD22 LEU A 69 9.785 4.302 2.700 1.00 0.00 H new ATOM 0 HD23 LEU A 69 9.479 4.475 4.445 1.00 0.00 H new ATOM 1106 N LYS A 70 13.242 6.813 6.551 1.00 0.00 N ATOM 1107 CA LYS A 70 14.394 7.373 7.241 1.00 0.00 C ATOM 1108 C LYS A 70 14.949 6.338 8.220 1.00 0.00 C ATOM 1109 O LYS A 70 16.144 6.412 8.542 1.00 0.00 O ATOM 1110 CB LYS A 70 14.029 8.707 7.895 1.00 0.00 C ATOM 1111 CG LYS A 70 13.290 8.485 9.217 1.00 0.00 C ATOM 1112 CD LYS A 70 14.054 9.113 10.384 1.00 0.00 C ATOM 1113 CE LYS A 70 15.422 8.450 10.564 1.00 0.00 C ATOM 1114 NZ LYS A 70 15.266 7.084 11.090 1.00 0.00 N ATOM 0 H LYS A 70 12.382 7.349 6.669 1.00 0.00 H new ATOM 0 HA LYS A 70 15.191 7.600 6.532 1.00 0.00 H new ATOM 0 HB2 LYS A 70 14.934 9.289 8.073 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.404 9.289 7.218 1.00 0.00 H new ATOM 0 HG2 LYS A 70 12.291 8.918 9.157 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.164 7.417 9.393 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.184 10.180 10.206 1.00 0.00 H new ATOM 0 HD3 LYS A 70 13.473 9.011 11.301 1.00 0.00 H new ATOM 0 HE2 LYS A 70 15.947 8.421 9.609 1.00 0.00 H new ATOM 0 HE3 LYS A 70 16.033 9.041 11.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 15.884 6.436 10.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.527 7.068 12.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 14.276 6.782 10.984 1.00 0.00 H new ATOM 1128 N GLU A 71 14.086 5.409 8.669 1.00 0.00 N ATOM 1129 CA GLU A 71 14.489 4.371 9.602 1.00 0.00 C ATOM 1130 C GLU A 71 15.148 3.225 8.831 1.00 0.00 C ATOM 1131 O GLU A 71 15.887 2.446 9.451 1.00 0.00 O ATOM 1132 CB GLU A 71 13.303 3.866 10.427 1.00 0.00 C ATOM 1133 CG GLU A 71 12.168 4.893 10.441 1.00 0.00 C ATOM 1134 CD GLU A 71 11.030 4.438 11.357 1.00 0.00 C ATOM 1135 OE1 GLU A 71 10.784 3.230 11.488 1.00 0.00 O ATOM 1136 OE2 GLU A 71 10.389 5.392 11.945 1.00 0.00 O ATOM 0 H GLU A 71 13.105 5.366 8.393 1.00 0.00 H new ATOM 0 HA GLU A 71 15.208 4.792 10.304 1.00 0.00 H new ATOM 0 HB2 GLU A 71 12.942 2.925 10.013 1.00 0.00 H new ATOM 0 HB3 GLU A 71 13.626 3.662 11.448 1.00 0.00 H new ATOM 0 HG2 GLU A 71 12.549 5.857 10.779 1.00 0.00 H new ATOM 0 HG3 GLU A 71 11.790 5.037 9.429 1.00 0.00 H new ATOM 1199 N SER B 3 4.521 -9.583 -18.074 1.00 0.00 N ATOM 1200 CA SER B 3 5.381 -8.413 -18.008 1.00 0.00 C ATOM 1201 C SER B 3 4.803 -7.415 -17.003 1.00 0.00 C ATOM 1202 O SER B 3 5.500 -7.085 -16.032 1.00 0.00 O ATOM 1203 CB SER B 3 5.535 -7.754 -19.381 1.00 0.00 C ATOM 1204 OG SER B 3 6.715 -8.190 -20.052 1.00 0.00 O ATOM 0 HA SER B 3 6.372 -8.730 -17.683 1.00 0.00 H new ATOM 0 HB2 SER B 3 4.663 -7.984 -19.994 1.00 0.00 H new ATOM 0 HB3 SER B 3 5.564 -6.671 -19.262 1.00 0.00 H new ATOM 0 HG SER B 3 6.777 -7.749 -20.925 1.00 0.00 H new ATOM 1210 N ASN B 4 3.560 -6.965 -17.249 1.00 0.00 N ATOM 1211 CA ASN B 4 2.897 -6.014 -16.373 1.00 0.00 C ATOM 1212 C ASN B 4 2.483 -6.723 -15.081 1.00 0.00 C ATOM 1213 O ASN B 4 2.338 -6.041 -14.055 1.00 0.00 O ATOM 1214 CB ASN B 4 1.635 -5.448 -17.025 1.00 0.00 C ATOM 1215 CG ASN B 4 1.748 -3.934 -17.216 1.00 0.00 C ATOM 1216 OD1 ASN B 4 2.814 -3.348 -17.120 1.00 0.00 O ATOM 1217 ND2 ASN B 4 0.593 -3.336 -17.492 1.00 0.00 N ATOM 0 H ASN B 4 3.002 -7.253 -18.053 1.00 0.00 H new ATOM 0 HA ASN B 4 3.593 -5.200 -16.171 1.00 0.00 H new ATOM 0 HB2 ASN B 4 1.473 -5.929 -17.990 1.00 0.00 H new ATOM 0 HB3 ASN B 4 0.768 -5.676 -16.405 1.00 0.00 H new ATOM 0 HD21 ASN B 4 0.563 -2.327 -17.638 1.00 0.00 H new ATOM 0 HD22 ASN B 4 -0.263 -3.886 -17.558 1.00 0.00 H new ATOM 1224 N THR B 5 2.306 -8.053 -15.154 1.00 0.00 N ATOM 1225 CA THR B 5 1.913 -8.843 -14.000 1.00 0.00 C ATOM 1226 C THR B 5 3.057 -8.856 -12.983 1.00 0.00 C ATOM 1227 O THR B 5 2.850 -8.380 -11.857 1.00 0.00 O ATOM 1228 CB THR B 5 1.509 -10.239 -14.477 1.00 0.00 C ATOM 1229 OG1 THR B 5 0.107 -10.133 -14.712 1.00 0.00 O ATOM 1230 CG2 THR B 5 1.621 -11.291 -13.371 1.00 0.00 C ATOM 0 H THR B 5 2.432 -8.595 -16.009 1.00 0.00 H new ATOM 0 HA THR B 5 1.050 -8.411 -13.494 1.00 0.00 H new ATOM 0 HB THR B 5 2.136 -10.530 -15.320 1.00 0.00 H new ATOM 0 HG1 THR B 5 -0.238 -10.995 -15.026 1.00 0.00 H new ATOM 0 HG21 THR B 5 1.323 -12.264 -13.762 1.00 0.00 H new ATOM 0 HG22 THR B 5 2.652 -11.342 -13.020 1.00 0.00 H new ATOM 0 HG23 THR B 5 0.968 -11.018 -12.542 1.00 0.00 H new ATOM 1238 N VAL B 6 4.221 -9.391 -13.394 1.00 0.00 N ATOM 1239 CA VAL B 6 5.384 -9.464 -12.525 1.00 0.00 C ATOM 1240 C VAL B 6 5.535 -8.141 -11.771 1.00 0.00 C ATOM 1241 O VAL B 6 5.787 -8.178 -10.558 1.00 0.00 O ATOM 1242 CB VAL B 6 6.623 -9.833 -13.341 1.00 0.00 C ATOM 1243 CG1 VAL B 6 6.645 -11.329 -13.659 1.00 0.00 C ATOM 1244 CG2 VAL B 6 6.706 -8.999 -14.620 1.00 0.00 C ATOM 0 H VAL B 6 4.370 -9.777 -14.326 1.00 0.00 H new ATOM 0 HA VAL B 6 5.257 -10.249 -11.780 1.00 0.00 H new ATOM 0 HB VAL B 6 7.501 -9.607 -12.737 1.00 0.00 H new ATOM 0 HG11 VAL B 6 7.537 -11.564 -14.240 1.00 0.00 H new ATOM 0 HG12 VAL B 6 6.657 -11.898 -12.730 1.00 0.00 H new ATOM 0 HG13 VAL B 6 5.757 -11.592 -14.234 1.00 0.00 H new ATOM 0 HG21 VAL B 6 7.596 -9.282 -15.182 1.00 0.00 H new ATOM 0 HG22 VAL B 6 5.820 -9.179 -15.230 1.00 0.00 H new ATOM 0 HG23 VAL B 6 6.760 -7.941 -14.362 1.00 0.00 H new ATOM 1254 N SER B 7 5.381 -7.016 -12.493 1.00 0.00 N ATOM 1255 CA SER B 7 5.500 -5.696 -11.897 1.00 0.00 C ATOM 1256 C SER B 7 4.573 -5.603 -10.684 1.00 0.00 C ATOM 1257 O SER B 7 5.075 -5.376 -9.573 1.00 0.00 O ATOM 1258 CB SER B 7 5.167 -4.594 -12.904 1.00 0.00 C ATOM 1259 OG SER B 7 5.345 -3.294 -12.351 1.00 0.00 O ATOM 0 H SER B 7 5.174 -7.007 -13.492 1.00 0.00 H new ATOM 0 HA SER B 7 6.534 -5.551 -11.583 1.00 0.00 H new ATOM 0 HB2 SER B 7 5.801 -4.703 -13.784 1.00 0.00 H new ATOM 0 HB3 SER B 7 4.136 -4.708 -13.238 1.00 0.00 H new ATOM 0 HG SER B 7 6.015 -2.805 -12.873 1.00 0.00 H new ATOM 1265 N SER B 8 3.259 -5.779 -10.915 1.00 0.00 N ATOM 1266 CA SER B 8 2.274 -5.716 -9.848 1.00 0.00 C ATOM 1267 C SER B 8 2.737 -6.589 -8.680 1.00 0.00 C ATOM 1268 O SER B 8 2.514 -6.197 -7.525 1.00 0.00 O ATOM 1269 CB SER B 8 0.894 -6.166 -10.332 1.00 0.00 C ATOM 1270 OG SER B 8 -0.096 -5.164 -10.123 1.00 0.00 O ATOM 0 H SER B 8 2.866 -5.966 -11.837 1.00 0.00 H new ATOM 0 HA SER B 8 2.185 -4.680 -9.521 1.00 0.00 H new ATOM 0 HB2 SER B 8 0.944 -6.411 -11.393 1.00 0.00 H new ATOM 0 HB3 SER B 8 0.605 -7.077 -9.808 1.00 0.00 H new ATOM 0 HG SER B 8 0.176 -4.585 -9.380 1.00 0.00 H new ATOM 1276 N PHE B 9 3.363 -7.738 -8.997 1.00 0.00 N ATOM 1277 CA PHE B 9 3.851 -8.654 -7.981 1.00 0.00 C ATOM 1278 C PHE B 9 4.854 -7.927 -7.083 1.00 0.00 C ATOM 1279 O PHE B 9 4.642 -7.903 -5.862 1.00 0.00 O ATOM 1280 CB PHE B 9 4.510 -9.867 -8.667 1.00 0.00 C ATOM 1281 CG PHE B 9 3.974 -11.220 -8.216 1.00 0.00 C ATOM 1282 CD1 PHE B 9 2.685 -11.646 -8.613 1.00 0.00 C ATOM 1283 CD2 PHE B 9 4.763 -12.056 -7.393 1.00 0.00 C ATOM 1284 CE1 PHE B 9 2.190 -12.897 -8.191 1.00 0.00 C ATOM 1285 CE2 PHE B 9 4.267 -13.308 -6.971 1.00 0.00 C ATOM 1286 CZ PHE B 9 2.980 -13.729 -7.370 1.00 0.00 C ATOM 0 H PHE B 9 3.537 -8.043 -9.955 1.00 0.00 H new ATOM 0 HA PHE B 9 3.025 -9.007 -7.364 1.00 0.00 H new ATOM 0 HB2 PHE B 9 4.372 -9.777 -9.745 1.00 0.00 H new ATOM 0 HB3 PHE B 9 5.583 -9.835 -8.479 1.00 0.00 H new ATOM 0 HD1 PHE B 9 2.078 -11.011 -9.241 1.00 0.00 H new ATOM 0 HD2 PHE B 9 5.748 -11.736 -7.086 1.00 0.00 H new ATOM 0 HE1 PHE B 9 1.205 -13.219 -8.497 1.00 0.00 H new ATOM 0 HE2 PHE B 9 4.872 -13.944 -6.342 1.00 0.00 H new ATOM 0 HZ PHE B 9 2.600 -14.687 -7.047 1.00 0.00 H new ATOM 1296 N GLN B 10 5.907 -7.358 -7.695 1.00 0.00 N ATOM 1297 CA GLN B 10 6.931 -6.638 -6.955 1.00 0.00 C ATOM 1298 C GLN B 10 6.267 -5.575 -6.078 1.00 0.00 C ATOM 1299 O GLN B 10 6.436 -5.634 -4.851 1.00 0.00 O ATOM 1300 CB GLN B 10 7.963 -6.008 -7.893 1.00 0.00 C ATOM 1301 CG GLN B 10 8.999 -7.041 -8.340 1.00 0.00 C ATOM 1302 CD GLN B 10 9.054 -7.137 -9.866 1.00 0.00 C ATOM 1303 OE1 GLN B 10 8.811 -6.180 -10.583 1.00 0.00 O ATOM 1304 NE2 GLN B 10 9.386 -8.341 -10.322 1.00 0.00 N ATOM 0 H GLN B 10 6.062 -7.389 -8.703 1.00 0.00 H new ATOM 0 HA GLN B 10 7.467 -7.345 -6.321 1.00 0.00 H new ATOM 0 HB2 GLN B 10 7.460 -5.591 -8.765 1.00 0.00 H new ATOM 0 HB3 GLN B 10 8.463 -5.182 -7.388 1.00 0.00 H new ATOM 0 HG2 GLN B 10 9.981 -6.767 -7.954 1.00 0.00 H new ATOM 0 HG3 GLN B 10 8.751 -8.016 -7.919 1.00 0.00 H new ATOM 0 HE21 GLN B 10 9.577 -9.099 -9.667 1.00 0.00 H new ATOM 0 HE22 GLN B 10 9.450 -8.506 -11.327 1.00 0.00 H new ATOM 1313 N VAL B 11 5.537 -4.640 -6.712 1.00 0.00 N ATOM 1314 CA VAL B 11 4.856 -3.577 -5.994 1.00 0.00 C ATOM 1315 C VAL B 11 4.128 -4.169 -4.785 1.00 0.00 C ATOM 1316 O VAL B 11 4.497 -3.829 -3.651 1.00 0.00 O ATOM 1317 CB VAL B 11 3.923 -2.820 -6.942 1.00 0.00 C ATOM 1318 CG1 VAL B 11 2.782 -2.153 -6.169 1.00 0.00 C ATOM 1319 CG2 VAL B 11 4.698 -1.794 -7.769 1.00 0.00 C ATOM 0 H VAL B 11 5.411 -4.609 -7.724 1.00 0.00 H new ATOM 0 HA VAL B 11 5.575 -2.849 -5.617 1.00 0.00 H new ATOM 0 HB VAL B 11 3.485 -3.542 -7.631 1.00 0.00 H new ATOM 0 HG11 VAL B 11 2.133 -1.621 -6.865 1.00 0.00 H new ATOM 0 HG12 VAL B 11 2.205 -2.914 -5.644 1.00 0.00 H new ATOM 0 HG13 VAL B 11 3.195 -1.448 -5.447 1.00 0.00 H new ATOM 0 HG21 VAL B 11 4.012 -1.270 -8.434 1.00 0.00 H new ATOM 0 HG22 VAL B 11 5.177 -1.076 -7.103 1.00 0.00 H new ATOM 0 HG23 VAL B 11 5.459 -2.303 -8.360 1.00 0.00 H new ATOM 1329 N ASP B 12 3.126 -5.027 -5.046 1.00 0.00 N ATOM 1330 CA ASP B 12 2.356 -5.658 -3.987 1.00 0.00 C ATOM 1331 C ASP B 12 3.286 -5.992 -2.817 1.00 0.00 C ATOM 1332 O ASP B 12 3.031 -5.506 -1.705 1.00 0.00 O ATOM 1333 CB ASP B 12 1.718 -6.962 -4.471 1.00 0.00 C ATOM 1334 CG ASP B 12 0.391 -7.321 -3.800 1.00 0.00 C ATOM 1335 OD1 ASP B 12 0.213 -7.117 -2.590 1.00 0.00 O ATOM 1336 OD2 ASP B 12 -0.495 -7.836 -4.583 1.00 0.00 O ATOM 0 H ASP B 12 2.838 -5.293 -5.988 1.00 0.00 H new ATOM 0 HA ASP B 12 1.572 -4.965 -3.681 1.00 0.00 H new ATOM 0 HB2 ASP B 12 1.557 -6.892 -5.547 1.00 0.00 H new ATOM 0 HB3 ASP B 12 2.423 -7.777 -4.306 1.00 0.00 H new ATOM 1341 N CYS B 13 4.326 -6.801 -3.087 1.00 0.00 N ATOM 1342 CA CYS B 13 5.280 -7.194 -2.064 1.00 0.00 C ATOM 1343 C CYS B 13 5.687 -5.963 -1.252 1.00 0.00 C ATOM 1344 O CYS B 13 5.510 -5.981 -0.025 1.00 0.00 O ATOM 1345 CB CYS B 13 6.492 -7.896 -2.681 1.00 0.00 C ATOM 1346 SG CYS B 13 6.849 -9.541 -1.997 1.00 0.00 S ATOM 0 H CYS B 13 4.517 -7.190 -4.010 1.00 0.00 H new ATOM 0 HA CYS B 13 4.812 -7.913 -1.392 1.00 0.00 H new ATOM 0 HB2 CYS B 13 6.331 -7.991 -3.755 1.00 0.00 H new ATOM 0 HB3 CYS B 13 7.369 -7.263 -2.545 1.00 0.00 H new ATOM 0 HG CYS B 13 8.135 -9.724 -1.955 1.00 0.00 H new ATOM 1352 N PHE B 14 6.214 -4.934 -1.940 1.00 0.00 N ATOM 1353 CA PHE B 14 6.639 -3.708 -1.286 1.00 0.00 C ATOM 1354 C PHE B 14 5.524 -3.215 -0.362 1.00 0.00 C ATOM 1355 O PHE B 14 5.814 -2.923 0.808 1.00 0.00 O ATOM 1356 CB PHE B 14 6.969 -2.650 -2.357 1.00 0.00 C ATOM 1357 CG PHE B 14 7.514 -1.339 -1.807 1.00 0.00 C ATOM 1358 CD1 PHE B 14 8.859 -1.255 -1.378 1.00 0.00 C ATOM 1359 CD2 PHE B 14 6.682 -0.197 -1.729 1.00 0.00 C ATOM 1360 CE1 PHE B 14 9.366 -0.039 -0.873 1.00 0.00 C ATOM 1361 CE2 PHE B 14 7.192 1.018 -1.223 1.00 0.00 C ATOM 1362 CZ PHE B 14 8.534 1.097 -0.794 1.00 0.00 C ATOM 0 H PHE B 14 6.351 -4.939 -2.951 1.00 0.00 H new ATOM 0 HA PHE B 14 7.532 -3.890 -0.688 1.00 0.00 H new ATOM 0 HB2 PHE B 14 7.698 -3.069 -3.050 1.00 0.00 H new ATOM 0 HB3 PHE B 14 6.067 -2.440 -2.932 1.00 0.00 H new ATOM 0 HD1 PHE B 14 9.499 -2.123 -1.437 1.00 0.00 H new ATOM 0 HD2 PHE B 14 5.655 -0.255 -2.057 1.00 0.00 H new ATOM 0 HE1 PHE B 14 10.394 0.022 -0.546 1.00 0.00 H new ATOM 0 HE2 PHE B 14 6.555 1.888 -1.164 1.00 0.00 H new ATOM 0 HZ PHE B 14 8.924 2.026 -0.406 1.00 0.00 H new ATOM 1372 N LEU B 15 4.291 -3.133 -0.895 1.00 0.00 N ATOM 1373 CA LEU B 15 3.148 -2.680 -0.122 1.00 0.00 C ATOM 1374 C LEU B 15 3.073 -3.473 1.184 1.00 0.00 C ATOM 1375 O LEU B 15 2.771 -2.869 2.224 1.00 0.00 O ATOM 1376 CB LEU B 15 1.871 -2.756 -0.961 1.00 0.00 C ATOM 1377 CG LEU B 15 1.943 -2.120 -2.352 1.00 0.00 C ATOM 1378 CD1 LEU B 15 0.541 -1.869 -2.912 1.00 0.00 C ATOM 1379 CD2 LEU B 15 2.788 -0.846 -2.328 1.00 0.00 C ATOM 0 H LEU B 15 4.073 -3.378 -1.861 1.00 0.00 H new ATOM 0 HA LEU B 15 3.263 -1.630 0.149 1.00 0.00 H new ATOM 0 HB2 LEU B 15 1.598 -3.805 -1.077 1.00 0.00 H new ATOM 0 HB3 LEU B 15 1.066 -2.276 -0.405 1.00 0.00 H new ATOM 0 HG LEU B 15 2.437 -2.821 -3.024 1.00 0.00 H new ATOM 0 HD11 LEU B 15 0.620 -1.417 -3.901 1.00 0.00 H new ATOM 0 HD12 LEU B 15 0.005 -2.815 -2.987 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -0.001 -1.196 -2.247 1.00 0.00 H new ATOM 0 HD21 LEU B 15 2.823 -0.414 -3.328 1.00 0.00 H new ATOM 0 HD22 LEU B 15 2.345 -0.128 -1.638 1.00 0.00 H new ATOM 0 HD23 LEU B 15 3.800 -1.086 -2.001 1.00 0.00 H new ATOM 1391 N TRP B 16 3.346 -4.788 1.108 1.00 0.00 N ATOM 1392 CA TRP B 16 3.309 -5.650 2.276 1.00 0.00 C ATOM 1393 C TRP B 16 4.415 -5.233 3.247 1.00 0.00 C ATOM 1394 O TRP B 16 4.157 -5.209 4.459 1.00 0.00 O ATOM 1395 CB TRP B 16 3.407 -7.118 1.853 1.00 0.00 C ATOM 1396 CG TRP B 16 3.153 -8.110 2.989 1.00 0.00 C ATOM 1397 CD1 TRP B 16 2.020 -8.770 3.270 1.00 0.00 C ATOM 1398 CD2 TRP B 16 4.101 -8.532 3.992 1.00 0.00 C ATOM 1399 NE1 TRP B 16 2.169 -9.583 4.376 1.00 0.00 N ATOM 1400 CE2 TRP B 16 3.475 -9.433 4.828 1.00 0.00 C ATOM 1401 CE3 TRP B 16 5.444 -8.163 4.186 1.00 0.00 C ATOM 1402 CZ2 TRP B 16 4.114 -10.041 5.916 1.00 0.00 C ATOM 1403 CZ3 TRP B 16 6.068 -8.780 5.276 1.00 0.00 C ATOM 1404 CH2 TRP B 16 5.452 -9.689 6.128 1.00 0.00 C ATOM 0 H TRP B 16 3.594 -5.266 0.242 1.00 0.00 H new ATOM 0 HA TRP B 16 2.358 -5.542 2.798 1.00 0.00 H new ATOM 0 HB2 TRP B 16 2.689 -7.304 1.054 1.00 0.00 H new ATOM 0 HB3 TRP B 16 4.399 -7.301 1.439 1.00 0.00 H new ATOM 0 HD1 TRP B 16 1.106 -8.677 2.702 1.00 0.00 H new ATOM 0 HE1 TRP B 16 1.453 -10.183 4.786 1.00 0.00 H new ATOM 0 HE3 TRP B 16 5.953 -7.459 3.545 1.00 0.00 H new ATOM 0 HZ2 TRP B 16 3.602 -10.744 6.557 1.00 0.00 H new ATOM 0 HZ3 TRP B 16 7.101 -8.532 5.469 1.00 0.00 H new ATOM 0 HH2 TRP B 16 6.003 -10.122 6.950 1.00 0.00 H new ATOM 1415 N HIS B 17 5.606 -4.918 2.705 1.00 0.00 N ATOM 1416 CA HIS B 17 6.737 -4.508 3.519 1.00 0.00 C ATOM 1417 C HIS B 17 6.384 -3.218 4.262 1.00 0.00 C ATOM 1418 O HIS B 17 6.524 -3.189 5.493 1.00 0.00 O ATOM 1419 CB HIS B 17 8.003 -4.375 2.669 1.00 0.00 C ATOM 1420 CG HIS B 17 8.658 -5.693 2.333 1.00 0.00 C ATOM 1421 ND1 HIS B 17 8.237 -6.722 1.542 1.00 0.00 N flip ATOM 1422 CD2 HIS B 17 9.893 -6.065 2.834 1.00 0.00 C flip ATOM 1423 CE1 HIS B 17 9.165 -7.670 1.559 1.00 0.00 C flip ATOM 1424 NE2 HIS B 17 10.192 -7.265 2.360 1.00 0.00 N flip ATOM 0 H HIS B 17 5.798 -4.944 1.704 1.00 0.00 H new ATOM 0 HA HIS B 17 6.953 -5.274 4.264 1.00 0.00 H new ATOM 0 HB2 HIS B 17 7.753 -3.858 1.742 1.00 0.00 H new ATOM 0 HB3 HIS B 17 8.721 -3.749 3.200 1.00 0.00 H new ATOM 0 HD2 HIS B 17 10.508 -5.477 3.499 1.00 0.00 H new ATOM 0 HE1 HIS B 17 9.115 -8.608 1.026 1.00 0.00 H new ATOM 0 HE2 HIS B 17 11.041 -7.794 2.559 1.00 0.00 H new ATOM 1432 N VAL B 18 5.940 -2.193 3.512 1.00 0.00 N ATOM 1433 CA VAL B 18 5.571 -0.914 4.096 1.00 0.00 C ATOM 1434 C VAL B 18 4.462 -1.131 5.128 1.00 0.00 C ATOM 1435 O VAL B 18 4.446 -0.412 6.137 1.00 0.00 O ATOM 1436 CB VAL B 18 5.177 0.070 2.994 1.00 0.00 C ATOM 1437 CG1 VAL B 18 6.390 0.453 2.142 1.00 0.00 C ATOM 1438 CG2 VAL B 18 4.055 -0.501 2.124 1.00 0.00 C ATOM 0 H VAL B 18 5.832 -2.237 2.499 1.00 0.00 H new ATOM 0 HA VAL B 18 6.420 -0.473 4.618 1.00 0.00 H new ATOM 0 HB VAL B 18 4.803 0.976 3.472 1.00 0.00 H new ATOM 0 HG11 VAL B 18 6.083 1.154 1.366 1.00 0.00 H new ATOM 0 HG12 VAL B 18 7.146 0.920 2.774 1.00 0.00 H new ATOM 0 HG13 VAL B 18 6.807 -0.442 1.679 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.794 0.219 1.348 1.00 0.00 H new ATOM 0 HG22 VAL B 18 4.390 -1.429 1.660 1.00 0.00 H new ATOM 0 HG23 VAL B 18 3.180 -0.700 2.743 1.00 0.00 H new ATOM 1448 N ARG B 19 3.570 -2.102 4.859 1.00 0.00 N ATOM 1449 CA ARG B 19 2.470 -2.407 5.757 1.00 0.00 C ATOM 1450 C ARG B 19 3.027 -2.973 7.065 1.00 0.00 C ATOM 1451 O ARG B 19 2.668 -2.454 8.132 1.00 0.00 O ATOM 1452 CB ARG B 19 1.504 -3.422 5.141 1.00 0.00 C ATOM 1453 CG ARG B 19 0.416 -2.719 4.327 1.00 0.00 C ATOM 1454 CD ARG B 19 -0.742 -3.671 4.022 1.00 0.00 C ATOM 1455 NE ARG B 19 -1.424 -3.255 2.776 1.00 0.00 N ATOM 1456 CZ ARG B 19 -2.750 -3.385 2.558 1.00 0.00 C ATOM 1457 NH1 ARG B 19 -3.516 -3.922 3.519 1.00 0.00 N ATOM 1458 NH2 ARG B 19 -3.293 -2.984 1.401 1.00 0.00 N ATOM 0 H ARG B 19 3.600 -2.683 4.021 1.00 0.00 H new ATOM 0 HA ARG B 19 1.920 -1.484 5.943 1.00 0.00 H new ATOM 0 HB2 ARG B 19 2.055 -4.111 4.500 1.00 0.00 H new ATOM 0 HB3 ARG B 19 1.045 -4.018 5.930 1.00 0.00 H new ATOM 0 HG2 ARG B 19 0.045 -1.855 4.878 1.00 0.00 H new ATOM 0 HG3 ARG B 19 0.839 -2.345 3.395 1.00 0.00 H new ATOM 0 HD2 ARG B 19 -0.369 -4.690 3.919 1.00 0.00 H new ATOM 0 HD3 ARG B 19 -1.450 -3.673 4.851 1.00 0.00 H new ATOM 0 HE ARG B 19 -0.856 -2.844 2.035 1.00 0.00 H new ATOM 0 HH11 ARG B 19 -3.095 -4.225 4.397 1.00 0.00 H new ATOM 0 HH12 ARG B 19 -4.520 -4.028 3.372 1.00 0.00 H new ATOM 0 HH21 ARG B 19 -2.704 -2.576 0.675 1.00 0.00 H new ATOM 0 HH22 ARG B 19 -4.296 -3.086 1.246 1.00 0.00 H new ATOM 1472 N LYS B 20 3.878 -4.009 6.959 1.00 0.00 N ATOM 1473 CA LYS B 20 4.477 -4.637 8.124 1.00 0.00 C ATOM 1474 C LYS B 20 5.145 -3.565 8.989 1.00 0.00 C ATOM 1475 O LYS B 20 5.116 -3.699 10.220 1.00 0.00 O ATOM 1476 CB LYS B 20 5.422 -5.763 7.700 1.00 0.00 C ATOM 1477 CG LYS B 20 6.855 -5.473 8.149 1.00 0.00 C ATOM 1478 CD LYS B 20 7.042 -5.796 9.632 1.00 0.00 C ATOM 1479 CE LYS B 20 8.004 -4.806 10.292 1.00 0.00 C ATOM 1480 NZ LYS B 20 9.396 -5.260 10.136 1.00 0.00 N ATOM 0 H LYS B 20 4.160 -4.422 6.070 1.00 0.00 H new ATOM 0 HA LYS B 20 3.711 -5.111 8.738 1.00 0.00 H new ATOM 0 HB2 LYS B 20 5.086 -6.706 8.131 1.00 0.00 H new ATOM 0 HB3 LYS B 20 5.393 -5.879 6.617 1.00 0.00 H new ATOM 0 HG2 LYS B 20 7.552 -6.063 7.554 1.00 0.00 H new ATOM 0 HG3 LYS B 20 7.091 -4.424 7.969 1.00 0.00 H new ATOM 0 HD2 LYS B 20 6.078 -5.764 10.139 1.00 0.00 H new ATOM 0 HD3 LYS B 20 7.427 -6.810 9.741 1.00 0.00 H new ATOM 0 HE2 LYS B 20 7.884 -3.820 9.844 1.00 0.00 H new ATOM 0 HE3 LYS B 20 7.764 -4.707 11.351 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 10.037 -4.577 10.589 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 9.510 -6.192 10.584 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 9.626 -5.332 9.124 1.00 0.00 H new ATOM 1494 N GLN B 21 5.723 -2.540 8.336 1.00 0.00 N ATOM 1495 CA GLN B 21 6.391 -1.458 9.041 1.00 0.00 C ATOM 1496 C GLN B 21 5.342 -0.554 9.690 1.00 0.00 C ATOM 1497 O GLN B 21 5.617 -0.013 10.771 1.00 0.00 O ATOM 1498 CB GLN B 21 7.303 -0.660 8.108 1.00 0.00 C ATOM 1499 CG GLN B 21 8.627 -0.319 8.795 1.00 0.00 C ATOM 1500 CD GLN B 21 9.651 -1.439 8.599 1.00 0.00 C ATOM 1501 OE1 GLN B 21 9.119 -2.597 8.220 1.00 0.00 O flip ATOM 1502 NE2 GLN B 21 10.845 -1.262 8.779 1.00 0.00 N flip ATOM 0 H GLN B 21 5.735 -2.449 7.320 1.00 0.00 H new ATOM 0 HA GLN B 21 7.026 -1.885 9.817 1.00 0.00 H new ATOM 0 HB2 GLN B 21 7.497 -1.236 7.203 1.00 0.00 H new ATOM 0 HB3 GLN B 21 6.802 0.258 7.801 1.00 0.00 H new ATOM 0 HG2 GLN B 21 9.021 0.614 8.391 1.00 0.00 H new ATOM 0 HG3 GLN B 21 8.458 -0.159 9.860 1.00 0.00 H new ATOM 0 HE21 GLN B 21 11.187 -0.346 9.070 1.00 0.00 H new ATOM 0 HE22 GLN B 21 11.501 -2.030 8.638 1.00 0.00 H new ATOM 1511 N VAL B 22 4.178 -0.411 9.029 1.00 0.00 N ATOM 1512 CA VAL B 22 3.101 0.421 9.538 1.00 0.00 C ATOM 1513 C VAL B 22 2.611 -0.148 10.871 1.00 0.00 C ATOM 1514 O VAL B 22 2.578 0.604 11.857 1.00 0.00 O ATOM 1515 CB VAL B 22 1.990 0.535 8.493 1.00 0.00 C ATOM 1516 CG1 VAL B 22 0.611 0.526 9.156 1.00 0.00 C ATOM 1517 CG2 VAL B 22 2.176 1.785 7.630 1.00 0.00 C ATOM 0 H VAL B 22 3.971 -0.867 8.140 1.00 0.00 H new ATOM 0 HA VAL B 22 3.457 1.434 9.727 1.00 0.00 H new ATOM 0 HB VAL B 22 2.053 -0.335 7.840 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -0.161 0.608 8.391 1.00 0.00 H new ATOM 0 HG12 VAL B 22 0.478 -0.405 9.707 1.00 0.00 H new ATOM 0 HG13 VAL B 22 0.532 1.369 9.843 1.00 0.00 H new ATOM 0 HG21 VAL B 22 1.373 1.843 6.895 1.00 0.00 H new ATOM 0 HG22 VAL B 22 2.152 2.672 8.264 1.00 0.00 H new ATOM 0 HG23 VAL B 22 3.136 1.733 7.116 1.00 0.00 H new ATOM 1527 N VAL B 23 2.246 -1.442 10.876 1.00 0.00 N ATOM 1528 CA VAL B 23 1.763 -2.101 12.077 1.00 0.00 C ATOM 1529 C VAL B 23 2.891 -2.163 13.110 1.00 0.00 C ATOM 1530 O VAL B 23 2.610 -1.976 14.302 1.00 0.00 O ATOM 1531 CB VAL B 23 1.197 -3.479 11.728 1.00 0.00 C ATOM 1532 CG1 VAL B 23 0.293 -4.001 12.846 1.00 0.00 C ATOM 1533 CG2 VAL B 23 0.453 -3.442 10.391 1.00 0.00 C ATOM 0 H VAL B 23 2.281 -2.044 10.053 1.00 0.00 H new ATOM 0 HA VAL B 23 0.946 -1.532 12.521 1.00 0.00 H new ATOM 0 HB VAL B 23 2.034 -4.170 11.627 1.00 0.00 H new ATOM 0 HG11 VAL B 23 -0.096 -4.982 12.572 1.00 0.00 H new ATOM 0 HG12 VAL B 23 0.867 -4.083 13.769 1.00 0.00 H new ATOM 0 HG13 VAL B 23 -0.537 -3.311 12.995 1.00 0.00 H new ATOM 0 HG21 VAL B 23 0.060 -4.433 10.166 1.00 0.00 H new ATOM 0 HG22 VAL B 23 -0.371 -2.731 10.453 1.00 0.00 H new ATOM 0 HG23 VAL B 23 1.139 -3.135 9.601 1.00 0.00 H new ATOM 1543 N ASP B 24 4.124 -2.420 12.639 1.00 0.00 N ATOM 1544 CA ASP B 24 5.280 -2.504 13.514 1.00 0.00 C ATOM 1545 C ASP B 24 5.630 -1.105 14.027 1.00 0.00 C ATOM 1546 O ASP B 24 6.715 -0.942 14.605 1.00 0.00 O ATOM 1547 CB ASP B 24 6.499 -3.050 12.767 1.00 0.00 C ATOM 1548 CG ASP B 24 7.757 -3.223 13.619 1.00 0.00 C ATOM 1549 OD1 ASP B 24 7.919 -4.232 14.322 1.00 0.00 O ATOM 1550 OD2 ASP B 24 8.605 -2.253 13.543 1.00 0.00 O ATOM 0 H ASP B 24 4.334 -2.572 11.652 1.00 0.00 H new ATOM 0 HA ASP B 24 5.030 -3.174 14.337 1.00 0.00 H new ATOM 0 HB2 ASP B 24 6.238 -4.015 12.333 1.00 0.00 H new ATOM 0 HB3 ASP B 24 6.729 -2.379 11.939 1.00 0.00 H new ATOM 1555 N GLN B 25 4.718 -0.140 13.812 1.00 0.00 N ATOM 1556 CA GLN B 25 4.929 1.229 14.250 1.00 0.00 C ATOM 1557 C GLN B 25 3.786 1.644 15.179 1.00 0.00 C ATOM 1558 O GLN B 25 3.539 2.852 15.308 1.00 0.00 O ATOM 1559 CB GLN B 25 5.045 2.187 13.063 1.00 0.00 C ATOM 1560 CG GLN B 25 6.506 2.380 12.655 1.00 0.00 C ATOM 1561 CD GLN B 25 6.849 3.866 12.527 1.00 0.00 C ATOM 1562 OE1 GLN B 25 6.006 4.702 12.244 1.00 0.00 O ATOM 1563 NE2 GLN B 25 8.129 4.148 12.751 1.00 0.00 N ATOM 0 H GLN B 25 3.830 -0.295 13.335 1.00 0.00 H new ATOM 0 HA GLN B 25 5.872 1.281 14.794 1.00 0.00 H new ATOM 0 HB2 GLN B 25 4.477 1.796 12.219 1.00 0.00 H new ATOM 0 HB3 GLN B 25 4.606 3.150 13.324 1.00 0.00 H new ATOM 0 HG2 GLN B 25 7.158 1.915 13.395 1.00 0.00 H new ATOM 0 HG3 GLN B 25 6.691 1.877 11.706 1.00 0.00 H new ATOM 0 HE21 GLN B 25 8.783 3.400 12.984 1.00 0.00 H new ATOM 0 HE22 GLN B 25 8.457 5.112 12.690 1.00 0.00 H new ATOM 1572 N GLU B 26 3.122 0.651 15.798 1.00 0.00 N ATOM 1573 CA GLU B 26 2.018 0.912 16.707 1.00 0.00 C ATOM 1574 C GLU B 26 1.236 2.130 16.214 1.00 0.00 C ATOM 1575 O GLU B 26 0.848 2.959 17.049 1.00 0.00 O ATOM 1576 CB GLU B 26 2.507 1.117 18.142 1.00 0.00 C ATOM 1577 CG GLU B 26 2.970 2.559 18.362 1.00 0.00 C ATOM 1578 CD GLU B 26 4.257 2.601 19.187 1.00 0.00 C ATOM 1579 OE1 GLU B 26 4.314 1.750 20.154 1.00 0.00 O ATOM 1580 OE2 GLU B 26 5.148 3.416 18.904 1.00 0.00 O ATOM 0 H GLU B 26 3.340 -0.338 15.677 1.00 0.00 H new ATOM 0 HA GLU B 26 1.361 0.043 16.718 1.00 0.00 H new ATOM 0 HB2 GLU B 26 1.706 0.878 18.841 1.00 0.00 H new ATOM 0 HB3 GLU B 26 3.328 0.431 18.352 1.00 0.00 H new ATOM 0 HG2 GLU B 26 3.135 3.043 17.399 1.00 0.00 H new ATOM 0 HG3 GLU B 26 2.188 3.122 18.872 1.00 0.00 H new ATOM 1587 N LEU B 27 1.022 2.214 14.888 1.00 0.00 N ATOM 1588 CA LEU B 27 0.293 3.321 14.294 1.00 0.00 C ATOM 1589 C LEU B 27 -1.052 2.816 13.767 1.00 0.00 C ATOM 1590 O LEU B 27 -1.958 3.640 13.574 1.00 0.00 O ATOM 1591 CB LEU B 27 1.146 4.017 13.232 1.00 0.00 C ATOM 1592 CG LEU B 27 1.173 3.356 11.852 1.00 0.00 C ATOM 1593 CD1 LEU B 27 -0.028 3.793 11.012 1.00 0.00 C ATOM 1594 CD2 LEU B 27 2.500 3.625 11.141 1.00 0.00 C ATOM 0 H LEU B 27 1.350 1.520 14.216 1.00 0.00 H new ATOM 0 HA LEU B 27 0.078 4.081 15.045 1.00 0.00 H new ATOM 0 HB2 LEU B 27 0.784 5.039 13.116 1.00 0.00 H new ATOM 0 HB3 LEU B 27 2.169 4.082 13.602 1.00 0.00 H new ATOM 0 HG LEU B 27 1.095 2.277 11.988 1.00 0.00 H new ATOM 0 HD11 LEU B 27 0.015 3.309 10.036 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -0.950 3.507 11.519 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -0.006 4.875 10.882 1.00 0.00 H new ATOM 0 HD21 LEU B 27 2.493 3.144 10.163 1.00 0.00 H new ATOM 0 HD22 LEU B 27 2.635 4.699 11.016 1.00 0.00 H new ATOM 0 HD23 LEU B 27 3.320 3.223 11.737 1.00 0.00 H new ATOM 1606 N GLY B 28 -1.154 1.493 13.548 1.00 0.00 N ATOM 1607 CA GLY B 28 -2.378 0.887 13.048 1.00 0.00 C ATOM 1608 C GLY B 28 -3.484 1.049 14.092 1.00 0.00 C ATOM 1609 O GLY B 28 -3.307 1.851 15.020 1.00 0.00 O ATOM 0 H GLY B 28 -0.396 0.831 13.713 1.00 0.00 H new ATOM 0 HA2 GLY B 28 -2.674 1.358 12.111 1.00 0.00 H new ATOM 0 HA3 GLY B 28 -2.214 -0.169 12.836 1.00 0.00 H new ATOM 1613 N ASP B 29 -4.586 0.297 13.922 1.00 0.00 N ATOM 1614 CA ASP B 29 -5.709 0.357 14.843 1.00 0.00 C ATOM 1615 C ASP B 29 -6.227 -1.059 15.102 1.00 0.00 C ATOM 1616 O ASP B 29 -6.562 -1.362 16.256 1.00 0.00 O ATOM 1617 CB ASP B 29 -6.858 1.181 14.256 1.00 0.00 C ATOM 1618 CG ASP B 29 -8.209 0.989 14.948 1.00 0.00 C ATOM 1619 OD1 ASP B 29 -8.323 1.121 16.176 1.00 0.00 O ATOM 1620 OD2 ASP B 29 -9.186 0.687 14.162 1.00 0.00 O ATOM 0 H ASP B 29 -4.712 -0.357 13.150 1.00 0.00 H new ATOM 0 HA ASP B 29 -5.364 0.824 15.766 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -6.589 2.236 14.303 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -6.967 0.926 13.202 1.00 0.00 H new ATOM 1625 N ALA B 30 -6.280 -1.884 14.042 1.00 0.00 N ATOM 1626 CA ALA B 30 -6.753 -3.253 14.155 1.00 0.00 C ATOM 1627 C ALA B 30 -6.952 -3.837 12.755 1.00 0.00 C ATOM 1628 O ALA B 30 -6.619 -5.014 12.553 1.00 0.00 O ATOM 1629 CB ALA B 30 -8.128 -3.270 14.826 1.00 0.00 C ATOM 0 H ALA B 30 -5.998 -1.615 13.100 1.00 0.00 H new ATOM 0 HA ALA B 30 -6.023 -3.823 14.730 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -8.480 -4.298 14.909 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -8.053 -2.831 15.821 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -8.832 -2.693 14.227 1.00 0.00 H new ATOM 1635 N PRO B 31 -7.483 -3.017 11.831 1.00 0.00 N ATOM 1636 CA PRO B 31 -7.735 -3.415 10.456 1.00 0.00 C ATOM 1637 C PRO B 31 -6.433 -3.484 9.656 1.00 0.00 C ATOM 1638 O PRO B 31 -6.421 -4.140 8.605 1.00 0.00 O ATOM 1639 CB PRO B 31 -8.709 -2.378 9.919 1.00 0.00 C ATOM 1640 CG PRO B 31 -8.604 -1.184 10.855 1.00 0.00 C ATOM 1641 CD PRO B 31 -7.864 -1.634 12.104 1.00 0.00 C ATOM 0 HA PRO B 31 -8.157 -4.417 10.379 1.00 0.00 H new ATOM 0 HB2 PRO B 31 -8.456 -2.097 8.897 1.00 0.00 H new ATOM 0 HB3 PRO B 31 -9.726 -2.770 9.899 1.00 0.00 H new ATOM 0 HG2 PRO B 31 -8.072 -0.365 10.371 1.00 0.00 H new ATOM 0 HG3 PRO B 31 -9.596 -0.812 11.112 1.00 0.00 H new ATOM 0 HD2 PRO B 31 -6.989 -1.012 12.292 1.00 0.00 H new ATOM 0 HD3 PRO B 31 -8.499 -1.565 12.987 1.00 0.00 H new ATOM 1649 N PHE B 32 -5.381 -2.814 10.161 1.00 0.00 N ATOM 1650 CA PHE B 32 -4.088 -2.800 9.497 1.00 0.00 C ATOM 1651 C PHE B 32 -3.410 -4.159 9.682 1.00 0.00 C ATOM 1652 O PHE B 32 -2.848 -4.674 8.705 1.00 0.00 O ATOM 1653 CB PHE B 32 -3.225 -1.672 10.095 1.00 0.00 C ATOM 1654 CG PHE B 32 -3.228 -0.378 9.292 1.00 0.00 C ATOM 1655 CD1 PHE B 32 -4.203 -0.160 8.292 1.00 0.00 C ATOM 1656 CD2 PHE B 32 -2.248 0.612 9.541 1.00 0.00 C ATOM 1657 CE1 PHE B 32 -4.199 1.040 7.547 1.00 0.00 C ATOM 1658 CE2 PHE B 32 -2.246 1.811 8.796 1.00 0.00 C ATOM 1659 CZ PHE B 32 -3.222 2.025 7.800 1.00 0.00 C ATOM 0 H PHE B 32 -5.413 -2.278 11.028 1.00 0.00 H new ATOM 0 HA PHE B 32 -4.214 -2.617 8.430 1.00 0.00 H new ATOM 0 HB2 PHE B 32 -3.578 -1.459 11.104 1.00 0.00 H new ATOM 0 HB3 PHE B 32 -2.198 -2.026 10.184 1.00 0.00 H new ATOM 0 HD1 PHE B 32 -4.953 -0.913 8.097 1.00 0.00 H new ATOM 0 HD2 PHE B 32 -1.500 0.450 10.303 1.00 0.00 H new ATOM 0 HE1 PHE B 32 -4.945 1.203 6.783 1.00 0.00 H new ATOM 0 HE2 PHE B 32 -1.497 2.565 8.989 1.00 0.00 H new ATOM 0 HZ PHE B 32 -3.221 2.943 7.231 1.00 0.00 H new ATOM 1669 N LEU B 33 -3.475 -4.703 10.911 1.00 0.00 N ATOM 1670 CA LEU B 33 -2.872 -5.989 11.216 1.00 0.00 C ATOM 1671 C LEU B 33 -3.730 -7.105 10.618 1.00 0.00 C ATOM 1672 O LEU B 33 -3.159 -8.064 10.079 1.00 0.00 O ATOM 1673 CB LEU B 33 -2.644 -6.129 12.723 1.00 0.00 C ATOM 1674 CG LEU B 33 -1.876 -7.373 13.172 1.00 0.00 C ATOM 1675 CD1 LEU B 33 -0.777 -7.731 12.171 1.00 0.00 C ATOM 1676 CD2 LEU B 33 -1.326 -7.197 14.589 1.00 0.00 C ATOM 0 H LEU B 33 -3.943 -4.261 11.703 1.00 0.00 H new ATOM 0 HA LEU B 33 -1.886 -6.065 10.758 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -2.105 -5.248 13.072 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -3.615 -6.127 13.219 1.00 0.00 H new ATOM 0 HG LEU B 33 -2.572 -8.212 13.199 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -0.247 -8.619 12.515 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -1.223 -7.929 11.196 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -0.077 -6.900 12.087 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -0.784 -8.096 14.883 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -0.650 -6.342 14.613 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -2.151 -7.027 15.281 1.00 0.00 H new ATOM 1688 N ASP B 34 -5.064 -6.962 10.724 1.00 0.00 N ATOM 1689 CA ASP B 34 -5.989 -7.950 10.197 1.00 0.00 C ATOM 1690 C ASP B 34 -5.777 -8.087 8.688 1.00 0.00 C ATOM 1691 O ASP B 34 -5.510 -9.208 8.229 1.00 0.00 O ATOM 1692 CB ASP B 34 -7.440 -7.529 10.435 1.00 0.00 C ATOM 1693 CG ASP B 34 -7.886 -7.538 11.899 1.00 0.00 C ATOM 1694 OD1 ASP B 34 -6.927 -7.606 12.759 1.00 0.00 O ATOM 1695 OD2 ASP B 34 -9.086 -7.483 12.202 1.00 0.00 O ATOM 0 H ASP B 34 -5.514 -6.165 11.173 1.00 0.00 H new ATOM 0 HA ASP B 34 -5.800 -8.894 10.707 1.00 0.00 H new ATOM 0 HB2 ASP B 34 -7.581 -6.525 10.034 1.00 0.00 H new ATOM 0 HB3 ASP B 34 -8.093 -8.193 9.868 1.00 0.00 H new ATOM 1700 N ARG B 35 -5.899 -6.965 7.959 1.00 0.00 N ATOM 1701 CA ARG B 35 -5.722 -6.960 6.516 1.00 0.00 C ATOM 1702 C ARG B 35 -4.325 -7.482 6.177 1.00 0.00 C ATOM 1703 O ARG B 35 -4.219 -8.366 5.315 1.00 0.00 O ATOM 1704 CB ARG B 35 -5.892 -5.557 5.932 1.00 0.00 C ATOM 1705 CG ARG B 35 -7.363 -5.259 5.635 1.00 0.00 C ATOM 1706 CD ARG B 35 -7.702 -3.801 5.953 1.00 0.00 C ATOM 1707 NE ARG B 35 -6.545 -2.933 5.642 1.00 0.00 N ATOM 1708 CZ ARG B 35 -6.635 -1.761 4.978 1.00 0.00 C ATOM 1709 NH1 ARG B 35 -7.837 -1.339 4.565 1.00 0.00 N ATOM 1710 NH2 ARG B 35 -5.538 -1.031 4.735 1.00 0.00 N ATOM 0 H ARG B 35 -6.120 -6.052 8.357 1.00 0.00 H new ATOM 0 HA ARG B 35 -6.486 -7.603 6.079 1.00 0.00 H new ATOM 0 HB2 ARG B 35 -5.502 -4.818 6.632 1.00 0.00 H new ATOM 0 HB3 ARG B 35 -5.307 -5.467 5.016 1.00 0.00 H new ATOM 0 HG2 ARG B 35 -7.575 -5.465 4.586 1.00 0.00 H new ATOM 0 HG3 ARG B 35 -7.998 -5.921 6.224 1.00 0.00 H new ATOM 0 HD2 ARG B 35 -8.570 -3.486 5.373 1.00 0.00 H new ATOM 0 HD3 ARG B 35 -7.969 -3.702 7.005 1.00 0.00 H new ATOM 0 HE ARG B 35 -5.622 -3.239 5.948 1.00 0.00 H new ATOM 0 HH11 ARG B 35 -8.667 -1.901 4.753 1.00 0.00 H new ATOM 0 HH12 ARG B 35 -7.922 -0.456 4.062 1.00 0.00 H new ATOM 0 HH21 ARG B 35 -4.626 -1.360 5.052 1.00 0.00 H new ATOM 0 HH22 ARG B 35 -5.615 -0.147 4.233 1.00 0.00 H new ATOM 1724 N LEU B 36 -3.297 -6.932 6.848 1.00 0.00 N ATOM 1725 CA LEU B 36 -1.922 -7.340 6.619 1.00 0.00 C ATOM 1726 C LEU B 36 -1.802 -8.853 6.816 1.00 0.00 C ATOM 1727 O LEU B 36 -1.065 -9.491 6.050 1.00 0.00 O ATOM 1728 CB LEU B 36 -0.968 -6.528 7.499 1.00 0.00 C ATOM 1729 CG LEU B 36 0.469 -7.045 7.584 1.00 0.00 C ATOM 1730 CD1 LEU B 36 1.090 -7.170 6.193 1.00 0.00 C ATOM 1731 CD2 LEU B 36 1.313 -6.168 8.512 1.00 0.00 C ATOM 0 H LEU B 36 -3.405 -6.203 7.553 1.00 0.00 H new ATOM 0 HA LEU B 36 -1.629 -7.128 5.591 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -0.943 -5.504 7.125 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -1.380 -6.490 8.508 1.00 0.00 H new ATOM 0 HG LEU B 36 0.447 -8.045 8.017 1.00 0.00 H new ATOM 0 HD11 LEU B 36 2.112 -7.540 6.282 1.00 0.00 H new ATOM 0 HD12 LEU B 36 0.503 -7.866 5.594 1.00 0.00 H new ATOM 0 HD13 LEU B 36 1.099 -6.193 5.709 1.00 0.00 H new ATOM 0 HD21 LEU B 36 2.330 -6.557 8.555 1.00 0.00 H new ATOM 0 HD22 LEU B 36 1.331 -5.147 8.131 1.00 0.00 H new ATOM 0 HD23 LEU B 36 0.880 -6.174 9.512 1.00 0.00 H new ATOM 1743 N ARG B 37 -2.517 -9.387 7.822 1.00 0.00 N ATOM 1744 CA ARG B 37 -2.492 -10.810 8.115 1.00 0.00 C ATOM 1745 C ARG B 37 -3.004 -11.586 6.899 1.00 0.00 C ATOM 1746 O ARG B 37 -2.265 -12.443 6.393 1.00 0.00 O ATOM 1747 CB ARG B 37 -3.356 -11.152 9.330 1.00 0.00 C ATOM 1748 CG ARG B 37 -2.528 -11.848 10.413 1.00 0.00 C ATOM 1749 CD ARG B 37 -3.219 -11.755 11.775 1.00 0.00 C ATOM 1750 NE ARG B 37 -4.185 -12.865 11.930 1.00 0.00 N ATOM 1751 CZ ARG B 37 -5.393 -12.740 12.519 1.00 0.00 C ATOM 1752 NH1 ARG B 37 -5.760 -11.545 13.002 1.00 0.00 N ATOM 1753 NH2 ARG B 37 -6.213 -13.796 12.621 1.00 0.00 N ATOM 0 H ARG B 37 -3.118 -8.843 8.441 1.00 0.00 H new ATOM 0 HA ARG B 37 -1.463 -11.089 8.341 1.00 0.00 H new ATOM 0 HB2 ARG B 37 -3.798 -10.241 9.734 1.00 0.00 H new ATOM 0 HB3 ARG B 37 -4.179 -11.798 9.025 1.00 0.00 H new ATOM 0 HG2 ARG B 37 -2.380 -12.895 10.147 1.00 0.00 H new ATOM 0 HG3 ARG B 37 -1.540 -11.391 10.470 1.00 0.00 H new ATOM 0 HD2 ARG B 37 -2.476 -11.794 12.572 1.00 0.00 H new ATOM 0 HD3 ARG B 37 -3.734 -10.799 11.866 1.00 0.00 H new ATOM 0 HE ARG B 37 -3.922 -13.782 11.569 1.00 0.00 H new ATOM 0 HH11 ARG B 37 -5.130 -10.747 12.922 1.00 0.00 H new ATOM 0 HH12 ARG B 37 -6.670 -11.433 13.450 1.00 0.00 H new ATOM 0 HH21 ARG B 37 -5.926 -14.702 12.252 1.00 0.00 H new ATOM 0 HH22 ARG B 37 -7.124 -13.693 13.068 1.00 0.00 H new ATOM 1767 N ARG B 38 -4.237 -11.274 6.462 1.00 0.00 N ATOM 1768 CA ARG B 38 -4.838 -11.937 5.317 1.00 0.00 C ATOM 1769 C ARG B 38 -3.971 -11.695 4.080 1.00 0.00 C ATOM 1770 O ARG B 38 -3.962 -12.558 3.189 1.00 0.00 O ATOM 1771 CB ARG B 38 -6.254 -11.422 5.048 1.00 0.00 C ATOM 1772 CG ARG B 38 -7.142 -11.589 6.283 1.00 0.00 C ATOM 1773 CD ARG B 38 -8.596 -11.848 5.881 1.00 0.00 C ATOM 1774 NE ARG B 38 -8.976 -13.237 6.221 1.00 0.00 N ATOM 1775 CZ ARG B 38 -10.244 -13.643 6.443 1.00 0.00 C ATOM 1776 NH1 ARG B 38 -11.237 -12.747 6.354 1.00 0.00 N ATOM 1777 NH2 ARG B 38 -10.506 -14.921 6.747 1.00 0.00 N ATOM 0 H ARG B 38 -4.829 -10.564 6.893 1.00 0.00 H new ATOM 0 HA ARG B 38 -4.900 -13.003 5.537 1.00 0.00 H new ATOM 0 HB2 ARG B 38 -6.214 -10.371 4.764 1.00 0.00 H new ATOM 0 HB3 ARG B 38 -6.688 -11.963 4.208 1.00 0.00 H new ATOM 0 HG2 ARG B 38 -6.776 -12.417 6.890 1.00 0.00 H new ATOM 0 HG3 ARG B 38 -7.086 -10.692 6.900 1.00 0.00 H new ATOM 0 HD2 ARG B 38 -9.254 -11.146 6.394 1.00 0.00 H new ATOM 0 HD3 ARG B 38 -8.722 -11.679 4.811 1.00 0.00 H new ATOM 0 HE ARG B 38 -8.233 -13.932 6.292 1.00 0.00 H new ATOM 0 HH11 ARG B 38 -11.028 -11.776 6.122 1.00 0.00 H new ATOM 0 HH12 ARG B 38 -12.201 -13.036 6.519 1.00 0.00 H new ATOM 0 HH21 ARG B 38 -9.744 -15.596 6.812 1.00 0.00 H new ATOM 0 HH22 ARG B 38 -11.467 -15.219 6.913 1.00 0.00 H new ATOM 1791 N ASP B 39 -3.272 -10.547 4.049 1.00 0.00 N ATOM 1792 CA ASP B 39 -2.413 -10.199 2.932 1.00 0.00 C ATOM 1793 C ASP B 39 -1.187 -11.115 2.932 1.00 0.00 C ATOM 1794 O ASP B 39 -0.717 -11.474 1.842 1.00 0.00 O ATOM 1795 CB ASP B 39 -1.922 -8.754 3.043 1.00 0.00 C ATOM 1796 CG ASP B 39 -1.713 -8.037 1.707 1.00 0.00 C ATOM 1797 OD1 ASP B 39 -2.635 -7.939 0.884 1.00 0.00 O ATOM 1798 OD2 ASP B 39 -0.528 -7.562 1.523 1.00 0.00 O ATOM 0 H ASP B 39 -3.294 -9.850 4.793 1.00 0.00 H new ATOM 0 HA ASP B 39 -2.990 -10.314 2.015 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -2.641 -8.186 3.634 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -0.981 -8.747 3.593 1.00 0.00 H new ATOM 1803 N GLN B 40 -0.701 -11.471 4.135 1.00 0.00 N ATOM 1804 CA GLN B 40 0.457 -12.336 4.273 1.00 0.00 C ATOM 1805 C GLN B 40 0.156 -13.691 3.629 1.00 0.00 C ATOM 1806 O GLN B 40 0.845 -14.052 2.664 1.00 0.00 O ATOM 1807 CB GLN B 40 0.863 -12.503 5.738 1.00 0.00 C ATOM 1808 CG GLN B 40 1.945 -13.574 5.889 1.00 0.00 C ATOM 1809 CD GLN B 40 3.339 -12.979 5.678 1.00 0.00 C ATOM 1810 OE1 GLN B 40 3.543 -12.499 4.455 1.00 0.00 O flip ATOM 1811 NE2 GLN B 40 4.174 -12.957 6.567 1.00 0.00 N flip ATOM 0 H GLN B 40 -1.103 -11.165 5.021 1.00 0.00 H new ATOM 0 HA GLN B 40 1.301 -11.874 3.761 1.00 0.00 H new ATOM 0 HB2 GLN B 40 1.229 -11.553 6.128 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -0.009 -12.776 6.332 1.00 0.00 H new ATOM 0 HG2 GLN B 40 1.883 -14.021 6.881 1.00 0.00 H new ATOM 0 HG3 GLN B 40 1.774 -14.373 5.168 1.00 0.00 H new ATOM 0 HE21 GLN B 40 3.952 -13.343 7.485 1.00 0.00 H new ATOM 0 HE22 GLN B 40 5.094 -12.552 6.393 1.00 0.00 H new ATOM 1820 N LYS B 41 -0.852 -14.401 4.167 1.00 0.00 N ATOM 1821 CA LYS B 41 -1.238 -15.704 3.648 1.00 0.00 C ATOM 1822 C LYS B 41 -1.430 -15.607 2.133 1.00 0.00 C ATOM 1823 O LYS B 41 -1.004 -16.532 1.426 1.00 0.00 O ATOM 1824 CB LYS B 41 -2.466 -16.232 4.391 1.00 0.00 C ATOM 1825 CG LYS B 41 -2.279 -17.699 4.783 1.00 0.00 C ATOM 1826 CD LYS B 41 -3.441 -18.556 4.273 1.00 0.00 C ATOM 1827 CE LYS B 41 -3.355 -18.750 2.758 1.00 0.00 C ATOM 1828 NZ LYS B 41 -3.667 -20.143 2.398 1.00 0.00 N ATOM 0 H LYS B 41 -1.408 -14.085 4.962 1.00 0.00 H new ATOM 0 HA LYS B 41 -0.449 -16.435 3.824 1.00 0.00 H new ATOM 0 HB2 LYS B 41 -2.641 -15.632 5.284 1.00 0.00 H new ATOM 0 HB3 LYS B 41 -3.349 -16.130 3.760 1.00 0.00 H new ATOM 0 HG2 LYS B 41 -1.340 -18.072 4.373 1.00 0.00 H new ATOM 0 HG3 LYS B 41 -2.209 -17.783 5.867 1.00 0.00 H new ATOM 0 HD2 LYS B 41 -3.427 -19.527 4.769 1.00 0.00 H new ATOM 0 HD3 LYS B 41 -4.388 -18.081 4.529 1.00 0.00 H new ATOM 0 HE2 LYS B 41 -4.050 -18.075 2.259 1.00 0.00 H new ATOM 0 HE3 LYS B 41 -2.355 -18.493 2.409 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 -3.604 -20.257 1.366 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 -2.988 -20.781 2.859 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 -4.630 -20.376 2.714 1.00 0.00 H new ATOM 1842 N SER B 42 -2.057 -14.510 1.674 1.00 0.00 N ATOM 1843 CA SER B 42 -2.301 -14.299 0.256 1.00 0.00 C ATOM 1844 C SER B 42 -0.962 -14.181 -0.475 1.00 0.00 C ATOM 1845 O SER B 42 -0.822 -14.784 -1.549 1.00 0.00 O ATOM 1846 CB SER B 42 -3.150 -13.050 0.015 1.00 0.00 C ATOM 1847 OG SER B 42 -3.783 -13.074 -1.261 1.00 0.00 O ATOM 0 H SER B 42 -2.401 -13.760 2.274 1.00 0.00 H new ATOM 0 HA SER B 42 -2.857 -15.153 -0.131 1.00 0.00 H new ATOM 0 HB2 SER B 42 -3.908 -12.971 0.794 1.00 0.00 H new ATOM 0 HB3 SER B 42 -2.521 -12.163 0.091 1.00 0.00 H new ATOM 0 HG SER B 42 -4.317 -12.261 -1.377 1.00 0.00 H new ATOM 1853 N LEU B 43 -0.021 -13.421 0.111 1.00 0.00 N ATOM 1854 CA LEU B 43 1.292 -13.228 -0.482 1.00 0.00 C ATOM 1855 C LEU B 43 1.997 -14.580 -0.601 1.00 0.00 C ATOM 1856 O LEU B 43 2.386 -14.947 -1.719 1.00 0.00 O ATOM 1857 CB LEU B 43 2.088 -12.187 0.308 1.00 0.00 C ATOM 1858 CG LEU B 43 3.251 -11.526 -0.436 1.00 0.00 C ATOM 1859 CD1 LEU B 43 2.739 -10.507 -1.456 1.00 0.00 C ATOM 1860 CD2 LEU B 43 4.247 -10.904 0.545 1.00 0.00 C ATOM 0 H LEU B 43 -0.156 -12.934 0.997 1.00 0.00 H new ATOM 0 HA LEU B 43 1.199 -12.827 -1.491 1.00 0.00 H new ATOM 0 HB2 LEU B 43 1.402 -11.406 0.636 1.00 0.00 H new ATOM 0 HB3 LEU B 43 2.481 -12.664 1.206 1.00 0.00 H new ATOM 0 HG LEU B 43 3.785 -12.298 -0.991 1.00 0.00 H new ATOM 0 HD11 LEU B 43 3.585 -10.051 -1.971 1.00 0.00 H new ATOM 0 HD12 LEU B 43 2.099 -11.009 -2.182 1.00 0.00 H new ATOM 0 HD13 LEU B 43 2.168 -9.734 -0.942 1.00 0.00 H new ATOM 0 HD21 LEU B 43 5.063 -10.441 -0.010 1.00 0.00 H new ATOM 0 HD22 LEU B 43 3.742 -10.148 1.146 1.00 0.00 H new ATOM 0 HD23 LEU B 43 4.646 -11.679 1.199 1.00 0.00 H new ATOM 1872 N ARG B 44 2.144 -15.285 0.536 1.00 0.00 N ATOM 1873 CA ARG B 44 2.796 -16.584 0.559 1.00 0.00 C ATOM 1874 C ARG B 44 2.331 -17.403 -0.646 1.00 0.00 C ATOM 1875 O ARG B 44 3.189 -17.952 -1.353 1.00 0.00 O ATOM 1876 CB ARG B 44 2.477 -17.352 1.843 1.00 0.00 C ATOM 1877 CG ARG B 44 3.395 -18.566 1.998 1.00 0.00 C ATOM 1878 CD ARG B 44 4.293 -18.420 3.228 1.00 0.00 C ATOM 1879 NE ARG B 44 3.563 -18.853 4.441 1.00 0.00 N ATOM 1880 CZ ARG B 44 4.110 -19.593 5.429 1.00 0.00 C ATOM 1881 NH1 ARG B 44 5.392 -19.972 5.324 1.00 0.00 N ATOM 1882 NH2 ARG B 44 3.382 -19.946 6.497 1.00 0.00 N ATOM 0 H ARG B 44 1.815 -14.966 1.447 1.00 0.00 H new ATOM 0 HA ARG B 44 3.873 -16.423 0.519 1.00 0.00 H new ATOM 0 HB2 ARG B 44 2.592 -16.693 2.703 1.00 0.00 H new ATOM 0 HB3 ARG B 44 1.437 -17.678 1.827 1.00 0.00 H new ATOM 0 HG2 ARG B 44 2.795 -19.471 2.087 1.00 0.00 H new ATOM 0 HG3 ARG B 44 4.010 -18.678 1.105 1.00 0.00 H new ATOM 0 HD2 ARG B 44 5.195 -19.019 3.103 1.00 0.00 H new ATOM 0 HD3 ARG B 44 4.611 -17.383 3.335 1.00 0.00 H new ATOM 0 HE ARG B 44 2.586 -18.575 4.536 1.00 0.00 H new ATOM 0 HH11 ARG B 44 5.939 -19.701 4.507 1.00 0.00 H new ATOM 0 HH12 ARG B 44 5.821 -20.531 6.062 1.00 0.00 H new ATOM 0 HH21 ARG B 44 2.407 -19.656 6.568 1.00 0.00 H new ATOM 0 HH22 ARG B 44 3.803 -20.505 7.239 1.00 0.00 H new ATOM 1896 N GLY B 45 1.003 -17.468 -0.855 1.00 0.00 N ATOM 1897 CA GLY B 45 0.434 -18.214 -1.964 1.00 0.00 C ATOM 1898 C GLY B 45 0.947 -17.631 -3.282 1.00 0.00 C ATOM 1899 O GLY B 45 1.364 -18.412 -4.149 1.00 0.00 O ATOM 0 H GLY B 45 0.313 -17.008 -0.262 1.00 0.00 H new ATOM 0 HA2 GLY B 45 0.708 -19.266 -1.888 1.00 0.00 H new ATOM 0 HA3 GLY B 45 -0.654 -18.164 -1.930 1.00 0.00 H new ATOM 1903 N ARG B 46 0.908 -16.292 -3.405 1.00 0.00 N ATOM 1904 CA ARG B 46 1.366 -15.615 -4.606 1.00 0.00 C ATOM 1905 C ARG B 46 2.832 -15.970 -4.858 1.00 0.00 C ATOM 1906 O ARG B 46 3.110 -16.651 -5.856 1.00 0.00 O ATOM 1907 CB ARG B 46 1.230 -14.096 -4.482 1.00 0.00 C ATOM 1908 CG ARG B 46 -0.221 -13.657 -4.689 1.00 0.00 C ATOM 1909 CD ARG B 46 -0.316 -12.137 -4.848 1.00 0.00 C ATOM 1910 NE ARG B 46 -1.050 -11.804 -6.090 1.00 0.00 N ATOM 1911 CZ ARG B 46 -0.792 -10.721 -6.853 1.00 0.00 C ATOM 1912 NH1 ARG B 46 0.186 -9.883 -6.484 1.00 0.00 N ATOM 1913 NH2 ARG B 46 -1.503 -10.489 -7.965 1.00 0.00 N ATOM 0 H ARG B 46 0.561 -15.666 -2.678 1.00 0.00 H new ATOM 0 HA ARG B 46 0.745 -15.945 -5.439 1.00 0.00 H new ATOM 0 HB2 ARG B 46 1.574 -13.776 -3.499 1.00 0.00 H new ATOM 0 HB3 ARG B 46 1.870 -13.609 -5.218 1.00 0.00 H new ATOM 0 HG2 ARG B 46 -0.630 -14.145 -5.574 1.00 0.00 H new ATOM 0 HG3 ARG B 46 -0.826 -13.976 -3.840 1.00 0.00 H new ATOM 0 HD2 ARG B 46 -0.825 -11.704 -3.987 1.00 0.00 H new ATOM 0 HD3 ARG B 46 0.683 -11.703 -4.879 1.00 0.00 H new ATOM 0 HE ARG B 46 -1.797 -12.432 -6.387 1.00 0.00 H new ATOM 0 HH11 ARG B 46 0.723 -10.068 -5.637 1.00 0.00 H new ATOM 0 HH12 ARG B 46 0.393 -9.060 -7.050 1.00 0.00 H new ATOM 0 HH21 ARG B 46 -2.245 -11.133 -8.240 1.00 0.00 H new ATOM 0 HH22 ARG B 46 -1.302 -9.668 -8.537 1.00 0.00 H new ATOM 1927 N GLY B 47 3.726 -15.510 -3.965 1.00 0.00 N ATOM 1928 CA GLY B 47 5.149 -15.777 -4.091 1.00 0.00 C ATOM 1929 C GLY B 47 5.358 -17.257 -4.414 1.00 0.00 C ATOM 1930 O GLY B 47 5.846 -17.558 -5.514 1.00 0.00 O ATOM 0 H GLY B 47 3.476 -14.951 -3.149 1.00 0.00 H new ATOM 0 HA2 GLY B 47 5.579 -15.157 -4.878 1.00 0.00 H new ATOM 0 HA3 GLY B 47 5.663 -15.519 -3.165 1.00 0.00 H new ATOM 1934 N SER B 48 4.989 -18.139 -3.468 1.00 0.00 N ATOM 1935 CA SER B 48 5.137 -19.574 -3.652 1.00 0.00 C ATOM 1936 C SER B 48 4.732 -19.944 -5.080 1.00 0.00 C ATOM 1937 O SER B 48 5.580 -20.464 -5.818 1.00 0.00 O ATOM 1938 CB SER B 48 4.297 -20.357 -2.642 1.00 0.00 C ATOM 1939 OG SER B 48 4.547 -21.757 -2.710 1.00 0.00 O ATOM 0 H SER B 48 4.586 -17.871 -2.570 1.00 0.00 H new ATOM 0 HA SER B 48 6.181 -19.839 -3.485 1.00 0.00 H new ATOM 0 HB2 SER B 48 4.514 -19.999 -1.636 1.00 0.00 H new ATOM 0 HB3 SER B 48 3.239 -20.168 -2.827 1.00 0.00 H new ATOM 0 HG SER B 48 3.993 -22.221 -2.048 1.00 0.00 H new ATOM 1945 N THR B 49 3.462 -19.673 -5.435 1.00 0.00 N ATOM 1946 CA THR B 49 2.953 -19.975 -6.762 1.00 0.00 C ATOM 1947 C THR B 49 4.047 -19.707 -7.797 1.00 0.00 C ATOM 1948 O THR B 49 4.220 -20.537 -8.702 1.00 0.00 O ATOM 1949 CB THR B 49 1.682 -19.157 -6.996 1.00 0.00 C ATOM 1950 OG1 THR B 49 0.627 -20.037 -6.614 1.00 0.00 O ATOM 1951 CG2 THR B 49 1.423 -18.888 -8.480 1.00 0.00 C ATOM 0 H THR B 49 2.778 -19.245 -4.811 1.00 0.00 H new ATOM 0 HA THR B 49 2.684 -21.027 -6.858 1.00 0.00 H new ATOM 0 HB THR B 49 1.758 -18.209 -6.463 1.00 0.00 H new ATOM 0 HG1 THR B 49 0.412 -19.898 -5.668 1.00 0.00 H new ATOM 0 HG21 THR B 49 0.509 -18.304 -8.590 1.00 0.00 H new ATOM 0 HG22 THR B 49 2.261 -18.333 -8.901 1.00 0.00 H new ATOM 0 HG23 THR B 49 1.314 -19.835 -9.008 1.00 0.00 H new ATOM 1959 N LEU B 50 4.753 -18.572 -7.648 1.00 0.00 N ATOM 1960 CA LEU B 50 5.819 -18.202 -8.562 1.00 0.00 C ATOM 1961 C LEU B 50 7.094 -18.960 -8.188 1.00 0.00 C ATOM 1962 O LEU B 50 7.532 -19.805 -8.983 1.00 0.00 O ATOM 1963 CB LEU B 50 5.995 -16.682 -8.592 1.00 0.00 C ATOM 1964 CG LEU B 50 5.789 -16.009 -9.951 1.00 0.00 C ATOM 1965 CD1 LEU B 50 5.845 -14.485 -9.822 1.00 0.00 C ATOM 1966 CD2 LEU B 50 6.790 -16.535 -10.981 1.00 0.00 C ATOM 0 H LEU B 50 4.594 -17.901 -6.897 1.00 0.00 H new ATOM 0 HA LEU B 50 5.563 -18.492 -9.581 1.00 0.00 H new ATOM 0 HB2 LEU B 50 5.296 -16.241 -7.881 1.00 0.00 H new ATOM 0 HB3 LEU B 50 6.999 -16.445 -8.240 1.00 0.00 H new ATOM 0 HG LEU B 50 4.793 -16.265 -10.312 1.00 0.00 H new ATOM 0 HD11 LEU B 50 5.696 -14.031 -10.802 1.00 0.00 H new ATOM 0 HD12 LEU B 50 5.062 -14.148 -9.143 1.00 0.00 H new ATOM 0 HD13 LEU B 50 6.818 -14.189 -9.429 1.00 0.00 H new ATOM 0 HD21 LEU B 50 6.622 -16.040 -11.938 1.00 0.00 H new ATOM 0 HD22 LEU B 50 7.805 -16.330 -10.640 1.00 0.00 H new ATOM 0 HD23 LEU B 50 6.658 -17.610 -11.100 1.00 0.00 H new ATOM 1978 N GLY B 51 7.653 -18.652 -7.005 1.00 0.00 N ATOM 1979 CA GLY B 51 8.865 -19.300 -6.534 1.00 0.00 C ATOM 1980 C GLY B 51 10.056 -18.365 -6.748 1.00 0.00 C ATOM 1981 O GLY B 51 11.195 -18.853 -6.754 1.00 0.00 O ATOM 0 H GLY B 51 7.275 -17.955 -6.364 1.00 0.00 H new ATOM 0 HA2 GLY B 51 8.770 -19.550 -5.477 1.00 0.00 H new ATOM 0 HA3 GLY B 51 9.022 -20.236 -7.070 1.00 0.00 H new ATOM 1985 N LEU B 52 9.774 -17.060 -6.916 1.00 0.00 N ATOM 1986 CA LEU B 52 10.815 -16.069 -7.127 1.00 0.00 C ATOM 1987 C LEU B 52 11.523 -15.786 -5.799 1.00 0.00 C ATOM 1988 O LEU B 52 12.348 -16.613 -5.384 1.00 0.00 O ATOM 1989 CB LEU B 52 10.238 -14.819 -7.793 1.00 0.00 C ATOM 1990 CG LEU B 52 9.674 -15.010 -9.203 1.00 0.00 C ATOM 1991 CD1 LEU B 52 9.383 -13.662 -9.865 1.00 0.00 C ATOM 1992 CD2 LEU B 52 10.604 -15.878 -10.052 1.00 0.00 C ATOM 0 H LEU B 52 8.828 -16.679 -6.908 1.00 0.00 H new ATOM 0 HA LEU B 52 11.569 -16.451 -7.816 1.00 0.00 H new ATOM 0 HB2 LEU B 52 9.446 -14.425 -7.156 1.00 0.00 H new ATOM 0 HB3 LEU B 52 11.020 -14.060 -7.835 1.00 0.00 H new ATOM 0 HG LEU B 52 8.725 -15.539 -9.123 1.00 0.00 H new ATOM 0 HD11 LEU B 52 8.983 -13.827 -10.866 1.00 0.00 H new ATOM 0 HD12 LEU B 52 8.654 -13.114 -9.269 1.00 0.00 H new ATOM 0 HD13 LEU B 52 10.304 -13.084 -9.933 1.00 0.00 H new ATOM 0 HD21 LEU B 52 10.180 -15.998 -11.049 1.00 0.00 H new ATOM 0 HD22 LEU B 52 11.580 -15.399 -10.128 1.00 0.00 H new ATOM 0 HD23 LEU B 52 10.716 -16.856 -9.585 1.00 0.00 H new ATOM 2004 N ASN B 53 11.191 -14.644 -5.172 1.00 0.00 N ATOM 2005 CA ASN B 53 11.789 -14.259 -3.905 1.00 0.00 C ATOM 2006 C ASN B 53 11.081 -13.015 -3.368 1.00 0.00 C ATOM 2007 O ASN B 53 11.363 -11.914 -3.865 1.00 0.00 O ATOM 2008 CB ASN B 53 13.272 -13.923 -4.077 1.00 0.00 C ATOM 2009 CG ASN B 53 14.141 -14.796 -3.170 1.00 0.00 C ATOM 2010 OD1 ASN B 53 15.017 -15.519 -3.616 1.00 0.00 O ATOM 2011 ND2 ASN B 53 13.851 -14.690 -1.876 1.00 0.00 N ATOM 0 H ASN B 53 10.508 -13.977 -5.533 1.00 0.00 H new ATOM 0 HA ASN B 53 11.686 -15.096 -3.215 1.00 0.00 H new ATOM 0 HB2 ASN B 53 13.564 -14.070 -5.117 1.00 0.00 H new ATOM 0 HB3 ASN B 53 13.440 -12.871 -3.845 1.00 0.00 H new ATOM 0 HD21 ASN B 53 14.375 -15.233 -1.190 1.00 0.00 H new ATOM 0 HD22 ASN B 53 13.105 -14.065 -1.570 1.00 0.00 H new ATOM 2018 N ILE B 54 10.189 -13.209 -2.380 1.00 0.00 N ATOM 2019 CA ILE B 54 9.449 -12.110 -1.783 1.00 0.00 C ATOM 2020 C ILE B 54 10.377 -10.903 -1.626 1.00 0.00 C ATOM 2021 O ILE B 54 9.958 -9.788 -1.972 1.00 0.00 O ATOM 2022 CB ILE B 54 8.791 -12.554 -0.476 1.00 0.00 C ATOM 2023 CG1 ILE B 54 7.299 -12.829 -0.680 1.00 0.00 C ATOM 2024 CG2 ILE B 54 9.039 -11.535 0.637 1.00 0.00 C ATOM 2025 CD1 ILE B 54 7.077 -13.839 -1.806 1.00 0.00 C ATOM 0 H ILE B 54 9.971 -14.124 -1.985 1.00 0.00 H new ATOM 0 HA ILE B 54 8.632 -11.802 -2.435 1.00 0.00 H new ATOM 0 HB ILE B 54 9.252 -13.491 -0.162 1.00 0.00 H new ATOM 0 HG12 ILE B 54 6.866 -13.209 0.245 1.00 0.00 H new ATOM 0 HG13 ILE B 54 6.783 -11.898 -0.915 1.00 0.00 H new ATOM 0 HG21 ILE B 54 8.560 -11.875 1.555 1.00 0.00 H new ATOM 0 HG22 ILE B 54 10.111 -11.432 0.804 1.00 0.00 H new ATOM 0 HG23 ILE B 54 8.622 -10.570 0.347 1.00 0.00 H new ATOM 0 HD11 ILE B 54 6.009 -14.017 -1.930 1.00 0.00 H new ATOM 0 HD12 ILE B 54 7.490 -13.445 -2.735 1.00 0.00 H new ATOM 0 HD13 ILE B 54 7.574 -14.777 -1.557 1.00 0.00 H new ATOM 2037 N GLU B 55 11.597 -11.144 -1.114 1.00 0.00 N ATOM 2038 CA GLU B 55 12.571 -10.084 -0.914 1.00 0.00 C ATOM 2039 C GLU B 55 12.913 -9.450 -2.264 1.00 0.00 C ATOM 2040 O GLU B 55 12.668 -8.245 -2.428 1.00 0.00 O ATOM 2041 CB GLU B 55 13.831 -10.603 -0.217 1.00 0.00 C ATOM 2042 CG GLU B 55 14.156 -9.767 1.022 1.00 0.00 C ATOM 2043 CD GLU B 55 15.500 -10.181 1.626 1.00 0.00 C ATOM 2044 OE1 GLU B 55 16.368 -10.617 0.777 1.00 0.00 O ATOM 2045 OE2 GLU B 55 15.686 -10.085 2.847 1.00 0.00 O ATOM 0 H GLU B 55 11.922 -12.070 -0.834 1.00 0.00 H new ATOM 0 HA GLU B 55 12.136 -9.328 -0.261 1.00 0.00 H new ATOM 0 HB2 GLU B 55 13.689 -11.645 0.070 1.00 0.00 H new ATOM 0 HB3 GLU B 55 14.672 -10.575 -0.910 1.00 0.00 H new ATOM 0 HG2 GLU B 55 14.183 -8.710 0.755 1.00 0.00 H new ATOM 0 HG3 GLU B 55 13.367 -9.888 1.764 1.00 0.00 H new ATOM 2052 N ALA B 56 13.462 -10.258 -3.187 1.00 0.00 N ATOM 2053 CA ALA B 56 13.832 -9.779 -4.508 1.00 0.00 C ATOM 2054 C ALA B 56 12.684 -8.948 -5.085 1.00 0.00 C ATOM 2055 O ALA B 56 12.889 -7.751 -5.336 1.00 0.00 O ATOM 2056 CB ALA B 56 14.018 -10.967 -5.454 1.00 0.00 C ATOM 0 H ALA B 56 13.655 -11.247 -3.031 1.00 0.00 H new ATOM 0 HA ALA B 56 14.748 -9.195 -4.419 1.00 0.00 H new ATOM 0 HB1 ALA B 56 14.295 -10.604 -6.444 1.00 0.00 H new ATOM 0 HB2 ALA B 56 14.805 -11.617 -5.072 1.00 0.00 H new ATOM 0 HB3 ALA B 56 13.086 -11.528 -5.521 1.00 0.00 H new ATOM 2062 N ALA B 57 11.516 -9.587 -5.280 1.00 0.00 N ATOM 2063 CA ALA B 57 10.349 -8.911 -5.820 1.00 0.00 C ATOM 2064 C ALA B 57 10.170 -7.567 -5.113 1.00 0.00 C ATOM 2065 O ALA B 57 10.334 -6.528 -5.769 1.00 0.00 O ATOM 2066 CB ALA B 57 9.093 -9.728 -5.514 1.00 0.00 C ATOM 0 H ALA B 57 11.367 -10.573 -5.067 1.00 0.00 H new ATOM 0 HA ALA B 57 10.489 -8.786 -6.894 1.00 0.00 H new ATOM 0 HB1 ALA B 57 8.219 -9.218 -5.920 1.00 0.00 H new ATOM 0 HB2 ALA B 57 9.181 -10.715 -5.968 1.00 0.00 H new ATOM 0 HB3 ALA B 57 8.982 -9.834 -4.435 1.00 0.00 H new ATOM 2072 N THR B 58 9.842 -7.612 -3.809 1.00 0.00 N ATOM 2073 CA THR B 58 9.643 -6.405 -3.023 1.00 0.00 C ATOM 2074 C THR B 58 10.797 -5.435 -3.284 1.00 0.00 C ATOM 2075 O THR B 58 10.580 -4.219 -3.181 1.00 0.00 O ATOM 2076 CB THR B 58 9.502 -6.800 -1.552 1.00 0.00 C ATOM 2077 OG1 THR B 58 8.605 -5.830 -1.017 1.00 0.00 O ATOM 2078 CG2 THR B 58 10.794 -6.587 -0.761 1.00 0.00 C ATOM 0 H THR B 58 9.712 -8.478 -3.287 1.00 0.00 H new ATOM 0 HA THR B 58 8.729 -5.885 -3.310 1.00 0.00 H new ATOM 0 HB THR B 58 9.204 -7.846 -1.485 1.00 0.00 H new ATOM 0 HG1 THR B 58 8.129 -6.212 -0.250 1.00 0.00 H new ATOM 0 HG21 THR B 58 10.638 -6.883 0.276 1.00 0.00 H new ATOM 0 HG22 THR B 58 11.590 -7.191 -1.195 1.00 0.00 H new ATOM 0 HG23 THR B 58 11.075 -5.535 -0.800 1.00 0.00 H new ATOM 2086 N HIS B 59 11.981 -5.983 -3.612 1.00 0.00 N ATOM 2087 CA HIS B 59 13.155 -5.172 -3.885 1.00 0.00 C ATOM 2088 C HIS B 59 12.885 -4.285 -5.102 1.00 0.00 C ATOM 2089 O HIS B 59 12.824 -3.057 -4.935 1.00 0.00 O ATOM 2090 CB HIS B 59 14.399 -6.046 -4.053 1.00 0.00 C ATOM 2091 CG HIS B 59 15.648 -5.462 -3.441 1.00 0.00 C ATOM 2092 ND1 HIS B 59 16.858 -5.405 -4.113 1.00 0.00 N ATOM 2093 CD2 HIS B 59 15.865 -4.907 -2.214 1.00 0.00 C ATOM 2094 CE1 HIS B 59 17.754 -4.842 -3.317 1.00 0.00 C ATOM 2095 NE2 HIS B 59 17.137 -4.534 -2.140 1.00 0.00 N ATOM 0 H HIS B 59 12.138 -6.988 -3.691 1.00 0.00 H new ATOM 0 HA HIS B 59 13.358 -4.520 -3.035 1.00 0.00 H new ATOM 0 HB2 HIS B 59 14.209 -7.021 -3.604 1.00 0.00 H new ATOM 0 HB3 HIS B 59 14.572 -6.213 -5.116 1.00 0.00 H new ATOM 0 HD2 HIS B 59 15.127 -4.791 -1.434 1.00 0.00 H new ATOM 0 HE1 HIS B 59 18.791 -4.659 -3.557 1.00 0.00 H new ATOM 0 HE2 HIS B 59 17.580 -4.090 -1.336 1.00 0.00 H new ATOM 2103 N VAL B 60 12.732 -4.911 -6.282 1.00 0.00 N ATOM 2104 CA VAL B 60 12.471 -4.183 -7.512 1.00 0.00 C ATOM 2105 C VAL B 60 11.329 -3.193 -7.282 1.00 0.00 C ATOM 2106 O VAL B 60 11.442 -2.045 -7.738 1.00 0.00 O ATOM 2107 CB VAL B 60 12.191 -5.165 -8.652 1.00 0.00 C ATOM 2108 CG1 VAL B 60 11.089 -4.636 -9.573 1.00 0.00 C ATOM 2109 CG2 VAL B 60 13.466 -5.469 -9.441 1.00 0.00 C ATOM 0 H VAL B 60 12.787 -5.923 -6.398 1.00 0.00 H new ATOM 0 HA VAL B 60 13.347 -3.605 -7.806 1.00 0.00 H new ATOM 0 HB VAL B 60 11.840 -6.098 -8.211 1.00 0.00 H new ATOM 0 HG11 VAL B 60 10.910 -5.353 -10.374 1.00 0.00 H new ATOM 0 HG12 VAL B 60 10.172 -4.495 -9.000 1.00 0.00 H new ATOM 0 HG13 VAL B 60 11.399 -3.683 -10.001 1.00 0.00 H new ATOM 0 HG21 VAL B 60 13.238 -6.169 -10.245 1.00 0.00 H new ATOM 0 HG22 VAL B 60 13.860 -4.546 -9.865 1.00 0.00 H new ATOM 0 HG23 VAL B 60 14.209 -5.909 -8.776 1.00 0.00 H new ATOM 2119 N GLY B 61 10.268 -3.647 -6.590 1.00 0.00 N ATOM 2120 CA GLY B 61 9.119 -2.806 -6.303 1.00 0.00 C ATOM 2121 C GLY B 61 9.582 -1.549 -5.564 1.00 0.00 C ATOM 2122 O GLY B 61 9.179 -0.447 -5.963 1.00 0.00 O ATOM 0 H GLY B 61 10.194 -4.596 -6.224 1.00 0.00 H new ATOM 0 HA2 GLY B 61 8.615 -2.532 -7.230 1.00 0.00 H new ATOM 0 HA3 GLY B 61 8.397 -3.353 -5.697 1.00 0.00 H new ATOM 2126 N LYS B 62 10.409 -1.736 -4.519 1.00 0.00 N ATOM 2127 CA LYS B 62 10.920 -0.625 -3.734 1.00 0.00 C ATOM 2128 C LYS B 62 11.555 0.406 -4.670 1.00 0.00 C ATOM 2129 O LYS B 62 11.463 1.606 -4.375 1.00 0.00 O ATOM 2130 CB LYS B 62 11.866 -1.130 -2.643 1.00 0.00 C ATOM 2131 CG LYS B 62 12.967 -0.107 -2.355 1.00 0.00 C ATOM 2132 CD LYS B 62 12.380 1.172 -1.754 1.00 0.00 C ATOM 2133 CE LYS B 62 13.024 2.413 -2.376 1.00 0.00 C ATOM 2134 NZ LYS B 62 13.938 3.056 -1.417 1.00 0.00 N ATOM 0 H LYS B 62 10.731 -2.652 -4.208 1.00 0.00 H new ATOM 0 HA LYS B 62 10.107 -0.123 -3.211 1.00 0.00 H new ATOM 0 HB2 LYS B 62 11.302 -1.329 -1.732 1.00 0.00 H new ATOM 0 HB3 LYS B 62 12.314 -2.074 -2.953 1.00 0.00 H new ATOM 0 HG2 LYS B 62 13.696 -0.535 -1.667 1.00 0.00 H new ATOM 0 HG3 LYS B 62 13.499 0.130 -3.276 1.00 0.00 H new ATOM 0 HD2 LYS B 62 11.303 1.195 -1.919 1.00 0.00 H new ATOM 0 HD3 LYS B 62 12.538 1.177 -0.675 1.00 0.00 H new ATOM 0 HE2 LYS B 62 13.571 2.133 -3.277 1.00 0.00 H new ATOM 0 HE3 LYS B 62 12.250 3.118 -2.679 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 14.366 3.896 -1.855 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 13.407 3.340 -0.569 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 14.687 2.386 -1.148 1.00 0.00 H new ATOM 2148 N GLN B 63 12.177 -0.075 -5.761 1.00 0.00 N ATOM 2149 CA GLN B 63 12.819 0.799 -6.729 1.00 0.00 C ATOM 2150 C GLN B 63 11.748 1.512 -7.556 1.00 0.00 C ATOM 2151 O GLN B 63 11.913 2.709 -7.828 1.00 0.00 O ATOM 2152 CB GLN B 63 13.784 0.025 -7.631 1.00 0.00 C ATOM 2153 CG GLN B 63 15.223 0.144 -7.124 1.00 0.00 C ATOM 2154 CD GLN B 63 15.454 -0.762 -5.914 1.00 0.00 C ATOM 2155 OE1 GLN B 63 14.994 -2.001 -6.069 1.00 0.00 O flip ATOM 2156 NE2 GLN B 63 16.015 -0.364 -4.905 1.00 0.00 N flip ATOM 0 H GLN B 63 12.243 -1.068 -5.985 1.00 0.00 H new ATOM 0 HA GLN B 63 13.411 1.540 -6.192 1.00 0.00 H new ATOM 0 HB2 GLN B 63 13.492 -1.025 -7.666 1.00 0.00 H new ATOM 0 HB3 GLN B 63 13.721 0.407 -8.650 1.00 0.00 H new ATOM 0 HG2 GLN B 63 15.917 -0.124 -7.921 1.00 0.00 H new ATOM 0 HG3 GLN B 63 15.433 1.179 -6.853 1.00 0.00 H new ATOM 0 HE21 GLN B 63 16.344 0.600 -4.851 1.00 0.00 H new ATOM 0 HE22 GLN B 63 16.154 -0.995 -4.116 1.00 0.00 H new ATOM 2165 N ILE B 64 10.689 0.775 -7.933 1.00 0.00 N ATOM 2166 CA ILE B 64 9.603 1.333 -8.722 1.00 0.00 C ATOM 2167 C ILE B 64 8.951 2.478 -7.944 1.00 0.00 C ATOM 2168 O ILE B 64 8.682 3.525 -8.552 1.00 0.00 O ATOM 2169 CB ILE B 64 8.622 0.235 -9.136 1.00 0.00 C ATOM 2170 CG1 ILE B 64 8.679 -0.010 -10.645 1.00 0.00 C ATOM 2171 CG2 ILE B 64 7.203 0.559 -8.661 1.00 0.00 C ATOM 2172 CD1 ILE B 64 8.149 1.200 -11.418 1.00 0.00 C ATOM 0 H ILE B 64 10.572 -0.211 -7.698 1.00 0.00 H new ATOM 0 HA ILE B 64 9.985 1.754 -9.652 1.00 0.00 H new ATOM 0 HB ILE B 64 8.921 -0.692 -8.647 1.00 0.00 H new ATOM 0 HG12 ILE B 64 9.706 -0.216 -10.945 1.00 0.00 H new ATOM 0 HG13 ILE B 64 8.091 -0.893 -10.896 1.00 0.00 H new ATOM 0 HG21 ILE B 64 6.526 -0.238 -8.969 1.00 0.00 H new ATOM 0 HG22 ILE B 64 7.194 0.644 -7.574 1.00 0.00 H new ATOM 0 HG23 ILE B 64 6.878 1.502 -9.102 1.00 0.00 H new ATOM 0 HD11 ILE B 64 8.201 0.999 -12.488 1.00 0.00 H new ATOM 0 HD12 ILE B 64 7.114 1.388 -11.134 1.00 0.00 H new ATOM 0 HD13 ILE B 64 8.755 2.075 -11.183 1.00 0.00 H new ATOM 2184 N VAL B 65 8.715 2.262 -6.638 1.00 0.00 N ATOM 2185 CA VAL B 65 8.102 3.269 -5.789 1.00 0.00 C ATOM 2186 C VAL B 65 9.047 4.465 -5.659 1.00 0.00 C ATOM 2187 O VAL B 65 8.608 5.595 -5.920 1.00 0.00 O ATOM 2188 CB VAL B 65 7.724 2.656 -4.439 1.00 0.00 C ATOM 2189 CG1 VAL B 65 7.447 3.745 -3.400 1.00 0.00 C ATOM 2190 CG2 VAL B 65 6.525 1.715 -4.580 1.00 0.00 C ATOM 0 H VAL B 65 8.945 1.392 -6.157 1.00 0.00 H new ATOM 0 HA VAL B 65 7.177 3.633 -6.236 1.00 0.00 H new ATOM 0 HB VAL B 65 8.572 2.068 -4.089 1.00 0.00 H new ATOM 0 HG11 VAL B 65 7.181 3.282 -2.450 1.00 0.00 H new ATOM 0 HG12 VAL B 65 8.339 4.357 -3.268 1.00 0.00 H new ATOM 0 HG13 VAL B 65 6.624 4.372 -3.741 1.00 0.00 H new ATOM 0 HG21 VAL B 65 6.277 1.293 -3.606 1.00 0.00 H new ATOM 0 HG22 VAL B 65 5.669 2.271 -4.963 1.00 0.00 H new ATOM 0 HG23 VAL B 65 6.774 0.910 -5.272 1.00 0.00 H new ATOM 2200 N GLU B 66 10.305 4.199 -5.263 1.00 0.00 N ATOM 2201 CA GLU B 66 11.299 5.245 -5.101 1.00 0.00 C ATOM 2202 C GLU B 66 11.378 6.072 -6.387 1.00 0.00 C ATOM 2203 O GLU B 66 11.655 7.276 -6.297 1.00 0.00 O ATOM 2204 CB GLU B 66 12.669 4.668 -4.736 1.00 0.00 C ATOM 2205 CG GLU B 66 13.689 4.934 -5.844 1.00 0.00 C ATOM 2206 CD GLU B 66 15.060 4.364 -5.475 1.00 0.00 C ATOM 2207 OE1 GLU B 66 15.631 4.926 -4.465 1.00 0.00 O ATOM 2208 OE2 GLU B 66 15.539 3.429 -6.134 1.00 0.00 O ATOM 0 H GLU B 66 10.646 3.261 -5.052 1.00 0.00 H new ATOM 0 HA GLU B 66 10.996 5.890 -4.276 1.00 0.00 H new ATOM 0 HB2 GLU B 66 13.017 5.111 -3.803 1.00 0.00 H new ATOM 0 HB3 GLU B 66 12.582 3.595 -4.567 1.00 0.00 H new ATOM 0 HG2 GLU B 66 13.344 4.486 -6.776 1.00 0.00 H new ATOM 0 HG3 GLU B 66 13.772 6.007 -6.017 1.00 0.00 H new ATOM 2215 N LYS B 67 11.135 5.419 -7.537 1.00 0.00 N ATOM 2216 CA LYS B 67 11.179 6.089 -8.827 1.00 0.00 C ATOM 2217 C LYS B 67 9.921 6.943 -8.995 1.00 0.00 C ATOM 2218 O LYS B 67 9.980 7.943 -9.726 1.00 0.00 O ATOM 2219 CB LYS B 67 11.390 5.074 -9.951 1.00 0.00 C ATOM 2220 CG LYS B 67 11.213 5.730 -11.322 1.00 0.00 C ATOM 2221 CD LYS B 67 11.111 4.675 -12.426 1.00 0.00 C ATOM 2222 CE LYS B 67 11.702 5.194 -13.738 1.00 0.00 C ATOM 2223 NZ LYS B 67 10.887 6.299 -14.270 1.00 0.00 N ATOM 0 H LYS B 67 10.907 4.426 -7.588 1.00 0.00 H new ATOM 0 HA LYS B 67 12.032 6.765 -8.877 1.00 0.00 H new ATOM 0 HB2 LYS B 67 12.389 4.645 -9.875 1.00 0.00 H new ATOM 0 HB3 LYS B 67 10.681 4.253 -9.842 1.00 0.00 H new ATOM 0 HG2 LYS B 67 10.315 6.348 -11.320 1.00 0.00 H new ATOM 0 HG3 LYS B 67 12.055 6.392 -11.524 1.00 0.00 H new ATOM 0 HD2 LYS B 67 11.636 3.771 -12.119 1.00 0.00 H new ATOM 0 HD3 LYS B 67 10.067 4.401 -12.577 1.00 0.00 H new ATOM 0 HE2 LYS B 67 12.724 5.535 -13.573 1.00 0.00 H new ATOM 0 HE3 LYS B 67 11.749 4.385 -14.467 1.00 0.00 H new ATOM 0 HZ1 LYS B 67 11.263 6.594 -15.194 1.00 0.00 H new ATOM 0 HZ2 LYS B 67 9.903 5.982 -14.382 1.00 0.00 H new ATOM 0 HZ3 LYS B 67 10.919 7.103 -13.611 1.00 0.00 H new ATOM 2237 N ILE B 68 8.825 6.539 -8.328 1.00 0.00 N ATOM 2238 CA ILE B 68 7.567 7.262 -8.404 1.00 0.00 C ATOM 2239 C ILE B 68 7.664 8.537 -7.564 1.00 0.00 C ATOM 2240 O ILE B 68 7.041 9.540 -7.940 1.00 0.00 O ATOM 2241 CB ILE B 68 6.402 6.352 -8.009 1.00 0.00 C ATOM 2242 CG1 ILE B 68 5.774 5.699 -9.243 1.00 0.00 C ATOM 2243 CG2 ILE B 68 5.369 7.114 -7.176 1.00 0.00 C ATOM 2244 CD1 ILE B 68 5.201 4.322 -8.901 1.00 0.00 C ATOM 0 H ILE B 68 8.797 5.712 -7.732 1.00 0.00 H new ATOM 0 HA ILE B 68 7.367 7.571 -9.430 1.00 0.00 H new ATOM 0 HB ILE B 68 6.792 5.550 -7.383 1.00 0.00 H new ATOM 0 HG12 ILE B 68 4.984 6.339 -9.635 1.00 0.00 H new ATOM 0 HG13 ILE B 68 6.524 5.600 -10.028 1.00 0.00 H new ATOM 0 HG21 ILE B 68 4.552 6.444 -6.909 1.00 0.00 H new ATOM 0 HG22 ILE B 68 5.840 7.492 -6.269 1.00 0.00 H new ATOM 0 HG23 ILE B 68 4.978 7.950 -7.757 1.00 0.00 H new ATOM 0 HD11 ILE B 68 4.761 3.879 -9.794 1.00 0.00 H new ATOM 0 HD12 ILE B 68 5.999 3.677 -8.532 1.00 0.00 H new ATOM 0 HD13 ILE B 68 4.435 4.427 -8.133 1.00 0.00 H new ATOM 2256 N LEU B 69 8.431 8.473 -6.460 1.00 0.00 N ATOM 2257 CA LEU B 69 8.606 9.614 -5.578 1.00 0.00 C ATOM 2258 C LEU B 69 9.441 10.681 -6.289 1.00 0.00 C ATOM 2259 O LEU B 69 9.130 11.871 -6.137 1.00 0.00 O ATOM 2260 CB LEU B 69 9.192 9.168 -4.237 1.00 0.00 C ATOM 2261 CG LEU B 69 9.084 7.675 -3.919 1.00 0.00 C ATOM 2262 CD1 LEU B 69 9.856 7.327 -2.646 1.00 0.00 C ATOM 2263 CD2 LEU B 69 7.620 7.236 -3.840 1.00 0.00 C ATOM 0 H LEU B 69 8.935 7.636 -6.168 1.00 0.00 H new ATOM 0 HA LEU B 69 7.642 10.067 -5.345 1.00 0.00 H new ATOM 0 HB2 LEU B 69 10.245 9.449 -4.212 1.00 0.00 H new ATOM 0 HB3 LEU B 69 8.695 9.725 -3.443 1.00 0.00 H new ATOM 0 HG LEU B 69 9.544 7.118 -4.735 1.00 0.00 H new ATOM 0 HD11 LEU B 69 9.762 6.260 -2.444 1.00 0.00 H new ATOM 0 HD12 LEU B 69 10.908 7.580 -2.778 1.00 0.00 H new ATOM 0 HD13 LEU B 69 9.449 7.892 -1.808 1.00 0.00 H new ATOM 0 HD21 LEU B 69 7.571 6.171 -3.613 1.00 0.00 H new ATOM 0 HD22 LEU B 69 7.113 7.798 -3.055 1.00 0.00 H new ATOM 0 HD23 LEU B 69 7.131 7.426 -4.796 1.00 0.00 H new ATOM 2275 N LYS B 70 10.468 10.241 -7.039 1.00 0.00 N ATOM 2276 CA LYS B 70 11.336 11.151 -7.765 1.00 0.00 C ATOM 2277 C LYS B 70 10.496 11.989 -8.730 1.00 0.00 C ATOM 2278 O LYS B 70 10.929 13.097 -9.079 1.00 0.00 O ATOM 2279 CB LYS B 70 12.470 10.382 -8.445 1.00 0.00 C ATOM 2280 CG LYS B 70 11.991 9.732 -9.744 1.00 0.00 C ATOM 2281 CD LYS B 70 12.789 10.250 -10.943 1.00 0.00 C ATOM 2282 CE LYS B 70 12.577 11.752 -11.135 1.00 0.00 C ATOM 2283 NZ LYS B 70 11.214 12.023 -11.621 1.00 0.00 N ATOM 0 H LYS B 70 10.707 9.256 -7.150 1.00 0.00 H new ATOM 0 HA LYS B 70 11.820 11.845 -7.078 1.00 0.00 H new ATOM 0 HB2 LYS B 70 13.297 11.059 -8.657 1.00 0.00 H new ATOM 0 HB3 LYS B 70 12.850 9.616 -7.770 1.00 0.00 H new ATOM 0 HG2 LYS B 70 12.096 8.649 -9.673 1.00 0.00 H new ATOM 0 HG3 LYS B 70 10.931 9.941 -9.890 1.00 0.00 H new ATOM 0 HD2 LYS B 70 13.849 10.045 -10.795 1.00 0.00 H new ATOM 0 HD3 LYS B 70 12.484 9.718 -11.844 1.00 0.00 H new ATOM 0 HE2 LYS B 70 12.743 12.272 -10.192 1.00 0.00 H new ATOM 0 HE3 LYS B 70 13.307 12.140 -11.846 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 10.820 12.840 -11.112 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 11.244 12.231 -12.640 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 10.614 11.190 -11.455 1.00 0.00 H new ATOM 2297 N GLU B 71 9.331 11.455 -9.137 1.00 0.00 N ATOM 2298 CA GLU B 71 8.442 12.149 -10.053 1.00 0.00 C ATOM 2299 C GLU B 71 7.586 13.144 -9.269 1.00 0.00 C ATOM 2300 O GLU B 71 7.061 14.084 -9.884 1.00 0.00 O ATOM 2301 CB GLU B 71 7.567 11.169 -10.836 1.00 0.00 C ATOM 2302 CG GLU B 71 8.190 9.772 -10.858 1.00 0.00 C ATOM 2303 CD GLU B 71 7.370 8.819 -11.730 1.00 0.00 C ATOM 2304 OE1 GLU B 71 6.140 8.958 -11.814 1.00 0.00 O ATOM 2305 OE2 GLU B 71 8.053 7.908 -12.334 1.00 0.00 O ATOM 0 H GLU B 71 8.992 10.541 -8.838 1.00 0.00 H new ATOM 0 HA GLU B 71 9.044 12.690 -10.783 1.00 0.00 H new ATOM 0 HB2 GLU B 71 6.576 11.122 -10.385 1.00 0.00 H new ATOM 0 HB3 GLU B 71 7.436 11.529 -11.857 1.00 0.00 H new ATOM 0 HG2 GLU B 71 9.210 9.831 -11.238 1.00 0.00 H new ATOM 0 HG3 GLU B 71 8.250 9.381 -9.842 1.00 0.00 H new