USER MOD reduce.3.24.130724 H: found=0, std=0, add=690, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 693 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 123 GLN : amide:sc= -0.277 X(o=-0.28,f=-0.00092) USER MOD Set 1.2: B 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: B 109 THR OG1 : rot -170:sc= -3.86 USER MOD Set 2.2: B 112 GLN : amide:sc= -3.64 X(o=-7.5,f=-7.2!) USER MOD Set 3.1: A 23 GLN :FLIP amide:sc= 0.182 F(o=-0.32,f=0.42) USER MOD Set 3.2: A 25 LYS NZ :NH3+ 166:sc= 0.243 (180deg=0) USER MOD Set 4.1: A 5 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: B 105 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 2 SER OG : rot -53:sc= -1.14 USER MOD Set 5.2: B 113 HIS : no HD1:sc= -3.45 K(o=-4.6,f=-13!) USER MOD Single : A 8 MET CE :methyl -148:sc= -9.54! (180deg=-13.5!) USER MOD Single : A 9 THR OG1 : rot -61:sc= 0.481 USER MOD Single : A 11 GLN : amide:sc= -0.173 K(o=-0.17,f=-1.1) USER MOD Single : A 12 GLN : amide:sc= -0.064 X(o=-0.064,f=0) USER MOD Single : A 13 HIS : no HD1:sc= -3.28 K(o=-3.3,f=-4!) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0298) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0.231 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot -170:sc= -1.06 USER MOD Single : A 52 MET CE :methyl 165:sc= 0 (180deg=-0.345) USER MOD Single : A 55 ASN : amide:sc= -0.357 X(o=-0.36,f=0) USER MOD Single : B 102 SER OG : rot -142:sc= -2.19 USER MOD Single : B 108 MET CE :methyl -174:sc= -2.59! (180deg=-2.61!) USER MOD Single : B 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 114 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 115 SER OG : rot 180:sc= 0 USER MOD Single : B 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 126 THR OG1 : rot 180:sc= 0 USER MOD Single : B 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 129 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 130 TYR OH : rot -15:sc= -1.16 USER MOD ----------------------------------------------------------------- ATOM 20 N SER A 2 -16.413 -15.997 3.694 1.00 0.00 N ATOM 21 CA SER A 2 -16.218 -15.148 2.524 1.00 0.00 C ATOM 22 C SER A 2 -14.774 -14.671 2.433 1.00 0.00 C ATOM 23 O SER A 2 -14.483 -13.486 2.598 1.00 0.00 O ATOM 24 CB SER A 2 -17.178 -13.959 2.564 1.00 0.00 C ATOM 25 OG SER A 2 -17.835 -13.791 1.320 1.00 0.00 O ATOM 0 HA SER A 2 -16.434 -15.738 1.633 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.917 -14.110 3.351 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.628 -13.052 2.813 1.00 0.00 H new ATOM 0 HG SER A 2 -17.169 -13.739 0.603 1.00 0.00 H new ATOM 31 N ARG A 3 -13.875 -15.608 2.156 1.00 0.00 N ATOM 32 CA ARG A 3 -12.459 -15.298 2.026 1.00 0.00 C ATOM 33 C ARG A 3 -12.111 -15.062 0.562 1.00 0.00 C ATOM 34 O ARG A 3 -12.282 -15.946 -0.278 1.00 0.00 O ATOM 35 CB ARG A 3 -11.615 -16.443 2.601 1.00 0.00 C ATOM 36 CG ARG A 3 -10.145 -16.392 2.209 1.00 0.00 C ATOM 37 CD ARG A 3 -9.284 -17.175 3.186 1.00 0.00 C ATOM 38 NE ARG A 3 -9.644 -18.591 3.218 1.00 0.00 N ATOM 39 CZ ARG A 3 -9.455 -19.384 4.271 1.00 0.00 C ATOM 40 NH1 ARG A 3 -8.901 -18.911 5.380 1.00 0.00 N ATOM 41 NH2 ARG A 3 -9.819 -20.658 4.213 1.00 0.00 N ATOM 0 H ARG A 3 -14.104 -16.592 2.017 1.00 0.00 H new ATOM 0 HA ARG A 3 -12.239 -14.390 2.587 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -11.690 -16.425 3.688 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -12.036 -17.392 2.268 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -10.020 -16.798 1.205 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -9.811 -15.355 2.177 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -8.235 -17.074 2.907 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -9.391 -16.751 4.184 1.00 0.00 H new ATOM 0 HE ARG A 3 -10.066 -18.997 2.383 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -8.616 -17.933 5.431 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -8.760 -19.525 6.182 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -10.243 -21.029 3.363 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -9.675 -21.267 5.019 1.00 0.00 H new ATOM 55 N LEU A 4 -11.626 -13.865 0.261 1.00 0.00 N ATOM 56 CA LEU A 4 -11.260 -13.514 -1.102 1.00 0.00 C ATOM 57 C LEU A 4 -9.765 -13.288 -1.217 1.00 0.00 C ATOM 58 O LEU A 4 -9.155 -12.652 -0.357 1.00 0.00 O ATOM 59 CB LEU A 4 -12.010 -12.247 -1.551 1.00 0.00 C ATOM 60 CG LEU A 4 -11.218 -11.285 -2.459 1.00 0.00 C ATOM 61 CD1 LEU A 4 -11.758 -11.309 -3.882 1.00 0.00 C ATOM 62 CD2 LEU A 4 -11.248 -9.871 -1.894 1.00 0.00 C ATOM 0 H LEU A 4 -11.477 -13.121 0.943 1.00 0.00 H new ATOM 0 HA LEU A 4 -11.541 -14.345 -1.750 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -12.915 -12.551 -2.077 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -12.326 -11.700 -0.662 1.00 0.00 H new ATOM 0 HG LEU A 4 -10.182 -11.622 -2.488 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -11.182 -10.622 -4.501 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.675 -12.318 -4.286 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -12.805 -11.004 -3.879 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.684 -9.206 -2.548 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -12.280 -9.527 -1.829 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -10.801 -9.867 -0.900 1.00 0.00 H new ATOM 74 N THR A 5 -9.184 -13.770 -2.304 1.00 0.00 N ATOM 75 CA THR A 5 -7.771 -13.565 -2.539 1.00 0.00 C ATOM 76 C THR A 5 -7.583 -12.294 -3.348 1.00 0.00 C ATOM 77 O THR A 5 -8.107 -12.158 -4.450 1.00 0.00 O ATOM 78 CB THR A 5 -7.144 -14.747 -3.265 1.00 0.00 C ATOM 79 OG1 THR A 5 -7.297 -15.941 -2.515 1.00 0.00 O ATOM 80 CG2 THR A 5 -5.670 -14.542 -3.517 1.00 0.00 C ATOM 0 H THR A 5 -9.667 -14.301 -3.029 1.00 0.00 H new ATOM 0 HA THR A 5 -7.270 -13.473 -1.575 1.00 0.00 H new ATOM 0 HB THR A 5 -7.664 -14.827 -4.220 1.00 0.00 H new ATOM 0 HG1 THR A 5 -6.888 -16.687 -3.001 1.00 0.00 H new ATOM 0 HG21 THR A 5 -5.266 -15.410 -4.037 1.00 0.00 H new ATOM 0 HG22 THR A 5 -5.526 -13.652 -4.130 1.00 0.00 H new ATOM 0 HG23 THR A 5 -5.153 -14.415 -2.566 1.00 0.00 H new ATOM 88 N ILE A 6 -6.851 -11.360 -2.777 1.00 0.00 N ATOM 89 CA ILE A 6 -6.604 -10.080 -3.412 1.00 0.00 C ATOM 90 C ILE A 6 -5.208 -10.048 -4.044 1.00 0.00 C ATOM 91 O ILE A 6 -4.212 -10.265 -3.362 1.00 0.00 O ATOM 92 CB ILE A 6 -6.781 -8.957 -2.360 1.00 0.00 C ATOM 93 CG1 ILE A 6 -8.198 -8.419 -2.409 1.00 0.00 C ATOM 94 CG2 ILE A 6 -5.795 -7.826 -2.545 1.00 0.00 C ATOM 95 CD1 ILE A 6 -8.506 -7.785 -3.725 1.00 0.00 C ATOM 0 H ILE A 6 -6.411 -11.465 -1.863 1.00 0.00 H new ATOM 0 HA ILE A 6 -7.320 -9.923 -4.218 1.00 0.00 H new ATOM 0 HB ILE A 6 -6.584 -9.400 -1.383 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -8.901 -9.231 -2.223 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -8.337 -7.688 -1.612 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -5.964 -7.067 -1.781 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -4.779 -8.211 -2.456 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -5.930 -7.384 -3.532 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -9.530 -7.413 -3.719 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -7.820 -6.956 -3.899 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -8.393 -8.523 -4.520 1.00 0.00 H new ATOM 107 N ASP A 7 -5.142 -9.789 -5.353 1.00 0.00 N ATOM 108 CA ASP A 7 -3.857 -9.750 -6.054 1.00 0.00 C ATOM 109 C ASP A 7 -3.381 -8.319 -6.286 1.00 0.00 C ATOM 110 O ASP A 7 -4.087 -7.498 -6.870 1.00 0.00 O ATOM 111 CB ASP A 7 -3.963 -10.484 -7.392 1.00 0.00 C ATOM 112 CG ASP A 7 -2.630 -10.573 -8.110 1.00 0.00 C ATOM 113 OD1 ASP A 7 -1.743 -11.306 -7.625 1.00 0.00 O ATOM 114 OD2 ASP A 7 -2.474 -9.909 -9.156 1.00 0.00 O ATOM 0 H ASP A 7 -5.954 -9.605 -5.943 1.00 0.00 H new ATOM 0 HA ASP A 7 -3.123 -10.249 -5.421 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -4.349 -11.489 -7.222 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -4.682 -9.970 -8.029 1.00 0.00 H new ATOM 119 N MET A 8 -2.171 -8.038 -5.814 1.00 0.00 N ATOM 120 CA MET A 8 -1.562 -6.716 -5.947 1.00 0.00 C ATOM 121 C MET A 8 -0.144 -6.827 -6.499 1.00 0.00 C ATOM 122 O MET A 8 0.458 -7.900 -6.459 1.00 0.00 O ATOM 123 CB MET A 8 -1.560 -6.015 -4.587 1.00 0.00 C ATOM 124 CG MET A 8 -2.697 -6.468 -3.710 1.00 0.00 C ATOM 125 SD MET A 8 -4.270 -5.924 -4.374 1.00 0.00 S ATOM 126 CE MET A 8 -4.882 -5.065 -2.945 1.00 0.00 C ATOM 0 H MET A 8 -1.585 -8.717 -5.329 1.00 0.00 H new ATOM 0 HA MET A 8 -2.148 -6.125 -6.651 1.00 0.00 H new ATOM 0 HB2 MET A 8 -0.614 -6.210 -4.082 1.00 0.00 H new ATOM 0 HB3 MET A 8 -1.626 -4.937 -4.736 1.00 0.00 H new ATOM 0 HG2 MET A 8 -2.688 -7.555 -3.628 1.00 0.00 H new ATOM 0 HG3 MET A 8 -2.566 -6.072 -2.703 1.00 0.00 H new ATOM 0 HE1 MET A 8 -5.968 -5.145 -2.910 1.00 0.00 H new ATOM 0 HE2 MET A 8 -4.456 -5.507 -2.044 1.00 0.00 H new ATOM 0 HE3 MET A 8 -4.598 -4.014 -3.003 1.00 0.00 H new ATOM 136 N THR A 9 0.398 -5.721 -6.996 1.00 0.00 N ATOM 137 CA THR A 9 1.756 -5.731 -7.523 1.00 0.00 C ATOM 138 C THR A 9 2.756 -5.563 -6.378 1.00 0.00 C ATOM 139 O THR A 9 2.384 -5.146 -5.281 1.00 0.00 O ATOM 140 CB THR A 9 1.950 -4.651 -8.598 1.00 0.00 C ATOM 141 OG1 THR A 9 3.152 -4.870 -9.313 1.00 0.00 O ATOM 142 CG2 THR A 9 1.996 -3.238 -8.058 1.00 0.00 C ATOM 0 H THR A 9 -0.075 -4.818 -7.045 1.00 0.00 H new ATOM 0 HA THR A 9 1.934 -6.692 -8.005 1.00 0.00 H new ATOM 0 HB THR A 9 1.073 -4.739 -9.240 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.913 -4.822 -8.697 1.00 0.00 H new ATOM 0 HG21 THR A 9 2.135 -2.538 -8.882 1.00 0.00 H new ATOM 0 HG22 THR A 9 1.061 -3.014 -7.546 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.825 -3.143 -7.357 1.00 0.00 H new ATOM 150 N ASP A 10 4.009 -5.931 -6.632 1.00 0.00 N ATOM 151 CA ASP A 10 5.078 -5.873 -5.624 1.00 0.00 C ATOM 152 C ASP A 10 4.873 -4.771 -4.577 1.00 0.00 C ATOM 153 O ASP A 10 4.590 -5.058 -3.415 1.00 0.00 O ATOM 154 CB ASP A 10 6.437 -5.690 -6.307 1.00 0.00 C ATOM 155 CG ASP A 10 6.360 -4.822 -7.549 1.00 0.00 C ATOM 156 OD1 ASP A 10 5.741 -5.259 -8.542 1.00 0.00 O ATOM 157 OD2 ASP A 10 6.918 -3.704 -7.528 1.00 0.00 O ATOM 0 H ASP A 10 4.318 -6.278 -7.540 1.00 0.00 H new ATOM 0 HA ASP A 10 5.047 -6.823 -5.090 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.136 -5.243 -5.600 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.837 -6.667 -6.577 1.00 0.00 H new ATOM 162 N GLN A 11 5.041 -3.519 -4.981 1.00 0.00 N ATOM 163 CA GLN A 11 4.897 -2.390 -4.060 1.00 0.00 C ATOM 164 C GLN A 11 3.465 -2.243 -3.541 1.00 0.00 C ATOM 165 O GLN A 11 3.251 -1.815 -2.410 1.00 0.00 O ATOM 166 CB GLN A 11 5.334 -1.095 -4.744 1.00 0.00 C ATOM 167 CG GLN A 11 4.556 -0.781 -6.012 1.00 0.00 C ATOM 168 CD GLN A 11 3.507 0.293 -5.801 1.00 0.00 C ATOM 169 OE1 GLN A 11 3.723 1.250 -5.057 1.00 0.00 O ATOM 170 NE2 GLN A 11 2.363 0.138 -6.456 1.00 0.00 N ATOM 0 H GLN A 11 5.277 -3.256 -5.938 1.00 0.00 H new ATOM 0 HA GLN A 11 5.539 -2.590 -3.202 1.00 0.00 H new ATOM 0 HB2 GLN A 11 5.219 -0.268 -4.044 1.00 0.00 H new ATOM 0 HB3 GLN A 11 6.395 -1.162 -4.986 1.00 0.00 H new ATOM 0 HG2 GLN A 11 5.249 -0.459 -6.789 1.00 0.00 H new ATOM 0 HG3 GLN A 11 4.073 -1.690 -6.372 1.00 0.00 H new ATOM 0 HE21 GLN A 11 2.228 -0.671 -7.062 1.00 0.00 H new ATOM 0 HE22 GLN A 11 1.619 0.828 -6.353 1.00 0.00 H new ATOM 179 N GLN A 12 2.494 -2.566 -4.383 1.00 0.00 N ATOM 180 CA GLN A 12 1.081 -2.438 -4.025 1.00 0.00 C ATOM 181 C GLN A 12 0.717 -3.187 -2.739 1.00 0.00 C ATOM 182 O GLN A 12 0.060 -2.630 -1.859 1.00 0.00 O ATOM 183 CB GLN A 12 0.213 -2.951 -5.176 1.00 0.00 C ATOM 184 CG GLN A 12 -1.144 -2.277 -5.275 1.00 0.00 C ATOM 185 CD GLN A 12 -1.082 -0.941 -5.988 1.00 0.00 C ATOM 186 OE1 GLN A 12 -1.286 -0.861 -7.199 1.00 0.00 O ATOM 187 NE2 GLN A 12 -0.799 0.117 -5.238 1.00 0.00 N ATOM 0 H GLN A 12 2.656 -2.921 -5.325 1.00 0.00 H new ATOM 0 HA GLN A 12 0.894 -1.380 -3.842 1.00 0.00 H new ATOM 0 HB2 GLN A 12 0.749 -2.805 -6.114 1.00 0.00 H new ATOM 0 HB3 GLN A 12 0.066 -4.024 -5.056 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -1.834 -2.935 -5.803 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -1.547 -2.131 -4.273 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.637 0.004 -4.237 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -0.744 1.043 -5.662 1.00 0.00 H new ATOM 196 N HIS A 13 1.113 -4.452 -2.641 1.00 0.00 N ATOM 197 CA HIS A 13 0.783 -5.264 -1.467 1.00 0.00 C ATOM 198 C HIS A 13 1.566 -4.848 -0.224 1.00 0.00 C ATOM 199 O HIS A 13 1.077 -4.986 0.892 1.00 0.00 O ATOM 200 CB HIS A 13 1.036 -6.744 -1.758 1.00 0.00 C ATOM 201 CG HIS A 13 0.603 -7.654 -0.648 1.00 0.00 C ATOM 202 ND1 HIS A 13 0.920 -8.996 -0.605 1.00 0.00 N ATOM 203 CD2 HIS A 13 -0.125 -7.407 0.468 1.00 0.00 C ATOM 204 CE1 HIS A 13 0.405 -9.534 0.486 1.00 0.00 C ATOM 205 NE2 HIS A 13 -0.233 -8.591 1.154 1.00 0.00 N ATOM 0 H HIS A 13 1.659 -4.938 -3.353 1.00 0.00 H new ATOM 0 HA HIS A 13 -0.274 -5.099 -1.259 1.00 0.00 H new ATOM 0 HB2 HIS A 13 0.510 -7.022 -2.671 1.00 0.00 H new ATOM 0 HB3 HIS A 13 2.099 -6.893 -1.945 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -0.543 -6.456 0.763 1.00 0.00 H new ATOM 0 HE1 HIS A 13 0.491 -10.569 0.781 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -0.726 -8.721 2.037 1.00 0.00 H new ATOM 214 N GLN A 14 2.778 -4.354 -0.412 1.00 0.00 N ATOM 215 CA GLN A 14 3.611 -3.944 0.713 1.00 0.00 C ATOM 216 C GLN A 14 3.258 -2.539 1.176 1.00 0.00 C ATOM 217 O GLN A 14 3.320 -2.233 2.366 1.00 0.00 O ATOM 218 CB GLN A 14 5.091 -4.009 0.334 1.00 0.00 C ATOM 219 CG GLN A 14 5.496 -5.317 -0.325 1.00 0.00 C ATOM 220 CD GLN A 14 6.991 -5.414 -0.554 1.00 0.00 C ATOM 221 OE1 GLN A 14 7.728 -5.930 0.286 1.00 0.00 O ATOM 222 NE2 GLN A 14 7.449 -4.918 -1.698 1.00 0.00 N ATOM 0 H GLN A 14 3.209 -4.226 -1.328 1.00 0.00 H new ATOM 0 HA GLN A 14 3.422 -4.634 1.535 1.00 0.00 H new ATOM 0 HB2 GLN A 14 5.320 -3.185 -0.342 1.00 0.00 H new ATOM 0 HB3 GLN A 14 5.693 -3.862 1.231 1.00 0.00 H new ATOM 0 HG2 GLN A 14 5.173 -6.150 0.299 1.00 0.00 H new ATOM 0 HG3 GLN A 14 4.979 -5.415 -1.279 1.00 0.00 H new ATOM 0 HE21 GLN A 14 6.803 -4.499 -2.367 1.00 0.00 H new ATOM 0 HE22 GLN A 14 8.447 -4.956 -1.907 1.00 0.00 H new ATOM 231 N SER A 15 2.890 -1.689 0.231 1.00 0.00 N ATOM 232 CA SER A 15 2.530 -0.315 0.541 1.00 0.00 C ATOM 233 C SER A 15 1.330 -0.271 1.478 1.00 0.00 C ATOM 234 O SER A 15 1.338 0.444 2.480 1.00 0.00 O ATOM 235 CB SER A 15 2.220 0.456 -0.745 1.00 0.00 C ATOM 236 OG SER A 15 1.486 1.637 -0.470 1.00 0.00 O ATOM 0 H SER A 15 2.833 -1.927 -0.759 1.00 0.00 H new ATOM 0 HA SER A 15 3.377 0.156 1.040 1.00 0.00 H new ATOM 0 HB2 SER A 15 3.150 0.713 -1.252 1.00 0.00 H new ATOM 0 HB3 SER A 15 1.651 -0.179 -1.425 1.00 0.00 H new ATOM 0 HG SER A 15 1.303 2.111 -1.308 1.00 0.00 H new ATOM 242 N LEU A 16 0.298 -1.035 1.142 1.00 0.00 N ATOM 243 CA LEU A 16 -0.913 -1.077 1.949 1.00 0.00 C ATOM 244 C LEU A 16 -0.769 -2.014 3.148 1.00 0.00 C ATOM 245 O LEU A 16 -1.255 -1.708 4.236 1.00 0.00 O ATOM 246 CB LEU A 16 -2.115 -1.486 1.086 1.00 0.00 C ATOM 247 CG LEU A 16 -2.480 -2.973 1.105 1.00 0.00 C ATOM 248 CD1 LEU A 16 -3.591 -3.227 2.108 1.00 0.00 C ATOM 249 CD2 LEU A 16 -2.892 -3.440 -0.281 1.00 0.00 C ATOM 0 H LEU A 16 0.276 -1.633 0.316 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.082 -0.074 2.341 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.984 -0.915 1.414 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.913 -1.195 0.055 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.602 -3.543 1.408 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.842 -4.288 2.112 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.259 -2.929 3.102 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.471 -2.647 1.830 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.148 -4.499 -0.247 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -3.758 -2.868 -0.615 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.067 -3.288 -0.976 1.00 0.00 H new ATOM 261 N LYS A 17 -0.114 -3.158 2.951 1.00 0.00 N ATOM 262 CA LYS A 17 0.051 -4.110 4.045 1.00 0.00 C ATOM 263 C LYS A 17 0.959 -3.542 5.126 1.00 0.00 C ATOM 264 O LYS A 17 0.739 -3.764 6.317 1.00 0.00 O ATOM 265 CB LYS A 17 0.568 -5.452 3.531 1.00 0.00 C ATOM 266 CG LYS A 17 2.066 -5.520 3.368 1.00 0.00 C ATOM 267 CD LYS A 17 2.739 -6.007 4.639 1.00 0.00 C ATOM 268 CE LYS A 17 3.073 -7.488 4.561 1.00 0.00 C ATOM 269 NZ LYS A 17 1.879 -8.341 4.816 1.00 0.00 N ATOM 0 H LYS A 17 0.302 -3.443 2.064 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.928 -4.285 4.492 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.253 -6.237 4.219 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.100 -5.664 2.570 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.314 -6.189 2.544 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.450 -4.534 3.105 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.651 -5.436 4.810 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.084 -5.825 5.491 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.479 -7.717 3.576 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.850 -7.724 5.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.165 -9.341 4.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.456 -8.082 5.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.181 -8.197 4.058 1.00 0.00 H new ATOM 283 N ALA A 18 1.969 -2.798 4.704 1.00 0.00 N ATOM 284 CA ALA A 18 2.900 -2.182 5.637 1.00 0.00 C ATOM 285 C ALA A 18 2.186 -1.161 6.518 1.00 0.00 C ATOM 286 O ALA A 18 2.546 -0.969 7.679 1.00 0.00 O ATOM 287 CB ALA A 18 4.049 -1.524 4.888 1.00 0.00 C ATOM 0 H ALA A 18 2.165 -2.606 3.722 1.00 0.00 H new ATOM 0 HA ALA A 18 3.306 -2.964 6.278 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.735 -1.068 5.602 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.580 -2.275 4.303 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.656 -0.756 4.221 1.00 0.00 H new ATOM 293 N LEU A 19 1.170 -0.510 5.956 1.00 0.00 N ATOM 294 CA LEU A 19 0.403 0.493 6.689 1.00 0.00 C ATOM 295 C LEU A 19 -0.450 -0.155 7.774 1.00 0.00 C ATOM 296 O LEU A 19 -0.647 0.417 8.846 1.00 0.00 O ATOM 297 CB LEU A 19 -0.485 1.286 5.727 1.00 0.00 C ATOM 298 CG LEU A 19 0.071 2.651 5.322 1.00 0.00 C ATOM 299 CD1 LEU A 19 -0.133 2.893 3.835 1.00 0.00 C ATOM 300 CD2 LEU A 19 -0.583 3.757 6.138 1.00 0.00 C ATOM 0 H LEU A 19 0.859 -0.659 4.996 1.00 0.00 H new ATOM 0 HA LEU A 19 1.107 1.173 7.169 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.643 0.692 4.827 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.461 1.429 6.190 1.00 0.00 H new ATOM 0 HG LEU A 19 1.142 2.659 5.526 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.269 3.870 3.567 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.383 2.119 3.266 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.198 2.864 3.604 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.175 4.722 5.836 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.659 3.748 5.966 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.384 3.594 7.197 1.00 0.00 H new ATOM 312 N ALA A 20 -0.955 -1.352 7.490 1.00 0.00 N ATOM 313 CA ALA A 20 -1.786 -2.077 8.444 1.00 0.00 C ATOM 314 C ALA A 20 -1.050 -2.280 9.763 1.00 0.00 C ATOM 315 O ALA A 20 -1.584 -1.996 10.835 1.00 0.00 O ATOM 316 CB ALA A 20 -2.203 -3.419 7.862 1.00 0.00 C ATOM 0 H ALA A 20 -0.803 -1.840 6.607 1.00 0.00 H new ATOM 0 HA ALA A 20 -2.679 -1.483 8.640 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -2.823 -3.951 8.583 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.770 -3.258 6.945 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -1.315 -4.011 7.640 1.00 0.00 H new ATOM 322 N ALA A 21 0.185 -2.766 9.675 1.00 0.00 N ATOM 323 CA ALA A 21 1.002 -3.001 10.851 1.00 0.00 C ATOM 324 C ALA A 21 1.452 -1.683 11.459 1.00 0.00 C ATOM 325 O ALA A 21 1.634 -1.573 12.671 1.00 0.00 O ATOM 326 CB ALA A 21 2.203 -3.862 10.495 1.00 0.00 C ATOM 0 H ALA A 21 0.640 -3.004 8.794 1.00 0.00 H new ATOM 0 HA ALA A 21 0.402 -3.532 11.590 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.807 -4.030 11.387 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.861 -4.820 10.103 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.804 -3.354 9.740 1.00 0.00 H new ATOM 332 N LEU A 22 1.629 -0.683 10.603 1.00 0.00 N ATOM 333 CA LEU A 22 2.057 0.630 11.050 1.00 0.00 C ATOM 334 C LEU A 22 0.964 1.298 11.878 1.00 0.00 C ATOM 335 O LEU A 22 1.242 1.972 12.869 1.00 0.00 O ATOM 336 CB LEU A 22 2.426 1.509 9.852 1.00 0.00 C ATOM 337 CG LEU A 22 3.920 1.792 9.694 1.00 0.00 C ATOM 338 CD1 LEU A 22 4.649 0.550 9.207 1.00 0.00 C ATOM 339 CD2 LEU A 22 4.143 2.953 8.736 1.00 0.00 C ATOM 0 H LEU A 22 1.482 -0.760 9.597 1.00 0.00 H new ATOM 0 HA LEU A 22 2.940 0.507 11.677 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.064 1.028 8.943 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.899 2.459 9.942 1.00 0.00 H new ATOM 0 HG LEU A 22 4.324 2.067 10.668 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.711 0.770 9.100 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.516 -0.256 9.928 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.243 0.244 8.243 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.212 3.141 8.635 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.724 2.705 7.761 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.653 3.845 9.125 1.00 0.00 H new ATOM 351 N GLN A 23 -0.283 1.099 11.460 1.00 0.00 N ATOM 352 CA GLN A 23 -1.426 1.675 12.156 1.00 0.00 C ATOM 353 C GLN A 23 -1.672 0.962 13.484 1.00 0.00 C ATOM 354 O GLN A 23 -2.207 1.550 14.425 1.00 0.00 O ATOM 355 CB GLN A 23 -2.673 1.592 11.273 1.00 0.00 C ATOM 356 CG GLN A 23 -3.220 2.950 10.867 1.00 0.00 C ATOM 357 CD GLN A 23 -4.735 2.989 10.855 1.00 0.00 C ATOM 358 OE1 GLN A 23 -5.346 2.574 11.958 1.00 0.00 O flip ATOM 359 NE2 GLN A 23 -5.350 3.387 9.865 1.00 0.00 N flip ATOM 0 H GLN A 23 -0.526 0.542 10.641 1.00 0.00 H new ATOM 0 HA GLN A 23 -1.207 2.722 12.368 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -2.435 1.022 10.375 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -3.449 1.041 11.805 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -2.846 3.708 11.555 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -2.846 3.207 9.876 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -4.840 3.697 9.038 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -6.370 3.407 9.872 1.00 0.00 H new ATOM 368 N GLY A 24 -1.273 -0.305 13.556 1.00 0.00 N ATOM 369 CA GLY A 24 -1.458 -1.075 14.774 1.00 0.00 C ATOM 370 C GLY A 24 -2.384 -2.259 14.580 1.00 0.00 C ATOM 371 O GLY A 24 -3.099 -2.654 15.502 1.00 0.00 O ATOM 0 H GLY A 24 -0.825 -0.812 12.793 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.489 -1.430 15.126 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.861 -0.427 15.552 1.00 0.00 H new ATOM 375 N LYS A 25 -2.375 -2.827 13.378 1.00 0.00 N ATOM 376 CA LYS A 25 -3.222 -3.972 13.066 1.00 0.00 C ATOM 377 C LYS A 25 -2.691 -4.720 11.846 1.00 0.00 C ATOM 378 O LYS A 25 -1.612 -4.416 11.342 1.00 0.00 O ATOM 379 CB LYS A 25 -4.659 -3.510 12.819 1.00 0.00 C ATOM 380 CG LYS A 25 -4.761 -2.316 11.882 1.00 0.00 C ATOM 381 CD LYS A 25 -5.989 -1.474 12.184 1.00 0.00 C ATOM 382 CE LYS A 25 -5.886 -0.810 13.548 1.00 0.00 C ATOM 383 NZ LYS A 25 -6.807 0.354 13.671 1.00 0.00 N ATOM 0 H LYS A 25 -1.790 -2.512 12.604 1.00 0.00 H new ATOM 0 HA LYS A 25 -3.210 -4.653 13.917 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -5.232 -4.338 12.402 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -5.118 -3.253 13.773 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.865 -1.702 11.975 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.802 -2.665 10.850 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -6.107 -0.711 11.414 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -6.880 -2.102 12.150 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.117 -1.539 14.325 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.860 -0.480 13.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -6.885 0.631 14.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -6.433 1.152 13.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -7.747 0.093 13.309 1.00 0.00 H new ATOM 397 N THR A 26 -3.455 -5.701 11.374 1.00 0.00 N ATOM 398 CA THR A 26 -3.053 -6.484 10.211 1.00 0.00 C ATOM 399 C THR A 26 -3.805 -6.028 8.965 1.00 0.00 C ATOM 400 O THR A 26 -4.962 -5.615 9.044 1.00 0.00 O ATOM 401 CB THR A 26 -3.310 -7.973 10.458 1.00 0.00 C ATOM 402 OG1 THR A 26 -4.694 -8.263 10.372 1.00 0.00 O ATOM 403 CG2 THR A 26 -2.825 -8.447 11.811 1.00 0.00 C ATOM 0 H THR A 26 -4.352 -5.971 11.777 1.00 0.00 H new ATOM 0 HA THR A 26 -1.986 -6.328 10.050 1.00 0.00 H new ATOM 0 HB THR A 26 -2.748 -8.496 9.685 1.00 0.00 H new ATOM 0 HG1 THR A 26 -4.838 -9.219 10.531 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.038 -9.510 11.922 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.751 -8.282 11.891 1.00 0.00 H new ATOM 0 HG23 THR A 26 -3.337 -7.891 12.596 1.00 0.00 H new ATOM 411 N ILE A 27 -3.142 -6.103 7.813 1.00 0.00 N ATOM 412 CA ILE A 27 -3.754 -5.695 6.551 1.00 0.00 C ATOM 413 C ILE A 27 -5.102 -6.378 6.350 1.00 0.00 C ATOM 414 O ILE A 27 -6.056 -5.759 5.883 1.00 0.00 O ATOM 415 CB ILE A 27 -2.825 -5.977 5.344 1.00 0.00 C ATOM 416 CG1 ILE A 27 -3.596 -5.932 4.018 1.00 0.00 C ATOM 417 CG2 ILE A 27 -2.098 -7.301 5.503 1.00 0.00 C ATOM 418 CD1 ILE A 27 -2.778 -6.357 2.815 1.00 0.00 C ATOM 0 H ILE A 27 -2.184 -6.442 7.728 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.913 -4.618 6.607 1.00 0.00 H new ATOM 0 HB ILE A 27 -2.077 -5.185 5.320 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -4.471 -6.577 4.096 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -3.961 -4.918 3.856 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.455 -7.469 4.639 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.491 -7.277 6.408 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.826 -8.109 5.576 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.393 -6.298 1.917 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.917 -5.697 2.709 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.434 -7.382 2.952 1.00 0.00 H new ATOM 430 N LYS A 28 -5.187 -7.649 6.727 1.00 0.00 N ATOM 431 CA LYS A 28 -6.438 -8.384 6.600 1.00 0.00 C ATOM 432 C LYS A 28 -7.538 -7.702 7.414 1.00 0.00 C ATOM 433 O LYS A 28 -8.722 -7.984 7.237 1.00 0.00 O ATOM 434 CB LYS A 28 -6.253 -9.834 7.045 1.00 0.00 C ATOM 435 CG LYS A 28 -5.695 -10.725 5.947 1.00 0.00 C ATOM 436 CD LYS A 28 -4.804 -11.815 6.509 1.00 0.00 C ATOM 437 CE LYS A 28 -5.512 -13.161 6.518 1.00 0.00 C ATOM 438 NZ LYS A 28 -4.647 -14.241 7.065 1.00 0.00 N ATOM 0 H LYS A 28 -4.413 -8.186 7.119 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.738 -8.386 5.552 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.583 -9.862 7.904 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.212 -10.232 7.376 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.517 -11.177 5.392 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.128 -10.120 5.240 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.893 -11.885 5.914 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.503 -11.554 7.523 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.422 -13.088 7.114 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.815 -13.418 5.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.167 -15.142 7.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.790 -14.328 6.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.378 -14.009 8.042 1.00 0.00 H new ATOM 452 N GLN A 29 -7.127 -6.792 8.295 1.00 0.00 N ATOM 453 CA GLN A 29 -8.053 -6.040 9.130 1.00 0.00 C ATOM 454 C GLN A 29 -8.208 -4.626 8.593 1.00 0.00 C ATOM 455 O GLN A 29 -9.300 -4.192 8.227 1.00 0.00 O ATOM 456 CB GLN A 29 -7.521 -5.959 10.559 1.00 0.00 C ATOM 457 CG GLN A 29 -8.553 -6.311 11.619 1.00 0.00 C ATOM 458 CD GLN A 29 -8.238 -7.610 12.332 1.00 0.00 C ATOM 459 OE1 GLN A 29 -7.824 -7.611 13.492 1.00 0.00 O ATOM 460 NE2 GLN A 29 -8.432 -8.728 11.642 1.00 0.00 N ATOM 0 H GLN A 29 -6.146 -6.558 8.448 1.00 0.00 H new ATOM 0 HA GLN A 29 -9.017 -6.549 9.120 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.668 -6.631 10.658 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -7.154 -4.949 10.744 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -8.607 -5.504 12.350 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -9.536 -6.386 11.153 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.776 -8.682 10.683 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -8.237 -9.633 12.071 1.00 0.00 H new ATOM 469 N TYR A 30 -7.090 -3.915 8.575 1.00 0.00 N ATOM 470 CA TYR A 30 -7.046 -2.538 8.114 1.00 0.00 C ATOM 471 C TYR A 30 -7.523 -2.413 6.663 1.00 0.00 C ATOM 472 O TYR A 30 -8.398 -1.603 6.359 1.00 0.00 O ATOM 473 CB TYR A 30 -5.615 -2.018 8.263 1.00 0.00 C ATOM 474 CG TYR A 30 -5.285 -0.853 7.372 1.00 0.00 C ATOM 475 CD1 TYR A 30 -5.861 0.385 7.590 1.00 0.00 C ATOM 476 CD2 TYR A 30 -4.400 -0.998 6.318 1.00 0.00 C ATOM 477 CE1 TYR A 30 -5.563 1.462 6.775 1.00 0.00 C ATOM 478 CE2 TYR A 30 -4.093 0.069 5.496 1.00 0.00 C ATOM 479 CZ TYR A 30 -4.677 1.298 5.728 1.00 0.00 C ATOM 480 OH TYR A 30 -4.377 2.364 4.912 1.00 0.00 O ATOM 0 H TYR A 30 -6.187 -4.279 8.880 1.00 0.00 H new ATOM 0 HA TYR A 30 -7.723 -1.938 8.721 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -5.454 -1.724 9.300 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -4.921 -2.831 8.050 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -6.554 0.513 8.409 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -3.943 -1.959 6.135 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -6.020 2.424 6.956 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -3.400 -0.058 4.677 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.737 2.081 4.226 1.00 0.00 H new ATOM 490 N ALA A 31 -6.958 -3.227 5.778 1.00 0.00 N ATOM 491 CA ALA A 31 -7.342 -3.212 4.373 1.00 0.00 C ATOM 492 C ALA A 31 -8.770 -3.689 4.218 1.00 0.00 C ATOM 493 O ALA A 31 -9.522 -3.203 3.375 1.00 0.00 O ATOM 494 CB ALA A 31 -6.397 -4.081 3.557 1.00 0.00 C ATOM 0 H ALA A 31 -6.232 -3.905 6.010 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.275 -2.189 4.002 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.697 -4.060 2.509 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -5.380 -3.700 3.651 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.436 -5.106 3.925 1.00 0.00 H new ATOM 500 N LEU A 32 -9.123 -4.658 5.045 1.00 0.00 N ATOM 501 CA LEU A 32 -10.447 -5.242 5.029 1.00 0.00 C ATOM 502 C LEU A 32 -11.522 -4.185 5.280 1.00 0.00 C ATOM 503 O LEU A 32 -12.497 -4.085 4.537 1.00 0.00 O ATOM 504 CB LEU A 32 -10.521 -6.343 6.088 1.00 0.00 C ATOM 505 CG LEU A 32 -11.922 -6.695 6.604 1.00 0.00 C ATOM 506 CD1 LEU A 32 -12.732 -7.393 5.523 1.00 0.00 C ATOM 507 CD2 LEU A 32 -11.825 -7.568 7.846 1.00 0.00 C ATOM 0 H LEU A 32 -8.499 -5.060 5.744 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.632 -5.668 4.043 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -10.071 -7.246 5.675 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.909 -6.042 6.938 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.434 -5.770 6.870 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -13.722 -7.634 5.909 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -12.830 -6.735 4.659 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -12.226 -8.311 5.224 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.827 -7.809 8.200 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.294 -8.489 7.603 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.284 -7.032 8.626 1.00 0.00 H new ATOM 519 N GLU A 33 -11.340 -3.414 6.345 1.00 0.00 N ATOM 520 CA GLU A 33 -12.294 -2.376 6.722 1.00 0.00 C ATOM 521 C GLU A 33 -12.479 -1.339 5.621 1.00 0.00 C ATOM 522 O GLU A 33 -13.531 -0.708 5.522 1.00 0.00 O ATOM 523 CB GLU A 33 -11.834 -1.680 8.003 1.00 0.00 C ATOM 524 CG GLU A 33 -12.005 -2.528 9.253 1.00 0.00 C ATOM 525 CD GLU A 33 -13.430 -2.516 9.774 1.00 0.00 C ATOM 526 OE1 GLU A 33 -14.363 -2.657 8.956 1.00 0.00 O ATOM 527 OE2 GLU A 33 -13.611 -2.366 11.001 1.00 0.00 O ATOM 0 H GLU A 33 -10.535 -3.488 6.967 1.00 0.00 H new ATOM 0 HA GLU A 33 -13.254 -2.865 6.887 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.784 -1.407 7.901 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -12.394 -0.753 8.124 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -11.710 -3.554 9.035 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -11.334 -2.162 10.031 1.00 0.00 H new ATOM 534 N ARG A 34 -11.451 -1.153 4.811 1.00 0.00 N ATOM 535 CA ARG A 34 -11.504 -0.171 3.735 1.00 0.00 C ATOM 536 C ARG A 34 -12.229 -0.711 2.506 1.00 0.00 C ATOM 537 O ARG A 34 -12.652 0.057 1.642 1.00 0.00 O ATOM 538 CB ARG A 34 -10.097 0.292 3.377 1.00 0.00 C ATOM 539 CG ARG A 34 -9.516 1.242 4.408 1.00 0.00 C ATOM 540 CD ARG A 34 -8.320 2.000 3.865 1.00 0.00 C ATOM 541 NE ARG A 34 -8.599 3.429 3.729 1.00 0.00 N ATOM 542 CZ ARG A 34 -7.757 4.396 4.092 1.00 0.00 C ATOM 543 NH1 ARG A 34 -6.568 4.102 4.608 1.00 0.00 N ATOM 544 NH2 ARG A 34 -8.105 5.665 3.935 1.00 0.00 N ATOM 0 H ARG A 34 -10.571 -1.666 4.875 1.00 0.00 H new ATOM 0 HA ARG A 34 -12.077 0.685 4.092 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -9.446 -0.577 3.281 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -10.117 0.784 2.405 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -10.283 1.950 4.723 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -9.219 0.680 5.293 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -7.467 1.858 4.529 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -8.040 1.590 2.895 1.00 0.00 H new ATOM 0 HE ARG A 34 -9.497 3.704 3.330 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -6.292 3.128 4.730 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -5.932 4.851 4.882 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -9.015 5.899 3.537 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -7.463 6.408 4.212 1.00 0.00 H new ATOM 558 N LEU A 35 -12.391 -2.027 2.441 1.00 0.00 N ATOM 559 CA LEU A 35 -13.092 -2.654 1.336 1.00 0.00 C ATOM 560 C LEU A 35 -14.598 -2.481 1.511 1.00 0.00 C ATOM 561 O LEU A 35 -15.358 -2.534 0.545 1.00 0.00 O ATOM 562 CB LEU A 35 -12.736 -4.138 1.263 1.00 0.00 C ATOM 563 CG LEU A 35 -11.269 -4.436 0.955 1.00 0.00 C ATOM 564 CD1 LEU A 35 -11.068 -5.923 0.714 1.00 0.00 C ATOM 565 CD2 LEU A 35 -10.810 -3.630 -0.247 1.00 0.00 C ATOM 0 H LEU A 35 -12.044 -2.679 3.144 1.00 0.00 H new ATOM 0 HA LEU A 35 -12.788 -2.176 0.405 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -12.994 -4.605 2.213 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -13.355 -4.607 0.498 1.00 0.00 H new ATOM 0 HG LEU A 35 -10.666 -4.146 1.815 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -10.018 -6.118 0.496 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -11.363 -6.479 1.604 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -11.679 -6.240 -0.131 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -9.763 -3.852 -0.456 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -11.416 -3.892 -1.114 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -10.920 -2.566 -0.036 1.00 0.00 H new ATOM 618 N ASP A 39 -19.136 5.308 6.993 1.00 0.00 N ATOM 619 CA ASP A 39 -19.912 5.564 8.202 1.00 0.00 C ATOM 620 C ASP A 39 -19.501 6.885 8.844 1.00 0.00 C ATOM 621 O ASP A 39 -18.456 7.449 8.518 1.00 0.00 O ATOM 622 CB ASP A 39 -19.729 4.418 9.201 1.00 0.00 C ATOM 623 CG ASP A 39 -20.816 3.368 9.078 1.00 0.00 C ATOM 624 OD1 ASP A 39 -21.917 3.585 9.625 1.00 0.00 O ATOM 625 OD2 ASP A 39 -20.565 2.327 8.435 1.00 0.00 O ATOM 0 HA ASP A 39 -20.963 5.630 7.922 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -18.757 3.952 9.041 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -19.728 4.819 10.214 1.00 0.00 H new ATOM 630 N ALA A 40 -20.331 7.374 9.759 1.00 0.00 N ATOM 631 CA ALA A 40 -20.058 8.629 10.450 1.00 0.00 C ATOM 632 C ALA A 40 -18.771 8.548 11.269 1.00 0.00 C ATOM 633 O ALA A 40 -18.211 9.573 11.658 1.00 0.00 O ATOM 634 CB ALA A 40 -21.230 9.004 11.344 1.00 0.00 C ATOM 0 H ALA A 40 -21.200 6.919 10.040 1.00 0.00 H new ATOM 0 HA ALA A 40 -19.924 9.404 9.695 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -21.013 9.943 11.854 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -22.128 9.120 10.737 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -21.390 8.219 12.083 1.00 0.00 H new ATOM 640 N ASP A 41 -18.308 7.330 11.533 1.00 0.00 N ATOM 641 CA ASP A 41 -17.089 7.126 12.309 1.00 0.00 C ATOM 642 C ASP A 41 -15.913 7.876 11.690 1.00 0.00 C ATOM 643 O ASP A 41 -15.062 8.408 12.403 1.00 0.00 O ATOM 644 CB ASP A 41 -16.765 5.635 12.408 1.00 0.00 C ATOM 645 CG ASP A 41 -17.902 4.836 13.013 1.00 0.00 C ATOM 646 OD1 ASP A 41 -19.071 5.111 12.669 1.00 0.00 O ATOM 647 OD2 ASP A 41 -17.623 3.934 13.832 1.00 0.00 O ATOM 0 H ASP A 41 -18.758 6.469 11.221 1.00 0.00 H new ATOM 0 HA ASP A 41 -17.258 7.521 13.311 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -16.541 5.248 11.414 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -15.868 5.500 13.012 1.00 0.00 H new ATOM 652 N ALA A 42 -15.868 7.913 10.363 1.00 0.00 N ATOM 653 CA ALA A 42 -14.794 8.596 9.653 1.00 0.00 C ATOM 654 C ALA A 42 -14.914 10.111 9.790 1.00 0.00 C ATOM 655 O ALA A 42 -13.917 10.831 9.710 1.00 0.00 O ATOM 656 CB ALA A 42 -14.794 8.198 8.184 1.00 0.00 C ATOM 0 H ALA A 42 -16.564 7.478 9.757 1.00 0.00 H new ATOM 0 HA ALA A 42 -13.849 8.292 10.103 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -13.986 8.716 7.667 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -14.648 7.121 8.099 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -15.748 8.471 7.733 1.00 0.00 H new ATOM 662 N ASP A 43 -16.137 10.591 9.993 1.00 0.00 N ATOM 663 CA ASP A 43 -16.386 12.021 10.137 1.00 0.00 C ATOM 664 C ASP A 43 -15.573 12.612 11.288 1.00 0.00 C ATOM 665 O ASP A 43 -15.263 13.803 11.291 1.00 0.00 O ATOM 666 CB ASP A 43 -17.878 12.280 10.359 1.00 0.00 C ATOM 667 CG ASP A 43 -18.473 13.186 9.298 1.00 0.00 C ATOM 668 OD1 ASP A 43 -18.388 14.422 9.457 1.00 0.00 O ATOM 669 OD2 ASP A 43 -19.022 12.659 8.308 1.00 0.00 O ATOM 0 H ASP A 43 -16.972 10.009 10.062 1.00 0.00 H new ATOM 0 HA ASP A 43 -16.072 12.510 9.215 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -18.412 11.330 10.362 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -18.023 12.731 11.341 1.00 0.00 H new ATOM 674 N GLN A 44 -15.232 11.776 12.263 1.00 0.00 N ATOM 675 CA GLN A 44 -14.458 12.226 13.416 1.00 0.00 C ATOM 676 C GLN A 44 -13.078 11.572 13.444 1.00 0.00 C ATOM 677 O GLN A 44 -12.121 12.143 13.967 1.00 0.00 O ATOM 678 CB GLN A 44 -15.208 11.917 14.714 1.00 0.00 C ATOM 679 CG GLN A 44 -15.729 10.491 14.791 1.00 0.00 C ATOM 680 CD GLN A 44 -15.407 9.823 16.113 1.00 0.00 C ATOM 681 OE1 GLN A 44 -16.060 10.076 17.126 1.00 0.00 O ATOM 682 NE2 GLN A 44 -14.395 8.964 16.109 1.00 0.00 N ATOM 0 H GLN A 44 -15.478 10.786 12.279 1.00 0.00 H new ATOM 0 HA GLN A 44 -14.324 13.304 13.328 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -14.544 12.099 15.559 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -16.046 12.607 14.813 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -16.809 10.494 14.643 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -15.298 9.906 13.978 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -13.882 8.785 15.246 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -14.131 8.483 16.969 1.00 0.00 H new ATOM 691 N ALA A 45 -12.982 10.371 12.880 1.00 0.00 N ATOM 692 CA ALA A 45 -11.721 9.639 12.842 1.00 0.00 C ATOM 693 C ALA A 45 -10.626 10.445 12.160 1.00 0.00 C ATOM 694 O ALA A 45 -9.729 10.983 12.809 1.00 0.00 O ATOM 695 CB ALA A 45 -11.902 8.315 12.111 1.00 0.00 C ATOM 0 H ALA A 45 -13.764 9.884 12.443 1.00 0.00 H new ATOM 0 HA ALA A 45 -11.420 9.453 13.873 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.953 7.779 12.090 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -12.648 7.712 12.629 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -12.234 8.505 11.090 1.00 0.00 H new ATOM 701 N TRP A 46 -10.706 10.500 10.839 1.00 0.00 N ATOM 702 CA TRP A 46 -9.730 11.208 10.033 1.00 0.00 C ATOM 703 C TRP A 46 -9.862 12.722 10.180 1.00 0.00 C ATOM 704 O TRP A 46 -8.950 13.468 9.823 1.00 0.00 O ATOM 705 CB TRP A 46 -9.897 10.796 8.573 1.00 0.00 C ATOM 706 CG TRP A 46 -8.740 11.177 7.716 1.00 0.00 C ATOM 707 CD1 TRP A 46 -8.600 12.334 7.024 1.00 0.00 C ATOM 708 CD2 TRP A 46 -7.565 10.404 7.463 1.00 0.00 C ATOM 709 NE1 TRP A 46 -7.405 12.338 6.345 1.00 0.00 N ATOM 710 CE2 TRP A 46 -6.750 11.160 6.600 1.00 0.00 C ATOM 711 CE3 TRP A 46 -7.124 9.147 7.882 1.00 0.00 C ATOM 712 CZ2 TRP A 46 -5.516 10.697 6.149 1.00 0.00 C ATOM 713 CZ3 TRP A 46 -5.900 8.689 7.435 1.00 0.00 C ATOM 714 CH2 TRP A 46 -5.107 9.462 6.576 1.00 0.00 C ATOM 0 H TRP A 46 -11.448 10.055 10.299 1.00 0.00 H new ATOM 0 HA TRP A 46 -8.733 10.940 10.383 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -10.038 9.716 8.521 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -10.802 11.255 8.175 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -9.323 13.136 7.008 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -7.062 13.092 5.750 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -7.729 8.544 8.543 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -4.904 11.291 5.486 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -5.548 7.719 7.753 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -4.154 9.076 6.244 1.00 0.00 H new ATOM 725 N GLN A 47 -10.996 13.173 10.708 1.00 0.00 N ATOM 726 CA GLN A 47 -11.230 14.601 10.898 1.00 0.00 C ATOM 727 C GLN A 47 -10.299 15.172 11.965 1.00 0.00 C ATOM 728 O GLN A 47 -10.040 16.374 11.997 1.00 0.00 O ATOM 729 CB GLN A 47 -12.688 14.852 11.283 1.00 0.00 C ATOM 730 CG GLN A 47 -13.020 16.321 11.493 1.00 0.00 C ATOM 731 CD GLN A 47 -13.143 17.082 10.188 1.00 0.00 C ATOM 732 OE1 GLN A 47 -14.140 16.960 9.476 1.00 0.00 O ATOM 733 NE2 GLN A 47 -12.127 17.873 9.866 1.00 0.00 N ATOM 0 H GLN A 47 -11.764 12.574 11.011 1.00 0.00 H new ATOM 0 HA GLN A 47 -11.019 15.107 9.956 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -13.335 14.450 10.503 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -12.913 14.303 12.198 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -13.955 16.403 12.047 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -12.245 16.781 12.106 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -11.320 17.944 10.486 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -12.153 18.410 8.999 1.00 0.00 H new ATOM 742 N GLU A 48 -9.798 14.301 12.835 1.00 0.00 N ATOM 743 CA GLU A 48 -8.894 14.717 13.902 1.00 0.00 C ATOM 744 C GLU A 48 -7.444 14.750 13.419 1.00 0.00 C ATOM 745 O GLU A 48 -6.558 15.222 14.130 1.00 0.00 O ATOM 746 CB GLU A 48 -9.021 13.773 15.099 1.00 0.00 C ATOM 747 CG GLU A 48 -8.409 14.322 16.378 1.00 0.00 C ATOM 748 CD GLU A 48 -8.086 13.235 17.383 1.00 0.00 C ATOM 749 OE1 GLU A 48 -7.857 12.083 16.958 1.00 0.00 O ATOM 750 OE2 GLU A 48 -8.061 13.534 18.595 1.00 0.00 O ATOM 0 H GLU A 48 -10.003 13.302 12.822 1.00 0.00 H new ATOM 0 HA GLU A 48 -9.176 15.725 14.205 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.076 13.561 15.273 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -8.542 12.825 14.855 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -7.498 14.869 16.135 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -9.099 15.036 16.829 1.00 0.00 H new ATOM 757 N LEU A 49 -7.205 14.253 12.207 1.00 0.00 N ATOM 758 CA LEU A 49 -5.861 14.238 11.645 1.00 0.00 C ATOM 759 C LEU A 49 -5.322 15.658 11.519 1.00 0.00 C ATOM 760 O LEU A 49 -4.124 15.896 11.661 1.00 0.00 O ATOM 761 CB LEU A 49 -5.863 13.555 10.276 1.00 0.00 C ATOM 762 CG LEU A 49 -4.488 13.408 9.622 1.00 0.00 C ATOM 763 CD1 LEU A 49 -3.555 12.608 10.515 1.00 0.00 C ATOM 764 CD2 LEU A 49 -4.617 12.749 8.256 1.00 0.00 C ATOM 0 H LEU A 49 -7.923 13.858 11.600 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.213 13.675 12.317 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -6.305 12.564 10.382 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.508 14.122 9.605 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.063 14.402 9.486 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.582 12.514 10.033 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.439 13.119 11.471 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.974 11.616 10.683 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.630 12.652 7.804 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.063 11.761 8.369 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.251 13.362 7.615 1.00 0.00 H new ATOM 776 N LYS A 50 -6.223 16.601 11.262 1.00 0.00 N ATOM 777 CA LYS A 50 -5.848 18.002 11.132 1.00 0.00 C ATOM 778 C LYS A 50 -5.860 18.690 12.494 1.00 0.00 C ATOM 779 O LYS A 50 -5.203 19.712 12.690 1.00 0.00 O ATOM 780 CB LYS A 50 -6.797 18.722 10.174 1.00 0.00 C ATOM 781 CG LYS A 50 -6.203 19.980 9.560 1.00 0.00 C ATOM 782 CD LYS A 50 -6.557 21.217 10.370 1.00 0.00 C ATOM 783 CE LYS A 50 -7.661 22.024 9.705 1.00 0.00 C ATOM 784 NZ LYS A 50 -7.118 23.185 8.948 1.00 0.00 N ATOM 0 H LYS A 50 -7.219 16.418 11.140 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.837 18.048 10.727 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.082 18.037 9.375 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.710 18.985 10.709 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -5.119 19.880 9.501 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.568 20.095 8.540 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -6.874 20.920 11.369 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -5.671 21.841 10.489 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.225 21.381 9.029 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.359 22.379 10.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -7.901 23.710 8.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -6.602 23.812 9.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -6.471 22.845 8.208 1.00 0.00 H new ATOM 798 N THR A 51 -6.610 18.118 13.435 1.00 0.00 N ATOM 799 CA THR A 51 -6.706 18.672 14.782 1.00 0.00 C ATOM 800 C THR A 51 -5.318 18.842 15.396 1.00 0.00 C ATOM 801 O THR A 51 -5.051 19.820 16.094 1.00 0.00 O ATOM 802 CB THR A 51 -7.563 17.764 15.668 1.00 0.00 C ATOM 803 OG1 THR A 51 -8.893 17.702 15.180 1.00 0.00 O ATOM 804 CG2 THR A 51 -7.627 18.215 17.112 1.00 0.00 C ATOM 0 H THR A 51 -7.159 17.271 13.288 1.00 0.00 H new ATOM 0 HA THR A 51 -7.178 19.652 14.716 1.00 0.00 H new ATOM 0 HB THR A 51 -7.079 16.788 15.632 1.00 0.00 H new ATOM 0 HG1 THR A 51 -9.462 17.251 15.838 1.00 0.00 H new ATOM 0 HG21 THR A 51 -8.251 17.526 17.681 1.00 0.00 H new ATOM 0 HG22 THR A 51 -6.622 18.228 17.534 1.00 0.00 H new ATOM 0 HG23 THR A 51 -8.054 19.216 17.162 1.00 0.00 H new ATOM 812 N MET A 52 -4.442 17.879 15.128 1.00 0.00 N ATOM 813 CA MET A 52 -3.081 17.914 15.651 1.00 0.00 C ATOM 814 C MET A 52 -2.166 18.727 14.739 1.00 0.00 C ATOM 815 O MET A 52 -1.949 18.368 13.582 1.00 0.00 O ATOM 816 CB MET A 52 -2.537 16.491 15.802 1.00 0.00 C ATOM 817 CG MET A 52 -2.744 15.625 14.571 1.00 0.00 C ATOM 818 SD MET A 52 -1.519 14.309 14.433 1.00 0.00 S ATOM 819 CE MET A 52 -1.592 13.604 16.079 1.00 0.00 C ATOM 0 H MET A 52 -4.651 17.064 14.551 1.00 0.00 H new ATOM 0 HA MET A 52 -3.106 18.394 16.629 1.00 0.00 H new ATOM 0 HB2 MET A 52 -1.471 16.541 16.026 1.00 0.00 H new ATOM 0 HB3 MET A 52 -3.020 16.015 16.656 1.00 0.00 H new ATOM 0 HG2 MET A 52 -3.741 15.186 14.604 1.00 0.00 H new ATOM 0 HG3 MET A 52 -2.701 16.251 13.680 1.00 0.00 H new ATOM 0 HE1 MET A 52 -1.102 12.630 16.080 1.00 0.00 H new ATOM 0 HE2 MET A 52 -1.085 14.266 16.781 1.00 0.00 H new ATOM 0 HE3 MET A 52 -2.633 13.486 16.379 1.00 0.00 H new ATOM 829 N LEU A 53 -1.630 19.821 15.271 1.00 0.00 N ATOM 830 CA LEU A 53 -0.736 20.683 14.507 1.00 0.00 C ATOM 831 C LEU A 53 0.659 20.699 15.124 1.00 0.00 C ATOM 832 O LEU A 53 1.664 20.701 14.413 1.00 0.00 O ATOM 833 CB LEU A 53 -1.292 22.106 14.442 1.00 0.00 C ATOM 834 CG LEU A 53 -2.744 22.216 13.975 1.00 0.00 C ATOM 835 CD1 LEU A 53 -3.434 23.391 14.652 1.00 0.00 C ATOM 836 CD2 LEU A 53 -2.807 22.359 12.462 1.00 0.00 C ATOM 0 H LEU A 53 -1.799 20.131 16.228 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.665 20.283 13.495 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.210 22.557 15.431 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.666 22.694 13.771 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.267 21.302 14.256 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.466 23.454 14.308 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.420 23.248 15.732 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.911 24.314 14.401 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.848 22.436 12.147 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.269 23.257 12.159 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.350 21.487 11.995 1.00 0.00 H new ATOM 848 N GLY A 54 0.712 20.711 16.452 1.00 0.00 N ATOM 849 CA GLY A 54 1.987 20.727 17.143 1.00 0.00 C ATOM 850 C GLY A 54 1.995 19.826 18.362 1.00 0.00 C ATOM 851 O GLY A 54 2.608 18.759 18.350 1.00 0.00 O ATOM 0 H GLY A 54 -0.106 20.710 17.062 1.00 0.00 H new ATOM 0 HA2 GLY A 54 2.773 20.412 16.457 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.219 21.748 17.447 1.00 0.00 H new ATOM 855 N ASN A 55 1.310 20.255 19.417 1.00 0.00 N ATOM 856 CA ASN A 55 1.238 19.479 20.649 1.00 0.00 C ATOM 857 C ASN A 55 2.629 19.234 21.223 1.00 0.00 C ATOM 858 O ASN A 55 3.359 18.359 20.755 1.00 0.00 O ATOM 859 CB ASN A 55 0.536 18.143 20.396 1.00 0.00 C ATOM 860 CG ASN A 55 -0.970 18.246 20.538 1.00 0.00 C ATOM 861 OD1 ASN A 55 -1.594 17.452 21.242 1.00 0.00 O ATOM 862 ND2 ASN A 55 -1.563 19.227 19.867 1.00 0.00 N ATOM 0 H ASN A 55 0.797 21.136 19.443 1.00 0.00 H new ATOM 0 HA ASN A 55 0.662 20.053 21.375 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.781 17.791 19.394 1.00 0.00 H new ATOM 0 HB3 ASN A 55 0.914 17.398 21.096 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.575 19.345 19.924 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.007 19.863 19.295 1.00 0.00 H new ATOM 1299 N SER B 102 2.699 -10.163 -4.739 1.00 0.00 N ATOM 1300 CA SER B 102 2.043 -9.151 -3.917 1.00 0.00 C ATOM 1301 C SER B 102 0.530 -9.352 -3.898 1.00 0.00 C ATOM 1302 O SER B 102 -0.238 -8.428 -4.164 1.00 0.00 O ATOM 1303 CB SER B 102 2.385 -7.755 -4.434 1.00 0.00 C ATOM 1304 OG SER B 102 3.435 -7.178 -3.679 1.00 0.00 O ATOM 0 HA SER B 102 2.408 -9.253 -2.895 1.00 0.00 H new ATOM 0 HB2 SER B 102 2.676 -7.813 -5.483 1.00 0.00 H new ATOM 0 HB3 SER B 102 1.502 -7.118 -4.382 1.00 0.00 H new ATOM 0 HG SER B 102 3.268 -6.219 -3.567 1.00 0.00 H new ATOM 1310 N ARG B 103 0.110 -10.568 -3.578 1.00 0.00 N ATOM 1311 CA ARG B 103 -1.307 -10.899 -3.517 1.00 0.00 C ATOM 1312 C ARG B 103 -1.711 -11.211 -2.079 1.00 0.00 C ATOM 1313 O ARG B 103 -1.177 -12.135 -1.465 1.00 0.00 O ATOM 1314 CB ARG B 103 -1.584 -12.099 -4.431 1.00 0.00 C ATOM 1315 CG ARG B 103 -2.986 -12.677 -4.311 1.00 0.00 C ATOM 1316 CD ARG B 103 -3.150 -13.901 -5.199 1.00 0.00 C ATOM 1317 NE ARG B 103 -3.063 -15.146 -4.440 1.00 0.00 N ATOM 1318 CZ ARG B 103 -3.405 -16.336 -4.928 1.00 0.00 C ATOM 1319 NH1 ARG B 103 -3.861 -16.446 -6.170 1.00 0.00 N ATOM 1320 NH2 ARG B 103 -3.292 -17.420 -4.172 1.00 0.00 N ATOM 0 H ARG B 103 0.733 -11.344 -3.356 1.00 0.00 H new ATOM 0 HA ARG B 103 -1.898 -10.049 -3.858 1.00 0.00 H new ATOM 0 HB2 ARG B 103 -1.417 -11.797 -5.465 1.00 0.00 H new ATOM 0 HB3 ARG B 103 -0.861 -12.884 -4.207 1.00 0.00 H new ATOM 0 HG2 ARG B 103 -3.184 -12.947 -3.274 1.00 0.00 H new ATOM 0 HG3 ARG B 103 -3.720 -11.921 -4.589 1.00 0.00 H new ATOM 0 HD2 ARG B 103 -4.113 -13.853 -5.707 1.00 0.00 H new ATOM 0 HD3 ARG B 103 -2.381 -13.893 -5.972 1.00 0.00 H new ATOM 0 HE ARG B 103 -2.720 -15.101 -3.480 1.00 0.00 H new ATOM 0 HH11 ARG B 103 -3.951 -15.616 -6.756 1.00 0.00 H new ATOM 0 HH12 ARG B 103 -4.122 -17.361 -6.538 1.00 0.00 H new ATOM 0 HH21 ARG B 103 -2.943 -17.341 -3.217 1.00 0.00 H new ATOM 0 HH22 ARG B 103 -3.554 -18.332 -4.546 1.00 0.00 H new ATOM 1334 N LEU B 104 -2.644 -10.432 -1.538 1.00 0.00 N ATOM 1335 CA LEU B 104 -3.093 -10.633 -0.168 1.00 0.00 C ATOM 1336 C LEU B 104 -4.372 -11.464 -0.113 1.00 0.00 C ATOM 1337 O LEU B 104 -5.289 -11.256 -0.901 1.00 0.00 O ATOM 1338 CB LEU B 104 -3.322 -9.272 0.507 1.00 0.00 C ATOM 1339 CG LEU B 104 -4.649 -9.121 1.266 1.00 0.00 C ATOM 1340 CD1 LEU B 104 -4.488 -9.565 2.715 1.00 0.00 C ATOM 1341 CD2 LEU B 104 -5.154 -7.684 1.193 1.00 0.00 C ATOM 0 H LEU B 104 -3.100 -9.661 -2.026 1.00 0.00 H new ATOM 0 HA LEU B 104 -2.316 -11.182 0.365 1.00 0.00 H new ATOM 0 HB2 LEU B 104 -2.503 -9.090 1.203 1.00 0.00 H new ATOM 0 HB3 LEU B 104 -3.270 -8.495 -0.256 1.00 0.00 H new ATOM 0 HG LEU B 104 -5.391 -9.763 0.791 1.00 0.00 H new ATOM 0 HD11 LEU B 104 -5.438 -9.451 3.238 1.00 0.00 H new ATOM 0 HD12 LEU B 104 -4.181 -10.610 2.743 1.00 0.00 H new ATOM 0 HD13 LEU B 104 -3.730 -8.951 3.202 1.00 0.00 H new ATOM 0 HD21 LEU B 104 -6.095 -7.601 1.737 1.00 0.00 H new ATOM 0 HD22 LEU B 104 -4.417 -7.016 1.639 1.00 0.00 H new ATOM 0 HD23 LEU B 104 -5.312 -7.406 0.151 1.00 0.00 H new ATOM 1353 N THR B 105 -4.442 -12.374 0.852 1.00 0.00 N ATOM 1354 CA THR B 105 -5.631 -13.199 1.038 1.00 0.00 C ATOM 1355 C THR B 105 -6.281 -12.855 2.373 1.00 0.00 C ATOM 1356 O THR B 105 -5.615 -12.843 3.407 1.00 0.00 O ATOM 1357 CB THR B 105 -5.286 -14.686 0.990 1.00 0.00 C ATOM 1358 OG1 THR B 105 -4.492 -14.982 -0.145 1.00 0.00 O ATOM 1359 CG2 THR B 105 -6.513 -15.570 0.940 1.00 0.00 C ATOM 0 H THR B 105 -3.691 -12.559 1.517 1.00 0.00 H new ATOM 0 HA THR B 105 -6.327 -12.992 0.225 1.00 0.00 H new ATOM 0 HB THR B 105 -4.740 -14.893 1.910 1.00 0.00 H new ATOM 0 HG1 THR B 105 -4.281 -15.939 -0.156 1.00 0.00 H new ATOM 0 HG21 THR B 105 -6.207 -16.616 0.907 1.00 0.00 H new ATOM 0 HG22 THR B 105 -7.122 -15.398 1.828 1.00 0.00 H new ATOM 0 HG23 THR B 105 -7.095 -15.334 0.049 1.00 0.00 H new ATOM 1367 N ILE B 106 -7.572 -12.542 2.346 1.00 0.00 N ATOM 1368 CA ILE B 106 -8.282 -12.161 3.565 1.00 0.00 C ATOM 1369 C ILE B 106 -9.577 -12.931 3.748 1.00 0.00 C ATOM 1370 O ILE B 106 -10.235 -13.308 2.778 1.00 0.00 O ATOM 1371 CB ILE B 106 -8.622 -10.658 3.565 1.00 0.00 C ATOM 1372 CG1 ILE B 106 -7.425 -9.831 3.116 1.00 0.00 C ATOM 1373 CG2 ILE B 106 -9.085 -10.215 4.945 1.00 0.00 C ATOM 1374 CD1 ILE B 106 -7.801 -8.624 2.296 1.00 0.00 C ATOM 0 H ILE B 106 -8.145 -12.544 1.502 1.00 0.00 H new ATOM 0 HA ILE B 106 -7.606 -12.399 4.386 1.00 0.00 H new ATOM 0 HB ILE B 106 -9.435 -10.495 2.857 1.00 0.00 H new ATOM 0 HG12 ILE B 106 -6.869 -9.504 3.995 1.00 0.00 H new ATOM 0 HG13 ILE B 106 -6.756 -10.463 2.532 1.00 0.00 H new ATOM 0 HG21 ILE B 106 -9.321 -9.151 4.926 1.00 0.00 H new ATOM 0 HG22 ILE B 106 -9.974 -10.778 5.229 1.00 0.00 H new ATOM 0 HG23 ILE B 106 -8.293 -10.398 5.671 1.00 0.00 H new ATOM 0 HD11 ILE B 106 -6.899 -8.082 2.011 1.00 0.00 H new ATOM 0 HD12 ILE B 106 -8.331 -8.944 1.399 1.00 0.00 H new ATOM 0 HD13 ILE B 106 -8.446 -7.971 2.884 1.00 0.00 H new ATOM 1386 N ASP B 107 -9.965 -13.116 5.005 1.00 0.00 N ATOM 1387 CA ASP B 107 -11.210 -13.788 5.317 1.00 0.00 C ATOM 1388 C ASP B 107 -12.266 -12.725 5.564 1.00 0.00 C ATOM 1389 O ASP B 107 -12.075 -11.821 6.379 1.00 0.00 O ATOM 1390 CB ASP B 107 -11.053 -14.684 6.548 1.00 0.00 C ATOM 1391 CG ASP B 107 -12.184 -15.686 6.682 1.00 0.00 C ATOM 1392 OD1 ASP B 107 -12.227 -16.643 5.881 1.00 0.00 O ATOM 1393 OD2 ASP B 107 -13.025 -15.513 7.589 1.00 0.00 O ATOM 0 H ASP B 107 -9.433 -12.809 5.819 1.00 0.00 H new ATOM 0 HA ASP B 107 -11.505 -14.428 4.485 1.00 0.00 H new ATOM 0 HB2 ASP B 107 -10.104 -15.217 6.487 1.00 0.00 H new ATOM 0 HB3 ASP B 107 -11.013 -14.063 7.443 1.00 0.00 H new ATOM 1398 N MET B 108 -13.352 -12.808 4.822 1.00 0.00 N ATOM 1399 CA MET B 108 -14.417 -11.823 4.914 1.00 0.00 C ATOM 1400 C MET B 108 -15.772 -12.484 5.114 1.00 0.00 C ATOM 1401 O MET B 108 -15.930 -13.683 4.885 1.00 0.00 O ATOM 1402 CB MET B 108 -14.420 -10.958 3.648 1.00 0.00 C ATOM 1403 CG MET B 108 -13.081 -10.945 2.922 1.00 0.00 C ATOM 1404 SD MET B 108 -11.869 -9.911 3.757 1.00 0.00 S ATOM 1405 CE MET B 108 -11.673 -8.598 2.563 1.00 0.00 C ATOM 0 H MET B 108 -13.523 -13.551 4.144 1.00 0.00 H new ATOM 0 HA MET B 108 -14.233 -11.193 5.784 1.00 0.00 H new ATOM 0 HB2 MET B 108 -15.190 -11.324 2.969 1.00 0.00 H new ATOM 0 HB3 MET B 108 -14.690 -9.936 3.915 1.00 0.00 H new ATOM 0 HG2 MET B 108 -12.699 -11.963 2.848 1.00 0.00 H new ATOM 0 HG3 MET B 108 -13.225 -10.584 1.904 1.00 0.00 H new ATOM 0 HE1 MET B 108 -10.874 -7.930 2.885 1.00 0.00 H new ATOM 0 HE2 MET B 108 -11.421 -9.024 1.592 1.00 0.00 H new ATOM 0 HE3 MET B 108 -12.604 -8.037 2.482 1.00 0.00 H new ATOM 1415 N THR B 109 -16.747 -11.695 5.550 1.00 0.00 N ATOM 1416 CA THR B 109 -18.089 -12.203 5.783 1.00 0.00 C ATOM 1417 C THR B 109 -18.884 -12.233 4.480 1.00 0.00 C ATOM 1418 O THR B 109 -18.653 -11.432 3.576 1.00 0.00 O ATOM 1419 CB THR B 109 -18.806 -11.350 6.832 1.00 0.00 C ATOM 1420 OG1 THR B 109 -17.992 -10.268 7.244 1.00 0.00 O ATOM 1421 CG2 THR B 109 -19.176 -12.131 8.069 1.00 0.00 C ATOM 0 H THR B 109 -16.631 -10.701 5.749 1.00 0.00 H new ATOM 0 HA THR B 109 -18.013 -13.223 6.160 1.00 0.00 H new ATOM 0 HB THR B 109 -19.716 -10.996 6.347 1.00 0.00 H new ATOM 0 HG1 THR B 109 -18.398 -9.830 8.021 1.00 0.00 H new ATOM 0 HG21 THR B 109 -19.681 -11.474 8.777 1.00 0.00 H new ATOM 0 HG22 THR B 109 -19.841 -12.951 7.796 1.00 0.00 H new ATOM 0 HG23 THR B 109 -18.273 -12.534 8.529 1.00 0.00 H new ATOM 1429 N ASP B 110 -19.797 -13.192 4.384 1.00 0.00 N ATOM 1430 CA ASP B 110 -20.611 -13.376 3.188 1.00 0.00 C ATOM 1431 C ASP B 110 -21.368 -12.113 2.777 1.00 0.00 C ATOM 1432 O ASP B 110 -21.253 -11.660 1.640 1.00 0.00 O ATOM 1433 CB ASP B 110 -21.603 -14.518 3.404 1.00 0.00 C ATOM 1434 CG ASP B 110 -21.805 -15.353 2.154 1.00 0.00 C ATOM 1435 OD1 ASP B 110 -22.680 -14.997 1.338 1.00 0.00 O ATOM 1436 OD2 ASP B 110 -21.089 -16.364 1.993 1.00 0.00 O ATOM 0 H ASP B 110 -19.994 -13.861 5.129 1.00 0.00 H new ATOM 0 HA ASP B 110 -19.924 -13.616 2.376 1.00 0.00 H new ATOM 0 HB2 ASP B 110 -21.246 -15.158 4.211 1.00 0.00 H new ATOM 0 HB3 ASP B 110 -22.561 -14.108 3.722 1.00 0.00 H new ATOM 1441 N GLN B 111 -22.173 -11.571 3.684 1.00 0.00 N ATOM 1442 CA GLN B 111 -22.977 -10.390 3.372 1.00 0.00 C ATOM 1443 C GLN B 111 -22.126 -9.195 2.942 1.00 0.00 C ATOM 1444 O GLN B 111 -22.395 -8.581 1.909 1.00 0.00 O ATOM 1445 CB GLN B 111 -23.833 -10.004 4.579 1.00 0.00 C ATOM 1446 CG GLN B 111 -24.978 -9.064 4.238 1.00 0.00 C ATOM 1447 CD GLN B 111 -26.170 -9.243 5.157 1.00 0.00 C ATOM 1448 OE1 GLN B 111 -27.248 -9.650 4.723 1.00 0.00 O ATOM 1449 NE2 GLN B 111 -25.982 -8.938 6.435 1.00 0.00 N ATOM 0 H GLN B 111 -22.288 -11.925 4.634 1.00 0.00 H new ATOM 0 HA GLN B 111 -23.616 -10.655 2.529 1.00 0.00 H new ATOM 0 HB2 GLN B 111 -24.239 -10.909 5.030 1.00 0.00 H new ATOM 0 HB3 GLN B 111 -23.198 -9.532 5.328 1.00 0.00 H new ATOM 0 HG2 GLN B 111 -24.628 -8.033 4.299 1.00 0.00 H new ATOM 0 HG3 GLN B 111 -25.289 -9.235 3.207 1.00 0.00 H new ATOM 0 HE21 GLN B 111 -25.071 -8.604 6.751 1.00 0.00 H new ATOM 0 HE22 GLN B 111 -26.748 -9.038 7.101 1.00 0.00 H new ATOM 1458 N GLN B 112 -21.106 -8.859 3.725 1.00 0.00 N ATOM 1459 CA GLN B 112 -20.246 -7.728 3.389 1.00 0.00 C ATOM 1460 C GLN B 112 -19.448 -7.997 2.115 1.00 0.00 C ATOM 1461 O GLN B 112 -19.290 -7.112 1.275 1.00 0.00 O ATOM 1462 CB GLN B 112 -19.306 -7.385 4.546 1.00 0.00 C ATOM 1463 CG GLN B 112 -18.653 -8.593 5.191 1.00 0.00 C ATOM 1464 CD GLN B 112 -17.158 -8.417 5.357 1.00 0.00 C ATOM 1465 OE1 GLN B 112 -16.644 -8.369 6.474 1.00 0.00 O ATOM 1466 NE2 GLN B 112 -16.451 -8.314 4.239 1.00 0.00 N ATOM 0 H GLN B 112 -20.856 -9.346 4.586 1.00 0.00 H new ATOM 0 HA GLN B 112 -20.893 -6.870 3.209 1.00 0.00 H new ATOM 0 HB2 GLN B 112 -18.527 -6.716 4.181 1.00 0.00 H new ATOM 0 HB3 GLN B 112 -19.866 -6.839 5.305 1.00 0.00 H new ATOM 0 HG2 GLN B 112 -19.106 -8.771 6.166 1.00 0.00 H new ATOM 0 HG3 GLN B 112 -18.847 -9.477 4.583 1.00 0.00 H new ATOM 0 HE21 GLN B 112 -16.919 -8.359 3.334 1.00 0.00 H new ATOM 0 HE22 GLN B 112 -15.440 -8.190 4.285 1.00 0.00 H new ATOM 1475 N HIS B 113 -18.949 -9.223 1.974 1.00 0.00 N ATOM 1476 CA HIS B 113 -18.169 -9.598 0.798 1.00 0.00 C ATOM 1477 C HIS B 113 -18.987 -9.442 -0.481 1.00 0.00 C ATOM 1478 O HIS B 113 -18.435 -9.388 -1.573 1.00 0.00 O ATOM 1479 CB HIS B 113 -17.671 -11.040 0.917 1.00 0.00 C ATOM 1480 CG HIS B 113 -16.654 -11.406 -0.121 1.00 0.00 C ATOM 1481 ND1 HIS B 113 -16.138 -12.678 -0.258 1.00 0.00 N ATOM 1482 CD2 HIS B 113 -16.056 -10.657 -1.079 1.00 0.00 C ATOM 1483 CE1 HIS B 113 -15.269 -12.694 -1.252 1.00 0.00 C ATOM 1484 NE2 HIS B 113 -15.201 -11.481 -1.768 1.00 0.00 N ATOM 0 H HIS B 113 -19.070 -9.971 2.657 1.00 0.00 H new ATOM 0 HA HIS B 113 -17.312 -8.927 0.746 1.00 0.00 H new ATOM 0 HB2 HIS B 113 -17.238 -11.187 1.907 1.00 0.00 H new ATOM 0 HB3 HIS B 113 -18.521 -11.718 0.837 1.00 0.00 H new ATOM 0 HD2 HIS B 113 -16.221 -9.606 -1.266 1.00 0.00 H new ATOM 0 HE1 HIS B 113 -14.708 -13.554 -1.586 1.00 0.00 H new ATOM 0 HE2 HIS B 113 -14.610 -11.202 -2.551 1.00 0.00 H new ATOM 1493 N GLN B 114 -20.306 -9.368 -0.339 1.00 0.00 N ATOM 1494 CA GLN B 114 -21.192 -9.218 -1.484 1.00 0.00 C ATOM 1495 C GLN B 114 -21.293 -7.757 -1.896 1.00 0.00 C ATOM 1496 O GLN B 114 -21.314 -7.438 -3.082 1.00 0.00 O ATOM 1497 CB GLN B 114 -22.583 -9.764 -1.157 1.00 0.00 C ATOM 1498 CG GLN B 114 -22.672 -11.280 -1.208 1.00 0.00 C ATOM 1499 CD GLN B 114 -24.098 -11.783 -1.109 1.00 0.00 C ATOM 1500 OE1 GLN B 114 -24.838 -11.785 -2.093 1.00 0.00 O ATOM 1501 NE2 GLN B 114 -24.491 -12.215 0.084 1.00 0.00 N ATOM 0 H GLN B 114 -20.785 -9.410 0.561 1.00 0.00 H new ATOM 0 HA GLN B 114 -20.774 -9.787 -2.314 1.00 0.00 H new ATOM 0 HB2 GLN B 114 -22.872 -9.425 -0.162 1.00 0.00 H new ATOM 0 HB3 GLN B 114 -23.303 -9.343 -1.859 1.00 0.00 H new ATOM 0 HG2 GLN B 114 -22.229 -11.635 -2.138 1.00 0.00 H new ATOM 0 HG3 GLN B 114 -22.084 -11.703 -0.393 1.00 0.00 H new ATOM 0 HE21 GLN B 114 -23.844 -12.195 0.872 1.00 0.00 H new ATOM 0 HE22 GLN B 114 -25.440 -12.567 0.212 1.00 0.00 H new ATOM 1510 N SER B 115 -21.355 -6.873 -0.909 1.00 0.00 N ATOM 1511 CA SER B 115 -21.456 -5.445 -1.173 1.00 0.00 C ATOM 1512 C SER B 115 -20.243 -4.953 -1.956 1.00 0.00 C ATOM 1513 O SER B 115 -20.377 -4.189 -2.912 1.00 0.00 O ATOM 1514 CB SER B 115 -21.583 -4.669 0.140 1.00 0.00 C ATOM 1515 OG SER B 115 -22.636 -3.722 0.072 1.00 0.00 O ATOM 0 H SER B 115 -21.337 -7.120 0.081 1.00 0.00 H new ATOM 0 HA SER B 115 -22.349 -5.272 -1.774 1.00 0.00 H new ATOM 0 HB2 SER B 115 -21.766 -5.363 0.960 1.00 0.00 H new ATOM 0 HB3 SER B 115 -20.644 -4.159 0.357 1.00 0.00 H new ATOM 0 HG SER B 115 -22.698 -3.240 0.923 1.00 0.00 H new ATOM 1521 N LEU B 116 -19.061 -5.396 -1.543 1.00 0.00 N ATOM 1522 CA LEU B 116 -17.822 -5.002 -2.203 1.00 0.00 C ATOM 1523 C LEU B 116 -17.575 -5.834 -3.458 1.00 0.00 C ATOM 1524 O LEU B 116 -17.273 -5.290 -4.520 1.00 0.00 O ATOM 1525 CB LEU B 116 -16.648 -5.138 -1.227 1.00 0.00 C ATOM 1526 CG LEU B 116 -15.253 -5.231 -1.857 1.00 0.00 C ATOM 1527 CD1 LEU B 116 -14.612 -3.856 -1.947 1.00 0.00 C ATOM 1528 CD2 LEU B 116 -14.380 -6.179 -1.048 1.00 0.00 C ATOM 0 H LEU B 116 -18.935 -6.029 -0.753 1.00 0.00 H new ATOM 0 HA LEU B 116 -17.912 -3.960 -2.511 1.00 0.00 H new ATOM 0 HB2 LEU B 116 -16.663 -4.283 -0.551 1.00 0.00 H new ATOM 0 HB3 LEU B 116 -16.809 -6.028 -0.618 1.00 0.00 H new ATOM 0 HG LEU B 116 -15.351 -5.623 -2.869 1.00 0.00 H new ATOM 0 HD11 LEU B 116 -13.623 -3.944 -2.397 1.00 0.00 H new ATOM 0 HD12 LEU B 116 -15.233 -3.204 -2.562 1.00 0.00 H new ATOM 0 HD13 LEU B 116 -14.519 -3.432 -0.947 1.00 0.00 H new ATOM 0 HD21 LEU B 116 -13.391 -6.240 -1.502 1.00 0.00 H new ATOM 0 HD22 LEU B 116 -14.289 -5.808 -0.027 1.00 0.00 H new ATOM 0 HD23 LEU B 116 -14.834 -7.170 -1.034 1.00 0.00 H new ATOM 1540 N LYS B 117 -17.694 -7.154 -3.336 1.00 0.00 N ATOM 1541 CA LYS B 117 -17.469 -8.035 -4.478 1.00 0.00 C ATOM 1542 C LYS B 117 -18.448 -7.718 -5.603 1.00 0.00 C ATOM 1543 O LYS B 117 -18.080 -7.727 -6.778 1.00 0.00 O ATOM 1544 CB LYS B 117 -17.587 -9.497 -4.060 1.00 0.00 C ATOM 1545 CG LYS B 117 -17.048 -10.463 -5.096 1.00 0.00 C ATOM 1546 CD LYS B 117 -18.154 -10.980 -5.993 1.00 0.00 C ATOM 1547 CE LYS B 117 -18.298 -12.487 -5.878 1.00 0.00 C ATOM 1548 NZ LYS B 117 -18.768 -13.102 -7.150 1.00 0.00 N ATOM 0 H LYS B 117 -17.942 -7.632 -2.470 1.00 0.00 H new ATOM 0 HA LYS B 117 -16.458 -7.865 -4.847 1.00 0.00 H new ATOM 0 HB2 LYS B 117 -17.050 -9.644 -3.123 1.00 0.00 H new ATOM 0 HB3 LYS B 117 -18.634 -9.729 -3.867 1.00 0.00 H new ATOM 0 HG2 LYS B 117 -16.289 -9.966 -5.700 1.00 0.00 H new ATOM 0 HG3 LYS B 117 -16.560 -11.300 -4.597 1.00 0.00 H new ATOM 0 HD2 LYS B 117 -19.096 -10.501 -5.726 1.00 0.00 H new ATOM 0 HD3 LYS B 117 -17.942 -10.711 -7.028 1.00 0.00 H new ATOM 0 HE2 LYS B 117 -17.339 -12.922 -5.598 1.00 0.00 H new ATOM 0 HE3 LYS B 117 -19.001 -12.724 -5.079 1.00 0.00 H new ATOM 0 HZ1 LYS B 117 -18.853 -14.131 -7.027 1.00 0.00 H new ATOM 0 HZ2 LYS B 117 -19.695 -12.706 -7.405 1.00 0.00 H new ATOM 0 HZ3 LYS B 117 -18.085 -12.899 -7.907 1.00 0.00 H new ATOM 1562 N ALA B 118 -19.692 -7.422 -5.239 1.00 0.00 N ATOM 1563 CA ALA B 118 -20.710 -7.085 -6.223 1.00 0.00 C ATOM 1564 C ALA B 118 -20.396 -5.746 -6.878 1.00 0.00 C ATOM 1565 O ALA B 118 -20.519 -5.594 -8.094 1.00 0.00 O ATOM 1566 CB ALA B 118 -22.088 -7.047 -5.580 1.00 0.00 C ATOM 0 H ALA B 118 -20.017 -7.409 -4.272 1.00 0.00 H new ATOM 0 HA ALA B 118 -20.710 -7.858 -6.992 1.00 0.00 H new ATOM 0 HB1 ALA B 118 -22.834 -6.793 -6.333 1.00 0.00 H new ATOM 0 HB2 ALA B 118 -22.319 -8.024 -5.156 1.00 0.00 H new ATOM 0 HB3 ALA B 118 -22.100 -6.296 -4.790 1.00 0.00 H new ATOM 1572 N LEU B 119 -19.980 -4.778 -6.064 1.00 0.00 N ATOM 1573 CA LEU B 119 -19.639 -3.455 -6.568 1.00 0.00 C ATOM 1574 C LEU B 119 -18.495 -3.550 -7.571 1.00 0.00 C ATOM 1575 O LEU B 119 -18.447 -2.802 -8.548 1.00 0.00 O ATOM 1576 CB LEU B 119 -19.254 -2.528 -5.413 1.00 0.00 C ATOM 1577 CG LEU B 119 -20.340 -1.532 -5.001 1.00 0.00 C ATOM 1578 CD1 LEU B 119 -20.473 -1.475 -3.486 1.00 0.00 C ATOM 1579 CD2 LEU B 119 -20.039 -0.150 -5.567 1.00 0.00 C ATOM 0 H LEU B 119 -19.872 -4.887 -5.056 1.00 0.00 H new ATOM 0 HA LEU B 119 -20.512 -3.040 -7.072 1.00 0.00 H new ATOM 0 HB2 LEU B 119 -18.993 -3.138 -4.548 1.00 0.00 H new ATOM 0 HB3 LEU B 119 -18.359 -1.973 -5.694 1.00 0.00 H new ATOM 0 HG LEU B 119 -21.290 -1.872 -5.412 1.00 0.00 H new ATOM 0 HD11 LEU B 119 -21.251 -0.761 -3.216 1.00 0.00 H new ATOM 0 HD12 LEU B 119 -20.739 -2.462 -3.107 1.00 0.00 H new ATOM 0 HD13 LEU B 119 -19.525 -1.162 -3.049 1.00 0.00 H new ATOM 0 HD21 LEU B 119 -20.822 0.546 -5.264 1.00 0.00 H new ATOM 0 HD22 LEU B 119 -19.078 0.197 -5.187 1.00 0.00 H new ATOM 0 HD23 LEU B 119 -20.002 -0.203 -6.655 1.00 0.00 H new ATOM 1591 N ALA B 120 -17.583 -4.484 -7.326 1.00 0.00 N ATOM 1592 CA ALA B 120 -16.445 -4.691 -8.210 1.00 0.00 C ATOM 1593 C ALA B 120 -16.915 -5.007 -9.628 1.00 0.00 C ATOM 1594 O ALA B 120 -16.494 -4.369 -10.592 1.00 0.00 O ATOM 1595 CB ALA B 120 -15.568 -5.815 -7.685 1.00 0.00 C ATOM 0 H ALA B 120 -17.611 -5.110 -6.521 1.00 0.00 H new ATOM 0 HA ALA B 120 -15.860 -3.772 -8.238 1.00 0.00 H new ATOM 0 HB1 ALA B 120 -14.721 -5.959 -8.356 1.00 0.00 H new ATOM 0 HB2 ALA B 120 -15.204 -5.558 -6.690 1.00 0.00 H new ATOM 0 HB3 ALA B 120 -16.149 -6.736 -7.632 1.00 0.00 H new ATOM 1601 N ALA B 121 -17.801 -5.996 -9.739 1.00 0.00 N ATOM 1602 CA ALA B 121 -18.345 -6.403 -11.024 1.00 0.00 C ATOM 1603 C ALA B 121 -19.309 -5.356 -11.555 1.00 0.00 C ATOM 1604 O ALA B 121 -19.404 -5.136 -12.762 1.00 0.00 O ATOM 1605 CB ALA B 121 -19.039 -7.749 -10.897 1.00 0.00 C ATOM 0 H ALA B 121 -18.156 -6.530 -8.946 1.00 0.00 H new ATOM 0 HA ALA B 121 -17.523 -6.499 -11.733 1.00 0.00 H new ATOM 0 HB1 ALA B 121 -19.442 -8.043 -11.866 1.00 0.00 H new ATOM 0 HB2 ALA B 121 -18.322 -8.498 -10.560 1.00 0.00 H new ATOM 0 HB3 ALA B 121 -19.851 -7.673 -10.174 1.00 0.00 H new ATOM 1611 N LEU B 122 -20.027 -4.716 -10.640 1.00 0.00 N ATOM 1612 CA LEU B 122 -20.990 -3.693 -11.013 1.00 0.00 C ATOM 1613 C LEU B 122 -20.305 -2.550 -11.751 1.00 0.00 C ATOM 1614 O LEU B 122 -20.818 -2.042 -12.748 1.00 0.00 O ATOM 1615 CB LEU B 122 -21.715 -3.166 -9.772 1.00 0.00 C ATOM 1616 CG LEU B 122 -23.145 -3.677 -9.592 1.00 0.00 C ATOM 1617 CD1 LEU B 122 -23.139 -5.145 -9.193 1.00 0.00 C ATOM 1618 CD2 LEU B 122 -23.882 -2.844 -8.555 1.00 0.00 C ATOM 0 H LEU B 122 -19.959 -4.888 -9.637 1.00 0.00 H new ATOM 0 HA LEU B 122 -21.724 -4.142 -11.683 1.00 0.00 H new ATOM 0 HB2 LEU B 122 -21.135 -3.436 -8.889 1.00 0.00 H new ATOM 0 HB3 LEU B 122 -21.738 -2.077 -9.818 1.00 0.00 H new ATOM 0 HG LEU B 122 -23.668 -3.581 -10.543 1.00 0.00 H new ATOM 0 HD11 LEU B 122 -24.165 -5.493 -9.069 1.00 0.00 H new ATOM 0 HD12 LEU B 122 -22.649 -5.731 -9.970 1.00 0.00 H new ATOM 0 HD13 LEU B 122 -22.599 -5.264 -8.254 1.00 0.00 H new ATOM 0 HD21 LEU B 122 -24.898 -3.222 -8.440 1.00 0.00 H new ATOM 0 HD22 LEU B 122 -23.361 -2.908 -7.600 1.00 0.00 H new ATOM 0 HD23 LEU B 122 -23.916 -1.804 -8.881 1.00 0.00 H new ATOM 1630 N GLN B 123 -19.139 -2.151 -11.255 1.00 0.00 N ATOM 1631 CA GLN B 123 -18.375 -1.071 -11.866 1.00 0.00 C ATOM 1632 C GLN B 123 -17.837 -1.488 -13.233 1.00 0.00 C ATOM 1633 O GLN B 123 -17.586 -0.646 -14.094 1.00 0.00 O ATOM 1634 CB GLN B 123 -17.222 -0.657 -10.949 1.00 0.00 C ATOM 1635 CG GLN B 123 -17.315 0.781 -10.470 1.00 0.00 C ATOM 1636 CD GLN B 123 -17.009 1.781 -11.567 1.00 0.00 C ATOM 1637 OE1 GLN B 123 -17.800 2.685 -11.838 1.00 0.00 O ATOM 1638 NE2 GLN B 123 -15.854 1.624 -12.205 1.00 0.00 N ATOM 0 H GLN B 123 -18.702 -2.561 -10.429 1.00 0.00 H new ATOM 0 HA GLN B 123 -19.041 -0.220 -12.007 1.00 0.00 H new ATOM 0 HB2 GLN B 123 -17.201 -1.319 -10.083 1.00 0.00 H new ATOM 0 HB3 GLN B 123 -16.279 -0.795 -11.479 1.00 0.00 H new ATOM 0 HG2 GLN B 123 -18.317 0.967 -10.083 1.00 0.00 H new ATOM 0 HG3 GLN B 123 -16.621 0.930 -9.643 1.00 0.00 H new ATOM 0 HE21 GLN B 123 -15.229 0.860 -11.947 1.00 0.00 H new ATOM 0 HE22 GLN B 123 -15.593 2.267 -12.952 1.00 0.00 H new ATOM 1647 N GLY B 124 -17.664 -2.793 -13.425 1.00 0.00 N ATOM 1648 CA GLY B 124 -17.158 -3.297 -14.688 1.00 0.00 C ATOM 1649 C GLY B 124 -15.785 -3.926 -14.552 1.00 0.00 C ATOM 1650 O GLY B 124 -14.972 -3.865 -15.475 1.00 0.00 O ATOM 0 H GLY B 124 -17.866 -3.510 -12.728 1.00 0.00 H new ATOM 0 HA2 GLY B 124 -17.854 -4.035 -15.087 1.00 0.00 H new ATOM 0 HA3 GLY B 124 -17.111 -2.481 -15.409 1.00 0.00 H new ATOM 1654 N LYS B 125 -15.527 -4.530 -13.397 1.00 0.00 N ATOM 1655 CA LYS B 125 -14.242 -5.172 -13.140 1.00 0.00 C ATOM 1656 C LYS B 125 -14.362 -6.197 -12.017 1.00 0.00 C ATOM 1657 O LYS B 125 -15.448 -6.432 -11.491 1.00 0.00 O ATOM 1658 CB LYS B 125 -13.189 -4.121 -12.779 1.00 0.00 C ATOM 1659 CG LYS B 125 -13.657 -3.122 -11.734 1.00 0.00 C ATOM 1660 CD LYS B 125 -13.120 -1.729 -12.014 1.00 0.00 C ATOM 1661 CE LYS B 125 -13.819 -1.092 -13.204 1.00 0.00 C ATOM 1662 NZ LYS B 125 -13.160 0.177 -13.621 1.00 0.00 N ATOM 0 H LYS B 125 -16.190 -4.589 -12.624 1.00 0.00 H new ATOM 0 HA LYS B 125 -13.932 -5.690 -14.048 1.00 0.00 H new ATOM 0 HB2 LYS B 125 -12.295 -4.626 -12.412 1.00 0.00 H new ATOM 0 HB3 LYS B 125 -12.902 -3.582 -13.682 1.00 0.00 H new ATOM 0 HG2 LYS B 125 -14.747 -3.096 -11.716 1.00 0.00 H new ATOM 0 HG3 LYS B 125 -13.330 -3.447 -10.746 1.00 0.00 H new ATOM 0 HD2 LYS B 125 -13.255 -1.102 -11.133 1.00 0.00 H new ATOM 0 HD3 LYS B 125 -12.048 -1.783 -12.206 1.00 0.00 H new ATOM 0 HE2 LYS B 125 -13.822 -1.791 -14.040 1.00 0.00 H new ATOM 0 HE3 LYS B 125 -14.860 -0.894 -12.950 1.00 0.00 H new ATOM 0 HZ1 LYS B 125 -13.666 0.580 -14.435 1.00 0.00 H new ATOM 0 HZ2 LYS B 125 -13.179 0.854 -12.832 1.00 0.00 H new ATOM 0 HZ3 LYS B 125 -12.173 -0.016 -13.888 1.00 0.00 H new ATOM 1676 N THR B 126 -13.239 -6.801 -11.649 1.00 0.00 N ATOM 1677 CA THR B 126 -13.224 -7.797 -10.584 1.00 0.00 C ATOM 1678 C THR B 126 -12.783 -7.166 -9.274 1.00 0.00 C ATOM 1679 O THR B 126 -11.957 -6.254 -9.262 1.00 0.00 O ATOM 1680 CB THR B 126 -12.293 -8.955 -10.950 1.00 0.00 C ATOM 1681 OG1 THR B 126 -12.317 -9.955 -9.947 1.00 0.00 O ATOM 1682 CG2 THR B 126 -10.853 -8.529 -11.137 1.00 0.00 C ATOM 0 H THR B 126 -12.328 -6.619 -12.071 1.00 0.00 H new ATOM 0 HA THR B 126 -14.235 -8.186 -10.462 1.00 0.00 H new ATOM 0 HB THR B 126 -12.669 -9.338 -11.899 1.00 0.00 H new ATOM 0 HG1 THR B 126 -11.717 -10.687 -10.201 1.00 0.00 H new ATOM 0 HG21 THR B 126 -10.247 -9.398 -11.395 1.00 0.00 H new ATOM 0 HG22 THR B 126 -10.792 -7.793 -11.939 1.00 0.00 H new ATOM 0 HG23 THR B 126 -10.481 -8.089 -10.212 1.00 0.00 H new ATOM 1690 N ILE B 127 -13.346 -7.648 -8.171 1.00 0.00 N ATOM 1691 CA ILE B 127 -13.011 -7.118 -6.854 1.00 0.00 C ATOM 1692 C ILE B 127 -11.503 -6.985 -6.683 1.00 0.00 C ATOM 1693 O ILE B 127 -11.024 -6.030 -6.072 1.00 0.00 O ATOM 1694 CB ILE B 127 -13.597 -7.974 -5.706 1.00 0.00 C ATOM 1695 CG1 ILE B 127 -12.717 -7.856 -4.465 1.00 0.00 C ATOM 1696 CG2 ILE B 127 -13.746 -9.428 -6.121 1.00 0.00 C ATOM 1697 CD1 ILE B 127 -13.455 -8.043 -3.164 1.00 0.00 C ATOM 0 H ILE B 127 -14.033 -8.401 -8.162 1.00 0.00 H new ATOM 0 HA ILE B 127 -13.466 -6.129 -6.796 1.00 0.00 H new ATOM 0 HB ILE B 127 -14.592 -7.595 -5.472 1.00 0.00 H new ATOM 0 HG12 ILE B 127 -11.920 -8.597 -4.527 1.00 0.00 H new ATOM 0 HG13 ILE B 127 -12.242 -6.875 -4.462 1.00 0.00 H new ATOM 0 HG21 ILE B 127 -14.160 -10.002 -5.292 1.00 0.00 H new ATOM 0 HG22 ILE B 127 -14.415 -9.495 -6.979 1.00 0.00 H new ATOM 0 HG23 ILE B 127 -12.770 -9.831 -6.390 1.00 0.00 H new ATOM 0 HD11 ILE B 127 -12.757 -7.944 -2.332 1.00 0.00 H new ATOM 0 HD12 ILE B 127 -14.235 -7.286 -3.076 1.00 0.00 H new ATOM 0 HD13 ILE B 127 -13.907 -9.034 -3.142 1.00 0.00 H new ATOM 1709 N LYS B 128 -10.756 -7.931 -7.239 1.00 0.00 N ATOM 1710 CA LYS B 128 -9.300 -7.891 -7.154 1.00 0.00 C ATOM 1711 C LYS B 128 -8.795 -6.489 -7.498 1.00 0.00 C ATOM 1712 O LYS B 128 -7.746 -6.057 -7.022 1.00 0.00 O ATOM 1713 CB LYS B 128 -8.701 -8.927 -8.100 1.00 0.00 C ATOM 1714 CG LYS B 128 -8.051 -10.100 -7.392 1.00 0.00 C ATOM 1715 CD LYS B 128 -8.728 -11.403 -7.776 1.00 0.00 C ATOM 1716 CE LYS B 128 -9.807 -11.783 -6.780 1.00 0.00 C ATOM 1717 NZ LYS B 128 -11.000 -12.370 -7.450 1.00 0.00 N ATOM 0 H LYS B 128 -11.130 -8.730 -7.750 1.00 0.00 H new ATOM 0 HA LYS B 128 -8.990 -8.128 -6.136 1.00 0.00 H new ATOM 0 HB2 LYS B 128 -9.486 -9.301 -8.758 1.00 0.00 H new ATOM 0 HB3 LYS B 128 -7.959 -8.441 -8.733 1.00 0.00 H new ATOM 0 HG2 LYS B 128 -6.993 -10.145 -7.649 1.00 0.00 H new ATOM 0 HG3 LYS B 128 -8.111 -9.958 -6.313 1.00 0.00 H new ATOM 0 HD2 LYS B 128 -9.166 -11.308 -8.770 1.00 0.00 H new ATOM 0 HD3 LYS B 128 -7.985 -12.198 -7.830 1.00 0.00 H new ATOM 0 HE2 LYS B 128 -9.404 -12.499 -6.064 1.00 0.00 H new ATOM 0 HE3 LYS B 128 -10.106 -10.900 -6.214 1.00 0.00 H new ATOM 0 HZ1 LYS B 128 -11.714 -12.616 -6.735 1.00 0.00 H new ATOM 0 HZ2 LYS B 128 -11.400 -11.678 -8.115 1.00 0.00 H new ATOM 0 HZ3 LYS B 128 -10.720 -13.227 -7.969 1.00 0.00 H new ATOM 1731 N GLN B 129 -9.573 -5.784 -8.316 1.00 0.00 N ATOM 1732 CA GLN B 129 -9.249 -4.422 -8.723 1.00 0.00 C ATOM 1733 C GLN B 129 -10.003 -3.417 -7.861 1.00 0.00 C ATOM 1734 O GLN B 129 -9.423 -2.475 -7.321 1.00 0.00 O ATOM 1735 CB GLN B 129 -9.636 -4.205 -10.186 1.00 0.00 C ATOM 1736 CG GLN B 129 -8.586 -3.459 -10.990 1.00 0.00 C ATOM 1737 CD GLN B 129 -7.446 -4.355 -11.432 1.00 0.00 C ATOM 1738 OE1 GLN B 129 -6.339 -4.279 -10.900 1.00 0.00 O ATOM 1739 NE2 GLN B 129 -7.712 -5.211 -12.412 1.00 0.00 N ATOM 0 H GLN B 129 -10.442 -6.140 -8.713 1.00 0.00 H new ATOM 0 HA GLN B 129 -8.176 -4.275 -8.599 1.00 0.00 H new ATOM 0 HB2 GLN B 129 -9.818 -5.173 -10.652 1.00 0.00 H new ATOM 0 HB3 GLN B 129 -10.574 -3.651 -10.226 1.00 0.00 H new ATOM 0 HG2 GLN B 129 -9.054 -3.013 -11.868 1.00 0.00 H new ATOM 0 HG3 GLN B 129 -8.188 -2.640 -10.390 1.00 0.00 H new ATOM 0 HE21 GLN B 129 -8.644 -5.240 -12.825 1.00 0.00 H new ATOM 0 HE22 GLN B 129 -6.984 -5.839 -12.752 1.00 0.00 H new ATOM 1748 N TYR B 130 -11.312 -3.622 -7.762 1.00 0.00 N ATOM 1749 CA TYR B 130 -12.181 -2.740 -6.996 1.00 0.00 C ATOM 1750 C TYR B 130 -11.773 -2.675 -5.524 1.00 0.00 C ATOM 1751 O TYR B 130 -11.602 -1.590 -4.969 1.00 0.00 O ATOM 1752 CB TYR B 130 -13.625 -3.216 -7.115 1.00 0.00 C ATOM 1753 CG TYR B 130 -14.587 -2.390 -6.304 1.00 0.00 C ATOM 1754 CD1 TYR B 130 -14.812 -1.062 -6.618 1.00 0.00 C ATOM 1755 CD2 TYR B 130 -15.258 -2.937 -5.220 1.00 0.00 C ATOM 1756 CE1 TYR B 130 -15.684 -0.290 -5.873 1.00 0.00 C ATOM 1757 CE2 TYR B 130 -16.133 -2.179 -4.469 1.00 0.00 C ATOM 1758 CZ TYR B 130 -16.343 -0.854 -4.799 1.00 0.00 C ATOM 1759 OH TYR B 130 -17.213 -0.093 -4.053 1.00 0.00 O ATOM 0 H TYR B 130 -11.797 -4.400 -8.208 1.00 0.00 H new ATOM 0 HA TYR B 130 -12.086 -1.735 -7.408 1.00 0.00 H new ATOM 0 HB2 TYR B 130 -13.925 -3.189 -8.162 1.00 0.00 H new ATOM 0 HB3 TYR B 130 -13.687 -4.255 -6.793 1.00 0.00 H new ATOM 0 HD1 TYR B 130 -14.298 -0.621 -7.459 1.00 0.00 H new ATOM 0 HD2 TYR B 130 -15.093 -3.972 -4.960 1.00 0.00 H new ATOM 0 HE1 TYR B 130 -15.848 0.746 -6.129 1.00 0.00 H new ATOM 0 HE2 TYR B 130 -16.650 -2.619 -3.629 1.00 0.00 H new ATOM 0 HH TYR B 130 -17.072 0.856 -4.254 1.00 0.00 H new ATOM 1769 N ALA B 131 -11.603 -3.837 -4.904 1.00 0.00 N ATOM 1770 CA ALA B 131 -11.196 -3.903 -3.506 1.00 0.00 C ATOM 1771 C ALA B 131 -9.838 -3.261 -3.347 1.00 0.00 C ATOM 1772 O ALA B 131 -9.555 -2.594 -2.354 1.00 0.00 O ATOM 1773 CB ALA B 131 -11.155 -5.347 -3.034 1.00 0.00 C ATOM 0 H ALA B 131 -11.741 -4.745 -5.347 1.00 0.00 H new ATOM 0 HA ALA B 131 -11.922 -3.365 -2.896 1.00 0.00 H new ATOM 0 HB1 ALA B 131 -10.849 -5.379 -1.988 1.00 0.00 H new ATOM 0 HB2 ALA B 131 -12.145 -5.792 -3.137 1.00 0.00 H new ATOM 0 HB3 ALA B 131 -10.441 -5.907 -3.638 1.00 0.00 H new ATOM 1779 N LEU B 132 -9.006 -3.466 -4.350 1.00 0.00 N ATOM 1780 CA LEU B 132 -7.671 -2.918 -4.354 1.00 0.00 C ATOM 1781 C LEU B 132 -7.698 -1.401 -4.229 1.00 0.00 C ATOM 1782 O LEU B 132 -7.012 -0.826 -3.390 1.00 0.00 O ATOM 1783 CB LEU B 132 -6.957 -3.324 -5.637 1.00 0.00 C ATOM 1784 CG LEU B 132 -5.453 -3.049 -5.662 1.00 0.00 C ATOM 1785 CD1 LEU B 132 -4.796 -3.783 -6.819 1.00 0.00 C ATOM 1786 CD2 LEU B 132 -5.187 -1.556 -5.754 1.00 0.00 C ATOM 0 H LEU B 132 -9.238 -4.014 -5.178 1.00 0.00 H new ATOM 0 HA LEU B 132 -7.132 -3.316 -3.494 1.00 0.00 H new ATOM 0 HB2 LEU B 132 -7.118 -4.389 -5.801 1.00 0.00 H new ATOM 0 HB3 LEU B 132 -7.420 -2.799 -6.473 1.00 0.00 H new ATOM 0 HG LEU B 132 -5.019 -3.418 -4.733 1.00 0.00 H new ATOM 0 HD11 LEU B 132 -3.726 -3.575 -6.821 1.00 0.00 H new ATOM 0 HD12 LEU B 132 -4.957 -4.855 -6.708 1.00 0.00 H new ATOM 0 HD13 LEU B 132 -5.233 -3.445 -7.759 1.00 0.00 H new ATOM 0 HD21 LEU B 132 -4.112 -1.378 -5.771 1.00 0.00 H new ATOM 0 HD22 LEU B 132 -5.634 -1.162 -6.667 1.00 0.00 H new ATOM 0 HD23 LEU B 132 -5.624 -1.055 -4.891 1.00 0.00 H new ATOM 1798 N GLU B 133 -8.490 -0.760 -5.078 1.00 0.00 N ATOM 1799 CA GLU B 133 -8.598 0.694 -5.078 1.00 0.00 C ATOM 1800 C GLU B 133 -9.045 1.229 -3.723 1.00 0.00 C ATOM 1801 O GLU B 133 -8.733 2.363 -3.360 1.00 0.00 O ATOM 1802 CB GLU B 133 -9.576 1.151 -6.161 1.00 0.00 C ATOM 1803 CG GLU B 133 -9.169 0.730 -7.564 1.00 0.00 C ATOM 1804 CD GLU B 133 -8.043 1.577 -8.124 1.00 0.00 C ATOM 1805 OE1 GLU B 133 -6.907 1.465 -7.616 1.00 0.00 O ATOM 1806 OE2 GLU B 133 -8.297 2.352 -9.070 1.00 0.00 O ATOM 0 H GLU B 133 -9.069 -1.225 -5.778 1.00 0.00 H new ATOM 0 HA GLU B 133 -7.606 1.095 -5.287 1.00 0.00 H new ATOM 0 HB2 GLU B 133 -10.564 0.746 -5.941 1.00 0.00 H new ATOM 0 HB3 GLU B 133 -9.662 2.237 -6.127 1.00 0.00 H new ATOM 0 HG2 GLU B 133 -8.860 -0.315 -7.550 1.00 0.00 H new ATOM 0 HG3 GLU B 133 -10.033 0.798 -8.225 1.00 0.00 H new ATOM 1813 N ARG B 134 -9.785 0.418 -2.985 1.00 0.00 N ATOM 1814 CA ARG B 134 -10.282 0.826 -1.677 1.00 0.00 C ATOM 1815 C ARG B 134 -9.222 0.662 -0.592 1.00 0.00 C ATOM 1816 O ARG B 134 -9.335 1.246 0.483 1.00 0.00 O ATOM 1817 CB ARG B 134 -11.540 0.040 -1.315 1.00 0.00 C ATOM 1818 CG ARG B 134 -12.807 0.870 -1.418 1.00 0.00 C ATOM 1819 CD ARG B 134 -14.044 0.032 -1.153 1.00 0.00 C ATOM 1820 NE ARG B 134 -15.158 0.840 -0.664 1.00 0.00 N ATOM 1821 CZ ARG B 134 -16.430 0.446 -0.695 1.00 0.00 C ATOM 1822 NH1 ARG B 134 -16.753 -0.742 -1.191 1.00 0.00 N ATOM 1823 NH2 ARG B 134 -17.381 1.243 -0.229 1.00 0.00 N ATOM 0 H ARG B 134 -10.055 -0.524 -3.266 1.00 0.00 H new ATOM 0 HA ARG B 134 -10.531 1.886 -1.737 1.00 0.00 H new ATOM 0 HB2 ARG B 134 -11.624 -0.825 -1.973 1.00 0.00 H new ATOM 0 HB3 ARG B 134 -11.444 -0.342 -0.299 1.00 0.00 H new ATOM 0 HG2 ARG B 134 -12.764 1.692 -0.704 1.00 0.00 H new ATOM 0 HG3 ARG B 134 -12.873 1.314 -2.411 1.00 0.00 H new ATOM 0 HD2 ARG B 134 -14.340 -0.477 -2.070 1.00 0.00 H new ATOM 0 HD3 ARG B 134 -13.808 -0.741 -0.422 1.00 0.00 H new ATOM 0 HE ARG B 134 -14.950 1.760 -0.276 1.00 0.00 H new ATOM 0 HH11 ARG B 134 -16.025 -1.359 -1.551 1.00 0.00 H new ATOM 0 HH12 ARG B 134 -17.729 -1.038 -1.212 1.00 0.00 H new ATOM 0 HH21 ARG B 134 -17.138 2.157 0.153 1.00 0.00 H new ATOM 0 HH22 ARG B 134 -18.355 0.942 -0.252 1.00 0.00 H new ATOM 1837 N LEU B 135 -8.189 -0.123 -0.877 1.00 0.00 N ATOM 1838 CA LEU B 135 -7.110 -0.335 0.074 1.00 0.00 C ATOM 1839 C LEU B 135 -6.161 0.860 0.080 1.00 0.00 C ATOM 1840 O LEU B 135 -5.408 1.061 1.034 1.00 0.00 O ATOM 1841 CB LEU B 135 -6.356 -1.626 -0.255 1.00 0.00 C ATOM 1842 CG LEU B 135 -7.222 -2.890 -0.264 1.00 0.00 C ATOM 1843 CD1 LEU B 135 -6.357 -4.136 -0.353 1.00 0.00 C ATOM 1844 CD2 LEU B 135 -8.108 -2.942 0.973 1.00 0.00 C ATOM 0 H LEU B 135 -8.078 -0.622 -1.760 1.00 0.00 H new ATOM 0 HA LEU B 135 -7.539 -0.434 1.071 1.00 0.00 H new ATOM 0 HB2 LEU B 135 -5.886 -1.517 -1.233 1.00 0.00 H new ATOM 0 HB3 LEU B 135 -5.554 -1.757 0.471 1.00 0.00 H new ATOM 0 HG LEU B 135 -7.863 -2.856 -1.145 1.00 0.00 H new ATOM 0 HD11 LEU B 135 -6.993 -5.021 -0.358 1.00 0.00 H new ATOM 0 HD12 LEU B 135 -5.770 -4.106 -1.271 1.00 0.00 H new ATOM 0 HD13 LEU B 135 -5.687 -4.176 0.506 1.00 0.00 H new ATOM 0 HD21 LEU B 135 -8.715 -3.847 0.948 1.00 0.00 H new ATOM 0 HD22 LEU B 135 -7.485 -2.948 1.867 1.00 0.00 H new ATOM 0 HD23 LEU B 135 -8.760 -2.068 0.991 1.00 0.00 H new