USER MOD reduce.3.24.130724 H: found=0, std=0, add=859, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 858 hydrogens (32 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 NoAdj-H: A 14 HIS HE2 : A 14 HIS NE2 : A 107 HECFE :(H bumps) USER MOD NoAdj-H: A 107 HEC HAC : A 107 HEC CAC : A 13 CYS SG :(H bumps) USER MOD NoAdj-H: A 107 HEC HAB : A 107 HEC CAB : A 10 CYS SG :(H bumps) USER MOD NoAdj-H: A 107 HEC H2A : A 107 HEC O2A : A 107 HEC CGA :(short bond) USER MOD Set 1.1: A 18 ASN : amide:sc= 0.965 K(o=2.1,f=-0.77) USER MOD Set 1.2: A 101 THR OG1 : rot -92:sc= 1.09 USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -0.0226 K(o=-0.023,f=-1.3) USER MOD Single : A 8 THR OG1 : rot -83:sc= 1.22 USER MOD Single : A 11 SER OG : rot 68:sc= 1.07 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -130:sc= 0.0959 USER MOD Single : A 19 THR OG1 : rot 75:sc= 1.2 USER MOD Single : A 23 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 34 THR OG1 : rot -38:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.128 X(o=-0.13,f=-0.36) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 47 LYS NZ :NH3+ 143:sc= 1.13 (180deg=0.363) USER MOD Single : A 51 GLN : amide:sc= -0.129 X(o=-0.13,f=-0.28) USER MOD Single : A 52 MET CE :methyl 172:sc= -0.0201 (180deg=-0.0314) USER MOD Single : A 56 LYS NZ :NH3+ 167:sc=-0.00853 (180deg=-0.16) USER MOD Single : A 61 MET CE :methyl -160:sc= -0.119 (180deg=-0.691) USER MOD Single : A 66 GLN : amide:sc= -0.0582 X(o=-0.058,f=-0.058) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.0419 K(o=-0.042,f=-1.5!) USER MOD Single : A 72 MET CE :methyl -167:sc=-0.00887 (180deg=-0.194) USER MOD Single : A 74 ASN : amide:sc= 1.2 K(o=1.2,f=-0.024) USER MOD Single : A 75 MET CE :methyl -170:sc= -0.0291 (180deg=-0.0638) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 75:sc= 0.726 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 91:sc= 1.18 USER MOD Single : A 97 GLN : amide:sc= 0.298 X(o=0.3,f=-0.059) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -0.0261 X(o=-0.026,f=-0.49) USER MOD Single : A 107 HEC O2D : rot 179:sc=-0.00563 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 12.422 7.797 8.089 1.00 2.82 N ATOM 2 CA SER A 1 11.339 8.596 7.491 1.00 3.36 C ATOM 3 C SER A 1 10.170 7.721 7.023 1.00 2.68 C ATOM 4 O SER A 1 9.021 8.079 7.257 1.00 3.85 O ATOM 5 CB SER A 1 11.859 9.465 6.340 1.00 4.43 C ATOM 6 OG SER A 1 12.593 10.558 6.872 1.00 5.40 O ATOM 0 H1 SER A 1 13.192 8.427 8.392 1.00 2.82 H new ATOM 0 H2 SER A 1 12.056 7.277 8.912 1.00 2.82 H new ATOM 0 H3 SER A 1 12.784 7.121 7.386 1.00 2.82 H new ATOM 0 HA SER A 1 10.963 9.254 8.274 1.00 3.36 H new ATOM 0 HB2 SER A 1 12.493 8.873 5.680 1.00 4.43 H new ATOM 0 HB3 SER A 1 11.026 9.830 5.739 1.00 4.43 H new ATOM 0 HG SER A 1 12.928 11.115 6.139 1.00 5.40 H new ATOM 12 N GLY A 2 10.435 6.548 6.442 1.00 1.38 N ATOM 13 CA GLY A 2 9.400 5.576 6.075 1.00 0.73 C ATOM 14 C GLY A 2 8.552 5.107 7.264 1.00 0.64 C ATOM 15 O GLY A 2 7.336 4.974 7.129 1.00 0.66 O ATOM 0 H GLY A 2 11.381 6.243 6.211 1.00 1.38 H new ATOM 0 HA2 GLY A 2 8.746 6.020 5.325 1.00 0.73 H new ATOM 0 HA3 GLY A 2 9.874 4.710 5.613 1.00 0.73 H new ATOM 19 N GLU A 3 9.150 4.952 8.448 1.00 0.78 N ATOM 20 CA GLU A 3 8.426 4.652 9.695 1.00 0.86 C ATOM 21 C GLU A 3 7.517 5.814 10.134 1.00 0.89 C ATOM 22 O GLU A 3 6.348 5.598 10.453 1.00 0.88 O ATOM 23 CB GLU A 3 9.434 4.315 10.804 1.00 1.15 C ATOM 24 CG GLU A 3 8.740 3.787 12.068 1.00 1.40 C ATOM 25 CD GLU A 3 9.777 3.356 13.100 1.00 2.15 C ATOM 26 OE1 GLU A 3 10.387 2.276 12.938 1.00 2.63 O ATOM 27 OE2 GLU A 3 10.029 4.101 14.080 1.00 3.52 O ATOM 0 H GLU A 3 10.159 5.031 8.574 1.00 0.78 H new ATOM 0 HA GLU A 3 7.780 3.794 9.509 1.00 0.86 H new ATOM 0 HB2 GLU A 3 10.140 3.569 10.439 1.00 1.15 H new ATOM 0 HB3 GLU A 3 10.012 5.205 11.052 1.00 1.15 H new ATOM 0 HG2 GLU A 3 8.098 4.561 12.489 1.00 1.40 H new ATOM 0 HG3 GLU A 3 8.098 2.944 11.813 1.00 1.40 H new ATOM 34 N GLN A 4 8.026 7.051 10.098 1.00 1.00 N ATOM 35 CA GLN A 4 7.256 8.264 10.421 1.00 1.18 C ATOM 36 C GLN A 4 6.062 8.448 9.464 1.00 1.07 C ATOM 37 O GLN A 4 4.968 8.834 9.881 1.00 1.19 O ATOM 38 CB GLN A 4 8.200 9.477 10.357 1.00 1.51 C ATOM 39 CG GLN A 4 9.253 9.482 11.483 1.00 1.92 C ATOM 40 CD GLN A 4 10.412 10.448 11.239 1.00 3.05 C ATOM 41 OE1 GLN A 4 10.679 10.923 10.141 1.00 3.87 O ATOM 42 NE2 GLN A 4 11.190 10.759 12.251 1.00 3.92 N ATOM 0 H GLN A 4 8.994 7.243 9.841 1.00 1.00 H new ATOM 0 HA GLN A 4 6.844 8.168 11.426 1.00 1.18 H new ATOM 0 HB2 GLN A 4 8.708 9.485 9.392 1.00 1.51 H new ATOM 0 HB3 GLN A 4 7.611 10.392 10.414 1.00 1.51 H new ATOM 0 HG2 GLN A 4 8.766 9.744 12.422 1.00 1.92 H new ATOM 0 HG3 GLN A 4 9.651 8.474 11.600 1.00 1.92 H new ATOM 0 HE21 GLN A 4 10.996 10.381 13.178 1.00 3.92 H new ATOM 0 HE22 GLN A 4 11.988 11.378 12.109 1.00 3.92 H new ATOM 51 N ILE A 5 6.248 8.107 8.185 1.00 0.93 N ATOM 52 CA ILE A 5 5.202 8.099 7.154 1.00 0.92 C ATOM 53 C ILE A 5 4.186 6.977 7.430 1.00 0.82 C ATOM 54 O ILE A 5 2.980 7.228 7.427 1.00 0.97 O ATOM 55 CB ILE A 5 5.864 8.008 5.759 1.00 0.89 C ATOM 56 CG1 ILE A 5 6.671 9.300 5.472 1.00 1.08 C ATOM 57 CG2 ILE A 5 4.814 7.827 4.647 1.00 1.17 C ATOM 58 CD1 ILE A 5 7.736 9.111 4.391 1.00 0.98 C ATOM 0 H ILE A 5 7.159 7.820 7.826 1.00 0.93 H new ATOM 0 HA ILE A 5 4.632 9.028 7.178 1.00 0.92 H new ATOM 0 HB ILE A 5 6.524 7.140 5.765 1.00 0.89 H new ATOM 0 HG12 ILE A 5 5.985 10.089 5.165 1.00 1.08 H new ATOM 0 HG13 ILE A 5 7.150 9.634 6.392 1.00 1.08 H new ATOM 0 HG21 ILE A 5 5.314 7.767 3.680 1.00 1.17 H new ATOM 0 HG22 ILE A 5 4.252 6.909 4.823 1.00 1.17 H new ATOM 0 HG23 ILE A 5 4.131 8.676 4.650 1.00 1.17 H new ATOM 0 HD11 ILE A 5 8.267 10.050 4.235 1.00 0.98 H new ATOM 0 HD12 ILE A 5 8.442 8.343 4.706 1.00 0.98 H new ATOM 0 HD13 ILE A 5 7.259 8.805 3.460 1.00 0.98 H new ATOM 70 N PHE A 6 4.632 5.760 7.763 1.00 0.66 N ATOM 71 CA PHE A 6 3.736 4.658 8.132 1.00 0.63 C ATOM 72 C PHE A 6 2.914 4.968 9.399 1.00 0.65 C ATOM 73 O PHE A 6 1.726 4.625 9.462 1.00 0.80 O ATOM 74 CB PHE A 6 4.540 3.358 8.286 1.00 0.66 C ATOM 75 CG PHE A 6 3.662 2.149 8.559 1.00 0.84 C ATOM 76 CD1 PHE A 6 2.924 1.568 7.510 1.00 1.57 C ATOM 77 CD2 PHE A 6 3.529 1.643 9.867 1.00 1.44 C ATOM 78 CE1 PHE A 6 2.036 0.509 7.770 1.00 1.75 C ATOM 79 CE2 PHE A 6 2.649 0.575 10.124 1.00 1.65 C ATOM 80 CZ PHE A 6 1.894 0.016 9.078 1.00 1.40 C ATOM 0 H PHE A 6 5.621 5.512 7.784 1.00 0.66 H new ATOM 0 HA PHE A 6 3.014 4.531 7.326 1.00 0.63 H new ATOM 0 HB2 PHE A 6 5.117 3.184 7.378 1.00 0.66 H new ATOM 0 HB3 PHE A 6 5.255 3.473 9.101 1.00 0.66 H new ATOM 0 HD1 PHE A 6 3.040 1.937 6.502 1.00 1.57 H new ATOM 0 HD2 PHE A 6 4.103 2.075 10.673 1.00 1.44 H new ATOM 0 HE1 PHE A 6 1.463 0.075 6.964 1.00 1.75 H new ATOM 0 HE2 PHE A 6 2.554 0.184 11.126 1.00 1.65 H new ATOM 0 HZ PHE A 6 1.206 -0.791 9.280 1.00 1.40 H new ATOM 90 N ARG A 7 3.493 5.669 10.386 1.00 0.75 N ATOM 91 CA ARG A 7 2.777 6.148 11.583 1.00 0.99 C ATOM 92 C ARG A 7 1.678 7.147 11.224 1.00 1.25 C ATOM 93 O ARG A 7 0.547 6.993 11.672 1.00 1.67 O ATOM 94 CB ARG A 7 3.793 6.788 12.551 1.00 1.36 C ATOM 95 CG ARG A 7 3.219 6.999 13.960 1.00 1.69 C ATOM 96 CD ARG A 7 3.143 5.652 14.678 1.00 2.09 C ATOM 97 NE ARG A 7 2.400 5.725 15.938 1.00 2.88 N ATOM 98 CZ ARG A 7 2.196 4.650 16.716 1.00 3.62 C ATOM 99 NH1 ARG A 7 2.755 3.472 16.399 1.00 3.91 N ATOM 100 NH2 ARG A 7 1.429 4.752 17.809 1.00 4.59 N ATOM 0 H ARG A 7 4.481 5.923 10.377 1.00 0.75 H new ATOM 0 HA ARG A 7 2.291 5.298 12.062 1.00 0.99 H new ATOM 0 HB2 ARG A 7 4.677 6.154 12.615 1.00 1.36 H new ATOM 0 HB3 ARG A 7 4.118 7.747 12.148 1.00 1.36 H new ATOM 0 HG2 ARG A 7 3.848 7.689 14.522 1.00 1.69 H new ATOM 0 HG3 ARG A 7 2.228 7.448 13.898 1.00 1.69 H new ATOM 0 HD2 ARG A 7 2.668 4.922 14.023 1.00 2.09 H new ATOM 0 HD3 ARG A 7 4.153 5.293 14.877 1.00 2.09 H new ATOM 0 HE ARG A 7 2.024 6.625 16.235 1.00 2.88 H new ATOM 0 HH11 ARG A 7 3.337 3.392 15.565 1.00 3.91 H new ATOM 0 HH12 ARG A 7 2.598 2.657 16.992 1.00 3.91 H new ATOM 0 HH21 ARG A 7 1.000 5.646 18.050 1.00 4.59 H new ATOM 0 HH22 ARG A 7 1.273 3.936 18.401 1.00 4.59 H new ATOM 114 N THR A 8 2.001 8.151 10.411 1.00 1.14 N ATOM 115 CA THR A 8 1.116 9.301 10.136 1.00 1.37 C ATOM 116 C THR A 8 0.075 9.072 9.040 1.00 1.38 C ATOM 117 O THR A 8 -0.987 9.696 9.079 1.00 1.63 O ATOM 118 CB THR A 8 1.941 10.552 9.807 1.00 1.59 C ATOM 119 OG1 THR A 8 2.891 10.279 8.798 1.00 1.61 O ATOM 120 CG2 THR A 8 2.714 11.070 11.015 1.00 1.70 C ATOM 0 H THR A 8 2.891 8.197 9.916 1.00 1.14 H new ATOM 0 HA THR A 8 0.552 9.441 11.058 1.00 1.37 H new ATOM 0 HB THR A 8 1.221 11.302 9.479 1.00 1.59 H new ATOM 0 HG1 THR A 8 3.690 9.879 9.201 1.00 1.61 H new ATOM 0 HG21 THR A 8 3.282 11.956 10.731 1.00 1.70 H new ATOM 0 HG22 THR A 8 2.015 11.327 11.811 1.00 1.70 H new ATOM 0 HG23 THR A 8 3.398 10.298 11.367 1.00 1.70 H new ATOM 128 N ARG A 9 0.335 8.176 8.078 1.00 1.21 N ATOM 129 CA ARG A 9 -0.572 7.888 6.949 1.00 1.38 C ATOM 130 C ARG A 9 -1.348 6.570 7.092 1.00 1.11 C ATOM 131 O ARG A 9 -2.504 6.498 6.669 1.00 1.26 O ATOM 132 CB ARG A 9 0.225 7.879 5.633 1.00 1.87 C ATOM 133 CG ARG A 9 1.005 9.155 5.287 1.00 1.81 C ATOM 134 CD ARG A 9 0.096 10.359 5.028 1.00 1.61 C ATOM 135 NE ARG A 9 0.867 11.462 4.438 1.00 1.79 N ATOM 136 CZ ARG A 9 0.451 12.732 4.306 1.00 2.17 C ATOM 137 NH1 ARG A 9 -0.755 13.128 4.745 1.00 2.73 N ATOM 138 NH2 ARG A 9 1.265 13.622 3.720 1.00 3.03 N ATOM 0 H ARG A 9 1.191 7.622 8.058 1.00 1.21 H new ATOM 0 HA ARG A 9 -1.318 8.683 6.946 1.00 1.38 H new ATOM 0 HB2 ARG A 9 0.931 7.049 5.669 1.00 1.87 H new ATOM 0 HB3 ARG A 9 -0.468 7.673 4.817 1.00 1.87 H new ATOM 0 HG2 ARG A 9 1.687 9.390 6.104 1.00 1.81 H new ATOM 0 HG3 ARG A 9 1.617 8.972 4.404 1.00 1.81 H new ATOM 0 HD2 ARG A 9 -0.715 10.074 4.358 1.00 1.61 H new ATOM 0 HD3 ARG A 9 -0.362 10.685 5.962 1.00 1.61 H new ATOM 0 HE ARG A 9 1.803 11.243 4.098 1.00 1.79 H new ATOM 0 HH11 ARG A 9 -1.381 12.458 5.192 1.00 2.73 H new ATOM 0 HH12 ARG A 9 -1.045 14.099 4.632 1.00 2.73 H new ATOM 0 HH21 ARG A 9 2.182 13.330 3.384 1.00 3.03 H new ATOM 0 HH22 ARG A 9 0.967 14.591 3.611 1.00 3.03 H new ATOM 152 N CYS A 10 -0.724 5.513 7.625 1.00 0.97 N ATOM 153 CA CYS A 10 -1.142 4.122 7.361 1.00 0.94 C ATOM 154 C CYS A 10 -1.531 3.287 8.590 1.00 0.81 C ATOM 155 O CYS A 10 -2.214 2.270 8.446 1.00 0.87 O ATOM 156 CB CYS A 10 -0.002 3.396 6.636 1.00 1.05 C ATOM 157 SG CYS A 10 0.770 4.276 5.245 1.00 1.14 S ATOM 0 H CYS A 10 0.080 5.591 8.248 1.00 0.97 H new ATOM 0 HA CYS A 10 -2.051 4.210 6.766 1.00 0.94 H new ATOM 0 HB2 CYS A 10 0.774 3.166 7.366 1.00 1.05 H new ATOM 0 HB3 CYS A 10 -0.385 2.444 6.267 1.00 1.05 H new ATOM 162 N SER A 11 -1.114 3.688 9.790 1.00 0.83 N ATOM 163 CA SER A 11 -1.266 2.921 11.037 1.00 0.89 C ATOM 164 C SER A 11 -2.698 2.886 11.590 1.00 1.00 C ATOM 165 O SER A 11 -2.993 2.045 12.443 1.00 1.87 O ATOM 166 CB SER A 11 -0.300 3.468 12.093 1.00 1.05 C ATOM 167 OG SER A 11 1.036 3.157 11.739 1.00 2.05 O ATOM 0 H SER A 11 -0.646 4.583 9.931 1.00 0.83 H new ATOM 0 HA SER A 11 -1.025 1.886 10.792 1.00 0.89 H new ATOM 0 HB2 SER A 11 -0.419 4.548 12.181 1.00 1.05 H new ATOM 0 HB3 SER A 11 -0.535 3.041 13.068 1.00 1.05 H new ATOM 0 HG SER A 11 1.289 3.665 10.940 1.00 2.05 H new ATOM 173 N SER A 12 -3.611 3.728 11.087 1.00 1.23 N ATOM 174 CA SER A 12 -5.051 3.696 11.412 1.00 1.42 C ATOM 175 C SER A 12 -5.833 2.531 10.770 1.00 1.17 C ATOM 176 O SER A 12 -7.031 2.386 11.033 1.00 1.53 O ATOM 177 CB SER A 12 -5.698 5.049 11.076 1.00 1.85 C ATOM 178 OG SER A 12 -5.768 5.264 9.675 1.00 3.31 O ATOM 0 H SER A 12 -3.368 4.468 10.428 1.00 1.23 H new ATOM 0 HA SER A 12 -5.111 3.512 12.485 1.00 1.42 H new ATOM 0 HB2 SER A 12 -6.701 5.088 11.501 1.00 1.85 H new ATOM 0 HB3 SER A 12 -5.124 5.852 11.539 1.00 1.85 H new ATOM 0 HG SER A 12 -6.186 6.132 9.498 1.00 3.31 H new ATOM 184 N CYS A 13 -5.181 1.704 9.933 1.00 0.82 N ATOM 185 CA CYS A 13 -5.808 0.554 9.255 1.00 0.75 C ATOM 186 C CYS A 13 -4.940 -0.712 9.088 1.00 0.78 C ATOM 187 O CYS A 13 -5.467 -1.721 8.614 1.00 1.04 O ATOM 188 CB CYS A 13 -6.267 0.974 7.855 1.00 0.81 C ATOM 189 SG CYS A 13 -7.563 2.244 7.744 1.00 0.77 S ATOM 0 H CYS A 13 -4.193 1.816 9.706 1.00 0.82 H new ATOM 0 HA CYS A 13 -6.624 0.276 9.922 1.00 0.75 H new ATOM 0 HB2 CYS A 13 -5.395 1.334 7.309 1.00 0.81 H new ATOM 0 HB3 CYS A 13 -6.623 0.084 7.336 1.00 0.81 H new ATOM 194 N HIS A 14 -3.637 -0.672 9.405 1.00 0.76 N ATOM 195 CA HIS A 14 -2.678 -1.746 9.098 1.00 0.78 C ATOM 196 C HIS A 14 -1.646 -2.027 10.206 1.00 0.77 C ATOM 197 O HIS A 14 -1.496 -1.293 11.185 1.00 0.96 O ATOM 198 CB HIS A 14 -1.930 -1.390 7.796 1.00 1.06 C ATOM 199 CG HIS A 14 -2.749 -1.503 6.546 1.00 0.66 C ATOM 200 ND1 HIS A 14 -3.449 -2.597 6.104 1.00 1.90 N ATOM 201 CD2 HIS A 14 -2.791 -0.560 5.571 1.00 0.89 C ATOM 202 CE1 HIS A 14 -3.918 -2.302 4.875 1.00 2.17 C ATOM 203 NE2 HIS A 14 -3.535 -1.061 4.488 1.00 0.93 N ATOM 0 H HIS A 14 -3.213 0.119 9.889 1.00 0.76 H new ATOM 0 HA HIS A 14 -3.268 -2.657 8.999 1.00 0.78 H new ATOM 0 HB2 HIS A 14 -1.556 -0.369 7.877 1.00 1.06 H new ATOM 0 HB3 HIS A 14 -1.061 -2.042 7.704 1.00 1.06 H new ATOM 0 HD1 HIS A 14 -3.589 -3.471 6.611 1.00 1.90 H new ATOM 0 HD2 HIS A 14 -2.329 0.415 5.619 1.00 0.89 H new ATOM 0 HE1 HIS A 14 -4.521 -2.969 4.276 1.00 2.17 H new ATOM 211 N THR A 15 -0.871 -3.079 9.942 1.00 0.75 N ATOM 212 CA THR A 15 0.416 -3.436 10.569 1.00 0.85 C ATOM 213 C THR A 15 1.384 -3.943 9.491 1.00 0.73 C ATOM 214 O THR A 15 0.986 -4.157 8.346 1.00 0.76 O ATOM 215 CB THR A 15 0.272 -4.495 11.684 1.00 1.13 C ATOM 216 OG1 THR A 15 -0.331 -5.691 11.240 1.00 1.59 O ATOM 217 CG2 THR A 15 -0.512 -3.993 12.890 1.00 1.35 C ATOM 0 H THR A 15 -1.141 -3.759 9.232 1.00 0.75 H new ATOM 0 HA THR A 15 0.806 -2.534 11.041 1.00 0.85 H new ATOM 0 HB THR A 15 1.301 -4.698 11.981 1.00 1.13 H new ATOM 0 HG1 THR A 15 -1.058 -5.936 11.849 1.00 1.59 H new ATOM 0 HG21 THR A 15 -0.577 -4.784 13.637 1.00 1.35 H new ATOM 0 HG22 THR A 15 -0.005 -3.129 13.320 1.00 1.35 H new ATOM 0 HG23 THR A 15 -1.516 -3.706 12.577 1.00 1.35 H new ATOM 225 N VAL A 16 2.657 -4.162 9.819 1.00 0.86 N ATOM 226 CA VAL A 16 3.616 -4.887 8.962 1.00 0.86 C ATOM 227 C VAL A 16 4.013 -6.171 9.686 1.00 1.10 C ATOM 228 O VAL A 16 4.796 -6.147 10.632 1.00 1.39 O ATOM 229 CB VAL A 16 4.820 -4.005 8.566 1.00 1.06 C ATOM 230 CG1 VAL A 16 5.713 -4.735 7.555 1.00 1.72 C ATOM 231 CG2 VAL A 16 4.362 -2.686 7.924 1.00 1.29 C ATOM 0 H VAL A 16 3.064 -3.840 10.697 1.00 0.86 H new ATOM 0 HA VAL A 16 3.151 -5.150 8.012 1.00 0.86 H new ATOM 0 HB VAL A 16 5.373 -3.794 9.481 1.00 1.06 H new ATOM 0 HG11 VAL A 16 6.556 -4.098 7.288 1.00 1.72 H new ATOM 0 HG12 VAL A 16 6.083 -5.660 7.998 1.00 1.72 H new ATOM 0 HG13 VAL A 16 5.135 -4.967 6.660 1.00 1.72 H new ATOM 0 HG21 VAL A 16 5.234 -2.089 7.657 1.00 1.29 H new ATOM 0 HG22 VAL A 16 3.781 -2.900 7.027 1.00 1.29 H new ATOM 0 HG23 VAL A 16 3.746 -2.132 8.632 1.00 1.29 H new ATOM 241 N GLY A 17 3.377 -7.287 9.323 1.00 1.25 N ATOM 242 CA GLY A 17 3.509 -8.596 9.982 1.00 1.59 C ATOM 243 C GLY A 17 2.806 -8.724 11.342 1.00 1.82 C ATOM 244 O GLY A 17 2.253 -9.785 11.646 1.00 2.69 O ATOM 0 H GLY A 17 2.731 -7.309 8.534 1.00 1.25 H new ATOM 0 HA2 GLY A 17 3.113 -9.361 9.314 1.00 1.59 H new ATOM 0 HA3 GLY A 17 4.569 -8.809 10.119 1.00 1.59 H new ATOM 248 N ASN A 18 2.773 -7.654 12.148 1.00 1.68 N ATOM 249 CA ASN A 18 2.516 -7.725 13.593 1.00 2.12 C ATOM 250 C ASN A 18 1.199 -8.415 13.989 1.00 2.34 C ATOM 251 O ASN A 18 1.209 -9.181 14.950 1.00 3.48 O ATOM 252 CB ASN A 18 2.617 -6.320 14.219 1.00 2.44 C ATOM 253 CG ASN A 18 3.373 -6.331 15.538 1.00 3.25 C ATOM 254 OD1 ASN A 18 4.363 -5.635 15.700 1.00 4.13 O ATOM 255 ND2 ASN A 18 2.988 -7.126 16.503 1.00 3.98 N ATOM 0 H ASN A 18 2.926 -6.704 11.811 1.00 1.68 H new ATOM 0 HA ASN A 18 3.295 -8.372 13.998 1.00 2.12 H new ATOM 0 HB2 ASN A 18 3.117 -5.649 13.521 1.00 2.44 H new ATOM 0 HB3 ASN A 18 1.615 -5.923 14.380 1.00 2.44 H new ATOM 0 HD21 ASN A 18 3.513 -7.159 17.377 1.00 3.98 H new ATOM 0 HD22 ASN A 18 2.163 -7.713 16.382 1.00 3.98 H new ATOM 262 N THR A 19 0.106 -8.188 13.243 1.00 2.30 N ATOM 263 CA THR A 19 -1.173 -8.925 13.378 1.00 2.96 C ATOM 264 C THR A 19 -1.671 -8.996 14.834 1.00 3.37 C ATOM 265 O THR A 19 -1.838 -10.072 15.414 1.00 4.25 O ATOM 266 CB THR A 19 -1.083 -10.310 12.701 1.00 3.89 C ATOM 267 OG1 THR A 19 -0.481 -10.196 11.424 1.00 4.27 O ATOM 268 CG2 THR A 19 -2.440 -10.965 12.443 1.00 4.86 C ATOM 0 H THR A 19 0.080 -7.475 12.514 1.00 2.30 H new ATOM 0 HA THR A 19 -1.936 -8.356 12.847 1.00 2.96 H new ATOM 0 HB THR A 19 -0.507 -10.917 13.400 1.00 3.89 H new ATOM 0 HG1 THR A 19 0.485 -10.066 11.528 1.00 4.27 H new ATOM 0 HG21 THR A 19 -2.292 -11.934 11.966 1.00 4.86 H new ATOM 0 HG22 THR A 19 -2.963 -11.103 13.389 1.00 4.86 H new ATOM 0 HG23 THR A 19 -3.034 -10.326 11.790 1.00 4.86 H new ATOM 276 N GLU A 20 -1.839 -7.840 15.475 1.00 3.54 N ATOM 277 CA GLU A 20 -2.276 -7.725 16.878 1.00 4.41 C ATOM 278 C GLU A 20 -3.819 -7.742 16.989 1.00 4.67 C ATOM 279 O GLU A 20 -4.495 -7.257 16.080 1.00 4.58 O ATOM 280 CB GLU A 20 -1.668 -6.464 17.517 1.00 5.30 C ATOM 281 CG GLU A 20 -0.129 -6.413 17.522 1.00 5.82 C ATOM 282 CD GLU A 20 0.514 -7.366 18.542 1.00 6.94 C ATOM 283 OE1 GLU A 20 0.396 -8.601 18.385 1.00 7.58 O ATOM 284 OE2 GLU A 20 1.137 -6.875 19.516 1.00 7.71 O ATOM 0 H GLU A 20 -1.674 -6.937 15.031 1.00 3.54 H new ATOM 0 HA GLU A 20 -1.913 -8.592 17.430 1.00 4.41 H new ATOM 0 HB2 GLU A 20 -2.044 -5.589 16.986 1.00 5.30 H new ATOM 0 HB3 GLU A 20 -2.022 -6.389 18.545 1.00 5.30 H new ATOM 0 HG2 GLU A 20 0.238 -6.659 16.526 1.00 5.82 H new ATOM 0 HG3 GLU A 20 0.192 -5.394 17.737 1.00 5.82 H new ATOM 291 N PRO A 21 -4.419 -8.289 18.063 1.00 5.44 N ATOM 292 CA PRO A 21 -5.871 -8.475 18.140 1.00 6.03 C ATOM 293 C PRO A 21 -6.612 -7.176 18.497 1.00 6.31 C ATOM 294 O PRO A 21 -6.421 -6.604 19.577 1.00 6.55 O ATOM 295 CB PRO A 21 -6.076 -9.588 19.171 1.00 6.91 C ATOM 296 CG PRO A 21 -4.874 -9.439 20.103 1.00 7.03 C ATOM 297 CD PRO A 21 -3.758 -8.943 19.184 1.00 6.09 C ATOM 0 HA PRO A 21 -6.295 -8.752 17.175 1.00 6.03 H new ATOM 0 HB2 PRO A 21 -7.017 -9.469 19.708 1.00 6.91 H new ATOM 0 HB3 PRO A 21 -6.099 -10.571 18.701 1.00 6.91 H new ATOM 0 HG2 PRO A 21 -5.076 -8.730 20.906 1.00 7.03 H new ATOM 0 HG3 PRO A 21 -4.613 -10.387 20.573 1.00 7.03 H new ATOM 0 HD2 PRO A 21 -3.101 -8.249 19.708 1.00 6.09 H new ATOM 0 HD3 PRO A 21 -3.138 -9.771 18.841 1.00 6.09 H new ATOM 305 N GLY A 22 -7.461 -6.698 17.581 1.00 6.73 N ATOM 306 CA GLY A 22 -8.290 -5.489 17.730 1.00 7.29 C ATOM 307 C GLY A 22 -7.551 -4.146 17.611 1.00 7.21 C ATOM 308 O GLY A 22 -8.199 -3.111 17.455 1.00 7.80 O ATOM 0 H GLY A 22 -7.597 -7.157 16.680 1.00 6.73 H new ATOM 0 HA2 GLY A 22 -9.076 -5.516 16.976 1.00 7.29 H new ATOM 0 HA3 GLY A 22 -8.780 -5.526 18.703 1.00 7.29 H new ATOM 312 N GLN A 23 -6.217 -4.133 17.643 1.00 7.20 N ATOM 313 CA GLN A 23 -5.388 -2.917 17.576 1.00 7.93 C ATOM 314 C GLN A 23 -5.323 -2.230 16.190 1.00 7.13 C ATOM 315 O GLN A 23 -5.350 -0.999 16.173 1.00 7.46 O ATOM 316 CB GLN A 23 -3.950 -3.210 18.045 1.00 9.16 C ATOM 317 CG GLN A 23 -3.827 -3.880 19.420 1.00 10.03 C ATOM 318 CD GLN A 23 -4.151 -2.986 20.611 1.00 11.28 C ATOM 319 OE1 GLN A 23 -4.556 -1.834 20.502 1.00 11.74 O ATOM 320 NE2 GLN A 23 -3.978 -3.497 21.803 1.00 12.21 N ATOM 0 H GLN A 23 -5.664 -4.987 17.718 1.00 7.20 H new ATOM 0 HA GLN A 23 -5.893 -2.218 18.243 1.00 7.93 H new ATOM 0 HB2 GLN A 23 -3.468 -3.849 17.305 1.00 9.16 H new ATOM 0 HB3 GLN A 23 -3.395 -2.272 18.066 1.00 9.16 H new ATOM 0 HG2 GLN A 23 -4.490 -4.745 19.445 1.00 10.03 H new ATOM 0 HG3 GLN A 23 -2.810 -4.254 19.534 1.00 10.03 H new ATOM 0 HE21 GLN A 23 -3.641 -4.455 21.903 1.00 12.21 H new ATOM 0 HE22 GLN A 23 -4.180 -2.938 22.632 1.00 12.21 H new ATOM 329 N PRO A 24 -5.245 -2.936 15.036 1.00 6.50 N ATOM 330 CA PRO A 24 -4.921 -2.315 13.740 1.00 6.23 C ATOM 331 C PRO A 24 -6.011 -1.447 13.099 1.00 5.96 C ATOM 332 O PRO A 24 -5.873 -1.034 11.948 1.00 6.58 O ATOM 333 CB PRO A 24 -4.548 -3.467 12.798 1.00 6.30 C ATOM 334 CG PRO A 24 -4.153 -4.601 13.737 1.00 7.06 C ATOM 335 CD PRO A 24 -5.101 -4.381 14.903 1.00 6.71 C ATOM 0 HA PRO A 24 -4.115 -1.604 13.919 1.00 6.23 H new ATOM 0 HB2 PRO A 24 -5.387 -3.750 12.162 1.00 6.30 H new ATOM 0 HB3 PRO A 24 -3.726 -3.192 12.137 1.00 6.30 H new ATOM 0 HG2 PRO A 24 -4.290 -5.580 13.277 1.00 7.06 H new ATOM 0 HG3 PRO A 24 -3.108 -4.535 14.041 1.00 7.06 H new ATOM 0 HD2 PRO A 24 -6.065 -4.854 14.717 1.00 6.71 H new ATOM 0 HD3 PRO A 24 -4.703 -4.819 15.818 1.00 6.71 H new ATOM 343 N GLY A 25 -7.128 -1.218 13.787 1.00 5.56 N ATOM 344 CA GLY A 25 -8.314 -0.616 13.190 1.00 5.39 C ATOM 345 C GLY A 25 -8.952 -1.553 12.164 1.00 4.02 C ATOM 346 O GLY A 25 -9.568 -2.559 12.525 1.00 4.41 O ATOM 0 H GLY A 25 -7.234 -1.446 14.776 1.00 5.56 H new ATOM 0 HA2 GLY A 25 -9.037 -0.380 13.970 1.00 5.39 H new ATOM 0 HA3 GLY A 25 -8.045 0.325 12.710 1.00 5.39 H new ATOM 350 N ILE A 26 -8.833 -1.193 10.886 1.00 2.87 N ATOM 351 CA ILE A 26 -9.659 -1.707 9.785 1.00 1.83 C ATOM 352 C ILE A 26 -9.278 -3.119 9.302 1.00 1.86 C ATOM 353 O ILE A 26 -10.188 -3.902 8.989 1.00 2.81 O ATOM 354 CB ILE A 26 -9.657 -0.659 8.637 1.00 1.33 C ATOM 355 CG1 ILE A 26 -10.724 0.445 8.818 1.00 2.07 C ATOM 356 CG2 ILE A 26 -9.864 -1.268 7.240 1.00 1.28 C ATOM 357 CD1 ILE A 26 -10.602 1.272 10.103 1.00 1.60 C ATOM 0 H ILE A 26 -8.138 -0.514 10.575 1.00 2.87 H new ATOM 0 HA ILE A 26 -10.672 -1.841 10.163 1.00 1.83 H new ATOM 0 HB ILE A 26 -8.658 -0.228 8.701 1.00 1.33 H new ATOM 0 HG12 ILE A 26 -10.672 1.121 7.965 1.00 2.07 H new ATOM 0 HG13 ILE A 26 -11.710 -0.019 8.797 1.00 2.07 H new ATOM 0 HG21 ILE A 26 -9.851 -0.475 6.492 1.00 1.28 H new ATOM 0 HG22 ILE A 26 -9.064 -1.978 7.031 1.00 1.28 H new ATOM 0 HG23 ILE A 26 -10.824 -1.783 7.206 1.00 1.28 H new ATOM 0 HD11 ILE A 26 -11.397 2.018 10.133 1.00 1.60 H new ATOM 0 HD12 ILE A 26 -10.688 0.615 10.968 1.00 1.60 H new ATOM 0 HD13 ILE A 26 -9.634 1.773 10.123 1.00 1.60 H new ATOM 369 N GLY A 27 -7.984 -3.450 9.172 1.00 1.60 N ATOM 370 CA GLY A 27 -7.557 -4.513 8.250 1.00 2.23 C ATOM 371 C GLY A 27 -6.249 -5.253 8.569 1.00 1.65 C ATOM 372 O GLY A 27 -5.739 -5.165 9.693 1.00 1.79 O ATOM 0 H GLY A 27 -7.224 -3.004 9.686 1.00 1.60 H new ATOM 0 HA2 GLY A 27 -8.356 -5.252 8.198 1.00 2.23 H new ATOM 0 HA3 GLY A 27 -7.461 -4.076 7.256 1.00 2.23 H new ATOM 376 N PRO A 28 -5.741 -6.041 7.602 1.00 1.61 N ATOM 377 CA PRO A 28 -4.649 -6.995 7.796 1.00 1.67 C ATOM 378 C PRO A 28 -3.259 -6.370 7.606 1.00 1.21 C ATOM 379 O PRO A 28 -3.112 -5.200 7.234 1.00 1.14 O ATOM 380 CB PRO A 28 -4.923 -8.102 6.773 1.00 2.47 C ATOM 381 CG PRO A 28 -5.482 -7.316 5.592 1.00 2.51 C ATOM 382 CD PRO A 28 -6.327 -6.239 6.277 1.00 2.14 C ATOM 0 HA PRO A 28 -4.627 -7.368 8.820 1.00 1.67 H new ATOM 0 HB2 PRO A 28 -4.016 -8.645 6.508 1.00 2.47 H new ATOM 0 HB3 PRO A 28 -5.636 -8.836 7.148 1.00 2.47 H new ATOM 0 HG2 PRO A 28 -4.689 -6.882 4.982 1.00 2.51 H new ATOM 0 HG3 PRO A 28 -6.082 -7.945 4.934 1.00 2.51 H new ATOM 0 HD2 PRO A 28 -6.315 -5.312 5.704 1.00 2.14 H new ATOM 0 HD3 PRO A 28 -7.368 -6.552 6.355 1.00 2.14 H new ATOM 390 N ASP A 29 -2.228 -7.175 7.861 1.00 1.30 N ATOM 391 CA ASP A 29 -0.825 -6.766 7.778 1.00 1.12 C ATOM 392 C ASP A 29 -0.274 -6.656 6.336 1.00 1.00 C ATOM 393 O ASP A 29 -0.855 -7.209 5.401 1.00 1.34 O ATOM 394 CB ASP A 29 0.023 -7.709 8.640 1.00 1.57 C ATOM 395 CG ASP A 29 0.532 -8.919 7.850 1.00 1.82 C ATOM 396 OD1 ASP A 29 1.612 -8.793 7.237 1.00 2.85 O ATOM 397 OD2 ASP A 29 -0.152 -9.968 7.797 1.00 2.91 O ATOM 0 H ASP A 29 -2.347 -8.150 8.137 1.00 1.30 H new ATOM 0 HA ASP A 29 -0.764 -5.749 8.165 1.00 1.12 H new ATOM 0 HB2 ASP A 29 0.872 -7.160 9.047 1.00 1.57 H new ATOM 0 HB3 ASP A 29 -0.569 -8.054 9.487 1.00 1.57 H new ATOM 402 N LEU A 30 0.877 -5.988 6.171 1.00 0.75 N ATOM 403 CA LEU A 30 1.548 -5.702 4.886 1.00 0.77 C ATOM 404 C LEU A 30 2.934 -6.365 4.686 1.00 0.79 C ATOM 405 O LEU A 30 3.681 -5.965 3.791 1.00 0.97 O ATOM 406 CB LEU A 30 1.663 -4.177 4.710 1.00 0.87 C ATOM 407 CG LEU A 30 0.361 -3.383 4.875 1.00 0.88 C ATOM 408 CD1 LEU A 30 0.660 -1.899 4.662 1.00 1.09 C ATOM 409 CD2 LEU A 30 -0.699 -3.809 3.856 1.00 1.17 C ATOM 0 H LEU A 30 1.394 -5.613 6.966 1.00 0.75 H new ATOM 0 HA LEU A 30 0.918 -6.154 4.120 1.00 0.77 H new ATOM 0 HB2 LEU A 30 2.389 -3.801 5.431 1.00 0.87 H new ATOM 0 HB3 LEU A 30 2.066 -3.975 3.718 1.00 0.87 H new ATOM 0 HG LEU A 30 -0.025 -3.575 5.876 1.00 0.88 H new ATOM 0 HD11 LEU A 30 -0.258 -1.323 4.777 1.00 1.09 H new ATOM 0 HD12 LEU A 30 1.392 -1.566 5.398 1.00 1.09 H new ATOM 0 HD13 LEU A 30 1.060 -1.749 3.659 1.00 1.09 H new ATOM 0 HD21 LEU A 30 -1.605 -3.223 4.007 1.00 1.17 H new ATOM 0 HD22 LEU A 30 -0.322 -3.641 2.847 1.00 1.17 H new ATOM 0 HD23 LEU A 30 -0.925 -4.867 3.987 1.00 1.17 H new ATOM 421 N LEU A 31 3.321 -7.349 5.501 1.00 0.87 N ATOM 422 CA LEU A 31 4.596 -8.061 5.344 1.00 1.05 C ATOM 423 C LEU A 31 4.581 -8.993 4.123 1.00 1.23 C ATOM 424 O LEU A 31 3.595 -9.684 3.854 1.00 1.87 O ATOM 425 CB LEU A 31 4.948 -8.763 6.654 1.00 1.09 C ATOM 426 CG LEU A 31 6.345 -9.403 6.647 1.00 1.50 C ATOM 427 CD1 LEU A 31 7.013 -9.202 7.998 1.00 2.03 C ATOM 428 CD2 LEU A 31 6.298 -10.887 6.308 1.00 2.54 C ATOM 0 H LEU A 31 2.761 -7.676 6.289 1.00 0.87 H new ATOM 0 HA LEU A 31 5.392 -7.346 5.135 1.00 1.05 H new ATOM 0 HB2 LEU A 31 4.890 -8.043 7.470 1.00 1.09 H new ATOM 0 HB3 LEU A 31 4.204 -9.534 6.856 1.00 1.09 H new ATOM 0 HG LEU A 31 6.926 -8.909 5.869 1.00 1.50 H new ATOM 0 HD11 LEU A 31 8.003 -9.658 7.986 1.00 2.03 H new ATOM 0 HD12 LEU A 31 7.107 -8.135 8.202 1.00 2.03 H new ATOM 0 HD13 LEU A 31 6.408 -9.668 8.776 1.00 2.03 H new ATOM 0 HD21 LEU A 31 7.309 -11.294 6.316 1.00 2.54 H new ATOM 0 HD22 LEU A 31 5.691 -11.410 7.047 1.00 2.54 H new ATOM 0 HD23 LEU A 31 5.860 -11.021 5.319 1.00 2.54 H new ATOM 440 N GLY A 32 5.688 -9.017 3.385 1.00 1.12 N ATOM 441 CA GLY A 32 5.925 -9.882 2.216 1.00 1.22 C ATOM 442 C GLY A 32 5.118 -9.560 0.944 1.00 1.17 C ATOM 443 O GLY A 32 5.666 -9.672 -0.154 1.00 1.05 O ATOM 0 H GLY A 32 6.483 -8.411 3.588 1.00 1.12 H new ATOM 0 HA2 GLY A 32 6.985 -9.836 1.967 1.00 1.22 H new ATOM 0 HA3 GLY A 32 5.710 -10.911 2.504 1.00 1.22 H new ATOM 447 N VAL A 33 3.878 -9.057 1.031 1.00 1.49 N ATOM 448 CA VAL A 33 3.075 -8.674 -0.145 1.00 1.45 C ATOM 449 C VAL A 33 3.790 -7.646 -1.026 1.00 1.07 C ATOM 450 O VAL A 33 3.752 -7.753 -2.249 1.00 0.92 O ATOM 451 CB VAL A 33 1.679 -8.166 0.257 1.00 2.00 C ATOM 452 CG1 VAL A 33 0.875 -9.226 1.012 1.00 4.23 C ATOM 453 CG2 VAL A 33 1.672 -6.881 1.091 1.00 1.71 C ATOM 0 H VAL A 33 3.401 -8.903 1.919 1.00 1.49 H new ATOM 0 HA VAL A 33 2.947 -9.581 -0.736 1.00 1.45 H new ATOM 0 HB VAL A 33 1.214 -7.939 -0.702 1.00 2.00 H new ATOM 0 HG11 VAL A 33 -0.103 -8.822 1.275 1.00 4.23 H new ATOM 0 HG12 VAL A 33 0.747 -10.104 0.379 1.00 4.23 H new ATOM 0 HG13 VAL A 33 1.407 -9.508 1.920 1.00 4.23 H new ATOM 0 HG21 VAL A 33 0.644 -6.604 1.324 1.00 1.71 H new ATOM 0 HG22 VAL A 33 2.222 -7.045 2.017 1.00 1.71 H new ATOM 0 HG23 VAL A 33 2.145 -6.078 0.526 1.00 1.71 H new ATOM 463 N THR A 34 4.573 -6.752 -0.404 1.00 1.31 N ATOM 464 CA THR A 34 5.421 -5.748 -1.071 1.00 1.68 C ATOM 465 C THR A 34 6.431 -6.336 -2.066 1.00 1.69 C ATOM 466 O THR A 34 6.891 -5.611 -2.948 1.00 2.28 O ATOM 467 CB THR A 34 6.145 -4.891 -0.014 1.00 2.21 C ATOM 468 OG1 THR A 34 6.444 -3.616 -0.527 1.00 3.29 O ATOM 469 CG2 THR A 34 7.420 -5.523 0.552 1.00 1.91 C ATOM 0 H THR A 34 4.637 -6.705 0.613 1.00 1.31 H new ATOM 0 HA THR A 34 4.749 -5.130 -1.667 1.00 1.68 H new ATOM 0 HB THR A 34 5.443 -4.815 0.817 1.00 2.21 H new ATOM 0 HG1 THR A 34 6.703 -3.695 -1.469 1.00 3.29 H new ATOM 0 HG21 THR A 34 7.863 -4.852 1.288 1.00 1.91 H new ATOM 0 HG22 THR A 34 7.175 -6.472 1.028 1.00 1.91 H new ATOM 0 HG23 THR A 34 8.131 -5.695 -0.256 1.00 1.91 H new ATOM 477 N ARG A 35 6.789 -7.626 -1.935 1.00 1.39 N ATOM 478 CA ARG A 35 7.670 -8.350 -2.866 1.00 1.90 C ATOM 479 C ARG A 35 6.968 -9.469 -3.651 1.00 1.88 C ATOM 480 O ARG A 35 7.399 -9.766 -4.766 1.00 2.70 O ATOM 481 CB ARG A 35 8.974 -8.795 -2.183 1.00 2.31 C ATOM 482 CG ARG A 35 8.829 -9.917 -1.141 1.00 1.97 C ATOM 483 CD ARG A 35 10.182 -10.303 -0.527 1.00 2.56 C ATOM 484 NE ARG A 35 11.118 -10.835 -1.530 1.00 3.59 N ATOM 485 CZ ARG A 35 12.451 -10.942 -1.378 1.00 4.77 C ATOM 486 NH1 ARG A 35 13.061 -10.601 -0.231 1.00 5.22 N ATOM 487 NH2 ARG A 35 13.190 -11.395 -2.400 1.00 6.13 N ATOM 0 H ARG A 35 6.466 -8.206 -1.161 1.00 1.39 H new ATOM 0 HA ARG A 35 7.953 -7.633 -3.637 1.00 1.90 H new ATOM 0 HB2 ARG A 35 9.671 -9.126 -2.952 1.00 2.31 H new ATOM 0 HB3 ARG A 35 9.423 -7.928 -1.697 1.00 2.31 H new ATOM 0 HG2 ARG A 35 8.150 -9.594 -0.351 1.00 1.97 H new ATOM 0 HG3 ARG A 35 8.379 -10.792 -1.610 1.00 1.97 H new ATOM 0 HD2 ARG A 35 10.624 -9.429 -0.048 1.00 2.56 H new ATOM 0 HD3 ARG A 35 10.025 -11.049 0.252 1.00 2.56 H new ATOM 0 HE ARG A 35 10.723 -11.150 -2.416 1.00 3.59 H new ATOM 0 HH11 ARG A 35 12.512 -10.250 0.554 1.00 5.22 H new ATOM 0 HH12 ARG A 35 14.073 -10.693 -0.145 1.00 5.22 H new ATOM 0 HH21 ARG A 35 12.741 -11.653 -3.279 1.00 6.13 H new ATOM 0 HH22 ARG A 35 14.201 -11.481 -2.299 1.00 6.13 H new ATOM 501 N GLN A 36 5.879 -10.042 -3.124 1.00 1.26 N ATOM 502 CA GLN A 36 5.090 -11.089 -3.798 1.00 1.64 C ATOM 503 C GLN A 36 4.122 -10.553 -4.866 1.00 1.52 C ATOM 504 O GLN A 36 3.922 -11.231 -5.881 1.00 2.13 O ATOM 505 CB GLN A 36 4.328 -11.934 -2.761 1.00 1.91 C ATOM 506 CG GLN A 36 5.247 -12.874 -1.961 1.00 2.73 C ATOM 507 CD GLN A 36 5.912 -13.958 -2.814 1.00 4.47 C ATOM 508 OE1 GLN A 36 5.393 -14.429 -3.822 1.00 5.33 O ATOM 509 NE2 GLN A 36 7.093 -14.387 -2.454 1.00 5.73 N ATOM 0 H GLN A 36 5.514 -9.790 -2.206 1.00 1.26 H new ATOM 0 HA GLN A 36 5.809 -11.711 -4.331 1.00 1.64 H new ATOM 0 HB2 GLN A 36 3.807 -11.270 -2.071 1.00 1.91 H new ATOM 0 HB3 GLN A 36 3.567 -12.525 -3.270 1.00 1.91 H new ATOM 0 HG2 GLN A 36 6.021 -12.282 -1.473 1.00 2.73 H new ATOM 0 HG3 GLN A 36 4.666 -13.351 -1.172 1.00 2.73 H new ATOM 0 HE21 GLN A 36 7.541 -14.008 -1.620 1.00 5.73 H new ATOM 0 HE22 GLN A 36 7.567 -15.101 -3.008 1.00 5.73 H new ATOM 518 N ARG A 37 3.549 -9.351 -4.701 1.00 1.01 N ATOM 519 CA ARG A 37 2.806 -8.652 -5.769 1.00 1.11 C ATOM 520 C ARG A 37 3.762 -7.794 -6.616 1.00 1.11 C ATOM 521 O ARG A 37 4.892 -7.520 -6.212 1.00 1.63 O ATOM 522 CB ARG A 37 1.593 -7.879 -5.227 1.00 1.38 C ATOM 523 CG ARG A 37 0.606 -8.816 -4.507 1.00 1.79 C ATOM 524 CD ARG A 37 -0.836 -8.300 -4.587 1.00 1.40 C ATOM 525 NE ARG A 37 -1.712 -9.000 -3.634 1.00 1.31 N ATOM 526 CZ ARG A 37 -2.478 -10.077 -3.880 1.00 1.75 C ATOM 527 NH1 ARG A 37 -2.505 -10.671 -5.082 1.00 2.45 N ATOM 528 NH2 ARG A 37 -3.239 -10.566 -2.891 1.00 2.06 N ATOM 0 H ARG A 37 3.586 -8.833 -3.823 1.00 1.01 H new ATOM 0 HA ARG A 37 2.379 -9.400 -6.438 1.00 1.11 H new ATOM 0 HB2 ARG A 37 1.931 -7.105 -4.538 1.00 1.38 H new ATOM 0 HB3 ARG A 37 1.085 -7.374 -6.048 1.00 1.38 H new ATOM 0 HG2 ARG A 37 0.661 -9.810 -4.950 1.00 1.79 H new ATOM 0 HG3 ARG A 37 0.898 -8.916 -3.462 1.00 1.79 H new ATOM 0 HD2 ARG A 37 -0.853 -7.230 -4.380 1.00 1.40 H new ATOM 0 HD3 ARG A 37 -1.216 -8.435 -5.600 1.00 1.40 H new ATOM 0 HE ARG A 37 -1.741 -8.628 -2.685 1.00 1.31 H new ATOM 0 HH11 ARG A 37 -1.933 -10.307 -5.844 1.00 2.45 H new ATOM 0 HH12 ARG A 37 -3.098 -11.487 -5.234 1.00 2.45 H new ATOM 0 HH21 ARG A 37 -3.230 -10.122 -1.973 1.00 2.06 H new ATOM 0 HH22 ARG A 37 -3.828 -11.382 -3.056 1.00 2.06 H new ATOM 542 N ASP A 38 3.353 -7.454 -7.837 1.00 1.11 N ATOM 543 CA ASP A 38 4.260 -6.971 -8.893 1.00 1.10 C ATOM 544 C ASP A 38 4.915 -5.598 -8.615 1.00 1.25 C ATOM 545 O ASP A 38 4.300 -4.691 -8.052 1.00 1.37 O ATOM 546 CB ASP A 38 3.523 -7.006 -10.235 1.00 1.17 C ATOM 547 CG ASP A 38 3.339 -8.445 -10.715 1.00 2.35 C ATOM 548 OD1 ASP A 38 2.346 -9.116 -10.349 1.00 3.57 O ATOM 549 OD2 ASP A 38 4.218 -8.937 -11.458 1.00 3.34 O ATOM 0 H ASP A 38 2.377 -7.504 -8.130 1.00 1.11 H new ATOM 0 HA ASP A 38 5.112 -7.651 -8.919 1.00 1.10 H new ATOM 0 HB2 ASP A 38 2.550 -6.524 -10.134 1.00 1.17 H new ATOM 0 HB3 ASP A 38 4.084 -6.439 -10.978 1.00 1.17 H new ATOM 554 N ALA A 39 6.187 -5.446 -9.009 1.00 1.41 N ATOM 555 CA ALA A 39 7.106 -4.473 -8.406 1.00 1.48 C ATOM 556 C ALA A 39 6.913 -3.002 -8.817 1.00 1.36 C ATOM 557 O ALA A 39 7.380 -2.111 -8.099 1.00 1.69 O ATOM 558 CB ALA A 39 8.536 -4.911 -8.722 1.00 1.75 C ATOM 0 H ALA A 39 6.608 -5.997 -9.757 1.00 1.41 H new ATOM 0 HA ALA A 39 6.884 -4.480 -7.339 1.00 1.48 H new ATOM 0 HB1 ALA A 39 9.239 -4.202 -8.284 1.00 1.75 H new ATOM 0 HB2 ALA A 39 8.713 -5.903 -8.306 1.00 1.75 H new ATOM 0 HB3 ALA A 39 8.677 -4.941 -9.802 1.00 1.75 H new ATOM 564 N ASN A 40 6.248 -2.737 -9.948 1.00 1.12 N ATOM 565 CA ASN A 40 5.771 -1.393 -10.292 1.00 0.95 C ATOM 566 C ASN A 40 4.290 -1.223 -9.895 1.00 0.72 C ATOM 567 O ASN A 40 3.935 -0.201 -9.306 1.00 0.72 O ATOM 568 CB ASN A 40 6.024 -1.091 -11.783 1.00 1.21 C ATOM 569 CG ASN A 40 7.470 -0.803 -12.154 1.00 1.82 C ATOM 570 OD1 ASN A 40 8.392 -0.817 -11.342 1.00 2.77 O ATOM 571 ND2 ASN A 40 7.711 -0.496 -13.404 1.00 2.58 N ATOM 0 H ASN A 40 6.026 -3.445 -10.648 1.00 1.12 H new ATOM 0 HA ASN A 40 6.338 -0.658 -9.720 1.00 0.95 H new ATOM 0 HB2 ASN A 40 5.678 -1.940 -12.372 1.00 1.21 H new ATOM 0 HB3 ASN A 40 5.415 -0.234 -12.071 1.00 1.21 H new ATOM 0 HD21 ASN A 40 8.661 -0.270 -13.700 1.00 2.58 H new ATOM 0 HD22 ASN A 40 6.949 -0.483 -14.082 1.00 2.58 H new ATOM 578 N TRP A 41 3.453 -2.246 -10.130 1.00 0.74 N ATOM 579 CA TRP A 41 2.027 -2.270 -9.760 1.00 0.60 C ATOM 580 C TRP A 41 1.789 -1.863 -8.300 1.00 0.56 C ATOM 581 O TRP A 41 0.976 -0.978 -8.032 1.00 0.51 O ATOM 582 CB TRP A 41 1.459 -3.680 -9.996 1.00 0.61 C ATOM 583 CG TRP A 41 0.014 -3.853 -9.630 1.00 0.55 C ATOM 584 CD1 TRP A 41 -1.022 -3.650 -10.474 1.00 0.55 C ATOM 585 CD2 TRP A 41 -0.586 -4.199 -8.335 1.00 0.64 C ATOM 586 NE1 TRP A 41 -2.215 -3.836 -9.804 1.00 0.62 N ATOM 587 CE2 TRP A 41 -2.008 -4.138 -8.474 1.00 0.69 C ATOM 588 CE3 TRP A 41 -0.088 -4.535 -7.050 1.00 0.76 C ATOM 589 CZ2 TRP A 41 -2.878 -4.377 -7.401 1.00 0.87 C ATOM 590 CZ3 TRP A 41 -0.955 -4.753 -5.958 1.00 0.92 C ATOM 591 CH2 TRP A 41 -2.346 -4.672 -6.134 1.00 0.98 C ATOM 0 H TRP A 41 3.756 -3.102 -10.595 1.00 0.74 H new ATOM 0 HA TRP A 41 1.517 -1.540 -10.389 1.00 0.60 H new ATOM 0 HB2 TRP A 41 1.584 -3.934 -11.049 1.00 0.61 H new ATOM 0 HB3 TRP A 41 2.051 -4.394 -9.423 1.00 0.61 H new ATOM 0 HD1 TRP A 41 -0.930 -3.382 -11.516 1.00 0.55 H new ATOM 0 HE1 TRP A 41 -3.135 -3.760 -10.238 1.00 0.62 H new ATOM 0 HE3 TRP A 41 0.978 -4.626 -6.904 1.00 0.76 H new ATOM 0 HZ2 TRP A 41 -3.947 -4.335 -7.547 1.00 0.87 H new ATOM 0 HZ3 TRP A 41 -0.548 -4.983 -4.984 1.00 0.92 H new ATOM 0 HH2 TRP A 41 -3.007 -4.836 -5.296 1.00 0.98 H new ATOM 602 N LEU A 42 2.552 -2.447 -7.369 1.00 0.62 N ATOM 603 CA LEU A 42 2.481 -2.185 -5.929 1.00 0.65 C ATOM 604 C LEU A 42 2.668 -0.692 -5.610 1.00 0.60 C ATOM 605 O LEU A 42 1.955 -0.138 -4.772 1.00 0.61 O ATOM 606 CB LEU A 42 3.552 -3.085 -5.272 1.00 0.85 C ATOM 607 CG LEU A 42 3.716 -3.085 -3.739 1.00 1.18 C ATOM 608 CD1 LEU A 42 4.478 -1.876 -3.192 1.00 2.88 C ATOM 609 CD2 LEU A 42 2.385 -3.219 -3.000 1.00 1.96 C ATOM 0 H LEU A 42 3.261 -3.140 -7.608 1.00 0.62 H new ATOM 0 HA LEU A 42 1.496 -2.424 -5.529 1.00 0.65 H new ATOM 0 HB2 LEU A 42 3.346 -4.111 -5.577 1.00 0.85 H new ATOM 0 HB3 LEU A 42 4.515 -2.811 -5.702 1.00 0.85 H new ATOM 0 HG LEU A 42 4.321 -3.971 -3.546 1.00 1.18 H new ATOM 0 HD11 LEU A 42 4.550 -1.952 -2.107 1.00 2.88 H new ATOM 0 HD12 LEU A 42 5.480 -1.853 -3.621 1.00 2.88 H new ATOM 0 HD13 LEU A 42 3.948 -0.961 -3.457 1.00 2.88 H new ATOM 0 HD21 LEU A 42 2.564 -3.213 -1.925 1.00 1.96 H new ATOM 0 HD22 LEU A 42 1.736 -2.384 -3.265 1.00 1.96 H new ATOM 0 HD23 LEU A 42 1.905 -4.156 -3.283 1.00 1.96 H new ATOM 621 N VAL A 43 3.595 -0.032 -6.310 1.00 0.62 N ATOM 622 CA VAL A 43 3.971 1.370 -6.081 1.00 0.62 C ATOM 623 C VAL A 43 2.948 2.346 -6.670 1.00 0.58 C ATOM 624 O VAL A 43 2.710 3.401 -6.083 1.00 0.72 O ATOM 625 CB VAL A 43 5.406 1.654 -6.573 1.00 0.73 C ATOM 626 CG1 VAL A 43 5.916 3.012 -6.077 1.00 1.05 C ATOM 627 CG2 VAL A 43 6.385 0.581 -6.065 1.00 1.04 C ATOM 0 H VAL A 43 4.118 -0.466 -7.070 1.00 0.62 H new ATOM 0 HA VAL A 43 3.963 1.537 -5.004 1.00 0.62 H new ATOM 0 HB VAL A 43 5.362 1.649 -7.662 1.00 0.73 H new ATOM 0 HG11 VAL A 43 6.929 3.176 -6.444 1.00 1.05 H new ATOM 0 HG12 VAL A 43 5.264 3.803 -6.447 1.00 1.05 H new ATOM 0 HG13 VAL A 43 5.918 3.024 -4.987 1.00 1.05 H new ATOM 0 HG21 VAL A 43 7.389 0.804 -6.426 1.00 1.04 H new ATOM 0 HG22 VAL A 43 6.384 0.574 -4.975 1.00 1.04 H new ATOM 0 HG23 VAL A 43 6.076 -0.397 -6.434 1.00 1.04 H new ATOM 637 N ARG A 44 2.258 1.981 -7.763 1.00 0.51 N ATOM 638 CA ARG A 44 1.059 2.710 -8.212 1.00 0.60 C ATOM 639 C ARG A 44 -0.115 2.483 -7.254 1.00 0.65 C ATOM 640 O ARG A 44 -0.742 3.451 -6.830 1.00 0.92 O ATOM 641 CB ARG A 44 0.711 2.340 -9.663 1.00 0.75 C ATOM 642 CG ARG A 44 -0.419 3.246 -10.182 1.00 2.01 C ATOM 643 CD ARG A 44 -0.758 2.970 -11.648 1.00 2.47 C ATOM 644 NE ARG A 44 -1.967 3.703 -12.058 1.00 3.70 N ATOM 645 CZ ARG A 44 -2.047 5.017 -12.336 1.00 4.38 C ATOM 646 NH1 ARG A 44 -0.967 5.814 -12.314 1.00 4.46 N ATOM 647 NH2 ARG A 44 -3.242 5.543 -12.635 1.00 5.69 N ATOM 0 H ARG A 44 2.509 1.187 -8.352 1.00 0.51 H new ATOM 0 HA ARG A 44 1.275 3.778 -8.195 1.00 0.60 H new ATOM 0 HB2 ARG A 44 1.593 2.446 -10.295 1.00 0.75 H new ATOM 0 HB3 ARG A 44 0.404 1.295 -9.717 1.00 0.75 H new ATOM 0 HG2 ARG A 44 -1.310 3.098 -9.571 1.00 2.01 H new ATOM 0 HG3 ARG A 44 -0.125 4.290 -10.070 1.00 2.01 H new ATOM 0 HD2 ARG A 44 0.081 3.263 -12.280 1.00 2.47 H new ATOM 0 HD3 ARG A 44 -0.910 1.901 -11.795 1.00 2.47 H new ATOM 0 HE ARG A 44 -2.828 3.162 -12.139 1.00 3.70 H new ATOM 0 HH11 ARG A 44 -0.052 5.427 -12.082 1.00 4.46 H new ATOM 0 HH12 ARG A 44 -1.061 6.806 -12.530 1.00 4.46 H new ATOM 0 HH21 ARG A 44 -4.071 4.949 -12.649 1.00 5.69 H new ATOM 0 HH22 ARG A 44 -3.323 6.537 -12.849 1.00 5.69 H new ATOM 661 N TRP A 45 -0.392 1.230 -6.892 1.00 0.53 N ATOM 662 CA TRP A 45 -1.521 0.832 -6.040 1.00 0.64 C ATOM 663 C TRP A 45 -1.525 1.567 -4.701 1.00 0.80 C ATOM 664 O TRP A 45 -2.507 2.223 -4.367 1.00 0.95 O ATOM 665 CB TRP A 45 -1.491 -0.687 -5.813 1.00 0.66 C ATOM 666 CG TRP A 45 -2.346 -1.185 -4.683 1.00 0.87 C ATOM 667 CD1 TRP A 45 -1.889 -1.902 -3.635 1.00 1.24 C ATOM 668 CD2 TRP A 45 -3.779 -1.004 -4.442 1.00 0.92 C ATOM 669 NE1 TRP A 45 -2.933 -2.203 -2.783 1.00 1.42 N ATOM 670 CE2 TRP A 45 -4.130 -1.693 -3.241 1.00 1.23 C ATOM 671 CE3 TRP A 45 -4.822 -0.324 -5.108 1.00 0.97 C ATOM 672 CZ2 TRP A 45 -5.445 -1.747 -2.757 1.00 1.42 C ATOM 673 CZ3 TRP A 45 -6.144 -0.359 -4.631 1.00 1.24 C ATOM 674 CH2 TRP A 45 -6.462 -1.077 -3.464 1.00 1.39 C ATOM 0 H TRP A 45 0.178 0.438 -7.190 1.00 0.53 H new ATOM 0 HA TRP A 45 -2.439 1.109 -6.559 1.00 0.64 H new ATOM 0 HB2 TRP A 45 -1.808 -1.181 -6.731 1.00 0.66 H new ATOM 0 HB3 TRP A 45 -0.460 -0.990 -5.627 1.00 0.66 H new ATOM 0 HD1 TRP A 45 -0.861 -2.196 -3.485 1.00 1.24 H new ATOM 0 HE1 TRP A 45 -2.831 -2.737 -1.920 1.00 1.42 H new ATOM 0 HE3 TRP A 45 -4.599 0.236 -6.004 1.00 0.97 H new ATOM 0 HZ2 TRP A 45 -5.675 -2.295 -1.855 1.00 1.42 H new ATOM 0 HZ3 TRP A 45 -6.921 0.169 -5.164 1.00 1.24 H new ATOM 0 HH2 TRP A 45 -7.482 -1.114 -3.112 1.00 1.39 H new ATOM 685 N LEU A 46 -0.419 1.519 -3.952 1.00 0.84 N ATOM 686 CA LEU A 46 -0.344 2.145 -2.628 1.00 1.05 C ATOM 687 C LEU A 46 -0.257 3.687 -2.677 1.00 1.14 C ATOM 688 O LEU A 46 -0.346 4.329 -1.631 1.00 1.41 O ATOM 689 CB LEU A 46 0.710 1.408 -1.765 1.00 1.23 C ATOM 690 CG LEU A 46 2.002 2.156 -1.401 1.00 1.25 C ATOM 691 CD1 LEU A 46 2.884 1.250 -0.535 1.00 2.54 C ATOM 692 CD2 LEU A 46 2.816 2.502 -2.638 1.00 1.70 C ATOM 0 H LEU A 46 0.440 1.051 -4.241 1.00 0.84 H new ATOM 0 HA LEU A 46 -1.292 2.013 -2.106 1.00 1.05 H new ATOM 0 HB2 LEU A 46 0.227 1.106 -0.836 1.00 1.23 H new ATOM 0 HB3 LEU A 46 0.991 0.495 -2.290 1.00 1.23 H new ATOM 0 HG LEU A 46 1.712 3.069 -0.880 1.00 1.25 H new ATOM 0 HD11 LEU A 46 3.802 1.777 -0.275 1.00 2.54 H new ATOM 0 HD12 LEU A 46 2.348 0.983 0.376 1.00 2.54 H new ATOM 0 HD13 LEU A 46 3.130 0.344 -1.089 1.00 2.54 H new ATOM 0 HD21 LEU A 46 3.722 3.030 -2.341 1.00 1.70 H new ATOM 0 HD22 LEU A 46 3.086 1.586 -3.164 1.00 1.70 H new ATOM 0 HD23 LEU A 46 2.225 3.138 -3.297 1.00 1.70 H new ATOM 704 N LYS A 47 -0.092 4.275 -3.874 1.00 1.00 N ATOM 705 CA LYS A 47 -0.022 5.721 -4.125 1.00 1.12 C ATOM 706 C LYS A 47 -1.362 6.301 -4.583 1.00 1.07 C ATOM 707 O LYS A 47 -1.773 7.315 -4.029 1.00 1.41 O ATOM 708 CB LYS A 47 1.120 6.009 -5.120 1.00 1.19 C ATOM 709 CG LYS A 47 1.242 7.500 -5.488 1.00 1.15 C ATOM 710 CD LYS A 47 2.484 7.841 -6.330 1.00 1.30 C ATOM 711 CE LYS A 47 2.585 7.010 -7.618 1.00 2.05 C ATOM 712 NZ LYS A 47 3.608 7.557 -8.541 1.00 2.31 N ATOM 0 H LYS A 47 0.000 3.729 -4.730 1.00 1.00 H new ATOM 0 HA LYS A 47 0.200 6.229 -3.186 1.00 1.12 H new ATOM 0 HB2 LYS A 47 2.062 5.669 -4.690 1.00 1.19 H new ATOM 0 HB3 LYS A 47 0.957 5.429 -6.028 1.00 1.19 H new ATOM 0 HG2 LYS A 47 0.350 7.801 -6.037 1.00 1.15 H new ATOM 0 HG3 LYS A 47 1.266 8.089 -4.571 1.00 1.15 H new ATOM 0 HD2 LYS A 47 2.461 8.900 -6.589 1.00 1.30 H new ATOM 0 HD3 LYS A 47 3.379 7.679 -5.729 1.00 1.30 H new ATOM 0 HE2 LYS A 47 2.834 5.979 -7.368 1.00 2.05 H new ATOM 0 HE3 LYS A 47 1.616 6.992 -8.117 1.00 2.05 H new ATOM 0 HZ1 LYS A 47 4.099 6.774 -9.018 1.00 2.31 H new ATOM 0 HZ2 LYS A 47 3.147 8.161 -9.251 1.00 2.31 H new ATOM 0 HZ3 LYS A 47 4.296 8.120 -8.002 1.00 2.31 H new ATOM 726 N VAL A 48 -2.048 5.697 -5.560 1.00 0.77 N ATOM 727 CA VAL A 48 -3.307 6.227 -6.139 1.00 0.75 C ATOM 728 C VAL A 48 -4.467 5.195 -6.151 1.00 0.66 C ATOM 729 O VAL A 48 -5.077 4.912 -7.191 1.00 0.65 O ATOM 730 CB VAL A 48 -3.001 6.958 -7.467 1.00 0.81 C ATOM 731 CG1 VAL A 48 -2.665 6.054 -8.662 1.00 1.38 C ATOM 732 CG2 VAL A 48 -4.109 7.954 -7.809 1.00 1.64 C ATOM 0 H VAL A 48 -1.749 4.817 -5.981 1.00 0.77 H new ATOM 0 HA VAL A 48 -3.722 6.988 -5.479 1.00 0.75 H new ATOM 0 HB VAL A 48 -2.073 7.498 -7.278 1.00 0.81 H new ATOM 0 HG11 VAL A 48 -2.468 6.669 -9.540 1.00 1.38 H new ATOM 0 HG12 VAL A 48 -1.782 5.458 -8.431 1.00 1.38 H new ATOM 0 HG13 VAL A 48 -3.506 5.391 -8.865 1.00 1.38 H new ATOM 0 HG21 VAL A 48 -3.871 8.455 -8.747 1.00 1.64 H new ATOM 0 HG22 VAL A 48 -5.056 7.424 -7.911 1.00 1.64 H new ATOM 0 HG23 VAL A 48 -4.192 8.694 -7.013 1.00 1.64 H new ATOM 742 N PRO A 49 -4.800 4.594 -4.991 1.00 0.67 N ATOM 743 CA PRO A 49 -5.721 3.454 -4.890 1.00 0.67 C ATOM 744 C PRO A 49 -7.185 3.761 -5.244 1.00 0.79 C ATOM 745 O PRO A 49 -7.944 2.826 -5.501 1.00 1.12 O ATOM 746 CB PRO A 49 -5.617 2.992 -3.429 1.00 0.76 C ATOM 747 CG PRO A 49 -5.213 4.264 -2.681 1.00 0.86 C ATOM 748 CD PRO A 49 -4.294 4.951 -3.671 1.00 0.77 C ATOM 0 HA PRO A 49 -5.432 2.698 -5.620 1.00 0.67 H new ATOM 0 HB2 PRO A 49 -6.565 2.596 -3.065 1.00 0.76 H new ATOM 0 HB3 PRO A 49 -4.875 2.203 -3.309 1.00 0.76 H new ATOM 0 HG2 PRO A 49 -6.077 4.881 -2.434 1.00 0.86 H new ATOM 0 HG3 PRO A 49 -4.704 4.039 -1.744 1.00 0.86 H new ATOM 0 HD2 PRO A 49 -4.301 6.032 -3.528 1.00 0.77 H new ATOM 0 HD3 PRO A 49 -3.263 4.620 -3.544 1.00 0.77 H new ATOM 756 N ASP A 50 -7.629 5.021 -5.243 1.00 0.73 N ATOM 757 CA ASP A 50 -9.003 5.377 -5.640 1.00 0.86 C ATOM 758 C ASP A 50 -9.147 5.499 -7.164 1.00 0.84 C ATOM 759 O ASP A 50 -10.167 5.085 -7.721 1.00 0.94 O ATOM 760 CB ASP A 50 -9.439 6.659 -4.919 1.00 1.05 C ATOM 761 CG ASP A 50 -10.959 6.783 -4.865 1.00 1.47 C ATOM 762 OD1 ASP A 50 -11.554 6.236 -3.906 1.00 2.94 O ATOM 763 OD2 ASP A 50 -11.560 7.440 -5.750 1.00 1.87 O ATOM 0 H ASP A 50 -7.056 5.820 -4.970 1.00 0.73 H new ATOM 0 HA ASP A 50 -9.668 4.569 -5.336 1.00 0.86 H new ATOM 0 HB2 ASP A 50 -9.037 6.662 -3.906 1.00 1.05 H new ATOM 0 HB3 ASP A 50 -9.020 7.526 -5.431 1.00 1.05 H new ATOM 768 N GLN A 51 -8.102 5.976 -7.853 1.00 0.77 N ATOM 769 CA GLN A 51 -8.046 5.960 -9.312 1.00 0.82 C ATOM 770 C GLN A 51 -7.816 4.544 -9.860 1.00 0.84 C ATOM 771 O GLN A 51 -8.359 4.213 -10.911 1.00 0.93 O ATOM 772 CB GLN A 51 -6.955 6.928 -9.788 1.00 0.87 C ATOM 773 CG GLN A 51 -6.993 7.171 -11.301 1.00 1.30 C ATOM 774 CD GLN A 51 -8.311 7.766 -11.792 1.00 2.56 C ATOM 775 OE1 GLN A 51 -8.961 8.559 -11.122 1.00 3.39 O ATOM 776 NE2 GLN A 51 -8.765 7.422 -12.976 1.00 3.81 N ATOM 0 H GLN A 51 -7.277 6.382 -7.412 1.00 0.77 H new ATOM 0 HA GLN A 51 -9.010 6.288 -9.701 1.00 0.82 H new ATOM 0 HB2 GLN A 51 -7.069 7.880 -9.269 1.00 0.87 H new ATOM 0 HB3 GLN A 51 -5.978 6.530 -9.513 1.00 0.87 H new ATOM 0 HG2 GLN A 51 -6.178 7.841 -11.573 1.00 1.30 H new ATOM 0 HG3 GLN A 51 -6.816 6.227 -11.817 1.00 1.30 H new ATOM 0 HE21 GLN A 51 -8.241 6.763 -13.552 1.00 3.81 H new ATOM 0 HE22 GLN A 51 -9.642 7.814 -13.320 1.00 3.81 H new ATOM 785 N MET A 52 -7.086 3.678 -9.146 1.00 0.81 N ATOM 786 CA MET A 52 -6.848 2.296 -9.591 1.00 0.83 C ATOM 787 C MET A 52 -8.146 1.454 -9.676 1.00 0.80 C ATOM 788 O MET A 52 -8.265 0.568 -10.527 1.00 0.96 O ATOM 789 CB MET A 52 -5.791 1.642 -8.686 1.00 0.83 C ATOM 790 CG MET A 52 -5.428 0.266 -9.252 1.00 1.67 C ATOM 791 SD MET A 52 -3.990 -0.586 -8.561 1.00 2.80 S ATOM 792 CE MET A 52 -2.661 0.332 -9.372 1.00 1.21 C ATOM 0 H MET A 52 -6.648 3.910 -8.254 1.00 0.81 H new ATOM 0 HA MET A 52 -6.467 2.332 -10.612 1.00 0.83 H new ATOM 0 HB2 MET A 52 -4.903 2.271 -8.630 1.00 0.83 H new ATOM 0 HB3 MET A 52 -6.175 1.542 -7.671 1.00 0.83 H new ATOM 0 HG2 MET A 52 -6.293 -0.385 -9.127 1.00 1.67 H new ATOM 0 HG3 MET A 52 -5.266 0.378 -10.324 1.00 1.67 H new ATOM 0 HE1 MET A 52 -1.702 0.031 -8.951 1.00 1.21 H new ATOM 0 HE2 MET A 52 -2.671 0.119 -10.441 1.00 1.21 H new ATOM 0 HE3 MET A 52 -2.808 1.400 -9.214 1.00 1.21 H new ATOM 802 N LEU A 53 -9.150 1.755 -8.843 1.00 0.68 N ATOM 803 CA LEU A 53 -10.492 1.164 -8.955 1.00 0.67 C ATOM 804 C LEU A 53 -11.382 1.870 -10.000 1.00 0.69 C ATOM 805 O LEU A 53 -12.364 1.285 -10.454 1.00 0.86 O ATOM 806 CB LEU A 53 -11.158 1.094 -7.567 1.00 0.73 C ATOM 807 CG LEU A 53 -10.429 0.193 -6.547 1.00 1.30 C ATOM 808 CD1 LEU A 53 -11.142 0.257 -5.198 1.00 2.07 C ATOM 809 CD2 LEU A 53 -10.357 -1.278 -6.956 1.00 2.05 C ATOM 0 H LEU A 53 -9.056 2.415 -8.071 1.00 0.68 H new ATOM 0 HA LEU A 53 -10.372 0.147 -9.329 1.00 0.67 H new ATOM 0 HB2 LEU A 53 -11.223 2.103 -7.159 1.00 0.73 H new ATOM 0 HB3 LEU A 53 -12.179 0.732 -7.687 1.00 0.73 H new ATOM 0 HG LEU A 53 -9.410 0.578 -6.496 1.00 1.30 H new ATOM 0 HD11 LEU A 53 -10.624 -0.381 -4.482 1.00 2.07 H new ATOM 0 HD12 LEU A 53 -11.142 1.285 -4.835 1.00 2.07 H new ATOM 0 HD13 LEU A 53 -12.170 -0.088 -5.313 1.00 2.07 H new ATOM 0 HD21 LEU A 53 -9.830 -1.844 -6.188 1.00 2.05 H new ATOM 0 HD22 LEU A 53 -11.366 -1.674 -7.070 1.00 2.05 H new ATOM 0 HD23 LEU A 53 -9.823 -1.367 -7.902 1.00 2.05 H new ATOM 821 N ALA A 54 -11.045 3.098 -10.415 1.00 0.68 N ATOM 822 CA ALA A 54 -11.711 3.821 -11.508 1.00 0.79 C ATOM 823 C ALA A 54 -11.202 3.402 -12.905 1.00 0.85 C ATOM 824 O ALA A 54 -11.984 3.305 -13.854 1.00 0.99 O ATOM 825 CB ALA A 54 -11.552 5.329 -11.273 1.00 0.89 C ATOM 0 H ALA A 54 -10.284 3.629 -9.991 1.00 0.68 H new ATOM 0 HA ALA A 54 -12.769 3.559 -11.499 1.00 0.79 H new ATOM 0 HB1 ALA A 54 -12.042 5.876 -12.078 1.00 0.89 H new ATOM 0 HB2 ALA A 54 -12.008 5.599 -10.320 1.00 0.89 H new ATOM 0 HB3 ALA A 54 -10.493 5.584 -11.253 1.00 0.89 H new ATOM 831 N GLU A 55 -9.908 3.087 -13.036 1.00 0.82 N ATOM 832 CA GLU A 55 -9.316 2.507 -14.256 1.00 0.93 C ATOM 833 C GLU A 55 -9.666 1.013 -14.436 1.00 0.98 C ATOM 834 O GLU A 55 -9.371 0.424 -15.480 1.00 1.24 O ATOM 835 CB GLU A 55 -7.790 2.747 -14.267 1.00 0.99 C ATOM 836 CG GLU A 55 -7.004 1.823 -13.340 1.00 1.81 C ATOM 837 CD GLU A 55 -5.490 2.018 -13.471 1.00 2.51 C ATOM 838 OE1 GLU A 55 -4.884 1.399 -14.383 1.00 3.00 O ATOM 839 OE2 GLU A 55 -4.891 2.777 -12.677 1.00 3.39 O ATOM 0 H GLU A 55 -9.229 3.229 -12.288 1.00 0.82 H new ATOM 0 HA GLU A 55 -9.755 3.017 -15.114 1.00 0.93 H new ATOM 0 HB2 GLU A 55 -7.421 2.621 -15.285 1.00 0.99 H new ATOM 0 HB3 GLU A 55 -7.594 3.781 -13.982 1.00 0.99 H new ATOM 0 HG2 GLU A 55 -7.304 2.007 -12.308 1.00 1.81 H new ATOM 0 HG3 GLU A 55 -7.255 0.787 -13.565 1.00 1.81 H new ATOM 846 N LYS A 56 -10.265 0.396 -13.407 1.00 0.97 N ATOM 847 CA LYS A 56 -10.487 -1.050 -13.244 1.00 1.09 C ATOM 848 C LYS A 56 -9.234 -1.880 -13.540 1.00 1.03 C ATOM 849 O LYS A 56 -9.199 -2.671 -14.481 1.00 1.47 O ATOM 850 CB LYS A 56 -11.728 -1.543 -14.005 1.00 1.49 C ATOM 851 CG LYS A 56 -13.013 -0.768 -13.677 1.00 2.23 C ATOM 852 CD LYS A 56 -14.226 -1.546 -14.212 1.00 2.88 C ATOM 853 CE LYS A 56 -15.493 -0.700 -14.347 1.00 3.88 C ATOM 854 NZ LYS A 56 -15.348 0.335 -15.397 1.00 4.29 N ATOM 0 H LYS A 56 -10.631 0.926 -12.616 1.00 0.97 H new ATOM 0 HA LYS A 56 -10.700 -1.208 -12.187 1.00 1.09 H new ATOM 0 HB2 LYS A 56 -11.537 -1.472 -15.076 1.00 1.49 H new ATOM 0 HB3 LYS A 56 -11.885 -2.598 -13.779 1.00 1.49 H new ATOM 0 HG2 LYS A 56 -13.102 -0.629 -12.600 1.00 2.23 H new ATOM 0 HG3 LYS A 56 -12.977 0.225 -14.125 1.00 2.23 H new ATOM 0 HD2 LYS A 56 -13.975 -1.966 -15.186 1.00 2.88 H new ATOM 0 HD3 LYS A 56 -14.430 -2.385 -13.546 1.00 2.88 H new ATOM 0 HE2 LYS A 56 -16.338 -1.345 -14.586 1.00 3.88 H new ATOM 0 HE3 LYS A 56 -15.716 -0.222 -13.393 1.00 3.88 H new ATOM 0 HZ1 LYS A 56 -16.280 0.740 -15.616 1.00 4.29 H new ATOM 0 HZ2 LYS A 56 -14.714 1.087 -15.058 1.00 4.29 H new ATOM 0 HZ3 LYS A 56 -14.947 -0.095 -16.255 1.00 4.29 H new ATOM 868 N ASP A 57 -8.204 -1.695 -12.718 1.00 0.94 N ATOM 869 CA ASP A 57 -7.019 -2.548 -12.681 1.00 0.97 C ATOM 870 C ASP A 57 -7.410 -3.829 -11.943 1.00 0.95 C ATOM 871 O ASP A 57 -7.658 -3.819 -10.733 1.00 0.98 O ATOM 872 CB ASP A 57 -5.852 -1.822 -12.009 1.00 1.04 C ATOM 873 CG ASP A 57 -4.546 -2.539 -12.322 1.00 1.31 C ATOM 874 OD1 ASP A 57 -4.285 -3.610 -11.727 1.00 2.08 O ATOM 875 OD2 ASP A 57 -3.826 -2.056 -13.230 1.00 2.04 O ATOM 0 H ASP A 57 -8.169 -0.930 -12.044 1.00 0.94 H new ATOM 0 HA ASP A 57 -6.678 -2.796 -13.686 1.00 0.97 H new ATOM 0 HB2 ASP A 57 -5.804 -0.791 -12.359 1.00 1.04 H new ATOM 0 HB3 ASP A 57 -6.008 -1.786 -10.931 1.00 1.04 H new ATOM 880 N PRO A 58 -7.599 -4.923 -12.683 1.00 0.99 N ATOM 881 CA PRO A 58 -8.503 -5.987 -12.262 1.00 1.10 C ATOM 882 C PRO A 58 -7.981 -6.796 -11.069 1.00 1.24 C ATOM 883 O PRO A 58 -8.767 -7.367 -10.313 1.00 2.01 O ATOM 884 CB PRO A 58 -8.664 -6.813 -13.528 1.00 1.22 C ATOM 885 CG PRO A 58 -7.343 -6.620 -14.275 1.00 1.19 C ATOM 886 CD PRO A 58 -7.107 -5.149 -14.037 1.00 1.04 C ATOM 0 HA PRO A 58 -9.451 -5.608 -11.881 1.00 1.10 H new ATOM 0 HB2 PRO A 58 -8.841 -7.864 -13.298 1.00 1.22 H new ATOM 0 HB3 PRO A 58 -9.511 -6.470 -14.122 1.00 1.22 H new ATOM 0 HG2 PRO A 58 -6.543 -7.239 -13.870 1.00 1.19 H new ATOM 0 HG3 PRO A 58 -7.427 -6.861 -15.335 1.00 1.19 H new ATOM 0 HD2 PRO A 58 -6.050 -4.896 -14.124 1.00 1.04 H new ATOM 0 HD3 PRO A 58 -7.643 -4.537 -14.763 1.00 1.04 H new ATOM 894 N LEU A 59 -6.663 -6.775 -10.861 1.00 0.78 N ATOM 895 CA LEU A 59 -5.996 -7.287 -9.661 1.00 0.73 C ATOM 896 C LEU A 59 -6.412 -6.518 -8.391 1.00 0.71 C ATOM 897 O LEU A 59 -6.736 -7.146 -7.385 1.00 0.75 O ATOM 898 CB LEU A 59 -4.471 -7.252 -9.896 1.00 0.77 C ATOM 899 CG LEU A 59 -3.609 -7.786 -8.733 1.00 0.89 C ATOM 900 CD1 LEU A 59 -3.971 -9.218 -8.333 1.00 1.28 C ATOM 901 CD2 LEU A 59 -2.136 -7.776 -9.143 1.00 1.46 C ATOM 0 H LEU A 59 -6.010 -6.390 -11.543 1.00 0.78 H new ATOM 0 HA LEU A 59 -6.307 -8.317 -9.487 1.00 0.73 H new ATOM 0 HB2 LEU A 59 -4.245 -7.833 -10.790 1.00 0.77 H new ATOM 0 HB3 LEU A 59 -4.176 -6.223 -10.102 1.00 0.77 H new ATOM 0 HG LEU A 59 -3.797 -7.133 -7.881 1.00 0.89 H new ATOM 0 HD11 LEU A 59 -3.331 -9.539 -7.511 1.00 1.28 H new ATOM 0 HD12 LEU A 59 -5.014 -9.255 -8.018 1.00 1.28 H new ATOM 0 HD13 LEU A 59 -3.826 -9.882 -9.185 1.00 1.28 H new ATOM 0 HD21 LEU A 59 -1.527 -8.153 -8.321 1.00 1.46 H new ATOM 0 HD22 LEU A 59 -1.998 -8.411 -10.018 1.00 1.46 H new ATOM 0 HD23 LEU A 59 -1.832 -6.757 -9.382 1.00 1.46 H new ATOM 913 N ALA A 60 -6.489 -5.185 -8.430 1.00 0.72 N ATOM 914 CA ALA A 60 -7.029 -4.408 -7.309 1.00 0.74 C ATOM 915 C ALA A 60 -8.546 -4.580 -7.167 1.00 0.66 C ATOM 916 O ALA A 60 -9.046 -4.754 -6.057 1.00 0.66 O ATOM 917 CB ALA A 60 -6.689 -2.932 -7.481 1.00 0.87 C ATOM 0 H ALA A 60 -6.185 -4.621 -9.224 1.00 0.72 H new ATOM 0 HA ALA A 60 -6.566 -4.787 -6.398 1.00 0.74 H new ATOM 0 HB1 ALA A 60 -7.095 -2.365 -6.643 1.00 0.87 H new ATOM 0 HB2 ALA A 60 -5.606 -2.809 -7.512 1.00 0.87 H new ATOM 0 HB3 ALA A 60 -7.122 -2.565 -8.411 1.00 0.87 H new ATOM 923 N MET A 61 -9.271 -4.591 -8.291 1.00 0.67 N ATOM 924 CA MET A 61 -10.723 -4.813 -8.324 1.00 0.69 C ATOM 925 C MET A 61 -11.123 -6.137 -7.660 1.00 0.70 C ATOM 926 O MET A 61 -12.177 -6.216 -7.030 1.00 0.83 O ATOM 927 CB MET A 61 -11.221 -4.827 -9.773 1.00 0.81 C ATOM 928 CG MET A 61 -11.000 -3.510 -10.525 1.00 0.94 C ATOM 929 SD MET A 61 -11.987 -2.108 -9.953 1.00 1.77 S ATOM 930 CE MET A 61 -13.630 -2.752 -10.315 1.00 1.90 C ATOM 0 H MET A 61 -8.863 -4.445 -9.214 1.00 0.67 H new ATOM 0 HA MET A 61 -11.180 -3.995 -7.767 1.00 0.69 H new ATOM 0 HB2 MET A 61 -10.716 -5.629 -10.311 1.00 0.81 H new ATOM 0 HB3 MET A 61 -12.286 -5.061 -9.777 1.00 0.81 H new ATOM 0 HG2 MET A 61 -9.946 -3.243 -10.451 1.00 0.94 H new ATOM 0 HG3 MET A 61 -11.214 -3.675 -11.581 1.00 0.94 H new ATOM 0 HE1 MET A 61 -14.340 -1.927 -10.369 1.00 1.90 H new ATOM 0 HE2 MET A 61 -13.612 -3.279 -11.269 1.00 1.90 H new ATOM 0 HE3 MET A 61 -13.933 -3.440 -9.526 1.00 1.90 H new ATOM 940 N LEU A 62 -10.279 -7.164 -7.780 1.00 0.67 N ATOM 941 CA LEU A 62 -10.392 -8.432 -7.081 1.00 0.76 C ATOM 942 C LEU A 62 -10.002 -8.310 -5.605 1.00 0.76 C ATOM 943 O LEU A 62 -10.756 -8.750 -4.740 1.00 0.90 O ATOM 944 CB LEU A 62 -9.455 -9.407 -7.793 1.00 0.88 C ATOM 945 CG LEU A 62 -9.425 -10.824 -7.204 1.00 1.59 C ATOM 946 CD1 LEU A 62 -10.781 -11.530 -7.265 1.00 2.64 C ATOM 947 CD2 LEU A 62 -8.414 -11.672 -7.973 1.00 2.10 C ATOM 0 H LEU A 62 -9.466 -7.126 -8.395 1.00 0.67 H new ATOM 0 HA LEU A 62 -11.426 -8.776 -7.099 1.00 0.76 H new ATOM 0 HB2 LEU A 62 -9.749 -9.471 -8.841 1.00 0.88 H new ATOM 0 HB3 LEU A 62 -8.445 -8.999 -7.770 1.00 0.88 H new ATOM 0 HG LEU A 62 -9.149 -10.718 -6.155 1.00 1.59 H new ATOM 0 HD11 LEU A 62 -10.692 -12.527 -6.833 1.00 2.64 H new ATOM 0 HD12 LEU A 62 -11.516 -10.955 -6.702 1.00 2.64 H new ATOM 0 HD13 LEU A 62 -11.102 -11.612 -8.303 1.00 2.64 H new ATOM 0 HD21 LEU A 62 -8.391 -12.679 -7.556 1.00 2.10 H new ATOM 0 HD22 LEU A 62 -8.704 -11.721 -9.023 1.00 2.10 H new ATOM 0 HD23 LEU A 62 -7.424 -11.223 -7.890 1.00 2.10 H new ATOM 959 N LEU A 63 -8.833 -7.727 -5.306 1.00 0.72 N ATOM 960 CA LEU A 63 -8.258 -7.746 -3.963 1.00 0.83 C ATOM 961 C LEU A 63 -9.182 -6.991 -3.005 1.00 0.83 C ATOM 962 O LEU A 63 -9.512 -7.484 -1.927 1.00 1.01 O ATOM 963 CB LEU A 63 -6.837 -7.157 -4.085 1.00 0.92 C ATOM 964 CG LEU A 63 -5.932 -7.188 -2.844 1.00 1.40 C ATOM 965 CD1 LEU A 63 -4.502 -6.849 -3.270 1.00 2.06 C ATOM 966 CD2 LEU A 63 -6.332 -6.137 -1.816 1.00 2.39 C ATOM 0 H LEU A 63 -8.263 -7.230 -5.991 1.00 0.72 H new ATOM 0 HA LEU A 63 -8.172 -8.748 -3.543 1.00 0.83 H new ATOM 0 HB2 LEU A 63 -6.323 -7.689 -4.886 1.00 0.92 H new ATOM 0 HB3 LEU A 63 -6.933 -6.119 -4.402 1.00 0.92 H new ATOM 0 HG LEU A 63 -6.020 -8.182 -2.405 1.00 1.40 H new ATOM 0 HD11 LEU A 63 -3.848 -6.867 -2.398 1.00 2.06 H new ATOM 0 HD12 LEU A 63 -4.156 -7.582 -3.998 1.00 2.06 H new ATOM 0 HD13 LEU A 63 -4.482 -5.855 -3.718 1.00 2.06 H new ATOM 0 HD21 LEU A 63 -5.665 -6.196 -0.956 1.00 2.39 H new ATOM 0 HD22 LEU A 63 -6.261 -5.145 -2.263 1.00 2.39 H new ATOM 0 HD23 LEU A 63 -7.357 -6.316 -1.492 1.00 2.39 H new ATOM 978 N PHE A 64 -9.679 -5.834 -3.443 1.00 0.71 N ATOM 979 CA PHE A 64 -10.540 -4.997 -2.599 1.00 0.72 C ATOM 980 C PHE A 64 -11.931 -5.619 -2.385 1.00 0.73 C ATOM 981 O PHE A 64 -12.516 -5.449 -1.318 1.00 0.91 O ATOM 982 CB PHE A 64 -10.576 -3.544 -3.113 1.00 0.71 C ATOM 983 CG PHE A 64 -11.900 -3.080 -3.694 1.00 0.68 C ATOM 984 CD1 PHE A 64 -12.313 -3.528 -4.962 1.00 1.69 C ATOM 985 CD2 PHE A 64 -12.724 -2.203 -2.965 1.00 2.23 C ATOM 986 CE1 PHE A 64 -13.544 -3.107 -5.497 1.00 1.71 C ATOM 987 CE2 PHE A 64 -13.948 -1.771 -3.501 1.00 2.28 C ATOM 988 CZ PHE A 64 -14.357 -2.220 -4.771 1.00 0.87 C ATOM 0 H PHE A 64 -9.503 -5.454 -4.373 1.00 0.71 H new ATOM 0 HA PHE A 64 -10.099 -4.956 -1.603 1.00 0.72 H new ATOM 0 HB2 PHE A 64 -10.310 -2.881 -2.290 1.00 0.71 H new ATOM 0 HB3 PHE A 64 -9.806 -3.430 -3.876 1.00 0.71 H new ATOM 0 HD1 PHE A 64 -11.682 -4.198 -5.527 1.00 1.69 H new ATOM 0 HD2 PHE A 64 -12.414 -1.861 -1.989 1.00 2.23 H new ATOM 0 HE1 PHE A 64 -13.864 -3.465 -6.464 1.00 1.71 H new ATOM 0 HE2 PHE A 64 -14.575 -1.095 -2.939 1.00 2.28 H new ATOM 0 HZ PHE A 64 -15.295 -1.883 -5.187 1.00 0.87 H new ATOM 998 N GLU A 65 -12.450 -6.383 -3.355 1.00 0.69 N ATOM 999 CA GLU A 65 -13.714 -7.096 -3.272 1.00 0.85 C ATOM 1000 C GLU A 65 -13.613 -8.326 -2.357 1.00 0.98 C ATOM 1001 O GLU A 65 -14.472 -8.509 -1.489 1.00 1.11 O ATOM 1002 CB GLU A 65 -14.148 -7.415 -4.713 1.00 0.99 C ATOM 1003 CG GLU A 65 -15.296 -8.416 -4.764 1.00 1.50 C ATOM 1004 CD GLU A 65 -16.057 -8.405 -6.097 1.00 1.80 C ATOM 1005 OE1 GLU A 65 -15.443 -8.311 -7.187 1.00 2.53 O ATOM 1006 OE2 GLU A 65 -17.310 -8.445 -6.064 1.00 2.74 O ATOM 0 H GLU A 65 -11.977 -6.521 -4.248 1.00 0.69 H new ATOM 0 HA GLU A 65 -14.485 -6.485 -2.802 1.00 0.85 H new ATOM 0 HB2 GLU A 65 -14.450 -6.494 -5.211 1.00 0.99 H new ATOM 0 HB3 GLU A 65 -13.297 -7.813 -5.266 1.00 0.99 H new ATOM 0 HG2 GLU A 65 -14.903 -9.417 -4.587 1.00 1.50 H new ATOM 0 HG3 GLU A 65 -15.993 -8.199 -3.955 1.00 1.50 H new ATOM 1013 N GLN A 66 -12.553 -9.131 -2.489 1.00 1.13 N ATOM 1014 CA GLN A 66 -12.317 -10.306 -1.642 1.00 1.30 C ATOM 1015 C GLN A 66 -12.095 -9.916 -0.173 1.00 1.34 C ATOM 1016 O GLN A 66 -12.642 -10.571 0.717 1.00 1.81 O ATOM 1017 CB GLN A 66 -11.124 -11.115 -2.183 1.00 1.40 C ATOM 1018 CG GLN A 66 -11.404 -11.789 -3.537 1.00 2.27 C ATOM 1019 CD GLN A 66 -12.477 -12.866 -3.454 1.00 3.01 C ATOM 1020 OE1 GLN A 66 -13.632 -12.664 -3.815 1.00 4.16 O ATOM 1021 NE2 GLN A 66 -12.148 -14.051 -2.993 1.00 3.55 N ATOM 0 H GLN A 66 -11.829 -8.984 -3.192 1.00 1.13 H new ATOM 0 HA GLN A 66 -13.211 -10.929 -1.675 1.00 1.30 H new ATOM 0 HB2 GLN A 66 -10.264 -10.454 -2.286 1.00 1.40 H new ATOM 0 HB3 GLN A 66 -10.853 -11.879 -1.455 1.00 1.40 H new ATOM 0 HG2 GLN A 66 -11.712 -11.031 -4.257 1.00 2.27 H new ATOM 0 HG3 GLN A 66 -10.482 -12.231 -3.914 1.00 2.27 H new ATOM 0 HE21 GLN A 66 -11.191 -14.233 -2.689 1.00 3.55 H new ATOM 0 HE22 GLN A 66 -12.849 -14.790 -2.939 1.00 3.55 H new ATOM 1030 N TYR A 67 -11.407 -8.800 0.090 1.00 1.10 N ATOM 1031 CA TYR A 67 -11.282 -8.189 1.422 1.00 1.18 C ATOM 1032 C TYR A 67 -12.514 -7.336 1.819 1.00 1.28 C ATOM 1033 O TYR A 67 -12.400 -6.280 2.443 1.00 1.52 O ATOM 1034 CB TYR A 67 -9.924 -7.477 1.533 1.00 1.15 C ATOM 1035 CG TYR A 67 -8.756 -8.428 1.762 1.00 1.20 C ATOM 1036 CD1 TYR A 67 -8.530 -8.920 3.059 1.00 2.37 C ATOM 1037 CD2 TYR A 67 -7.871 -8.779 0.720 1.00 1.78 C ATOM 1038 CE1 TYR A 67 -7.418 -9.739 3.319 1.00 2.73 C ATOM 1039 CE2 TYR A 67 -6.734 -9.573 0.984 1.00 1.71 C ATOM 1040 CZ TYR A 67 -6.507 -10.055 2.290 1.00 1.74 C ATOM 1041 OH TYR A 67 -5.421 -10.827 2.559 1.00 2.14 O ATOM 0 H TYR A 67 -10.909 -8.282 -0.634 1.00 1.10 H new ATOM 0 HA TYR A 67 -11.287 -8.973 2.179 1.00 1.18 H new ATOM 0 HB2 TYR A 67 -9.745 -6.908 0.621 1.00 1.15 H new ATOM 0 HB3 TYR A 67 -9.965 -6.760 2.353 1.00 1.15 H new ATOM 0 HD1 TYR A 67 -9.212 -8.668 3.857 1.00 2.37 H new ATOM 0 HD2 TYR A 67 -8.065 -8.438 -0.286 1.00 1.78 H new ATOM 0 HE1 TYR A 67 -7.260 -10.129 4.314 1.00 2.73 H new ATOM 0 HE2 TYR A 67 -6.041 -9.810 0.190 1.00 1.71 H new ATOM 0 HH TYR A 67 -4.897 -10.951 1.740 1.00 2.14 H new ATOM 1051 N ASN A 68 -13.713 -7.844 1.510 1.00 1.41 N ATOM 1052 CA ASN A 68 -15.033 -7.322 1.892 1.00 1.56 C ATOM 1053 C ASN A 68 -15.387 -5.938 1.301 1.00 1.26 C ATOM 1054 O ASN A 68 -15.976 -5.108 2.000 1.00 1.18 O ATOM 1055 CB ASN A 68 -15.251 -7.417 3.426 1.00 1.91 C ATOM 1056 CG ASN A 68 -15.114 -8.799 4.043 1.00 3.10 C ATOM 1057 OD1 ASN A 68 -14.649 -9.756 3.438 1.00 4.29 O ATOM 1058 ND2 ASN A 68 -15.511 -8.965 5.280 1.00 3.59 N ATOM 0 H ASN A 68 -13.793 -8.691 0.947 1.00 1.41 H new ATOM 0 HA ASN A 68 -15.760 -7.980 1.416 1.00 1.56 H new ATOM 0 HB2 ASN A 68 -14.538 -6.753 3.914 1.00 1.91 H new ATOM 0 HB3 ASN A 68 -16.247 -7.038 3.654 1.00 1.91 H new ATOM 0 HD21 ASN A 68 -15.430 -9.880 5.723 1.00 3.59 H new ATOM 0 HD22 ASN A 68 -15.901 -8.179 5.800 1.00 3.59 H new ATOM 1065 N ARG A 69 -15.069 -5.689 0.020 1.00 1.23 N ATOM 1066 CA ARG A 69 -15.377 -4.434 -0.718 1.00 1.10 C ATOM 1067 C ARG A 69 -14.944 -3.171 0.043 1.00 0.93 C ATOM 1068 O ARG A 69 -15.751 -2.267 0.269 1.00 1.49 O ATOM 1069 CB ARG A 69 -16.862 -4.420 -1.153 1.00 1.35 C ATOM 1070 CG ARG A 69 -17.203 -5.432 -2.261 1.00 1.73 C ATOM 1071 CD ARG A 69 -16.694 -5.013 -3.651 1.00 2.31 C ATOM 1072 NE ARG A 69 -17.390 -3.823 -4.168 1.00 3.13 N ATOM 1073 CZ ARG A 69 -18.526 -3.821 -4.891 1.00 3.58 C ATOM 1074 NH1 ARG A 69 -19.160 -4.957 -5.218 1.00 3.65 N ATOM 1075 NH2 ARG A 69 -19.039 -2.651 -5.293 1.00 4.87 N ATOM 0 H ARG A 69 -14.575 -6.371 -0.556 1.00 1.23 H new ATOM 0 HA ARG A 69 -14.775 -4.418 -1.626 1.00 1.10 H new ATOM 0 HB2 ARG A 69 -17.486 -4.626 -0.283 1.00 1.35 H new ATOM 0 HB3 ARG A 69 -17.118 -3.419 -1.499 1.00 1.35 H new ATOM 0 HG2 ARG A 69 -16.775 -6.400 -2.002 1.00 1.73 H new ATOM 0 HG3 ARG A 69 -18.284 -5.563 -2.303 1.00 1.73 H new ATOM 0 HD2 ARG A 69 -15.624 -4.810 -3.597 1.00 2.31 H new ATOM 0 HD3 ARG A 69 -16.827 -5.840 -4.348 1.00 2.31 H new ATOM 0 HE ARG A 69 -16.973 -2.916 -3.959 1.00 3.13 H new ATOM 0 HH11 ARG A 69 -18.783 -5.856 -4.918 1.00 3.65 H new ATOM 0 HH12 ARG A 69 -20.019 -4.922 -5.767 1.00 3.65 H new ATOM 0 HH21 ARG A 69 -18.570 -1.778 -5.051 1.00 4.87 H new ATOM 0 HH22 ARG A 69 -19.899 -2.633 -5.841 1.00 4.87 H new ATOM 1089 N LEU A 70 -13.680 -3.110 0.471 1.00 1.08 N ATOM 1090 CA LEU A 70 -13.164 -2.045 1.345 1.00 1.21 C ATOM 1091 C LEU A 70 -12.046 -1.226 0.673 1.00 1.58 C ATOM 1092 O LEU A 70 -10.948 -1.724 0.429 1.00 3.44 O ATOM 1093 CB LEU A 70 -12.764 -2.668 2.695 1.00 1.44 C ATOM 1094 CG LEU A 70 -12.875 -1.701 3.891 1.00 1.49 C ATOM 1095 CD1 LEU A 70 -12.457 -2.426 5.158 1.00 3.06 C ATOM 1096 CD2 LEU A 70 -12.018 -0.437 3.789 1.00 2.11 C ATOM 0 H LEU A 70 -12.976 -3.804 0.220 1.00 1.08 H new ATOM 0 HA LEU A 70 -13.946 -1.310 1.534 1.00 1.21 H new ATOM 0 HB2 LEU A 70 -13.395 -3.536 2.884 1.00 1.44 H new ATOM 0 HB3 LEU A 70 -11.738 -3.029 2.627 1.00 1.44 H new ATOM 0 HG LEU A 70 -13.917 -1.381 3.900 1.00 1.49 H new ATOM 0 HD11 LEU A 70 -12.533 -1.747 6.008 1.00 3.06 H new ATOM 0 HD12 LEU A 70 -13.110 -3.284 5.319 1.00 3.06 H new ATOM 0 HD13 LEU A 70 -11.427 -2.768 5.058 1.00 3.06 H new ATOM 0 HD21 LEU A 70 -12.167 0.176 4.678 1.00 2.11 H new ATOM 0 HD22 LEU A 70 -10.967 -0.715 3.712 1.00 2.11 H new ATOM 0 HD23 LEU A 70 -12.309 0.130 2.904 1.00 2.11 H new ATOM 1108 N ALA A 71 -12.341 0.040 0.368 1.00 0.81 N ATOM 1109 CA ALA A 71 -11.454 0.982 -0.314 1.00 0.95 C ATOM 1110 C ALA A 71 -10.486 1.751 0.623 1.00 1.14 C ATOM 1111 O ALA A 71 -10.670 1.818 1.842 1.00 2.00 O ATOM 1112 CB ALA A 71 -12.349 1.936 -1.113 1.00 1.26 C ATOM 0 H ALA A 71 -13.244 0.453 0.600 1.00 0.81 H new ATOM 0 HA ALA A 71 -10.783 0.421 -0.964 1.00 0.95 H new ATOM 0 HB1 ALA A 71 -11.729 2.660 -1.641 1.00 1.26 H new ATOM 0 HB2 ALA A 71 -12.936 1.367 -1.834 1.00 1.26 H new ATOM 0 HB3 ALA A 71 -13.020 2.461 -0.433 1.00 1.26 H new ATOM 1118 N MET A 72 -9.459 2.380 0.032 1.00 0.85 N ATOM 1119 CA MET A 72 -8.535 3.305 0.713 1.00 0.90 C ATOM 1120 C MET A 72 -8.156 4.512 -0.186 1.00 0.93 C ATOM 1121 O MET A 72 -8.290 4.395 -1.410 1.00 0.78 O ATOM 1122 CB MET A 72 -7.302 2.540 1.245 1.00 1.08 C ATOM 1123 CG MET A 72 -6.315 2.068 0.166 1.00 0.90 C ATOM 1124 SD MET A 72 -4.861 1.184 0.827 1.00 0.79 S ATOM 1125 CE MET A 72 -3.861 1.051 -0.676 1.00 1.32 C ATOM 0 H MET A 72 -9.241 2.258 -0.957 1.00 0.85 H new ATOM 0 HA MET A 72 -9.048 3.731 1.575 1.00 0.90 H new ATOM 0 HB2 MET A 72 -6.770 3.182 1.947 1.00 1.08 H new ATOM 0 HB3 MET A 72 -7.646 1.671 1.806 1.00 1.08 H new ATOM 0 HG2 MET A 72 -6.839 1.414 -0.531 1.00 0.90 H new ATOM 0 HG3 MET A 72 -5.974 2.933 -0.403 1.00 0.90 H new ATOM 0 HE1 MET A 72 -3.049 0.343 -0.511 1.00 1.32 H new ATOM 0 HE2 MET A 72 -4.485 0.703 -1.499 1.00 1.32 H new ATOM 0 HE3 MET A 72 -3.446 2.028 -0.924 1.00 1.32 H new ATOM 1135 N PRO A 73 -7.711 5.659 0.376 1.00 1.25 N ATOM 1136 CA PRO A 73 -7.379 6.875 -0.381 1.00 1.37 C ATOM 1137 C PRO A 73 -5.863 7.127 -0.574 1.00 1.42 C ATOM 1138 O PRO A 73 -5.030 6.468 0.041 1.00 1.37 O ATOM 1139 CB PRO A 73 -8.024 7.992 0.447 1.00 1.42 C ATOM 1140 CG PRO A 73 -7.754 7.531 1.876 1.00 1.46 C ATOM 1141 CD PRO A 73 -7.867 6.006 1.786 1.00 1.41 C ATOM 0 HA PRO A 73 -7.745 6.804 -1.405 1.00 1.37 H new ATOM 0 HB2 PRO A 73 -7.574 8.963 0.241 1.00 1.42 H new ATOM 0 HB3 PRO A 73 -9.091 8.085 0.244 1.00 1.42 H new ATOM 0 HG2 PRO A 73 -6.767 7.841 2.218 1.00 1.46 H new ATOM 0 HG3 PRO A 73 -8.479 7.947 2.576 1.00 1.46 H new ATOM 0 HD2 PRO A 73 -7.099 5.524 2.391 1.00 1.41 H new ATOM 0 HD3 PRO A 73 -8.831 5.666 2.164 1.00 1.41 H new ATOM 1149 N ASN A 74 -5.530 8.133 -1.394 1.00 1.56 N ATOM 1150 CA ASN A 74 -4.196 8.726 -1.618 1.00 1.63 C ATOM 1151 C ASN A 74 -3.748 9.708 -0.505 1.00 1.82 C ATOM 1152 O ASN A 74 -2.555 9.986 -0.364 1.00 3.58 O ATOM 1153 CB ASN A 74 -4.256 9.435 -2.994 1.00 1.61 C ATOM 1154 CG ASN A 74 -3.161 10.470 -3.231 1.00 1.70 C ATOM 1155 OD1 ASN A 74 -3.331 11.666 -3.028 1.00 1.85 O ATOM 1156 ND2 ASN A 74 -2.004 10.044 -3.666 1.00 2.62 N ATOM 0 H ASN A 74 -6.239 8.592 -1.965 1.00 1.56 H new ATOM 0 HA ASN A 74 -3.447 7.935 -1.597 1.00 1.63 H new ATOM 0 HB2 ASN A 74 -4.198 8.680 -3.778 1.00 1.61 H new ATOM 0 HB3 ASN A 74 -5.225 9.924 -3.093 1.00 1.61 H new ATOM 0 HD21 ASN A 74 -1.247 10.707 -3.835 1.00 2.62 H new ATOM 0 HD22 ASN A 74 -1.858 9.049 -3.836 1.00 2.62 H new ATOM 1163 N MET A 75 -4.695 10.256 0.264 1.00 1.25 N ATOM 1164 CA MET A 75 -4.489 11.344 1.237 1.00 1.47 C ATOM 1165 C MET A 75 -3.846 12.598 0.600 1.00 1.61 C ATOM 1166 O MET A 75 -4.557 13.471 0.093 1.00 2.82 O ATOM 1167 CB MET A 75 -3.764 10.873 2.526 1.00 1.82 C ATOM 1168 CG MET A 75 -4.219 9.534 3.115 1.00 1.69 C ATOM 1169 SD MET A 75 -3.218 8.130 2.540 1.00 2.61 S ATOM 1170 CE MET A 75 -3.991 6.775 3.449 1.00 3.16 C ATOM 0 H MET A 75 -5.666 9.944 0.227 1.00 1.25 H new ATOM 0 HA MET A 75 -5.483 11.653 1.560 1.00 1.47 H new ATOM 0 HB2 MET A 75 -2.697 10.807 2.313 1.00 1.82 H new ATOM 0 HB3 MET A 75 -3.890 11.642 3.289 1.00 1.82 H new ATOM 0 HG2 MET A 75 -4.171 9.586 4.203 1.00 1.69 H new ATOM 0 HG3 MET A 75 -5.262 9.362 2.850 1.00 1.69 H new ATOM 0 HE1 MET A 75 -3.385 5.875 3.346 1.00 3.16 H new ATOM 0 HE2 MET A 75 -4.069 7.042 4.503 1.00 3.16 H new ATOM 0 HE3 MET A 75 -4.987 6.589 3.048 1.00 3.16 H new ATOM 1180 N ARG A 76 -2.511 12.677 0.657 1.00 1.64 N ATOM 1181 CA ARG A 76 -1.623 13.765 0.198 1.00 1.74 C ATOM 1182 C ARG A 76 -0.244 13.239 -0.254 1.00 1.17 C ATOM 1183 O ARG A 76 0.734 13.986 -0.257 1.00 1.39 O ATOM 1184 CB ARG A 76 -1.457 14.826 1.317 1.00 2.51 C ATOM 1185 CG ARG A 76 -2.731 15.550 1.791 1.00 3.52 C ATOM 1186 CD ARG A 76 -3.395 16.427 0.719 1.00 3.64 C ATOM 1187 NE ARG A 76 -2.593 17.620 0.394 1.00 4.37 N ATOM 1188 CZ ARG A 76 -2.662 18.811 1.021 1.00 5.46 C ATOM 1189 NH1 ARG A 76 -3.496 19.024 2.050 1.00 6.15 N ATOM 1190 NH2 ARG A 76 -1.873 19.812 0.606 1.00 6.45 N ATOM 0 H ARG A 76 -1.970 11.913 1.062 1.00 1.64 H new ATOM 0 HA ARG A 76 -2.092 14.227 -0.671 1.00 1.74 H new ATOM 0 HB2 ARG A 76 -1.003 14.339 2.180 1.00 2.51 H new ATOM 0 HB3 ARG A 76 -0.750 15.579 0.968 1.00 2.51 H new ATOM 0 HG2 ARG A 76 -3.451 14.807 2.133 1.00 3.52 H new ATOM 0 HG3 ARG A 76 -2.483 16.173 2.651 1.00 3.52 H new ATOM 0 HD2 ARG A 76 -3.548 15.838 -0.185 1.00 3.64 H new ATOM 0 HD3 ARG A 76 -4.380 16.738 1.067 1.00 3.64 H new ATOM 0 HE ARG A 76 -1.927 17.537 -0.374 1.00 4.37 H new ATOM 0 HH11 ARG A 76 -4.102 18.273 2.379 1.00 6.15 H new ATOM 0 HH12 ARG A 76 -3.524 19.937 2.503 1.00 6.15 H new ATOM 0 HH21 ARG A 76 -1.232 19.666 -0.174 1.00 6.45 H new ATOM 0 HH22 ARG A 76 -1.914 20.719 1.070 1.00 6.45 H new ATOM 1204 N LEU A 77 -0.116 11.939 -0.540 1.00 0.99 N ATOM 1205 CA LEU A 77 1.182 11.258 -0.691 1.00 0.96 C ATOM 1206 C LEU A 77 2.057 11.859 -1.809 1.00 1.10 C ATOM 1207 O LEU A 77 1.610 11.990 -2.951 1.00 1.36 O ATOM 1208 CB LEU A 77 0.936 9.763 -0.968 1.00 1.25 C ATOM 1209 CG LEU A 77 0.498 8.936 0.256 1.00 1.06 C ATOM 1210 CD1 LEU A 77 0.020 7.565 -0.216 1.00 2.07 C ATOM 1211 CD2 LEU A 77 1.644 8.732 1.252 1.00 2.02 C ATOM 0 H LEU A 77 -0.916 11.321 -0.675 1.00 0.99 H new ATOM 0 HA LEU A 77 1.731 11.396 0.241 1.00 0.96 H new ATOM 0 HB2 LEU A 77 0.172 9.673 -1.740 1.00 1.25 H new ATOM 0 HB3 LEU A 77 1.850 9.329 -1.372 1.00 1.25 H new ATOM 0 HG LEU A 77 -0.299 9.484 0.759 1.00 1.06 H new ATOM 0 HD11 LEU A 77 -0.292 6.973 0.644 1.00 2.07 H new ATOM 0 HD12 LEU A 77 -0.822 7.688 -0.897 1.00 2.07 H new ATOM 0 HD13 LEU A 77 0.833 7.054 -0.733 1.00 2.07 H new ATOM 0 HD21 LEU A 77 1.290 8.144 2.099 1.00 2.02 H new ATOM 0 HD22 LEU A 77 2.463 8.205 0.762 1.00 2.02 H new ATOM 0 HD23 LEU A 77 1.996 9.701 1.605 1.00 2.02 H new ATOM 1223 N GLY A 78 3.311 12.193 -1.495 1.00 1.13 N ATOM 1224 CA GLY A 78 4.342 12.582 -2.468 1.00 1.32 C ATOM 1225 C GLY A 78 5.236 11.404 -2.884 1.00 1.06 C ATOM 1226 O GLY A 78 5.532 10.537 -2.064 1.00 0.86 O ATOM 0 H GLY A 78 3.649 12.201 -0.533 1.00 1.13 H new ATOM 0 HA2 GLY A 78 3.862 12.999 -3.353 1.00 1.32 H new ATOM 0 HA3 GLY A 78 4.962 13.370 -2.040 1.00 1.32 H new ATOM 1230 N ASP A 79 5.704 11.362 -4.135 1.00 1.20 N ATOM 1231 CA ASP A 79 6.565 10.281 -4.659 1.00 1.16 C ATOM 1232 C ASP A 79 7.851 10.045 -3.835 1.00 0.98 C ATOM 1233 O ASP A 79 8.294 8.900 -3.698 1.00 1.19 O ATOM 1234 CB ASP A 79 6.942 10.572 -6.121 1.00 1.45 C ATOM 1235 CG ASP A 79 5.805 10.273 -7.098 1.00 2.59 C ATOM 1236 OD1 ASP A 79 4.991 11.186 -7.381 1.00 3.62 O ATOM 1237 OD2 ASP A 79 5.748 9.141 -7.635 1.00 3.53 O ATOM 0 H ASP A 79 5.497 12.083 -4.826 1.00 1.20 H new ATOM 0 HA ASP A 79 5.976 9.367 -4.584 1.00 1.16 H new ATOM 0 HB2 ASP A 79 7.230 11.619 -6.215 1.00 1.45 H new ATOM 0 HB3 ASP A 79 7.814 9.976 -6.392 1.00 1.45 H new ATOM 1242 N ALA A 80 8.440 11.090 -3.245 1.00 1.01 N ATOM 1243 CA ALA A 80 9.628 10.971 -2.394 1.00 1.01 C ATOM 1244 C ALA A 80 9.318 10.428 -0.981 1.00 0.89 C ATOM 1245 O ALA A 80 10.196 9.846 -0.341 1.00 1.04 O ATOM 1246 CB ALA A 80 10.318 12.336 -2.335 1.00 1.31 C ATOM 0 H ALA A 80 8.104 12.048 -3.345 1.00 1.01 H new ATOM 0 HA ALA A 80 10.295 10.231 -2.837 1.00 1.01 H new ATOM 0 HB1 ALA A 80 11.205 12.268 -1.706 1.00 1.31 H new ATOM 0 HB2 ALA A 80 10.609 12.641 -3.340 1.00 1.31 H new ATOM 0 HB3 ALA A 80 9.632 13.073 -1.917 1.00 1.31 H new ATOM 1252 N GLU A 81 8.077 10.574 -0.505 1.00 0.82 N ATOM 1253 CA GLU A 81 7.603 9.966 0.748 1.00 0.87 C ATOM 1254 C GLU A 81 7.152 8.509 0.508 1.00 0.73 C ATOM 1255 O GLU A 81 7.512 7.606 1.262 1.00 0.81 O ATOM 1256 CB GLU A 81 6.573 10.898 1.432 1.00 1.14 C ATOM 1257 CG GLU A 81 5.097 10.469 1.426 1.00 1.54 C ATOM 1258 CD GLU A 81 4.227 11.552 2.079 1.00 1.48 C ATOM 1259 OE1 GLU A 81 3.904 12.566 1.416 1.00 2.27 O ATOM 1260 OE2 GLU A 81 3.853 11.434 3.268 1.00 2.40 O ATOM 0 H GLU A 81 7.363 11.124 -0.983 1.00 0.82 H new ATOM 0 HA GLU A 81 8.414 9.875 1.470 1.00 0.87 H new ATOM 0 HB2 GLU A 81 6.879 11.029 2.470 1.00 1.14 H new ATOM 0 HB3 GLU A 81 6.639 11.876 0.955 1.00 1.14 H new ATOM 0 HG2 GLU A 81 4.766 10.295 0.402 1.00 1.54 H new ATOM 0 HG3 GLU A 81 4.982 9.527 1.963 1.00 1.54 H new ATOM 1267 N VAL A 82 6.490 8.249 -0.625 1.00 0.63 N ATOM 1268 CA VAL A 82 6.189 6.901 -1.136 1.00 0.61 C ATOM 1269 C VAL A 82 7.472 6.077 -1.312 1.00 0.61 C ATOM 1270 O VAL A 82 7.479 4.912 -0.940 1.00 0.64 O ATOM 1271 CB VAL A 82 5.395 7.004 -2.456 1.00 0.68 C ATOM 1272 CG1 VAL A 82 5.250 5.671 -3.197 1.00 0.79 C ATOM 1273 CG2 VAL A 82 3.976 7.523 -2.180 1.00 0.78 C ATOM 0 H VAL A 82 6.138 8.990 -1.231 1.00 0.63 H new ATOM 0 HA VAL A 82 5.572 6.378 -0.405 1.00 0.61 H new ATOM 0 HB VAL A 82 5.969 7.686 -3.083 1.00 0.68 H new ATOM 0 HG11 VAL A 82 4.681 5.824 -4.114 1.00 0.79 H new ATOM 0 HG12 VAL A 82 6.238 5.283 -3.444 1.00 0.79 H new ATOM 0 HG13 VAL A 82 4.728 4.956 -2.561 1.00 0.79 H new ATOM 0 HG21 VAL A 82 3.425 7.592 -3.118 1.00 0.78 H new ATOM 0 HG22 VAL A 82 3.462 6.837 -1.507 1.00 0.78 H new ATOM 0 HG23 VAL A 82 4.032 8.509 -1.719 1.00 0.78 H new ATOM 1283 N SER A 83 8.580 6.667 -1.779 1.00 0.66 N ATOM 1284 CA SER A 83 9.886 5.986 -1.895 1.00 0.70 C ATOM 1285 C SER A 83 10.429 5.477 -0.545 1.00 0.66 C ATOM 1286 O SER A 83 10.879 4.330 -0.430 1.00 0.66 O ATOM 1287 CB SER A 83 10.889 6.953 -2.533 1.00 0.85 C ATOM 1288 OG SER A 83 12.156 6.344 -2.645 1.00 2.21 O ATOM 0 H SER A 83 8.600 7.638 -2.091 1.00 0.66 H new ATOM 0 HA SER A 83 9.744 5.103 -2.518 1.00 0.70 H new ATOM 0 HB2 SER A 83 10.536 7.256 -3.519 1.00 0.85 H new ATOM 0 HB3 SER A 83 10.965 7.858 -1.930 1.00 0.85 H new ATOM 0 HG SER A 83 12.786 6.973 -3.055 1.00 2.21 H new ATOM 1294 N ALA A 84 10.333 6.297 0.506 1.00 0.72 N ATOM 1295 CA ALA A 84 10.715 5.901 1.862 1.00 0.75 C ATOM 1296 C ALA A 84 9.764 4.828 2.432 1.00 0.62 C ATOM 1297 O ALA A 84 10.201 3.911 3.122 1.00 0.60 O ATOM 1298 CB ALA A 84 10.749 7.165 2.729 1.00 0.88 C ATOM 0 H ALA A 84 9.988 7.254 0.439 1.00 0.72 H new ATOM 0 HA ALA A 84 11.702 5.440 1.852 1.00 0.75 H new ATOM 0 HB1 ALA A 84 11.031 6.900 3.748 1.00 0.88 H new ATOM 0 HB2 ALA A 84 11.477 7.866 2.321 1.00 0.88 H new ATOM 0 HB3 ALA A 84 9.763 7.629 2.735 1.00 0.88 H new ATOM 1304 N LEU A 85 8.472 4.892 2.094 1.00 0.59 N ATOM 1305 CA LEU A 85 7.451 3.912 2.483 1.00 0.53 C ATOM 1306 C LEU A 85 7.597 2.555 1.754 1.00 0.51 C ATOM 1307 O LEU A 85 7.382 1.503 2.354 1.00 0.59 O ATOM 1308 CB LEU A 85 6.097 4.594 2.226 1.00 0.68 C ATOM 1309 CG LEU A 85 4.855 3.937 2.843 1.00 1.08 C ATOM 1310 CD1 LEU A 85 4.947 3.808 4.365 1.00 2.10 C ATOM 1311 CD2 LEU A 85 3.655 4.821 2.482 1.00 1.99 C ATOM 0 H LEU A 85 8.096 5.650 1.525 1.00 0.59 H new ATOM 0 HA LEU A 85 7.556 3.640 3.533 1.00 0.53 H new ATOM 0 HB2 LEU A 85 6.158 5.617 2.597 1.00 0.68 H new ATOM 0 HB3 LEU A 85 5.948 4.654 1.148 1.00 0.68 H new ATOM 0 HG LEU A 85 4.759 2.925 2.450 1.00 1.08 H new ATOM 0 HD11 LEU A 85 4.041 3.337 4.746 1.00 2.10 H new ATOM 0 HD12 LEU A 85 5.811 3.197 4.627 1.00 2.10 H new ATOM 0 HD13 LEU A 85 5.055 4.798 4.808 1.00 2.10 H new ATOM 0 HD21 LEU A 85 2.746 4.390 2.902 1.00 1.99 H new ATOM 0 HD22 LEU A 85 3.804 5.821 2.889 1.00 1.99 H new ATOM 0 HD23 LEU A 85 3.560 4.881 1.398 1.00 1.99 H new ATOM 1323 N ILE A 86 8.038 2.578 0.491 1.00 0.51 N ATOM 1324 CA ILE A 86 8.417 1.411 -0.331 1.00 0.60 C ATOM 1325 C ILE A 86 9.611 0.697 0.296 1.00 0.69 C ATOM 1326 O ILE A 86 9.608 -0.530 0.413 1.00 0.86 O ATOM 1327 CB ILE A 86 8.687 1.850 -1.801 1.00 0.67 C ATOM 1328 CG1 ILE A 86 7.565 1.353 -2.732 1.00 1.00 C ATOM 1329 CG2 ILE A 86 10.016 1.376 -2.417 1.00 1.02 C ATOM 1330 CD1 ILE A 86 6.171 1.845 -2.341 1.00 0.87 C ATOM 0 H ILE A 86 8.148 3.456 -0.017 1.00 0.51 H new ATOM 0 HA ILE A 86 7.592 0.699 -0.359 1.00 0.60 H new ATOM 0 HB ILE A 86 8.733 2.937 -1.729 1.00 0.67 H new ATOM 0 HG12 ILE A 86 7.781 1.677 -3.750 1.00 1.00 H new ATOM 0 HG13 ILE A 86 7.567 0.263 -2.737 1.00 1.00 H new ATOM 0 HG21 ILE A 86 10.093 1.742 -3.441 1.00 1.02 H new ATOM 0 HG22 ILE A 86 10.848 1.764 -1.829 1.00 1.02 H new ATOM 0 HG23 ILE A 86 10.049 0.286 -2.417 1.00 1.02 H new ATOM 0 HD11 ILE A 86 5.436 1.453 -3.044 1.00 0.87 H new ATOM 0 HD12 ILE A 86 5.932 1.499 -1.335 1.00 0.87 H new ATOM 0 HD13 ILE A 86 6.150 2.935 -2.364 1.00 0.87 H new ATOM 1342 N SER A 87 10.591 1.487 0.742 1.00 0.66 N ATOM 1343 CA SER A 87 11.766 1.013 1.469 1.00 0.76 C ATOM 1344 C SER A 87 11.371 0.467 2.845 1.00 0.78 C ATOM 1345 O SER A 87 11.862 -0.589 3.239 1.00 1.02 O ATOM 1346 CB SER A 87 12.794 2.141 1.614 1.00 0.80 C ATOM 1347 OG SER A 87 13.150 2.696 0.356 1.00 1.51 O ATOM 0 H SER A 87 10.587 2.497 0.603 1.00 0.66 H new ATOM 0 HA SER A 87 12.217 0.201 0.898 1.00 0.76 H new ATOM 0 HB2 SER A 87 12.387 2.924 2.254 1.00 0.80 H new ATOM 0 HB3 SER A 87 13.687 1.758 2.108 1.00 0.80 H new ATOM 0 HG SER A 87 12.420 3.262 0.030 1.00 1.51 H new ATOM 1353 N TYR A 88 10.436 1.123 3.552 1.00 0.62 N ATOM 1354 CA TYR A 88 9.991 0.674 4.878 1.00 0.63 C ATOM 1355 C TYR A 88 9.359 -0.718 4.844 1.00 0.66 C ATOM 1356 O TYR A 88 9.759 -1.584 5.618 1.00 0.76 O ATOM 1357 CB TYR A 88 9.046 1.696 5.521 1.00 0.68 C ATOM 1358 CG TYR A 88 8.686 1.353 6.959 1.00 0.74 C ATOM 1359 CD1 TYR A 88 9.637 1.544 7.979 1.00 2.39 C ATOM 1360 CD2 TYR A 88 7.428 0.797 7.271 1.00 1.59 C ATOM 1361 CE1 TYR A 88 9.345 1.150 9.299 1.00 2.73 C ATOM 1362 CE2 TYR A 88 7.133 0.400 8.590 1.00 1.37 C ATOM 1363 CZ TYR A 88 8.098 0.574 9.606 1.00 1.28 C ATOM 1364 OH TYR A 88 7.843 0.190 10.884 1.00 1.65 O ATOM 0 H TYR A 88 9.973 1.970 3.223 1.00 0.62 H new ATOM 0 HA TYR A 88 10.884 0.598 5.499 1.00 0.63 H new ATOM 0 HB2 TYR A 88 9.513 2.681 5.494 1.00 0.68 H new ATOM 0 HB3 TYR A 88 8.133 1.760 4.929 1.00 0.68 H new ATOM 0 HD1 TYR A 88 10.592 1.993 7.749 1.00 2.39 H new ATOM 0 HD2 TYR A 88 6.687 0.675 6.495 1.00 1.59 H new ATOM 0 HE1 TYR A 88 10.080 1.290 10.078 1.00 2.73 H new ATOM 0 HE2 TYR A 88 6.173 -0.036 8.823 1.00 1.37 H new ATOM 0 HH TYR A 88 6.941 -0.189 10.938 1.00 1.65 H new ATOM 1374 N LEU A 89 8.427 -0.971 3.919 1.00 0.68 N ATOM 1375 CA LEU A 89 7.748 -2.266 3.818 1.00 0.84 C ATOM 1376 C LEU A 89 8.726 -3.428 3.549 1.00 1.03 C ATOM 1377 O LEU A 89 8.608 -4.474 4.193 1.00 1.37 O ATOM 1378 CB LEU A 89 6.635 -2.174 2.753 1.00 0.81 C ATOM 1379 CG LEU A 89 5.221 -1.930 3.319 1.00 1.04 C ATOM 1380 CD1 LEU A 89 5.112 -0.702 4.225 1.00 1.73 C ATOM 1381 CD2 LEU A 89 4.227 -1.755 2.168 1.00 1.47 C ATOM 0 H LEU A 89 8.124 -0.289 3.224 1.00 0.68 H new ATOM 0 HA LEU A 89 7.293 -2.496 4.781 1.00 0.84 H new ATOM 0 HB2 LEU A 89 6.879 -1.368 2.061 1.00 0.81 H new ATOM 0 HB3 LEU A 89 6.626 -3.098 2.175 1.00 0.81 H new ATOM 0 HG LEU A 89 4.995 -2.806 3.927 1.00 1.04 H new ATOM 0 HD11 LEU A 89 4.086 -0.602 4.581 1.00 1.73 H new ATOM 0 HD12 LEU A 89 5.782 -0.818 5.077 1.00 1.73 H new ATOM 0 HD13 LEU A 89 5.390 0.190 3.664 1.00 1.73 H new ATOM 0 HD21 LEU A 89 3.229 -1.583 2.572 1.00 1.47 H new ATOM 0 HD22 LEU A 89 4.524 -0.902 1.558 1.00 1.47 H new ATOM 0 HD23 LEU A 89 4.219 -2.655 1.554 1.00 1.47 H new ATOM 1393 N GLU A 90 9.700 -3.274 2.643 1.00 0.96 N ATOM 1394 CA GLU A 90 10.659 -4.355 2.351 1.00 1.22 C ATOM 1395 C GLU A 90 11.806 -4.502 3.361 1.00 0.99 C ATOM 1396 O GLU A 90 12.296 -5.619 3.549 1.00 1.01 O ATOM 1397 CB GLU A 90 11.164 -4.311 0.902 1.00 1.75 C ATOM 1398 CG GLU A 90 12.046 -3.126 0.489 1.00 1.48 C ATOM 1399 CD GLU A 90 12.456 -3.282 -0.984 1.00 1.76 C ATOM 1400 OE1 GLU A 90 11.567 -3.219 -1.871 1.00 2.99 O ATOM 1401 OE2 GLU A 90 13.650 -3.566 -1.258 1.00 2.07 O ATOM 0 H GLU A 90 9.847 -2.421 2.103 1.00 0.96 H new ATOM 0 HA GLU A 90 10.076 -5.268 2.472 1.00 1.22 H new ATOM 0 HB2 GLU A 90 11.724 -5.227 0.714 1.00 1.75 H new ATOM 0 HB3 GLU A 90 10.295 -4.328 0.244 1.00 1.75 H new ATOM 0 HG2 GLU A 90 11.506 -2.190 0.630 1.00 1.48 H new ATOM 0 HG3 GLU A 90 12.932 -3.081 1.122 1.00 1.48 H new ATOM 1408 N GLU A 91 12.235 -3.431 4.033 1.00 0.87 N ATOM 1409 CA GLU A 91 13.276 -3.492 5.072 1.00 0.88 C ATOM 1410 C GLU A 91 12.732 -3.922 6.440 1.00 0.93 C ATOM 1411 O GLU A 91 13.378 -4.722 7.112 1.00 1.06 O ATOM 1412 CB GLU A 91 14.019 -2.155 5.169 1.00 1.03 C ATOM 1413 CG GLU A 91 14.990 -1.933 4.000 1.00 1.56 C ATOM 1414 CD GLU A 91 16.253 -2.780 4.171 1.00 2.88 C ATOM 1415 OE1 GLU A 91 16.288 -3.949 3.710 1.00 4.44 O ATOM 1416 OE2 GLU A 91 17.214 -2.283 4.808 1.00 3.13 O ATOM 0 H GLU A 91 11.871 -2.491 3.874 1.00 0.87 H new ATOM 0 HA GLU A 91 13.981 -4.266 4.767 1.00 0.88 H new ATOM 0 HB2 GLU A 91 13.294 -1.342 5.194 1.00 1.03 H new ATOM 0 HB3 GLU A 91 14.572 -2.118 6.108 1.00 1.03 H new ATOM 0 HG2 GLU A 91 14.500 -2.190 3.061 1.00 1.56 H new ATOM 0 HG3 GLU A 91 15.260 -0.879 3.941 1.00 1.56 H new ATOM 1423 N GLU A 92 11.528 -3.491 6.832 1.00 0.99 N ATOM 1424 CA GLU A 92 10.875 -3.975 8.058 1.00 1.30 C ATOM 1425 C GLU A 92 10.600 -5.482 7.946 1.00 1.47 C ATOM 1426 O GLU A 92 10.847 -6.217 8.902 1.00 1.69 O ATOM 1427 CB GLU A 92 9.592 -3.161 8.325 1.00 1.45 C ATOM 1428 CG GLU A 92 8.765 -3.566 9.561 1.00 2.11 C ATOM 1429 CD GLU A 92 9.388 -3.225 10.925 1.00 2.53 C ATOM 1430 OE1 GLU A 92 10.626 -3.087 11.046 1.00 2.85 O ATOM 1431 OE2 GLU A 92 8.629 -3.159 11.924 1.00 3.55 O ATOM 0 H GLU A 92 10.981 -2.803 6.315 1.00 0.99 H new ATOM 0 HA GLU A 92 11.536 -3.830 8.913 1.00 1.30 H new ATOM 0 HB2 GLU A 92 9.869 -2.112 8.429 1.00 1.45 H new ATOM 0 HB3 GLU A 92 8.951 -3.236 7.446 1.00 1.45 H new ATOM 0 HG2 GLU A 92 7.790 -3.082 9.497 1.00 2.11 H new ATOM 0 HG3 GLU A 92 8.590 -4.641 9.521 1.00 2.11 H new ATOM 1438 N THR A 93 10.202 -5.951 6.752 1.00 1.49 N ATOM 1439 CA THR A 93 10.105 -7.381 6.400 1.00 1.68 C ATOM 1440 C THR A 93 11.458 -8.093 6.536 1.00 1.64 C ATOM 1441 O THR A 93 11.546 -9.130 7.198 1.00 1.96 O ATOM 1442 CB THR A 93 9.566 -7.559 4.964 1.00 1.74 C ATOM 1443 OG1 THR A 93 8.256 -7.044 4.839 1.00 2.36 O ATOM 1444 CG2 THR A 93 9.502 -9.023 4.519 1.00 1.82 C ATOM 0 H THR A 93 9.932 -5.334 5.986 1.00 1.49 H new ATOM 0 HA THR A 93 9.407 -7.836 7.103 1.00 1.68 H new ATOM 0 HB THR A 93 10.272 -7.016 4.336 1.00 1.74 H new ATOM 0 HG1 THR A 93 8.299 -6.102 4.571 1.00 2.36 H new ATOM 0 HG21 THR A 93 9.115 -9.077 3.502 1.00 1.82 H new ATOM 0 HG22 THR A 93 10.501 -9.457 4.551 1.00 1.82 H new ATOM 0 HG23 THR A 93 8.844 -9.578 5.188 1.00 1.82 H new ATOM 1452 N ALA A 94 12.524 -7.545 5.940 1.00 1.32 N ATOM 1453 CA ALA A 94 13.854 -8.164 5.924 1.00 1.33 C ATOM 1454 C ALA A 94 14.583 -8.152 7.285 1.00 1.39 C ATOM 1455 O ALA A 94 15.507 -8.947 7.482 1.00 1.60 O ATOM 1456 CB ALA A 94 14.693 -7.481 4.837 1.00 1.34 C ATOM 0 H ALA A 94 12.487 -6.651 5.451 1.00 1.32 H new ATOM 0 HA ALA A 94 13.718 -9.222 5.702 1.00 1.33 H new ATOM 0 HB1 ALA A 94 15.687 -7.928 4.810 1.00 1.34 H new ATOM 0 HB2 ALA A 94 14.210 -7.611 3.869 1.00 1.34 H new ATOM 0 HB3 ALA A 94 14.780 -6.417 5.059 1.00 1.34 H new ATOM 1462 N ARG A 95 14.194 -7.276 8.219 1.00 1.43 N ATOM 1463 CA ARG A 95 14.762 -7.145 9.578 1.00 1.80 C ATOM 1464 C ARG A 95 13.894 -7.747 10.693 1.00 2.24 C ATOM 1465 O ARG A 95 14.238 -7.587 11.863 1.00 2.97 O ATOM 1466 CB ARG A 95 15.051 -5.651 9.840 1.00 2.08 C ATOM 1467 CG ARG A 95 16.160 -5.080 8.936 1.00 2.73 C ATOM 1468 CD ARG A 95 16.273 -3.553 9.040 1.00 3.22 C ATOM 1469 NE ARG A 95 16.596 -3.104 10.403 1.00 3.35 N ATOM 1470 CZ ARG A 95 16.923 -1.847 10.756 1.00 4.28 C ATOM 1471 NH1 ARG A 95 17.023 -0.865 9.846 1.00 5.00 N ATOM 1472 NH2 ARG A 95 17.152 -1.568 12.046 1.00 5.18 N ATOM 0 H ARG A 95 13.443 -6.608 8.047 1.00 1.43 H new ATOM 0 HA ARG A 95 15.680 -7.732 9.606 1.00 1.80 H new ATOM 0 HB2 ARG A 95 14.136 -5.078 9.688 1.00 2.08 H new ATOM 0 HB3 ARG A 95 15.339 -5.521 10.883 1.00 2.08 H new ATOM 0 HG2 ARG A 95 17.114 -5.531 9.208 1.00 2.73 H new ATOM 0 HG3 ARG A 95 15.959 -5.357 7.901 1.00 2.73 H new ATOM 0 HD2 ARG A 95 17.043 -3.201 8.353 1.00 3.22 H new ATOM 0 HD3 ARG A 95 15.333 -3.100 8.725 1.00 3.22 H new ATOM 0 HE ARG A 95 16.570 -3.805 11.144 1.00 3.35 H new ATOM 0 HH11 ARG A 95 16.850 -1.063 8.861 1.00 5.00 H new ATOM 0 HH12 ARG A 95 17.272 0.079 10.140 1.00 5.00 H new ATOM 0 HH21 ARG A 95 17.078 -2.304 12.748 1.00 5.18 H new ATOM 0 HH22 ARG A 95 17.401 -0.619 12.326 1.00 5.18 H new ATOM 1486 N LEU A 96 12.783 -8.415 10.355 1.00 2.13 N ATOM 1487 CA LEU A 96 11.732 -8.848 11.296 1.00 2.71 C ATOM 1488 C LEU A 96 12.215 -9.925 12.296 1.00 3.13 C ATOM 1489 O LEU A 96 11.976 -11.125 12.135 1.00 3.41 O ATOM 1490 CB LEU A 96 10.470 -9.257 10.499 1.00 3.06 C ATOM 1491 CG LEU A 96 9.096 -9.085 11.157 1.00 4.02 C ATOM 1492 CD1 LEU A 96 9.088 -9.493 12.614 1.00 4.33 C ATOM 1493 CD2 LEU A 96 8.653 -7.632 11.054 1.00 4.65 C ATOM 0 H LEU A 96 12.581 -8.679 9.391 1.00 2.13 H new ATOM 0 HA LEU A 96 11.468 -8.006 11.935 1.00 2.71 H new ATOM 0 HB2 LEU A 96 10.466 -8.686 9.571 1.00 3.06 H new ATOM 0 HB3 LEU A 96 10.577 -10.307 10.227 1.00 3.06 H new ATOM 0 HG LEU A 96 8.409 -9.741 10.623 1.00 4.02 H new ATOM 0 HD11 LEU A 96 8.089 -9.349 13.027 1.00 4.33 H new ATOM 0 HD12 LEU A 96 9.368 -10.543 12.699 1.00 4.33 H new ATOM 0 HD13 LEU A 96 9.800 -8.881 13.167 1.00 4.33 H new ATOM 0 HD21 LEU A 96 7.676 -7.515 11.523 1.00 4.65 H new ATOM 0 HD22 LEU A 96 9.377 -6.994 11.561 1.00 4.65 H new ATOM 0 HD23 LEU A 96 8.588 -7.345 10.004 1.00 4.65 H new ATOM 1505 N GLN A 97 12.885 -9.471 13.353 1.00 3.95 N ATOM 1506 CA GLN A 97 13.366 -10.259 14.497 1.00 4.87 C ATOM 1507 C GLN A 97 12.858 -9.718 15.844 1.00 5.75 C ATOM 1508 O GLN A 97 12.887 -10.439 16.838 1.00 6.68 O ATOM 1509 CB GLN A 97 14.906 -10.329 14.462 1.00 5.37 C ATOM 1510 CG GLN A 97 15.480 -11.194 13.328 1.00 4.92 C ATOM 1511 CD GLN A 97 15.127 -12.668 13.497 1.00 5.13 C ATOM 1512 OE1 GLN A 97 15.829 -13.433 14.150 1.00 5.99 O ATOM 1513 NE2 GLN A 97 14.003 -13.104 12.981 1.00 5.27 N ATOM 0 H GLN A 97 13.124 -8.483 13.444 1.00 3.95 H new ATOM 0 HA GLN A 97 12.958 -11.266 14.407 1.00 4.87 H new ATOM 0 HB2 GLN A 97 15.301 -9.318 14.366 1.00 5.37 H new ATOM 0 HB3 GLN A 97 15.261 -10.720 15.415 1.00 5.37 H new ATOM 0 HG2 GLN A 97 15.098 -10.837 12.371 1.00 4.92 H new ATOM 0 HG3 GLN A 97 16.564 -11.082 13.300 1.00 4.92 H new ATOM 0 HE21 GLN A 97 13.414 -12.474 12.437 1.00 5.27 H new ATOM 0 HE22 GLN A 97 13.718 -14.073 13.124 1.00 5.27 H new ATOM 1522 N THR A 98 12.315 -8.501 15.870 1.00 5.81 N ATOM 1523 CA THR A 98 11.608 -7.887 17.006 1.00 6.83 C ATOM 1524 C THR A 98 10.158 -7.634 16.566 1.00 7.05 C ATOM 1525 O THR A 98 9.841 -6.543 16.073 1.00 7.36 O ATOM 1526 CB THR A 98 12.346 -6.624 17.465 1.00 7.57 C ATOM 1527 OG1 THR A 98 13.707 -6.908 17.711 1.00 7.88 O ATOM 1528 CG2 THR A 98 11.757 -6.060 18.756 1.00 8.72 C ATOM 0 H THR A 98 12.356 -7.881 15.061 1.00 5.81 H new ATOM 0 HA THR A 98 11.588 -8.543 17.877 1.00 6.83 H new ATOM 0 HB THR A 98 12.238 -5.894 16.663 1.00 7.57 H new ATOM 0 HG1 THR A 98 14.164 -6.091 18.001 1.00 7.88 H new ATOM 0 HG21 THR A 98 12.308 -5.166 19.047 1.00 8.72 H new ATOM 0 HG22 THR A 98 10.709 -5.805 18.597 1.00 8.72 H new ATOM 0 HG23 THR A 98 11.833 -6.806 19.547 1.00 8.72 H new ATOM 1536 N PRO A 99 9.268 -8.647 16.681 1.00 7.34 N ATOM 1537 CA PRO A 99 7.877 -8.617 16.203 1.00 8.00 C ATOM 1538 C PRO A 99 6.958 -7.786 17.123 1.00 9.12 C ATOM 1539 O PRO A 99 5.867 -8.209 17.509 1.00 10.06 O ATOM 1540 CB PRO A 99 7.471 -10.095 16.096 1.00 8.36 C ATOM 1541 CG PRO A 99 8.229 -10.727 17.259 1.00 8.42 C ATOM 1542 CD PRO A 99 9.556 -9.977 17.213 1.00 7.53 C ATOM 0 HA PRO A 99 7.780 -8.115 15.240 1.00 8.00 H new ATOM 0 HB2 PRO A 99 6.394 -10.228 16.193 1.00 8.36 H new ATOM 0 HB3 PRO A 99 7.761 -10.528 15.139 1.00 8.36 H new ATOM 0 HG2 PRO A 99 7.712 -10.586 18.208 1.00 8.42 H new ATOM 0 HG3 PRO A 99 8.362 -11.801 17.125 1.00 8.42 H new ATOM 0 HD2 PRO A 99 9.997 -9.909 18.208 1.00 7.53 H new ATOM 0 HD3 PRO A 99 10.274 -10.499 16.581 1.00 7.53 H new ATOM 1550 N VAL A 100 7.444 -6.625 17.553 1.00 9.29 N ATOM 1551 CA VAL A 100 6.940 -5.841 18.683 1.00 10.44 C ATOM 1552 C VAL A 100 6.960 -4.362 18.296 1.00 11.13 C ATOM 1553 O VAL A 100 7.991 -3.839 17.867 1.00 11.27 O ATOM 1554 CB VAL A 100 7.804 -6.140 19.930 1.00 10.59 C ATOM 1555 CG1 VAL A 100 7.540 -5.143 21.067 1.00 11.52 C ATOM 1556 CG2 VAL A 100 7.515 -7.547 20.470 1.00 10.96 C ATOM 0 H VAL A 100 8.242 -6.180 17.100 1.00 9.29 H new ATOM 0 HA VAL A 100 5.912 -6.109 18.928 1.00 10.44 H new ATOM 0 HB VAL A 100 8.842 -6.056 19.607 1.00 10.59 H new ATOM 0 HG11 VAL A 100 8.169 -5.392 21.922 1.00 11.52 H new ATOM 0 HG12 VAL A 100 7.772 -4.134 20.727 1.00 11.52 H new ATOM 0 HG13 VAL A 100 6.491 -5.195 21.360 1.00 11.52 H new ATOM 0 HG21 VAL A 100 8.135 -7.734 21.347 1.00 10.96 H new ATOM 0 HG22 VAL A 100 6.463 -7.622 20.746 1.00 10.96 H new ATOM 0 HG23 VAL A 100 7.742 -8.286 19.701 1.00 10.96 H new ATOM 1566 N THR A 101 5.817 -3.687 18.430 1.00 11.85 N ATOM 1567 CA THR A 101 5.602 -2.291 17.991 1.00 12.75 C ATOM 1568 C THR A 101 4.867 -1.447 19.037 1.00 13.56 C ATOM 1569 O THR A 101 4.305 -1.978 19.998 1.00 14.11 O ATOM 1570 CB THR A 101 4.844 -2.248 16.650 1.00 13.11 C ATOM 1571 OG1 THR A 101 3.707 -3.081 16.655 1.00 13.10 O ATOM 1572 CG2 THR A 101 5.723 -2.674 15.478 1.00 13.08 C ATOM 0 H THR A 101 4.988 -4.100 18.857 1.00 11.85 H new ATOM 0 HA THR A 101 6.592 -1.854 17.860 1.00 12.75 H new ATOM 0 HB THR A 101 4.541 -1.208 16.528 1.00 13.11 H new ATOM 0 HG1 THR A 101 3.950 -3.969 16.318 1.00 13.10 H new ATOM 0 HG21 THR A 101 5.146 -2.628 14.555 1.00 13.08 H new ATOM 0 HG22 THR A 101 6.580 -2.005 15.404 1.00 13.08 H new ATOM 0 HG23 THR A 101 6.072 -3.694 15.637 1.00 13.08 H new ATOM 1580 N ASN A 102 4.854 -0.119 18.856 1.00 13.88 N ATOM 1581 CA ASN A 102 4.016 0.816 19.620 1.00 14.81 C ATOM 1582 C ASN A 102 2.553 0.697 19.136 1.00 15.16 C ATOM 1583 O ASN A 102 2.042 1.588 18.455 1.00 15.74 O ATOM 1584 CB ASN A 102 4.616 2.239 19.488 1.00 15.54 C ATOM 1585 CG ASN A 102 3.819 3.320 20.214 1.00 16.46 C ATOM 1586 OD1 ASN A 102 3.041 3.058 21.121 1.00 16.95 O ATOM 1587 ND2 ASN A 102 3.946 4.566 19.822 1.00 16.95 N ATOM 0 H ASN A 102 5.438 0.345 18.160 1.00 13.88 H new ATOM 0 HA ASN A 102 4.004 0.579 20.684 1.00 14.81 H new ATOM 0 HB2 ASN A 102 5.634 2.230 19.877 1.00 15.54 H new ATOM 0 HB3 ASN A 102 4.681 2.498 18.431 1.00 15.54 H new ATOM 0 HD21 ASN A 102 3.400 5.300 20.272 1.00 16.95 H new ATOM 0 HD22 ASN A 102 4.591 4.800 19.067 1.00 16.95 H new ATOM 1594 N ARG A 103 1.906 -0.446 19.402 1.00 15.08 N ATOM 1595 CA ARG A 103 0.607 -0.823 18.813 1.00 15.67 C ATOM 1596 C ARG A 103 -0.551 0.085 19.254 1.00 16.51 C ATOM 1597 O ARG A 103 -0.444 0.791 20.262 1.00 16.98 O ATOM 1598 CB ARG A 103 0.332 -2.310 19.102 1.00 15.78 C ATOM 1599 CG ARG A 103 -0.017 -2.602 20.571 1.00 16.20 C ATOM 1600 CD ARG A 103 -0.065 -4.111 20.822 1.00 16.44 C ATOM 1601 NE ARG A 103 -0.607 -4.411 22.155 1.00 17.03 N ATOM 1602 CZ ARG A 103 -1.155 -5.582 22.530 1.00 17.64 C ATOM 1603 NH1 ARG A 103 -1.248 -6.619 21.685 1.00 17.76 N ATOM 1604 NH2 ARG A 103 -1.621 -5.707 23.780 1.00 18.40 N ATOM 0 H ARG A 103 2.274 -1.149 20.043 1.00 15.08 H new ATOM 0 HA ARG A 103 0.671 -0.676 17.735 1.00 15.67 H new ATOM 0 HB2 ARG A 103 -0.489 -2.648 18.469 1.00 15.78 H new ATOM 0 HB3 ARG A 103 1.210 -2.893 18.824 1.00 15.78 H new ATOM 0 HG2 ARG A 103 0.724 -2.142 21.225 1.00 16.20 H new ATOM 0 HG3 ARG A 103 -0.980 -2.156 20.817 1.00 16.20 H new ATOM 0 HD2 ARG A 103 -0.680 -4.590 20.060 1.00 16.44 H new ATOM 0 HD3 ARG A 103 0.937 -4.529 20.731 1.00 16.44 H new ATOM 0 HE ARG A 103 -0.564 -3.670 22.854 1.00 17.03 H new ATOM 0 HH11 ARG A 103 -0.899 -6.532 20.731 1.00 17.76 H new ATOM 0 HH12 ARG A 103 -1.668 -7.495 21.997 1.00 17.76 H new ATOM 0 HH21 ARG A 103 -1.557 -4.923 24.429 1.00 18.40 H new ATOM 0 HH22 ARG A 103 -2.040 -6.587 24.083 1.00 18.40 H new ATOM 1618 N GLY A 104 -1.652 0.051 18.504 1.00 16.89 N ATOM 1619 CA GLY A 104 -2.851 0.863 18.742 1.00 17.89 C ATOM 1620 C GLY A 104 -2.936 2.111 17.851 1.00 18.07 C ATOM 1621 O GLY A 104 -2.449 2.109 16.714 1.00 18.20 O ATOM 0 H GLY A 104 -1.740 -0.558 17.691 1.00 16.89 H new ATOM 0 HA2 GLY A 104 -3.735 0.248 18.576 1.00 17.89 H new ATOM 0 HA3 GLY A 104 -2.869 1.171 19.787 1.00 17.89 H new ATOM 1625 N ILE A 105 -3.587 3.164 18.353 1.00 18.27 N ATOM 1626 CA ILE A 105 -3.874 4.397 17.602 1.00 18.64 C ATOM 1627 C ILE A 105 -2.616 5.254 17.326 1.00 18.79 C ATOM 1628 O ILE A 105 -1.744 5.323 18.200 1.00 18.48 O ATOM 1629 CB ILE A 105 -4.998 5.243 18.249 1.00 18.86 C ATOM 1630 CG1 ILE A 105 -4.610 6.036 19.520 1.00 18.58 C ATOM 1631 CG2 ILE A 105 -6.271 4.411 18.474 1.00 19.18 C ATOM 1632 CD1 ILE A 105 -4.173 5.221 20.742 1.00 17.96 C ATOM 0 H ILE A 105 -3.937 3.187 19.311 1.00 18.27 H new ATOM 0 HA ILE A 105 -4.239 4.057 16.633 1.00 18.64 H new ATOM 0 HB ILE A 105 -5.198 6.017 17.509 1.00 18.86 H new ATOM 0 HG12 ILE A 105 -3.800 6.717 19.260 1.00 18.58 H new ATOM 0 HG13 ILE A 105 -5.463 6.650 19.810 1.00 18.58 H new ATOM 0 HG21 ILE A 105 -7.039 5.037 18.929 1.00 19.18 H new ATOM 0 HG22 ILE A 105 -6.632 4.032 17.518 1.00 19.18 H new ATOM 0 HG23 ILE A 105 -6.046 3.574 19.135 1.00 19.18 H new ATOM 0 HD11 ILE A 105 -3.929 5.897 21.562 1.00 17.96 H new ATOM 0 HD12 ILE A 105 -4.983 4.559 21.046 1.00 17.96 H new ATOM 0 HD13 ILE A 105 -3.295 4.627 20.488 1.00 17.96 H new ATOM 1644 N PRO A 106 -2.508 5.933 16.160 1.00 19.50 N ATOM 1645 CA PRO A 106 -1.332 6.717 15.748 1.00 19.94 C ATOM 1646 C PRO A 106 -0.838 7.758 16.760 1.00 19.73 C ATOM 1647 O PRO A 106 -1.570 8.733 17.044 1.00 20.34 O ATOM 1648 CB PRO A 106 -1.721 7.361 14.411 1.00 21.14 C ATOM 1649 CG PRO A 106 -2.707 6.361 13.822 1.00 21.04 C ATOM 1650 CD PRO A 106 -3.466 5.892 15.057 1.00 20.23 C ATOM 1651 OXT PRO A 106 0.260 7.633 17.298 1.00 19.17 O ATOM 0 HA PRO A 106 -0.473 6.051 15.668 1.00 19.94 H new ATOM 0 HB2 PRO A 106 -2.177 8.341 14.553 1.00 21.14 H new ATOM 0 HB3 PRO A 106 -0.855 7.502 13.764 1.00 21.14 H new ATOM 0 HG2 PRO A 106 -3.368 6.824 13.089 1.00 21.04 H new ATOM 0 HG3 PRO A 106 -2.200 5.538 13.319 1.00 21.04 H new ATOM 0 HD2 PRO A 106 -4.320 6.538 15.258 1.00 20.23 H new ATOM 0 HD3 PRO A 106 -3.855 4.884 14.916 1.00 20.23 H new TER 1659 PRO A 106 HETATM 1660 FE HEC A 107 -3.889 -0.115 2.744 1.00 0.86 FE HETATM 1661 CHA HEC A 107 -4.458 -3.014 0.929 1.00 0.91 C HETATM 1662 CHB HEC A 107 -0.547 -0.189 1.754 1.00 1.04 C HETATM 1663 CHC HEC A 107 -3.395 2.987 4.221 1.00 0.98 C HETATM 1664 CHD HEC A 107 -7.127 -0.217 3.991 1.00 0.87 C HETATM 1665 NA HEC A 107 -2.714 -1.371 1.539 1.00 0.89 N HETATM 1666 C1A HEC A 107 -3.163 -2.498 0.917 1.00 0.91 C HETATM 1667 C2A HEC A 107 -2.023 -3.148 0.306 1.00 1.01 C HETATM 1668 C3A HEC A 107 -0.922 -2.365 0.571 1.00 1.04 C HETATM 1669 C4A HEC A 107 -1.375 -1.222 1.327 1.00 0.97 C HETATM 1670 CMA HEC A 107 0.513 -2.693 0.211 1.00 1.22 C HETATM 1671 CAA HEC A 107 -1.965 -4.575 -0.205 1.00 1.20 C HETATM 1672 CBA HEC A 107 -1.440 -4.774 -1.632 1.00 2.12 C HETATM 1673 CGA HEC A 107 -0.767 -6.125 -1.767 1.00 2.24 C HETATM 1674 O1A HEC A 107 -1.348 -7.109 -1.257 1.00 2.09 O HETATM 1675 O2A HEC A 107 0.321 -6.155 -2.371 1.00 3.61 O HETATM 1676 NB HEC A 107 -2.270 1.172 2.935 1.00 0.96 N HETATM 1677 C1B HEC A 107 -1.006 0.919 2.476 1.00 1.03 C HETATM 1678 C2B HEC A 107 -0.166 2.019 2.888 1.00 1.16 C HETATM 1679 C3B HEC A 107 -0.976 2.943 3.522 1.00 1.08 C HETATM 1680 C4B HEC A 107 -2.305 2.378 3.587 1.00 1.00 C HETATM 1681 CMB HEC A 107 1.329 2.129 2.656 1.00 1.39 C HETATM 1682 CAB HEC A 107 -0.563 4.318 4.017 1.00 1.08 C HETATM 1683 CBB HEC A 107 -0.270 5.251 2.839 1.00 1.37 C HETATM 1684 NC HEC A 107 -5.063 1.175 3.884 1.00 0.86 N HETATM 1685 C1C HEC A 107 -4.643 2.379 4.363 1.00 0.91 C HETATM 1686 C2C HEC A 107 -5.734 2.951 5.111 1.00 0.93 C HETATM 1687 C3C HEC A 107 -6.759 2.027 5.112 1.00 0.89 C HETATM 1688 C4C HEC A 107 -6.345 0.916 4.280 1.00 0.85 C HETATM 1689 CMC HEC A 107 -5.692 4.282 5.836 1.00 1.03 C HETATM 1690 CAC HEC A 107 -7.990 2.059 5.994 1.00 0.90 C HETATM 1691 CBC HEC A 107 -9.038 3.055 5.500 1.00 1.11 C HETATM 1692 ND HEC A 107 -5.511 -1.379 2.488 1.00 0.84 N HETATM 1693 C1D HEC A 107 -6.705 -1.253 3.141 1.00 0.87 C HETATM 1694 C2D HEC A 107 -7.489 -2.417 2.808 1.00 0.95 C HETATM 1695 C3D HEC A 107 -6.755 -3.170 1.919 1.00 0.95 C HETATM 1696 C4D HEC A 107 -5.497 -2.498 1.713 1.00 0.88 C HETATM 1697 CMD HEC A 107 -8.861 -2.770 3.333 1.00 1.09 C HETATM 1698 CAD HEC A 107 -7.116 -4.536 1.386 1.00 1.22 C HETATM 1699 CBD HEC A 107 -6.501 -5.705 2.179 1.00 3.36 C HETATM 1700 CGD HEC A 107 -4.980 -5.712 2.275 1.00 5.04 C HETATM 1701 O1D HEC A 107 -4.436 -5.012 3.155 1.00 5.80 O HETATM 1702 O2D HEC A 107 -4.354 -6.410 1.449 1.00 6.14 O HETATM 0 HMD3 HEC A 107 -8.821 -2.870 4.418 1.00 1.09 H new HETATM 0 HMD2 HEC A 107 -9.566 -1.982 3.067 1.00 1.09 H new HETATM 0 HMD1 HEC A 107 -9.187 -3.712 2.893 1.00 1.09 H new HETATM 0 HMC3 HEC A 107 -4.907 4.260 6.592 1.00 1.03 H new HETATM 0 HMC2 HEC A 107 -5.486 5.079 5.122 1.00 1.03 H new HETATM 0 HMC1 HEC A 107 -6.653 4.465 6.316 1.00 1.03 H new HETATM 0 HMB3 HEC A 107 1.835 1.294 3.140 1.00 1.39 H new HETATM 0 HMB2 HEC A 107 1.534 2.106 1.586 1.00 1.39 H new HETATM 0 HMB1 HEC A 107 1.694 3.067 3.075 1.00 1.39 H new HETATM 0 HMA3 HEC A 107 0.806 -3.624 0.697 1.00 1.22 H new HETATM 0 HMA2 HEC A 107 0.601 -2.804 -0.870 1.00 1.22 H new HETATM 0 HMA1 HEC A 107 1.166 -1.887 0.547 1.00 1.22 H new HETATM 0 HBD2 HEC A 107 -6.910 -5.689 3.189 1.00 3.36 H new HETATM 0 HBD1 HEC A 107 -6.822 -6.640 1.720 1.00 3.36 H new HETATM 0 HBC3 HEC A 107 -8.609 4.057 5.486 1.00 1.11 H new HETATM 0 HBC2 HEC A 107 -9.354 2.781 4.493 1.00 1.11 H new HETATM 0 HBC1 HEC A 107 -9.899 3.038 6.168 1.00 1.11 H new HETATM 0 HBB3 HEC A 107 0.539 4.835 2.238 1.00 1.37 H new HETATM 0 HBB2 HEC A 107 -1.164 5.352 2.224 1.00 1.37 H new HETATM 0 HBB1 HEC A 107 0.024 6.231 3.215 1.00 1.37 H new HETATM 0 HBA2 HEC A 107 -2.263 -4.699 -2.342 1.00 2.12 H new HETATM 0 HBA1 HEC A 107 -0.732 -3.982 -1.879 1.00 2.12 H new HETATM 0 HAD2 HEC A 107 -8.201 -4.640 1.389 1.00 1.22 H new HETATM 0 HAD1 HEC A 107 -6.792 -4.606 0.347 1.00 1.22 H new HETATM 0 HAA2 HEC A 107 -1.337 -5.154 0.472 1.00 1.20 H new HETATM 0 HAA1 HEC A 107 -2.968 -4.998 -0.149 1.00 1.20 H new HETATM 0 HHD HEC A 107 -8.112 -0.295 4.451 1.00 0.87 H new HETATM 0 HHC HEC A 107 -3.261 3.990 4.625 1.00 0.98 H new HETATM 0 HHB HEC A 107 0.515 -0.245 1.514 1.00 1.04 H new HETATM 0 HHA HEC A 107 -4.675 -3.870 0.290 1.00 0.91 H new HETATM 0 H2D HEC A 107 -3.391 -6.316 1.604 1.00 6.14 H new