USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 540 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 30 TYR OH : rot 156:sc= 0.482 USER MOD Set 1.2: A 62 HIS : no HD1:sc= -0.277 K(o=0.2,f=-2.7) USER MOD Set 2.1: A 49 HIS : no HD1:sc= -0.413 K(o=-1.6,f=-0.84) USER MOD Set 2.2: A 63 GLN : amide:sc= -1.24 K(o=-1.6,f=-3.4!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0831 X(o=-0.083,f=0) USER MOD Single : A 20 MET CE :methyl -121:sc=-0.00155 (180deg=-0.497) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 CYS SG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0.507 K(o=0.51,f=-0.17) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 157:sc= -0.0271 (180deg=-0.192) USER MOD Single : A 33 ASN : amide:sc= -0.374 K(o=-0.37,f=-1.1) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0.117 USER MOD Single : A 43 GLN : amide:sc= -0.145 X(o=-0.15,f=-0.016) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.192 USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-2) USER MOD Single : A 58 SER OG : rot 180:sc= 0.0143 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -7.072 -0.168 -10.324 1.00 0.00 N ATOM 60 CA GLY A 7 -6.566 -0.901 -11.470 1.00 0.00 C ATOM 61 C GLY A 7 -7.177 -0.431 -12.775 1.00 0.00 C ATOM 62 O GLY A 7 -6.472 -0.245 -13.767 1.00 0.00 O ATOM 0 HA2 GLY A 7 -5.483 -0.790 -11.519 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.772 -1.963 -11.338 1.00 0.00 H new ATOM 66 N VAL A 8 -8.492 -0.241 -12.776 1.00 0.00 N ATOM 67 CA VAL A 8 -9.199 0.210 -13.969 1.00 0.00 C ATOM 68 C VAL A 8 -8.619 1.521 -14.489 1.00 0.00 C ATOM 69 O VAL A 8 -8.730 1.833 -15.675 1.00 0.00 O ATOM 70 CB VAL A 8 -10.702 0.399 -13.694 1.00 0.00 C ATOM 71 CG1 VAL A 8 -11.447 0.706 -14.984 1.00 0.00 C ATOM 72 CG2 VAL A 8 -11.279 -0.834 -13.016 1.00 0.00 C ATOM 0 H VAL A 8 -9.090 -0.392 -11.964 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.071 -0.565 -14.724 1.00 0.00 H new ATOM 0 HB VAL A 8 -10.826 1.247 -13.021 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -12.508 0.836 -14.769 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.051 1.621 -15.424 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -11.317 -0.119 -15.684 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -12.342 -0.683 -12.829 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -11.144 -1.701 -13.662 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -10.765 -1.003 -12.070 1.00 0.00 H new ATOM 82 N SER A 9 -8.001 2.284 -13.594 1.00 0.00 N ATOM 83 CA SER A 9 -7.406 3.564 -13.961 1.00 0.00 C ATOM 84 C SER A 9 -6.138 3.358 -14.784 1.00 0.00 C ATOM 85 O SER A 9 -5.755 4.213 -15.582 1.00 0.00 O ATOM 86 CB SER A 9 -7.088 4.381 -12.707 1.00 0.00 C ATOM 87 OG SER A 9 -6.149 3.708 -11.885 1.00 0.00 O ATOM 0 H SER A 9 -7.899 2.038 -12.609 1.00 0.00 H new ATOM 0 HA SER A 9 -8.127 4.111 -14.569 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.692 5.355 -12.994 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.004 4.562 -12.145 1.00 0.00 H new ATOM 0 HG SER A 9 -5.961 4.251 -11.091 1.00 0.00 H new ATOM 93 N LYS A 10 -5.490 2.215 -14.583 1.00 0.00 N ATOM 94 CA LYS A 10 -4.265 1.893 -15.306 1.00 0.00 C ATOM 95 C LYS A 10 -4.526 0.835 -16.373 1.00 0.00 C ATOM 96 O LYS A 10 -3.613 0.121 -16.788 1.00 0.00 O ATOM 97 CB LYS A 10 -3.191 1.399 -14.334 1.00 0.00 C ATOM 98 CG LYS A 10 -2.966 2.327 -13.153 1.00 0.00 C ATOM 99 CD LYS A 10 -1.534 2.833 -13.106 1.00 0.00 C ATOM 100 CE LYS A 10 -0.610 1.830 -12.433 1.00 0.00 C ATOM 101 NZ LYS A 10 0.448 2.502 -11.629 1.00 0.00 N ATOM 0 H LYS A 10 -5.793 1.496 -13.925 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.912 2.800 -15.797 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.474 0.414 -13.963 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.252 1.278 -14.874 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.650 3.173 -13.219 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -3.198 1.801 -12.227 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.183 3.030 -14.119 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.499 3.780 -12.567 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.194 1.174 -11.788 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -0.145 1.200 -13.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 1.057 1.784 -11.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.022 3.109 -12.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 0.005 3.084 -10.889 1.00 0.00 H new ATOM 115 N TRP A 11 -5.775 0.741 -16.814 1.00 0.00 N ATOM 116 CA TRP A 11 -6.154 -0.229 -17.835 1.00 0.00 C ATOM 117 C TRP A 11 -5.621 0.183 -19.203 1.00 0.00 C ATOM 118 O TRP A 11 -5.824 1.315 -19.643 1.00 0.00 O ATOM 119 CB TRP A 11 -7.676 -0.374 -17.890 1.00 0.00 C ATOM 120 CG TRP A 11 -8.184 -1.577 -17.153 1.00 0.00 C ATOM 121 CD1 TRP A 11 -7.596 -2.194 -16.086 1.00 0.00 C ATOM 122 CD2 TRP A 11 -9.383 -2.308 -17.432 1.00 0.00 C ATOM 123 NE1 TRP A 11 -8.358 -3.264 -15.684 1.00 0.00 N ATOM 124 CE2 TRP A 11 -9.459 -3.356 -16.493 1.00 0.00 C ATOM 125 CE3 TRP A 11 -10.400 -2.179 -18.381 1.00 0.00 C ATOM 126 CZ2 TRP A 11 -10.512 -4.267 -16.479 1.00 0.00 C ATOM 127 CZ3 TRP A 11 -11.444 -3.085 -18.366 1.00 0.00 C ATOM 128 CH2 TRP A 11 -11.494 -4.117 -17.420 1.00 0.00 C ATOM 0 H TRP A 11 -6.542 1.324 -16.481 1.00 0.00 H new ATOM 0 HA TRP A 11 -5.713 -1.190 -17.569 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -8.135 0.521 -17.470 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -7.991 -0.435 -18.932 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -6.669 -1.886 -15.626 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -8.139 -3.889 -14.908 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -10.371 -1.386 -19.113 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -10.552 -5.064 -15.751 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -12.235 -2.996 -19.096 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -12.324 -4.808 -17.434 1.00 0.00 H new ATOM 139 N SER A 12 -4.939 -0.741 -19.871 1.00 0.00 N ATOM 140 CA SER A 12 -4.373 -0.472 -21.188 1.00 0.00 C ATOM 141 C SER A 12 -5.465 -0.076 -22.177 1.00 0.00 C ATOM 142 O SER A 12 -6.651 -0.338 -21.970 1.00 0.00 O ATOM 143 CB SER A 12 -3.622 -1.700 -21.705 1.00 0.00 C ATOM 144 OG SER A 12 -2.220 -1.524 -21.595 1.00 0.00 O ATOM 0 H SER A 12 -4.765 -1.683 -19.522 1.00 0.00 H new ATOM 0 HA SER A 12 -3.674 0.359 -21.093 1.00 0.00 H new ATOM 0 HB2 SER A 12 -3.927 -2.581 -21.140 1.00 0.00 H new ATOM 0 HB3 SER A 12 -3.888 -1.881 -22.746 1.00 0.00 H new ATOM 0 HG SER A 12 -1.763 -2.323 -21.930 1.00 0.00 H new ATOM 150 N PRO A 13 -5.058 0.572 -23.279 1.00 0.00 N ATOM 151 CA PRO A 13 -5.985 1.018 -24.323 1.00 0.00 C ATOM 152 C PRO A 13 -6.578 -0.147 -25.108 1.00 0.00 C ATOM 153 O PRO A 13 -7.623 -0.011 -25.745 1.00 0.00 O ATOM 154 CB PRO A 13 -5.107 1.882 -25.231 1.00 0.00 C ATOM 155 CG PRO A 13 -3.725 1.367 -25.024 1.00 0.00 C ATOM 156 CD PRO A 13 -3.661 0.917 -23.590 1.00 0.00 C ATOM 0 HA PRO A 13 -6.843 1.547 -23.908 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -5.410 1.794 -26.274 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -5.180 2.937 -24.965 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -3.511 0.541 -25.702 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -2.986 2.143 -25.223 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -2.998 0.060 -23.467 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -3.287 1.706 -22.937 1.00 0.00 H new ATOM 164 N SER A 14 -5.906 -1.293 -25.056 1.00 0.00 N ATOM 165 CA SER A 14 -6.365 -2.481 -25.766 1.00 0.00 C ATOM 166 C SER A 14 -7.209 -3.366 -24.854 1.00 0.00 C ATOM 167 O SER A 14 -8.060 -4.123 -25.320 1.00 0.00 O ATOM 168 CB SER A 14 -5.172 -3.274 -26.302 1.00 0.00 C ATOM 169 OG SER A 14 -5.272 -3.462 -27.703 1.00 0.00 O ATOM 0 H SER A 14 -5.042 -1.424 -24.530 1.00 0.00 H new ATOM 0 HA SER A 14 -6.983 -2.157 -26.604 1.00 0.00 H new ATOM 0 HB2 SER A 14 -4.247 -2.748 -26.068 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.122 -4.243 -25.805 1.00 0.00 H new ATOM 0 HG SER A 14 -4.497 -3.970 -28.021 1.00 0.00 H new ATOM 175 N GLN A 15 -6.967 -3.264 -23.551 1.00 0.00 N ATOM 176 CA GLN A 15 -7.704 -4.055 -22.573 1.00 0.00 C ATOM 177 C GLN A 15 -9.172 -3.644 -22.535 1.00 0.00 C ATOM 178 O GLN A 15 -10.065 -4.491 -22.544 1.00 0.00 O ATOM 179 CB GLN A 15 -7.082 -3.896 -21.184 1.00 0.00 C ATOM 180 CG GLN A 15 -5.857 -4.768 -20.963 1.00 0.00 C ATOM 181 CD GLN A 15 -6.201 -6.115 -20.358 1.00 0.00 C ATOM 182 OE1 GLN A 15 -6.066 -6.319 -19.151 1.00 0.00 O ATOM 183 NE2 GLN A 15 -6.648 -7.044 -21.195 1.00 0.00 N ATOM 0 H GLN A 15 -6.266 -2.641 -23.148 1.00 0.00 H new ATOM 0 HA GLN A 15 -7.646 -5.102 -22.872 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -6.806 -2.852 -21.036 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.831 -4.138 -20.430 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -5.348 -4.921 -21.915 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -5.159 -4.247 -20.308 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -6.744 -6.832 -22.188 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -6.895 -7.970 -20.845 1.00 0.00 H new ATOM 192 N VAL A 16 -9.415 -2.338 -22.493 1.00 0.00 N ATOM 193 CA VAL A 16 -10.776 -1.814 -22.455 1.00 0.00 C ATOM 194 C VAL A 16 -11.623 -2.405 -23.576 1.00 0.00 C ATOM 195 O VAL A 16 -12.824 -2.621 -23.413 1.00 0.00 O ATOM 196 CB VAL A 16 -10.789 -0.278 -22.570 1.00 0.00 C ATOM 197 CG1 VAL A 16 -12.216 0.247 -22.535 1.00 0.00 C ATOM 198 CG2 VAL A 16 -9.954 0.346 -21.463 1.00 0.00 C ATOM 0 H VAL A 16 -8.688 -1.623 -22.484 1.00 0.00 H new ATOM 0 HA VAL A 16 -11.200 -2.102 -21.493 1.00 0.00 H new ATOM 0 HB VAL A 16 -10.348 0.002 -23.527 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -12.206 1.334 -22.617 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.779 -0.175 -23.367 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -12.687 -0.041 -21.595 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.974 1.432 -21.560 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.363 0.060 -20.494 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -8.925 -0.006 -21.541 1.00 0.00 H new ATOM 208 N VAL A 17 -10.990 -2.665 -24.715 1.00 0.00 N ATOM 209 CA VAL A 17 -11.686 -3.232 -25.864 1.00 0.00 C ATOM 210 C VAL A 17 -12.281 -4.595 -25.528 1.00 0.00 C ATOM 211 O VAL A 17 -13.379 -4.931 -25.972 1.00 0.00 O ATOM 212 CB VAL A 17 -10.744 -3.380 -27.074 1.00 0.00 C ATOM 213 CG1 VAL A 17 -11.523 -3.805 -28.309 1.00 0.00 C ATOM 214 CG2 VAL A 17 -9.995 -2.080 -27.327 1.00 0.00 C ATOM 0 H VAL A 17 -9.996 -2.492 -24.867 1.00 0.00 H new ATOM 0 HA VAL A 17 -12.489 -2.541 -26.120 1.00 0.00 H new ATOM 0 HB VAL A 17 -10.013 -4.157 -26.851 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.841 -3.904 -29.153 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -12.009 -4.762 -28.121 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -12.278 -3.053 -28.539 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -9.334 -2.202 -28.185 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -10.709 -1.282 -27.530 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -9.404 -1.823 -26.448 1.00 0.00 H new ATOM 224 N ASP A 18 -11.549 -5.376 -24.741 1.00 0.00 N ATOM 225 CA ASP A 18 -12.004 -6.703 -24.344 1.00 0.00 C ATOM 226 C ASP A 18 -13.203 -6.608 -23.405 1.00 0.00 C ATOM 227 O ASP A 18 -14.033 -7.514 -23.348 1.00 0.00 O ATOM 228 CB ASP A 18 -10.870 -7.473 -23.666 1.00 0.00 C ATOM 229 CG ASP A 18 -11.098 -8.972 -23.682 1.00 0.00 C ATOM 230 OD1 ASP A 18 -11.104 -9.559 -24.784 1.00 0.00 O ATOM 231 OD2 ASP A 18 -11.270 -9.558 -22.593 1.00 0.00 O ATOM 0 H ASP A 18 -10.638 -5.113 -24.365 1.00 0.00 H new ATOM 0 HA ASP A 18 -12.310 -7.239 -25.243 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -9.930 -7.246 -24.168 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -10.771 -7.134 -22.635 1.00 0.00 H new ATOM 236 N TRP A 19 -13.285 -5.505 -22.669 1.00 0.00 N ATOM 237 CA TRP A 19 -14.382 -5.291 -21.732 1.00 0.00 C ATOM 238 C TRP A 19 -15.694 -5.062 -22.472 1.00 0.00 C ATOM 239 O TRP A 19 -16.731 -5.611 -22.100 1.00 0.00 O ATOM 240 CB TRP A 19 -14.079 -4.098 -20.824 1.00 0.00 C ATOM 241 CG TRP A 19 -15.233 -3.708 -19.951 1.00 0.00 C ATOM 242 CD1 TRP A 19 -15.788 -4.448 -18.946 1.00 0.00 C ATOM 243 CD2 TRP A 19 -15.975 -2.484 -20.008 1.00 0.00 C ATOM 244 NE1 TRP A 19 -16.830 -3.758 -18.375 1.00 0.00 N ATOM 245 CE2 TRP A 19 -16.964 -2.550 -19.007 1.00 0.00 C ATOM 246 CE3 TRP A 19 -15.898 -1.339 -20.805 1.00 0.00 C ATOM 247 CZ2 TRP A 19 -17.869 -1.515 -18.786 1.00 0.00 C ATOM 248 CZ3 TRP A 19 -16.797 -0.312 -20.584 1.00 0.00 C ATOM 249 CH2 TRP A 19 -17.771 -0.406 -19.581 1.00 0.00 C ATOM 0 H TRP A 19 -12.605 -4.745 -22.703 1.00 0.00 H new ATOM 0 HA TRP A 19 -14.484 -6.187 -21.120 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -13.222 -4.338 -20.195 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -13.794 -3.245 -21.440 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -15.457 -5.431 -18.645 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -17.410 -4.091 -17.605 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -15.150 -1.258 -21.580 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -18.621 -1.585 -18.014 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -16.748 0.577 -21.195 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -18.458 0.414 -19.433 1.00 0.00 H new ATOM 260 N MET A 20 -15.642 -4.249 -23.522 1.00 0.00 N ATOM 261 CA MET A 20 -16.829 -3.950 -24.316 1.00 0.00 C ATOM 262 C MET A 20 -17.392 -5.217 -24.951 1.00 0.00 C ATOM 263 O MET A 20 -18.575 -5.284 -25.284 1.00 0.00 O ATOM 264 CB MET A 20 -16.496 -2.925 -25.402 1.00 0.00 C ATOM 265 CG MET A 20 -15.904 -1.634 -24.859 1.00 0.00 C ATOM 266 SD MET A 20 -17.164 -0.411 -24.450 1.00 0.00 S ATOM 267 CE MET A 20 -17.628 0.158 -26.084 1.00 0.00 C ATOM 0 H MET A 20 -14.792 -3.786 -23.843 1.00 0.00 H new ATOM 0 HA MET A 20 -17.585 -3.532 -23.651 1.00 0.00 H new ATOM 0 HB2 MET A 20 -15.793 -3.370 -26.106 1.00 0.00 H new ATOM 0 HB3 MET A 20 -17.403 -2.692 -25.961 1.00 0.00 H new ATOM 0 HG2 MET A 20 -15.315 -1.855 -23.969 1.00 0.00 H new ATOM 0 HG3 MET A 20 -15.221 -1.213 -25.597 1.00 0.00 H new ATOM 0 HE1 MET A 20 -17.453 1.231 -26.159 1.00 0.00 H new ATOM 0 HE2 MET A 20 -17.030 -0.361 -26.833 1.00 0.00 H new ATOM 0 HE3 MET A 20 -18.684 -0.050 -26.255 1.00 0.00 H new ATOM 277 N LYS A 21 -16.537 -6.220 -25.118 1.00 0.00 N ATOM 278 CA LYS A 21 -16.949 -7.486 -25.712 1.00 0.00 C ATOM 279 C LYS A 21 -17.917 -8.228 -24.796 1.00 0.00 C ATOM 280 O LYS A 21 -18.562 -9.191 -25.209 1.00 0.00 O ATOM 281 CB LYS A 21 -15.726 -8.362 -25.996 1.00 0.00 C ATOM 282 CG LYS A 21 -14.776 -7.766 -27.021 1.00 0.00 C ATOM 283 CD LYS A 21 -14.243 -8.826 -27.970 1.00 0.00 C ATOM 284 CE LYS A 21 -14.107 -8.288 -29.386 1.00 0.00 C ATOM 285 NZ LYS A 21 -14.953 -9.044 -30.351 1.00 0.00 N ATOM 0 H LYS A 21 -15.554 -6.181 -24.850 1.00 0.00 H new ATOM 0 HA LYS A 21 -17.459 -7.269 -26.651 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -15.185 -8.528 -25.065 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -16.062 -9.337 -26.348 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -15.292 -6.993 -27.590 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -13.944 -7.283 -26.509 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.273 -9.176 -27.618 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.912 -9.686 -27.969 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -14.389 -7.235 -29.403 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -13.064 -8.343 -29.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -14.832 -8.646 -31.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -14.667 -10.044 -30.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -15.951 -8.970 -30.069 1.00 0.00 H new ATOM 299 N GLY A 22 -18.013 -7.772 -23.551 1.00 0.00 N ATOM 300 CA GLY A 22 -18.906 -8.404 -22.597 1.00 0.00 C ATOM 301 C GLY A 22 -20.014 -7.478 -22.138 1.00 0.00 C ATOM 302 O GLY A 22 -20.608 -7.685 -21.079 1.00 0.00 O ATOM 0 H GLY A 22 -17.489 -6.977 -23.186 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -19.344 -9.294 -23.049 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -18.332 -8.736 -21.732 1.00 0.00 H new ATOM 306 N LEU A 23 -20.293 -6.452 -22.935 1.00 0.00 N ATOM 307 CA LEU A 23 -21.337 -5.488 -22.604 1.00 0.00 C ATOM 308 C LEU A 23 -22.509 -5.600 -23.574 1.00 0.00 C ATOM 309 O LEU A 23 -22.582 -6.537 -24.369 1.00 0.00 O ATOM 310 CB LEU A 23 -20.773 -4.066 -22.631 1.00 0.00 C ATOM 311 CG LEU A 23 -19.491 -3.837 -21.828 1.00 0.00 C ATOM 312 CD1 LEU A 23 -19.081 -2.374 -21.883 1.00 0.00 C ATOM 313 CD2 LEU A 23 -19.678 -4.287 -20.386 1.00 0.00 C ATOM 0 H LEU A 23 -19.811 -6.266 -23.815 1.00 0.00 H new ATOM 0 HA LEU A 23 -21.697 -5.711 -21.600 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -20.582 -3.792 -23.669 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -21.538 -3.386 -22.257 1.00 0.00 H new ATOM 0 HG LEU A 23 -18.694 -4.433 -22.273 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -18.167 -2.230 -21.306 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -18.906 -2.084 -22.919 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -19.876 -1.757 -21.463 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -18.756 -4.117 -19.829 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -20.488 -3.718 -19.929 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -19.924 -5.349 -20.365 1.00 0.00 H new ATOM 325 N ASP A 24 -23.423 -4.639 -23.503 1.00 0.00 N ATOM 326 CA ASP A 24 -24.590 -4.627 -24.376 1.00 0.00 C ATOM 327 C ASP A 24 -24.177 -4.770 -25.838 1.00 0.00 C ATOM 328 O ASP A 24 -23.100 -4.326 -26.235 1.00 0.00 O ATOM 329 CB ASP A 24 -25.386 -3.336 -24.183 1.00 0.00 C ATOM 330 CG ASP A 24 -26.877 -3.586 -24.066 1.00 0.00 C ATOM 331 OD1 ASP A 24 -27.267 -4.497 -23.305 1.00 0.00 O ATOM 332 OD2 ASP A 24 -27.653 -2.873 -24.735 1.00 0.00 O ATOM 0 H ASP A 24 -23.378 -3.857 -22.849 1.00 0.00 H new ATOM 0 HA ASP A 24 -25.220 -5.476 -24.110 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -25.035 -2.827 -23.286 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -25.198 -2.668 -25.023 1.00 0.00 H new ATOM 337 N ASP A 25 -25.039 -5.395 -26.633 1.00 0.00 N ATOM 338 CA ASP A 25 -24.764 -5.597 -28.050 1.00 0.00 C ATOM 339 C ASP A 25 -24.724 -4.264 -28.792 1.00 0.00 C ATOM 340 O ASP A 25 -24.069 -4.137 -29.827 1.00 0.00 O ATOM 341 CB ASP A 25 -25.822 -6.509 -28.672 1.00 0.00 C ATOM 342 CG ASP A 25 -25.211 -7.667 -29.437 1.00 0.00 C ATOM 343 OD1 ASP A 25 -24.225 -7.440 -30.169 1.00 0.00 O ATOM 344 OD2 ASP A 25 -25.718 -8.800 -29.303 1.00 0.00 O ATOM 0 H ASP A 25 -25.934 -5.770 -26.320 1.00 0.00 H new ATOM 0 HA ASP A 25 -23.787 -6.072 -28.141 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -26.470 -6.898 -27.886 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -26.451 -5.925 -29.344 1.00 0.00 H new ATOM 349 N CYS A 26 -25.430 -3.274 -28.256 1.00 0.00 N ATOM 350 CA CYS A 26 -25.477 -1.951 -28.868 1.00 0.00 C ATOM 351 C CYS A 26 -24.137 -1.238 -28.726 1.00 0.00 C ATOM 352 O CYS A 26 -23.821 -0.328 -29.494 1.00 0.00 O ATOM 353 CB CYS A 26 -26.586 -1.111 -28.231 1.00 0.00 C ATOM 354 SG CYS A 26 -28.253 -1.562 -28.766 1.00 0.00 S ATOM 0 H CYS A 26 -25.977 -3.363 -27.400 1.00 0.00 H new ATOM 0 HA CYS A 26 -25.690 -2.076 -29.930 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -26.525 -1.210 -27.147 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -26.412 -0.061 -28.466 1.00 0.00 H new ATOM 0 HG CYS A 26 -29.121 -0.798 -28.172 1.00 0.00 H new ATOM 360 N LEU A 27 -23.353 -1.655 -27.738 1.00 0.00 N ATOM 361 CA LEU A 27 -22.045 -1.055 -27.493 1.00 0.00 C ATOM 362 C LEU A 27 -20.943 -1.851 -28.184 1.00 0.00 C ATOM 363 O LEU A 27 -19.776 -1.774 -27.802 1.00 0.00 O ATOM 364 CB LEU A 27 -21.770 -0.980 -25.990 1.00 0.00 C ATOM 365 CG LEU A 27 -22.968 -0.635 -25.105 1.00 0.00 C ATOM 366 CD1 LEU A 27 -22.617 -0.817 -23.637 1.00 0.00 C ATOM 367 CD2 LEU A 27 -23.436 0.788 -25.371 1.00 0.00 C ATOM 0 H LEU A 27 -23.600 -2.406 -27.093 1.00 0.00 H new ATOM 0 HA LEU A 27 -22.052 -0.046 -27.906 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -21.369 -1.940 -25.666 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -20.992 -0.236 -25.820 1.00 0.00 H new ATOM 0 HG LEU A 27 -23.784 -1.316 -25.349 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -23.482 -0.567 -23.022 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -22.331 -1.853 -23.457 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -21.786 -0.161 -23.378 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -24.289 1.016 -24.732 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -22.625 1.484 -25.155 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -23.729 0.885 -26.416 1.00 0.00 H new ATOM 379 N GLN A 28 -21.322 -2.614 -29.205 1.00 0.00 N ATOM 380 CA GLN A 28 -20.364 -3.422 -29.950 1.00 0.00 C ATOM 381 C GLN A 28 -19.801 -2.645 -31.136 1.00 0.00 C ATOM 382 O GLN A 28 -18.590 -2.614 -31.349 1.00 0.00 O ATOM 383 CB GLN A 28 -21.026 -4.712 -30.439 1.00 0.00 C ATOM 384 CG GLN A 28 -21.529 -5.602 -29.314 1.00 0.00 C ATOM 385 CD GLN A 28 -20.405 -6.159 -28.463 1.00 0.00 C ATOM 386 OE1 GLN A 28 -19.477 -6.788 -28.974 1.00 0.00 O ATOM 387 NE2 GLN A 28 -20.481 -5.931 -27.157 1.00 0.00 N ATOM 0 H GLN A 28 -22.284 -2.689 -29.534 1.00 0.00 H new ATOM 0 HA GLN A 28 -19.541 -3.674 -29.281 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -21.862 -4.457 -31.091 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -20.311 -5.272 -31.042 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -22.210 -5.032 -28.682 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -22.102 -6.427 -29.737 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -21.268 -5.405 -26.776 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -19.753 -6.282 -26.535 1.00 0.00 H new ATOM 396 N GLN A 29 -20.689 -2.020 -31.903 1.00 0.00 N ATOM 397 CA GLN A 29 -20.279 -1.244 -33.067 1.00 0.00 C ATOM 398 C GLN A 29 -19.268 -0.171 -32.677 1.00 0.00 C ATOM 399 O GLN A 29 -18.458 0.261 -33.499 1.00 0.00 O ATOM 400 CB GLN A 29 -21.497 -0.597 -33.729 1.00 0.00 C ATOM 401 CG GLN A 29 -22.253 0.354 -32.816 1.00 0.00 C ATOM 402 CD GLN A 29 -23.499 0.922 -33.467 1.00 0.00 C ATOM 403 OE1 GLN A 29 -23.417 1.734 -34.389 1.00 0.00 O ATOM 404 NE2 GLN A 29 -24.663 0.497 -32.989 1.00 0.00 N ATOM 0 H GLN A 29 -21.696 -2.036 -31.739 1.00 0.00 H new ATOM 0 HA GLN A 29 -19.806 -1.923 -33.777 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -21.172 -0.054 -34.616 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -22.176 -1.380 -34.066 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -22.532 -0.171 -31.902 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -21.595 1.172 -32.525 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -24.685 -0.177 -32.224 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -25.535 0.844 -33.387 1.00 0.00 H new ATOM 413 N TYR A 30 -19.320 0.256 -31.421 1.00 0.00 N ATOM 414 CA TYR A 30 -18.410 1.281 -30.923 1.00 0.00 C ATOM 415 C TYR A 30 -17.021 0.701 -30.673 1.00 0.00 C ATOM 416 O TYR A 30 -16.021 1.418 -30.717 1.00 0.00 O ATOM 417 CB TYR A 30 -18.958 1.896 -29.634 1.00 0.00 C ATOM 418 CG TYR A 30 -20.332 2.507 -29.791 1.00 0.00 C ATOM 419 CD1 TYR A 30 -20.649 3.277 -30.903 1.00 0.00 C ATOM 420 CD2 TYR A 30 -21.314 2.313 -28.827 1.00 0.00 C ATOM 421 CE1 TYR A 30 -21.903 3.837 -31.050 1.00 0.00 C ATOM 422 CE2 TYR A 30 -22.571 2.869 -28.966 1.00 0.00 C ATOM 423 CZ TYR A 30 -22.861 3.630 -30.079 1.00 0.00 C ATOM 424 OH TYR A 30 -24.111 4.186 -30.222 1.00 0.00 O ATOM 0 H TYR A 30 -19.983 -0.092 -30.728 1.00 0.00 H new ATOM 0 HA TYR A 30 -18.328 2.059 -31.682 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -18.998 1.127 -28.863 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -18.266 2.663 -29.285 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -19.902 3.441 -31.666 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -21.091 1.717 -27.954 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -22.132 4.434 -31.920 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -23.323 2.709 -28.207 1.00 0.00 H new ATOM 0 HH TYR A 30 -24.760 3.670 -29.700 1.00 0.00 H new ATOM 434 N ILE A 31 -16.969 -0.600 -30.411 1.00 0.00 N ATOM 435 CA ILE A 31 -15.703 -1.277 -30.156 1.00 0.00 C ATOM 436 C ILE A 31 -14.693 -0.988 -31.261 1.00 0.00 C ATOM 437 O ILE A 31 -13.532 -0.680 -30.991 1.00 0.00 O ATOM 438 CB ILE A 31 -15.894 -2.801 -30.036 1.00 0.00 C ATOM 439 CG1 ILE A 31 -16.910 -3.125 -28.939 1.00 0.00 C ATOM 440 CG2 ILE A 31 -14.563 -3.480 -29.751 1.00 0.00 C ATOM 441 CD1 ILE A 31 -17.179 -4.605 -28.782 1.00 0.00 C ATOM 0 H ILE A 31 -17.788 -1.207 -30.370 1.00 0.00 H new ATOM 0 HA ILE A 31 -15.323 -0.891 -29.210 1.00 0.00 H new ATOM 0 HB ILE A 31 -16.278 -3.180 -30.983 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -16.548 -2.727 -27.991 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -17.847 -2.615 -29.161 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -14.714 -4.556 -29.669 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -13.867 -3.272 -30.564 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -14.153 -3.099 -28.816 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -17.908 -4.760 -27.987 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -17.571 -5.005 -29.717 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -16.252 -5.118 -28.529 1.00 0.00 H new ATOM 453 N LYS A 32 -15.142 -1.088 -32.507 1.00 0.00 N ATOM 454 CA LYS A 32 -14.279 -0.834 -33.655 1.00 0.00 C ATOM 455 C LYS A 32 -13.657 0.556 -33.571 1.00 0.00 C ATOM 456 O LYS A 32 -12.572 0.793 -34.100 1.00 0.00 O ATOM 457 CB LYS A 32 -15.073 -0.971 -34.956 1.00 0.00 C ATOM 458 CG LYS A 32 -15.759 -2.318 -35.112 1.00 0.00 C ATOM 459 CD LYS A 32 -15.481 -2.931 -36.474 1.00 0.00 C ATOM 460 CE LYS A 32 -16.752 -3.470 -37.112 1.00 0.00 C ATOM 461 NZ LYS A 32 -17.703 -2.379 -37.461 1.00 0.00 N ATOM 0 H LYS A 32 -16.100 -1.343 -32.748 1.00 0.00 H new ATOM 0 HA LYS A 32 -13.478 -1.573 -33.646 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -15.825 -0.183 -34.997 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -14.401 -0.815 -35.800 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -15.415 -2.995 -34.330 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -16.834 -2.197 -34.979 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -15.034 -2.181 -37.127 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -14.755 -3.737 -36.370 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -16.497 -4.031 -38.011 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -17.235 -4.167 -36.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -18.345 -2.705 -38.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -18.257 -2.119 -36.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -17.172 -1.550 -37.795 1.00 0.00 H new ATOM 475 N ASN A 33 -14.350 1.470 -32.901 1.00 0.00 N ATOM 476 CA ASN A 33 -13.864 2.837 -32.747 1.00 0.00 C ATOM 477 C ASN A 33 -12.940 2.953 -31.538 1.00 0.00 C ATOM 478 O ASN A 33 -12.056 3.808 -31.499 1.00 0.00 O ATOM 479 CB ASN A 33 -15.040 3.805 -32.598 1.00 0.00 C ATOM 480 CG ASN A 33 -15.870 3.904 -33.863 1.00 0.00 C ATOM 481 OD1 ASN A 33 -15.388 3.619 -34.960 1.00 0.00 O ATOM 482 ND2 ASN A 33 -17.126 4.310 -33.716 1.00 0.00 N ATOM 0 H ASN A 33 -15.250 1.290 -32.456 1.00 0.00 H new ATOM 0 HA ASN A 33 -13.298 3.098 -33.641 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -15.675 3.477 -31.775 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -14.663 4.793 -32.336 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -17.733 4.396 -34.531 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -17.484 4.536 -32.788 1.00 0.00 H new ATOM 489 N PHE A 34 -13.152 2.086 -30.554 1.00 0.00 N ATOM 490 CA PHE A 34 -12.338 2.090 -29.343 1.00 0.00 C ATOM 491 C PHE A 34 -10.963 1.486 -29.610 1.00 0.00 C ATOM 492 O PHE A 34 -9.989 1.810 -28.931 1.00 0.00 O ATOM 493 CB PHE A 34 -13.041 1.314 -28.228 1.00 0.00 C ATOM 494 CG PHE A 34 -13.952 2.163 -27.388 1.00 0.00 C ATOM 495 CD1 PHE A 34 -15.008 2.850 -27.966 1.00 0.00 C ATOM 496 CD2 PHE A 34 -13.753 2.274 -26.022 1.00 0.00 C ATOM 497 CE1 PHE A 34 -15.847 3.632 -27.195 1.00 0.00 C ATOM 498 CE2 PHE A 34 -14.589 3.055 -25.246 1.00 0.00 C ATOM 499 CZ PHE A 34 -15.638 3.735 -25.834 1.00 0.00 C ATOM 0 H PHE A 34 -13.880 1.372 -30.571 1.00 0.00 H new ATOM 0 HA PHE A 34 -12.205 3.125 -29.028 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -13.619 0.503 -28.670 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -12.289 0.856 -27.585 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -15.177 2.773 -29.030 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -12.935 1.744 -25.557 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -16.666 4.163 -27.657 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -14.422 3.133 -24.182 1.00 0.00 H new ATOM 0 HZ PHE A 34 -16.293 4.346 -25.231 1.00 0.00 H new ATOM 509 N GLU A 35 -10.892 0.605 -30.603 1.00 0.00 N ATOM 510 CA GLU A 35 -9.637 -0.045 -30.959 1.00 0.00 C ATOM 511 C GLU A 35 -8.680 0.943 -31.619 1.00 0.00 C ATOM 512 O GLU A 35 -7.482 0.948 -31.335 1.00 0.00 O ATOM 513 CB GLU A 35 -9.896 -1.226 -31.897 1.00 0.00 C ATOM 514 CG GLU A 35 -9.589 -2.577 -31.275 1.00 0.00 C ATOM 515 CD GLU A 35 -8.108 -2.903 -31.289 1.00 0.00 C ATOM 516 OE1 GLU A 35 -7.350 -2.194 -31.983 1.00 0.00 O ATOM 517 OE2 GLU A 35 -7.707 -3.867 -30.604 1.00 0.00 O ATOM 0 H GLU A 35 -11.689 0.325 -31.175 1.00 0.00 H new ATOM 0 HA GLU A 35 -9.176 -0.413 -30.042 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.940 -1.208 -32.210 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.292 -1.104 -32.796 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.950 -2.590 -30.247 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -10.133 -3.353 -31.814 1.00 0.00 H new ATOM 524 N ARG A 36 -9.217 1.779 -32.502 1.00 0.00 N ATOM 525 CA ARG A 36 -8.412 2.770 -33.204 1.00 0.00 C ATOM 526 C ARG A 36 -8.161 3.990 -32.322 1.00 0.00 C ATOM 527 O ARG A 36 -7.134 4.656 -32.447 1.00 0.00 O ATOM 528 CB ARG A 36 -9.106 3.198 -34.498 1.00 0.00 C ATOM 529 CG ARG A 36 -8.144 3.657 -35.582 1.00 0.00 C ATOM 530 CD ARG A 36 -8.838 4.542 -36.605 1.00 0.00 C ATOM 531 NE ARG A 36 -8.206 4.460 -37.919 1.00 0.00 N ATOM 532 CZ ARG A 36 -8.540 5.234 -38.945 1.00 0.00 C ATOM 533 NH1 ARG A 36 -9.495 6.144 -38.810 1.00 0.00 N ATOM 534 NH2 ARG A 36 -7.918 5.100 -40.110 1.00 0.00 N ATOM 0 H ARG A 36 -10.207 1.789 -32.748 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.452 2.315 -33.448 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -9.696 2.364 -34.877 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.803 4.006 -34.276 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.317 4.203 -35.128 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.716 2.788 -36.082 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -9.885 4.249 -36.687 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -8.823 5.576 -36.260 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.467 3.770 -38.056 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -9.975 6.251 -37.916 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -9.750 6.737 -39.600 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.182 4.402 -40.218 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.176 5.695 -40.897 1.00 0.00 H new ATOM 548 N GLU A 37 -9.106 4.275 -31.432 1.00 0.00 N ATOM 549 CA GLU A 37 -8.986 5.415 -30.531 1.00 0.00 C ATOM 550 C GLU A 37 -8.050 5.095 -29.369 1.00 0.00 C ATOM 551 O GLU A 37 -7.508 5.995 -28.727 1.00 0.00 O ATOM 552 CB GLU A 37 -10.362 5.817 -29.995 1.00 0.00 C ATOM 553 CG GLU A 37 -11.169 6.665 -30.965 1.00 0.00 C ATOM 554 CD GLU A 37 -11.437 8.060 -30.434 1.00 0.00 C ATOM 555 OE1 GLU A 37 -10.460 8.787 -30.157 1.00 0.00 O ATOM 556 OE2 GLU A 37 -12.624 8.425 -30.297 1.00 0.00 O ATOM 0 H GLU A 37 -9.962 3.733 -31.316 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.566 6.248 -31.095 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.927 4.916 -29.756 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.233 6.369 -29.064 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.634 6.737 -31.912 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.118 6.170 -31.172 1.00 0.00 H new ATOM 563 N LYS A 38 -7.866 3.806 -29.103 1.00 0.00 N ATOM 564 CA LYS A 38 -6.996 3.364 -28.020 1.00 0.00 C ATOM 565 C LYS A 38 -7.460 3.932 -26.683 1.00 0.00 C ATOM 566 O LYS A 38 -6.652 4.413 -25.888 1.00 0.00 O ATOM 567 CB LYS A 38 -5.552 3.790 -28.293 1.00 0.00 C ATOM 568 CG LYS A 38 -4.956 3.155 -29.538 1.00 0.00 C ATOM 569 CD LYS A 38 -4.183 1.890 -29.204 1.00 0.00 C ATOM 570 CE LYS A 38 -3.545 1.283 -30.444 1.00 0.00 C ATOM 571 NZ LYS A 38 -2.836 0.010 -30.137 1.00 0.00 N ATOM 0 H LYS A 38 -8.309 3.049 -29.623 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.045 2.276 -27.969 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.515 4.875 -28.395 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -4.936 3.530 -27.432 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.752 2.920 -30.244 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.294 3.868 -30.030 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.410 2.118 -28.470 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.853 1.163 -28.745 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.314 1.099 -31.194 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.842 1.995 -30.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.415 -0.372 -31.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -2.086 0.190 -29.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.512 -0.679 -29.748 1.00 0.00 H new ATOM 585 N ILE A 39 -8.766 3.872 -26.441 1.00 0.00 N ATOM 586 CA ILE A 39 -9.336 4.379 -25.199 1.00 0.00 C ATOM 587 C ILE A 39 -8.707 3.698 -23.988 1.00 0.00 C ATOM 588 O ILE A 39 -8.942 2.516 -23.736 1.00 0.00 O ATOM 589 CB ILE A 39 -10.862 4.173 -25.155 1.00 0.00 C ATOM 590 CG1 ILE A 39 -11.527 4.874 -26.341 1.00 0.00 C ATOM 591 CG2 ILE A 39 -11.428 4.691 -23.841 1.00 0.00 C ATOM 592 CD1 ILE A 39 -11.368 6.378 -26.321 1.00 0.00 C ATOM 0 H ILE A 39 -9.448 3.478 -27.088 1.00 0.00 H new ATOM 0 HA ILE A 39 -9.121 5.447 -25.165 1.00 0.00 H new ATOM 0 HB ILE A 39 -11.073 3.106 -25.223 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -11.104 4.484 -27.267 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -12.589 4.629 -26.348 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.507 4.539 -23.824 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.973 4.151 -23.011 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -11.210 5.755 -23.745 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -11.864 6.808 -27.191 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.817 6.779 -25.412 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.308 6.632 -26.345 1.00 0.00 H new ATOM 604 N SER A 40 -7.909 4.453 -23.239 1.00 0.00 N ATOM 605 CA SER A 40 -7.245 3.923 -22.055 1.00 0.00 C ATOM 606 C SER A 40 -8.166 3.988 -20.840 1.00 0.00 C ATOM 607 O SER A 40 -9.110 4.775 -20.805 1.00 0.00 O ATOM 608 CB SER A 40 -5.957 4.700 -21.775 1.00 0.00 C ATOM 609 OG SER A 40 -5.978 5.967 -22.409 1.00 0.00 O ATOM 0 H SER A 40 -7.707 5.434 -23.432 1.00 0.00 H new ATOM 0 HA SER A 40 -6.997 2.879 -22.245 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.833 4.830 -20.700 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.099 4.127 -22.128 1.00 0.00 H new ATOM 0 HG SER A 40 -5.145 6.445 -22.213 1.00 0.00 H new ATOM 615 N GLY A 41 -7.882 3.153 -19.845 1.00 0.00 N ATOM 616 CA GLY A 41 -8.693 3.131 -18.642 1.00 0.00 C ATOM 617 C GLY A 41 -8.791 4.493 -17.983 1.00 0.00 C ATOM 618 O GLY A 41 -9.871 4.914 -17.569 1.00 0.00 O ATOM 0 H GLY A 41 -7.105 2.492 -19.851 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.694 2.778 -18.889 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.269 2.418 -17.935 1.00 0.00 H new ATOM 622 N ASP A 42 -7.660 5.183 -17.884 1.00 0.00 N ATOM 623 CA ASP A 42 -7.622 6.505 -17.270 1.00 0.00 C ATOM 624 C ASP A 42 -8.641 7.436 -17.921 1.00 0.00 C ATOM 625 O ASP A 42 -9.141 8.364 -17.287 1.00 0.00 O ATOM 626 CB ASP A 42 -6.220 7.104 -17.385 1.00 0.00 C ATOM 627 CG ASP A 42 -6.091 8.423 -16.648 1.00 0.00 C ATOM 628 OD1 ASP A 42 -5.961 8.398 -15.407 1.00 0.00 O ATOM 629 OD2 ASP A 42 -6.121 9.480 -17.313 1.00 0.00 O ATOM 0 H ASP A 42 -6.757 4.849 -18.221 1.00 0.00 H new ATOM 0 HA ASP A 42 -7.877 6.396 -16.216 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.492 6.397 -16.988 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.977 7.254 -18.437 1.00 0.00 H new ATOM 634 N GLN A 43 -8.942 7.180 -19.190 1.00 0.00 N ATOM 635 CA GLN A 43 -9.899 7.997 -19.927 1.00 0.00 C ATOM 636 C GLN A 43 -11.307 7.422 -19.812 1.00 0.00 C ATOM 637 O GLN A 43 -12.296 8.147 -19.920 1.00 0.00 O ATOM 638 CB GLN A 43 -9.494 8.093 -21.399 1.00 0.00 C ATOM 639 CG GLN A 43 -8.223 8.895 -21.629 1.00 0.00 C ATOM 640 CD GLN A 43 -8.024 9.268 -23.084 1.00 0.00 C ATOM 641 OE1 GLN A 43 -6.973 8.998 -23.668 1.00 0.00 O ATOM 642 NE2 GLN A 43 -9.034 9.891 -23.680 1.00 0.00 N ATOM 0 H GLN A 43 -8.538 6.414 -19.729 1.00 0.00 H new ATOM 0 HA GLN A 43 -9.897 8.996 -19.491 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -9.356 7.087 -21.796 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -10.308 8.549 -21.962 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -8.257 9.803 -21.027 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -7.366 8.316 -21.286 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -9.887 10.095 -23.158 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -8.957 10.166 -24.659 1.00 0.00 H new ATOM 651 N LEU A 44 -11.391 6.114 -19.592 1.00 0.00 N ATOM 652 CA LEU A 44 -12.678 5.441 -19.463 1.00 0.00 C ATOM 653 C LEU A 44 -13.311 5.732 -18.106 1.00 0.00 C ATOM 654 O LEU A 44 -14.486 6.092 -18.021 1.00 0.00 O ATOM 655 CB LEU A 44 -12.507 3.931 -19.645 1.00 0.00 C ATOM 656 CG LEU A 44 -13.768 3.086 -19.459 1.00 0.00 C ATOM 657 CD1 LEU A 44 -14.492 2.910 -20.784 1.00 0.00 C ATOM 658 CD2 LEU A 44 -13.418 1.733 -18.856 1.00 0.00 C ATOM 0 H LEU A 44 -10.583 5.499 -19.499 1.00 0.00 H new ATOM 0 HA LEU A 44 -13.339 5.822 -20.241 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -12.115 3.748 -20.646 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -11.753 3.583 -18.939 1.00 0.00 H new ATOM 0 HG LEU A 44 -14.434 3.607 -18.771 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -15.387 2.306 -20.632 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -14.776 3.887 -21.176 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -13.834 2.411 -21.495 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -14.327 1.145 -18.730 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -12.733 1.205 -19.519 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -12.943 1.879 -17.886 1.00 0.00 H new ATOM 670 N LEU A 45 -12.524 5.576 -17.046 1.00 0.00 N ATOM 671 CA LEU A 45 -13.006 5.825 -15.692 1.00 0.00 C ATOM 672 C LEU A 45 -13.650 7.204 -15.588 1.00 0.00 C ATOM 673 O LEU A 45 -14.623 7.392 -14.857 1.00 0.00 O ATOM 674 CB LEU A 45 -11.856 5.710 -14.691 1.00 0.00 C ATOM 675 CG LEU A 45 -12.170 4.971 -13.389 1.00 0.00 C ATOM 676 CD1 LEU A 45 -12.381 3.489 -13.655 1.00 0.00 C ATOM 677 CD2 LEU A 45 -11.055 5.180 -12.375 1.00 0.00 C ATOM 0 H LEU A 45 -11.550 5.278 -17.099 1.00 0.00 H new ATOM 0 HA LEU A 45 -13.760 5.074 -15.457 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -11.024 5.204 -15.181 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -11.516 6.715 -14.442 1.00 0.00 H new ATOM 0 HG LEU A 45 -13.092 5.379 -12.974 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -12.603 2.979 -12.718 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -13.214 3.358 -14.346 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -11.477 3.066 -14.093 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -11.295 4.647 -11.455 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -10.118 4.799 -12.781 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -10.952 6.244 -12.162 1.00 0.00 H new ATOM 689 N ARG A 46 -13.102 8.164 -16.326 1.00 0.00 N ATOM 690 CA ARG A 46 -13.624 9.526 -16.317 1.00 0.00 C ATOM 691 C ARG A 46 -14.226 9.886 -17.672 1.00 0.00 C ATOM 692 O ARG A 46 -14.198 11.045 -18.087 1.00 0.00 O ATOM 693 CB ARG A 46 -12.515 10.517 -15.960 1.00 0.00 C ATOM 694 CG ARG A 46 -11.406 10.591 -16.997 1.00 0.00 C ATOM 695 CD ARG A 46 -10.210 11.373 -16.479 1.00 0.00 C ATOM 696 NE ARG A 46 -10.079 12.671 -17.135 1.00 0.00 N ATOM 697 CZ ARG A 46 -9.290 13.643 -16.690 1.00 0.00 C ATOM 698 NH1 ARG A 46 -8.567 13.465 -15.594 1.00 0.00 N ATOM 699 NH2 ARG A 46 -9.225 14.797 -17.342 1.00 0.00 N ATOM 0 H ARG A 46 -12.297 8.024 -16.937 1.00 0.00 H new ATOM 0 HA ARG A 46 -14.409 9.583 -15.563 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -12.951 11.508 -15.836 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -12.084 10.236 -14.999 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -11.093 9.583 -17.269 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -11.785 11.062 -17.904 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -10.311 11.519 -15.404 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -9.301 10.793 -16.638 1.00 0.00 H new ATOM 0 HE ARG A 46 -10.623 12.841 -17.981 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.615 12.580 -15.089 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.962 14.213 -15.255 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -9.781 14.938 -18.185 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -8.619 15.543 -17.000 1.00 0.00 H new ATOM 713 N ILE A 47 -14.768 8.885 -18.358 1.00 0.00 N ATOM 714 CA ILE A 47 -15.377 9.097 -19.665 1.00 0.00 C ATOM 715 C ILE A 47 -16.616 9.980 -19.559 1.00 0.00 C ATOM 716 O ILE A 47 -17.486 9.749 -18.719 1.00 0.00 O ATOM 717 CB ILE A 47 -15.767 7.762 -20.327 1.00 0.00 C ATOM 718 CG1 ILE A 47 -16.297 8.005 -21.742 1.00 0.00 C ATOM 719 CG2 ILE A 47 -16.804 7.036 -19.485 1.00 0.00 C ATOM 720 CD1 ILE A 47 -15.475 7.333 -22.819 1.00 0.00 C ATOM 0 H ILE A 47 -14.798 7.920 -18.030 1.00 0.00 H new ATOM 0 HA ILE A 47 -14.631 9.596 -20.283 1.00 0.00 H new ATOM 0 HB ILE A 47 -14.879 7.134 -20.395 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -17.324 7.646 -21.803 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -16.323 9.078 -21.932 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -17.069 6.095 -19.966 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -16.393 6.835 -18.496 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -17.694 7.658 -19.389 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -15.909 7.548 -23.795 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -14.453 7.710 -22.785 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -15.470 6.256 -22.654 1.00 0.00 H new ATOM 732 N THR A 48 -16.690 10.992 -20.417 1.00 0.00 N ATOM 733 CA THR A 48 -17.822 11.910 -20.421 1.00 0.00 C ATOM 734 C THR A 48 -18.576 11.848 -21.744 1.00 0.00 C ATOM 735 O THR A 48 -18.125 11.212 -22.698 1.00 0.00 O ATOM 736 CB THR A 48 -17.370 13.361 -20.167 1.00 0.00 C ATOM 737 OG1 THR A 48 -18.512 14.205 -19.985 1.00 0.00 O ATOM 738 CG2 THR A 48 -16.532 13.877 -21.327 1.00 0.00 C ATOM 0 H THR A 48 -15.979 11.197 -21.119 1.00 0.00 H new ATOM 0 HA THR A 48 -18.485 11.598 -19.614 1.00 0.00 H new ATOM 0 HB THR A 48 -16.760 13.376 -19.264 1.00 0.00 H new ATOM 0 HG1 THR A 48 -18.216 15.125 -19.822 1.00 0.00 H new ATOM 0 HG21 THR A 48 -16.224 14.903 -21.125 1.00 0.00 H new ATOM 0 HG22 THR A 48 -15.648 13.250 -21.445 1.00 0.00 H new ATOM 0 HG23 THR A 48 -17.122 13.848 -22.243 1.00 0.00 H new ATOM 746 N HIS A 49 -19.726 12.513 -21.797 1.00 0.00 N ATOM 747 CA HIS A 49 -20.542 12.534 -23.005 1.00 0.00 C ATOM 748 C HIS A 49 -19.718 12.981 -24.209 1.00 0.00 C ATOM 749 O HIS A 49 -19.804 12.390 -25.285 1.00 0.00 O ATOM 750 CB HIS A 49 -21.742 13.463 -22.820 1.00 0.00 C ATOM 751 CG HIS A 49 -22.942 12.782 -22.239 1.00 0.00 C ATOM 752 ND1 HIS A 49 -23.339 12.945 -20.928 1.00 0.00 N ATOM 753 CD2 HIS A 49 -23.837 11.934 -22.798 1.00 0.00 C ATOM 754 CE1 HIS A 49 -24.424 12.224 -20.706 1.00 0.00 C ATOM 755 NE2 HIS A 49 -24.747 11.602 -21.825 1.00 0.00 N ATOM 0 H HIS A 49 -20.113 13.044 -21.017 1.00 0.00 H new ATOM 0 HA HIS A 49 -20.902 11.522 -23.188 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -21.454 14.290 -22.171 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -22.010 13.893 -23.785 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -23.835 11.584 -23.820 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -24.956 12.155 -19.769 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -25.543 10.976 -21.947 1.00 0.00 H new ATOM 763 N GLN A 50 -18.922 14.029 -24.019 1.00 0.00 N ATOM 764 CA GLN A 50 -18.085 14.555 -25.090 1.00 0.00 C ATOM 765 C GLN A 50 -17.144 13.480 -25.625 1.00 0.00 C ATOM 766 O GLN A 50 -17.004 13.312 -26.836 1.00 0.00 O ATOM 767 CB GLN A 50 -17.277 15.755 -24.592 1.00 0.00 C ATOM 768 CG GLN A 50 -17.565 17.040 -25.350 1.00 0.00 C ATOM 769 CD GLN A 50 -18.843 17.714 -24.891 1.00 0.00 C ATOM 770 OE1 GLN A 50 -19.637 17.129 -24.153 1.00 0.00 O ATOM 771 NE2 GLN A 50 -19.050 18.951 -25.327 1.00 0.00 N ATOM 0 H GLN A 50 -18.840 14.530 -23.134 1.00 0.00 H new ATOM 0 HA GLN A 50 -18.738 14.877 -25.902 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -17.489 15.912 -23.534 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -16.214 15.526 -24.673 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -16.729 17.728 -25.222 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -17.637 16.821 -26.415 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -18.366 19.398 -25.937 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -19.893 19.454 -25.052 1.00 0.00 H new ATOM 780 N GLU A 51 -16.502 12.756 -24.714 1.00 0.00 N ATOM 781 CA GLU A 51 -15.574 11.698 -25.095 1.00 0.00 C ATOM 782 C GLU A 51 -16.271 10.646 -25.952 1.00 0.00 C ATOM 783 O GLU A 51 -15.789 10.285 -27.027 1.00 0.00 O ATOM 784 CB GLU A 51 -14.974 11.042 -23.850 1.00 0.00 C ATOM 785 CG GLU A 51 -13.681 11.690 -23.383 1.00 0.00 C ATOM 786 CD GLU A 51 -12.459 11.119 -24.077 1.00 0.00 C ATOM 787 OE1 GLU A 51 -12.620 10.177 -24.881 1.00 0.00 O ATOM 788 OE2 GLU A 51 -11.343 11.615 -23.817 1.00 0.00 O ATOM 0 H GLU A 51 -16.607 12.883 -23.707 1.00 0.00 H new ATOM 0 HA GLU A 51 -14.773 12.147 -25.682 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -15.703 11.082 -23.041 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -14.788 9.989 -24.059 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -13.730 12.763 -23.566 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -13.579 11.555 -22.306 1.00 0.00 H new ATOM 795 N LEU A 52 -17.408 10.156 -25.469 1.00 0.00 N ATOM 796 CA LEU A 52 -18.172 9.144 -26.189 1.00 0.00 C ATOM 797 C LEU A 52 -18.611 9.663 -27.555 1.00 0.00 C ATOM 798 O LEU A 52 -18.544 8.946 -28.553 1.00 0.00 O ATOM 799 CB LEU A 52 -19.396 8.724 -25.373 1.00 0.00 C ATOM 800 CG LEU A 52 -19.127 7.794 -24.190 1.00 0.00 C ATOM 801 CD1 LEU A 52 -20.315 7.781 -23.240 1.00 0.00 C ATOM 802 CD2 LEU A 52 -18.816 6.387 -24.678 1.00 0.00 C ATOM 0 H LEU A 52 -17.821 10.444 -24.582 1.00 0.00 H new ATOM 0 HA LEU A 52 -17.529 8.277 -26.339 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -19.884 9.624 -24.998 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -20.103 8.233 -26.042 1.00 0.00 H new ATOM 0 HG LEU A 52 -18.259 8.169 -23.648 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -20.105 7.114 -22.404 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -20.491 8.789 -22.864 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -21.201 7.431 -23.770 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -18.627 5.739 -23.822 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -19.664 6.003 -25.244 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -17.933 6.410 -25.317 1.00 0.00 H new ATOM 814 N GLU A 53 -19.059 10.915 -27.591 1.00 0.00 N ATOM 815 CA GLU A 53 -19.507 11.529 -28.835 1.00 0.00 C ATOM 816 C GLU A 53 -18.400 11.502 -29.885 1.00 0.00 C ATOM 817 O GLU A 53 -18.660 11.298 -31.071 1.00 0.00 O ATOM 818 CB GLU A 53 -19.953 12.972 -28.585 1.00 0.00 C ATOM 819 CG GLU A 53 -21.393 13.242 -28.989 1.00 0.00 C ATOM 820 CD GLU A 53 -22.042 14.323 -28.147 1.00 0.00 C ATOM 821 OE1 GLU A 53 -22.363 14.048 -26.972 1.00 0.00 O ATOM 822 OE2 GLU A 53 -22.228 15.445 -28.663 1.00 0.00 O ATOM 0 H GLU A 53 -19.121 11.522 -26.774 1.00 0.00 H new ATOM 0 HA GLU A 53 -20.354 10.954 -29.210 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -19.832 13.203 -27.527 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -19.297 13.647 -29.135 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -21.423 13.537 -30.038 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -21.970 12.322 -28.900 1.00 0.00 H new ATOM 829 N ASP A 54 -17.166 11.711 -29.440 1.00 0.00 N ATOM 830 CA ASP A 54 -16.018 11.711 -30.340 1.00 0.00 C ATOM 831 C ASP A 54 -15.839 10.343 -30.991 1.00 0.00 C ATOM 832 O ASP A 54 -15.658 10.240 -32.206 1.00 0.00 O ATOM 833 CB ASP A 54 -14.748 12.098 -29.582 1.00 0.00 C ATOM 834 CG ASP A 54 -13.663 12.624 -30.501 1.00 0.00 C ATOM 835 OD1 ASP A 54 -13.857 13.709 -31.089 1.00 0.00 O ATOM 836 OD2 ASP A 54 -12.619 11.952 -30.631 1.00 0.00 O ATOM 0 H ASP A 54 -16.935 11.883 -28.462 1.00 0.00 H new ATOM 0 HA ASP A 54 -16.202 12.446 -31.124 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -14.989 12.857 -28.838 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -14.372 11.230 -29.041 1.00 0.00 H new ATOM 841 N LEU A 55 -15.890 9.294 -30.177 1.00 0.00 N ATOM 842 CA LEU A 55 -15.733 7.932 -30.674 1.00 0.00 C ATOM 843 C LEU A 55 -16.756 7.627 -31.763 1.00 0.00 C ATOM 844 O LEU A 55 -16.529 6.776 -32.622 1.00 0.00 O ATOM 845 CB LEU A 55 -15.878 6.930 -29.527 1.00 0.00 C ATOM 846 CG LEU A 55 -14.753 6.928 -28.491 1.00 0.00 C ATOM 847 CD1 LEU A 55 -15.321 6.785 -27.087 1.00 0.00 C ATOM 848 CD2 LEU A 55 -13.761 5.812 -28.783 1.00 0.00 C ATOM 0 H LEU A 55 -16.039 9.361 -29.170 1.00 0.00 H new ATOM 0 HA LEU A 55 -14.735 7.842 -31.104 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -16.818 7.130 -29.013 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -15.955 5.929 -29.953 1.00 0.00 H new ATOM 0 HG LEU A 55 -14.226 7.880 -28.553 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -14.506 6.786 -26.363 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -15.992 7.619 -26.879 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -15.873 5.848 -27.011 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -12.967 5.826 -28.036 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -14.274 4.851 -28.750 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -13.330 5.959 -29.773 1.00 0.00 H new ATOM 860 N GLY A 56 -17.884 8.330 -31.721 1.00 0.00 N ATOM 861 CA GLY A 56 -18.925 8.122 -32.711 1.00 0.00 C ATOM 862 C GLY A 56 -20.293 7.941 -32.084 1.00 0.00 C ATOM 863 O GLY A 56 -21.315 8.108 -32.749 1.00 0.00 O ATOM 0 H GLY A 56 -18.095 9.040 -31.019 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -18.950 8.973 -33.391 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -18.683 7.243 -33.309 1.00 0.00 H new ATOM 867 N VAL A 57 -20.313 7.595 -30.801 1.00 0.00 N ATOM 868 CA VAL A 57 -21.566 7.390 -30.084 1.00 0.00 C ATOM 869 C VAL A 57 -22.406 8.662 -30.070 1.00 0.00 C ATOM 870 O VAL A 57 -22.209 9.538 -29.228 1.00 0.00 O ATOM 871 CB VAL A 57 -21.315 6.937 -28.634 1.00 0.00 C ATOM 872 CG1 VAL A 57 -22.623 6.544 -27.963 1.00 0.00 C ATOM 873 CG2 VAL A 57 -20.322 5.785 -28.600 1.00 0.00 C ATOM 0 H VAL A 57 -19.476 7.451 -30.237 1.00 0.00 H new ATOM 0 HA VAL A 57 -22.109 6.606 -30.613 1.00 0.00 H new ATOM 0 HB VAL A 57 -20.887 7.772 -28.080 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -22.426 6.227 -26.939 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -23.299 7.399 -27.954 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -23.083 5.724 -28.515 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -20.156 5.478 -27.567 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -20.720 4.945 -29.169 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -19.377 6.106 -29.039 1.00 0.00 H new ATOM 883 N SER A 58 -23.343 8.757 -31.008 1.00 0.00 N ATOM 884 CA SER A 58 -24.212 9.924 -31.105 1.00 0.00 C ATOM 885 C SER A 58 -25.460 9.745 -30.246 1.00 0.00 C ATOM 886 O SER A 58 -25.917 10.684 -29.594 1.00 0.00 O ATOM 887 CB SER A 58 -24.611 10.168 -32.562 1.00 0.00 C ATOM 888 OG SER A 58 -24.982 8.958 -33.198 1.00 0.00 O ATOM 0 H SER A 58 -23.520 8.040 -31.712 1.00 0.00 H new ATOM 0 HA SER A 58 -23.661 10.789 -30.737 1.00 0.00 H new ATOM 0 HB2 SER A 58 -25.441 10.873 -32.602 1.00 0.00 H new ATOM 0 HB3 SER A 58 -23.779 10.625 -33.099 1.00 0.00 H new ATOM 0 HG SER A 58 -25.234 9.141 -34.127 1.00 0.00 H new ATOM 894 N ARG A 59 -26.006 8.534 -30.252 1.00 0.00 N ATOM 895 CA ARG A 59 -27.202 8.231 -29.475 1.00 0.00 C ATOM 896 C ARG A 59 -26.979 8.532 -27.995 1.00 0.00 C ATOM 897 O ARG A 59 -25.841 8.620 -27.534 1.00 0.00 O ATOM 898 CB ARG A 59 -27.595 6.764 -29.655 1.00 0.00 C ATOM 899 CG ARG A 59 -28.805 6.563 -30.551 1.00 0.00 C ATOM 900 CD ARG A 59 -29.985 5.996 -29.777 1.00 0.00 C ATOM 901 NE ARG A 59 -31.136 5.744 -30.639 1.00 0.00 N ATOM 902 CZ ARG A 59 -31.955 6.698 -31.068 1.00 0.00 C ATOM 903 NH1 ARG A 59 -31.750 7.960 -30.717 1.00 0.00 N ATOM 904 NH2 ARG A 59 -32.982 6.390 -31.851 1.00 0.00 N ATOM 0 H ARG A 59 -25.639 7.746 -30.786 1.00 0.00 H new ATOM 0 HA ARG A 59 -28.012 8.864 -29.839 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -26.749 6.219 -30.074 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -27.802 6.329 -28.677 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -29.088 7.515 -31.001 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -28.546 5.889 -31.367 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -29.687 5.067 -29.291 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -30.269 6.692 -28.988 1.00 0.00 H new ATOM 0 HE ARG A 59 -31.321 4.783 -30.928 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -30.962 8.201 -30.116 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -32.381 8.690 -31.048 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -33.143 5.420 -32.124 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -33.610 7.123 -32.180 1.00 0.00 H new ATOM 918 N ILE A 60 -28.073 8.688 -27.258 1.00 0.00 N ATOM 919 CA ILE A 60 -27.997 8.978 -25.831 1.00 0.00 C ATOM 920 C ILE A 60 -28.178 7.710 -25.002 1.00 0.00 C ATOM 921 O ILE A 60 -27.409 7.445 -24.079 1.00 0.00 O ATOM 922 CB ILE A 60 -29.060 10.009 -25.409 1.00 0.00 C ATOM 923 CG1 ILE A 60 -28.948 11.270 -26.269 1.00 0.00 C ATOM 924 CG2 ILE A 60 -28.909 10.352 -23.935 1.00 0.00 C ATOM 925 CD1 ILE A 60 -27.610 11.965 -26.152 1.00 0.00 C ATOM 0 H ILE A 60 -29.022 8.619 -27.625 1.00 0.00 H new ATOM 0 HA ILE A 60 -27.006 9.393 -25.645 1.00 0.00 H new ATOM 0 HB ILE A 60 -30.048 9.574 -25.561 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -29.120 11.005 -27.312 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -29.736 11.966 -25.983 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -29.667 11.082 -23.652 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -29.033 9.449 -23.337 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -27.918 10.771 -23.759 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -27.603 12.850 -26.789 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -27.443 12.262 -25.116 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -26.818 11.285 -26.467 1.00 0.00 H new ATOM 937 N GLY A 61 -29.199 6.929 -25.340 1.00 0.00 N ATOM 938 CA GLY A 61 -29.461 5.697 -24.619 1.00 0.00 C ATOM 939 C GLY A 61 -28.246 4.794 -24.553 1.00 0.00 C ATOM 940 O GLY A 61 -28.111 3.988 -23.632 1.00 0.00 O ATOM 0 H GLY A 61 -29.850 7.127 -26.100 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -29.788 5.935 -23.607 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -30.280 5.164 -25.102 1.00 0.00 H new ATOM 944 N HIS A 62 -27.358 4.926 -25.533 1.00 0.00 N ATOM 945 CA HIS A 62 -26.147 4.114 -25.584 1.00 0.00 C ATOM 946 C HIS A 62 -25.028 4.757 -24.770 1.00 0.00 C ATOM 947 O HIS A 62 -24.325 4.079 -24.022 1.00 0.00 O ATOM 948 CB HIS A 62 -25.696 3.922 -27.032 1.00 0.00 C ATOM 949 CG HIS A 62 -26.772 3.394 -27.930 1.00 0.00 C ATOM 950 ND1 HIS A 62 -26.888 3.751 -29.256 1.00 0.00 N ATOM 951 CD2 HIS A 62 -27.784 2.529 -27.684 1.00 0.00 C ATOM 952 CE1 HIS A 62 -27.925 3.129 -29.788 1.00 0.00 C ATOM 953 NE2 HIS A 62 -28.486 2.381 -28.855 1.00 0.00 N ATOM 0 H HIS A 62 -27.454 5.588 -26.303 1.00 0.00 H new ATOM 0 HA HIS A 62 -26.374 3.140 -25.151 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -25.343 4.876 -27.423 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -24.849 3.237 -27.052 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -27.999 2.046 -26.743 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -28.258 3.217 -30.812 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -29.307 1.790 -28.983 1.00 0.00 H new ATOM 961 N GLN A 63 -24.869 6.068 -24.923 1.00 0.00 N ATOM 962 CA GLN A 63 -23.834 6.800 -24.204 1.00 0.00 C ATOM 963 C GLN A 63 -23.928 6.544 -22.704 1.00 0.00 C ATOM 964 O GLN A 63 -22.927 6.605 -21.991 1.00 0.00 O ATOM 965 CB GLN A 63 -23.952 8.299 -24.485 1.00 0.00 C ATOM 966 CG GLN A 63 -23.178 8.751 -25.713 1.00 0.00 C ATOM 967 CD GLN A 63 -22.920 10.244 -25.724 1.00 0.00 C ATOM 968 OE1 GLN A 63 -22.052 10.741 -25.006 1.00 0.00 O ATOM 969 NE2 GLN A 63 -23.675 10.970 -26.541 1.00 0.00 N ATOM 0 H GLN A 63 -25.444 6.644 -25.538 1.00 0.00 H new ATOM 0 HA GLN A 63 -22.864 6.446 -24.554 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -25.004 8.554 -24.615 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -23.594 8.852 -23.617 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -22.226 8.222 -25.753 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -23.734 8.476 -26.609 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -24.383 10.517 -27.119 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -23.547 11.981 -26.591 1.00 0.00 H new ATOM 978 N GLU A 64 -25.138 6.256 -22.232 1.00 0.00 N ATOM 979 CA GLU A 64 -25.361 5.992 -20.816 1.00 0.00 C ATOM 980 C GLU A 64 -25.212 4.504 -20.510 1.00 0.00 C ATOM 981 O GLU A 64 -24.798 4.122 -19.414 1.00 0.00 O ATOM 982 CB GLU A 64 -26.753 6.472 -20.398 1.00 0.00 C ATOM 983 CG GLU A 64 -26.782 7.916 -19.927 1.00 0.00 C ATOM 984 CD GLU A 64 -27.327 8.060 -18.520 1.00 0.00 C ATOM 985 OE1 GLU A 64 -28.549 7.883 -18.335 1.00 0.00 O ATOM 986 OE2 GLU A 64 -26.530 8.350 -17.603 1.00 0.00 O ATOM 0 H GLU A 64 -25.977 6.200 -22.809 1.00 0.00 H new ATOM 0 HA GLU A 64 -24.609 6.540 -20.248 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -27.435 6.360 -21.241 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -27.125 5.830 -19.599 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -25.773 8.327 -19.966 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -27.393 8.505 -20.611 1.00 0.00 H new ATOM 993 N LEU A 65 -25.551 3.669 -21.485 1.00 0.00 N ATOM 994 CA LEU A 65 -25.456 2.222 -21.322 1.00 0.00 C ATOM 995 C LEU A 65 -24.067 1.820 -20.835 1.00 0.00 C ATOM 996 O LEU A 65 -23.931 1.048 -19.885 1.00 0.00 O ATOM 997 CB LEU A 65 -25.770 1.518 -22.643 1.00 0.00 C ATOM 998 CG LEU A 65 -27.118 0.800 -22.717 1.00 0.00 C ATOM 999 CD1 LEU A 65 -27.580 0.681 -24.161 1.00 0.00 C ATOM 1000 CD2 LEU A 65 -27.027 -0.574 -22.069 1.00 0.00 C ATOM 0 H LEU A 65 -25.894 3.969 -22.398 1.00 0.00 H new ATOM 0 HA LEU A 65 -26.186 1.916 -20.573 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -25.730 2.257 -23.444 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -24.982 0.791 -22.840 1.00 0.00 H new ATOM 0 HG LEU A 65 -27.853 1.390 -22.169 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -28.541 0.167 -24.194 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -27.685 1.676 -24.593 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -26.845 0.114 -24.732 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -27.995 -1.070 -22.131 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -26.279 -1.172 -22.589 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -26.742 -0.465 -21.023 1.00 0.00 H new ATOM 1012 N ILE A 66 -23.040 2.349 -21.491 1.00 0.00 N ATOM 1013 CA ILE A 66 -21.662 2.047 -21.123 1.00 0.00 C ATOM 1014 C ILE A 66 -21.341 2.565 -19.725 1.00 0.00 C ATOM 1015 O ILE A 66 -20.794 1.840 -18.893 1.00 0.00 O ATOM 1016 CB ILE A 66 -20.665 2.657 -22.126 1.00 0.00 C ATOM 1017 CG1 ILE A 66 -20.964 2.160 -23.542 1.00 0.00 C ATOM 1018 CG2 ILE A 66 -19.237 2.313 -21.729 1.00 0.00 C ATOM 1019 CD1 ILE A 66 -20.266 2.956 -24.622 1.00 0.00 C ATOM 0 H ILE A 66 -23.136 2.989 -22.280 1.00 0.00 H new ATOM 0 HA ILE A 66 -21.561 0.962 -21.138 1.00 0.00 H new ATOM 0 HB ILE A 66 -20.775 3.741 -22.111 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -20.665 1.115 -23.622 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -22.040 2.198 -23.712 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -18.544 2.751 -22.447 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -19.030 2.711 -20.736 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -19.113 1.230 -21.719 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -20.524 2.548 -25.599 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -20.583 3.997 -24.569 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -19.187 2.897 -24.477 1.00 0.00 H new ATOM 1031 N LEU A 67 -21.685 3.823 -19.473 1.00 0.00 N ATOM 1032 CA LEU A 67 -21.435 4.439 -18.174 1.00 0.00 C ATOM 1033 C LEU A 67 -21.987 3.573 -17.046 1.00 0.00 C ATOM 1034 O LEU A 67 -21.286 3.277 -16.079 1.00 0.00 O ATOM 1035 CB LEU A 67 -22.065 5.832 -18.119 1.00 0.00 C ATOM 1036 CG LEU A 67 -21.583 6.829 -19.173 1.00 0.00 C ATOM 1037 CD1 LEU A 67 -22.538 8.008 -19.268 1.00 0.00 C ATOM 1038 CD2 LEU A 67 -20.174 7.305 -18.852 1.00 0.00 C ATOM 0 H LEU A 67 -22.138 4.437 -20.151 1.00 0.00 H new ATOM 0 HA LEU A 67 -20.357 4.529 -18.043 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -23.145 5.724 -18.217 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -21.875 6.256 -17.133 1.00 0.00 H new ATOM 0 HG LEU A 67 -21.563 6.326 -20.140 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -22.179 8.707 -20.023 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -23.530 7.651 -19.546 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -22.591 8.512 -18.303 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -19.847 8.014 -19.613 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -20.168 7.791 -17.876 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -19.496 6.451 -18.837 1.00 0.00 H new ATOM 1050 N GLU A 68 -23.247 3.170 -17.178 1.00 0.00 N ATOM 1051 CA GLU A 68 -23.892 2.338 -16.170 1.00 0.00 C ATOM 1052 C GLU A 68 -23.048 1.104 -15.862 1.00 0.00 C ATOM 1053 O GLU A 68 -23.079 0.579 -14.750 1.00 0.00 O ATOM 1054 CB GLU A 68 -25.284 1.912 -16.642 1.00 0.00 C ATOM 1055 CG GLU A 68 -26.144 1.316 -15.540 1.00 0.00 C ATOM 1056 CD GLU A 68 -27.351 0.573 -16.080 1.00 0.00 C ATOM 1057 OE1 GLU A 68 -27.716 0.807 -17.251 1.00 0.00 O ATOM 1058 OE2 GLU A 68 -27.930 -0.242 -15.332 1.00 0.00 O ATOM 0 H GLU A 68 -23.841 3.406 -17.973 1.00 0.00 H new ATOM 0 HA GLU A 68 -23.990 2.927 -15.258 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -25.796 2.777 -17.063 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -25.179 1.182 -17.444 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -25.540 0.634 -14.941 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -26.479 2.112 -14.875 1.00 0.00 H new ATOM 1065 N ALA A 69 -22.296 0.646 -16.858 1.00 0.00 N ATOM 1066 CA ALA A 69 -21.443 -0.525 -16.694 1.00 0.00 C ATOM 1067 C ALA A 69 -20.123 -0.153 -16.027 1.00 0.00 C ATOM 1068 O ALA A 69 -19.626 -0.878 -15.165 1.00 0.00 O ATOM 1069 CB ALA A 69 -21.188 -1.184 -18.042 1.00 0.00 C ATOM 0 H ALA A 69 -22.260 1.068 -17.786 1.00 0.00 H new ATOM 0 HA ALA A 69 -21.960 -1.234 -16.047 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -20.550 -2.057 -17.905 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -22.137 -1.493 -18.481 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -20.695 -0.474 -18.706 1.00 0.00 H new ATOM 1075 N VAL A 70 -19.559 0.981 -16.431 1.00 0.00 N ATOM 1076 CA VAL A 70 -18.297 1.449 -15.871 1.00 0.00 C ATOM 1077 C VAL A 70 -18.383 1.580 -14.355 1.00 0.00 C ATOM 1078 O VAL A 70 -17.407 1.339 -13.644 1.00 0.00 O ATOM 1079 CB VAL A 70 -17.887 2.807 -16.470 1.00 0.00 C ATOM 1080 CG1 VAL A 70 -16.585 3.293 -15.851 1.00 0.00 C ATOM 1081 CG2 VAL A 70 -17.762 2.706 -17.983 1.00 0.00 C ATOM 0 H VAL A 70 -19.956 1.592 -17.144 1.00 0.00 H new ATOM 0 HA VAL A 70 -17.542 0.705 -16.126 1.00 0.00 H new ATOM 0 HB VAL A 70 -18.665 3.535 -16.240 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -16.311 4.254 -16.287 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -16.714 3.406 -14.775 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -15.796 2.568 -16.048 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -17.472 3.675 -18.390 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -17.005 1.964 -18.237 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -18.720 2.407 -18.408 1.00 0.00 H new ATOM 1091 N ASP A 71 -19.557 1.963 -13.865 1.00 0.00 N ATOM 1092 CA ASP A 71 -19.772 2.125 -12.432 1.00 0.00 C ATOM 1093 C ASP A 71 -19.371 0.862 -11.676 1.00 0.00 C ATOM 1094 O ASP A 71 -18.668 0.926 -10.667 1.00 0.00 O ATOM 1095 CB ASP A 71 -21.238 2.459 -12.149 1.00 0.00 C ATOM 1096 CG ASP A 71 -21.405 3.340 -10.927 1.00 0.00 C ATOM 1097 OD1 ASP A 71 -20.966 2.927 -9.833 1.00 0.00 O ATOM 1098 OD2 ASP A 71 -21.975 4.442 -11.064 1.00 0.00 O ATOM 0 H ASP A 71 -20.375 2.167 -14.440 1.00 0.00 H new ATOM 0 HA ASP A 71 -19.146 2.948 -12.087 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -21.667 2.960 -13.016 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -21.797 1.534 -12.006 1.00 0.00 H new ATOM 1103 N LEU A 72 -19.822 -0.286 -12.171 1.00 0.00 N ATOM 1104 CA LEU A 72 -19.510 -1.565 -11.542 1.00 0.00 C ATOM 1105 C LEU A 72 -18.004 -1.805 -11.512 1.00 0.00 C ATOM 1106 O LEU A 72 -17.479 -2.409 -10.576 1.00 0.00 O ATOM 1107 CB LEU A 72 -20.206 -2.705 -12.288 1.00 0.00 C ATOM 1108 CG LEU A 72 -21.642 -3.010 -11.860 1.00 0.00 C ATOM 1109 CD1 LEU A 72 -21.664 -3.641 -10.477 1.00 0.00 C ATOM 1110 CD2 LEU A 72 -22.485 -1.743 -11.884 1.00 0.00 C ATOM 0 H LEU A 72 -20.404 -0.357 -13.005 1.00 0.00 H new ATOM 0 HA LEU A 72 -19.874 -1.535 -10.515 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -20.208 -2.468 -13.352 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -19.611 -3.610 -12.164 1.00 0.00 H new ATOM 0 HG LEU A 72 -22.069 -3.721 -12.567 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -22.694 -3.851 -10.189 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -21.095 -4.570 -10.492 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -21.219 -2.955 -9.757 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -23.504 -1.978 -11.577 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -22.059 -1.010 -11.199 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -22.496 -1.332 -12.894 1.00 0.00 H new ATOM 1122 N LEU A 73 -17.314 -1.327 -12.542 1.00 0.00 N ATOM 1123 CA LEU A 73 -15.867 -1.488 -12.634 1.00 0.00 C ATOM 1124 C LEU A 73 -15.161 -0.701 -11.534 1.00 0.00 C ATOM 1125 O LEU A 73 -14.175 -1.165 -10.960 1.00 0.00 O ATOM 1126 CB LEU A 73 -15.369 -1.028 -14.005 1.00 0.00 C ATOM 1127 CG LEU A 73 -15.043 -2.136 -15.007 1.00 0.00 C ATOM 1128 CD1 LEU A 73 -14.729 -1.545 -16.373 1.00 0.00 C ATOM 1129 CD2 LEU A 73 -13.880 -2.980 -14.508 1.00 0.00 C ATOM 0 H LEU A 73 -17.733 -0.825 -13.325 1.00 0.00 H new ATOM 0 HA LEU A 73 -15.635 -2.545 -12.506 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -16.126 -0.379 -14.445 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -14.475 -0.422 -13.860 1.00 0.00 H new ATOM 0 HG LEU A 73 -15.917 -2.780 -15.105 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -14.499 -2.348 -17.073 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -15.591 -0.985 -16.734 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -13.871 -0.878 -16.292 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -13.662 -3.764 -15.233 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -13.001 -2.349 -14.380 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -14.143 -3.433 -13.552 1.00 0.00 H new