USER MOD reduce.3.24.130724 H: found=0, std=0, add=1004, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1004 hydrogens (31 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 201 ACD HO2 : A 201 ACD O2 : A 201 ACD C1 :(short bond) USER MOD Set 1.1: A 71 GLN : amide:sc= -0.464! K(o=-1.6!,f=-4.1) USER MOD Set 1.2: A 119 SER OG : rot -101:sc= -1.13! USER MOD Set 2.1: A 6 SER OG : rot 48:sc= 0.263 USER MOD Set 2.2: A 54 MET CE :methyl -123:sc= -0.827 (180deg=-1.1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -174:sc= -0.164 (180deg=-0.184) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -72:sc= 1.25 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.675 K(o=-0.67,f=-1.9!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 86:sc= 1.26 USER MOD Single : A 20 SER OG : rot 79:sc= 0.319 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.0781 K(o=-0.078,f=-1.9!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 98:sc= 1.22 USER MOD Single : A 43 THR OG1 : rot 82:sc= 0.135 USER MOD Single : A 44 MET CE :methyl -155:sc= 0 (180deg=-0.316) USER MOD Single : A 46 TYR OH : rot -140:sc= 0.835 USER MOD Single : A 48 LYS NZ :NH3+ -152:sc= 1.3 (180deg=0.841) USER MOD Single : A 52 ASN : amide:sc= -0.474 X(o=-0.47,f=-0.0065) USER MOD Single : A 53 LYS NZ :NH3+ -170:sc= 1.29 (180deg=1.13) USER MOD Single : A 55 GLN : amide:sc= -0.0078 K(o=-0.0078,f=-0.95) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 1.03 K(o=1,f=-2.4!) USER MOD Single : A 70 HIS :FLIP no HE2:sc= 0.209 F(o=-0.72,f=0.21) USER MOD Single : A 74 HIS : no HE2:sc= 0.0686 X(o=0.069,f=-0.3) USER MOD Single : A 83 THR OG1 : rot 80:sc= 0.544 USER MOD Single : A 87 LYS NZ :NH3+ 172:sc= 1.22 (180deg=1.03) USER MOD Single : A 91 LYS NZ :NH3+ -162:sc= -0.0439 (180deg=-0.329) USER MOD Single : A 92 ASN : amide:sc=-0.00655 K(o=-0.0066,f=-1.8) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 ASN : amide:sc= -0.0725 K(o=-0.073,f=-1.8) USER MOD Single : A 99 HIS : no HD1:sc= -0.37 X(o=-0.37,f=0.061) USER MOD Single : A 106 LYS NZ :NH3+ -169:sc=-0.00449 (180deg=-0.114) USER MOD Single : A 109 GLN : amide:sc= -0.075 K(o=-0.075,f=-2.7!) USER MOD Single : A 110 LYS NZ :NH3+ 163:sc= -0.0656 (180deg=-0.364) USER MOD Single : A 111 ASN : amide:sc= 0.0856 X(o=0.086,f=0) USER MOD Single : A 112 ASN : amide:sc= 1.23 K(o=1.2,f=-0.43) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ -142:sc= 0.354 (180deg=-0.0912) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.371 9.274 -16.060 1.00 0.00 N ATOM 2 CA MET A 1 14.560 8.585 -15.499 1.00 0.00 C ATOM 3 C MET A 1 14.715 8.881 -14.007 1.00 0.00 C ATOM 4 O MET A 1 15.274 8.079 -13.261 1.00 0.00 O ATOM 5 CB MET A 1 15.832 9.007 -16.243 1.00 0.00 C ATOM 6 CG MET A 1 16.201 10.469 -16.050 1.00 0.00 C ATOM 7 SD MET A 1 17.726 10.923 -16.890 1.00 0.00 S ATOM 8 CE MET A 1 17.865 12.641 -16.403 1.00 0.00 C ATOM 0 H1 MET A 1 13.231 8.976 -17.047 1.00 0.00 H new ATOM 0 H2 MET A 1 12.530 9.026 -15.501 1.00 0.00 H new ATOM 0 H3 MET A 1 13.518 10.303 -16.026 1.00 0.00 H new ATOM 0 HA MET A 1 14.410 7.513 -15.628 1.00 0.00 H new ATOM 0 HB2 MET A 1 16.662 8.385 -15.906 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.700 8.813 -17.307 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.389 11.095 -16.419 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.304 10.675 -14.985 1.00 0.00 H new ATOM 0 HE1 MET A 1 18.764 13.072 -16.843 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.991 13.190 -16.752 1.00 0.00 H new ATOM 0 HE3 MET A 1 17.925 12.708 -15.317 1.00 0.00 H new ATOM 20 N GLU A 2 14.231 10.039 -13.578 1.00 0.00 N ATOM 21 CA GLU A 2 14.300 10.422 -12.177 1.00 0.00 C ATOM 22 C GLU A 2 13.105 9.861 -11.430 1.00 0.00 C ATOM 23 O GLU A 2 11.987 10.375 -11.553 1.00 0.00 O ATOM 24 CB GLU A 2 14.331 11.941 -12.042 1.00 0.00 C ATOM 25 CG GLU A 2 15.515 12.589 -12.732 1.00 0.00 C ATOM 26 CD GLU A 2 16.820 12.386 -11.991 1.00 0.00 C ATOM 27 OE1 GLU A 2 17.156 13.233 -11.138 1.00 0.00 O ATOM 28 OE2 GLU A 2 17.524 11.394 -12.267 1.00 0.00 O ATOM 0 H GLU A 2 13.786 10.730 -14.183 1.00 0.00 H new ATOM 0 HA GLU A 2 15.215 10.015 -11.747 1.00 0.00 H new ATOM 0 HB2 GLU A 2 13.410 12.353 -12.456 1.00 0.00 H new ATOM 0 HB3 GLU A 2 14.350 12.203 -10.984 1.00 0.00 H new ATOM 0 HG2 GLU A 2 15.609 12.181 -13.739 1.00 0.00 H new ATOM 0 HG3 GLU A 2 15.326 13.657 -12.837 1.00 0.00 H new ATOM 35 N PHE A 3 13.338 8.798 -10.677 1.00 0.00 N ATOM 36 CA PHE A 3 12.275 8.162 -9.918 1.00 0.00 C ATOM 37 C PHE A 3 11.705 9.136 -8.902 1.00 0.00 C ATOM 38 O PHE A 3 12.398 9.591 -7.993 1.00 0.00 O ATOM 39 CB PHE A 3 12.772 6.895 -9.218 1.00 0.00 C ATOM 40 CG PHE A 3 11.720 6.226 -8.378 1.00 0.00 C ATOM 41 CD1 PHE A 3 10.824 5.337 -8.945 1.00 0.00 C ATOM 42 CD2 PHE A 3 11.623 6.498 -7.024 1.00 0.00 C ATOM 43 CE1 PHE A 3 9.849 4.729 -8.177 1.00 0.00 C ATOM 44 CE2 PHE A 3 10.651 5.894 -6.249 1.00 0.00 C ATOM 45 CZ PHE A 3 9.762 5.008 -6.826 1.00 0.00 C ATOM 0 H PHE A 3 14.253 8.358 -10.576 1.00 0.00 H new ATOM 0 HA PHE A 3 11.489 7.872 -10.615 1.00 0.00 H new ATOM 0 HB2 PHE A 3 13.129 6.190 -9.969 1.00 0.00 H new ATOM 0 HB3 PHE A 3 13.624 7.148 -8.587 1.00 0.00 H new ATOM 0 HD1 PHE A 3 10.887 5.116 -10.000 1.00 0.00 H new ATOM 0 HD2 PHE A 3 12.315 7.190 -6.568 1.00 0.00 H new ATOM 0 HE1 PHE A 3 9.156 4.037 -8.632 1.00 0.00 H new ATOM 0 HE2 PHE A 3 10.587 6.114 -5.194 1.00 0.00 H new ATOM 0 HZ PHE A 3 9.001 4.535 -6.223 1.00 0.00 H new ATOM 55 N THR A 4 10.440 9.448 -9.065 1.00 0.00 N ATOM 56 CA THR A 4 9.782 10.395 -8.199 1.00 0.00 C ATOM 57 C THR A 4 9.000 9.669 -7.122 1.00 0.00 C ATOM 58 O THR A 4 8.151 8.821 -7.408 1.00 0.00 O ATOM 59 CB THR A 4 8.847 11.312 -8.996 1.00 0.00 C ATOM 60 OG1 THR A 4 9.216 11.284 -10.386 1.00 0.00 O ATOM 61 CG2 THR A 4 8.949 12.731 -8.473 1.00 0.00 C ATOM 0 H THR A 4 9.844 9.056 -9.794 1.00 0.00 H new ATOM 0 HA THR A 4 10.549 11.011 -7.729 1.00 0.00 H new ATOM 0 HB THR A 4 7.821 10.962 -8.885 1.00 0.00 H new ATOM 0 HG1 THR A 4 8.617 11.869 -10.895 1.00 0.00 H new ATOM 0 HG21 THR A 4 8.282 13.378 -9.043 1.00 0.00 H new ATOM 0 HG22 THR A 4 8.663 12.753 -7.421 1.00 0.00 H new ATOM 0 HG23 THR A 4 9.975 13.085 -8.578 1.00 0.00 H new ATOM 69 N VAL A 5 9.311 9.994 -5.881 1.00 0.00 N ATOM 70 CA VAL A 5 8.685 9.335 -4.746 1.00 0.00 C ATOM 71 C VAL A 5 7.396 10.061 -4.387 1.00 0.00 C ATOM 72 O VAL A 5 7.289 11.282 -4.538 1.00 0.00 O ATOM 73 CB VAL A 5 9.630 9.256 -3.509 1.00 0.00 C ATOM 74 CG1 VAL A 5 11.087 9.177 -3.943 1.00 0.00 C ATOM 75 CG2 VAL A 5 9.416 10.405 -2.535 1.00 0.00 C ATOM 0 H VAL A 5 9.993 10.710 -5.632 1.00 0.00 H new ATOM 0 HA VAL A 5 8.463 8.308 -5.037 1.00 0.00 H new ATOM 0 HB VAL A 5 9.375 8.340 -2.976 1.00 0.00 H new ATOM 0 HG11 VAL A 5 11.727 9.123 -3.062 1.00 0.00 H new ATOM 0 HG12 VAL A 5 11.237 8.288 -4.555 1.00 0.00 H new ATOM 0 HG13 VAL A 5 11.343 10.064 -4.523 1.00 0.00 H new ATOM 0 HG21 VAL A 5 10.100 10.300 -1.693 1.00 0.00 H new ATOM 0 HG22 VAL A 5 9.606 11.351 -3.041 1.00 0.00 H new ATOM 0 HG23 VAL A 5 8.388 10.388 -2.172 1.00 0.00 H new ATOM 85 N SER A 6 6.407 9.301 -3.958 1.00 0.00 N ATOM 86 CA SER A 6 5.112 9.854 -3.620 1.00 0.00 C ATOM 87 C SER A 6 5.119 10.446 -2.216 1.00 0.00 C ATOM 88 O SER A 6 5.083 9.717 -1.226 1.00 0.00 O ATOM 89 CB SER A 6 4.052 8.764 -3.731 1.00 0.00 C ATOM 90 OG SER A 6 4.473 7.587 -3.060 1.00 0.00 O ATOM 0 H SER A 6 6.478 8.291 -3.835 1.00 0.00 H new ATOM 0 HA SER A 6 4.881 10.658 -4.318 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.114 9.117 -3.303 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.860 8.542 -4.781 1.00 0.00 H new ATOM 0 HG SER A 6 4.801 7.819 -2.166 1.00 0.00 H new ATOM 96 N THR A 7 5.190 11.764 -2.135 1.00 0.00 N ATOM 97 CA THR A 7 5.105 12.445 -0.858 1.00 0.00 C ATOM 98 C THR A 7 3.644 12.607 -0.452 1.00 0.00 C ATOM 99 O THR A 7 2.750 12.171 -1.180 1.00 0.00 O ATOM 100 CB THR A 7 5.790 13.827 -0.908 1.00 0.00 C ATOM 101 OG1 THR A 7 5.148 14.676 -1.874 1.00 0.00 O ATOM 102 CG2 THR A 7 7.265 13.680 -1.260 1.00 0.00 C ATOM 0 H THR A 7 5.306 12.382 -2.938 1.00 0.00 H new ATOM 0 HA THR A 7 5.626 11.837 -0.118 1.00 0.00 H new ATOM 0 HB THR A 7 5.702 14.282 0.079 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.370 14.369 -2.778 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.732 14.665 -1.291 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.760 13.067 -0.506 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.361 13.203 -2.235 1.00 0.00 H new ATOM 110 N THR A 8 3.394 13.219 0.697 1.00 0.00 N ATOM 111 CA THR A 8 2.029 13.454 1.149 1.00 0.00 C ATOM 112 C THR A 8 1.249 14.258 0.102 1.00 0.00 C ATOM 113 O THR A 8 0.081 13.973 -0.181 1.00 0.00 O ATOM 114 CB THR A 8 2.017 14.199 2.497 1.00 0.00 C ATOM 115 OG1 THR A 8 2.902 13.544 3.419 1.00 0.00 O ATOM 116 CG2 THR A 8 0.613 14.242 3.077 1.00 0.00 C ATOM 0 H THR A 8 4.116 13.561 1.332 1.00 0.00 H new ATOM 0 HA THR A 8 1.548 12.485 1.284 1.00 0.00 H new ATOM 0 HB THR A 8 2.354 15.222 2.330 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.894 14.021 4.275 1.00 0.00 H new ATOM 0 HG21 THR A 8 0.629 14.773 4.029 1.00 0.00 H new ATOM 0 HG22 THR A 8 -0.051 14.759 2.384 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.253 13.225 3.234 1.00 0.00 H new ATOM 124 N GLU A 9 1.930 15.238 -0.490 1.00 0.00 N ATOM 125 CA GLU A 9 1.354 16.086 -1.530 1.00 0.00 C ATOM 126 C GLU A 9 0.876 15.248 -2.717 1.00 0.00 C ATOM 127 O GLU A 9 -0.205 15.473 -3.261 1.00 0.00 O ATOM 128 CB GLU A 9 2.395 17.105 -2.003 1.00 0.00 C ATOM 129 CG GLU A 9 1.857 18.144 -2.972 1.00 0.00 C ATOM 130 CD GLU A 9 0.835 19.065 -2.337 1.00 0.00 C ATOM 131 OE1 GLU A 9 -0.264 19.220 -2.904 1.00 0.00 O ATOM 132 OE2 GLU A 9 1.134 19.648 -1.271 1.00 0.00 O ATOM 0 H GLU A 9 2.898 15.466 -0.261 1.00 0.00 H new ATOM 0 HA GLU A 9 0.495 16.609 -1.110 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.808 17.616 -1.133 1.00 0.00 H new ATOM 0 HB3 GLU A 9 3.218 16.572 -2.480 1.00 0.00 H new ATOM 0 HG2 GLU A 9 2.685 18.738 -3.357 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.404 17.639 -3.825 1.00 0.00 H new ATOM 139 N ASP A 10 1.687 14.270 -3.103 1.00 0.00 N ATOM 140 CA ASP A 10 1.376 13.425 -4.253 1.00 0.00 C ATOM 141 C ASP A 10 0.306 12.410 -3.891 1.00 0.00 C ATOM 142 O ASP A 10 -0.588 12.116 -4.685 1.00 0.00 O ATOM 143 CB ASP A 10 2.620 12.677 -4.746 1.00 0.00 C ATOM 144 CG ASP A 10 3.804 13.583 -5.010 1.00 0.00 C ATOM 145 OD1 ASP A 10 3.809 14.281 -6.044 1.00 0.00 O ATOM 146 OD2 ASP A 10 4.748 13.586 -4.188 1.00 0.00 O ATOM 0 H ASP A 10 2.565 14.041 -2.637 1.00 0.00 H new ATOM 0 HA ASP A 10 1.015 14.077 -5.048 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.903 11.930 -4.005 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.372 12.140 -5.662 1.00 0.00 H new ATOM 151 N LEU A 11 0.402 11.886 -2.678 1.00 0.00 N ATOM 152 CA LEU A 11 -0.480 10.826 -2.221 1.00 0.00 C ATOM 153 C LEU A 11 -1.938 11.273 -2.206 1.00 0.00 C ATOM 154 O LEU A 11 -2.818 10.541 -2.656 1.00 0.00 O ATOM 155 CB LEU A 11 -0.048 10.335 -0.834 1.00 0.00 C ATOM 156 CG LEU A 11 -0.961 9.291 -0.204 1.00 0.00 C ATOM 157 CD1 LEU A 11 -1.006 8.044 -1.065 1.00 0.00 C ATOM 158 CD2 LEU A 11 -0.490 8.956 1.201 1.00 0.00 C ATOM 0 H LEU A 11 1.091 12.183 -1.987 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.401 9.999 -2.927 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.956 9.918 -0.910 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.013 11.193 -0.165 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.969 9.701 -0.139 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.662 7.306 -0.603 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.386 8.298 -2.054 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.002 7.629 -1.158 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.152 8.209 1.638 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.525 8.562 1.160 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.505 9.857 1.814 1.00 0.00 H new ATOM 170 N GLN A 12 -2.194 12.484 -1.720 1.00 0.00 N ATOM 171 CA GLN A 12 -3.562 12.977 -1.623 1.00 0.00 C ATOM 172 C GLN A 12 -4.137 13.249 -3.009 1.00 0.00 C ATOM 173 O GLN A 12 -5.353 13.223 -3.205 1.00 0.00 O ATOM 174 CB GLN A 12 -3.621 14.230 -0.750 1.00 0.00 C ATOM 175 CG GLN A 12 -2.854 15.416 -1.308 1.00 0.00 C ATOM 176 CD GLN A 12 -2.796 16.582 -0.340 1.00 0.00 C ATOM 177 OE1 GLN A 12 -1.833 17.346 -0.328 1.00 0.00 O ATOM 178 NE2 GLN A 12 -3.828 16.732 0.477 1.00 0.00 N ATOM 0 H GLN A 12 -1.481 13.135 -1.391 1.00 0.00 H new ATOM 0 HA GLN A 12 -4.172 12.207 -1.151 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -4.664 14.517 -0.616 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -3.227 13.990 0.238 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -1.840 15.104 -1.556 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -3.323 15.743 -2.236 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -4.609 16.077 0.437 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -3.841 17.502 1.146 1.00 0.00 H new ATOM 187 N ARG A 13 -3.251 13.480 -3.970 1.00 0.00 N ATOM 188 CA ARG A 13 -3.654 13.703 -5.349 1.00 0.00 C ATOM 189 C ARG A 13 -4.227 12.420 -5.942 1.00 0.00 C ATOM 190 O ARG A 13 -5.353 12.403 -6.442 1.00 0.00 O ATOM 191 CB ARG A 13 -2.461 14.175 -6.177 1.00 0.00 C ATOM 192 CG ARG A 13 -2.804 14.477 -7.625 1.00 0.00 C ATOM 193 CD ARG A 13 -1.550 14.662 -8.457 1.00 0.00 C ATOM 194 NE ARG A 13 -1.846 14.849 -9.874 1.00 0.00 N ATOM 195 CZ ARG A 13 -0.923 15.106 -10.799 1.00 0.00 C ATOM 196 NH1 ARG A 13 0.359 15.188 -10.460 1.00 0.00 N ATOM 197 NH2 ARG A 13 -1.280 15.269 -12.066 1.00 0.00 N ATOM 0 H ARG A 13 -2.243 13.517 -3.816 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.423 14.475 -5.369 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.043 15.071 -5.718 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.685 13.410 -6.149 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.401 13.664 -8.038 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -3.415 15.378 -7.677 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.996 15.525 -8.087 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -0.904 13.792 -8.335 1.00 0.00 H new ATOM 0 HE ARG A 13 -2.818 14.779 -10.174 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.639 15.054 -9.488 1.00 0.00 H new ATOM 0 HH12 ARG A 13 1.063 15.385 -11.171 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -2.262 15.198 -12.332 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -0.573 15.466 -12.774 1.00 0.00 H new ATOM 211 N TYR A 14 -3.460 11.336 -5.853 1.00 0.00 N ATOM 212 CA TYR A 14 -3.881 10.052 -6.403 1.00 0.00 C ATOM 213 C TYR A 14 -5.088 9.513 -5.650 1.00 0.00 C ATOM 214 O TYR A 14 -6.011 8.952 -6.243 1.00 0.00 O ATOM 215 CB TYR A 14 -2.739 9.040 -6.340 1.00 0.00 C ATOM 216 CG TYR A 14 -1.534 9.446 -7.161 1.00 0.00 C ATOM 217 CD1 TYR A 14 -1.646 9.623 -8.533 1.00 0.00 C ATOM 218 CD2 TYR A 14 -0.287 9.640 -6.575 1.00 0.00 C ATOM 219 CE1 TYR A 14 -0.556 9.982 -9.300 1.00 0.00 C ATOM 220 CE2 TYR A 14 0.809 10.000 -7.337 1.00 0.00 C ATOM 221 CZ TYR A 14 0.670 10.170 -8.698 1.00 0.00 C ATOM 222 OH TYR A 14 1.761 10.523 -9.461 1.00 0.00 O ATOM 0 H TYR A 14 -2.544 11.322 -5.405 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.158 10.208 -7.445 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -2.435 8.910 -5.301 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.100 8.073 -6.690 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.604 9.477 -9.010 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -0.174 9.507 -5.509 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -0.663 10.115 -10.366 1.00 0.00 H new ATOM 0 HE2 TYR A 14 1.770 10.147 -6.868 1.00 0.00 H new ATOM 0 HH TYR A 14 2.547 10.617 -8.884 1.00 0.00 H new ATOM 232 N ARG A 15 -5.077 9.711 -4.343 1.00 0.00 N ATOM 233 CA ARG A 15 -6.147 9.247 -3.477 1.00 0.00 C ATOM 234 C ARG A 15 -7.460 9.948 -3.819 1.00 0.00 C ATOM 235 O ARG A 15 -8.534 9.352 -3.736 1.00 0.00 O ATOM 236 CB ARG A 15 -5.735 9.464 -2.013 1.00 0.00 C ATOM 237 CG ARG A 15 -6.761 10.174 -1.141 1.00 0.00 C ATOM 238 CD ARG A 15 -6.260 10.285 0.293 1.00 0.00 C ATOM 239 NE ARG A 15 -7.268 10.840 1.192 1.00 0.00 N ATOM 240 CZ ARG A 15 -7.576 10.310 2.375 1.00 0.00 C ATOM 241 NH1 ARG A 15 -6.956 9.213 2.803 1.00 0.00 N ATOM 242 NH2 ARG A 15 -8.502 10.885 3.134 1.00 0.00 N ATOM 0 H ARG A 15 -4.327 10.198 -3.853 1.00 0.00 H new ATOM 0 HA ARG A 15 -6.315 8.181 -3.631 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -5.515 8.493 -1.568 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.809 10.039 -1.996 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -6.960 11.168 -1.540 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -7.704 9.628 -1.161 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -5.963 9.298 0.649 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -5.370 10.914 0.317 1.00 0.00 H new ATOM 0 HE ARG A 15 -7.764 11.681 0.898 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -6.240 8.773 2.224 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -7.196 8.812 3.710 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -8.974 11.729 2.811 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -8.741 10.482 4.040 1.00 0.00 H new ATOM 256 N THR A 16 -7.357 11.203 -4.237 1.00 0.00 N ATOM 257 CA THR A 16 -8.511 11.977 -4.665 1.00 0.00 C ATOM 258 C THR A 16 -9.197 11.324 -5.865 1.00 0.00 C ATOM 259 O THR A 16 -10.412 11.103 -5.862 1.00 0.00 O ATOM 260 CB THR A 16 -8.084 13.414 -5.029 1.00 0.00 C ATOM 261 OG1 THR A 16 -7.813 14.157 -3.835 1.00 0.00 O ATOM 262 CG2 THR A 16 -9.141 14.125 -5.860 1.00 0.00 C ATOM 0 H THR A 16 -6.473 11.710 -4.288 1.00 0.00 H new ATOM 0 HA THR A 16 -9.219 12.009 -3.837 1.00 0.00 H new ATOM 0 HB THR A 16 -7.179 13.351 -5.634 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.884 14.007 -3.560 1.00 0.00 H new ATOM 0 HG21 THR A 16 -8.801 15.134 -6.095 1.00 0.00 H new ATOM 0 HG22 THR A 16 -9.308 13.574 -6.785 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.072 14.178 -5.296 1.00 0.00 H new ATOM 270 N GLU A 17 -8.407 11.005 -6.883 1.00 0.00 N ATOM 271 CA GLU A 17 -8.944 10.441 -8.112 1.00 0.00 C ATOM 272 C GLU A 17 -9.542 9.062 -7.855 1.00 0.00 C ATOM 273 O GLU A 17 -10.592 8.725 -8.397 1.00 0.00 O ATOM 274 CB GLU A 17 -7.868 10.342 -9.198 1.00 0.00 C ATOM 275 CG GLU A 17 -6.841 11.458 -9.162 1.00 0.00 C ATOM 276 CD GLU A 17 -5.909 11.408 -10.353 1.00 0.00 C ATOM 277 OE1 GLU A 17 -5.102 10.460 -10.447 1.00 0.00 O ATOM 278 OE2 GLU A 17 -5.992 12.310 -11.214 1.00 0.00 O ATOM 0 H GLU A 17 -7.394 11.127 -6.881 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.728 11.112 -8.463 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.353 9.387 -9.097 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.353 10.341 -10.174 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.352 12.421 -9.141 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.259 11.386 -8.243 1.00 0.00 H new ATOM 285 N CYS A 18 -8.882 8.273 -7.012 1.00 0.00 N ATOM 286 CA CYS A 18 -9.366 6.937 -6.688 1.00 0.00 C ATOM 287 C CYS A 18 -10.685 7.001 -5.936 1.00 0.00 C ATOM 288 O CYS A 18 -11.548 6.141 -6.106 1.00 0.00 O ATOM 289 CB CYS A 18 -8.332 6.167 -5.875 1.00 0.00 C ATOM 290 SG CYS A 18 -6.806 5.815 -6.799 1.00 0.00 S ATOM 0 H CYS A 18 -8.015 8.535 -6.543 1.00 0.00 H new ATOM 0 HA CYS A 18 -9.532 6.409 -7.627 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -8.083 6.739 -4.981 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -8.770 5.227 -5.540 1.00 0.00 H new ATOM 295 N VAL A 19 -10.848 8.040 -5.129 1.00 0.00 N ATOM 296 CA VAL A 19 -12.079 8.236 -4.390 1.00 0.00 C ATOM 297 C VAL A 19 -13.217 8.547 -5.346 1.00 0.00 C ATOM 298 O VAL A 19 -14.269 7.906 -5.313 1.00 0.00 O ATOM 299 CB VAL A 19 -11.940 9.355 -3.333 1.00 0.00 C ATOM 300 CG1 VAL A 19 -13.295 9.941 -2.968 1.00 0.00 C ATOM 301 CG2 VAL A 19 -11.250 8.811 -2.094 1.00 0.00 C ATOM 0 H VAL A 19 -10.141 8.758 -4.972 1.00 0.00 H new ATOM 0 HA VAL A 19 -12.301 7.310 -3.859 1.00 0.00 H new ATOM 0 HB VAL A 19 -11.335 10.155 -3.760 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -13.163 10.725 -2.223 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -13.761 10.362 -3.859 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -13.933 9.157 -2.561 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.155 9.604 -1.353 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -11.840 7.994 -1.678 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.259 8.443 -2.361 1.00 0.00 H new ATOM 311 N SER A 20 -12.979 9.514 -6.212 1.00 0.00 N ATOM 312 CA SER A 20 -13.964 9.933 -7.192 1.00 0.00 C ATOM 313 C SER A 20 -14.319 8.792 -8.154 1.00 0.00 C ATOM 314 O SER A 20 -15.493 8.542 -8.429 1.00 0.00 O ATOM 315 CB SER A 20 -13.418 11.133 -7.964 1.00 0.00 C ATOM 316 OG SER A 20 -13.007 12.160 -7.073 1.00 0.00 O ATOM 0 H SER A 20 -12.100 10.030 -6.256 1.00 0.00 H new ATOM 0 HA SER A 20 -14.880 10.214 -6.672 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.575 10.822 -8.581 1.00 0.00 H new ATOM 0 HB3 SER A 20 -14.183 11.516 -8.639 1.00 0.00 H new ATOM 0 HG SER A 20 -12.132 11.934 -6.695 1.00 0.00 H new ATOM 322 N SER A 21 -13.300 8.087 -8.638 1.00 0.00 N ATOM 323 CA SER A 21 -13.495 7.041 -9.632 1.00 0.00 C ATOM 324 C SER A 21 -14.214 5.831 -9.044 1.00 0.00 C ATOM 325 O SER A 21 -15.187 5.342 -9.618 1.00 0.00 O ATOM 326 CB SER A 21 -12.147 6.608 -10.209 1.00 0.00 C ATOM 327 OG SER A 21 -12.304 5.563 -11.153 1.00 0.00 O ATOM 0 H SER A 21 -12.329 8.223 -8.356 1.00 0.00 H new ATOM 0 HA SER A 21 -14.120 7.452 -10.425 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.661 7.460 -10.684 1.00 0.00 H new ATOM 0 HB3 SER A 21 -11.493 6.277 -9.402 1.00 0.00 H new ATOM 0 HG SER A 21 -11.427 5.307 -11.507 1.00 0.00 H new ATOM 333 N LEU A 22 -13.747 5.355 -7.893 1.00 0.00 N ATOM 334 CA LEU A 22 -14.295 4.141 -7.300 1.00 0.00 C ATOM 335 C LEU A 22 -15.566 4.427 -6.506 1.00 0.00 C ATOM 336 O LEU A 22 -16.083 3.546 -5.815 1.00 0.00 O ATOM 337 CB LEU A 22 -13.250 3.475 -6.405 1.00 0.00 C ATOM 338 CG LEU A 22 -12.038 2.920 -7.147 1.00 0.00 C ATOM 339 CD1 LEU A 22 -10.962 2.508 -6.161 1.00 0.00 C ATOM 340 CD2 LEU A 22 -12.441 1.737 -8.006 1.00 0.00 C ATOM 0 H LEU A 22 -12.996 5.788 -7.356 1.00 0.00 H new ATOM 0 HA LEU A 22 -14.558 3.463 -8.112 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -12.907 4.201 -5.668 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -13.726 2.663 -5.855 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.640 3.701 -7.794 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.103 2.114 -6.704 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.655 3.374 -5.575 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -11.354 1.740 -5.495 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -11.566 1.352 -8.529 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -12.859 0.954 -7.374 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -13.188 2.054 -8.734 1.00 0.00 H new ATOM 352 N ASN A 23 -16.059 5.660 -6.626 1.00 0.00 N ATOM 353 CA ASN A 23 -17.275 6.105 -5.938 1.00 0.00 C ATOM 354 C ASN A 23 -17.170 5.892 -4.431 1.00 0.00 C ATOM 355 O ASN A 23 -18.148 5.539 -3.773 1.00 0.00 O ATOM 356 CB ASN A 23 -18.513 5.390 -6.488 1.00 0.00 C ATOM 357 CG ASN A 23 -18.840 5.780 -7.922 1.00 0.00 C ATOM 358 OD1 ASN A 23 -17.955 6.108 -8.715 1.00 0.00 O ATOM 359 ND2 ASN A 23 -20.116 5.751 -8.267 1.00 0.00 N ATOM 0 H ASN A 23 -15.627 6.381 -7.204 1.00 0.00 H new ATOM 0 HA ASN A 23 -17.381 7.174 -6.125 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -18.355 4.313 -6.438 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -19.369 5.617 -5.852 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -20.394 6.005 -9.215 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -20.822 5.475 -7.585 1.00 0.00 H new ATOM 366 N ILE A 24 -15.977 6.113 -3.893 1.00 0.00 N ATOM 367 CA ILE A 24 -15.731 5.962 -2.470 1.00 0.00 C ATOM 368 C ILE A 24 -16.506 7.012 -1.676 1.00 0.00 C ATOM 369 O ILE A 24 -16.359 8.215 -1.910 1.00 0.00 O ATOM 370 CB ILE A 24 -14.227 6.097 -2.147 1.00 0.00 C ATOM 371 CG1 ILE A 24 -13.385 5.176 -3.047 1.00 0.00 C ATOM 372 CG2 ILE A 24 -13.974 5.785 -0.680 1.00 0.00 C ATOM 373 CD1 ILE A 24 -13.659 3.696 -2.863 1.00 0.00 C ATOM 0 H ILE A 24 -15.159 6.400 -4.430 1.00 0.00 H new ATOM 0 HA ILE A 24 -16.068 4.965 -2.185 1.00 0.00 H new ATOM 0 HB ILE A 24 -13.926 7.126 -2.344 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -13.569 5.440 -4.089 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -12.329 5.364 -2.852 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -12.910 5.884 -0.465 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -14.536 6.481 -0.058 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -14.295 4.766 -0.464 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -13.022 3.122 -3.536 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -13.447 3.412 -1.832 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -14.705 3.489 -3.088 1.00 0.00 H new ATOM 385 N PRO A 25 -17.359 6.567 -0.742 1.00 0.00 N ATOM 386 CA PRO A 25 -18.103 7.464 0.141 1.00 0.00 C ATOM 387 C PRO A 25 -17.170 8.270 1.034 1.00 0.00 C ATOM 388 O PRO A 25 -16.133 7.771 1.488 1.00 0.00 O ATOM 389 CB PRO A 25 -18.969 6.526 0.988 1.00 0.00 C ATOM 390 CG PRO A 25 -18.950 5.212 0.292 1.00 0.00 C ATOM 391 CD PRO A 25 -17.660 5.154 -0.475 1.00 0.00 C ATOM 0 HA PRO A 25 -18.686 8.194 -0.420 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -18.574 6.437 2.000 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -19.987 6.907 1.075 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -19.013 4.393 1.008 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -19.804 5.116 -0.378 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -16.869 4.677 0.104 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -17.767 4.584 -1.398 1.00 0.00 H new ATOM 399 N ALA A 26 -17.556 9.521 1.277 1.00 0.00 N ATOM 400 CA ALA A 26 -16.779 10.441 2.104 1.00 0.00 C ATOM 401 C ALA A 26 -16.508 9.847 3.478 1.00 0.00 C ATOM 402 O ALA A 26 -15.486 10.137 4.097 1.00 0.00 O ATOM 403 CB ALA A 26 -17.519 11.757 2.246 1.00 0.00 C ATOM 0 H ALA A 26 -18.416 9.925 0.906 1.00 0.00 H new ATOM 0 HA ALA A 26 -15.821 10.614 1.614 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -16.934 12.438 2.864 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -17.669 12.198 1.261 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -18.487 11.581 2.716 1.00 0.00 H new ATOM 409 N ASP A 27 -17.448 9.030 3.941 1.00 0.00 N ATOM 410 CA ASP A 27 -17.314 8.300 5.199 1.00 0.00 C ATOM 411 C ASP A 27 -15.983 7.558 5.278 1.00 0.00 C ATOM 412 O ASP A 27 -15.221 7.731 6.231 1.00 0.00 O ATOM 413 CB ASP A 27 -18.468 7.308 5.342 1.00 0.00 C ATOM 414 CG ASP A 27 -18.324 6.406 6.551 1.00 0.00 C ATOM 415 OD1 ASP A 27 -18.486 6.899 7.687 1.00 0.00 O ATOM 416 OD2 ASP A 27 -18.067 5.197 6.368 1.00 0.00 O ATOM 0 H ASP A 27 -18.327 8.854 3.454 1.00 0.00 H new ATOM 0 HA ASP A 27 -17.343 9.023 6.014 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -19.406 7.858 5.415 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -18.527 6.695 4.443 1.00 0.00 H new ATOM 421 N TYR A 28 -15.710 6.735 4.269 1.00 0.00 N ATOM 422 CA TYR A 28 -14.467 5.983 4.209 1.00 0.00 C ATOM 423 C TYR A 28 -13.259 6.902 4.082 1.00 0.00 C ATOM 424 O TYR A 28 -12.211 6.632 4.661 1.00 0.00 O ATOM 425 CB TYR A 28 -14.505 5.001 3.042 1.00 0.00 C ATOM 426 CG TYR A 28 -15.280 3.744 3.354 1.00 0.00 C ATOM 427 CD1 TYR A 28 -14.635 2.603 3.811 1.00 0.00 C ATOM 428 CD2 TYR A 28 -16.658 3.701 3.199 1.00 0.00 C ATOM 429 CE1 TYR A 28 -15.340 1.453 4.102 1.00 0.00 C ATOM 430 CE2 TYR A 28 -17.372 2.555 3.488 1.00 0.00 C ATOM 431 CZ TYR A 28 -16.708 1.433 3.938 1.00 0.00 C ATOM 432 OH TYR A 28 -17.415 0.289 4.229 1.00 0.00 O ATOM 0 H TYR A 28 -16.337 6.574 3.481 1.00 0.00 H new ATOM 0 HA TYR A 28 -14.367 5.431 5.143 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -14.951 5.491 2.177 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -13.485 4.733 2.766 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -13.563 2.615 3.941 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -17.181 4.578 2.847 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -14.823 0.574 4.456 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -18.445 2.537 3.362 1.00 0.00 H new ATOM 0 HH TYR A 28 -18.368 0.442 4.061 1.00 0.00 H new ATOM 442 N VAL A 29 -13.415 7.986 3.331 1.00 0.00 N ATOM 443 CA VAL A 29 -12.331 8.934 3.100 1.00 0.00 C ATOM 444 C VAL A 29 -11.754 9.466 4.418 1.00 0.00 C ATOM 445 O VAL A 29 -10.532 9.537 4.587 1.00 0.00 O ATOM 446 CB VAL A 29 -12.804 10.107 2.227 1.00 0.00 C ATOM 447 CG1 VAL A 29 -11.674 11.088 1.985 1.00 0.00 C ATOM 448 CG2 VAL A 29 -13.350 9.590 0.909 1.00 0.00 C ATOM 0 H VAL A 29 -14.290 8.232 2.868 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.542 8.396 2.574 1.00 0.00 H new ATOM 0 HB VAL A 29 -13.600 10.632 2.755 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -12.032 11.910 1.365 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.322 11.480 2.939 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.854 10.580 1.477 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -13.682 10.430 0.298 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -12.569 9.044 0.381 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -14.192 8.925 1.100 1.00 0.00 H new ATOM 458 N GLU A 30 -12.634 9.819 5.353 1.00 0.00 N ATOM 459 CA GLU A 30 -12.199 10.326 6.654 1.00 0.00 C ATOM 460 C GLU A 30 -11.445 9.248 7.422 1.00 0.00 C ATOM 461 O GLU A 30 -10.463 9.531 8.110 1.00 0.00 O ATOM 462 CB GLU A 30 -13.386 10.802 7.486 1.00 0.00 C ATOM 463 CG GLU A 30 -14.441 11.528 6.679 1.00 0.00 C ATOM 464 CD GLU A 30 -15.411 12.284 7.556 1.00 0.00 C ATOM 465 OE1 GLU A 30 -16.374 11.670 8.052 1.00 0.00 O ATOM 466 OE2 GLU A 30 -15.206 13.499 7.763 1.00 0.00 O ATOM 0 H GLU A 30 -13.646 9.764 5.236 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.537 11.173 6.472 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -13.843 9.942 7.976 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.025 11.463 8.274 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -13.957 12.223 5.993 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -14.989 10.809 6.070 1.00 0.00 H new ATOM 473 N LYS A 31 -11.902 8.010 7.277 1.00 0.00 N ATOM 474 CA LYS A 31 -11.299 6.879 7.974 1.00 0.00 C ATOM 475 C LYS A 31 -9.868 6.654 7.502 1.00 0.00 C ATOM 476 O LYS A 31 -8.960 6.494 8.315 1.00 0.00 O ATOM 477 CB LYS A 31 -12.130 5.609 7.772 1.00 0.00 C ATOM 478 CG LYS A 31 -13.558 5.751 8.272 1.00 0.00 C ATOM 479 CD LYS A 31 -14.301 4.422 8.272 1.00 0.00 C ATOM 480 CE LYS A 31 -15.761 4.607 8.681 1.00 0.00 C ATOM 481 NZ LYS A 31 -16.478 3.311 8.802 1.00 0.00 N ATOM 0 H LYS A 31 -12.692 7.763 6.681 1.00 0.00 H new ATOM 0 HA LYS A 31 -11.280 7.113 9.038 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -12.145 5.355 6.712 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -11.649 4.780 8.291 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -13.549 6.160 9.282 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -14.092 6.464 7.644 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -14.252 3.975 7.279 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -13.813 3.729 8.958 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -15.806 5.135 9.633 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -16.266 5.233 7.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -17.465 3.485 9.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -16.459 2.817 7.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -16.013 2.723 9.523 1.00 0.00 H new ATOM 495 N PHE A 32 -9.671 6.666 6.187 1.00 0.00 N ATOM 496 CA PHE A 32 -8.348 6.477 5.601 1.00 0.00 C ATOM 497 C PHE A 32 -7.379 7.540 6.104 1.00 0.00 C ATOM 498 O PHE A 32 -6.228 7.250 6.424 1.00 0.00 O ATOM 499 CB PHE A 32 -8.411 6.542 4.072 1.00 0.00 C ATOM 500 CG PHE A 32 -9.426 5.623 3.451 1.00 0.00 C ATOM 501 CD1 PHE A 32 -9.666 4.368 3.982 1.00 0.00 C ATOM 502 CD2 PHE A 32 -10.133 6.016 2.325 1.00 0.00 C ATOM 503 CE1 PHE A 32 -10.592 3.524 3.405 1.00 0.00 C ATOM 504 CE2 PHE A 32 -11.060 5.174 1.744 1.00 0.00 C ATOM 505 CZ PHE A 32 -11.289 3.925 2.284 1.00 0.00 C ATOM 0 H PHE A 32 -10.415 6.805 5.504 1.00 0.00 H new ATOM 0 HA PHE A 32 -7.994 5.491 5.903 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -8.636 7.566 3.773 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.427 6.301 3.670 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -9.122 4.046 4.858 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -9.957 6.992 1.898 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -10.772 2.548 3.831 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -11.605 5.492 0.868 1.00 0.00 H new ATOM 0 HZ PHE A 32 -12.012 3.263 1.830 1.00 0.00 H new ATOM 515 N LYS A 33 -7.868 8.774 6.191 1.00 0.00 N ATOM 516 CA LYS A 33 -7.051 9.903 6.618 1.00 0.00 C ATOM 517 C LYS A 33 -6.538 9.691 8.040 1.00 0.00 C ATOM 518 O LYS A 33 -5.427 10.098 8.377 1.00 0.00 O ATOM 519 CB LYS A 33 -7.861 11.198 6.549 1.00 0.00 C ATOM 520 CG LYS A 33 -6.987 12.440 6.492 1.00 0.00 C ATOM 521 CD LYS A 33 -7.820 13.700 6.337 1.00 0.00 C ATOM 522 CE LYS A 33 -6.944 14.942 6.249 1.00 0.00 C ATOM 523 NZ LYS A 33 -7.747 16.176 6.057 1.00 0.00 N ATOM 0 H LYS A 33 -8.833 9.017 5.969 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.196 9.978 5.946 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -8.504 11.172 5.669 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.514 11.259 7.420 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.389 12.507 7.401 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.291 12.358 5.658 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -8.434 13.623 5.440 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.501 13.793 7.183 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.351 15.033 7.159 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.243 14.833 5.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.112 16.998 6.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -8.293 16.101 5.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -8.399 16.295 6.859 1.00 0.00 H new ATOM 537 N LYS A 34 -7.345 9.033 8.861 1.00 0.00 N ATOM 538 CA LYS A 34 -6.973 8.757 10.246 1.00 0.00 C ATOM 539 C LYS A 34 -6.217 7.436 10.366 1.00 0.00 C ATOM 540 O LYS A 34 -6.083 6.885 11.461 1.00 0.00 O ATOM 541 CB LYS A 34 -8.220 8.737 11.136 1.00 0.00 C ATOM 542 CG LYS A 34 -8.840 10.109 11.337 1.00 0.00 C ATOM 543 CD LYS A 34 -10.113 10.030 12.161 1.00 0.00 C ATOM 544 CE LYS A 34 -10.723 11.404 12.368 1.00 0.00 C ATOM 545 NZ LYS A 34 -11.986 11.341 13.150 1.00 0.00 N ATOM 0 H LYS A 34 -8.263 8.679 8.593 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.309 9.555 10.580 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.962 8.072 10.694 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.957 8.319 12.108 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -8.124 10.764 11.834 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.060 10.555 10.367 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.833 9.382 11.661 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.895 9.577 13.128 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.008 12.044 12.885 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.919 11.863 11.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.369 12.301 13.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.678 10.752 12.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.795 10.927 14.085 1.00 0.00 H new ATOM 559 N TRP A 35 -5.702 6.959 9.233 1.00 0.00 N ATOM 560 CA TRP A 35 -4.990 5.686 9.157 1.00 0.00 C ATOM 561 C TRP A 35 -5.841 4.532 9.689 1.00 0.00 C ATOM 562 O TRP A 35 -5.391 3.735 10.513 1.00 0.00 O ATOM 563 CB TRP A 35 -3.655 5.772 9.899 1.00 0.00 C ATOM 564 CG TRP A 35 -2.691 6.739 9.274 1.00 0.00 C ATOM 565 CD1 TRP A 35 -2.529 8.056 9.596 1.00 0.00 C ATOM 566 CD2 TRP A 35 -1.763 6.469 8.213 1.00 0.00 C ATOM 567 NE1 TRP A 35 -1.556 8.620 8.807 1.00 0.00 N ATOM 568 CE2 TRP A 35 -1.073 7.668 7.948 1.00 0.00 C ATOM 569 CE3 TRP A 35 -1.447 5.334 7.460 1.00 0.00 C ATOM 570 CZ2 TRP A 35 -0.087 7.761 6.969 1.00 0.00 C ATOM 571 CZ3 TRP A 35 -0.470 5.430 6.487 1.00 0.00 C ATOM 572 CH2 TRP A 35 0.200 6.634 6.248 1.00 0.00 C ATOM 0 H TRP A 35 -5.768 7.447 8.340 1.00 0.00 H new ATOM 0 HA TRP A 35 -4.787 5.480 8.106 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.839 6.069 10.931 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -3.199 4.782 9.929 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -3.085 8.579 10.360 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -1.244 9.590 8.853 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -1.957 4.399 7.636 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 0.433 8.690 6.785 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.219 4.559 5.900 1.00 0.00 H new ATOM 0 HH2 TRP A 35 0.958 6.675 5.480 1.00 0.00 H new ATOM 583 N GLU A 36 -7.074 4.454 9.207 1.00 0.00 N ATOM 584 CA GLU A 36 -7.979 3.375 9.561 1.00 0.00 C ATOM 585 C GLU A 36 -8.517 2.725 8.295 1.00 0.00 C ATOM 586 O GLU A 36 -9.307 3.322 7.564 1.00 0.00 O ATOM 587 CB GLU A 36 -9.135 3.902 10.416 1.00 0.00 C ATOM 588 CG GLU A 36 -8.694 4.496 11.740 1.00 0.00 C ATOM 589 CD GLU A 36 -9.856 4.995 12.573 1.00 0.00 C ATOM 590 OE1 GLU A 36 -10.081 6.223 12.623 1.00 0.00 O ATOM 591 OE2 GLU A 36 -10.559 4.159 13.177 1.00 0.00 O ATOM 0 H GLU A 36 -7.472 5.136 8.561 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.433 2.633 10.143 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.677 4.660 9.851 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -9.834 3.088 10.608 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -8.144 3.744 12.305 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.006 5.321 11.552 1.00 0.00 H new ATOM 598 N PHE A 37 -8.076 1.505 8.033 1.00 0.00 N ATOM 599 CA PHE A 37 -8.434 0.810 6.802 1.00 0.00 C ATOM 600 C PHE A 37 -9.263 -0.435 7.103 1.00 0.00 C ATOM 601 O PHE A 37 -8.717 -1.473 7.480 1.00 0.00 O ATOM 602 CB PHE A 37 -7.167 0.427 6.027 1.00 0.00 C ATOM 603 CG PHE A 37 -6.245 1.591 5.783 1.00 0.00 C ATOM 604 CD1 PHE A 37 -5.317 1.961 6.744 1.00 0.00 C ATOM 605 CD2 PHE A 37 -6.311 2.320 4.604 1.00 0.00 C ATOM 606 CE1 PHE A 37 -4.474 3.035 6.536 1.00 0.00 C ATOM 607 CE2 PHE A 37 -5.467 3.394 4.391 1.00 0.00 C ATOM 608 CZ PHE A 37 -4.548 3.752 5.358 1.00 0.00 C ATOM 0 H PHE A 37 -7.468 0.973 8.656 1.00 0.00 H new ATOM 0 HA PHE A 37 -9.036 1.482 6.191 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.630 -0.344 6.580 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -7.453 -0.009 5.069 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -5.252 1.403 7.666 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -7.029 2.046 3.845 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.757 3.314 7.294 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -5.526 3.953 3.469 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.888 4.591 5.193 1.00 0.00 H new ATOM 618 N PRO A 38 -10.596 -0.334 6.978 1.00 0.00 N ATOM 619 CA PRO A 38 -11.506 -1.469 7.180 1.00 0.00 C ATOM 620 C PRO A 38 -11.286 -2.602 6.181 1.00 0.00 C ATOM 621 O PRO A 38 -10.917 -2.381 5.025 1.00 0.00 O ATOM 622 CB PRO A 38 -12.895 -0.860 6.978 1.00 0.00 C ATOM 623 CG PRO A 38 -12.708 0.599 7.179 1.00 0.00 C ATOM 624 CD PRO A 38 -11.336 0.897 6.651 1.00 0.00 C ATOM 0 HA PRO A 38 -11.353 -1.923 8.159 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -13.279 -1.075 5.981 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -13.612 -1.268 7.690 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -13.468 1.170 6.646 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -12.791 0.865 8.233 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -11.347 1.091 5.579 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -10.898 1.773 7.129 1.00 0.00 H new ATOM 632 N GLU A 39 -11.526 -3.815 6.646 1.00 0.00 N ATOM 633 CA GLU A 39 -11.400 -4.998 5.819 1.00 0.00 C ATOM 634 C GLU A 39 -12.670 -5.200 4.998 1.00 0.00 C ATOM 635 O GLU A 39 -13.540 -5.999 5.356 1.00 0.00 O ATOM 636 CB GLU A 39 -11.132 -6.222 6.694 1.00 0.00 C ATOM 637 CG GLU A 39 -10.760 -7.467 5.909 1.00 0.00 C ATOM 638 CD GLU A 39 -10.720 -8.710 6.771 1.00 0.00 C ATOM 639 OE1 GLU A 39 -9.696 -8.947 7.439 1.00 0.00 O ATOM 640 OE2 GLU A 39 -11.713 -9.469 6.773 1.00 0.00 O ATOM 0 H GLU A 39 -11.813 -4.006 7.606 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.561 -4.866 5.136 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.327 -5.989 7.391 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -12.020 -6.432 7.291 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.479 -7.612 5.103 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.785 -7.321 5.444 1.00 0.00 H new ATOM 647 N ASP A 40 -12.781 -4.462 3.905 1.00 0.00 N ATOM 648 CA ASP A 40 -13.962 -4.540 3.049 1.00 0.00 C ATOM 649 C ASP A 40 -13.617 -4.148 1.616 1.00 0.00 C ATOM 650 O ASP A 40 -12.604 -3.482 1.389 1.00 0.00 O ATOM 651 CB ASP A 40 -15.085 -3.638 3.583 1.00 0.00 C ATOM 652 CG ASP A 40 -15.123 -2.276 2.913 1.00 0.00 C ATOM 653 OD1 ASP A 40 -14.349 -1.385 3.321 1.00 0.00 O ATOM 654 OD2 ASP A 40 -15.937 -2.096 1.976 1.00 0.00 O ATOM 0 H ASP A 40 -12.071 -3.802 3.587 1.00 0.00 H new ATOM 0 HA ASP A 40 -14.311 -5.572 3.056 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -16.044 -4.136 3.436 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.956 -3.505 4.657 1.00 0.00 H new ATOM 659 N ASP A 41 -14.452 -4.558 0.663 1.00 0.00 N ATOM 660 CA ASP A 41 -14.185 -4.342 -0.768 1.00 0.00 C ATOM 661 C ASP A 41 -13.820 -2.890 -1.072 1.00 0.00 C ATOM 662 O ASP A 41 -12.857 -2.629 -1.801 1.00 0.00 O ATOM 663 CB ASP A 41 -15.398 -4.739 -1.616 1.00 0.00 C ATOM 664 CG ASP A 41 -15.773 -6.197 -1.461 1.00 0.00 C ATOM 665 OD1 ASP A 41 -16.555 -6.521 -0.548 1.00 0.00 O ATOM 666 OD2 ASP A 41 -15.289 -7.032 -2.257 1.00 0.00 O ATOM 0 H ASP A 41 -15.327 -5.046 0.853 1.00 0.00 H new ATOM 0 HA ASP A 41 -13.334 -4.973 -1.023 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -16.249 -4.118 -1.336 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -15.185 -4.533 -2.665 1.00 0.00 H new ATOM 671 N THR A 42 -14.579 -1.960 -0.498 1.00 0.00 N ATOM 672 CA THR A 42 -14.405 -0.536 -0.756 1.00 0.00 C ATOM 673 C THR A 42 -12.961 -0.099 -0.517 1.00 0.00 C ATOM 674 O THR A 42 -12.282 0.384 -1.428 1.00 0.00 O ATOM 675 CB THR A 42 -15.326 0.282 0.161 1.00 0.00 C ATOM 676 OG1 THR A 42 -16.636 -0.300 0.189 1.00 0.00 O ATOM 677 CG2 THR A 42 -15.410 1.722 -0.306 1.00 0.00 C ATOM 0 H THR A 42 -15.330 -2.173 0.158 1.00 0.00 H new ATOM 0 HA THR A 42 -14.659 -0.358 -1.801 1.00 0.00 H new ATOM 0 HB THR A 42 -14.906 0.269 1.167 1.00 0.00 H new ATOM 0 HG1 THR A 42 -16.726 -0.865 0.985 1.00 0.00 H new ATOM 0 HG21 THR A 42 -16.068 2.282 0.359 1.00 0.00 H new ATOM 0 HG22 THR A 42 -14.415 2.168 -0.292 1.00 0.00 H new ATOM 0 HG23 THR A 42 -15.807 1.753 -1.320 1.00 0.00 H new ATOM 685 N THR A 43 -12.505 -0.287 0.713 1.00 0.00 N ATOM 686 CA THR A 43 -11.152 0.069 1.107 1.00 0.00 C ATOM 687 C THR A 43 -10.111 -0.687 0.279 1.00 0.00 C ATOM 688 O THR A 43 -9.060 -0.144 -0.064 1.00 0.00 O ATOM 689 CB THR A 43 -10.933 -0.240 2.600 1.00 0.00 C ATOM 690 OG1 THR A 43 -11.949 0.411 3.387 1.00 0.00 O ATOM 691 CG2 THR A 43 -9.554 0.225 3.050 1.00 0.00 C ATOM 0 H THR A 43 -13.063 -0.691 1.465 1.00 0.00 H new ATOM 0 HA THR A 43 -11.029 1.137 0.928 1.00 0.00 H new ATOM 0 HB THR A 43 -10.998 -1.319 2.744 1.00 0.00 H new ATOM 0 HG1 THR A 43 -12.765 -0.132 3.382 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.420 -0.003 4.107 1.00 0.00 H new ATOM 0 HG22 THR A 43 -8.789 -0.289 2.468 1.00 0.00 H new ATOM 0 HG23 THR A 43 -9.465 1.300 2.897 1.00 0.00 H new ATOM 699 N MET A 44 -10.426 -1.931 -0.062 1.00 0.00 N ATOM 700 CA MET A 44 -9.486 -2.794 -0.764 1.00 0.00 C ATOM 701 C MET A 44 -9.183 -2.272 -2.164 1.00 0.00 C ATOM 702 O MET A 44 -8.022 -2.093 -2.531 1.00 0.00 O ATOM 703 CB MET A 44 -10.027 -4.221 -0.849 1.00 0.00 C ATOM 704 CG MET A 44 -10.183 -4.895 0.501 1.00 0.00 C ATOM 705 SD MET A 44 -10.864 -6.558 0.378 1.00 0.00 S ATOM 706 CE MET A 44 -10.922 -7.004 2.111 1.00 0.00 C ATOM 0 H MET A 44 -11.327 -2.365 0.137 1.00 0.00 H new ATOM 0 HA MET A 44 -8.557 -2.796 -0.193 1.00 0.00 H new ATOM 0 HB2 MET A 44 -10.994 -4.204 -1.351 1.00 0.00 H new ATOM 0 HB3 MET A 44 -9.357 -4.818 -1.468 1.00 0.00 H new ATOM 0 HG2 MET A 44 -9.212 -4.941 0.993 1.00 0.00 H new ATOM 0 HG3 MET A 44 -10.832 -4.288 1.132 1.00 0.00 H new ATOM 0 HE1 MET A 44 -10.884 -8.089 2.209 1.00 0.00 H new ATOM 0 HE2 MET A 44 -10.070 -6.563 2.629 1.00 0.00 H new ATOM 0 HE3 MET A 44 -11.847 -6.632 2.552 1.00 0.00 H new ATOM 716 N CYS A 45 -10.226 -2.026 -2.946 1.00 0.00 N ATOM 717 CA CYS A 45 -10.044 -1.540 -4.310 1.00 0.00 C ATOM 718 C CYS A 45 -9.494 -0.122 -4.306 1.00 0.00 C ATOM 719 O CYS A 45 -8.801 0.283 -5.241 1.00 0.00 O ATOM 720 CB CYS A 45 -11.352 -1.607 -5.103 1.00 0.00 C ATOM 721 SG CYS A 45 -11.959 -3.307 -5.393 1.00 0.00 S ATOM 0 H CYS A 45 -11.198 -2.153 -2.664 1.00 0.00 H new ATOM 0 HA CYS A 45 -9.321 -2.191 -4.801 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -12.118 -1.045 -4.569 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -11.208 -1.115 -6.065 1.00 0.00 H new ATOM 726 N TYR A 46 -9.792 0.624 -3.245 1.00 0.00 N ATOM 727 CA TYR A 46 -9.241 1.956 -3.072 1.00 0.00 C ATOM 728 C TYR A 46 -7.721 1.892 -2.996 1.00 0.00 C ATOM 729 O TYR A 46 -7.023 2.613 -3.710 1.00 0.00 O ATOM 730 CB TYR A 46 -9.824 2.604 -1.815 1.00 0.00 C ATOM 731 CG TYR A 46 -9.054 3.818 -1.341 1.00 0.00 C ATOM 732 CD1 TYR A 46 -9.061 5.001 -2.069 1.00 0.00 C ATOM 733 CD2 TYR A 46 -8.325 3.781 -0.158 1.00 0.00 C ATOM 734 CE1 TYR A 46 -8.367 6.110 -1.630 1.00 0.00 C ATOM 735 CE2 TYR A 46 -7.626 4.887 0.284 1.00 0.00 C ATOM 736 CZ TYR A 46 -7.652 6.048 -0.457 1.00 0.00 C ATOM 737 OH TYR A 46 -6.980 7.160 -0.018 1.00 0.00 O ATOM 0 H TYR A 46 -10.413 0.324 -2.494 1.00 0.00 H new ATOM 0 HA TYR A 46 -9.512 2.568 -3.932 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -10.856 2.894 -2.012 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -9.848 1.865 -1.014 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -9.618 5.054 -2.993 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -8.305 2.872 0.425 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -8.385 7.024 -2.206 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -7.063 4.842 1.204 1.00 0.00 H new ATOM 0 HH TYR A 46 -6.115 6.893 0.356 1.00 0.00 H new ATOM 747 N ILE A 47 -7.221 1.003 -2.142 1.00 0.00 N ATOM 748 CA ILE A 47 -5.789 0.807 -1.985 1.00 0.00 C ATOM 749 C ILE A 47 -5.159 0.363 -3.301 1.00 0.00 C ATOM 750 O ILE A 47 -4.060 0.792 -3.644 1.00 0.00 O ATOM 751 CB ILE A 47 -5.475 -0.232 -0.881 1.00 0.00 C ATOM 752 CG1 ILE A 47 -5.919 0.292 0.497 1.00 0.00 C ATOM 753 CG2 ILE A 47 -3.991 -0.586 -0.872 1.00 0.00 C ATOM 754 CD1 ILE A 47 -5.270 1.603 0.903 1.00 0.00 C ATOM 0 H ILE A 47 -7.793 0.405 -1.546 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.362 1.764 -1.687 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.036 -1.140 -1.100 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -7.001 0.421 0.493 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.691 -0.462 1.251 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -3.796 -1.317 -0.088 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.711 -1.006 -1.838 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.404 0.313 -0.684 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.637 1.902 1.885 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.188 1.476 0.943 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.519 2.373 0.173 1.00 0.00 H new ATOM 766 N LYS A 48 -5.874 -0.474 -4.048 1.00 0.00 N ATOM 767 CA LYS A 48 -5.374 -0.979 -5.318 1.00 0.00 C ATOM 768 C LYS A 48 -5.145 0.183 -6.283 1.00 0.00 C ATOM 769 O LYS A 48 -4.055 0.344 -6.825 1.00 0.00 O ATOM 770 CB LYS A 48 -6.365 -1.993 -5.915 1.00 0.00 C ATOM 771 CG LYS A 48 -5.767 -2.932 -6.965 1.00 0.00 C ATOM 772 CD LYS A 48 -5.334 -2.214 -8.240 1.00 0.00 C ATOM 773 CE LYS A 48 -6.520 -1.708 -9.048 1.00 0.00 C ATOM 774 NZ LYS A 48 -7.350 -2.822 -9.575 1.00 0.00 N ATOM 0 H LYS A 48 -6.801 -0.815 -3.794 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.424 -1.487 -5.151 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.781 -2.593 -5.106 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.194 -1.448 -6.366 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.907 -3.445 -6.535 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.501 -3.697 -7.218 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.689 -1.374 -7.981 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.742 -2.893 -8.854 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.136 -1.062 -8.422 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.160 -1.100 -9.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.820 -2.520 -10.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.744 -3.643 -9.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.068 -3.084 -8.870 1.00 0.00 H new ATOM 788 N CYS A 49 -6.186 0.985 -6.486 1.00 0.00 N ATOM 789 CA CYS A 49 -6.117 2.136 -7.382 1.00 0.00 C ATOM 790 C CYS A 49 -4.976 3.078 -7.000 1.00 0.00 C ATOM 791 O CYS A 49 -4.171 3.461 -7.849 1.00 0.00 O ATOM 792 CB CYS A 49 -7.450 2.892 -7.375 1.00 0.00 C ATOM 793 SG CYS A 49 -7.403 4.503 -8.232 1.00 0.00 S ATOM 0 H CYS A 49 -7.094 0.858 -6.039 1.00 0.00 H new ATOM 0 HA CYS A 49 -5.920 1.764 -8.387 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -8.211 2.267 -7.842 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -7.758 3.052 -6.342 1.00 0.00 H new ATOM 798 N VAL A 50 -4.898 3.430 -5.718 1.00 0.00 N ATOM 799 CA VAL A 50 -3.889 4.357 -5.232 1.00 0.00 C ATOM 800 C VAL A 50 -2.490 3.810 -5.477 1.00 0.00 C ATOM 801 O VAL A 50 -1.620 4.500 -6.012 1.00 0.00 O ATOM 802 CB VAL A 50 -4.077 4.641 -3.728 1.00 0.00 C ATOM 803 CG1 VAL A 50 -2.931 5.466 -3.177 1.00 0.00 C ATOM 804 CG2 VAL A 50 -5.393 5.351 -3.490 1.00 0.00 C ATOM 0 H VAL A 50 -5.529 3.082 -4.996 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.008 5.290 -5.783 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.087 3.685 -3.204 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.093 5.650 -2.115 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.995 4.925 -3.313 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.881 6.418 -3.706 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.514 5.546 -2.424 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.401 6.295 -4.035 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.213 4.724 -3.839 1.00 0.00 H new ATOM 814 N PHE A 51 -2.300 2.553 -5.116 1.00 0.00 N ATOM 815 CA PHE A 51 -1.009 1.900 -5.237 1.00 0.00 C ATOM 816 C PHE A 51 -0.621 1.717 -6.701 1.00 0.00 C ATOM 817 O PHE A 51 0.558 1.644 -7.038 1.00 0.00 O ATOM 818 CB PHE A 51 -1.045 0.551 -4.515 1.00 0.00 C ATOM 819 CG PHE A 51 -0.697 0.629 -3.053 1.00 0.00 C ATOM 820 CD1 PHE A 51 -0.039 -0.419 -2.431 1.00 0.00 C ATOM 821 CD2 PHE A 51 -1.032 1.745 -2.302 1.00 0.00 C ATOM 822 CE1 PHE A 51 0.277 -0.356 -1.088 1.00 0.00 C ATOM 823 CE2 PHE A 51 -0.716 1.814 -0.959 1.00 0.00 C ATOM 824 CZ PHE A 51 -0.061 0.762 -0.352 1.00 0.00 C ATOM 0 H PHE A 51 -3.034 1.958 -4.732 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.253 2.533 -4.773 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -2.042 0.122 -4.618 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -0.352 -0.131 -5.007 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.230 -1.295 -3.002 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -1.546 2.570 -2.772 1.00 0.00 H new ATOM 0 HE1 PHE A 51 0.788 -1.181 -0.614 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.981 2.690 -0.385 1.00 0.00 H new ATOM 0 HZ PHE A 51 0.187 0.813 0.698 1.00 0.00 H new ATOM 834 N ASN A 52 -1.619 1.660 -7.570 1.00 0.00 N ATOM 835 CA ASN A 52 -1.377 1.482 -8.996 1.00 0.00 C ATOM 836 C ASN A 52 -0.974 2.809 -9.630 1.00 0.00 C ATOM 837 O ASN A 52 -0.074 2.865 -10.470 1.00 0.00 O ATOM 838 CB ASN A 52 -2.626 0.928 -9.690 1.00 0.00 C ATOM 839 CG ASN A 52 -2.384 0.602 -11.157 1.00 0.00 C ATOM 840 OD1 ASN A 52 -3.269 0.772 -12.000 1.00 0.00 O ATOM 841 ND2 ASN A 52 -1.199 0.102 -11.471 1.00 0.00 N ATOM 0 H ASN A 52 -2.604 1.734 -7.314 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.564 0.767 -9.121 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.956 0.028 -9.171 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.434 1.656 -9.612 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -0.994 -0.156 -12.436 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -0.491 -0.025 -10.748 1.00 0.00 H new ATOM 848 N LYS A 53 -1.631 3.877 -9.199 1.00 0.00 N ATOM 849 CA LYS A 53 -1.348 5.216 -9.698 1.00 0.00 C ATOM 850 C LYS A 53 0.031 5.673 -9.251 1.00 0.00 C ATOM 851 O LYS A 53 0.725 6.394 -9.964 1.00 0.00 O ATOM 852 CB LYS A 53 -2.397 6.203 -9.190 1.00 0.00 C ATOM 853 CG LYS A 53 -3.712 6.181 -9.956 1.00 0.00 C ATOM 854 CD LYS A 53 -4.748 7.080 -9.300 1.00 0.00 C ATOM 855 CE LYS A 53 -6.004 7.191 -10.149 1.00 0.00 C ATOM 856 NZ LYS A 53 -5.784 8.038 -11.350 1.00 0.00 N ATOM 0 H LYS A 53 -2.371 3.841 -8.498 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.377 5.185 -10.787 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.600 5.989 -8.141 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.982 7.210 -9.236 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.543 6.506 -10.983 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.091 5.160 -10.003 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.005 6.684 -8.317 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.324 8.072 -9.143 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.322 6.196 -10.459 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.812 7.612 -9.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.696 8.230 -11.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.344 8.936 -11.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.157 7.541 -12.015 1.00 0.00 H new ATOM 870 N MET A 54 0.419 5.238 -8.063 1.00 0.00 N ATOM 871 CA MET A 54 1.704 5.603 -7.489 1.00 0.00 C ATOM 872 C MET A 54 2.815 4.685 -7.979 1.00 0.00 C ATOM 873 O MET A 54 3.935 4.725 -7.473 1.00 0.00 O ATOM 874 CB MET A 54 1.602 5.568 -5.966 1.00 0.00 C ATOM 875 CG MET A 54 0.868 6.770 -5.407 1.00 0.00 C ATOM 876 SD MET A 54 0.168 6.487 -3.774 1.00 0.00 S ATOM 877 CE MET A 54 1.618 6.058 -2.828 1.00 0.00 C ATOM 0 H MET A 54 -0.144 4.626 -7.473 1.00 0.00 H new ATOM 0 HA MET A 54 1.958 6.612 -7.812 1.00 0.00 H new ATOM 0 HB2 MET A 54 1.087 4.657 -5.660 1.00 0.00 H new ATOM 0 HB3 MET A 54 2.604 5.527 -5.539 1.00 0.00 H new ATOM 0 HG2 MET A 54 1.555 7.615 -5.358 1.00 0.00 H new ATOM 0 HG3 MET A 54 0.068 7.049 -6.093 1.00 0.00 H new ATOM 0 HE1 MET A 54 1.478 5.077 -2.373 1.00 0.00 H new ATOM 0 HE2 MET A 54 2.487 6.032 -3.486 1.00 0.00 H new ATOM 0 HE3 MET A 54 1.776 6.802 -2.047 1.00 0.00 H new ATOM 887 N GLN A 55 2.480 3.862 -8.980 1.00 0.00 N ATOM 888 CA GLN A 55 3.428 2.952 -9.611 1.00 0.00 C ATOM 889 C GLN A 55 4.087 2.031 -8.590 1.00 0.00 C ATOM 890 O GLN A 55 5.294 1.799 -8.625 1.00 0.00 O ATOM 891 CB GLN A 55 4.474 3.751 -10.382 1.00 0.00 C ATOM 892 CG GLN A 55 3.913 4.400 -11.631 1.00 0.00 C ATOM 893 CD GLN A 55 4.897 5.347 -12.289 1.00 0.00 C ATOM 894 OE1 GLN A 55 5.739 5.951 -11.622 1.00 0.00 O ATOM 895 NE2 GLN A 55 4.798 5.489 -13.601 1.00 0.00 N ATOM 0 H GLN A 55 1.540 3.813 -9.372 1.00 0.00 H new ATOM 0 HA GLN A 55 2.882 2.317 -10.308 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.888 4.522 -9.732 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.297 3.092 -10.659 1.00 0.00 H new ATOM 0 HG2 GLN A 55 3.630 3.625 -12.343 1.00 0.00 H new ATOM 0 HG3 GLN A 55 3.005 4.946 -11.376 1.00 0.00 H new ATOM 0 HE21 GLN A 55 4.087 4.971 -14.118 1.00 0.00 H new ATOM 0 HE22 GLN A 55 5.432 6.116 -14.095 1.00 0.00 H new ATOM 904 N LEU A 56 3.279 1.502 -7.688 1.00 0.00 N ATOM 905 CA LEU A 56 3.787 0.704 -6.588 1.00 0.00 C ATOM 906 C LEU A 56 3.167 -0.692 -6.579 1.00 0.00 C ATOM 907 O LEU A 56 3.694 -1.618 -5.957 1.00 0.00 O ATOM 908 CB LEU A 56 3.521 1.443 -5.270 1.00 0.00 C ATOM 909 CG LEU A 56 4.693 2.285 -4.766 1.00 0.00 C ATOM 910 CD1 LEU A 56 4.308 3.048 -3.505 1.00 0.00 C ATOM 911 CD2 LEU A 56 5.906 1.413 -4.505 1.00 0.00 C ATOM 0 H LEU A 56 2.265 1.612 -7.697 1.00 0.00 H new ATOM 0 HA LEU A 56 4.861 0.568 -6.711 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.654 2.091 -5.400 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.260 0.712 -4.505 1.00 0.00 H new ATOM 0 HG LEU A 56 4.947 3.008 -5.541 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.157 3.640 -3.164 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.469 3.709 -3.722 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.022 2.342 -2.725 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.729 2.032 -4.147 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.661 0.664 -3.752 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.202 0.915 -5.428 1.00 0.00 H new ATOM 923 N PHE A 57 2.055 -0.840 -7.288 1.00 0.00 N ATOM 924 CA PHE A 57 1.370 -2.122 -7.391 1.00 0.00 C ATOM 925 C PHE A 57 0.802 -2.297 -8.794 1.00 0.00 C ATOM 926 O PHE A 57 0.301 -1.345 -9.396 1.00 0.00 O ATOM 927 CB PHE A 57 0.249 -2.229 -6.342 1.00 0.00 C ATOM 928 CG PHE A 57 -0.591 -3.473 -6.458 1.00 0.00 C ATOM 929 CD1 PHE A 57 -1.774 -3.462 -7.183 1.00 0.00 C ATOM 930 CD2 PHE A 57 -0.201 -4.652 -5.841 1.00 0.00 C ATOM 931 CE1 PHE A 57 -2.549 -4.599 -7.289 1.00 0.00 C ATOM 932 CE2 PHE A 57 -0.973 -5.792 -5.945 1.00 0.00 C ATOM 933 CZ PHE A 57 -2.147 -5.766 -6.671 1.00 0.00 C ATOM 0 H PHE A 57 1.606 -0.083 -7.803 1.00 0.00 H new ATOM 0 HA PHE A 57 2.091 -2.916 -7.199 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.694 -2.196 -5.347 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.399 -1.357 -6.430 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -2.092 -2.552 -7.670 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.717 -4.679 -5.273 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.469 -4.576 -7.855 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.659 -6.704 -5.459 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.750 -6.658 -6.755 1.00 0.00 H new ATOM 943 N ASP A 58 0.904 -3.511 -9.305 1.00 0.00 N ATOM 944 CA ASP A 58 0.375 -3.855 -10.617 1.00 0.00 C ATOM 945 C ASP A 58 -0.589 -5.031 -10.475 1.00 0.00 C ATOM 946 O ASP A 58 -0.346 -5.942 -9.688 1.00 0.00 O ATOM 947 CB ASP A 58 1.535 -4.211 -11.557 1.00 0.00 C ATOM 948 CG ASP A 58 1.081 -4.589 -12.949 1.00 0.00 C ATOM 949 OD1 ASP A 58 1.117 -3.724 -13.846 1.00 0.00 O ATOM 950 OD2 ASP A 58 0.694 -5.753 -13.155 1.00 0.00 O ATOM 0 H ASP A 58 1.356 -4.288 -8.823 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.165 -3.008 -11.039 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.215 -3.362 -11.622 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.100 -5.039 -11.129 1.00 0.00 H new ATOM 955 N ASP A 59 -1.687 -5.000 -11.229 1.00 0.00 N ATOM 956 CA ASP A 59 -2.752 -6.011 -11.108 1.00 0.00 C ATOM 957 C ASP A 59 -2.277 -7.392 -11.539 1.00 0.00 C ATOM 958 O ASP A 59 -2.910 -8.402 -11.227 1.00 0.00 O ATOM 959 CB ASP A 59 -3.969 -5.624 -11.952 1.00 0.00 C ATOM 960 CG ASP A 59 -4.686 -4.393 -11.440 1.00 0.00 C ATOM 961 OD1 ASP A 59 -4.235 -3.268 -11.738 1.00 0.00 O ATOM 962 OD2 ASP A 59 -5.721 -4.541 -10.757 1.00 0.00 O ATOM 0 H ASP A 59 -1.868 -4.286 -11.934 1.00 0.00 H new ATOM 0 HA ASP A 59 -3.028 -6.048 -10.054 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.649 -5.449 -12.979 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.668 -6.460 -11.974 1.00 0.00 H new ATOM 967 N THR A 60 -1.182 -7.428 -12.275 1.00 0.00 N ATOM 968 CA THR A 60 -0.627 -8.674 -12.770 1.00 0.00 C ATOM 969 C THR A 60 0.555 -9.142 -11.913 1.00 0.00 C ATOM 970 O THR A 60 0.504 -10.209 -11.298 1.00 0.00 O ATOM 971 CB THR A 60 -0.172 -8.502 -14.229 1.00 0.00 C ATOM 972 OG1 THR A 60 -1.308 -8.246 -15.070 1.00 0.00 O ATOM 973 CG2 THR A 60 0.577 -9.724 -14.723 1.00 0.00 C ATOM 0 H THR A 60 -0.654 -6.598 -12.546 1.00 0.00 H new ATOM 0 HA THR A 60 -1.408 -9.433 -12.715 1.00 0.00 H new ATOM 0 HB THR A 60 0.509 -7.652 -14.272 1.00 0.00 H new ATOM 0 HG1 THR A 60 -1.010 -8.136 -15.997 1.00 0.00 H new ATOM 0 HG21 THR A 60 0.884 -9.569 -15.757 1.00 0.00 H new ATOM 0 HG22 THR A 60 1.459 -9.886 -14.103 1.00 0.00 H new ATOM 0 HG23 THR A 60 -0.073 -10.597 -14.664 1.00 0.00 H new ATOM 981 N GLU A 61 1.614 -8.336 -11.881 1.00 0.00 N ATOM 982 CA GLU A 61 2.846 -8.699 -11.187 1.00 0.00 C ATOM 983 C GLU A 61 2.735 -8.509 -9.674 1.00 0.00 C ATOM 984 O GLU A 61 3.560 -9.020 -8.918 1.00 0.00 O ATOM 985 CB GLU A 61 4.004 -7.861 -11.716 1.00 0.00 C ATOM 986 CG GLU A 61 3.984 -7.692 -13.221 1.00 0.00 C ATOM 987 CD GLU A 61 5.183 -6.931 -13.739 1.00 0.00 C ATOM 988 OE1 GLU A 61 5.006 -5.802 -14.245 1.00 0.00 O ATOM 989 OE2 GLU A 61 6.311 -7.457 -13.645 1.00 0.00 O ATOM 0 H GLU A 61 1.642 -7.421 -12.331 1.00 0.00 H new ATOM 0 HA GLU A 61 3.026 -9.757 -11.379 1.00 0.00 H new ATOM 0 HB2 GLU A 61 3.976 -6.878 -11.247 1.00 0.00 H new ATOM 0 HB3 GLU A 61 4.944 -8.327 -11.422 1.00 0.00 H new ATOM 0 HG2 GLU A 61 3.951 -8.674 -13.692 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.073 -7.168 -13.512 1.00 0.00 H new ATOM 996 N GLY A 62 1.722 -7.779 -9.236 1.00 0.00 N ATOM 997 CA GLY A 62 1.567 -7.518 -7.819 1.00 0.00 C ATOM 998 C GLY A 62 2.416 -6.356 -7.351 1.00 0.00 C ATOM 999 O GLY A 62 2.694 -5.438 -8.120 1.00 0.00 O ATOM 0 H GLY A 62 1.006 -7.363 -9.832 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.519 -7.309 -7.603 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.837 -8.412 -7.256 1.00 0.00 H new ATOM 1003 N PRO A 63 2.829 -6.370 -6.078 1.00 0.00 N ATOM 1004 CA PRO A 63 3.689 -5.331 -5.507 1.00 0.00 C ATOM 1005 C PRO A 63 5.049 -5.277 -6.197 1.00 0.00 C ATOM 1006 O PRO A 63 5.759 -6.282 -6.265 1.00 0.00 O ATOM 1007 CB PRO A 63 3.859 -5.753 -4.038 1.00 0.00 C ATOM 1008 CG PRO A 63 2.796 -6.767 -3.779 1.00 0.00 C ATOM 1009 CD PRO A 63 2.494 -7.415 -5.101 1.00 0.00 C ATOM 0 HA PRO A 63 3.255 -4.338 -5.626 1.00 0.00 H new ATOM 0 HB2 PRO A 63 4.850 -6.173 -3.864 1.00 0.00 H new ATOM 0 HB3 PRO A 63 3.754 -4.897 -3.371 1.00 0.00 H new ATOM 0 HG2 PRO A 63 3.134 -7.506 -3.053 1.00 0.00 H new ATOM 0 HG3 PRO A 63 1.904 -6.297 -3.364 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.091 -8.314 -5.254 1.00 0.00 H new ATOM 0 HD3 PRO A 63 1.448 -7.712 -5.173 1.00 0.00 H new ATOM 1017 N LEU A 64 5.409 -4.110 -6.716 1.00 0.00 N ATOM 1018 CA LEU A 64 6.713 -3.944 -7.351 1.00 0.00 C ATOM 1019 C LEU A 64 7.753 -3.661 -6.282 1.00 0.00 C ATOM 1020 O LEU A 64 7.936 -2.520 -5.862 1.00 0.00 O ATOM 1021 CB LEU A 64 6.733 -2.820 -8.403 1.00 0.00 C ATOM 1022 CG LEU A 64 5.762 -2.974 -9.583 1.00 0.00 C ATOM 1023 CD1 LEU A 64 5.810 -4.387 -10.130 1.00 0.00 C ATOM 1024 CD2 LEU A 64 4.348 -2.585 -9.196 1.00 0.00 C ATOM 0 H LEU A 64 4.826 -3.273 -6.711 1.00 0.00 H new ATOM 0 HA LEU A 64 6.938 -4.871 -7.878 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.514 -1.878 -7.901 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.745 -2.742 -8.801 1.00 0.00 H new ATOM 0 HG LEU A 64 6.081 -2.291 -10.370 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.116 -4.478 -10.965 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.820 -4.611 -10.472 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.528 -5.090 -9.346 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.689 -2.707 -10.056 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.005 -3.224 -8.382 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.333 -1.545 -8.872 1.00 0.00 H new ATOM 1036 N VAL A 65 8.416 -4.728 -5.853 1.00 0.00 N ATOM 1037 CA VAL A 65 9.379 -4.690 -4.759 1.00 0.00 C ATOM 1038 C VAL A 65 10.411 -3.581 -4.924 1.00 0.00 C ATOM 1039 O VAL A 65 10.695 -2.854 -3.977 1.00 0.00 O ATOM 1040 CB VAL A 65 10.107 -6.039 -4.628 1.00 0.00 C ATOM 1041 CG1 VAL A 65 11.204 -5.969 -3.573 1.00 0.00 C ATOM 1042 CG2 VAL A 65 9.116 -7.138 -4.298 1.00 0.00 C ATOM 0 H VAL A 65 8.299 -5.656 -6.260 1.00 0.00 H new ATOM 0 HA VAL A 65 8.806 -4.485 -3.855 1.00 0.00 H new ATOM 0 HB VAL A 65 10.578 -6.268 -5.584 1.00 0.00 H new ATOM 0 HG11 VAL A 65 11.702 -6.936 -3.501 1.00 0.00 H new ATOM 0 HG12 VAL A 65 11.931 -5.206 -3.854 1.00 0.00 H new ATOM 0 HG13 VAL A 65 10.765 -5.714 -2.608 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.643 -8.088 -4.208 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.618 -6.908 -3.356 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.373 -7.209 -5.093 1.00 0.00 H new ATOM 1052 N ASP A 66 10.966 -3.451 -6.120 1.00 0.00 N ATOM 1053 CA ASP A 66 12.007 -2.457 -6.366 1.00 0.00 C ATOM 1054 C ASP A 66 11.486 -1.043 -6.121 1.00 0.00 C ATOM 1055 O ASP A 66 12.087 -0.271 -5.372 1.00 0.00 O ATOM 1056 CB ASP A 66 12.537 -2.588 -7.787 1.00 0.00 C ATOM 1057 CG ASP A 66 13.629 -1.582 -8.088 1.00 0.00 C ATOM 1058 OD1 ASP A 66 14.702 -1.657 -7.455 1.00 0.00 O ATOM 1059 OD2 ASP A 66 13.424 -0.719 -8.967 1.00 0.00 O ATOM 0 H ASP A 66 10.717 -4.016 -6.932 1.00 0.00 H new ATOM 0 HA ASP A 66 12.823 -2.641 -5.667 1.00 0.00 H new ATOM 0 HB2 ASP A 66 12.923 -3.596 -7.937 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.717 -2.453 -8.492 1.00 0.00 H new ATOM 1064 N ASN A 67 10.356 -0.718 -6.741 1.00 0.00 N ATOM 1065 CA ASN A 67 9.713 0.580 -6.558 1.00 0.00 C ATOM 1066 C ASN A 67 9.383 0.804 -5.087 1.00 0.00 C ATOM 1067 O ASN A 67 9.519 1.911 -4.564 1.00 0.00 O ATOM 1068 CB ASN A 67 8.429 0.659 -7.386 1.00 0.00 C ATOM 1069 CG ASN A 67 8.674 0.622 -8.885 1.00 0.00 C ATOM 1070 OD1 ASN A 67 9.684 0.096 -9.356 1.00 0.00 O ATOM 1071 ND2 ASN A 67 7.737 1.158 -9.645 1.00 0.00 N ATOM 0 H ASN A 67 9.863 -1.341 -7.380 1.00 0.00 H new ATOM 0 HA ASN A 67 10.403 1.354 -6.893 1.00 0.00 H new ATOM 0 HB2 ASN A 67 7.777 -0.170 -7.111 1.00 0.00 H new ATOM 0 HB3 ASN A 67 7.899 1.578 -7.135 1.00 0.00 H new ATOM 0 HD21 ASN A 67 7.835 1.146 -10.660 1.00 0.00 H new ATOM 0 HD22 ASN A 67 6.915 1.584 -9.217 1.00 0.00 H new ATOM 1078 N LEU A 68 8.971 -0.272 -4.430 1.00 0.00 N ATOM 1079 CA LEU A 68 8.592 -0.242 -3.024 1.00 0.00 C ATOM 1080 C LEU A 68 9.762 0.168 -2.143 1.00 0.00 C ATOM 1081 O LEU A 68 9.601 0.943 -1.207 1.00 0.00 O ATOM 1082 CB LEU A 68 8.042 -1.606 -2.608 1.00 0.00 C ATOM 1083 CG LEU A 68 6.570 -1.815 -2.952 1.00 0.00 C ATOM 1084 CD1 LEU A 68 6.221 -3.290 -2.961 1.00 0.00 C ATOM 1085 CD2 LEU A 68 5.693 -1.074 -1.961 1.00 0.00 C ATOM 0 H LEU A 68 8.890 -1.194 -4.859 1.00 0.00 H new ATOM 0 HA LEU A 68 7.812 0.508 -2.891 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.631 -2.386 -3.090 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.173 -1.726 -1.533 1.00 0.00 H new ATOM 0 HG LEU A 68 6.391 -1.417 -3.951 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.167 -3.413 -3.209 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.831 -3.804 -3.704 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.414 -3.716 -1.976 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.645 -1.230 -2.216 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.882 -1.450 -0.956 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.921 -0.009 -1.999 1.00 0.00 H new ATOM 1097 N VAL A 69 10.939 -0.337 -2.463 1.00 0.00 N ATOM 1098 CA VAL A 69 12.144 0.019 -1.735 1.00 0.00 C ATOM 1099 C VAL A 69 12.558 1.452 -2.054 1.00 0.00 C ATOM 1100 O VAL A 69 12.951 2.203 -1.168 1.00 0.00 O ATOM 1101 CB VAL A 69 13.292 -0.940 -2.073 1.00 0.00 C ATOM 1102 CG1 VAL A 69 14.536 -0.585 -1.283 1.00 0.00 C ATOM 1103 CG2 VAL A 69 12.885 -2.373 -1.800 1.00 0.00 C ATOM 0 H VAL A 69 11.087 -0.998 -3.226 1.00 0.00 H new ATOM 0 HA VAL A 69 11.926 -0.060 -0.670 1.00 0.00 H new ATOM 0 HB VAL A 69 13.518 -0.840 -3.135 1.00 0.00 H new ATOM 0 HG11 VAL A 69 15.339 -1.277 -1.537 1.00 0.00 H new ATOM 0 HG12 VAL A 69 14.843 0.432 -1.526 1.00 0.00 H new ATOM 0 HG13 VAL A 69 14.322 -0.654 -0.216 1.00 0.00 H new ATOM 0 HG21 VAL A 69 13.712 -3.039 -2.046 1.00 0.00 H new ATOM 0 HG22 VAL A 69 12.630 -2.484 -0.746 1.00 0.00 H new ATOM 0 HG23 VAL A 69 12.020 -2.628 -2.412 1.00 0.00 H new ATOM 1113 N HIS A 70 12.451 1.835 -3.322 1.00 0.00 N ATOM 1114 CA HIS A 70 12.808 3.191 -3.738 1.00 0.00 C ATOM 1115 C HIS A 70 11.961 4.242 -3.022 1.00 0.00 C ATOM 1116 O HIS A 70 12.412 5.364 -2.792 1.00 0.00 O ATOM 1117 CB HIS A 70 12.667 3.359 -5.251 1.00 0.00 C ATOM 1118 CG HIS A 70 13.827 2.821 -6.034 1.00 0.00 C ATOM 1119 ND1 HIS A 70 14.000 1.638 -6.666 1.00 0.00 N flip ATOM 1120 CD2 HIS A 70 14.985 3.538 -6.250 1.00 0.00 C flip ATOM 1121 CE1 HIS A 70 15.242 1.666 -7.246 1.00 0.00 C flip ATOM 1122 NE2 HIS A 70 15.816 2.821 -6.981 1.00 0.00 N flip ATOM 0 H HIS A 70 12.123 1.232 -4.076 1.00 0.00 H new ATOM 0 HA HIS A 70 13.851 3.343 -3.461 1.00 0.00 H new ATOM 0 HB2 HIS A 70 11.756 2.857 -5.579 1.00 0.00 H new ATOM 0 HB3 HIS A 70 12.547 4.418 -5.479 1.00 0.00 H new ATOM 0 HD1 HIS A 70 13.331 0.869 -6.704 1.00 0.00 H new ATOM 0 HD2 HIS A 70 15.181 4.533 -5.878 1.00 0.00 H new ATOM 0 HE1 HIS A 70 15.680 0.868 -7.827 1.00 0.00 H new ATOM 1131 N GLN A 71 10.736 3.879 -2.670 1.00 0.00 N ATOM 1132 CA GLN A 71 9.837 4.805 -1.996 1.00 0.00 C ATOM 1133 C GLN A 71 9.990 4.698 -0.476 1.00 0.00 C ATOM 1134 O GLN A 71 10.368 5.666 0.184 1.00 0.00 O ATOM 1135 CB GLN A 71 8.387 4.522 -2.408 1.00 0.00 C ATOM 1136 CG GLN A 71 7.532 5.772 -2.610 1.00 0.00 C ATOM 1137 CD GLN A 71 7.203 6.510 -1.328 1.00 0.00 C ATOM 1138 OE1 GLN A 71 6.194 6.239 -0.680 1.00 0.00 O ATOM 1139 NE2 GLN A 71 8.047 7.460 -0.959 1.00 0.00 N ATOM 0 H GLN A 71 10.343 2.953 -2.839 1.00 0.00 H new ATOM 0 HA GLN A 71 10.097 5.821 -2.294 1.00 0.00 H new ATOM 0 HB2 GLN A 71 8.391 3.946 -3.333 1.00 0.00 H new ATOM 0 HB3 GLN A 71 7.921 3.897 -1.646 1.00 0.00 H new ATOM 0 HG2 GLN A 71 8.054 6.451 -3.284 1.00 0.00 H new ATOM 0 HG3 GLN A 71 6.602 5.487 -3.102 1.00 0.00 H new ATOM 0 HE21 GLN A 71 8.874 7.655 -1.524 1.00 0.00 H new ATOM 0 HE22 GLN A 71 7.871 7.997 -0.110 1.00 0.00 H new ATOM 1148 N LEU A 72 9.724 3.507 0.057 1.00 0.00 N ATOM 1149 CA LEU A 72 9.701 3.281 1.506 1.00 0.00 C ATOM 1150 C LEU A 72 11.049 3.548 2.167 1.00 0.00 C ATOM 1151 O LEU A 72 11.105 4.121 3.254 1.00 0.00 O ATOM 1152 CB LEU A 72 9.251 1.854 1.829 1.00 0.00 C ATOM 1153 CG LEU A 72 7.774 1.555 1.566 1.00 0.00 C ATOM 1154 CD1 LEU A 72 7.495 0.071 1.749 1.00 0.00 C ATOM 1155 CD2 LEU A 72 6.881 2.369 2.492 1.00 0.00 C ATOM 0 H LEU A 72 9.519 2.675 -0.496 1.00 0.00 H new ATOM 0 HA LEU A 72 8.984 3.995 1.912 1.00 0.00 H new ATOM 0 HB2 LEU A 72 9.854 1.160 1.244 1.00 0.00 H new ATOM 0 HB3 LEU A 72 9.463 1.653 2.879 1.00 0.00 H new ATOM 0 HG LEU A 72 7.551 1.836 0.537 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.440 -0.127 1.559 1.00 0.00 H new ATOM 0 HD12 LEU A 72 8.104 -0.503 1.050 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.741 -0.222 2.770 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.836 2.138 2.285 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.109 2.121 3.529 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.058 3.432 2.326 1.00 0.00 H new ATOM 1167 N ALA A 73 12.137 3.138 1.518 1.00 0.00 N ATOM 1168 CA ALA A 73 13.481 3.341 2.059 1.00 0.00 C ATOM 1169 C ALA A 73 13.924 4.802 1.953 1.00 0.00 C ATOM 1170 O ALA A 73 15.104 5.096 1.748 1.00 0.00 O ATOM 1171 CB ALA A 73 14.470 2.421 1.365 1.00 0.00 C ATOM 0 H ALA A 73 12.115 2.663 0.616 1.00 0.00 H new ATOM 0 HA ALA A 73 13.455 3.092 3.120 1.00 0.00 H new ATOM 0 HB1 ALA A 73 15.467 2.581 1.776 1.00 0.00 H new ATOM 0 HB2 ALA A 73 14.175 1.384 1.523 1.00 0.00 H new ATOM 0 HB3 ALA A 73 14.479 2.637 0.297 1.00 0.00 H new ATOM 1177 N HIS A 74 12.961 5.704 2.089 1.00 0.00 N ATOM 1178 CA HIS A 74 13.207 7.139 2.064 1.00 0.00 C ATOM 1179 C HIS A 74 13.940 7.561 3.338 1.00 0.00 C ATOM 1180 O HIS A 74 13.333 8.071 4.282 1.00 0.00 O ATOM 1181 CB HIS A 74 11.863 7.886 1.930 1.00 0.00 C ATOM 1182 CG HIS A 74 11.974 9.379 1.831 1.00 0.00 C ATOM 1183 ND1 HIS A 74 11.555 10.228 2.833 1.00 0.00 N ATOM 1184 CD2 HIS A 74 12.427 10.176 0.833 1.00 0.00 C ATOM 1185 CE1 HIS A 74 11.747 11.477 2.458 1.00 0.00 C ATOM 1186 NE2 HIS A 74 12.274 11.475 1.250 1.00 0.00 N ATOM 0 H HIS A 74 11.980 5.458 2.221 1.00 0.00 H new ATOM 0 HA HIS A 74 13.834 7.392 1.209 1.00 0.00 H new ATOM 0 HB2 HIS A 74 11.346 7.516 1.045 1.00 0.00 H new ATOM 0 HB3 HIS A 74 11.240 7.639 2.790 1.00 0.00 H new ATOM 0 HD1 HIS A 74 11.158 9.935 3.726 1.00 0.00 H new ATOM 0 HD2 HIS A 74 12.833 9.850 -0.113 1.00 0.00 H new ATOM 0 HE1 HIS A 74 11.512 12.354 3.042 1.00 0.00 H new ATOM 1195 N GLY A 75 15.244 7.325 3.364 1.00 0.00 N ATOM 1196 CA GLY A 75 16.049 7.690 4.511 1.00 0.00 C ATOM 1197 C GLY A 75 16.345 6.512 5.418 1.00 0.00 C ATOM 1198 O GLY A 75 16.498 6.684 6.629 1.00 0.00 O ATOM 0 H GLY A 75 15.762 6.884 2.604 1.00 0.00 H new ATOM 0 HA2 GLY A 75 16.988 8.123 4.167 1.00 0.00 H new ATOM 0 HA3 GLY A 75 15.532 8.461 5.082 1.00 0.00 H new ATOM 1202 N ARG A 76 16.431 5.316 4.837 1.00 0.00 N ATOM 1203 CA ARG A 76 16.707 4.103 5.607 1.00 0.00 C ATOM 1204 C ARG A 76 17.370 3.037 4.741 1.00 0.00 C ATOM 1205 O ARG A 76 17.435 3.170 3.517 1.00 0.00 O ATOM 1206 CB ARG A 76 15.421 3.558 6.234 1.00 0.00 C ATOM 1207 CG ARG A 76 15.201 4.041 7.658 1.00 0.00 C ATOM 1208 CD ARG A 76 13.992 3.385 8.299 1.00 0.00 C ATOM 1209 NE ARG A 76 14.132 1.935 8.402 1.00 0.00 N ATOM 1210 CZ ARG A 76 13.152 1.120 8.792 1.00 0.00 C ATOM 1211 NH1 ARG A 76 11.961 1.612 9.109 1.00 0.00 N ATOM 1212 NH2 ARG A 76 13.363 -0.187 8.881 1.00 0.00 N ATOM 0 H ARG A 76 16.314 5.161 3.836 1.00 0.00 H new ATOM 0 HA ARG A 76 17.400 4.367 6.406 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.570 3.855 5.620 1.00 0.00 H new ATOM 0 HB3 ARG A 76 15.454 2.469 6.227 1.00 0.00 H new ATOM 0 HG2 ARG A 76 16.088 3.828 8.254 1.00 0.00 H new ATOM 0 HG3 ARG A 76 15.069 5.123 7.658 1.00 0.00 H new ATOM 0 HD2 ARG A 76 13.840 3.804 9.294 1.00 0.00 H new ATOM 0 HD3 ARG A 76 13.102 3.620 7.715 1.00 0.00 H new ATOM 0 HE ARG A 76 15.033 1.522 8.161 1.00 0.00 H new ATOM 0 HH11 ARG A 76 11.793 2.617 9.055 1.00 0.00 H new ATOM 0 HH12 ARG A 76 11.213 0.986 9.407 1.00 0.00 H new ATOM 0 HH21 ARG A 76 14.279 -0.573 8.650 1.00 0.00 H new ATOM 0 HH22 ARG A 76 12.609 -0.806 9.180 1.00 0.00 H new ATOM 1226 N ASP A 77 17.862 1.983 5.395 1.00 0.00 N ATOM 1227 CA ASP A 77 18.562 0.892 4.721 1.00 0.00 C ATOM 1228 C ASP A 77 17.629 0.144 3.783 1.00 0.00 C ATOM 1229 O ASP A 77 16.717 -0.562 4.217 1.00 0.00 O ATOM 1230 CB ASP A 77 19.146 -0.083 5.746 1.00 0.00 C ATOM 1231 CG ASP A 77 20.038 0.596 6.763 1.00 0.00 C ATOM 1232 OD1 ASP A 77 19.548 0.895 7.875 1.00 0.00 O ATOM 1233 OD2 ASP A 77 21.226 0.830 6.460 1.00 0.00 O ATOM 0 H ASP A 77 17.786 1.863 6.405 1.00 0.00 H new ATOM 0 HA ASP A 77 19.372 1.327 4.136 1.00 0.00 H new ATOM 0 HB2 ASP A 77 18.331 -0.588 6.265 1.00 0.00 H new ATOM 0 HB3 ASP A 77 19.717 -0.851 5.225 1.00 0.00 H new ATOM 1238 N ALA A 78 17.889 0.303 2.494 1.00 0.00 N ATOM 1239 CA ALA A 78 17.075 -0.285 1.440 1.00 0.00 C ATOM 1240 C ALA A 78 16.965 -1.803 1.564 1.00 0.00 C ATOM 1241 O ALA A 78 15.900 -2.368 1.325 1.00 0.00 O ATOM 1242 CB ALA A 78 17.662 0.083 0.091 1.00 0.00 C ATOM 0 H ALA A 78 18.678 0.849 2.147 1.00 0.00 H new ATOM 0 HA ALA A 78 16.066 0.116 1.537 1.00 0.00 H new ATOM 0 HB1 ALA A 78 17.055 -0.355 -0.702 1.00 0.00 H new ATOM 0 HB2 ALA A 78 17.672 1.168 -0.018 1.00 0.00 H new ATOM 0 HB3 ALA A 78 18.681 -0.298 0.021 1.00 0.00 H new ATOM 1248 N GLU A 79 18.060 -2.454 1.938 1.00 0.00 N ATOM 1249 CA GLU A 79 18.080 -3.913 2.054 1.00 0.00 C ATOM 1250 C GLU A 79 17.082 -4.399 3.100 1.00 0.00 C ATOM 1251 O GLU A 79 16.360 -5.375 2.882 1.00 0.00 O ATOM 1252 CB GLU A 79 19.475 -4.414 2.410 1.00 0.00 C ATOM 1253 CG GLU A 79 20.496 -4.221 1.305 1.00 0.00 C ATOM 1254 CD GLU A 79 21.806 -4.910 1.616 1.00 0.00 C ATOM 1255 OE1 GLU A 79 22.581 -4.379 2.437 1.00 0.00 O ATOM 1256 OE2 GLU A 79 22.064 -5.991 1.046 1.00 0.00 O ATOM 0 H GLU A 79 18.944 -2.000 2.166 1.00 0.00 H new ATOM 0 HA GLU A 79 17.794 -4.317 1.083 1.00 0.00 H new ATOM 0 HB2 GLU A 79 19.820 -3.896 3.305 1.00 0.00 H new ATOM 0 HB3 GLU A 79 19.418 -5.474 2.658 1.00 0.00 H new ATOM 0 HG2 GLU A 79 20.095 -4.610 0.369 1.00 0.00 H new ATOM 0 HG3 GLU A 79 20.673 -3.156 1.157 1.00 0.00 H new ATOM 1263 N GLU A 80 17.047 -3.712 4.236 1.00 0.00 N ATOM 1264 CA GLU A 80 16.108 -4.035 5.296 1.00 0.00 C ATOM 1265 C GLU A 80 14.683 -3.797 4.815 1.00 0.00 C ATOM 1266 O GLU A 80 13.798 -4.634 5.009 1.00 0.00 O ATOM 1267 CB GLU A 80 16.404 -3.189 6.532 1.00 0.00 C ATOM 1268 CG GLU A 80 15.387 -3.362 7.643 1.00 0.00 C ATOM 1269 CD GLU A 80 15.803 -2.675 8.923 1.00 0.00 C ATOM 1270 OE1 GLU A 80 16.205 -3.377 9.872 1.00 0.00 O ATOM 1271 OE2 GLU A 80 15.740 -1.428 8.986 1.00 0.00 O ATOM 0 H GLU A 80 17.662 -2.925 4.444 1.00 0.00 H new ATOM 0 HA GLU A 80 16.216 -5.087 5.562 1.00 0.00 H new ATOM 0 HB2 GLU A 80 17.392 -3.449 6.912 1.00 0.00 H new ATOM 0 HB3 GLU A 80 16.439 -2.139 6.243 1.00 0.00 H new ATOM 0 HG2 GLU A 80 14.426 -2.963 7.317 1.00 0.00 H new ATOM 0 HG3 GLU A 80 15.242 -4.425 7.836 1.00 0.00 H new ATOM 1278 N VAL A 81 14.484 -2.658 4.164 1.00 0.00 N ATOM 1279 CA VAL A 81 13.191 -2.294 3.606 1.00 0.00 C ATOM 1280 C VAL A 81 12.696 -3.348 2.616 1.00 0.00 C ATOM 1281 O VAL A 81 11.556 -3.800 2.708 1.00 0.00 O ATOM 1282 CB VAL A 81 13.268 -0.917 2.925 1.00 0.00 C ATOM 1283 CG1 VAL A 81 11.956 -0.560 2.248 1.00 0.00 C ATOM 1284 CG2 VAL A 81 13.643 0.132 3.950 1.00 0.00 C ATOM 0 H VAL A 81 15.214 -1.963 4.009 1.00 0.00 H new ATOM 0 HA VAL A 81 12.476 -2.242 4.427 1.00 0.00 H new ATOM 0 HB VAL A 81 14.034 -0.955 2.150 1.00 0.00 H new ATOM 0 HG11 VAL A 81 12.044 0.419 1.777 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.722 -1.308 1.490 1.00 0.00 H new ATOM 0 HG13 VAL A 81 11.159 -0.534 2.991 1.00 0.00 H new ATOM 0 HG21 VAL A 81 13.698 1.108 3.468 1.00 0.00 H new ATOM 0 HG22 VAL A 81 12.889 0.158 4.737 1.00 0.00 H new ATOM 0 HG23 VAL A 81 14.612 -0.113 4.384 1.00 0.00 H new ATOM 1294 N ARG A 82 13.564 -3.743 1.683 1.00 0.00 N ATOM 1295 CA ARG A 82 13.235 -4.778 0.712 1.00 0.00 C ATOM 1296 C ARG A 82 12.818 -6.062 1.410 1.00 0.00 C ATOM 1297 O ARG A 82 11.844 -6.702 1.027 1.00 0.00 O ATOM 1298 CB ARG A 82 14.431 -5.077 -0.184 1.00 0.00 C ATOM 1299 CG ARG A 82 14.068 -5.979 -1.345 1.00 0.00 C ATOM 1300 CD ARG A 82 15.294 -6.539 -2.030 1.00 0.00 C ATOM 1301 NE ARG A 82 14.935 -7.390 -3.164 1.00 0.00 N ATOM 1302 CZ ARG A 82 15.588 -8.501 -3.501 1.00 0.00 C ATOM 1303 NH1 ARG A 82 16.656 -8.886 -2.812 1.00 0.00 N ATOM 1304 NH2 ARG A 82 15.173 -9.227 -4.529 1.00 0.00 N ATOM 0 H ARG A 82 14.503 -3.358 1.582 1.00 0.00 H new ATOM 0 HA ARG A 82 12.408 -4.406 0.107 1.00 0.00 H new ATOM 0 HB2 ARG A 82 14.838 -4.141 -0.567 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.216 -5.548 0.407 1.00 0.00 H new ATOM 0 HG2 ARG A 82 13.446 -6.799 -0.987 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.473 -5.420 -2.067 1.00 0.00 H new ATOM 0 HD2 ARG A 82 15.925 -5.720 -2.374 1.00 0.00 H new ATOM 0 HD3 ARG A 82 15.881 -7.114 -1.314 1.00 0.00 H new ATOM 0 HE ARG A 82 14.134 -7.115 -3.733 1.00 0.00 H new ATOM 0 HH11 ARG A 82 16.980 -8.330 -2.020 1.00 0.00 H new ATOM 0 HH12 ARG A 82 17.152 -9.738 -3.074 1.00 0.00 H new ATOM 0 HH21 ARG A 82 14.354 -8.935 -5.062 1.00 0.00 H new ATOM 0 HH22 ARG A 82 15.673 -10.078 -4.787 1.00 0.00 H new ATOM 1318 N THR A 83 13.569 -6.423 2.438 1.00 0.00 N ATOM 1319 CA THR A 83 13.335 -7.653 3.177 1.00 0.00 C ATOM 1320 C THR A 83 11.943 -7.662 3.812 1.00 0.00 C ATOM 1321 O THR A 83 11.168 -8.604 3.624 1.00 0.00 O ATOM 1322 CB THR A 83 14.419 -7.825 4.257 1.00 0.00 C ATOM 1323 OG1 THR A 83 15.674 -8.135 3.632 1.00 0.00 O ATOM 1324 CG2 THR A 83 14.050 -8.907 5.256 1.00 0.00 C ATOM 0 H THR A 83 14.356 -5.873 2.783 1.00 0.00 H new ATOM 0 HA THR A 83 13.386 -8.489 2.479 1.00 0.00 H new ATOM 0 HB THR A 83 14.503 -6.887 4.806 1.00 0.00 H new ATOM 0 HG1 THR A 83 16.085 -7.311 3.296 1.00 0.00 H new ATOM 0 HG21 THR A 83 14.840 -8.998 6.002 1.00 0.00 H new ATOM 0 HG22 THR A 83 13.114 -8.643 5.749 1.00 0.00 H new ATOM 0 HG23 THR A 83 13.931 -9.857 4.736 1.00 0.00 H new ATOM 1332 N GLU A 84 11.638 -6.606 4.557 1.00 0.00 N ATOM 1333 CA GLU A 84 10.332 -6.456 5.188 1.00 0.00 C ATOM 1334 C GLU A 84 9.209 -6.512 4.151 1.00 0.00 C ATOM 1335 O GLU A 84 8.172 -7.137 4.385 1.00 0.00 O ATOM 1336 CB GLU A 84 10.265 -5.136 5.958 1.00 0.00 C ATOM 1337 CG GLU A 84 11.267 -5.029 7.097 1.00 0.00 C ATOM 1338 CD GLU A 84 11.048 -6.068 8.177 1.00 0.00 C ATOM 1339 OE1 GLU A 84 10.282 -5.791 9.127 1.00 0.00 O ATOM 1340 OE2 GLU A 84 11.646 -7.160 8.092 1.00 0.00 O ATOM 0 H GLU A 84 12.282 -5.836 4.740 1.00 0.00 H new ATOM 0 HA GLU A 84 10.197 -7.284 5.883 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.433 -4.313 5.263 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.259 -5.013 6.360 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.276 -5.135 6.698 1.00 0.00 H new ATOM 0 HG3 GLU A 84 11.202 -4.035 7.539 1.00 0.00 H new ATOM 1347 N VAL A 85 9.420 -5.852 3.012 1.00 0.00 N ATOM 1348 CA VAL A 85 8.453 -5.868 1.919 1.00 0.00 C ATOM 1349 C VAL A 85 8.228 -7.286 1.396 1.00 0.00 C ATOM 1350 O VAL A 85 7.090 -7.735 1.272 1.00 0.00 O ATOM 1351 CB VAL A 85 8.913 -4.968 0.753 1.00 0.00 C ATOM 1352 CG1 VAL A 85 8.089 -5.236 -0.493 1.00 0.00 C ATOM 1353 CG2 VAL A 85 8.819 -3.504 1.142 1.00 0.00 C ATOM 0 H VAL A 85 10.256 -5.298 2.824 1.00 0.00 H new ATOM 0 HA VAL A 85 7.516 -5.483 2.321 1.00 0.00 H new ATOM 0 HB VAL A 85 9.954 -5.204 0.533 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.431 -4.590 -1.301 1.00 0.00 H new ATOM 0 HG12 VAL A 85 8.204 -6.279 -0.788 1.00 0.00 H new ATOM 0 HG13 VAL A 85 7.039 -5.032 -0.285 1.00 0.00 H new ATOM 0 HG21 VAL A 85 9.147 -2.884 0.308 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.787 -3.259 1.392 1.00 0.00 H new ATOM 0 HG23 VAL A 85 9.456 -3.316 2.007 1.00 0.00 H new ATOM 1363 N LEU A 86 9.323 -7.984 1.106 1.00 0.00 N ATOM 1364 CA LEU A 86 9.273 -9.324 0.528 1.00 0.00 C ATOM 1365 C LEU A 86 8.455 -10.286 1.380 1.00 0.00 C ATOM 1366 O LEU A 86 7.799 -11.184 0.855 1.00 0.00 O ATOM 1367 CB LEU A 86 10.687 -9.875 0.348 1.00 0.00 C ATOM 1368 CG LEU A 86 11.501 -9.220 -0.761 1.00 0.00 C ATOM 1369 CD1 LEU A 86 12.960 -9.622 -0.648 1.00 0.00 C ATOM 1370 CD2 LEU A 86 10.948 -9.607 -2.120 1.00 0.00 C ATOM 0 H LEU A 86 10.269 -7.637 1.265 1.00 0.00 H new ATOM 0 HA LEU A 86 8.784 -9.238 -0.442 1.00 0.00 H new ATOM 0 HB2 LEU A 86 11.226 -9.762 1.288 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.620 -10.944 0.145 1.00 0.00 H new ATOM 0 HG LEU A 86 11.430 -8.138 -0.655 1.00 0.00 H new ATOM 0 HD11 LEU A 86 13.531 -9.147 -1.446 1.00 0.00 H new ATOM 0 HD12 LEU A 86 13.352 -9.303 0.318 1.00 0.00 H new ATOM 0 HD13 LEU A 86 13.047 -10.705 -0.734 1.00 0.00 H new ATOM 0 HD21 LEU A 86 11.540 -9.132 -2.902 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.995 -10.690 -2.237 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.912 -9.278 -2.198 1.00 0.00 H new ATOM 1382 N LYS A 87 8.483 -10.090 2.691 1.00 0.00 N ATOM 1383 CA LYS A 87 7.750 -10.958 3.609 1.00 0.00 C ATOM 1384 C LYS A 87 6.264 -10.611 3.622 1.00 0.00 C ATOM 1385 O LYS A 87 5.457 -11.283 4.266 1.00 0.00 O ATOM 1386 CB LYS A 87 8.337 -10.862 5.016 1.00 0.00 C ATOM 1387 CG LYS A 87 9.692 -11.537 5.148 1.00 0.00 C ATOM 1388 CD LYS A 87 10.262 -11.381 6.548 1.00 0.00 C ATOM 1389 CE LYS A 87 10.539 -9.925 6.880 1.00 0.00 C ATOM 1390 NZ LYS A 87 11.101 -9.760 8.242 1.00 0.00 N ATOM 0 H LYS A 87 9.004 -9.339 3.145 1.00 0.00 H new ATOM 0 HA LYS A 87 7.852 -11.985 3.259 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.433 -9.812 5.291 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.643 -11.315 5.724 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.596 -12.596 4.910 1.00 0.00 H new ATOM 0 HG3 LYS A 87 10.384 -11.109 4.423 1.00 0.00 H new ATOM 0 HD2 LYS A 87 9.562 -11.794 7.275 1.00 0.00 H new ATOM 0 HD3 LYS A 87 11.184 -11.956 6.632 1.00 0.00 H new ATOM 0 HE2 LYS A 87 11.235 -9.513 6.149 1.00 0.00 H new ATOM 0 HE3 LYS A 87 9.615 -9.353 6.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 11.400 -8.773 8.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 10.377 -10.002 8.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 11.921 -10.389 8.358 1.00 0.00 H new ATOM 1404 N CYS A 88 5.913 -9.559 2.905 1.00 0.00 N ATOM 1405 CA CYS A 88 4.524 -9.160 2.753 1.00 0.00 C ATOM 1406 C CYS A 88 4.071 -9.350 1.309 1.00 0.00 C ATOM 1407 O CYS A 88 2.895 -9.189 0.984 1.00 0.00 O ATOM 1408 CB CYS A 88 4.338 -7.709 3.194 1.00 0.00 C ATOM 1409 SG CYS A 88 4.263 -7.498 5.005 1.00 0.00 S ATOM 0 H CYS A 88 6.577 -8.960 2.414 1.00 0.00 H new ATOM 0 HA CYS A 88 3.906 -9.793 3.390 1.00 0.00 H new ATOM 0 HB2 CYS A 88 5.160 -7.111 2.801 1.00 0.00 H new ATOM 0 HB3 CYS A 88 3.421 -7.319 2.753 1.00 0.00 H new ATOM 1414 N VAL A 89 5.022 -9.687 0.442 1.00 0.00 N ATOM 1415 CA VAL A 89 4.726 -9.990 -0.946 1.00 0.00 C ATOM 1416 C VAL A 89 4.424 -11.472 -1.102 1.00 0.00 C ATOM 1417 O VAL A 89 5.332 -12.307 -1.085 1.00 0.00 O ATOM 1418 CB VAL A 89 5.902 -9.619 -1.870 1.00 0.00 C ATOM 1419 CG1 VAL A 89 5.582 -9.972 -3.310 1.00 0.00 C ATOM 1420 CG2 VAL A 89 6.240 -8.146 -1.754 1.00 0.00 C ATOM 0 H VAL A 89 6.011 -9.756 0.684 1.00 0.00 H new ATOM 0 HA VAL A 89 3.858 -9.397 -1.233 1.00 0.00 H new ATOM 0 HB VAL A 89 6.771 -10.196 -1.554 1.00 0.00 H new ATOM 0 HG11 VAL A 89 6.425 -9.702 -3.947 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.395 -11.043 -3.389 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.696 -9.425 -3.630 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.073 -7.911 -2.416 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.372 -7.550 -2.037 1.00 0.00 H new ATOM 0 HG23 VAL A 89 6.518 -7.916 -0.725 1.00 0.00 H new ATOM 1430 N ASP A 90 3.151 -11.798 -1.225 1.00 0.00 N ATOM 1431 CA ASP A 90 2.739 -13.179 -1.401 1.00 0.00 C ATOM 1432 C ASP A 90 1.895 -13.328 -2.661 1.00 0.00 C ATOM 1433 O ASP A 90 1.644 -12.351 -3.366 1.00 0.00 O ATOM 1434 CB ASP A 90 1.970 -13.677 -0.167 1.00 0.00 C ATOM 1435 CG ASP A 90 0.505 -13.279 -0.156 1.00 0.00 C ATOM 1436 OD1 ASP A 90 0.202 -12.068 -0.169 1.00 0.00 O ATOM 1437 OD2 ASP A 90 -0.352 -14.185 -0.090 1.00 0.00 O ATOM 0 H ASP A 90 2.384 -11.126 -1.206 1.00 0.00 H new ATOM 0 HA ASP A 90 3.633 -13.793 -1.514 1.00 0.00 H new ATOM 0 HB2 ASP A 90 2.042 -14.764 -0.120 1.00 0.00 H new ATOM 0 HB3 ASP A 90 2.450 -13.286 0.730 1.00 0.00 H new ATOM 1442 N LYS A 91 1.469 -14.551 -2.935 1.00 0.00 N ATOM 1443 CA LYS A 91 0.731 -14.863 -4.154 1.00 0.00 C ATOM 1444 C LYS A 91 -0.729 -14.429 -4.062 1.00 0.00 C ATOM 1445 O LYS A 91 -1.310 -14.357 -2.977 1.00 0.00 O ATOM 1446 CB LYS A 91 0.793 -16.363 -4.432 1.00 0.00 C ATOM 1447 CG LYS A 91 2.184 -16.944 -4.295 1.00 0.00 C ATOM 1448 CD LYS A 91 2.181 -18.444 -4.521 1.00 0.00 C ATOM 1449 CE LYS A 91 3.594 -19.002 -4.572 1.00 0.00 C ATOM 1450 NZ LYS A 91 4.354 -18.485 -5.742 1.00 0.00 N ATOM 0 H LYS A 91 1.623 -15.353 -2.324 1.00 0.00 H new ATOM 0 HA LYS A 91 1.199 -14.311 -4.969 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.122 -16.880 -3.746 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.426 -16.553 -5.440 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.851 -16.468 -5.013 1.00 0.00 H new ATOM 0 HG3 LYS A 91 2.576 -16.725 -3.302 1.00 0.00 H new ATOM 0 HD2 LYS A 91 1.624 -18.932 -3.721 1.00 0.00 H new ATOM 0 HD3 LYS A 91 1.665 -18.672 -5.454 1.00 0.00 H new ATOM 0 HE2 LYS A 91 4.120 -18.742 -3.654 1.00 0.00 H new ATOM 0 HE3 LYS A 91 3.553 -20.090 -4.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 5.176 -19.097 -5.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 3.739 -18.479 -6.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 4.680 -17.517 -5.544 1.00 0.00 H new ATOM 1464 N ASN A 92 -1.312 -14.157 -5.221 1.00 0.00 N ATOM 1465 CA ASN A 92 -2.711 -13.755 -5.330 1.00 0.00 C ATOM 1466 C ASN A 92 -3.620 -14.976 -5.221 1.00 0.00 C ATOM 1467 O ASN A 92 -4.159 -15.461 -6.218 1.00 0.00 O ATOM 1468 CB ASN A 92 -2.935 -13.039 -6.665 1.00 0.00 C ATOM 1469 CG ASN A 92 -4.329 -12.454 -6.826 1.00 0.00 C ATOM 1470 OD1 ASN A 92 -5.056 -12.257 -5.855 1.00 0.00 O ATOM 1471 ND2 ASN A 92 -4.689 -12.138 -8.064 1.00 0.00 N ATOM 0 H ASN A 92 -0.828 -14.209 -6.117 1.00 0.00 H new ATOM 0 HA ASN A 92 -2.954 -13.073 -4.515 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -2.202 -12.238 -6.764 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -2.751 -13.741 -7.478 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -5.600 -11.714 -8.238 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -4.054 -12.319 -8.842 1.00 0.00 H new ATOM 1478 N THR A 93 -3.778 -15.469 -4.001 1.00 0.00 N ATOM 1479 CA THR A 93 -4.539 -16.687 -3.754 1.00 0.00 C ATOM 1480 C THR A 93 -6.033 -16.409 -3.667 1.00 0.00 C ATOM 1481 O THR A 93 -6.855 -17.307 -3.845 1.00 0.00 O ATOM 1482 CB THR A 93 -4.078 -17.367 -2.453 1.00 0.00 C ATOM 1483 OG1 THR A 93 -4.244 -16.473 -1.343 1.00 0.00 O ATOM 1484 CG2 THR A 93 -2.624 -17.783 -2.555 1.00 0.00 C ATOM 0 H THR A 93 -3.387 -15.042 -3.161 1.00 0.00 H new ATOM 0 HA THR A 93 -4.355 -17.351 -4.599 1.00 0.00 H new ATOM 0 HB THR A 93 -4.689 -18.256 -2.296 1.00 0.00 H new ATOM 0 HG1 THR A 93 -3.950 -16.916 -0.520 1.00 0.00 H new ATOM 0 HG21 THR A 93 -2.317 -18.262 -1.625 1.00 0.00 H new ATOM 0 HG22 THR A 93 -2.503 -18.483 -3.381 1.00 0.00 H new ATOM 0 HG23 THR A 93 -2.005 -16.903 -2.732 1.00 0.00 H new ATOM 1492 N ASP A 94 -6.382 -15.164 -3.389 1.00 0.00 N ATOM 1493 CA ASP A 94 -7.781 -14.765 -3.284 1.00 0.00 C ATOM 1494 C ASP A 94 -8.328 -14.389 -4.654 1.00 0.00 C ATOM 1495 O ASP A 94 -9.541 -14.258 -4.837 1.00 0.00 O ATOM 1496 CB ASP A 94 -7.928 -13.590 -2.321 1.00 0.00 C ATOM 1497 CG ASP A 94 -7.121 -12.394 -2.770 1.00 0.00 C ATOM 1498 OD1 ASP A 94 -7.713 -11.454 -3.325 1.00 0.00 O ATOM 1499 OD2 ASP A 94 -5.887 -12.410 -2.580 1.00 0.00 O ATOM 0 H ASP A 94 -5.716 -14.408 -3.231 1.00 0.00 H new ATOM 0 HA ASP A 94 -8.353 -15.609 -2.897 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -8.979 -13.312 -2.245 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -7.605 -13.893 -1.325 1.00 0.00 H new ATOM 1504 N ASN A 95 -7.410 -14.217 -5.606 1.00 0.00 N ATOM 1505 CA ASN A 95 -7.743 -13.967 -7.007 1.00 0.00 C ATOM 1506 C ASN A 95 -8.456 -12.633 -7.202 1.00 0.00 C ATOM 1507 O ASN A 95 -9.194 -12.450 -8.171 1.00 0.00 O ATOM 1508 CB ASN A 95 -8.588 -15.106 -7.578 1.00 0.00 C ATOM 1509 CG ASN A 95 -7.821 -16.407 -7.682 1.00 0.00 C ATOM 1510 OD1 ASN A 95 -7.196 -16.699 -8.703 1.00 0.00 O ATOM 1511 ND2 ASN A 95 -7.865 -17.202 -6.627 1.00 0.00 N ATOM 0 H ASN A 95 -6.407 -14.248 -5.424 1.00 0.00 H new ATOM 0 HA ASN A 95 -6.800 -13.918 -7.551 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -9.464 -15.255 -6.947 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -8.952 -14.823 -8.566 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -7.370 -18.094 -6.639 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -8.394 -16.924 -5.800 1.00 0.00 H new ATOM 1518 N ASN A 96 -8.224 -11.703 -6.290 1.00 0.00 N ATOM 1519 CA ASN A 96 -8.817 -10.377 -6.386 1.00 0.00 C ATOM 1520 C ASN A 96 -7.755 -9.315 -6.138 1.00 0.00 C ATOM 1521 O ASN A 96 -7.242 -9.182 -5.031 1.00 0.00 O ATOM 1522 CB ASN A 96 -9.975 -10.244 -5.387 1.00 0.00 C ATOM 1523 CG ASN A 96 -10.464 -8.814 -5.213 1.00 0.00 C ATOM 1524 OD1 ASN A 96 -10.385 -7.989 -6.126 1.00 0.00 O ATOM 1525 ND2 ASN A 96 -10.977 -8.510 -4.031 1.00 0.00 N ATOM 0 H ASN A 96 -7.629 -11.841 -5.473 1.00 0.00 H new ATOM 0 HA ASN A 96 -9.217 -10.233 -7.390 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -10.806 -10.866 -5.721 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -9.656 -10.631 -4.419 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -11.323 -7.567 -3.852 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -11.026 -9.219 -3.299 1.00 0.00 H new ATOM 1532 N ALA A 97 -7.437 -8.563 -7.187 1.00 0.00 N ATOM 1533 CA ALA A 97 -6.369 -7.566 -7.141 1.00 0.00 C ATOM 1534 C ALA A 97 -6.573 -6.550 -6.020 1.00 0.00 C ATOM 1535 O ALA A 97 -5.605 -6.020 -5.473 1.00 0.00 O ATOM 1536 CB ALA A 97 -6.262 -6.856 -8.480 1.00 0.00 C ATOM 0 H ALA A 97 -7.909 -8.626 -8.089 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.439 -8.094 -6.932 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.464 -6.115 -8.436 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.040 -7.583 -9.261 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -7.206 -6.359 -8.705 1.00 0.00 H new ATOM 1542 N CYS A 98 -7.828 -6.281 -5.674 1.00 0.00 N ATOM 1543 CA CYS A 98 -8.129 -5.345 -4.595 1.00 0.00 C ATOM 1544 C CYS A 98 -7.662 -5.896 -3.253 1.00 0.00 C ATOM 1545 O CYS A 98 -7.132 -5.162 -2.422 1.00 0.00 O ATOM 1546 CB CYS A 98 -9.627 -5.040 -4.524 1.00 0.00 C ATOM 1547 SG CYS A 98 -10.322 -4.323 -6.047 1.00 0.00 S ATOM 0 H CYS A 98 -8.647 -6.694 -6.120 1.00 0.00 H new ATOM 0 HA CYS A 98 -7.593 -4.421 -4.811 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -10.162 -5.961 -4.293 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -9.806 -4.352 -3.698 1.00 0.00 H new ATOM 1552 N HIS A 99 -7.832 -7.195 -3.052 1.00 0.00 N ATOM 1553 CA HIS A 99 -7.499 -7.808 -1.775 1.00 0.00 C ATOM 1554 C HIS A 99 -6.013 -8.144 -1.737 1.00 0.00 C ATOM 1555 O HIS A 99 -5.399 -8.157 -0.675 1.00 0.00 O ATOM 1556 CB HIS A 99 -8.351 -9.061 -1.555 1.00 0.00 C ATOM 1557 CG HIS A 99 -8.414 -9.537 -0.130 1.00 0.00 C ATOM 1558 ND1 HIS A 99 -9.346 -10.452 0.305 1.00 0.00 N ATOM 1559 CD2 HIS A 99 -7.667 -9.223 0.958 1.00 0.00 C ATOM 1560 CE1 HIS A 99 -9.171 -10.679 1.592 1.00 0.00 C ATOM 1561 NE2 HIS A 99 -8.158 -9.947 2.015 1.00 0.00 N ATOM 0 H HIS A 99 -8.196 -7.841 -3.752 1.00 0.00 H new ATOM 0 HA HIS A 99 -7.715 -7.106 -0.969 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -9.365 -8.860 -1.901 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -7.956 -9.866 -2.175 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -6.839 -8.531 0.987 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -9.759 -11.352 2.199 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -7.799 -9.923 2.970 1.00 0.00 H new ATOM 1570 N TRP A 100 -5.442 -8.398 -2.905 1.00 0.00 N ATOM 1571 CA TRP A 100 -4.015 -8.684 -3.021 1.00 0.00 C ATOM 1572 C TRP A 100 -3.199 -7.466 -2.592 1.00 0.00 C ATOM 1573 O TRP A 100 -2.324 -7.559 -1.727 1.00 0.00 O ATOM 1574 CB TRP A 100 -3.669 -9.079 -4.465 1.00 0.00 C ATOM 1575 CG TRP A 100 -2.270 -9.596 -4.639 1.00 0.00 C ATOM 1576 CD1 TRP A 100 -1.374 -9.900 -3.655 1.00 0.00 C ATOM 1577 CD2 TRP A 100 -1.616 -9.895 -5.880 1.00 0.00 C ATOM 1578 NE1 TRP A 100 -0.205 -10.357 -4.206 1.00 0.00 N ATOM 1579 CE2 TRP A 100 -0.328 -10.369 -5.569 1.00 0.00 C ATOM 1580 CE3 TRP A 100 -1.994 -9.809 -7.222 1.00 0.00 C ATOM 1581 CZ2 TRP A 100 0.582 -10.755 -6.550 1.00 0.00 C ATOM 1582 CZ3 TRP A 100 -1.091 -10.193 -8.195 1.00 0.00 C ATOM 1583 CH2 TRP A 100 0.183 -10.662 -7.857 1.00 0.00 C ATOM 0 H TRP A 100 -5.946 -8.412 -3.792 1.00 0.00 H new ATOM 0 HA TRP A 100 -3.768 -9.518 -2.364 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -4.372 -9.842 -4.800 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -3.808 -8.212 -5.111 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -1.559 -9.796 -2.596 1.00 0.00 H new ATOM 0 HE1 TRP A 100 0.624 -10.642 -3.684 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -2.975 -9.449 -7.494 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 1.567 -11.115 -6.290 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 -1.374 -10.130 -9.235 1.00 0.00 H new ATOM 0 HH2 TRP A 100 0.865 -10.956 -8.641 1.00 0.00 H new ATOM 1594 N ALA A 101 -3.509 -6.320 -3.191 1.00 0.00 N ATOM 1595 CA ALA A 101 -2.843 -5.069 -2.850 1.00 0.00 C ATOM 1596 C ALA A 101 -3.111 -4.702 -1.401 1.00 0.00 C ATOM 1597 O ALA A 101 -2.234 -4.202 -0.696 1.00 0.00 O ATOM 1598 CB ALA A 101 -3.318 -3.958 -3.769 1.00 0.00 C ATOM 0 H ALA A 101 -4.220 -6.233 -3.917 1.00 0.00 H new ATOM 0 HA ALA A 101 -1.769 -5.200 -2.980 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.814 -3.028 -3.506 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.086 -4.216 -4.802 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -4.395 -3.831 -3.660 1.00 0.00 H new ATOM 1604 N PHE A 102 -4.332 -4.971 -0.965 1.00 0.00 N ATOM 1605 CA PHE A 102 -4.749 -4.666 0.390 1.00 0.00 C ATOM 1606 C PHE A 102 -4.013 -5.545 1.399 1.00 0.00 C ATOM 1607 O PHE A 102 -3.698 -5.104 2.501 1.00 0.00 O ATOM 1608 CB PHE A 102 -6.260 -4.840 0.519 1.00 0.00 C ATOM 1609 CG PHE A 102 -6.809 -4.483 1.873 1.00 0.00 C ATOM 1610 CD1 PHE A 102 -6.855 -3.161 2.288 1.00 0.00 C ATOM 1611 CD2 PHE A 102 -7.282 -5.466 2.730 1.00 0.00 C ATOM 1612 CE1 PHE A 102 -7.362 -2.826 3.529 1.00 0.00 C ATOM 1613 CE2 PHE A 102 -7.791 -5.136 3.972 1.00 0.00 C ATOM 1614 CZ PHE A 102 -7.830 -3.814 4.372 1.00 0.00 C ATOM 0 H PHE A 102 -5.056 -5.404 -1.538 1.00 0.00 H new ATOM 0 HA PHE A 102 -4.495 -3.629 0.608 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -6.751 -4.223 -0.234 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -6.515 -5.876 0.298 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -6.490 -2.383 1.633 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -7.252 -6.501 2.423 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -7.392 -1.792 3.839 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -8.158 -5.911 4.629 1.00 0.00 H new ATOM 0 HZ PHE A 102 -8.226 -3.554 5.343 1.00 0.00 H new ATOM 1624 N ARG A 103 -3.721 -6.781 1.007 1.00 0.00 N ATOM 1625 CA ARG A 103 -3.044 -7.724 1.886 1.00 0.00 C ATOM 1626 C ARG A 103 -1.576 -7.351 2.028 1.00 0.00 C ATOM 1627 O ARG A 103 -1.014 -7.428 3.119 1.00 0.00 O ATOM 1628 CB ARG A 103 -3.181 -9.151 1.357 1.00 0.00 C ATOM 1629 CG ARG A 103 -2.603 -10.189 2.300 1.00 0.00 C ATOM 1630 CD ARG A 103 -2.914 -11.604 1.844 1.00 0.00 C ATOM 1631 NE ARG A 103 -2.480 -11.861 0.471 1.00 0.00 N ATOM 1632 CZ ARG A 103 -3.314 -12.015 -0.559 1.00 0.00 C ATOM 1633 NH1 ARG A 103 -4.622 -11.879 -0.389 1.00 0.00 N ATOM 1634 NH2 ARG A 103 -2.844 -12.304 -1.762 1.00 0.00 N ATOM 0 H ARG A 103 -3.944 -7.152 0.084 1.00 0.00 H new ATOM 0 HA ARG A 103 -3.515 -7.677 2.868 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -4.235 -9.370 1.186 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -2.679 -9.225 0.392 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -1.523 -10.058 2.366 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -3.005 -10.034 3.301 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -2.427 -12.313 2.514 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -3.987 -11.779 1.921 1.00 0.00 H new ATOM 0 HE ARG A 103 -1.478 -11.927 0.290 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -4.996 -11.655 0.533 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -5.254 -11.998 -1.181 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -1.840 -12.410 -1.905 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -3.486 -12.421 -2.546 1.00 0.00 H new ATOM 1648 N GLY A 104 -0.967 -6.931 0.925 1.00 0.00 N ATOM 1649 CA GLY A 104 0.416 -6.490 0.965 1.00 0.00 C ATOM 1650 C GLY A 104 0.582 -5.263 1.841 1.00 0.00 C ATOM 1651 O GLY A 104 1.486 -5.194 2.678 1.00 0.00 O ATOM 0 H GLY A 104 -1.405 -6.888 0.005 1.00 0.00 H new ATOM 0 HA2 GLY A 104 1.045 -7.296 1.342 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.757 -6.266 -0.046 1.00 0.00 H new ATOM 1655 N PHE A 105 -0.321 -4.308 1.659 1.00 0.00 N ATOM 1656 CA PHE A 105 -0.301 -3.064 2.410 1.00 0.00 C ATOM 1657 C PHE A 105 -0.572 -3.314 3.892 1.00 0.00 C ATOM 1658 O PHE A 105 0.146 -2.814 4.756 1.00 0.00 O ATOM 1659 CB PHE A 105 -1.337 -2.100 1.820 1.00 0.00 C ATOM 1660 CG PHE A 105 -1.623 -0.894 2.670 1.00 0.00 C ATOM 1661 CD1 PHE A 105 -2.926 -0.546 2.993 1.00 0.00 C ATOM 1662 CD2 PHE A 105 -0.587 -0.107 3.147 1.00 0.00 C ATOM 1663 CE1 PHE A 105 -3.188 0.562 3.773 1.00 0.00 C ATOM 1664 CE2 PHE A 105 -0.845 1.002 3.927 1.00 0.00 C ATOM 1665 CZ PHE A 105 -2.147 1.337 4.240 1.00 0.00 C ATOM 0 H PHE A 105 -1.086 -4.376 0.987 1.00 0.00 H new ATOM 0 HA PHE A 105 0.690 -2.617 2.331 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -0.988 -1.765 0.843 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.268 -2.643 1.657 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -3.745 -1.149 2.630 1.00 0.00 H new ATOM 0 HD2 PHE A 105 0.434 -0.364 2.906 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -4.207 0.822 4.018 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -0.029 1.607 4.292 1.00 0.00 H new ATOM 0 HZ PHE A 105 -2.350 2.205 4.850 1.00 0.00 H new ATOM 1675 N LYS A 106 -1.591 -4.116 4.172 1.00 0.00 N ATOM 1676 CA LYS A 106 -2.024 -4.360 5.543 1.00 0.00 C ATOM 1677 C LYS A 106 -0.983 -5.177 6.313 1.00 0.00 C ATOM 1678 O LYS A 106 -0.775 -4.969 7.509 1.00 0.00 O ATOM 1679 CB LYS A 106 -3.404 -5.035 5.552 1.00 0.00 C ATOM 1680 CG LYS A 106 -3.750 -5.744 6.846 1.00 0.00 C ATOM 1681 CD LYS A 106 -5.183 -6.251 6.833 1.00 0.00 C ATOM 1682 CE LYS A 106 -5.515 -7.028 8.099 1.00 0.00 C ATOM 1683 NZ LYS A 106 -4.763 -8.308 8.182 1.00 0.00 N ATOM 0 H LYS A 106 -2.135 -4.611 3.465 1.00 0.00 H new ATOM 0 HA LYS A 106 -2.117 -3.403 6.056 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -4.165 -4.280 5.352 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -3.447 -5.756 4.735 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -3.068 -6.580 6.998 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -3.611 -5.062 7.685 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -5.867 -5.408 6.733 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -5.335 -6.890 5.963 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -5.285 -6.415 8.971 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -6.585 -7.234 8.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -5.150 -8.889 8.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -4.853 -8.822 7.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -3.759 -8.109 8.368 1.00 0.00 H new ATOM 1697 N CYS A 107 -0.322 -6.091 5.613 1.00 0.00 N ATOM 1698 CA CYS A 107 0.750 -6.892 6.196 1.00 0.00 C ATOM 1699 C CYS A 107 1.906 -6.001 6.639 1.00 0.00 C ATOM 1700 O CYS A 107 2.459 -6.166 7.730 1.00 0.00 O ATOM 1701 CB CYS A 107 1.237 -7.930 5.172 1.00 0.00 C ATOM 1702 SG CYS A 107 2.798 -8.775 5.609 1.00 0.00 S ATOM 0 H CYS A 107 -0.511 -6.298 4.632 1.00 0.00 H new ATOM 0 HA CYS A 107 0.365 -7.410 7.074 1.00 0.00 H new ATOM 0 HB2 CYS A 107 0.459 -8.682 5.042 1.00 0.00 H new ATOM 0 HB3 CYS A 107 1.367 -7.435 4.209 1.00 0.00 H new ATOM 1707 N PHE A 108 2.247 -5.039 5.794 1.00 0.00 N ATOM 1708 CA PHE A 108 3.403 -4.195 6.024 1.00 0.00 C ATOM 1709 C PHE A 108 3.133 -3.201 7.150 1.00 0.00 C ATOM 1710 O PHE A 108 3.907 -3.108 8.098 1.00 0.00 O ATOM 1711 CB PHE A 108 3.771 -3.470 4.733 1.00 0.00 C ATOM 1712 CG PHE A 108 5.172 -2.933 4.717 1.00 0.00 C ATOM 1713 CD1 PHE A 108 6.221 -3.742 4.313 1.00 0.00 C ATOM 1714 CD2 PHE A 108 5.445 -1.629 5.095 1.00 0.00 C ATOM 1715 CE1 PHE A 108 7.512 -3.261 4.286 1.00 0.00 C ATOM 1716 CE2 PHE A 108 6.738 -1.143 5.070 1.00 0.00 C ATOM 1717 CZ PHE A 108 7.772 -1.962 4.664 1.00 0.00 C ATOM 0 H PHE A 108 1.734 -4.825 4.939 1.00 0.00 H new ATOM 0 HA PHE A 108 4.243 -4.819 6.330 1.00 0.00 H new ATOM 0 HB2 PHE A 108 3.645 -4.155 3.894 1.00 0.00 H new ATOM 0 HB3 PHE A 108 3.074 -2.646 4.579 1.00 0.00 H new ATOM 0 HD1 PHE A 108 6.025 -4.762 4.016 1.00 0.00 H new ATOM 0 HD2 PHE A 108 4.638 -0.985 5.413 1.00 0.00 H new ATOM 0 HE1 PHE A 108 8.320 -3.903 3.968 1.00 0.00 H new ATOM 0 HE2 PHE A 108 6.939 -0.124 5.367 1.00 0.00 H new ATOM 0 HZ PHE A 108 8.784 -1.585 4.643 1.00 0.00 H new ATOM 1727 N GLN A 109 2.013 -2.488 7.057 1.00 0.00 N ATOM 1728 CA GLN A 109 1.643 -1.485 8.059 1.00 0.00 C ATOM 1729 C GLN A 109 1.412 -2.111 9.432 1.00 0.00 C ATOM 1730 O GLN A 109 1.445 -1.420 10.450 1.00 0.00 O ATOM 1731 CB GLN A 109 0.392 -0.715 7.610 1.00 0.00 C ATOM 1732 CG GLN A 109 -0.862 -1.569 7.457 1.00 0.00 C ATOM 1733 CD GLN A 109 -1.774 -1.540 8.671 1.00 0.00 C ATOM 1734 OE1 GLN A 109 -1.640 -2.347 9.590 1.00 0.00 O ATOM 1735 NE2 GLN A 109 -2.724 -0.622 8.676 1.00 0.00 N ATOM 0 H GLN A 109 1.342 -2.585 6.295 1.00 0.00 H new ATOM 0 HA GLN A 109 2.478 -0.790 8.149 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.190 0.076 8.332 1.00 0.00 H new ATOM 0 HB3 GLN A 109 0.603 -0.230 6.657 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -1.420 -1.226 6.586 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -0.567 -2.600 7.260 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -2.806 0.031 7.897 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -3.376 -0.567 9.459 1.00 0.00 H new ATOM 1744 N LYS A 110 1.175 -3.417 9.456 1.00 0.00 N ATOM 1745 CA LYS A 110 0.926 -4.126 10.698 1.00 0.00 C ATOM 1746 C LYS A 110 2.189 -4.172 11.549 1.00 0.00 C ATOM 1747 O LYS A 110 2.124 -4.196 12.780 1.00 0.00 O ATOM 1748 CB LYS A 110 0.450 -5.545 10.400 1.00 0.00 C ATOM 1749 CG LYS A 110 -0.009 -6.302 11.627 1.00 0.00 C ATOM 1750 CD LYS A 110 -0.235 -7.773 11.322 1.00 0.00 C ATOM 1751 CE LYS A 110 -0.844 -8.507 12.506 1.00 0.00 C ATOM 1752 NZ LYS A 110 -2.183 -7.975 12.869 1.00 0.00 N ATOM 0 H LYS A 110 1.151 -4.006 8.624 1.00 0.00 H new ATOM 0 HA LYS A 110 0.151 -3.595 11.252 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -0.370 -5.501 9.683 1.00 0.00 H new ATOM 0 HB3 LYS A 110 1.260 -6.098 9.924 1.00 0.00 H new ATOM 0 HG2 LYS A 110 0.736 -6.203 12.416 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -0.932 -5.861 12.003 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -0.892 -7.868 10.458 1.00 0.00 H new ATOM 0 HD3 LYS A 110 0.713 -8.239 11.054 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -0.929 -9.568 12.269 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -0.177 -8.424 13.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -2.679 -8.664 13.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -2.072 -7.080 13.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -2.736 -7.808 12.004 1.00 0.00 H new ATOM 1766 N ASN A 111 3.337 -4.172 10.889 1.00 0.00 N ATOM 1767 CA ASN A 111 4.608 -4.280 11.588 1.00 0.00 C ATOM 1768 C ASN A 111 5.448 -3.027 11.395 1.00 0.00 C ATOM 1769 O ASN A 111 6.228 -2.652 12.271 1.00 0.00 O ATOM 1770 CB ASN A 111 5.393 -5.500 11.098 1.00 0.00 C ATOM 1771 CG ASN A 111 4.633 -6.804 11.263 1.00 0.00 C ATOM 1772 OD1 ASN A 111 4.689 -7.439 12.316 1.00 0.00 O ATOM 1773 ND2 ASN A 111 3.926 -7.221 10.222 1.00 0.00 N ATOM 0 H ASN A 111 3.415 -4.099 9.875 1.00 0.00 H new ATOM 0 HA ASN A 111 4.389 -4.396 12.649 1.00 0.00 H new ATOM 0 HB2 ASN A 111 5.645 -5.364 10.046 1.00 0.00 H new ATOM 0 HB3 ASN A 111 6.334 -5.563 11.645 1.00 0.00 H new ATOM 0 HD21 ASN A 111 3.404 -8.096 10.277 1.00 0.00 H new ATOM 0 HD22 ASN A 111 3.904 -6.667 9.366 1.00 0.00 H new ATOM 1780 N ASN A 112 5.275 -2.369 10.255 1.00 0.00 N ATOM 1781 CA ASN A 112 6.131 -1.252 9.876 1.00 0.00 C ATOM 1782 C ASN A 112 5.314 -0.088 9.324 1.00 0.00 C ATOM 1783 O ASN A 112 5.382 0.223 8.135 1.00 0.00 O ATOM 1784 CB ASN A 112 7.153 -1.713 8.833 1.00 0.00 C ATOM 1785 CG ASN A 112 8.179 -2.670 9.406 1.00 0.00 C ATOM 1786 OD1 ASN A 112 8.662 -2.484 10.522 1.00 0.00 O ATOM 1787 ND2 ASN A 112 8.491 -3.720 8.665 1.00 0.00 N ATOM 0 H ASN A 112 4.547 -2.591 9.575 1.00 0.00 H new ATOM 0 HA ASN A 112 6.651 -0.905 10.769 1.00 0.00 H new ATOM 0 HB2 ASN A 112 6.631 -2.197 8.008 1.00 0.00 H new ATOM 0 HB3 ASN A 112 7.664 -0.843 8.421 1.00 0.00 H new ATOM 0 HD21 ASN A 112 9.154 -4.412 9.014 1.00 0.00 H new ATOM 0 HD22 ASN A 112 8.068 -3.838 7.744 1.00 0.00 H new ATOM 1794 N LEU A 113 4.544 0.555 10.191 1.00 0.00 N ATOM 1795 CA LEU A 113 3.722 1.687 9.783 1.00 0.00 C ATOM 1796 C LEU A 113 4.525 2.983 9.814 1.00 0.00 C ATOM 1797 O LEU A 113 4.298 3.886 9.006 1.00 0.00 O ATOM 1798 CB LEU A 113 2.487 1.813 10.680 1.00 0.00 C ATOM 1799 CG LEU A 113 1.619 3.043 10.424 1.00 0.00 C ATOM 1800 CD1 LEU A 113 1.012 2.976 9.032 1.00 0.00 C ATOM 1801 CD2 LEU A 113 0.534 3.151 11.481 1.00 0.00 C ATOM 0 H LEU A 113 4.471 0.313 11.179 1.00 0.00 H new ATOM 0 HA LEU A 113 3.394 1.508 8.759 1.00 0.00 H new ATOM 0 HB2 LEU A 113 1.873 0.922 10.552 1.00 0.00 H new ATOM 0 HB3 LEU A 113 2.813 1.829 11.720 1.00 0.00 H new ATOM 0 HG LEU A 113 2.244 3.934 10.484 1.00 0.00 H new ATOM 0 HD11 LEU A 113 0.395 3.858 8.861 1.00 0.00 H new ATOM 0 HD12 LEU A 113 1.809 2.941 8.289 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.396 2.081 8.946 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.077 4.032 11.286 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -0.093 2.260 11.451 1.00 0.00 H new ATOM 0 HD23 LEU A 113 0.993 3.238 12.466 1.00 0.00 H new ATOM 1813 N SER A 114 5.473 3.064 10.739 1.00 0.00 N ATOM 1814 CA SER A 114 6.293 4.261 10.893 1.00 0.00 C ATOM 1815 C SER A 114 7.109 4.520 9.631 1.00 0.00 C ATOM 1816 O SER A 114 7.315 5.669 9.236 1.00 0.00 O ATOM 1817 CB SER A 114 7.215 4.106 12.101 1.00 0.00 C ATOM 1818 OG SER A 114 6.487 3.657 13.232 1.00 0.00 O ATOM 0 H SER A 114 5.694 2.315 11.395 1.00 0.00 H new ATOM 0 HA SER A 114 5.637 5.116 11.055 1.00 0.00 H new ATOM 0 HB2 SER A 114 8.010 3.398 11.869 1.00 0.00 H new ATOM 0 HB3 SER A 114 7.693 5.060 12.325 1.00 0.00 H new ATOM 0 HG SER A 114 7.094 3.562 13.995 1.00 0.00 H new ATOM 1824 N LEU A 115 7.552 3.445 8.989 1.00 0.00 N ATOM 1825 CA LEU A 115 8.297 3.552 7.747 1.00 0.00 C ATOM 1826 C LEU A 115 7.408 4.112 6.645 1.00 0.00 C ATOM 1827 O LEU A 115 7.858 4.888 5.807 1.00 0.00 O ATOM 1828 CB LEU A 115 8.844 2.186 7.338 1.00 0.00 C ATOM 1829 CG LEU A 115 9.692 2.174 6.067 1.00 0.00 C ATOM 1830 CD1 LEU A 115 10.887 3.090 6.225 1.00 0.00 C ATOM 1831 CD2 LEU A 115 10.151 0.762 5.750 1.00 0.00 C ATOM 0 H LEU A 115 7.406 2.488 9.312 1.00 0.00 H new ATOM 0 HA LEU A 115 9.134 4.232 7.902 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.444 1.793 8.159 1.00 0.00 H new ATOM 0 HB3 LEU A 115 8.005 1.504 7.201 1.00 0.00 H new ATOM 0 HG LEU A 115 9.081 2.535 5.239 1.00 0.00 H new ATOM 0 HD11 LEU A 115 11.483 3.072 5.312 1.00 0.00 H new ATOM 0 HD12 LEU A 115 10.543 4.107 6.414 1.00 0.00 H new ATOM 0 HD13 LEU A 115 11.497 2.751 7.063 1.00 0.00 H new ATOM 0 HD21 LEU A 115 10.754 0.771 4.842 1.00 0.00 H new ATOM 0 HD22 LEU A 115 10.748 0.379 6.578 1.00 0.00 H new ATOM 0 HD23 LEU A 115 9.282 0.121 5.602 1.00 0.00 H new ATOM 1843 N ILE A 116 6.138 3.730 6.671 1.00 0.00 N ATOM 1844 CA ILE A 116 5.177 4.192 5.681 1.00 0.00 C ATOM 1845 C ILE A 116 4.953 5.694 5.828 1.00 0.00 C ATOM 1846 O ILE A 116 4.863 6.427 4.842 1.00 0.00 O ATOM 1847 CB ILE A 116 3.830 3.447 5.819 1.00 0.00 C ATOM 1848 CG1 ILE A 116 4.037 1.938 5.653 1.00 0.00 C ATOM 1849 CG2 ILE A 116 2.821 3.961 4.802 1.00 0.00 C ATOM 1850 CD1 ILE A 116 2.755 1.142 5.743 1.00 0.00 C ATOM 0 H ILE A 116 5.749 3.098 7.371 1.00 0.00 H new ATOM 0 HA ILE A 116 5.585 3.981 4.693 1.00 0.00 H new ATOM 0 HB ILE A 116 3.434 3.637 6.817 1.00 0.00 H new ATOM 0 HG12 ILE A 116 4.507 1.747 4.688 1.00 0.00 H new ATOM 0 HG13 ILE A 116 4.728 1.587 6.419 1.00 0.00 H new ATOM 0 HG21 ILE A 116 1.881 3.422 4.918 1.00 0.00 H new ATOM 0 HG22 ILE A 116 2.651 5.026 4.964 1.00 0.00 H new ATOM 0 HG23 ILE A 116 3.207 3.804 3.795 1.00 0.00 H new ATOM 0 HD11 ILE A 116 2.975 0.082 5.617 1.00 0.00 H new ATOM 0 HD12 ILE A 116 2.294 1.303 6.718 1.00 0.00 H new ATOM 0 HD13 ILE A 116 2.070 1.466 4.960 1.00 0.00 H new ATOM 1862 N LYS A 117 4.888 6.144 7.075 1.00 0.00 N ATOM 1863 CA LYS A 117 4.726 7.557 7.377 1.00 0.00 C ATOM 1864 C LYS A 117 5.934 8.354 6.898 1.00 0.00 C ATOM 1865 O LYS A 117 5.785 9.390 6.251 1.00 0.00 O ATOM 1866 CB LYS A 117 4.533 7.759 8.878 1.00 0.00 C ATOM 1867 CG LYS A 117 3.182 7.278 9.387 1.00 0.00 C ATOM 1868 CD LYS A 117 3.062 7.443 10.895 1.00 0.00 C ATOM 1869 CE LYS A 117 1.651 7.155 11.385 1.00 0.00 C ATOM 1870 NZ LYS A 117 0.699 8.222 10.982 1.00 0.00 N ATOM 0 H LYS A 117 4.946 5.544 7.898 1.00 0.00 H new ATOM 0 HA LYS A 117 3.841 7.917 6.852 1.00 0.00 H new ATOM 0 HB2 LYS A 117 5.323 7.230 9.412 1.00 0.00 H new ATOM 0 HB3 LYS A 117 4.644 8.818 9.111 1.00 0.00 H new ATOM 0 HG2 LYS A 117 2.387 7.837 8.895 1.00 0.00 H new ATOM 0 HG3 LYS A 117 3.045 6.229 9.123 1.00 0.00 H new ATOM 0 HD2 LYS A 117 3.763 6.772 11.391 1.00 0.00 H new ATOM 0 HD3 LYS A 117 3.343 8.459 11.173 1.00 0.00 H new ATOM 0 HE2 LYS A 117 1.315 6.198 10.985 1.00 0.00 H new ATOM 0 HE3 LYS A 117 1.655 7.063 12.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 0.020 8.390 11.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 1.223 9.099 10.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 0.187 7.925 10.127 1.00 0.00 H new ATOM 1884 N ALA A 118 7.125 7.855 7.215 1.00 0.00 N ATOM 1885 CA ALA A 118 8.371 8.509 6.831 1.00 0.00 C ATOM 1886 C ALA A 118 8.579 8.474 5.320 1.00 0.00 C ATOM 1887 O ALA A 118 9.234 9.352 4.750 1.00 0.00 O ATOM 1888 CB ALA A 118 9.531 7.832 7.530 1.00 0.00 C ATOM 0 H ALA A 118 7.253 6.991 7.742 1.00 0.00 H new ATOM 0 HA ALA A 118 8.316 9.555 7.133 1.00 0.00 H new ATOM 0 HB1 ALA A 118 10.463 8.320 7.244 1.00 0.00 H new ATOM 0 HB2 ALA A 118 9.399 7.906 8.609 1.00 0.00 H new ATOM 0 HB3 ALA A 118 9.567 6.782 7.241 1.00 0.00 H new ATOM 1894 N SER A 119 8.030 7.446 4.691 1.00 0.00 N ATOM 1895 CA SER A 119 8.124 7.262 3.250 1.00 0.00 C ATOM 1896 C SER A 119 7.505 8.441 2.496 1.00 0.00 C ATOM 1897 O SER A 119 8.085 8.948 1.533 1.00 0.00 O ATOM 1898 CB SER A 119 7.431 5.955 2.858 1.00 0.00 C ATOM 1899 OG SER A 119 7.677 5.620 1.509 1.00 0.00 O ATOM 0 H SER A 119 7.505 6.713 5.167 1.00 0.00 H new ATOM 0 HA SER A 119 9.177 7.213 2.975 1.00 0.00 H new ATOM 0 HB2 SER A 119 7.781 5.149 3.503 1.00 0.00 H new ATOM 0 HB3 SER A 119 6.357 6.049 3.020 1.00 0.00 H new ATOM 0 HG SER A 119 6.896 5.856 0.966 1.00 0.00 H new ATOM 1905 N ILE A 120 6.331 8.881 2.942 1.00 0.00 N ATOM 1906 CA ILE A 120 5.634 9.983 2.288 1.00 0.00 C ATOM 1907 C ILE A 120 5.940 11.313 2.971 1.00 0.00 C ATOM 1908 O ILE A 120 5.461 12.367 2.549 1.00 0.00 O ATOM 1909 CB ILE A 120 4.105 9.769 2.279 1.00 0.00 C ATOM 1910 CG1 ILE A 120 3.567 9.651 3.704 1.00 0.00 C ATOM 1911 CG2 ILE A 120 3.751 8.530 1.475 1.00 0.00 C ATOM 1912 CD1 ILE A 120 2.059 9.723 3.783 1.00 0.00 C ATOM 0 H ILE A 120 5.845 8.493 3.750 1.00 0.00 H new ATOM 0 HA ILE A 120 5.994 10.009 1.260 1.00 0.00 H new ATOM 0 HB ILE A 120 3.640 10.635 1.809 1.00 0.00 H new ATOM 0 HG12 ILE A 120 3.902 8.707 4.134 1.00 0.00 H new ATOM 0 HG13 ILE A 120 3.994 10.448 4.313 1.00 0.00 H new ATOM 0 HG21 ILE A 120 2.670 8.391 1.477 1.00 0.00 H new ATOM 0 HG22 ILE A 120 4.099 8.650 0.449 1.00 0.00 H new ATOM 0 HG23 ILE A 120 4.229 7.658 1.921 1.00 0.00 H new ATOM 0 HD11 ILE A 120 1.744 9.633 4.823 1.00 0.00 H new ATOM 0 HD12 ILE A 120 1.719 10.678 3.383 1.00 0.00 H new ATOM 0 HD13 ILE A 120 1.625 8.910 3.201 1.00 0.00 H new ATOM 1924 N LYS A 121 6.730 11.252 4.030 1.00 0.00 N ATOM 1925 CA LYS A 121 7.083 12.434 4.795 1.00 0.00 C ATOM 1926 C LYS A 121 8.351 13.068 4.245 1.00 0.00 C ATOM 1927 O LYS A 121 9.411 12.439 4.222 1.00 0.00 O ATOM 1928 CB LYS A 121 7.292 12.058 6.257 1.00 0.00 C ATOM 1929 CG LYS A 121 7.550 13.244 7.169 1.00 0.00 C ATOM 1930 CD LYS A 121 7.907 12.781 8.569 1.00 0.00 C ATOM 1931 CE LYS A 121 8.261 13.949 9.473 1.00 0.00 C ATOM 1932 NZ LYS A 121 8.787 13.496 10.787 1.00 0.00 N ATOM 0 H LYS A 121 7.142 10.387 4.381 1.00 0.00 H new ATOM 0 HA LYS A 121 6.269 13.154 4.716 1.00 0.00 H new ATOM 0 HB2 LYS A 121 6.411 11.524 6.613 1.00 0.00 H new ATOM 0 HB3 LYS A 121 8.133 11.369 6.327 1.00 0.00 H new ATOM 0 HG2 LYS A 121 8.360 13.850 6.764 1.00 0.00 H new ATOM 0 HG3 LYS A 121 6.665 13.879 7.206 1.00 0.00 H new ATOM 0 HD2 LYS A 121 7.068 12.232 8.996 1.00 0.00 H new ATOM 0 HD3 LYS A 121 8.749 12.090 8.520 1.00 0.00 H new ATOM 0 HE2 LYS A 121 9.005 14.576 8.981 1.00 0.00 H new ATOM 0 HE3 LYS A 121 7.377 14.567 9.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 9.016 14.324 11.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 8.068 12.919 11.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 9.645 12.928 10.640 1.00 0.00 H new ATOM 1946 N LYS A 122 8.243 14.310 3.810 1.00 0.00 N ATOM 1947 CA LYS A 122 9.394 15.034 3.299 1.00 0.00 C ATOM 1948 C LYS A 122 10.107 15.728 4.445 1.00 0.00 C ATOM 1949 O LYS A 122 9.788 16.865 4.799 1.00 0.00 O ATOM 1950 CB LYS A 122 8.986 16.056 2.236 1.00 0.00 C ATOM 1951 CG LYS A 122 7.598 15.837 1.661 1.00 0.00 C ATOM 1952 CD LYS A 122 7.319 16.763 0.488 1.00 0.00 C ATOM 1953 CE LYS A 122 7.323 18.222 0.903 1.00 0.00 C ATOM 1954 NZ LYS A 122 6.971 19.117 -0.231 1.00 0.00 N ATOM 0 H LYS A 122 7.371 14.839 3.800 1.00 0.00 H new ATOM 0 HA LYS A 122 10.067 14.318 2.828 1.00 0.00 H new ATOM 0 HB2 LYS A 122 9.033 17.054 2.671 1.00 0.00 H new ATOM 0 HB3 LYS A 122 9.712 16.028 1.424 1.00 0.00 H new ATOM 0 HG2 LYS A 122 7.498 14.801 1.338 1.00 0.00 H new ATOM 0 HG3 LYS A 122 6.852 16.001 2.439 1.00 0.00 H new ATOM 0 HD2 LYS A 122 8.070 16.604 -0.286 1.00 0.00 H new ATOM 0 HD3 LYS A 122 6.352 16.513 0.051 1.00 0.00 H new ATOM 0 HE2 LYS A 122 6.614 18.371 1.718 1.00 0.00 H new ATOM 0 HE3 LYS A 122 8.308 18.489 1.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 6.984 20.106 0.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 7.662 18.993 -0.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 6.020 18.879 -0.579 1.00 0.00 H new ATOM 1968 N ASP A 123 11.056 15.022 5.033 1.00 0.00 N ATOM 1969 CA ASP A 123 11.821 15.544 6.156 1.00 0.00 C ATOM 1970 C ASP A 123 12.941 16.450 5.667 1.00 0.00 C ATOM 1971 O ASP A 123 14.001 15.928 5.262 1.00 0.00 O ATOM 1972 CB ASP A 123 12.396 14.405 6.999 1.00 0.00 C ATOM 1973 CG ASP A 123 13.217 14.912 8.168 1.00 0.00 C ATOM 1974 OD1 ASP A 123 14.426 14.601 8.239 1.00 0.00 O ATOM 1975 OD2 ASP A 123 12.658 15.630 9.021 1.00 0.00 O ATOM 1976 OXT ASP A 123 12.753 17.681 5.677 1.00 0.00 O ATOM 0 H ASP A 123 11.318 14.078 4.750 1.00 0.00 H new ATOM 0 HA ASP A 123 11.145 16.129 6.780 1.00 0.00 H new ATOM 0 HB2 ASP A 123 11.581 13.785 7.372 1.00 0.00 H new ATOM 0 HB3 ASP A 123 13.018 13.769 6.370 1.00 0.00 H new TER 1981 ASP A 123 HETATM 1982 C1 ACD A 201 -4.765 6.865 2.435 1.00 0.00 C HETATM 1983 C2 ACD A 201 -4.112 5.568 2.014 1.00 0.00 C HETATM 1984 C3 ACD A 201 -2.896 5.869 1.142 1.00 0.00 C HETATM 1985 C4 ACD A 201 -2.160 4.589 0.738 1.00 0.00 C HETATM 1986 C5 ACD A 201 -1.511 3.968 1.948 1.00 0.00 C HETATM 1987 C6 ACD A 201 -0.256 4.244 2.224 1.00 0.00 C HETATM 1988 C7 ACD A 201 0.483 5.264 1.394 1.00 0.00 C HETATM 1989 C8 ACD A 201 1.751 5.696 2.084 1.00 0.00 C HETATM 1990 C9 ACD A 201 2.914 5.232 1.683 1.00 0.00 C HETATM 1991 C10 ACD A 201 2.989 4.316 0.491 1.00 0.00 C HETATM 1992 C11 ACD A 201 4.388 3.779 0.338 1.00 0.00 C HETATM 1993 C12 ACD A 201 4.581 2.499 0.152 1.00 0.00 C HETATM 1994 C13 ACD A 201 3.410 1.575 -0.019 1.00 0.00 C HETATM 1995 C14 ACD A 201 2.955 1.099 1.335 1.00 0.00 C HETATM 1996 C15 ACD A 201 2.903 -0.182 1.588 1.00 0.00 C HETATM 1997 C16 ACD A 201 3.402 -1.165 0.564 1.00 0.00 C HETATM 1998 C17 ACD A 201 3.524 -2.548 1.189 1.00 0.00 C HETATM 1999 C18 ACD A 201 3.775 -3.607 0.121 1.00 0.00 C HETATM 2000 C19 ACD A 201 3.976 -4.982 0.757 1.00 0.00 C HETATM 2001 C20 ACD A 201 4.094 -6.064 -0.310 1.00 0.00 C HETATM 2002 O1 ACD A 201 -4.999 7.055 3.641 1.00 0.00 O HETATM 2003 O2 ACD A 201 -5.055 7.699 1.559 1.00 0.00 O HETATM 0 H203 ACD A 201 3.183 -6.085 -0.909 1.00 0.00 H new HETATM 0 H202 ACD A 201 4.947 -5.849 -0.954 1.00 0.00 H new HETATM 0 H201 ACD A 201 4.236 -7.033 0.169 1.00 0.00 H new HETATM 0 H192 ACD A 201 4.875 -4.974 1.373 1.00 0.00 H new HETATM 0 H191 ACD A 201 3.139 -5.207 1.418 1.00 0.00 H new HETATM 0 H182 ACD A 201 2.932 -3.640 -0.570 1.00 0.00 H new HETATM 0 H181 ACD A 201 4.655 -3.339 -0.463 1.00 0.00 H new HETATM 0 H172 ACD A 201 4.340 -2.554 1.912 1.00 0.00 H new HETATM 0 H171 ACD A 201 2.612 -2.786 1.736 1.00 0.00 H new HETATM 0 H162 ACD A 201 2.718 -1.199 -0.284 1.00 0.00 H new HETATM 0 H161 ACD A 201 4.370 -0.843 0.180 1.00 0.00 H new HETATM 0 H132 ACD A 201 2.596 2.090 -0.529 1.00 0.00 H new HETATM 0 H131 ACD A 201 3.690 0.725 -0.642 1.00 0.00 H new HETATM 0 H102 ACD A 201 2.286 3.492 0.611 1.00 0.00 H new HETATM 0 H101 ACD A 201 2.697 4.855 -0.410 1.00 0.00 H new HETATM 0 H9 ACD A 201 3.824 5.511 2.214 1.00 0.00 H new HETATM 0 H8 ACD A 201 1.704 6.396 2.919 1.00 0.00 H new HETATM 0 H72 ACD A 201 0.720 4.842 0.417 1.00 0.00 H new HETATM 0 H71 ACD A 201 -0.155 6.130 1.220 1.00 0.00 H new HETATM 0 H6 ACD A 201 0.248 3.739 3.048 1.00 0.00 H new HETATM 0 H5 ACD A 201 -2.079 3.294 2.590 1.00 0.00 H new HETATM 0 H42 ACD A 201 -2.859 3.884 0.287 1.00 0.00 H new HETATM 0 H41 ACD A 201 -1.405 4.815 -0.015 1.00 0.00 H new HETATM 0 H32 ACD A 201 -3.213 6.405 0.247 1.00 0.00 H new HETATM 0 H31 ACD A 201 -2.214 6.526 1.682 1.00 0.00 H new HETATM 0 H22 ACD A 201 -3.810 4.998 2.893 1.00 0.00 H new HETATM 0 H21 ACD A 201 -4.824 4.952 1.464 1.00 0.00 H new HETATM 0 H15 ACD A 201 2.500 -0.537 2.537 1.00 0.00 H new HETATM 0 H14 ACD A 201 2.670 1.820 2.101 1.00 0.00 H new HETATM 0 H12 ACD A 201 5.595 2.102 0.121 1.00 0.00 H new HETATM 0 H11 ACD A 201 5.240 4.458 0.382 1.00 0.00 H new