USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 731 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 58 ASN :FLIP amide:sc= 1.01 F(o=1.1,f=2) USER MOD Set 1.2: A 60 SER OG : rot -100:sc= 0.96 USER MOD Set 2.1: A 46 HIS : no HE2:sc= -2.06 K(o=-0.93,f=-5.6!) USER MOD Set 2.2: A 51 SER OG : rot -97:sc= 1.13 USER MOD Set 3.1: A 11 THR OG1 : rot 180:sc= 0.0112 USER MOD Set 3.2: A 12 GLN : amide:sc= -2.94! X(o=-2.9!,f=-2.8) USER MOD Single : A 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0627) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.116 K(o=-0.12,f=-0.81) USER MOD Single : A 32 GLN : amide:sc= 1.36 K(o=1.4,f=-8.8!) USER MOD Single : A 39 HIS : no HD1:sc= -0.117 X(o=-0.12,f=-0.11) USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 49 GLN : amide:sc= -2.17! X(o=-2.2!,f=-1.7) USER MOD Single : A 55 HIS : no HE2:sc= -0.085 K(o=-0.085,f=-3.4!) USER MOD Single : A 57 GLN : amide:sc= -0.224 X(o=-0.22,f=-0.11) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN :FLIP amide:sc= 0 F(o=-0.79,f=0) USER MOD Single : A 67 HIS : no HE2:sc= 1 K(o=1,f=-6.4!) USER MOD Single : A 68 GLN :FLIP amide:sc= -1.04 F(o=-2.3!,f=-1) USER MOD Single : A 71 LYS NZ :NH3+ -118:sc= 0.333 (180deg=0) USER MOD Single : A 73 HIS : no HD1:sc= -0.113 X(o=-0.11,f=-0.59) USER MOD Single : A 75 THR OG1 : rot 180:sc= -1.65! USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 83 MET CE :methyl -167:sc= -0.0632 (180deg=-0.34) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 MET CE :methyl -119:sc= -0.296 (180deg=-2.43!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 15.264 -12.166 7.875 1.00 0.00 N ATOM 2 CA PHE A 1 15.021 -10.903 7.148 1.00 0.00 C ATOM 3 C PHE A 1 13.546 -10.767 6.812 1.00 0.00 C ATOM 4 O PHE A 1 12.974 -11.603 6.112 1.00 0.00 O ATOM 5 CB PHE A 1 15.850 -10.863 5.864 1.00 0.00 C ATOM 6 CG PHE A 1 15.923 -9.504 5.227 1.00 0.00 C ATOM 7 CD1 PHE A 1 16.917 -8.611 5.594 1.00 0.00 C ATOM 8 CD2 PHE A 1 15.005 -9.124 4.261 1.00 0.00 C ATOM 9 CE1 PHE A 1 16.994 -7.360 5.011 1.00 0.00 C ATOM 10 CE2 PHE A 1 15.076 -7.874 3.674 1.00 0.00 C ATOM 11 CZ PHE A 1 16.073 -6.991 4.049 1.00 0.00 C ATOM 0 H1 PHE A 1 16.276 -12.248 8.100 1.00 0.00 H new ATOM 0 H2 PHE A 1 14.712 -12.171 8.757 1.00 0.00 H new ATOM 0 H3 PHE A 1 14.975 -12.969 7.281 1.00 0.00 H new ATOM 0 HA PHE A 1 15.318 -10.072 7.788 1.00 0.00 H new ATOM 0 HB2 PHE A 1 16.861 -11.204 6.086 1.00 0.00 H new ATOM 0 HB3 PHE A 1 15.426 -11.567 5.148 1.00 0.00 H new ATOM 0 HD1 PHE A 1 17.640 -8.896 6.344 1.00 0.00 H new ATOM 0 HD2 PHE A 1 14.226 -9.811 3.964 1.00 0.00 H new ATOM 0 HE1 PHE A 1 17.772 -6.672 5.307 1.00 0.00 H new ATOM 0 HE2 PHE A 1 14.354 -7.587 2.924 1.00 0.00 H new ATOM 0 HZ PHE A 1 16.131 -6.015 3.591 1.00 0.00 H new ATOM 23 N LEU A 2 12.936 -9.716 7.327 1.00 0.00 N ATOM 24 CA LEU A 2 11.546 -9.417 7.047 1.00 0.00 C ATOM 25 C LEU A 2 11.356 -7.914 7.073 1.00 0.00 C ATOM 26 O LEU A 2 12.045 -7.221 7.821 1.00 0.00 O ATOM 27 CB LEU A 2 10.616 -10.113 8.061 1.00 0.00 C ATOM 28 CG LEU A 2 10.760 -9.679 9.528 1.00 0.00 C ATOM 29 CD1 LEU A 2 9.896 -8.462 9.829 1.00 0.00 C ATOM 30 CD2 LEU A 2 10.398 -10.823 10.463 1.00 0.00 C ATOM 0 H LEU A 2 13.390 -9.047 7.950 1.00 0.00 H new ATOM 0 HA LEU A 2 11.284 -9.797 6.060 1.00 0.00 H new ATOM 0 HB2 LEU A 2 9.585 -9.941 7.753 1.00 0.00 H new ATOM 0 HB3 LEU A 2 10.791 -11.187 8.004 1.00 0.00 H new ATOM 0 HG LEU A 2 11.802 -9.406 9.693 1.00 0.00 H new ATOM 0 HD11 LEU A 2 10.019 -8.178 10.874 1.00 0.00 H new ATOM 0 HD12 LEU A 2 10.200 -7.633 9.190 1.00 0.00 H new ATOM 0 HD13 LEU A 2 8.850 -8.702 9.639 1.00 0.00 H new ATOM 0 HD21 LEU A 2 10.506 -10.496 11.497 1.00 0.00 H new ATOM 0 HD22 LEU A 2 9.366 -11.126 10.284 1.00 0.00 H new ATOM 0 HD23 LEU A 2 11.062 -11.668 10.278 1.00 0.00 H new ATOM 42 N LEU A 3 10.472 -7.409 6.231 1.00 0.00 N ATOM 43 CA LEU A 3 10.161 -5.986 6.231 1.00 0.00 C ATOM 44 C LEU A 3 9.266 -5.643 7.419 1.00 0.00 C ATOM 45 O LEU A 3 8.107 -6.060 7.476 1.00 0.00 O ATOM 46 CB LEU A 3 9.490 -5.563 4.914 1.00 0.00 C ATOM 47 CG LEU A 3 10.439 -5.305 3.733 1.00 0.00 C ATOM 48 CD1 LEU A 3 11.435 -4.211 4.079 1.00 0.00 C ATOM 49 CD2 LEU A 3 11.165 -6.577 3.320 1.00 0.00 C ATOM 0 H LEU A 3 9.958 -7.957 5.541 1.00 0.00 H new ATOM 0 HA LEU A 3 11.097 -5.434 6.322 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.781 -6.339 4.624 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.913 -4.656 5.097 1.00 0.00 H new ATOM 0 HG LEU A 3 9.837 -4.974 2.887 1.00 0.00 H new ATOM 0 HD11 LEU A 3 12.099 -4.042 3.231 1.00 0.00 H new ATOM 0 HD12 LEU A 3 10.899 -3.290 4.309 1.00 0.00 H new ATOM 0 HD13 LEU A 3 12.023 -4.515 4.945 1.00 0.00 H new ATOM 0 HD21 LEU A 3 11.829 -6.362 2.483 1.00 0.00 H new ATOM 0 HD22 LEU A 3 11.750 -6.951 4.160 1.00 0.00 H new ATOM 0 HD23 LEU A 3 10.437 -7.331 3.021 1.00 0.00 H new ATOM 61 N PRO A 4 9.812 -4.902 8.396 1.00 0.00 N ATOM 62 CA PRO A 4 9.090 -4.534 9.616 1.00 0.00 C ATOM 63 C PRO A 4 7.892 -3.625 9.334 1.00 0.00 C ATOM 64 O PRO A 4 7.976 -2.711 8.513 1.00 0.00 O ATOM 65 CB PRO A 4 10.136 -3.790 10.459 1.00 0.00 C ATOM 66 CG PRO A 4 11.453 -4.125 9.845 1.00 0.00 C ATOM 67 CD PRO A 4 11.183 -4.370 8.391 1.00 0.00 C ATOM 0 HA PRO A 4 8.675 -5.411 10.113 1.00 0.00 H new ATOM 0 HB2 PRO A 4 9.959 -2.715 10.445 1.00 0.00 H new ATOM 0 HB3 PRO A 4 10.097 -4.106 11.501 1.00 0.00 H new ATOM 0 HG2 PRO A 4 12.164 -3.309 9.977 1.00 0.00 H new ATOM 0 HG3 PRO A 4 11.889 -5.007 10.315 1.00 0.00 H new ATOM 0 HD2 PRO A 4 11.258 -3.453 7.806 1.00 0.00 H new ATOM 0 HD3 PRO A 4 11.890 -5.080 7.963 1.00 0.00 H new ATOM 75 N PRO A 5 6.762 -3.872 10.019 1.00 0.00 N ATOM 76 CA PRO A 5 5.534 -3.079 9.861 1.00 0.00 C ATOM 77 C PRO A 5 5.768 -1.587 10.079 1.00 0.00 C ATOM 78 O PRO A 5 6.259 -1.177 11.135 1.00 0.00 O ATOM 79 CB PRO A 5 4.608 -3.634 10.946 1.00 0.00 C ATOM 80 CG PRO A 5 5.104 -5.014 11.199 1.00 0.00 C ATOM 81 CD PRO A 5 6.592 -4.956 11.003 1.00 0.00 C ATOM 0 HA PRO A 5 5.130 -3.159 8.852 1.00 0.00 H new ATOM 0 HB2 PRO A 5 4.649 -3.027 11.850 1.00 0.00 H new ATOM 0 HB3 PRO A 5 3.570 -3.641 10.614 1.00 0.00 H new ATOM 0 HG2 PRO A 5 4.855 -5.340 12.209 1.00 0.00 H new ATOM 0 HG3 PRO A 5 4.647 -5.726 10.512 1.00 0.00 H new ATOM 0 HD2 PRO A 5 7.112 -4.738 11.936 1.00 0.00 H new ATOM 0 HD3 PRO A 5 6.986 -5.902 10.632 1.00 0.00 H new ATOM 89 N SER A 6 5.444 -0.792 9.056 1.00 0.00 N ATOM 90 CA SER A 6 5.573 0.666 9.105 1.00 0.00 C ATOM 91 C SER A 6 7.040 1.090 9.115 1.00 0.00 C ATOM 92 O SER A 6 7.362 2.274 9.227 1.00 0.00 O ATOM 93 CB SER A 6 4.839 1.227 10.324 1.00 0.00 C ATOM 94 OG SER A 6 3.505 0.746 10.371 1.00 0.00 O ATOM 0 H SER A 6 5.084 -1.143 8.168 1.00 0.00 H new ATOM 0 HA SER A 6 5.114 1.076 8.205 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.366 0.942 11.235 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.837 2.316 10.284 1.00 0.00 H new ATOM 0 HG SER A 6 3.052 1.114 11.158 1.00 0.00 H new ATOM 100 N THR A 7 7.922 0.111 8.990 1.00 0.00 N ATOM 101 CA THR A 7 9.349 0.353 8.922 1.00 0.00 C ATOM 102 C THR A 7 9.879 -0.240 7.624 1.00 0.00 C ATOM 103 O THR A 7 10.997 -0.755 7.546 1.00 0.00 O ATOM 104 CB THR A 7 10.065 -0.274 10.135 1.00 0.00 C ATOM 105 OG1 THR A 7 9.269 -0.070 11.310 1.00 0.00 O ATOM 106 CG2 THR A 7 11.438 0.346 10.344 1.00 0.00 C ATOM 0 H THR A 7 7.665 -0.874 8.933 1.00 0.00 H new ATOM 0 HA THR A 7 9.541 1.426 8.943 1.00 0.00 H new ATOM 0 HB THR A 7 10.195 -1.339 9.945 1.00 0.00 H new ATOM 0 HG1 THR A 7 9.720 -0.469 12.084 1.00 0.00 H new ATOM 0 HG21 THR A 7 11.919 -0.116 11.206 1.00 0.00 H new ATOM 0 HG22 THR A 7 12.050 0.183 9.457 1.00 0.00 H new ATOM 0 HG23 THR A 7 11.331 1.417 10.519 1.00 0.00 H new ATOM 114 N ALA A 8 9.047 -0.142 6.604 1.00 0.00 N ATOM 115 CA ALA A 8 9.345 -0.687 5.302 1.00 0.00 C ATOM 116 C ALA A 8 10.403 0.155 4.632 1.00 0.00 C ATOM 117 O ALA A 8 10.216 1.348 4.412 1.00 0.00 O ATOM 118 CB ALA A 8 8.089 -0.752 4.447 1.00 0.00 C ATOM 0 H ALA A 8 8.140 0.322 6.661 1.00 0.00 H new ATOM 0 HA ALA A 8 9.722 -1.703 5.420 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.335 -1.166 3.469 1.00 0.00 H new ATOM 0 HB2 ALA A 8 7.350 -1.388 4.934 1.00 0.00 H new ATOM 0 HB3 ALA A 8 7.680 0.251 4.324 1.00 0.00 H new ATOM 124 N CYS A 9 11.520 -0.466 4.346 1.00 0.00 N ATOM 125 CA CYS A 9 12.623 0.207 3.717 1.00 0.00 C ATOM 126 C CYS A 9 13.093 -0.639 2.546 1.00 0.00 C ATOM 127 O CYS A 9 14.099 -1.344 2.609 1.00 0.00 O ATOM 128 CB CYS A 9 13.729 0.442 4.737 1.00 0.00 C ATOM 129 SG CYS A 9 15.090 1.494 4.150 1.00 0.00 S ATOM 0 H CYS A 9 11.688 -1.452 4.544 1.00 0.00 H new ATOM 0 HA CYS A 9 12.322 1.184 3.339 1.00 0.00 H new ATOM 0 HB2 CYS A 9 13.294 0.897 5.627 1.00 0.00 H new ATOM 0 HB3 CYS A 9 14.137 -0.522 5.039 1.00 0.00 H new ATOM 134 N CYS A 10 12.299 -0.596 1.498 1.00 0.00 N ATOM 135 CA CYS A 10 12.469 -1.451 0.350 1.00 0.00 C ATOM 136 C CYS A 10 13.403 -0.834 -0.673 1.00 0.00 C ATOM 137 O CYS A 10 13.176 0.275 -1.156 1.00 0.00 O ATOM 138 CB CYS A 10 11.112 -1.712 -0.301 1.00 0.00 C ATOM 139 SG CYS A 10 9.878 -2.450 0.817 1.00 0.00 S ATOM 0 H CYS A 10 11.508 0.043 1.421 1.00 0.00 H new ATOM 0 HA CYS A 10 12.910 -2.387 0.694 1.00 0.00 H new ATOM 0 HB2 CYS A 10 10.720 -0.771 -0.687 1.00 0.00 H new ATOM 0 HB3 CYS A 10 11.253 -2.373 -1.156 1.00 0.00 H new ATOM 144 N THR A 11 14.450 -1.565 -0.999 1.00 0.00 N ATOM 145 CA THR A 11 15.305 -1.220 -2.114 1.00 0.00 C ATOM 146 C THR A 11 14.912 -2.075 -3.314 1.00 0.00 C ATOM 147 O THR A 11 15.601 -2.123 -4.331 1.00 0.00 O ATOM 148 CB THR A 11 16.785 -1.444 -1.752 1.00 0.00 C ATOM 149 OG1 THR A 11 16.941 -2.724 -1.114 1.00 0.00 O ATOM 150 CG2 THR A 11 17.285 -0.343 -0.823 1.00 0.00 C ATOM 0 H THR A 11 14.730 -2.410 -0.501 1.00 0.00 H new ATOM 0 HA THR A 11 15.180 -0.165 -2.358 1.00 0.00 H new ATOM 0 HB THR A 11 17.374 -1.419 -2.669 1.00 0.00 H new ATOM 0 HG1 THR A 11 17.884 -2.863 -0.887 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.333 -0.520 -0.580 1.00 0.00 H new ATOM 0 HG22 THR A 11 17.186 0.623 -1.318 1.00 0.00 H new ATOM 0 HG23 THR A 11 16.694 -0.344 0.093 1.00 0.00 H new ATOM 158 N GLN A 12 13.778 -2.751 -3.164 1.00 0.00 N ATOM 159 CA GLN A 12 13.251 -3.638 -4.185 1.00 0.00 C ATOM 160 C GLN A 12 11.870 -3.154 -4.602 1.00 0.00 C ATOM 161 O GLN A 12 11.001 -2.950 -3.755 1.00 0.00 O ATOM 162 CB GLN A 12 13.137 -5.084 -3.668 1.00 0.00 C ATOM 163 CG GLN A 12 13.993 -5.404 -2.445 1.00 0.00 C ATOM 164 CD GLN A 12 13.430 -4.829 -1.154 1.00 0.00 C ATOM 165 OE1 GLN A 12 14.174 -4.488 -0.236 1.00 0.00 O ATOM 166 NE2 GLN A 12 12.112 -4.712 -1.076 1.00 0.00 N ATOM 0 H GLN A 12 13.199 -2.696 -2.326 1.00 0.00 H new ATOM 0 HA GLN A 12 13.936 -3.627 -5.033 1.00 0.00 H new ATOM 0 HB2 GLN A 12 12.094 -5.285 -3.425 1.00 0.00 H new ATOM 0 HB3 GLN A 12 13.413 -5.764 -4.474 1.00 0.00 H new ATOM 0 HG2 GLN A 12 14.083 -6.486 -2.345 1.00 0.00 H new ATOM 0 HG3 GLN A 12 14.999 -5.014 -2.601 1.00 0.00 H new ATOM 0 HE21 GLN A 12 11.527 -5.006 -1.858 1.00 0.00 H new ATOM 0 HE22 GLN A 12 11.683 -4.328 -0.234 1.00 0.00 H new ATOM 175 N LEU A 13 11.671 -2.958 -5.891 1.00 0.00 N ATOM 176 CA LEU A 13 10.385 -2.514 -6.395 1.00 0.00 C ATOM 177 C LEU A 13 9.715 -3.617 -7.207 1.00 0.00 C ATOM 178 O LEU A 13 10.171 -3.966 -8.297 1.00 0.00 O ATOM 179 CB LEU A 13 10.565 -1.258 -7.245 1.00 0.00 C ATOM 180 CG LEU A 13 11.153 -0.051 -6.501 1.00 0.00 C ATOM 181 CD1 LEU A 13 11.463 1.080 -7.470 1.00 0.00 C ATOM 182 CD2 LEU A 13 10.195 0.423 -5.418 1.00 0.00 C ATOM 0 H LEU A 13 12.382 -3.099 -6.608 1.00 0.00 H new ATOM 0 HA LEU A 13 9.740 -2.278 -5.548 1.00 0.00 H new ATOM 0 HB2 LEU A 13 11.213 -1.498 -8.088 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.597 -0.975 -7.658 1.00 0.00 H new ATOM 0 HG LEU A 13 12.085 -0.361 -6.029 1.00 0.00 H new ATOM 0 HD11 LEU A 13 11.879 1.925 -6.922 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.186 0.737 -8.210 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.547 1.389 -7.973 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.627 1.279 -4.900 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.248 0.713 -5.872 1.00 0.00 H new ATOM 0 HD23 LEU A 13 10.024 -0.384 -4.705 1.00 0.00 H new ATOM 194 N TYR A 14 8.634 -4.162 -6.662 1.00 0.00 N ATOM 195 CA TYR A 14 7.904 -5.249 -7.305 1.00 0.00 C ATOM 196 C TYR A 14 7.266 -4.758 -8.603 1.00 0.00 C ATOM 197 O TYR A 14 7.461 -5.358 -9.662 1.00 0.00 O ATOM 198 CB TYR A 14 6.841 -5.796 -6.345 1.00 0.00 C ATOM 199 CG TYR A 14 6.214 -7.098 -6.785 1.00 0.00 C ATOM 200 CD1 TYR A 14 6.991 -8.232 -6.987 1.00 0.00 C ATOM 201 CD2 TYR A 14 4.844 -7.200 -6.977 1.00 0.00 C ATOM 202 CE1 TYR A 14 6.418 -9.428 -7.370 1.00 0.00 C ATOM 203 CE2 TYR A 14 4.264 -8.394 -7.362 1.00 0.00 C ATOM 204 CZ TYR A 14 5.055 -9.504 -7.556 1.00 0.00 C ATOM 205 OH TYR A 14 4.480 -10.694 -7.938 1.00 0.00 O ATOM 0 H TYR A 14 8.241 -3.866 -5.769 1.00 0.00 H new ATOM 0 HA TYR A 14 8.596 -6.054 -7.551 1.00 0.00 H new ATOM 0 HB2 TYR A 14 7.294 -5.938 -5.364 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.055 -5.049 -6.229 1.00 0.00 H new ATOM 0 HD1 TYR A 14 8.060 -8.177 -6.842 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.220 -6.332 -6.823 1.00 0.00 H new ATOM 0 HE1 TYR A 14 7.036 -10.301 -7.523 1.00 0.00 H new ATOM 0 HE2 TYR A 14 3.196 -8.456 -7.510 1.00 0.00 H new ATOM 0 HH TYR A 14 3.511 -10.576 -8.024 1.00 0.00 H new ATOM 215 N ARG A 15 6.488 -3.676 -8.496 1.00 0.00 N ATOM 216 CA ARG A 15 5.941 -2.951 -9.658 1.00 0.00 C ATOM 217 C ARG A 15 4.830 -3.721 -10.380 1.00 0.00 C ATOM 218 O ARG A 15 4.111 -3.151 -11.201 1.00 0.00 O ATOM 219 CB ARG A 15 7.060 -2.587 -10.638 1.00 0.00 C ATOM 220 CG ARG A 15 8.078 -1.622 -10.054 1.00 0.00 C ATOM 221 CD ARG A 15 9.366 -1.600 -10.859 1.00 0.00 C ATOM 222 NE ARG A 15 9.189 -1.056 -12.204 1.00 0.00 N ATOM 223 CZ ARG A 15 10.199 -0.650 -12.972 1.00 0.00 C ATOM 224 NH1 ARG A 15 11.448 -0.725 -12.522 1.00 0.00 N ATOM 225 NH2 ARG A 15 9.963 -0.172 -14.186 1.00 0.00 N ATOM 0 H ARG A 15 6.216 -3.273 -7.599 1.00 0.00 H new ATOM 0 HA ARG A 15 5.487 -2.040 -9.269 1.00 0.00 H new ATOM 0 HB2 ARG A 15 7.570 -3.498 -10.951 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.621 -2.144 -11.532 1.00 0.00 H new ATOM 0 HG2 ARG A 15 7.652 -0.619 -10.024 1.00 0.00 H new ATOM 0 HG3 ARG A 15 8.298 -1.906 -9.025 1.00 0.00 H new ATOM 0 HD2 ARG A 15 10.110 -1.006 -10.328 1.00 0.00 H new ATOM 0 HD3 ARG A 15 9.760 -2.614 -10.932 1.00 0.00 H new ATOM 0 HE ARG A 15 8.241 -0.983 -12.574 1.00 0.00 H new ATOM 0 HH11 ARG A 15 11.633 -1.093 -11.589 1.00 0.00 H new ATOM 0 HH12 ARG A 15 12.221 -0.414 -13.110 1.00 0.00 H new ATOM 0 HH21 ARG A 15 9.006 -0.114 -14.534 1.00 0.00 H new ATOM 0 HH22 ARG A 15 10.738 0.138 -14.772 1.00 0.00 H new ATOM 239 N LYS A 16 4.684 -5.002 -10.077 1.00 0.00 N ATOM 240 CA LYS A 16 3.643 -5.812 -10.699 1.00 0.00 C ATOM 241 C LYS A 16 2.271 -5.430 -10.154 1.00 0.00 C ATOM 242 O LYS A 16 2.143 -5.054 -8.985 1.00 0.00 O ATOM 243 CB LYS A 16 3.887 -7.305 -10.455 1.00 0.00 C ATOM 244 CG LYS A 16 5.142 -7.858 -11.109 1.00 0.00 C ATOM 245 CD LYS A 16 5.099 -7.716 -12.620 1.00 0.00 C ATOM 246 CE LYS A 16 6.201 -8.526 -13.287 1.00 0.00 C ATOM 247 NZ LYS A 16 7.557 -8.147 -12.805 1.00 0.00 N ATOM 0 H LYS A 16 5.269 -5.503 -9.408 1.00 0.00 H new ATOM 0 HA LYS A 16 3.673 -5.621 -11.772 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.947 -7.479 -9.381 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.026 -7.865 -10.821 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.016 -7.335 -10.719 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.256 -8.910 -10.846 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.128 -8.046 -12.990 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.203 -6.665 -12.891 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.034 -9.586 -13.097 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.150 -8.384 -14.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.277 -8.640 -13.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.685 -7.119 -12.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.658 -8.417 -11.806 1.00 0.00 H new ATOM 261 N PRO A 17 1.235 -5.498 -10.998 1.00 0.00 N ATOM 262 CA PRO A 17 -0.143 -5.260 -10.574 1.00 0.00 C ATOM 263 C PRO A 17 -0.613 -6.337 -9.605 1.00 0.00 C ATOM 264 O PRO A 17 -0.717 -7.510 -9.969 1.00 0.00 O ATOM 265 CB PRO A 17 -0.952 -5.319 -11.879 1.00 0.00 C ATOM 266 CG PRO A 17 0.054 -5.214 -12.974 1.00 0.00 C ATOM 267 CD PRO A 17 1.319 -5.809 -12.430 1.00 0.00 C ATOM 0 HA PRO A 17 -0.256 -4.312 -10.049 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -1.515 -6.250 -11.951 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -1.675 -4.505 -11.930 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.279 -5.750 -13.863 1.00 0.00 H new ATOM 0 HG3 PRO A 17 0.206 -4.175 -13.267 1.00 0.00 H new ATOM 0 HD2 PRO A 17 1.370 -6.883 -12.608 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.204 -5.367 -12.889 1.00 0.00 H new ATOM 275 N LEU A 18 -0.865 -5.941 -8.368 1.00 0.00 N ATOM 276 CA LEU A 18 -1.284 -6.881 -7.340 1.00 0.00 C ATOM 277 C LEU A 18 -2.740 -7.280 -7.528 1.00 0.00 C ATOM 278 O LEU A 18 -3.564 -6.484 -7.977 1.00 0.00 O ATOM 279 CB LEU A 18 -1.070 -6.291 -5.946 1.00 0.00 C ATOM 280 CG LEU A 18 0.386 -6.012 -5.582 1.00 0.00 C ATOM 281 CD1 LEU A 18 0.497 -5.508 -4.153 1.00 0.00 C ATOM 282 CD2 LEU A 18 1.226 -7.262 -5.775 1.00 0.00 C ATOM 0 H LEU A 18 -0.787 -4.975 -8.051 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.669 -7.776 -7.435 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.633 -5.360 -5.871 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.488 -6.977 -5.209 1.00 0.00 H new ATOM 0 HG LEU A 18 0.764 -5.234 -6.245 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.543 -5.316 -3.915 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.075 -4.586 -4.047 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.102 -6.260 -3.470 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.262 -7.048 -5.512 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.846 -8.058 -5.135 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.174 -7.578 -6.817 1.00 0.00 H new ATOM 294 N SER A 19 -3.038 -8.521 -7.184 1.00 0.00 N ATOM 295 CA SER A 19 -4.373 -9.065 -7.341 1.00 0.00 C ATOM 296 C SER A 19 -5.295 -8.579 -6.227 1.00 0.00 C ATOM 297 O SER A 19 -4.898 -8.529 -5.064 1.00 0.00 O ATOM 298 CB SER A 19 -4.296 -10.585 -7.349 1.00 0.00 C ATOM 299 OG SER A 19 -3.352 -11.033 -8.306 1.00 0.00 O ATOM 0 H SER A 19 -2.363 -9.177 -6.790 1.00 0.00 H new ATOM 0 HA SER A 19 -4.789 -8.719 -8.287 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.017 -10.945 -6.359 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.277 -11.003 -7.575 1.00 0.00 H new ATOM 0 HG SER A 19 -3.315 -12.012 -8.295 1.00 0.00 H new ATOM 305 N ASP A 20 -6.525 -8.236 -6.591 1.00 0.00 N ATOM 306 CA ASP A 20 -7.494 -7.677 -5.647 1.00 0.00 C ATOM 307 C ASP A 20 -7.761 -8.633 -4.487 1.00 0.00 C ATOM 308 O ASP A 20 -8.002 -8.201 -3.355 1.00 0.00 O ATOM 309 CB ASP A 20 -8.807 -7.374 -6.364 1.00 0.00 C ATOM 310 CG ASP A 20 -9.803 -6.652 -5.483 1.00 0.00 C ATOM 311 OD1 ASP A 20 -9.616 -5.443 -5.241 1.00 0.00 O ATOM 312 OD2 ASP A 20 -10.785 -7.288 -5.040 1.00 0.00 O ATOM 0 H ASP A 20 -6.880 -8.335 -7.542 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.070 -6.757 -5.244 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.602 -6.767 -7.246 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -9.248 -8.307 -6.714 1.00 0.00 H new ATOM 317 N LYS A 21 -7.706 -9.928 -4.775 1.00 0.00 N ATOM 318 CA LYS A 21 -7.937 -10.952 -3.765 1.00 0.00 C ATOM 319 C LYS A 21 -6.944 -10.824 -2.614 1.00 0.00 C ATOM 320 O LYS A 21 -7.327 -10.876 -1.447 1.00 0.00 O ATOM 321 CB LYS A 21 -7.831 -12.348 -4.381 1.00 0.00 C ATOM 322 CG LYS A 21 -8.838 -12.615 -5.485 1.00 0.00 C ATOM 323 CD LYS A 21 -8.620 -13.990 -6.099 1.00 0.00 C ATOM 324 CE LYS A 21 -9.577 -14.252 -7.248 1.00 0.00 C ATOM 325 NZ LYS A 21 -9.316 -15.567 -7.885 1.00 0.00 N ATOM 0 H LYS A 21 -7.502 -10.294 -5.705 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.944 -10.808 -3.374 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.826 -12.482 -4.780 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -7.964 -13.092 -3.595 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.849 -12.548 -5.084 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.749 -11.850 -6.256 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.593 -14.070 -6.456 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.752 -14.755 -5.334 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.603 -14.221 -6.882 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.480 -13.461 -7.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.987 -15.714 -8.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.344 -15.587 -8.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.433 -16.323 -7.181 1.00 0.00 H new ATOM 339 N LEU A 22 -5.667 -10.671 -2.943 1.00 0.00 N ATOM 340 CA LEU A 22 -4.645 -10.488 -1.922 1.00 0.00 C ATOM 341 C LEU A 22 -4.711 -9.077 -1.345 1.00 0.00 C ATOM 342 O LEU A 22 -4.359 -8.855 -0.188 1.00 0.00 O ATOM 343 CB LEU A 22 -3.241 -10.811 -2.474 1.00 0.00 C ATOM 344 CG LEU A 22 -2.712 -9.922 -3.610 1.00 0.00 C ATOM 345 CD1 LEU A 22 -2.047 -8.664 -3.064 1.00 0.00 C ATOM 346 CD2 LEU A 22 -1.735 -10.702 -4.476 1.00 0.00 C ATOM 0 H LEU A 22 -5.317 -10.670 -3.901 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.841 -11.190 -1.112 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.533 -10.760 -1.647 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.245 -11.842 -2.826 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.561 -9.614 -4.221 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.683 -8.056 -3.892 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.771 -8.092 -2.485 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.210 -8.943 -2.424 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.367 -10.061 -5.277 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.896 -11.038 -3.866 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.240 -11.567 -4.906 1.00 0.00 H new ATOM 358 N LEU A 23 -5.185 -8.134 -2.155 1.00 0.00 N ATOM 359 CA LEU A 23 -5.245 -6.734 -1.752 1.00 0.00 C ATOM 360 C LEU A 23 -6.183 -6.526 -0.567 1.00 0.00 C ATOM 361 O LEU A 23 -5.810 -5.871 0.400 1.00 0.00 O ATOM 362 CB LEU A 23 -5.662 -5.841 -2.927 1.00 0.00 C ATOM 363 CG LEU A 23 -4.599 -5.663 -4.017 1.00 0.00 C ATOM 364 CD1 LEU A 23 -5.113 -4.779 -5.144 1.00 0.00 C ATOM 365 CD2 LEU A 23 -3.329 -5.075 -3.424 1.00 0.00 C ATOM 0 H LEU A 23 -5.534 -8.316 -3.096 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.242 -6.447 -1.437 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.560 -6.261 -3.381 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.931 -4.858 -2.539 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.373 -6.645 -4.433 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.338 -4.670 -5.903 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.997 -5.235 -5.590 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.373 -3.798 -4.747 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.583 -4.954 -4.209 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.550 -4.104 -2.981 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.942 -5.745 -2.656 1.00 0.00 H new ATOM 377 N ARG A 24 -7.391 -7.086 -0.633 1.00 0.00 N ATOM 378 CA ARG A 24 -8.363 -6.951 0.461 1.00 0.00 C ATOM 379 C ARG A 24 -7.785 -7.421 1.802 1.00 0.00 C ATOM 380 O ARG A 24 -8.265 -7.035 2.868 1.00 0.00 O ATOM 381 CB ARG A 24 -9.634 -7.747 0.151 1.00 0.00 C ATOM 382 CG ARG A 24 -9.397 -9.240 0.023 1.00 0.00 C ATOM 383 CD ARG A 24 -10.700 -10.005 -0.094 1.00 0.00 C ATOM 384 NE ARG A 24 -11.525 -9.858 1.103 1.00 0.00 N ATOM 385 CZ ARG A 24 -12.784 -10.268 1.189 1.00 0.00 C ATOM 386 NH1 ARG A 24 -13.354 -10.890 0.168 1.00 0.00 N ATOM 387 NH2 ARG A 24 -13.467 -10.072 2.306 1.00 0.00 N ATOM 0 H ARG A 24 -7.722 -7.635 -1.426 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.603 -5.891 0.545 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.366 -7.570 0.939 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.069 -7.375 -0.777 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.779 -9.437 -0.853 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.842 -9.596 0.891 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.254 -9.649 -0.963 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.488 -11.061 -0.262 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.108 -9.414 1.921 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.825 -11.055 -0.688 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -14.322 -11.204 0.238 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -13.025 -9.606 3.099 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -14.435 -10.387 2.374 1.00 0.00 H new ATOM 401 N LYS A 25 -6.750 -8.245 1.735 1.00 0.00 N ATOM 402 CA LYS A 25 -6.118 -8.800 2.927 1.00 0.00 C ATOM 403 C LYS A 25 -4.931 -7.951 3.381 1.00 0.00 C ATOM 404 O LYS A 25 -4.145 -8.361 4.240 1.00 0.00 O ATOM 405 CB LYS A 25 -5.680 -10.238 2.669 1.00 0.00 C ATOM 406 CG LYS A 25 -6.835 -11.227 2.707 1.00 0.00 C ATOM 407 CD LYS A 25 -6.402 -12.615 2.273 1.00 0.00 C ATOM 408 CE LYS A 25 -6.084 -12.650 0.790 1.00 0.00 C ATOM 409 NZ LYS A 25 -5.712 -14.014 0.327 1.00 0.00 N ATOM 0 H LYS A 25 -6.325 -8.548 0.859 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.854 -8.792 3.731 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -5.192 -10.294 1.696 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.938 -10.525 3.414 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -7.242 -11.272 3.717 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -7.636 -10.876 2.056 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -5.525 -12.920 2.843 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.192 -13.332 2.495 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.949 -12.300 0.226 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -5.266 -11.961 0.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.503 -13.990 -0.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.871 -14.339 0.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.501 -14.668 0.503 1.00 0.00 H new ATOM 423 N VAL A 26 -4.802 -6.772 2.797 1.00 0.00 N ATOM 424 CA VAL A 26 -3.838 -5.801 3.251 1.00 0.00 C ATOM 425 C VAL A 26 -4.328 -5.182 4.552 1.00 0.00 C ATOM 426 O VAL A 26 -5.475 -4.752 4.652 1.00 0.00 O ATOM 427 CB VAL A 26 -3.610 -4.714 2.180 1.00 0.00 C ATOM 428 CG1 VAL A 26 -3.032 -3.455 2.789 1.00 0.00 C ATOM 429 CG2 VAL A 26 -2.694 -5.240 1.088 1.00 0.00 C ATOM 0 H VAL A 26 -5.362 -6.468 2.000 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.883 -6.297 3.426 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.576 -4.461 1.744 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.883 -2.709 2.009 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.720 -3.064 3.538 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.076 -3.684 3.259 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.540 -4.465 0.338 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.734 -5.521 1.522 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.150 -6.113 0.620 1.00 0.00 H new ATOM 439 N ILE A 27 -3.464 -5.162 5.550 1.00 0.00 N ATOM 440 CA ILE A 27 -3.851 -4.688 6.872 1.00 0.00 C ATOM 441 C ILE A 27 -3.514 -3.213 7.050 1.00 0.00 C ATOM 442 O ILE A 27 -4.206 -2.495 7.767 1.00 0.00 O ATOM 443 CB ILE A 27 -3.194 -5.521 7.997 1.00 0.00 C ATOM 444 CG1 ILE A 27 -1.665 -5.522 7.878 1.00 0.00 C ATOM 445 CG2 ILE A 27 -3.724 -6.943 7.970 1.00 0.00 C ATOM 446 CD1 ILE A 27 -0.973 -6.377 8.922 1.00 0.00 C ATOM 0 H ILE A 27 -2.493 -5.466 5.474 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.931 -4.811 6.947 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.452 -5.059 8.950 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.387 -5.879 6.886 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.302 -4.498 7.961 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -3.255 -7.521 8.766 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -4.804 -6.932 8.118 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -3.494 -7.399 7.007 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.106 -6.329 8.775 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.221 -6.008 9.917 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.306 -7.410 8.825 1.00 0.00 H new ATOM 458 N GLN A 28 -2.457 -2.768 6.383 1.00 0.00 N ATOM 459 CA GLN A 28 -2.019 -1.378 6.459 1.00 0.00 C ATOM 460 C GLN A 28 -1.286 -0.987 5.186 1.00 0.00 C ATOM 461 O GLN A 28 -0.780 -1.845 4.462 1.00 0.00 O ATOM 462 CB GLN A 28 -1.102 -1.154 7.670 1.00 0.00 C ATOM 463 CG GLN A 28 -1.838 -1.060 8.998 1.00 0.00 C ATOM 464 CD GLN A 28 -2.705 0.180 9.096 1.00 0.00 C ATOM 465 OE1 GLN A 28 -2.380 1.228 8.535 1.00 0.00 O ATOM 466 NE2 GLN A 28 -3.825 0.063 9.791 1.00 0.00 N ATOM 0 H GLN A 28 -1.882 -3.354 5.778 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.905 -0.753 6.574 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -0.382 -1.971 7.723 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -0.533 -0.237 7.517 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -2.460 -1.945 9.128 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -1.113 -1.058 9.812 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -4.056 -0.823 10.240 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -4.457 0.859 9.878 1.00 0.00 H new ATOM 475 N VAL A 29 -1.250 0.304 4.907 1.00 0.00 N ATOM 476 CA VAL A 29 -0.490 0.818 3.782 1.00 0.00 C ATOM 477 C VAL A 29 0.612 1.726 4.305 1.00 0.00 C ATOM 478 O VAL A 29 0.335 2.719 4.979 1.00 0.00 O ATOM 479 CB VAL A 29 -1.375 1.597 2.785 1.00 0.00 C ATOM 480 CG1 VAL A 29 -0.567 2.016 1.565 1.00 0.00 C ATOM 481 CG2 VAL A 29 -2.582 0.769 2.369 1.00 0.00 C ATOM 0 H VAL A 29 -1.740 1.018 5.446 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.068 -0.031 3.245 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.736 2.496 3.284 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.208 2.564 0.874 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.259 2.655 1.878 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.172 1.130 1.068 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.190 1.339 1.667 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.245 -0.152 1.893 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.177 0.525 3.249 1.00 0.00 H new ATOM 491 N GLU A 30 1.851 1.376 4.013 1.00 0.00 N ATOM 492 CA GLU A 30 2.987 2.107 4.540 1.00 0.00 C ATOM 493 C GLU A 30 3.654 2.936 3.451 1.00 0.00 C ATOM 494 O GLU A 30 3.909 2.453 2.346 1.00 0.00 O ATOM 495 CB GLU A 30 3.972 1.135 5.201 1.00 0.00 C ATOM 496 CG GLU A 30 4.292 -0.102 4.369 1.00 0.00 C ATOM 497 CD GLU A 30 4.507 -1.337 5.234 1.00 0.00 C ATOM 498 OE1 GLU A 30 4.542 -1.207 6.479 1.00 0.00 O ATOM 499 OE2 GLU A 30 4.616 -2.450 4.684 1.00 0.00 O ATOM 0 H GLU A 30 2.096 0.589 3.413 1.00 0.00 H new ATOM 0 HA GLU A 30 2.638 2.805 5.301 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.900 1.666 5.412 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.561 0.817 6.159 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.477 -0.288 3.669 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.187 0.083 3.775 1.00 0.00 H new ATOM 506 N LEU A 31 3.912 4.199 3.761 1.00 0.00 N ATOM 507 CA LEU A 31 4.510 5.103 2.803 1.00 0.00 C ATOM 508 C LEU A 31 5.985 5.289 3.096 1.00 0.00 C ATOM 509 O LEU A 31 6.367 5.794 4.152 1.00 0.00 O ATOM 510 CB LEU A 31 3.803 6.461 2.814 1.00 0.00 C ATOM 511 CG LEU A 31 4.419 7.518 1.887 1.00 0.00 C ATOM 512 CD1 LEU A 31 4.444 7.028 0.447 1.00 0.00 C ATOM 513 CD2 LEU A 31 3.657 8.829 1.984 1.00 0.00 C ATOM 0 H LEU A 31 3.714 4.616 4.671 1.00 0.00 H new ATOM 0 HA LEU A 31 4.397 4.661 1.813 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.761 6.314 2.531 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.805 6.847 3.833 1.00 0.00 H new ATOM 0 HG LEU A 31 5.446 7.689 2.210 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.885 7.794 -0.191 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.039 6.117 0.383 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.426 6.821 0.115 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.111 9.564 1.319 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.619 8.669 1.693 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.694 9.196 3.010 1.00 0.00 H new ATOM 525 N GLN A 32 6.799 4.859 2.159 1.00 0.00 N ATOM 526 CA GLN A 32 8.226 5.078 2.219 1.00 0.00 C ATOM 527 C GLN A 32 8.525 6.422 1.587 1.00 0.00 C ATOM 528 O GLN A 32 8.343 6.597 0.384 1.00 0.00 O ATOM 529 CB GLN A 32 8.938 3.965 1.459 1.00 0.00 C ATOM 530 CG GLN A 32 10.394 3.796 1.824 1.00 0.00 C ATOM 531 CD GLN A 32 10.989 2.594 1.135 1.00 0.00 C ATOM 532 OE1 GLN A 32 10.835 1.478 1.601 1.00 0.00 O ATOM 533 NE2 GLN A 32 11.689 2.807 0.034 1.00 0.00 N ATOM 0 H GLN A 32 6.490 4.347 1.333 1.00 0.00 H new ATOM 0 HA GLN A 32 8.575 5.072 3.252 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.418 3.025 1.643 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.864 4.166 0.390 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.949 4.691 1.544 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.491 3.685 2.904 1.00 0.00 H new ATOM 0 HE21 GLN A 32 11.796 3.755 -0.327 1.00 0.00 H new ATOM 0 HE22 GLN A 32 12.122 2.023 -0.455 1.00 0.00 H new ATOM 542 N GLU A 33 8.935 7.378 2.397 1.00 0.00 N ATOM 543 CA GLU A 33 9.197 8.716 1.903 1.00 0.00 C ATOM 544 C GLU A 33 10.408 8.711 0.972 1.00 0.00 C ATOM 545 O GLU A 33 11.185 7.761 0.963 1.00 0.00 O ATOM 546 CB GLU A 33 9.389 9.683 3.071 1.00 0.00 C ATOM 547 CG GLU A 33 8.181 9.740 3.998 1.00 0.00 C ATOM 548 CD GLU A 33 8.329 10.768 5.103 1.00 0.00 C ATOM 549 OE1 GLU A 33 9.469 11.037 5.532 1.00 0.00 O ATOM 550 OE2 GLU A 33 7.295 11.313 5.550 1.00 0.00 O ATOM 0 H GLU A 33 9.094 7.254 3.397 1.00 0.00 H new ATOM 0 HA GLU A 33 8.338 9.058 1.326 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.266 9.383 3.644 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.589 10.681 2.681 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.291 9.970 3.412 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.025 8.757 4.442 1.00 0.00 H new ATOM 557 N ALA A 34 10.570 9.781 0.203 1.00 0.00 N ATOM 558 CA ALA A 34 11.586 9.830 -0.847 1.00 0.00 C ATOM 559 C ALA A 34 12.988 9.925 -0.264 1.00 0.00 C ATOM 560 O ALA A 34 13.979 9.754 -0.974 1.00 0.00 O ATOM 561 CB ALA A 34 11.325 11.008 -1.773 1.00 0.00 C ATOM 0 H ALA A 34 10.010 10.630 0.286 1.00 0.00 H new ATOM 0 HA ALA A 34 11.523 8.902 -1.416 1.00 0.00 H new ATOM 0 HB1 ALA A 34 12.088 11.035 -2.551 1.00 0.00 H new ATOM 0 HB2 ALA A 34 10.342 10.899 -2.232 1.00 0.00 H new ATOM 0 HB3 ALA A 34 11.358 11.935 -1.201 1.00 0.00 H new ATOM 567 N ASP A 35 13.049 10.182 1.030 1.00 0.00 N ATOM 568 CA ASP A 35 14.305 10.364 1.738 1.00 0.00 C ATOM 569 C ASP A 35 13.997 10.533 3.220 1.00 0.00 C ATOM 570 O ASP A 35 14.763 11.122 3.975 1.00 0.00 O ATOM 571 CB ASP A 35 15.054 11.586 1.193 1.00 0.00 C ATOM 572 CG ASP A 35 16.507 11.631 1.624 1.00 0.00 C ATOM 573 OD1 ASP A 35 17.318 10.857 1.078 1.00 0.00 O ATOM 574 OD2 ASP A 35 16.849 12.449 2.503 1.00 0.00 O ATOM 0 H ASP A 35 12.224 10.271 1.623 1.00 0.00 H new ATOM 0 HA ASP A 35 14.947 9.495 1.593 1.00 0.00 H new ATOM 0 HB2 ASP A 35 15.004 11.580 0.104 1.00 0.00 H new ATOM 0 HB3 ASP A 35 14.552 12.493 1.530 1.00 0.00 H new ATOM 579 N GLY A 36 12.856 9.987 3.621 1.00 0.00 N ATOM 580 CA GLY A 36 12.402 10.110 4.988 1.00 0.00 C ATOM 581 C GLY A 36 12.315 8.761 5.656 1.00 0.00 C ATOM 582 O GLY A 36 11.318 8.056 5.495 1.00 0.00 O ATOM 0 H GLY A 36 12.232 9.456 3.014 1.00 0.00 H new ATOM 0 HA2 GLY A 36 13.085 10.751 5.545 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.425 10.592 5.008 1.00 0.00 H new ATOM 586 N ASP A 37 13.395 8.418 6.364 1.00 0.00 N ATOM 587 CA ASP A 37 13.607 7.130 7.040 1.00 0.00 C ATOM 588 C ASP A 37 14.498 6.306 6.149 1.00 0.00 C ATOM 589 O ASP A 37 15.413 5.619 6.602 1.00 0.00 O ATOM 590 CB ASP A 37 12.314 6.363 7.374 1.00 0.00 C ATOM 591 CG ASP A 37 12.577 5.162 8.264 1.00 0.00 C ATOM 592 OD1 ASP A 37 13.122 5.355 9.373 1.00 0.00 O ATOM 593 OD2 ASP A 37 12.227 4.027 7.874 1.00 0.00 O ATOM 0 H ASP A 37 14.181 9.056 6.488 1.00 0.00 H new ATOM 0 HA ASP A 37 14.063 7.327 8.010 1.00 0.00 H new ATOM 0 HB2 ASP A 37 11.612 7.034 7.869 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.840 6.032 6.450 1.00 0.00 H new ATOM 598 N CYS A 38 14.237 6.445 4.865 1.00 0.00 N ATOM 599 CA CYS A 38 15.047 5.854 3.829 1.00 0.00 C ATOM 600 C CYS A 38 14.920 6.672 2.561 1.00 0.00 C ATOM 601 O CYS A 38 13.951 7.413 2.389 1.00 0.00 O ATOM 602 CB CYS A 38 14.591 4.438 3.533 1.00 0.00 C ATOM 603 SG CYS A 38 14.639 3.299 4.958 1.00 0.00 S ATOM 0 H CYS A 38 13.444 6.980 4.511 1.00 0.00 H new ATOM 0 HA CYS A 38 16.081 5.836 4.172 1.00 0.00 H new ATOM 0 HB2 CYS A 38 13.571 4.473 3.149 1.00 0.00 H new ATOM 0 HB3 CYS A 38 15.216 4.029 2.739 1.00 0.00 H new ATOM 608 N HIS A 39 15.896 6.547 1.684 1.00 0.00 N ATOM 609 CA HIS A 39 15.805 7.143 0.362 1.00 0.00 C ATOM 610 C HIS A 39 14.934 6.272 -0.535 1.00 0.00 C ATOM 611 O HIS A 39 14.682 5.111 -0.210 1.00 0.00 O ATOM 612 CB HIS A 39 17.196 7.328 -0.258 1.00 0.00 C ATOM 613 CG HIS A 39 18.007 6.069 -0.350 1.00 0.00 C ATOM 614 ND1 HIS A 39 19.027 5.770 0.526 1.00 0.00 N ATOM 615 CD2 HIS A 39 17.950 5.034 -1.222 1.00 0.00 C ATOM 616 CE1 HIS A 39 19.561 4.610 0.198 1.00 0.00 C ATOM 617 NE2 HIS A 39 18.926 4.143 -0.858 1.00 0.00 N ATOM 0 H HIS A 39 16.762 6.038 1.861 1.00 0.00 H new ATOM 0 HA HIS A 39 15.350 8.129 0.457 1.00 0.00 H new ATOM 0 HB2 HIS A 39 17.082 7.746 -1.258 1.00 0.00 H new ATOM 0 HB3 HIS A 39 17.749 8.059 0.332 1.00 0.00 H new ATOM 0 HD2 HIS A 39 17.264 4.930 -2.049 1.00 0.00 H new ATOM 0 HE1 HIS A 39 20.380 4.125 0.708 1.00 0.00 H new ATOM 0 HE2 HIS A 39 19.128 3.261 -1.329 1.00 0.00 H new ATOM 626 N LEU A 40 14.492 6.844 -1.654 1.00 0.00 N ATOM 627 CA LEU A 40 13.659 6.142 -2.636 1.00 0.00 C ATOM 628 C LEU A 40 12.229 6.006 -2.113 1.00 0.00 C ATOM 629 O LEU A 40 11.949 5.210 -1.217 1.00 0.00 O ATOM 630 CB LEU A 40 14.285 4.775 -3.004 1.00 0.00 C ATOM 631 CG LEU A 40 13.593 3.958 -4.112 1.00 0.00 C ATOM 632 CD1 LEU A 40 12.523 3.044 -3.531 1.00 0.00 C ATOM 633 CD2 LEU A 40 12.997 4.869 -5.178 1.00 0.00 C ATOM 0 H LEU A 40 14.701 7.810 -1.908 1.00 0.00 H new ATOM 0 HA LEU A 40 13.615 6.728 -3.554 1.00 0.00 H new ATOM 0 HB2 LEU A 40 15.318 4.947 -3.307 1.00 0.00 H new ATOM 0 HB3 LEU A 40 14.315 4.164 -2.102 1.00 0.00 H new ATOM 0 HG LEU A 40 14.353 3.336 -4.585 1.00 0.00 H new ATOM 0 HD11 LEU A 40 12.051 2.479 -4.335 1.00 0.00 H new ATOM 0 HD12 LEU A 40 12.980 2.353 -2.822 1.00 0.00 H new ATOM 0 HD13 LEU A 40 11.771 3.644 -3.019 1.00 0.00 H new ATOM 0 HD21 LEU A 40 12.516 4.264 -5.946 1.00 0.00 H new ATOM 0 HD22 LEU A 40 12.260 5.529 -4.721 1.00 0.00 H new ATOM 0 HD23 LEU A 40 13.789 5.467 -5.630 1.00 0.00 H new ATOM 645 N GLN A 41 11.331 6.814 -2.670 1.00 0.00 N ATOM 646 CA GLN A 41 9.933 6.816 -2.251 1.00 0.00 C ATOM 647 C GLN A 41 9.206 5.599 -2.800 1.00 0.00 C ATOM 648 O GLN A 41 9.305 5.289 -3.990 1.00 0.00 O ATOM 649 CB GLN A 41 9.230 8.098 -2.719 1.00 0.00 C ATOM 650 CG GLN A 41 7.793 8.222 -2.233 1.00 0.00 C ATOM 651 CD GLN A 41 7.140 9.518 -2.667 1.00 0.00 C ATOM 652 OE1 GLN A 41 6.534 9.596 -3.736 1.00 0.00 O ATOM 653 NE2 GLN A 41 7.250 10.541 -1.837 1.00 0.00 N ATOM 0 H GLN A 41 11.547 7.477 -3.414 1.00 0.00 H new ATOM 0 HA GLN A 41 9.908 6.778 -1.162 1.00 0.00 H new ATOM 0 HB2 GLN A 41 9.798 8.961 -2.370 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.239 8.130 -3.809 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.211 7.382 -2.612 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.775 8.157 -1.145 1.00 0.00 H new ATOM 0 HE21 GLN A 41 7.761 10.434 -0.961 1.00 0.00 H new ATOM 0 HE22 GLN A 41 6.824 11.437 -2.073 1.00 0.00 H new ATOM 662 N ALA A 42 8.463 4.925 -1.936 1.00 0.00 N ATOM 663 CA ALA A 42 7.736 3.730 -2.325 1.00 0.00 C ATOM 664 C ALA A 42 6.404 3.632 -1.594 1.00 0.00 C ATOM 665 O ALA A 42 6.314 3.903 -0.398 1.00 0.00 O ATOM 666 CB ALA A 42 8.571 2.486 -2.054 1.00 0.00 C ATOM 0 H ALA A 42 8.348 5.188 -0.957 1.00 0.00 H new ATOM 0 HA ALA A 42 7.535 3.797 -3.394 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.011 1.600 -2.351 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.498 2.538 -2.626 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.803 2.428 -0.991 1.00 0.00 H new ATOM 672 N PHE A 43 5.372 3.257 -2.327 1.00 0.00 N ATOM 673 CA PHE A 43 4.087 2.940 -1.734 1.00 0.00 C ATOM 674 C PHE A 43 4.022 1.443 -1.491 1.00 0.00 C ATOM 675 O PHE A 43 3.866 0.659 -2.427 1.00 0.00 O ATOM 676 CB PHE A 43 2.940 3.376 -2.644 1.00 0.00 C ATOM 677 CG PHE A 43 2.377 4.733 -2.330 1.00 0.00 C ATOM 678 CD1 PHE A 43 1.530 4.907 -1.248 1.00 0.00 C ATOM 679 CD2 PHE A 43 2.673 5.826 -3.127 1.00 0.00 C ATOM 680 CE1 PHE A 43 0.986 6.144 -0.967 1.00 0.00 C ATOM 681 CE2 PHE A 43 2.136 7.069 -2.849 1.00 0.00 C ATOM 682 CZ PHE A 43 1.291 7.228 -1.768 1.00 0.00 C ATOM 0 H PHE A 43 5.400 3.164 -3.342 1.00 0.00 H new ATOM 0 HA PHE A 43 3.984 3.478 -0.792 1.00 0.00 H new ATOM 0 HB2 PHE A 43 3.290 3.372 -3.676 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.139 2.640 -2.576 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.292 4.064 -0.616 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.331 5.706 -3.975 1.00 0.00 H new ATOM 0 HE1 PHE A 43 0.323 6.265 -0.123 1.00 0.00 H new ATOM 0 HE2 PHE A 43 2.377 7.915 -3.476 1.00 0.00 H new ATOM 0 HZ PHE A 43 0.869 8.198 -1.549 1.00 0.00 H new ATOM 692 N VAL A 44 4.175 1.044 -0.245 1.00 0.00 N ATOM 693 CA VAL A 44 4.297 -0.362 0.082 1.00 0.00 C ATOM 694 C VAL A 44 3.027 -0.883 0.739 1.00 0.00 C ATOM 695 O VAL A 44 2.511 -0.294 1.692 1.00 0.00 O ATOM 696 CB VAL A 44 5.526 -0.599 0.982 1.00 0.00 C ATOM 697 CG1 VAL A 44 5.699 -2.073 1.320 1.00 0.00 C ATOM 698 CG2 VAL A 44 6.769 -0.053 0.293 1.00 0.00 C ATOM 0 H VAL A 44 4.218 1.673 0.557 1.00 0.00 H new ATOM 0 HA VAL A 44 4.440 -0.918 -0.844 1.00 0.00 H new ATOM 0 HB VAL A 44 5.372 -0.072 1.924 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.575 -2.200 1.956 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.814 -2.432 1.846 1.00 0.00 H new ATOM 0 HG13 VAL A 44 5.831 -2.644 0.401 1.00 0.00 H new ATOM 0 HG21 VAL A 44 7.639 -0.219 0.928 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.911 -0.564 -0.659 1.00 0.00 H new ATOM 0 HG23 VAL A 44 6.647 1.016 0.117 1.00 0.00 H new ATOM 708 N LEU A 45 2.509 -1.974 0.198 1.00 0.00 N ATOM 709 CA LEU A 45 1.276 -2.562 0.689 1.00 0.00 C ATOM 710 C LEU A 45 1.579 -3.665 1.682 1.00 0.00 C ATOM 711 O LEU A 45 2.291 -4.622 1.373 1.00 0.00 O ATOM 712 CB LEU A 45 0.440 -3.094 -0.473 1.00 0.00 C ATOM 713 CG LEU A 45 0.034 -2.029 -1.487 1.00 0.00 C ATOM 714 CD1 LEU A 45 -0.881 -2.613 -2.547 1.00 0.00 C ATOM 715 CD2 LEU A 45 -0.636 -0.859 -0.781 1.00 0.00 C ATOM 0 H LEU A 45 2.928 -2.472 -0.587 1.00 0.00 H new ATOM 0 HA LEU A 45 0.699 -1.790 1.199 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.005 -3.873 -0.986 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.460 -3.563 -0.075 1.00 0.00 H new ATOM 0 HG LEU A 45 0.933 -1.665 -1.984 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.157 -1.835 -3.258 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.364 -3.417 -3.071 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.780 -3.008 -2.074 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.921 -0.106 -1.515 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.525 -1.211 -0.258 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.058 -0.422 -0.063 1.00 0.00 H new ATOM 727 N HIS A 46 1.032 -3.533 2.873 1.00 0.00 N ATOM 728 CA HIS A 46 1.352 -4.449 3.950 1.00 0.00 C ATOM 729 C HIS A 46 0.221 -5.446 4.158 1.00 0.00 C ATOM 730 O HIS A 46 -0.789 -5.129 4.790 1.00 0.00 O ATOM 731 CB HIS A 46 1.618 -3.674 5.245 1.00 0.00 C ATOM 732 CG HIS A 46 2.375 -4.456 6.275 1.00 0.00 C ATOM 733 ND1 HIS A 46 3.648 -4.127 6.669 1.00 0.00 N ATOM 734 CD2 HIS A 46 2.036 -5.553 6.988 1.00 0.00 C ATOM 735 CE1 HIS A 46 4.065 -4.989 7.573 1.00 0.00 C ATOM 736 NE2 HIS A 46 3.105 -5.867 7.788 1.00 0.00 N ATOM 0 H HIS A 46 0.365 -2.802 3.120 1.00 0.00 H new ATOM 0 HA HIS A 46 2.253 -4.999 3.678 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.177 -2.769 5.007 1.00 0.00 H new ATOM 0 HB3 HIS A 46 0.665 -3.358 5.670 1.00 0.00 H new ATOM 0 HD1 HIS A 46 4.188 -3.337 6.316 1.00 0.00 H new ATOM 0 HD2 HIS A 46 1.097 -6.084 6.937 1.00 0.00 H new ATOM 0 HE1 HIS A 46 5.031 -4.979 8.057 1.00 0.00 H new ATOM 745 N LEU A 47 0.382 -6.642 3.612 1.00 0.00 N ATOM 746 CA LEU A 47 -0.560 -7.719 3.865 1.00 0.00 C ATOM 747 C LEU A 47 -0.303 -8.282 5.251 1.00 0.00 C ATOM 748 O LEU A 47 0.753 -8.041 5.833 1.00 0.00 O ATOM 749 CB LEU A 47 -0.442 -8.844 2.823 1.00 0.00 C ATOM 750 CG LEU A 47 -0.923 -8.510 1.407 1.00 0.00 C ATOM 751 CD1 LEU A 47 0.089 -7.642 0.671 1.00 0.00 C ATOM 752 CD2 LEU A 47 -1.203 -9.790 0.633 1.00 0.00 C ATOM 0 H LEU A 47 1.154 -6.890 2.993 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.569 -7.312 3.796 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.603 -9.150 2.766 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.007 -9.704 3.182 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.849 -7.940 1.486 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.281 -7.422 -0.331 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.234 -6.710 1.217 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.039 -8.172 0.599 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.544 -9.540 -0.372 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.291 -10.384 0.570 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.975 -10.364 1.146 1.00 0.00 H new ATOM 764 N ALA A 48 -1.249 -9.048 5.766 1.00 0.00 N ATOM 765 CA ALA A 48 -1.130 -9.612 7.107 1.00 0.00 C ATOM 766 C ALA A 48 0.039 -10.586 7.209 1.00 0.00 C ATOM 767 O ALA A 48 0.453 -10.961 8.306 1.00 0.00 O ATOM 768 CB ALA A 48 -2.420 -10.310 7.500 1.00 0.00 C ATOM 0 H ALA A 48 -2.110 -9.296 5.279 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.939 -8.787 7.794 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.318 -10.726 8.502 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.240 -9.593 7.487 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.629 -11.113 6.793 1.00 0.00 H new ATOM 774 N GLN A 49 0.568 -10.998 6.066 1.00 0.00 N ATOM 775 CA GLN A 49 1.633 -11.983 6.044 1.00 0.00 C ATOM 776 C GLN A 49 2.972 -11.354 5.658 1.00 0.00 C ATOM 777 O GLN A 49 4.017 -11.754 6.167 1.00 0.00 O ATOM 778 CB GLN A 49 1.285 -13.127 5.085 1.00 0.00 C ATOM 779 CG GLN A 49 -0.053 -13.796 5.395 1.00 0.00 C ATOM 780 CD GLN A 49 -1.259 -13.048 4.846 1.00 0.00 C ATOM 781 OE1 GLN A 49 -2.329 -13.047 5.454 1.00 0.00 O ATOM 782 NE2 GLN A 49 -1.114 -12.434 3.679 1.00 0.00 N ATOM 0 H GLN A 49 0.277 -10.666 5.147 1.00 0.00 H new ATOM 0 HA GLN A 49 1.733 -12.385 7.052 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.262 -12.742 4.066 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.075 -13.877 5.125 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.047 -14.806 4.985 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.158 -13.892 6.476 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.213 -12.454 3.201 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.903 -11.942 3.260 1.00 0.00 H new ATOM 791 N ARG A 50 2.940 -10.360 4.772 1.00 0.00 N ATOM 792 CA ARG A 50 4.170 -9.735 4.286 1.00 0.00 C ATOM 793 C ARG A 50 3.881 -8.436 3.542 1.00 0.00 C ATOM 794 O ARG A 50 2.739 -8.164 3.172 1.00 0.00 O ATOM 795 CB ARG A 50 4.946 -10.709 3.383 1.00 0.00 C ATOM 796 CG ARG A 50 4.078 -11.477 2.389 1.00 0.00 C ATOM 797 CD ARG A 50 3.589 -10.604 1.246 1.00 0.00 C ATOM 798 NE ARG A 50 2.689 -11.329 0.354 1.00 0.00 N ATOM 799 CZ ARG A 50 2.871 -11.450 -0.959 1.00 0.00 C ATOM 800 NH1 ARG A 50 3.970 -10.968 -1.524 1.00 0.00 N ATOM 801 NH2 ARG A 50 1.965 -12.082 -1.697 1.00 0.00 N ATOM 0 H ARG A 50 2.083 -9.972 4.378 1.00 0.00 H new ATOM 0 HA ARG A 50 4.784 -9.492 5.153 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.701 -10.150 2.831 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.476 -11.424 4.012 1.00 0.00 H new ATOM 0 HG2 ARG A 50 4.648 -12.313 1.985 1.00 0.00 H new ATOM 0 HG3 ARG A 50 3.220 -11.899 2.912 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.075 -9.732 1.650 1.00 0.00 H new ATOM 0 HD3 ARG A 50 4.444 -10.236 0.679 1.00 0.00 H new ATOM 0 HE ARG A 50 1.867 -11.772 0.764 1.00 0.00 H new ATOM 0 HH11 ARG A 50 4.676 -10.504 -0.952 1.00 0.00 H new ATOM 0 HH12 ARG A 50 4.109 -11.061 -2.530 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.132 -12.473 -1.257 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.102 -12.176 -2.703 1.00 0.00 H new ATOM 815 N SER A 51 4.920 -7.646 3.321 1.00 0.00 N ATOM 816 CA SER A 51 4.795 -6.393 2.594 1.00 0.00 C ATOM 817 C SER A 51 5.204 -6.561 1.135 1.00 0.00 C ATOM 818 O SER A 51 6.104 -7.340 0.813 1.00 0.00 O ATOM 819 CB SER A 51 5.664 -5.315 3.242 1.00 0.00 C ATOM 820 OG SER A 51 5.237 -5.031 4.558 1.00 0.00 O ATOM 0 H SER A 51 5.867 -7.853 3.638 1.00 0.00 H new ATOM 0 HA SER A 51 3.749 -6.090 2.632 1.00 0.00 H new ATOM 0 HB2 SER A 51 6.703 -5.644 3.258 1.00 0.00 H new ATOM 0 HB3 SER A 51 5.627 -4.406 2.642 1.00 0.00 H new ATOM 0 HG SER A 51 4.661 -4.238 4.551 1.00 0.00 H new ATOM 826 N ILE A 52 4.528 -5.836 0.262 1.00 0.00 N ATOM 827 CA ILE A 52 4.890 -5.776 -1.143 1.00 0.00 C ATOM 828 C ILE A 52 5.265 -4.344 -1.490 1.00 0.00 C ATOM 829 O ILE A 52 4.480 -3.423 -1.267 1.00 0.00 O ATOM 830 CB ILE A 52 3.734 -6.248 -2.049 1.00 0.00 C ATOM 831 CG1 ILE A 52 3.322 -7.673 -1.670 1.00 0.00 C ATOM 832 CG2 ILE A 52 4.148 -6.183 -3.513 1.00 0.00 C ATOM 833 CD1 ILE A 52 2.139 -8.198 -2.452 1.00 0.00 C ATOM 0 H ILE A 52 3.713 -5.273 0.506 1.00 0.00 H new ATOM 0 HA ILE A 52 5.734 -6.444 -1.314 1.00 0.00 H new ATOM 0 HB ILE A 52 2.880 -5.587 -1.905 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.171 -8.339 -1.824 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.083 -7.701 -0.607 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.322 -6.519 -4.140 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.406 -5.156 -3.773 1.00 0.00 H new ATOM 0 HG23 ILE A 52 5.012 -6.827 -3.676 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.909 -9.212 -2.126 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.275 -7.556 -2.279 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.379 -8.204 -3.515 1.00 0.00 H new ATOM 845 N CYS A 53 6.446 -4.158 -2.054 1.00 0.00 N ATOM 846 CA CYS A 53 6.984 -2.819 -2.225 1.00 0.00 C ATOM 847 C CYS A 53 6.782 -2.346 -3.656 1.00 0.00 C ATOM 848 O CYS A 53 7.257 -2.966 -4.608 1.00 0.00 O ATOM 849 CB CYS A 53 8.473 -2.816 -1.867 1.00 0.00 C ATOM 850 SG CYS A 53 8.880 -3.768 -0.362 1.00 0.00 S ATOM 0 H CYS A 53 7.045 -4.908 -2.398 1.00 0.00 H new ATOM 0 HA CYS A 53 6.456 -2.134 -1.561 1.00 0.00 H new ATOM 0 HB2 CYS A 53 9.038 -3.223 -2.705 1.00 0.00 H new ATOM 0 HB3 CYS A 53 8.801 -1.785 -1.732 1.00 0.00 H new ATOM 855 N ILE A 54 6.072 -1.238 -3.797 1.00 0.00 N ATOM 856 CA ILE A 54 5.677 -0.738 -5.100 1.00 0.00 C ATOM 857 C ILE A 54 6.147 0.700 -5.311 1.00 0.00 C ATOM 858 O ILE A 54 6.102 1.521 -4.397 1.00 0.00 O ATOM 859 CB ILE A 54 4.137 -0.812 -5.258 1.00 0.00 C ATOM 860 CG1 ILE A 54 3.675 -2.270 -5.329 1.00 0.00 C ATOM 861 CG2 ILE A 54 3.668 -0.042 -6.481 1.00 0.00 C ATOM 862 CD1 ILE A 54 2.176 -2.424 -5.476 1.00 0.00 C ATOM 0 H ILE A 54 5.756 -0.664 -3.015 1.00 0.00 H new ATOM 0 HA ILE A 54 6.151 -1.367 -5.854 1.00 0.00 H new ATOM 0 HB ILE A 54 3.688 -0.346 -4.381 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.166 -2.758 -6.171 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.999 -2.789 -4.427 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.583 -0.114 -6.563 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.956 1.005 -6.384 1.00 0.00 H new ATOM 0 HG23 ILE A 54 4.128 -0.464 -7.375 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.922 -3.483 -5.520 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.678 -1.966 -4.622 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.848 -1.934 -6.393 1.00 0.00 H new ATOM 874 N HIS A 55 6.618 0.992 -6.515 1.00 0.00 N ATOM 875 CA HIS A 55 6.967 2.356 -6.890 1.00 0.00 C ATOM 876 C HIS A 55 5.688 3.158 -7.119 1.00 0.00 C ATOM 877 O HIS A 55 4.753 2.657 -7.737 1.00 0.00 O ATOM 878 CB HIS A 55 7.827 2.353 -8.166 1.00 0.00 C ATOM 879 CG HIS A 55 8.224 3.722 -8.646 1.00 0.00 C ATOM 880 ND1 HIS A 55 7.429 4.488 -9.468 1.00 0.00 N ATOM 881 CD2 HIS A 55 9.334 4.463 -8.411 1.00 0.00 C ATOM 882 CE1 HIS A 55 8.026 5.635 -9.716 1.00 0.00 C ATOM 883 NE2 HIS A 55 9.185 5.649 -9.087 1.00 0.00 N ATOM 0 H HIS A 55 6.768 0.301 -7.251 1.00 0.00 H new ATOM 0 HA HIS A 55 7.544 2.815 -6.087 1.00 0.00 H new ATOM 0 HB2 HIS A 55 8.729 1.770 -7.981 1.00 0.00 H new ATOM 0 HB3 HIS A 55 7.277 1.847 -8.960 1.00 0.00 H new ATOM 0 HD1 HIS A 55 6.517 4.210 -9.830 1.00 0.00 H new ATOM 0 HD2 HIS A 55 10.179 4.174 -7.804 1.00 0.00 H new ATOM 0 HE1 HIS A 55 7.633 6.431 -10.331 1.00 0.00 H new ATOM 892 N PRO A 56 5.623 4.396 -6.606 1.00 0.00 N ATOM 893 CA PRO A 56 4.472 5.288 -6.813 1.00 0.00 C ATOM 894 C PRO A 56 4.126 5.468 -8.293 1.00 0.00 C ATOM 895 O PRO A 56 4.894 5.077 -9.171 1.00 0.00 O ATOM 896 CB PRO A 56 4.941 6.610 -6.203 1.00 0.00 C ATOM 897 CG PRO A 56 5.951 6.216 -5.186 1.00 0.00 C ATOM 898 CD PRO A 56 6.654 5.021 -5.759 1.00 0.00 C ATOM 0 HA PRO A 56 3.562 4.892 -6.362 1.00 0.00 H new ATOM 0 HB2 PRO A 56 5.374 7.264 -6.960 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.112 7.153 -5.749 1.00 0.00 H new ATOM 0 HG2 PRO A 56 6.652 7.028 -4.994 1.00 0.00 H new ATOM 0 HG3 PRO A 56 5.476 5.973 -4.235 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.531 5.310 -6.339 1.00 0.00 H new ATOM 0 HD3 PRO A 56 6.998 4.343 -4.978 1.00 0.00 H new ATOM 906 N GLN A 57 2.960 6.056 -8.560 1.00 0.00 N ATOM 907 CA GLN A 57 2.460 6.251 -9.929 1.00 0.00 C ATOM 908 C GLN A 57 2.060 4.923 -10.581 1.00 0.00 C ATOM 909 O GLN A 57 1.585 4.900 -11.717 1.00 0.00 O ATOM 910 CB GLN A 57 3.490 6.976 -10.807 1.00 0.00 C ATOM 911 CG GLN A 57 3.777 8.409 -10.376 1.00 0.00 C ATOM 912 CD GLN A 57 2.563 9.312 -10.488 1.00 0.00 C ATOM 913 OE1 GLN A 57 2.318 9.914 -11.533 1.00 0.00 O ATOM 914 NE2 GLN A 57 1.803 9.426 -9.411 1.00 0.00 N ATOM 0 H GLN A 57 2.333 6.411 -7.838 1.00 0.00 H new ATOM 0 HA GLN A 57 1.571 6.876 -9.850 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.422 6.411 -10.796 1.00 0.00 H new ATOM 0 HB3 GLN A 57 3.133 6.982 -11.837 1.00 0.00 H new ATOM 0 HG2 GLN A 57 4.130 8.409 -9.345 1.00 0.00 H new ATOM 0 HG3 GLN A 57 4.582 8.813 -10.989 1.00 0.00 H new ATOM 0 HE21 GLN A 57 2.039 8.910 -8.563 1.00 0.00 H new ATOM 0 HE22 GLN A 57 0.981 10.029 -9.429 1.00 0.00 H new ATOM 923 N ASN A 58 2.238 3.826 -9.853 1.00 0.00 N ATOM 924 CA ASN A 58 1.894 2.503 -10.360 1.00 0.00 C ATOM 925 C ASN A 58 0.397 2.274 -10.220 1.00 0.00 C ATOM 926 O ASN A 58 -0.164 2.450 -9.135 1.00 0.00 O ATOM 927 CB ASN A 58 2.680 1.424 -9.610 1.00 0.00 C ATOM 928 CG ASN A 58 2.962 0.203 -10.467 1.00 0.00 C ATOM 929 OD1 ASN A 58 2.184 -0.853 -10.290 1.00 0.00 O flip ATOM 930 ND2 ASN A 58 3.902 0.196 -11.257 1.00 0.00 N flip ATOM 0 H ASN A 58 2.620 3.827 -8.907 1.00 0.00 H new ATOM 0 HA ASN A 58 2.161 2.444 -11.415 1.00 0.00 H new ATOM 0 HB2 ASN A 58 3.623 1.844 -9.261 1.00 0.00 H new ATOM 0 HB3 ASN A 58 2.120 1.121 -8.726 1.00 0.00 H new ATOM 0 HD21 ASN A 58 4.481 1.028 -11.368 1.00 0.00 H new ATOM 0 HD22 ASN A 58 4.104 -0.642 -11.802 1.00 0.00 H new ATOM 937 N PRO A 59 -0.267 1.889 -11.325 1.00 0.00 N ATOM 938 CA PRO A 59 -1.724 1.707 -11.379 1.00 0.00 C ATOM 939 C PRO A 59 -2.257 0.842 -10.239 1.00 0.00 C ATOM 940 O PRO A 59 -3.356 1.073 -9.741 1.00 0.00 O ATOM 941 CB PRO A 59 -1.962 1.013 -12.731 1.00 0.00 C ATOM 942 CG PRO A 59 -0.609 0.626 -13.235 1.00 0.00 C ATOM 943 CD PRO A 59 0.353 1.603 -12.626 1.00 0.00 C ATOM 0 HA PRO A 59 -2.244 2.660 -11.277 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -2.601 0.137 -12.614 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -2.463 1.682 -13.431 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.363 -0.396 -12.947 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -0.571 0.668 -14.324 1.00 0.00 H new ATOM 0 HD2 PRO A 59 1.350 1.176 -12.516 1.00 0.00 H new ATOM 0 HD3 PRO A 59 0.457 2.503 -13.233 1.00 0.00 H new ATOM 951 N SER A 60 -1.459 -0.132 -9.821 1.00 0.00 N ATOM 952 CA SER A 60 -1.842 -1.048 -8.756 1.00 0.00 C ATOM 953 C SER A 60 -2.170 -0.300 -7.468 1.00 0.00 C ATOM 954 O SER A 60 -3.212 -0.529 -6.860 1.00 0.00 O ATOM 955 CB SER A 60 -0.708 -2.045 -8.517 1.00 0.00 C ATOM 956 OG SER A 60 0.512 -1.370 -8.265 1.00 0.00 O ATOM 0 H SER A 60 -0.532 -0.308 -10.209 1.00 0.00 H new ATOM 0 HA SER A 60 -2.742 -1.581 -9.063 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.955 -2.687 -7.671 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.598 -2.692 -9.387 1.00 0.00 H new ATOM 0 HG SER A 60 1.055 -1.359 -9.081 1.00 0.00 H new ATOM 962 N LEU A 61 -1.289 0.612 -7.075 1.00 0.00 N ATOM 963 CA LEU A 61 -1.455 1.346 -5.829 1.00 0.00 C ATOM 964 C LEU A 61 -2.625 2.324 -5.949 1.00 0.00 C ATOM 965 O LEU A 61 -3.433 2.451 -5.031 1.00 0.00 O ATOM 966 CB LEU A 61 -0.159 2.092 -5.478 1.00 0.00 C ATOM 967 CG LEU A 61 0.252 2.074 -3.995 1.00 0.00 C ATOM 968 CD1 LEU A 61 -0.886 2.534 -3.102 1.00 0.00 C ATOM 969 CD2 LEU A 61 0.729 0.693 -3.576 1.00 0.00 C ATOM 0 H LEU A 61 -0.452 0.860 -7.602 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.674 0.641 -5.027 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.653 1.663 -6.064 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.265 3.130 -5.792 1.00 0.00 H new ATOM 0 HG LEU A 61 1.080 2.773 -3.878 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.564 2.510 -2.061 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.171 3.551 -3.370 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.742 1.871 -3.233 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.013 0.710 -2.524 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.074 -0.030 -3.724 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.590 0.407 -4.180 1.00 0.00 H new ATOM 981 N SER A 62 -2.723 2.991 -7.095 1.00 0.00 N ATOM 982 CA SER A 62 -3.802 3.946 -7.343 1.00 0.00 C ATOM 983 C SER A 62 -5.164 3.251 -7.278 1.00 0.00 C ATOM 984 O SER A 62 -6.087 3.709 -6.589 1.00 0.00 O ATOM 985 CB SER A 62 -3.608 4.611 -8.711 1.00 0.00 C ATOM 986 OG SER A 62 -4.603 5.587 -8.960 1.00 0.00 O ATOM 0 H SER A 62 -2.067 2.888 -7.869 1.00 0.00 H new ATOM 0 HA SER A 62 -3.773 4.713 -6.569 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.623 5.075 -8.754 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.638 3.852 -9.493 1.00 0.00 H new ATOM 0 HG SER A 62 -4.450 5.993 -9.839 1.00 0.00 H new ATOM 992 N GLN A 63 -5.280 2.129 -7.981 1.00 0.00 N ATOM 993 CA GLN A 63 -6.506 1.350 -7.964 1.00 0.00 C ATOM 994 C GLN A 63 -6.768 0.811 -6.565 1.00 0.00 C ATOM 995 O GLN A 63 -7.917 0.646 -6.158 1.00 0.00 O ATOM 996 CB GLN A 63 -6.428 0.199 -8.966 1.00 0.00 C ATOM 997 CG GLN A 63 -6.335 0.659 -10.416 1.00 0.00 C ATOM 998 CD GLN A 63 -6.283 -0.490 -11.410 1.00 0.00 C ATOM 999 OE1 GLN A 63 -5.698 -1.613 -11.009 1.00 0.00 O flip ATOM 1000 NE2 GLN A 63 -6.756 -0.366 -12.540 1.00 0.00 N flip ATOM 0 H GLN A 63 -4.540 1.742 -8.567 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.331 2.002 -8.251 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.560 -0.417 -8.732 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -7.308 -0.433 -8.850 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -7.194 1.290 -10.645 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -5.445 1.276 -10.538 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -7.198 0.511 -12.814 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -6.706 -1.141 -13.202 1.00 0.00 H new ATOM 1009 N TRP A 64 -5.697 0.550 -5.823 1.00 0.00 N ATOM 1010 CA TRP A 64 -5.832 0.069 -4.462 1.00 0.00 C ATOM 1011 C TRP A 64 -6.358 1.165 -3.548 1.00 0.00 C ATOM 1012 O TRP A 64 -7.091 0.878 -2.617 1.00 0.00 O ATOM 1013 CB TRP A 64 -4.511 -0.503 -3.925 1.00 0.00 C ATOM 1014 CG TRP A 64 -4.639 -1.040 -2.528 1.00 0.00 C ATOM 1015 CD1 TRP A 64 -3.813 -0.796 -1.466 1.00 0.00 C ATOM 1016 CD2 TRP A 64 -5.677 -1.896 -2.038 1.00 0.00 C ATOM 1017 NE1 TRP A 64 -4.281 -1.442 -0.348 1.00 0.00 N ATOM 1018 CE2 TRP A 64 -5.422 -2.122 -0.675 1.00 0.00 C ATOM 1019 CE3 TRP A 64 -6.798 -2.492 -2.621 1.00 0.00 C ATOM 1020 CZ2 TRP A 64 -6.251 -2.909 0.111 1.00 0.00 C ATOM 1021 CZ3 TRP A 64 -7.616 -3.272 -1.842 1.00 0.00 C ATOM 1022 CH2 TRP A 64 -7.343 -3.475 -0.488 1.00 0.00 C ATOM 0 H TRP A 64 -4.735 0.664 -6.142 1.00 0.00 H new ATOM 0 HA TRP A 64 -6.558 -0.744 -4.476 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -4.169 -1.299 -4.586 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -3.749 0.276 -3.942 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -2.923 -0.185 -1.501 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -3.848 -1.419 0.575 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -7.017 -2.341 -3.668 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -6.042 -3.069 1.158 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -8.485 -3.736 -2.284 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -8.008 -4.092 0.099 1.00 0.00 H new ATOM 1033 N PHE A 65 -6.005 2.413 -3.819 1.00 0.00 N ATOM 1034 CA PHE A 65 -6.561 3.530 -3.062 1.00 0.00 C ATOM 1035 C PHE A 65 -8.089 3.493 -3.101 1.00 0.00 C ATOM 1036 O PHE A 65 -8.757 3.639 -2.074 1.00 0.00 O ATOM 1037 CB PHE A 65 -6.051 4.865 -3.609 1.00 0.00 C ATOM 1038 CG PHE A 65 -4.824 5.379 -2.918 1.00 0.00 C ATOM 1039 CD1 PHE A 65 -4.938 6.133 -1.762 1.00 0.00 C ATOM 1040 CD2 PHE A 65 -3.560 5.124 -3.427 1.00 0.00 C ATOM 1041 CE1 PHE A 65 -3.815 6.620 -1.123 1.00 0.00 C ATOM 1042 CE2 PHE A 65 -2.434 5.612 -2.791 1.00 0.00 C ATOM 1043 CZ PHE A 65 -2.563 6.361 -1.639 1.00 0.00 C ATOM 0 H PHE A 65 -5.344 2.678 -4.549 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.234 3.435 -2.027 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.836 4.752 -4.672 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.843 5.608 -3.521 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.916 6.343 -1.356 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -3.454 4.539 -4.329 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -3.917 7.203 -0.220 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.454 5.407 -3.195 1.00 0.00 H new ATOM 0 HZ PHE A 65 -1.684 6.744 -1.142 1.00 0.00 H new ATOM 1053 N GLU A 66 -8.637 3.266 -4.285 1.00 0.00 N ATOM 1054 CA GLU A 66 -10.084 3.159 -4.444 1.00 0.00 C ATOM 1055 C GLU A 66 -10.610 1.854 -3.836 1.00 0.00 C ATOM 1056 O GLU A 66 -11.599 1.838 -3.092 1.00 0.00 O ATOM 1057 CB GLU A 66 -10.448 3.236 -5.928 1.00 0.00 C ATOM 1058 CG GLU A 66 -10.130 4.582 -6.566 1.00 0.00 C ATOM 1059 CD GLU A 66 -11.059 5.684 -6.093 1.00 0.00 C ATOM 1060 OE1 GLU A 66 -11.040 6.014 -4.890 1.00 0.00 O ATOM 1061 OE2 GLU A 66 -11.833 6.205 -6.921 1.00 0.00 O ATOM 0 H GLU A 66 -8.106 3.152 -5.149 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.552 3.989 -3.914 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.913 2.453 -6.466 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.512 3.031 -6.043 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.100 4.855 -6.335 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.201 4.492 -7.650 1.00 0.00 H new ATOM 1068 N HIS A 67 -9.925 0.760 -4.139 1.00 0.00 N ATOM 1069 CA HIS A 67 -10.363 -0.557 -3.695 1.00 0.00 C ATOM 1070 C HIS A 67 -10.255 -0.713 -2.179 1.00 0.00 C ATOM 1071 O HIS A 67 -11.072 -1.398 -1.571 1.00 0.00 O ATOM 1072 CB HIS A 67 -9.574 -1.666 -4.402 1.00 0.00 C ATOM 1073 CG HIS A 67 -10.016 -1.922 -5.812 1.00 0.00 C ATOM 1074 ND1 HIS A 67 -10.058 -3.181 -6.365 1.00 0.00 N ATOM 1075 CD2 HIS A 67 -10.427 -1.075 -6.784 1.00 0.00 C ATOM 1076 CE1 HIS A 67 -10.478 -3.098 -7.611 1.00 0.00 C ATOM 1077 NE2 HIS A 67 -10.708 -1.831 -7.893 1.00 0.00 N ATOM 0 H HIS A 67 -9.066 0.758 -4.689 1.00 0.00 H new ATOM 0 HA HIS A 67 -11.415 -0.650 -3.964 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -8.517 -1.401 -4.406 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -9.669 -2.588 -3.829 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -9.804 -4.044 -5.885 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -10.517 -0.002 -6.702 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -10.611 -3.929 -8.288 1.00 0.00 H new ATOM 1086 N GLN A 68 -9.264 -0.071 -1.567 1.00 0.00 N ATOM 1087 CA GLN A 68 -9.093 -0.145 -0.119 1.00 0.00 C ATOM 1088 C GLN A 68 -10.205 0.622 0.574 1.00 0.00 C ATOM 1089 O GLN A 68 -10.608 0.275 1.683 1.00 0.00 O ATOM 1090 CB GLN A 68 -7.726 0.403 0.314 1.00 0.00 C ATOM 1091 CG GLN A 68 -7.598 1.916 0.210 1.00 0.00 C ATOM 1092 CD GLN A 68 -6.194 2.414 0.489 1.00 0.00 C ATOM 1093 OE1 GLN A 68 -5.197 1.617 0.139 1.00 0.00 O flip ATOM 1094 NE2 GLN A 68 -6.002 3.513 1.002 1.00 0.00 N flip ATOM 0 H GLN A 68 -8.571 0.503 -2.047 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.140 -1.194 0.172 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -7.537 0.104 1.345 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -6.952 -0.059 -0.299 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -7.897 2.232 -0.789 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -8.289 2.382 0.912 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -6.795 4.101 1.259 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -5.050 3.838 1.171 1.00 0.00 H new ATOM 1103 N GLU A 69 -10.717 1.653 -0.098 1.00 0.00 N ATOM 1104 CA GLU A 69 -11.823 2.432 0.449 1.00 0.00 C ATOM 1105 C GLU A 69 -13.065 1.555 0.595 1.00 0.00 C ATOM 1106 O GLU A 69 -13.914 1.792 1.459 1.00 0.00 O ATOM 1107 CB GLU A 69 -12.132 3.650 -0.435 1.00 0.00 C ATOM 1108 CG GLU A 69 -13.283 4.503 0.087 1.00 0.00 C ATOM 1109 CD GLU A 69 -13.573 5.712 -0.783 1.00 0.00 C ATOM 1110 OE1 GLU A 69 -14.061 5.533 -1.918 1.00 0.00 O ATOM 1111 OE2 GLU A 69 -13.339 6.851 -0.327 1.00 0.00 O ATOM 0 H GLU A 69 -10.387 1.964 -1.012 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.528 2.795 1.433 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.238 4.269 -0.513 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.371 3.307 -1.442 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -14.181 3.888 0.155 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.049 4.838 1.097 1.00 0.00 H new ATOM 1118 N ARG A 70 -13.165 0.525 -0.237 1.00 0.00 N ATOM 1119 CA ARG A 70 -14.311 -0.375 -0.167 1.00 0.00 C ATOM 1120 C ARG A 70 -13.939 -1.751 0.402 1.00 0.00 C ATOM 1121 O ARG A 70 -14.721 -2.698 0.291 1.00 0.00 O ATOM 1122 CB ARG A 70 -14.975 -0.526 -1.542 1.00 0.00 C ATOM 1123 CG ARG A 70 -14.055 -1.035 -2.638 1.00 0.00 C ATOM 1124 CD ARG A 70 -14.836 -1.367 -3.902 1.00 0.00 C ATOM 1125 NE ARG A 70 -15.733 -2.508 -3.703 1.00 0.00 N ATOM 1126 CZ ARG A 70 -16.528 -3.014 -4.649 1.00 0.00 C ATOM 1127 NH1 ARG A 70 -16.624 -2.425 -5.835 1.00 0.00 N ATOM 1128 NH2 ARG A 70 -17.251 -4.100 -4.393 1.00 0.00 N ATOM 0 H ARG A 70 -12.480 0.294 -0.956 1.00 0.00 H new ATOM 0 HA ARG A 70 -15.025 0.078 0.521 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -15.820 -1.208 -1.449 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -15.378 0.441 -1.844 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -13.300 -0.282 -2.861 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -13.527 -1.923 -2.290 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -15.417 -0.497 -4.209 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -14.140 -1.588 -4.712 1.00 0.00 H new ATOM 0 HE ARG A 70 -15.751 -2.945 -2.781 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -16.088 -1.579 -6.029 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -17.234 -2.818 -6.552 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -17.197 -4.544 -3.476 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -17.859 -4.489 -5.113 1.00 0.00 H new ATOM 1142 N LYS A 71 -12.769 -1.862 1.029 1.00 0.00 N ATOM 1143 CA LYS A 71 -12.355 -3.123 1.653 1.00 0.00 C ATOM 1144 C LYS A 71 -11.743 -2.873 3.027 1.00 0.00 C ATOM 1145 O LYS A 71 -11.953 -1.809 3.610 1.00 0.00 O ATOM 1146 CB LYS A 71 -11.359 -3.860 0.765 1.00 0.00 C ATOM 1147 CG LYS A 71 -11.919 -4.199 -0.595 1.00 0.00 C ATOM 1148 CD LYS A 71 -10.904 -4.913 -1.449 1.00 0.00 C ATOM 1149 CE LYS A 71 -11.277 -4.825 -2.911 1.00 0.00 C ATOM 1150 NZ LYS A 71 -12.503 -5.610 -3.226 1.00 0.00 N ATOM 0 H LYS A 71 -12.094 -1.103 1.120 1.00 0.00 H new ATOM 0 HA LYS A 71 -13.243 -3.744 1.776 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -10.467 -3.246 0.642 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.047 -4.778 1.263 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -12.804 -4.825 -0.479 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.239 -3.285 -1.096 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.918 -4.475 -1.293 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -10.839 -5.959 -1.148 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -11.436 -3.781 -3.182 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.448 -5.189 -3.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -12.269 -6.361 -3.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -12.875 -6.037 -2.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -13.222 -4.981 -3.638 1.00 0.00 H new ATOM 1164 N LEU A 72 -10.961 -3.847 3.520 1.00 0.00 N ATOM 1165 CA LEU A 72 -10.402 -3.808 4.873 1.00 0.00 C ATOM 1166 C LEU A 72 -11.498 -3.679 5.933 1.00 0.00 C ATOM 1167 O LEU A 72 -11.945 -4.675 6.505 1.00 0.00 O ATOM 1168 CB LEU A 72 -9.391 -2.663 5.024 1.00 0.00 C ATOM 1169 CG LEU A 72 -8.047 -2.851 4.311 1.00 0.00 C ATOM 1170 CD1 LEU A 72 -8.223 -2.929 2.805 1.00 0.00 C ATOM 1171 CD2 LEU A 72 -7.114 -1.715 4.670 1.00 0.00 C ATOM 0 H LEU A 72 -10.702 -4.679 2.991 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.885 -4.755 5.029 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -9.851 -1.748 4.652 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.198 -2.514 6.086 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.615 -3.795 4.644 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.250 -3.062 2.331 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.866 -3.773 2.557 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.679 -2.007 2.444 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.160 -1.853 4.161 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -7.557 -0.769 4.360 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.952 -1.704 5.748 1.00 0.00 H new ATOM 1183 N HIS A 73 -11.929 -2.449 6.169 1.00 0.00 N ATOM 1184 CA HIS A 73 -12.933 -2.144 7.181 1.00 0.00 C ATOM 1185 C HIS A 73 -13.342 -0.679 7.070 1.00 0.00 C ATOM 1186 O HIS A 73 -14.263 -0.222 7.743 1.00 0.00 O ATOM 1187 CB HIS A 73 -12.365 -2.420 8.580 1.00 0.00 C ATOM 1188 CG HIS A 73 -13.364 -2.310 9.695 1.00 0.00 C ATOM 1189 ND1 HIS A 73 -13.596 -1.140 10.389 1.00 0.00 N ATOM 1190 CD2 HIS A 73 -14.182 -3.236 10.250 1.00 0.00 C ATOM 1191 CE1 HIS A 73 -14.505 -1.352 11.316 1.00 0.00 C ATOM 1192 NE2 HIS A 73 -14.879 -2.613 11.256 1.00 0.00 N ATOM 0 H HIS A 73 -11.592 -1.630 5.663 1.00 0.00 H new ATOM 0 HA HIS A 73 -13.807 -2.776 7.021 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -11.936 -3.422 8.592 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -11.550 -1.722 8.771 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -14.270 -4.272 9.956 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -14.881 -0.615 12.010 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -15.573 -3.055 11.858 1.00 0.00 H new ATOM 1201 N GLY A 74 -12.662 0.050 6.194 1.00 0.00 N ATOM 1202 CA GLY A 74 -12.814 1.489 6.153 1.00 0.00 C ATOM 1203 C GLY A 74 -11.706 2.170 6.927 1.00 0.00 C ATOM 1204 O GLY A 74 -11.556 3.392 6.881 1.00 0.00 O ATOM 0 H GLY A 74 -12.008 -0.332 5.511 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -12.804 1.831 5.118 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -13.781 1.769 6.571 1.00 0.00 H new ATOM 1208 N THR A 75 -10.929 1.356 7.635 1.00 0.00 N ATOM 1209 CA THR A 75 -9.802 1.823 8.420 1.00 0.00 C ATOM 1210 C THR A 75 -8.593 2.096 7.536 1.00 0.00 C ATOM 1211 O THR A 75 -7.951 1.172 7.036 1.00 0.00 O ATOM 1212 CB THR A 75 -9.434 0.788 9.497 1.00 0.00 C ATOM 1213 OG1 THR A 75 -9.829 -0.525 9.065 1.00 0.00 O ATOM 1214 CG2 THR A 75 -10.100 1.116 10.825 1.00 0.00 C ATOM 0 H THR A 75 -11.069 0.347 7.677 1.00 0.00 H new ATOM 0 HA THR A 75 -10.095 2.755 8.902 1.00 0.00 H new ATOM 0 HB THR A 75 -8.354 0.816 9.642 1.00 0.00 H new ATOM 0 HG1 THR A 75 -9.591 -1.181 9.753 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.821 0.367 11.566 1.00 0.00 H new ATOM 0 HG22 THR A 75 -9.774 2.100 11.162 1.00 0.00 H new ATOM 0 HG23 THR A 75 -11.183 1.116 10.699 1.00 0.00 H new ATOM 1222 N LEU A 76 -8.296 3.367 7.339 1.00 0.00 N ATOM 1223 CA LEU A 76 -7.177 3.774 6.518 1.00 0.00 C ATOM 1224 C LEU A 76 -6.378 4.832 7.255 1.00 0.00 C ATOM 1225 O LEU A 76 -6.936 5.614 8.028 1.00 0.00 O ATOM 1226 CB LEU A 76 -7.652 4.328 5.169 1.00 0.00 C ATOM 1227 CG LEU A 76 -8.494 3.372 4.319 1.00 0.00 C ATOM 1228 CD1 LEU A 76 -9.002 4.081 3.076 1.00 0.00 C ATOM 1229 CD2 LEU A 76 -7.684 2.145 3.931 1.00 0.00 C ATOM 0 H LEU A 76 -8.823 4.141 7.743 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.553 2.902 6.323 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -8.234 5.231 5.352 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.777 4.625 4.590 1.00 0.00 H new ATOM 0 HG LEU A 76 -9.349 3.047 4.912 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -9.599 3.390 2.481 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -9.617 4.932 3.368 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -8.155 4.431 2.485 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -8.300 1.478 3.328 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -6.811 2.452 3.355 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -7.360 1.623 4.831 1.00 0.00 H new ATOM 1241 N PRO A 77 -5.065 4.858 7.045 1.00 0.00 N ATOM 1242 CA PRO A 77 -4.192 5.840 7.668 1.00 0.00 C ATOM 1243 C PRO A 77 -4.179 7.150 6.890 1.00 0.00 C ATOM 1244 O PRO A 77 -4.841 7.275 5.858 1.00 0.00 O ATOM 1245 CB PRO A 77 -2.841 5.142 7.605 1.00 0.00 C ATOM 1246 CG PRO A 77 -2.888 4.380 6.325 1.00 0.00 C ATOM 1247 CD PRO A 77 -4.320 3.933 6.169 1.00 0.00 C ATOM 0 HA PRO A 77 -4.496 6.122 8.676 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -2.020 5.859 7.612 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.694 4.480 8.458 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -2.579 5.004 5.486 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -2.212 3.526 6.353 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -4.653 4.005 5.133 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -4.453 2.895 6.475 1.00 0.00 H new ATOM 1255 N LYS A 78 -3.424 8.124 7.366 1.00 0.00 N ATOM 1256 CA LYS A 78 -3.353 9.406 6.693 1.00 0.00 C ATOM 1257 C LYS A 78 -2.248 9.365 5.643 1.00 0.00 C ATOM 1258 O LYS A 78 -1.276 10.116 5.700 1.00 0.00 O ATOM 1259 CB LYS A 78 -3.127 10.534 7.703 1.00 0.00 C ATOM 1260 CG LYS A 78 -3.578 11.893 7.193 1.00 0.00 C ATOM 1261 CD LYS A 78 -5.034 11.849 6.747 1.00 0.00 C ATOM 1262 CE LYS A 78 -5.541 13.216 6.316 1.00 0.00 C ATOM 1263 NZ LYS A 78 -6.895 13.132 5.702 1.00 0.00 N ATOM 0 H LYS A 78 -2.856 8.052 8.210 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.300 9.607 6.192 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -3.663 10.302 8.623 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -2.068 10.581 7.955 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.456 12.639 7.978 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.947 12.201 6.359 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -5.138 11.147 5.920 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -5.652 11.474 7.563 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -5.573 13.881 7.179 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.844 13.654 5.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.208 14.083 5.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -6.859 12.517 4.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.565 12.737 6.392 1.00 0.00 H new ATOM 1277 N LEU A 79 -2.415 8.457 4.692 1.00 0.00 N ATOM 1278 CA LEU A 79 -1.444 8.251 3.622 1.00 0.00 C ATOM 1279 C LEU A 79 -1.726 9.174 2.447 1.00 0.00 C ATOM 1280 O LEU A 79 -1.243 8.958 1.335 1.00 0.00 O ATOM 1281 CB LEU A 79 -1.461 6.793 3.160 1.00 0.00 C ATOM 1282 CG LEU A 79 -2.607 6.389 2.222 1.00 0.00 C ATOM 1283 CD1 LEU A 79 -2.340 5.018 1.655 1.00 0.00 C ATOM 1284 CD2 LEU A 79 -3.956 6.393 2.927 1.00 0.00 C ATOM 0 H LEU A 79 -3.227 7.841 4.639 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.455 8.486 4.014 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.517 6.583 2.657 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.501 6.155 4.043 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.650 7.127 1.421 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.155 4.734 0.990 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.404 5.031 1.097 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.267 4.296 2.468 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.735 6.101 2.223 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.934 5.688 3.758 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.166 7.393 3.306 1.00 0.00 H new ATOM 1296 N ASN A 80 -2.483 10.221 2.731 1.00 0.00 N ATOM 1297 CA ASN A 80 -2.909 11.192 1.729 1.00 0.00 C ATOM 1298 C ASN A 80 -3.693 10.511 0.614 1.00 0.00 C ATOM 1299 O ASN A 80 -3.240 10.434 -0.528 1.00 0.00 O ATOM 1300 CB ASN A 80 -1.712 11.949 1.142 1.00 0.00 C ATOM 1301 CG ASN A 80 -0.884 12.648 2.201 1.00 0.00 C ATOM 1302 OD1 ASN A 80 -1.394 13.045 3.248 1.00 0.00 O ATOM 1303 ND2 ASN A 80 0.401 12.802 1.934 1.00 0.00 N ATOM 0 H ASN A 80 -2.824 10.425 3.671 1.00 0.00 H new ATOM 0 HA ASN A 80 -3.559 11.912 2.227 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -1.079 11.251 0.595 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -2.071 12.685 0.423 1.00 0.00 H new ATOM 0 HD21 ASN A 80 1.010 13.265 2.609 1.00 0.00 H new ATOM 0 HD22 ASN A 80 0.784 12.458 1.053 1.00 0.00 H new ATOM 1310 N PHE A 81 -4.880 10.025 0.948 1.00 0.00 N ATOM 1311 CA PHE A 81 -5.725 9.340 -0.025 1.00 0.00 C ATOM 1312 C PHE A 81 -6.541 10.340 -0.838 1.00 0.00 C ATOM 1313 O PHE A 81 -7.551 9.990 -1.445 1.00 0.00 O ATOM 1314 CB PHE A 81 -6.648 8.325 0.669 1.00 0.00 C ATOM 1315 CG PHE A 81 -7.352 8.853 1.891 1.00 0.00 C ATOM 1316 CD1 PHE A 81 -8.482 9.647 1.774 1.00 0.00 C ATOM 1317 CD2 PHE A 81 -6.885 8.541 3.157 1.00 0.00 C ATOM 1318 CE1 PHE A 81 -9.129 10.124 2.899 1.00 0.00 C ATOM 1319 CE2 PHE A 81 -7.527 9.014 4.285 1.00 0.00 C ATOM 1320 CZ PHE A 81 -8.651 9.805 4.156 1.00 0.00 C ATOM 0 H PHE A 81 -5.281 10.091 1.884 1.00 0.00 H new ATOM 0 HA PHE A 81 -5.074 8.796 -0.710 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -7.396 7.985 -0.047 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -6.059 7.453 0.953 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -8.861 9.896 0.794 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -6.008 7.920 3.264 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -10.007 10.745 2.796 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -7.150 8.765 5.266 1.00 0.00 H new ATOM 0 HZ PHE A 81 -9.156 10.174 5.036 1.00 0.00 H new ATOM 1330 N GLY A 82 -6.083 11.580 -0.862 1.00 0.00 N ATOM 1331 CA GLY A 82 -6.758 12.609 -1.619 1.00 0.00 C ATOM 1332 C GLY A 82 -5.794 13.400 -2.472 1.00 0.00 C ATOM 1333 O GLY A 82 -5.803 14.631 -2.455 1.00 0.00 O ATOM 0 H GLY A 82 -5.249 11.894 -0.366 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.517 12.154 -2.255 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.276 13.282 -0.936 1.00 0.00 H new ATOM 1337 N MET A 83 -4.935 12.693 -3.197 1.00 0.00 N ATOM 1338 CA MET A 83 -3.976 13.343 -4.084 1.00 0.00 C ATOM 1339 C MET A 83 -3.745 12.525 -5.356 1.00 0.00 C ATOM 1340 O MET A 83 -2.908 12.885 -6.184 1.00 0.00 O ATOM 1341 CB MET A 83 -2.641 13.563 -3.360 1.00 0.00 C ATOM 1342 CG MET A 83 -1.916 12.274 -3.007 1.00 0.00 C ATOM 1343 SD MET A 83 -0.368 12.558 -2.129 1.00 0.00 S ATOM 1344 CE MET A 83 0.177 10.871 -1.869 1.00 0.00 C ATOM 0 H MET A 83 -4.882 11.674 -3.189 1.00 0.00 H new ATOM 0 HA MET A 83 -4.395 14.308 -4.370 1.00 0.00 H new ATOM 0 HB2 MET A 83 -1.993 14.173 -3.989 1.00 0.00 H new ATOM 0 HB3 MET A 83 -2.823 14.129 -2.446 1.00 0.00 H new ATOM 0 HG2 MET A 83 -2.568 11.653 -2.392 1.00 0.00 H new ATOM 0 HG3 MET A 83 -1.712 11.716 -3.921 1.00 0.00 H new ATOM 0 HE1 MET A 83 0.992 10.859 -1.146 1.00 0.00 H new ATOM 0 HE2 MET A 83 -0.653 10.275 -1.490 1.00 0.00 H new ATOM 0 HE3 MET A 83 0.524 10.451 -2.813 1.00 0.00 H new ATOM 1354 N LEU A 84 -4.486 11.428 -5.520 1.00 0.00 N ATOM 1355 CA LEU A 84 -4.274 10.542 -6.669 1.00 0.00 C ATOM 1356 C LEU A 84 -5.455 9.609 -6.947 1.00 0.00 C ATOM 1357 O LEU A 84 -5.351 8.716 -7.783 1.00 0.00 O ATOM 1358 CB LEU A 84 -2.989 9.716 -6.502 1.00 0.00 C ATOM 1359 CG LEU A 84 -2.689 9.201 -5.092 1.00 0.00 C ATOM 1360 CD1 LEU A 84 -3.907 8.539 -4.487 1.00 0.00 C ATOM 1361 CD2 LEU A 84 -1.530 8.228 -5.144 1.00 0.00 C ATOM 0 H LEU A 84 -5.227 11.134 -4.884 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.177 11.201 -7.532 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.044 8.860 -7.174 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.146 10.325 -6.830 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.421 10.047 -4.460 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.667 8.182 -3.485 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -4.722 9.260 -4.430 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -4.210 7.697 -5.109 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.317 7.862 -4.140 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.789 7.388 -5.789 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.649 8.732 -5.541 1.00 0.00 H new ATOM 1373 N ARG A 85 -6.582 9.824 -6.291 1.00 0.00 N ATOM 1374 CA ARG A 85 -7.697 8.894 -6.432 1.00 0.00 C ATOM 1375 C ARG A 85 -8.633 9.340 -7.532 1.00 0.00 C ATOM 1376 O ARG A 85 -9.311 10.361 -7.402 1.00 0.00 O ATOM 1377 CB ARG A 85 -8.466 8.722 -5.132 1.00 0.00 C ATOM 1378 CG ARG A 85 -7.741 7.863 -4.115 1.00 0.00 C ATOM 1379 CD ARG A 85 -8.702 7.249 -3.117 1.00 0.00 C ATOM 1380 NE ARG A 85 -9.382 8.254 -2.310 1.00 0.00 N ATOM 1381 CZ ARG A 85 -10.668 8.192 -1.985 1.00 0.00 C ATOM 1382 NH1 ARG A 85 -11.443 7.259 -2.523 1.00 0.00 N ATOM 1383 NH2 ARG A 85 -11.193 9.097 -1.168 1.00 0.00 N ATOM 0 H ARG A 85 -6.752 10.614 -5.668 1.00 0.00 H new ATOM 0 HA ARG A 85 -7.271 7.926 -6.697 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -8.656 9.704 -4.698 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -9.436 8.275 -5.348 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -7.195 7.072 -4.629 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -7.004 8.468 -3.587 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -9.443 6.653 -3.650 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -8.157 6.569 -2.462 1.00 0.00 H new ATOM 0 HE ARG A 85 -8.839 9.050 -1.976 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -11.051 6.590 -3.186 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -12.431 7.211 -2.274 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -10.608 9.842 -0.789 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -12.181 9.048 -0.920 1.00 0.00 H new ATOM 1397 N LYS A 86 -8.652 8.567 -8.619 1.00 0.00 N ATOM 1398 CA LYS A 86 -9.383 8.935 -9.825 1.00 0.00 C ATOM 1399 C LYS A 86 -8.875 10.285 -10.312 1.00 0.00 C ATOM 1400 O LYS A 86 -9.572 11.039 -10.995 1.00 0.00 O ATOM 1401 CB LYS A 86 -10.886 8.965 -9.546 1.00 0.00 C ATOM 1402 CG LYS A 86 -11.722 8.824 -10.800 1.00 0.00 C ATOM 1403 CD LYS A 86 -13.168 8.485 -10.479 1.00 0.00 C ATOM 1404 CE LYS A 86 -13.264 7.215 -9.644 1.00 0.00 C ATOM 1405 NZ LYS A 86 -14.671 6.795 -9.413 1.00 0.00 N ATOM 0 H LYS A 86 -8.163 7.674 -8.685 1.00 0.00 H new ATOM 0 HA LYS A 86 -9.216 8.194 -10.607 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -11.138 8.160 -8.855 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -11.140 9.902 -9.050 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.684 9.753 -11.368 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -11.298 8.045 -11.434 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -13.627 9.313 -9.940 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -13.729 8.358 -11.405 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -12.725 6.411 -10.146 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -12.773 7.376 -8.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -14.685 5.927 -8.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -15.180 7.549 -8.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -15.134 6.614 -10.327 1.00 0.00 H new ATOM 1419 N MET A 87 -7.619 10.545 -9.959 1.00 0.00 N ATOM 1420 CA MET A 87 -6.977 11.832 -10.172 1.00 0.00 C ATOM 1421 C MET A 87 -7.698 12.900 -9.371 1.00 0.00 C ATOM 1422 O MET A 87 -8.501 13.672 -9.895 1.00 0.00 O ATOM 1423 CB MET A 87 -6.892 12.202 -11.653 1.00 0.00 C ATOM 1424 CG MET A 87 -5.687 11.604 -12.368 1.00 0.00 C ATOM 1425 SD MET A 87 -5.767 9.807 -12.564 1.00 0.00 S ATOM 1426 CE MET A 87 -4.939 9.245 -11.075 1.00 0.00 C ATOM 0 H MET A 87 -7.014 9.857 -9.512 1.00 0.00 H new ATOM 0 HA MET A 87 -5.948 11.759 -9.820 1.00 0.00 H new ATOM 0 HB2 MET A 87 -7.801 11.870 -12.154 1.00 0.00 H new ATOM 0 HB3 MET A 87 -6.856 13.287 -11.745 1.00 0.00 H new ATOM 0 HG2 MET A 87 -5.596 12.063 -13.352 1.00 0.00 H new ATOM 0 HG3 MET A 87 -4.784 11.859 -11.813 1.00 0.00 H new ATOM 0 HE1 MET A 87 -4.053 8.670 -11.346 1.00 0.00 H new ATOM 0 HE2 MET A 87 -4.643 10.106 -10.476 1.00 0.00 H new ATOM 0 HE3 MET A 87 -5.617 8.616 -10.497 1.00 0.00 H new ATOM 1436 N GLY A 88 -7.440 12.875 -8.078 1.00 0.00 N ATOM 1437 CA GLY A 88 -8.055 13.797 -7.158 1.00 0.00 C ATOM 1438 C GLY A 88 -7.427 13.678 -5.790 1.00 0.00 C ATOM 1439 O GLY A 88 -6.506 14.454 -5.493 1.00 0.00 O ATOM 1440 OXT GLY A 88 -7.816 12.760 -5.034 1.00 0.00 O ATOM 0 H GLY A 88 -6.798 12.214 -7.641 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -7.945 14.816 -7.528 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -9.124 13.596 -7.092 1.00 0.00 H new TER 1444 GLY A 88