USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 804 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 80 TYR OH : rot -73:sc= 0.416 USER MOD Set 1.2: A 84 GLN : amide:sc= 0.389 K(o=0.81,f=0) USER MOD Set 2.1: A 66 ASN : amide:sc= -2.82 X(o=-3.7,f=-3.8) USER MOD Set 2.2: A 87 SER OG : rot 140:sc= -0.881 USER MOD Set 3.1: A 53 TYR OH : rot 18:sc= -4.59! USER MOD Set 3.2: A 81 HIS : no HE2:sc= -10.5! C(o=-26!,f=-33!) USER MOD Set 3.3: A 88 HIS : no HD1:sc= -10.6! C(o=-26!,f=-27!) USER MOD Set 4.1: A 43 SER OG : rot -90:sc= -1.26 USER MOD Set 4.2: A 52 HIS : no HE2:sc= -11.8! C(o=-13!,f=-18!) USER MOD Set 5.1: A 10 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 12 SER OG : rot 180:sc= 0.0362 USER MOD Single : A 1 SER N :NH3+ -160:sc= 0 (180deg=-0.00446) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -1.34 K(o=-1.3,f=-2.7!) USER MOD Single : A 23 ASN : amide:sc= -11.4! C(o=-11!,f=-12!) USER MOD Single : A 25 THR OG1 : rot 15:sc= 0.391 USER MOD Single : A 33 SER OG : rot 61:sc= -1.35 USER MOD Single : A 35 LYS NZ :NH3+ -153:sc= -0.979 (180deg=-3.27!) USER MOD Single : A 37 SER OG : rot 31:sc= 0.723! USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 7:sc= 0.705! USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 158:sc= 1.17 (180deg=-0.0224) USER MOD Single : A 64 HIS : no HE2:sc= -4.1! C(o=-4.1!,f=-5.6!) USER MOD Single : A 70 SER OG : rot 180:sc= 0.00803 USER MOD Single : A 73 SER OG : rot 180:sc= -0.148 USER MOD Single : A 79 ASN : amide:sc= -0.302 X(o=-0.3,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= -1.01 USER MOD Single : A 96 CYS SG : rot 180:sc= -1.12 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 HIS : no HE2:sc= -0.655 X(o=-0.65,f=-0.99) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 9.160 4.613 8.974 1.00 0.00 N ATOM 2 CA SER A 1 10.163 3.960 8.092 1.00 0.00 C ATOM 3 C SER A 1 9.486 3.185 6.966 1.00 0.00 C ATOM 4 O SER A 1 9.789 3.388 5.791 1.00 0.00 O ATOM 5 CB SER A 1 11.018 3.017 8.942 1.00 0.00 C ATOM 6 OG SER A 1 12.021 2.394 8.159 1.00 0.00 O ATOM 0 H1 SER A 1 9.614 5.384 9.504 1.00 0.00 H new ATOM 0 H2 SER A 1 8.387 4.999 8.395 1.00 0.00 H new ATOM 0 H3 SER A 1 8.777 3.913 9.641 1.00 0.00 H new ATOM 0 HA SER A 1 10.789 4.726 7.633 1.00 0.00 H new ATOM 0 HB2 SER A 1 11.481 3.575 9.756 1.00 0.00 H new ATOM 0 HB3 SER A 1 10.383 2.257 9.398 1.00 0.00 H new ATOM 0 HG SER A 1 12.555 1.798 8.725 1.00 0.00 H new ATOM 14 N GLU A 2 8.568 2.298 7.335 1.00 0.00 N ATOM 15 CA GLU A 2 7.848 1.491 6.356 1.00 0.00 C ATOM 16 C GLU A 2 6.378 1.902 6.287 1.00 0.00 C ATOM 17 O GLU A 2 5.881 2.609 7.161 1.00 0.00 O ATOM 18 CB GLU A 2 7.961 0.006 6.705 1.00 0.00 C ATOM 19 CG GLU A 2 9.091 -0.705 5.977 1.00 0.00 C ATOM 20 CD GLU A 2 8.591 -1.629 4.885 1.00 0.00 C ATOM 21 OE1 GLU A 2 7.539 -2.272 5.086 1.00 0.00 O ATOM 22 OE2 GLU A 2 9.252 -1.711 3.828 1.00 0.00 O ATOM 0 H GLU A 2 8.305 2.120 8.304 1.00 0.00 H new ATOM 0 HA GLU A 2 8.300 1.661 5.379 1.00 0.00 H new ATOM 0 HB2 GLU A 2 8.111 -0.096 7.780 1.00 0.00 H new ATOM 0 HB3 GLU A 2 7.019 -0.488 6.467 1.00 0.00 H new ATOM 0 HG2 GLU A 2 9.761 0.036 5.542 1.00 0.00 H new ATOM 0 HG3 GLU A 2 9.676 -1.280 6.695 1.00 0.00 H new ATOM 29 N PRO A 3 5.660 1.448 5.244 1.00 0.00 N ATOM 30 CA PRO A 3 4.237 1.765 5.067 1.00 0.00 C ATOM 31 C PRO A 3 3.422 1.486 6.326 1.00 0.00 C ATOM 32 O PRO A 3 2.342 2.046 6.513 1.00 0.00 O ATOM 33 CB PRO A 3 3.797 0.828 3.938 1.00 0.00 C ATOM 34 CG PRO A 3 5.043 0.489 3.190 1.00 0.00 C ATOM 35 CD PRO A 3 6.180 0.583 4.171 1.00 0.00 C ATOM 0 HA PRO A 3 4.083 2.822 4.849 1.00 0.00 H new ATOM 0 HB2 PRO A 3 3.322 -0.069 4.336 1.00 0.00 H new ATOM 0 HB3 PRO A 3 3.069 1.313 3.288 1.00 0.00 H new ATOM 0 HG2 PRO A 3 4.979 -0.514 2.768 1.00 0.00 H new ATOM 0 HG3 PRO A 3 5.193 1.177 2.358 1.00 0.00 H new ATOM 0 HD2 PRO A 3 6.460 -0.399 4.552 1.00 0.00 H new ATOM 0 HD3 PRO A 3 7.070 1.012 3.710 1.00 0.00 H new ATOM 43 N TRP A 4 3.943 0.611 7.183 1.00 0.00 N ATOM 44 CA TRP A 4 3.264 0.246 8.422 1.00 0.00 C ATOM 45 C TRP A 4 2.095 -0.685 8.131 1.00 0.00 C ATOM 46 O TRP A 4 1.047 -0.255 7.647 1.00 0.00 O ATOM 47 CB TRP A 4 2.777 1.495 9.166 1.00 0.00 C ATOM 48 CG TRP A 4 3.352 1.624 10.543 1.00 0.00 C ATOM 49 CD1 TRP A 4 3.514 0.626 11.460 1.00 0.00 C ATOM 50 CD2 TRP A 4 3.843 2.819 11.160 1.00 0.00 C ATOM 51 NE1 TRP A 4 4.075 1.127 12.610 1.00 0.00 N ATOM 52 CE2 TRP A 4 4.287 2.472 12.450 1.00 0.00 C ATOM 53 CE3 TRP A 4 3.952 4.150 10.747 1.00 0.00 C ATOM 54 CZ2 TRP A 4 4.830 3.406 13.328 1.00 0.00 C ATOM 55 CZ3 TRP A 4 4.490 5.077 11.620 1.00 0.00 C ATOM 56 CH2 TRP A 4 4.923 4.701 12.897 1.00 0.00 C ATOM 0 H TRP A 4 4.837 0.140 7.040 1.00 0.00 H new ATOM 0 HA TRP A 4 3.977 -0.275 9.060 1.00 0.00 H new ATOM 0 HB2 TRP A 4 3.038 2.380 8.586 1.00 0.00 H new ATOM 0 HB3 TRP A 4 1.689 1.468 9.235 1.00 0.00 H new ATOM 0 HD1 TRP A 4 3.241 -0.407 11.304 1.00 0.00 H new ATOM 0 HE1 TRP A 4 4.297 0.587 13.446 1.00 0.00 H new ATOM 0 HE3 TRP A 4 3.622 4.449 9.763 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 5.166 3.119 14.314 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 4.578 6.108 11.312 1.00 0.00 H new ATOM 0 HH2 TRP A 4 5.339 5.449 13.556 1.00 0.00 H new ATOM 67 N PHE A 5 2.286 -1.967 8.420 1.00 0.00 N ATOM 68 CA PHE A 5 1.253 -2.964 8.183 1.00 0.00 C ATOM 69 C PHE A 5 0.081 -2.782 9.142 1.00 0.00 C ATOM 70 O PHE A 5 0.216 -2.969 10.351 1.00 0.00 O ATOM 71 CB PHE A 5 1.829 -4.377 8.321 1.00 0.00 C ATOM 72 CG PHE A 5 2.674 -4.571 9.550 1.00 0.00 C ATOM 73 CD1 PHE A 5 2.091 -4.890 10.766 1.00 0.00 C ATOM 74 CD2 PHE A 5 4.052 -4.436 9.486 1.00 0.00 C ATOM 75 CE1 PHE A 5 2.866 -5.070 11.896 1.00 0.00 C ATOM 76 CE2 PHE A 5 4.832 -4.616 10.614 1.00 0.00 C ATOM 77 CZ PHE A 5 4.238 -4.933 11.819 1.00 0.00 C ATOM 0 H PHE A 5 3.148 -2.339 8.819 1.00 0.00 H new ATOM 0 HA PHE A 5 0.887 -2.828 7.165 1.00 0.00 H new ATOM 0 HB2 PHE A 5 1.008 -5.094 8.339 1.00 0.00 H new ATOM 0 HB3 PHE A 5 2.429 -4.602 7.440 1.00 0.00 H new ATOM 0 HD1 PHE A 5 1.019 -4.999 10.831 1.00 0.00 H new ATOM 0 HD2 PHE A 5 4.522 -4.188 8.546 1.00 0.00 H new ATOM 0 HE1 PHE A 5 2.399 -5.317 12.838 1.00 0.00 H new ATOM 0 HE2 PHE A 5 5.905 -4.509 10.552 1.00 0.00 H new ATOM 0 HZ PHE A 5 4.846 -5.074 12.701 1.00 0.00 H new ATOM 87 N PHE A 6 -1.070 -2.430 8.586 1.00 0.00 N ATOM 88 CA PHE A 6 -2.278 -2.237 9.371 1.00 0.00 C ATOM 89 C PHE A 6 -3.394 -3.100 8.801 1.00 0.00 C ATOM 90 O PHE A 6 -4.147 -2.664 7.930 1.00 0.00 O ATOM 91 CB PHE A 6 -2.690 -0.767 9.365 1.00 0.00 C ATOM 92 CG PHE A 6 -2.013 0.051 10.429 1.00 0.00 C ATOM 93 CD1 PHE A 6 -0.640 0.231 10.415 1.00 0.00 C ATOM 94 CD2 PHE A 6 -2.751 0.640 11.445 1.00 0.00 C ATOM 95 CE1 PHE A 6 -0.014 0.982 11.393 1.00 0.00 C ATOM 96 CE2 PHE A 6 -2.133 1.393 12.424 1.00 0.00 C ATOM 97 CZ PHE A 6 -0.761 1.563 12.398 1.00 0.00 C ATOM 0 H PHE A 6 -1.191 -2.272 7.586 1.00 0.00 H new ATOM 0 HA PHE A 6 -2.085 -2.532 10.402 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.463 -0.338 8.389 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.770 -0.700 9.499 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -0.051 -0.221 9.631 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -3.823 0.508 11.471 1.00 0.00 H new ATOM 0 HE1 PHE A 6 1.058 1.114 11.371 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -2.720 1.848 13.208 1.00 0.00 H new ATOM 0 HZ PHE A 6 -0.274 2.150 13.163 1.00 0.00 H new ATOM 107 N GLY A 7 -3.488 -4.330 9.292 1.00 0.00 N ATOM 108 CA GLY A 7 -4.497 -5.246 8.814 1.00 0.00 C ATOM 109 C GLY A 7 -5.848 -5.010 9.444 1.00 0.00 C ATOM 110 O GLY A 7 -6.751 -5.835 9.308 1.00 0.00 O ATOM 0 H GLY A 7 -2.878 -4.708 10.017 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.584 -5.150 7.732 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.179 -6.268 9.019 1.00 0.00 H new ATOM 114 N CYS A 8 -5.999 -3.889 10.138 1.00 0.00 N ATOM 115 CA CYS A 8 -7.260 -3.581 10.778 1.00 0.00 C ATOM 116 C CYS A 8 -7.819 -2.235 10.316 1.00 0.00 C ATOM 117 O CYS A 8 -8.923 -1.852 10.702 1.00 0.00 O ATOM 118 CB CYS A 8 -7.105 -3.592 12.299 1.00 0.00 C ATOM 119 SG CYS A 8 -8.467 -4.396 13.175 1.00 0.00 S ATOM 0 H CYS A 8 -5.269 -3.188 10.268 1.00 0.00 H new ATOM 0 HA CYS A 8 -7.971 -4.354 10.485 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -6.174 -4.098 12.555 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -7.017 -2.564 12.652 1.00 0.00 H new ATOM 0 HG CYS A 8 -8.243 -4.356 14.455 1.00 0.00 H new ATOM 125 N ILE A 9 -7.061 -1.521 9.487 1.00 0.00 N ATOM 126 CA ILE A 9 -7.504 -0.225 8.985 1.00 0.00 C ATOM 127 C ILE A 9 -8.554 -0.391 7.894 1.00 0.00 C ATOM 128 O ILE A 9 -8.234 -0.755 6.763 1.00 0.00 O ATOM 129 CB ILE A 9 -6.334 0.600 8.415 1.00 0.00 C ATOM 130 CG1 ILE A 9 -5.594 -0.192 7.338 1.00 0.00 C ATOM 131 CG2 ILE A 9 -5.380 1.021 9.518 1.00 0.00 C ATOM 132 CD1 ILE A 9 -5.546 0.527 6.016 1.00 0.00 C ATOM 0 H ILE A 9 -6.144 -1.816 9.151 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.932 0.305 9.836 1.00 0.00 H new ATOM 0 HB ILE A 9 -6.744 1.501 7.960 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.577 -0.392 7.675 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -6.081 -1.158 7.204 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -4.563 1.602 9.090 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.914 1.629 10.248 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.977 0.135 10.009 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.009 -0.083 5.290 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.561 0.704 5.661 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -5.033 1.481 6.139 1.00 0.00 H new ATOM 144 N SER A 10 -9.808 -0.115 8.234 1.00 0.00 N ATOM 145 CA SER A 10 -10.897 -0.228 7.273 1.00 0.00 C ATOM 146 C SER A 10 -10.633 0.659 6.059 1.00 0.00 C ATOM 147 O SER A 10 -9.857 1.611 6.135 1.00 0.00 O ATOM 148 CB SER A 10 -12.225 0.161 7.924 1.00 0.00 C ATOM 149 OG SER A 10 -13.324 -0.285 7.148 1.00 0.00 O ATOM 0 H SER A 10 -10.094 0.188 9.165 1.00 0.00 H new ATOM 0 HA SER A 10 -10.956 -1.265 6.943 1.00 0.00 H new ATOM 0 HB2 SER A 10 -12.283 -0.269 8.924 1.00 0.00 H new ATOM 0 HB3 SER A 10 -12.273 1.244 8.040 1.00 0.00 H new ATOM 0 HG SER A 10 -14.161 -0.025 7.587 1.00 0.00 H new ATOM 155 N ARG A 11 -11.277 0.342 4.942 1.00 0.00 N ATOM 156 CA ARG A 11 -11.103 1.117 3.717 1.00 0.00 C ATOM 157 C ARG A 11 -11.371 2.595 3.959 1.00 0.00 C ATOM 158 O ARG A 11 -10.856 3.458 3.250 1.00 0.00 O ATOM 159 CB ARG A 11 -12.026 0.593 2.617 1.00 0.00 C ATOM 160 CG ARG A 11 -11.504 0.853 1.213 1.00 0.00 C ATOM 161 CD ARG A 11 -11.841 -0.291 0.268 1.00 0.00 C ATOM 162 NE ARG A 11 -12.791 0.119 -0.765 1.00 0.00 N ATOM 163 CZ ARG A 11 -12.928 -0.500 -1.935 1.00 0.00 C ATOM 164 NH1 ARG A 11 -12.185 -1.560 -2.225 1.00 0.00 N ATOM 165 NH2 ARG A 11 -13.812 -0.057 -2.818 1.00 0.00 N ATOM 0 H ARG A 11 -11.922 -0.443 4.858 1.00 0.00 H new ATOM 0 HA ARG A 11 -10.067 1.004 3.396 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -12.166 -0.480 2.751 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -13.006 1.058 2.724 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -11.933 1.779 0.831 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.423 0.992 1.246 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.927 -0.655 -0.202 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -12.259 -1.121 0.837 1.00 0.00 H new ATOM 0 HE ARG A 11 -13.384 0.928 -0.578 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -11.503 -1.905 -1.549 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -12.295 -2.030 -3.124 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -14.386 0.757 -2.600 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -13.918 -0.531 -3.715 1.00 0.00 H new ATOM 179 N SER A 12 -12.174 2.873 4.969 1.00 0.00 N ATOM 180 CA SER A 12 -12.519 4.244 5.321 1.00 0.00 C ATOM 181 C SER A 12 -11.342 4.949 5.987 1.00 0.00 C ATOM 182 O SER A 12 -11.216 6.172 5.913 1.00 0.00 O ATOM 183 CB SER A 12 -13.732 4.263 6.251 1.00 0.00 C ATOM 184 OG SER A 12 -13.671 3.203 7.191 1.00 0.00 O ATOM 0 H SER A 12 -12.603 2.165 5.565 1.00 0.00 H new ATOM 0 HA SER A 12 -12.765 4.777 4.403 1.00 0.00 H new ATOM 0 HB2 SER A 12 -13.776 5.217 6.776 1.00 0.00 H new ATOM 0 HB3 SER A 12 -14.646 4.180 5.663 1.00 0.00 H new ATOM 0 HG SER A 12 -14.457 3.238 7.775 1.00 0.00 H new ATOM 190 N GLU A 13 -10.482 4.174 6.643 1.00 0.00 N ATOM 191 CA GLU A 13 -9.321 4.735 7.323 1.00 0.00 C ATOM 192 C GLU A 13 -8.193 5.030 6.348 1.00 0.00 C ATOM 193 O GLU A 13 -7.673 6.134 6.322 1.00 0.00 O ATOM 194 CB GLU A 13 -8.812 3.786 8.408 1.00 0.00 C ATOM 195 CG GLU A 13 -9.919 3.097 9.190 1.00 0.00 C ATOM 196 CD GLU A 13 -9.541 2.845 10.636 1.00 0.00 C ATOM 197 OE1 GLU A 13 -8.771 3.652 11.198 1.00 0.00 O ATOM 198 OE2 GLU A 13 -10.016 1.840 11.207 1.00 0.00 O ATOM 0 H GLU A 13 -10.568 3.160 6.717 1.00 0.00 H new ATOM 0 HA GLU A 13 -9.642 5.670 7.782 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.180 3.027 7.947 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.184 4.345 9.102 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.819 3.710 9.155 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -10.161 2.148 8.711 1.00 0.00 H new ATOM 205 N ALA A 14 -7.809 4.037 5.557 1.00 0.00 N ATOM 206 CA ALA A 14 -6.727 4.206 4.595 1.00 0.00 C ATOM 207 C ALA A 14 -6.986 5.385 3.669 1.00 0.00 C ATOM 208 O ALA A 14 -6.056 6.075 3.251 1.00 0.00 O ATOM 209 CB ALA A 14 -6.534 2.934 3.788 1.00 0.00 C ATOM 0 H ALA A 14 -8.229 3.108 5.562 1.00 0.00 H new ATOM 0 HA ALA A 14 -5.814 4.414 5.153 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.723 3.076 3.074 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -6.287 2.111 4.459 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -7.453 2.701 3.251 1.00 0.00 H new ATOM 215 N VAL A 15 -8.253 5.612 3.351 1.00 0.00 N ATOM 216 CA VAL A 15 -8.624 6.714 2.473 1.00 0.00 C ATOM 217 C VAL A 15 -8.372 8.058 3.152 1.00 0.00 C ATOM 218 O VAL A 15 -7.713 8.931 2.591 1.00 0.00 O ATOM 219 CB VAL A 15 -10.102 6.625 2.044 1.00 0.00 C ATOM 220 CG1 VAL A 15 -10.473 7.787 1.134 1.00 0.00 C ATOM 221 CG2 VAL A 15 -10.380 5.298 1.358 1.00 0.00 C ATOM 0 H VAL A 15 -9.037 5.052 3.685 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.000 6.637 1.583 1.00 0.00 H new ATOM 0 HB VAL A 15 -10.720 6.685 2.940 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -11.520 7.702 0.845 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.317 8.727 1.663 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -9.847 7.765 0.242 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -11.428 5.254 1.062 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.749 5.206 0.474 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -10.162 4.480 2.045 1.00 0.00 H new ATOM 231 N ARG A 16 -8.897 8.216 4.364 1.00 0.00 N ATOM 232 CA ARG A 16 -8.722 9.457 5.116 1.00 0.00 C ATOM 233 C ARG A 16 -7.372 9.494 5.828 1.00 0.00 C ATOM 234 O ARG A 16 -6.930 10.545 6.293 1.00 0.00 O ATOM 235 CB ARG A 16 -9.854 9.627 6.132 1.00 0.00 C ATOM 236 CG ARG A 16 -10.035 11.060 6.607 1.00 0.00 C ATOM 237 CD ARG A 16 -10.762 11.905 5.572 1.00 0.00 C ATOM 238 NE ARG A 16 -9.945 13.021 5.105 1.00 0.00 N ATOM 239 CZ ARG A 16 -9.747 14.138 5.801 1.00 0.00 C ATOM 240 NH1 ARG A 16 -10.308 14.291 6.995 1.00 0.00 N ATOM 241 NH2 ARG A 16 -8.988 15.105 5.304 1.00 0.00 N ATOM 0 H ARG A 16 -9.445 7.504 4.846 1.00 0.00 H new ATOM 0 HA ARG A 16 -8.751 10.282 4.404 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.786 9.280 5.686 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -9.656 8.990 6.994 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -10.596 11.066 7.542 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -9.060 11.500 6.817 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -11.040 11.279 4.724 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -11.687 12.288 6.002 1.00 0.00 H new ATOM 0 HE ARG A 16 -9.499 12.940 4.191 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -10.893 13.551 7.382 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -10.154 15.149 7.525 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -8.555 14.993 4.387 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -8.837 15.961 5.838 1.00 0.00 H new ATOM 255 N ARG A 17 -6.721 8.341 5.905 1.00 0.00 N ATOM 256 CA ARG A 17 -5.422 8.229 6.554 1.00 0.00 C ATOM 257 C ARG A 17 -4.328 8.731 5.621 1.00 0.00 C ATOM 258 O ARG A 17 -3.493 9.549 6.005 1.00 0.00 O ATOM 259 CB ARG A 17 -5.144 6.775 6.961 1.00 0.00 C ATOM 260 CG ARG A 17 -3.796 6.579 7.633 1.00 0.00 C ATOM 261 CD ARG A 17 -3.827 5.425 8.621 1.00 0.00 C ATOM 262 NE ARG A 17 -2.930 5.649 9.752 1.00 0.00 N ATOM 263 CZ ARG A 17 -2.971 4.946 10.881 1.00 0.00 C ATOM 264 NH1 ARG A 17 -3.863 3.974 11.034 1.00 0.00 N ATOM 265 NH2 ARG A 17 -2.119 5.214 11.861 1.00 0.00 N ATOM 0 H ARG A 17 -7.075 7.464 5.523 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.431 8.843 7.455 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -5.930 6.439 7.637 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -5.194 6.142 6.075 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.035 6.390 6.876 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -3.510 7.495 8.151 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.845 5.288 8.987 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.545 4.504 8.111 1.00 0.00 H new ATOM 0 HE ARG A 17 -2.231 6.388 9.672 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -4.521 3.763 10.284 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -3.890 3.438 11.902 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.432 5.959 11.750 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -2.151 4.675 12.726 1.00 0.00 H new ATOM 279 N LEU A 18 -4.353 8.242 4.388 1.00 0.00 N ATOM 280 CA LEU A 18 -3.381 8.644 3.385 1.00 0.00 C ATOM 281 C LEU A 18 -3.599 10.093 2.973 1.00 0.00 C ATOM 282 O LEU A 18 -2.664 10.796 2.596 1.00 0.00 O ATOM 283 CB LEU A 18 -3.472 7.725 2.182 1.00 0.00 C ATOM 284 CG LEU A 18 -2.965 6.315 2.447 1.00 0.00 C ATOM 285 CD1 LEU A 18 -3.400 5.385 1.339 1.00 0.00 C ATOM 286 CD2 LEU A 18 -1.451 6.311 2.596 1.00 0.00 C ATOM 0 H LEU A 18 -5.040 7.563 4.059 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.382 8.564 3.813 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.510 7.672 1.854 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.900 8.158 1.361 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.397 5.959 3.382 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.030 4.380 1.542 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.489 5.367 1.285 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.995 5.736 0.390 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.107 5.294 2.785 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.994 6.684 1.679 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.166 6.952 3.430 1.00 0.00 H new ATOM 298 N GLN A 19 -4.848 10.525 3.062 1.00 0.00 N ATOM 299 CA GLN A 19 -5.221 11.891 2.707 1.00 0.00 C ATOM 300 C GLN A 19 -4.887 12.871 3.831 1.00 0.00 C ATOM 301 O GLN A 19 -4.767 14.073 3.596 1.00 0.00 O ATOM 302 CB GLN A 19 -6.715 11.967 2.378 1.00 0.00 C ATOM 303 CG GLN A 19 -7.000 12.228 0.908 1.00 0.00 C ATOM 304 CD GLN A 19 -7.162 13.704 0.601 1.00 0.00 C ATOM 305 OE1 GLN A 19 -7.124 14.545 1.498 1.00 0.00 O ATOM 306 NE2 GLN A 19 -7.346 14.026 -0.675 1.00 0.00 N ATOM 0 H GLN A 19 -5.627 9.947 3.379 1.00 0.00 H new ATOM 0 HA GLN A 19 -4.643 12.173 1.827 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -7.192 11.032 2.672 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -7.170 12.758 2.974 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -6.187 11.822 0.306 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -7.907 11.698 0.617 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -7.371 13.296 -1.387 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -7.462 15.003 -0.943 1.00 0.00 H new ATOM 315 N ALA A 20 -4.738 12.356 5.053 1.00 0.00 N ATOM 316 CA ALA A 20 -4.415 13.198 6.204 1.00 0.00 C ATOM 317 C ALA A 20 -3.273 14.156 5.874 1.00 0.00 C ATOM 318 O ALA A 20 -2.642 14.037 4.824 1.00 0.00 O ATOM 319 CB ALA A 20 -4.052 12.333 7.404 1.00 0.00 C ATOM 0 H ALA A 20 -4.836 11.364 5.270 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.295 13.792 6.452 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.814 12.972 8.254 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.895 11.691 7.658 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.187 11.716 7.160 1.00 0.00 H new ATOM 325 N GLU A 21 -3.000 15.106 6.768 1.00 0.00 N ATOM 326 CA GLU A 21 -1.922 16.063 6.528 1.00 0.00 C ATOM 327 C GLU A 21 -0.582 15.537 7.011 1.00 0.00 C ATOM 328 O GLU A 21 0.415 16.258 7.054 1.00 0.00 O ATOM 329 CB GLU A 21 -2.236 17.417 7.167 1.00 0.00 C ATOM 330 CG GLU A 21 -2.496 17.338 8.663 1.00 0.00 C ATOM 331 CD GLU A 21 -1.383 17.959 9.484 1.00 0.00 C ATOM 332 OE1 GLU A 21 -1.090 19.156 9.277 1.00 0.00 O ATOM 333 OE2 GLU A 21 -0.805 17.250 10.333 1.00 0.00 O ATOM 0 H GLU A 21 -3.500 15.232 7.648 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.850 16.202 5.449 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.403 18.096 6.987 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.110 17.847 6.677 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.435 17.842 8.891 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.616 16.294 8.952 1.00 0.00 H new ATOM 340 N GLY A 22 -0.575 14.265 7.328 1.00 0.00 N ATOM 341 CA GLY A 22 0.634 13.597 7.763 1.00 0.00 C ATOM 342 C GLY A 22 1.308 12.864 6.617 1.00 0.00 C ATOM 343 O GLY A 22 2.403 12.324 6.769 1.00 0.00 O ATOM 0 H GLY A 22 -1.399 13.665 7.293 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.324 14.329 8.184 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.395 12.890 8.558 1.00 0.00 H new ATOM 347 N ASN A 23 0.627 12.829 5.472 1.00 0.00 N ATOM 348 CA ASN A 23 1.129 12.141 4.290 1.00 0.00 C ATOM 349 C ASN A 23 1.538 13.121 3.201 1.00 0.00 C ATOM 350 O ASN A 23 0.735 13.941 2.755 1.00 0.00 O ATOM 351 CB ASN A 23 0.055 11.193 3.766 1.00 0.00 C ATOM 352 CG ASN A 23 -0.432 10.242 4.840 1.00 0.00 C ATOM 353 OD1 ASN A 23 -0.635 10.636 5.989 1.00 0.00 O ATOM 354 ND2 ASN A 23 -0.623 8.983 4.475 1.00 0.00 N ATOM 0 H ASN A 23 -0.281 13.274 5.341 1.00 0.00 H new ATOM 0 HA ASN A 23 2.018 11.577 4.573 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -0.786 11.772 3.385 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.453 10.621 2.928 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.950 8.298 5.157 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -0.443 8.698 3.512 1.00 0.00 H new ATOM 361 N ALA A 24 2.789 13.020 2.771 1.00 0.00 N ATOM 362 CA ALA A 24 3.306 13.888 1.726 1.00 0.00 C ATOM 363 C ALA A 24 3.509 13.108 0.435 1.00 0.00 C ATOM 364 O ALA A 24 4.628 12.982 -0.061 1.00 0.00 O ATOM 365 CB ALA A 24 4.604 14.541 2.168 1.00 0.00 C ATOM 0 H ALA A 24 3.463 12.345 3.131 1.00 0.00 H new ATOM 0 HA ALA A 24 2.575 14.674 1.539 1.00 0.00 H new ATOM 0 HB1 ALA A 24 4.976 15.187 1.373 1.00 0.00 H new ATOM 0 HB2 ALA A 24 4.426 15.135 3.064 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.344 13.770 2.385 1.00 0.00 H new ATOM 371 N THR A 25 2.408 12.589 -0.093 1.00 0.00 N ATOM 372 CA THR A 25 2.415 11.807 -1.324 1.00 0.00 C ATOM 373 C THR A 25 3.343 10.604 -1.211 1.00 0.00 C ATOM 374 O THR A 25 4.420 10.682 -0.620 1.00 0.00 O ATOM 375 CB THR A 25 2.798 12.678 -2.522 1.00 0.00 C ATOM 376 OG1 THR A 25 4.115 13.183 -2.389 1.00 0.00 O ATOM 377 CG2 THR A 25 1.867 13.856 -2.711 1.00 0.00 C ATOM 0 H THR A 25 1.482 12.698 0.321 1.00 0.00 H new ATOM 0 HA THR A 25 1.404 11.433 -1.484 1.00 0.00 H new ATOM 0 HB THR A 25 2.724 12.024 -3.391 1.00 0.00 H new ATOM 0 HG1 THR A 25 4.586 12.687 -1.688 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.187 14.438 -3.575 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.851 13.495 -2.873 1.00 0.00 H new ATOM 0 HG23 THR A 25 1.891 14.485 -1.821 1.00 0.00 H new ATOM 385 N GLY A 26 2.898 9.477 -1.758 1.00 0.00 N ATOM 386 CA GLY A 26 3.676 8.257 -1.684 1.00 0.00 C ATOM 387 C GLY A 26 3.458 7.540 -0.375 1.00 0.00 C ATOM 388 O GLY A 26 3.754 6.351 -0.256 1.00 0.00 O ATOM 0 H GLY A 26 2.010 9.388 -2.252 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.403 7.600 -2.510 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.734 8.492 -1.800 1.00 0.00 H new ATOM 392 N ALA A 27 2.908 8.254 0.608 1.00 0.00 N ATOM 393 CA ALA A 27 2.622 7.660 1.896 1.00 0.00 C ATOM 394 C ALA A 27 1.849 6.370 1.667 1.00 0.00 C ATOM 395 O ALA A 27 0.785 6.383 1.055 1.00 0.00 O ATOM 396 CB ALA A 27 1.832 8.631 2.757 1.00 0.00 C ATOM 0 H ALA A 27 2.656 9.239 0.529 1.00 0.00 H new ATOM 0 HA ALA A 27 3.548 7.435 2.425 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.623 8.173 3.724 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.413 9.541 2.905 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.893 8.876 2.261 1.00 0.00 H new ATOM 402 N PHE A 28 2.413 5.259 2.099 1.00 0.00 N ATOM 403 CA PHE A 28 1.795 3.962 1.873 1.00 0.00 C ATOM 404 C PHE A 28 1.490 3.236 3.172 1.00 0.00 C ATOM 405 O PHE A 28 2.011 3.570 4.237 1.00 0.00 O ATOM 406 CB PHE A 28 2.725 3.116 1.001 1.00 0.00 C ATOM 407 CG PHE A 28 4.185 3.160 1.400 1.00 0.00 C ATOM 408 CD1 PHE A 28 4.578 3.545 2.670 1.00 0.00 C ATOM 409 CD2 PHE A 28 5.163 2.808 0.493 1.00 0.00 C ATOM 410 CE1 PHE A 28 5.914 3.578 3.024 1.00 0.00 C ATOM 411 CE2 PHE A 28 6.502 2.838 0.837 1.00 0.00 C ATOM 412 CZ PHE A 28 6.877 3.222 2.106 1.00 0.00 C ATOM 0 H PHE A 28 3.296 5.226 2.608 1.00 0.00 H new ATOM 0 HA PHE A 28 0.842 4.121 1.368 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.386 2.081 1.031 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.635 3.451 -0.032 1.00 0.00 H new ATOM 0 HD1 PHE A 28 3.829 3.824 3.396 1.00 0.00 H new ATOM 0 HD2 PHE A 28 4.878 2.504 -0.503 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.202 3.883 4.019 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.253 2.561 0.112 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.922 3.244 2.380 1.00 0.00 H new ATOM 422 N LEU A 29 0.638 2.237 3.061 1.00 0.00 N ATOM 423 CA LEU A 29 0.239 1.430 4.195 1.00 0.00 C ATOM 424 C LEU A 29 -0.239 0.067 3.724 1.00 0.00 C ATOM 425 O LEU A 29 -0.956 -0.049 2.734 1.00 0.00 O ATOM 426 CB LEU A 29 -0.837 2.129 5.027 1.00 0.00 C ATOM 427 CG LEU A 29 -2.104 2.611 4.287 1.00 0.00 C ATOM 428 CD1 LEU A 29 -1.910 2.704 2.789 1.00 0.00 C ATOM 429 CD2 LEU A 29 -3.269 1.695 4.606 1.00 0.00 C ATOM 0 H LEU A 29 0.203 1.962 2.181 1.00 0.00 H new ATOM 0 HA LEU A 29 1.108 1.293 4.838 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.148 1.447 5.818 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.381 2.992 5.512 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.316 3.620 4.641 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.834 3.048 2.323 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.108 3.409 2.569 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.648 1.722 2.394 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.159 2.042 4.080 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.032 0.680 4.287 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.455 1.704 5.680 1.00 0.00 H new ATOM 441 N ILE A 30 0.165 -0.966 4.433 1.00 0.00 N ATOM 442 CA ILE A 30 -0.217 -2.318 4.067 1.00 0.00 C ATOM 443 C ILE A 30 -1.273 -2.853 5.016 1.00 0.00 C ATOM 444 O ILE A 30 -1.036 -2.966 6.209 1.00 0.00 O ATOM 445 CB ILE A 30 0.996 -3.260 4.069 1.00 0.00 C ATOM 446 CG1 ILE A 30 2.206 -2.602 3.377 1.00 0.00 C ATOM 447 CG2 ILE A 30 0.625 -4.582 3.421 1.00 0.00 C ATOM 448 CD1 ILE A 30 2.230 -2.742 1.869 1.00 0.00 C ATOM 0 H ILE A 30 0.755 -0.899 5.262 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.627 -2.278 3.058 1.00 0.00 H new ATOM 0 HB ILE A 30 1.289 -3.459 5.100 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.219 -1.542 3.629 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.119 -3.037 3.783 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.490 -5.245 3.426 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.190 -5.044 3.978 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.308 -4.407 2.393 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.117 -2.248 1.472 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.253 -3.799 1.602 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.338 -2.280 1.446 1.00 0.00 H new ATOM 460 N ARG A 31 -2.442 -3.169 4.486 1.00 0.00 N ATOM 461 CA ARG A 31 -3.532 -3.670 5.309 1.00 0.00 C ATOM 462 C ARG A 31 -3.916 -5.087 4.908 1.00 0.00 C ATOM 463 O ARG A 31 -3.214 -5.735 4.131 1.00 0.00 O ATOM 464 CB ARG A 31 -4.748 -2.753 5.164 1.00 0.00 C ATOM 465 CG ARG A 31 -5.396 -2.842 3.794 1.00 0.00 C ATOM 466 CD ARG A 31 -6.233 -1.617 3.468 1.00 0.00 C ATOM 467 NE ARG A 31 -7.665 -1.895 3.551 1.00 0.00 N ATOM 468 CZ ARG A 31 -8.568 -1.415 2.698 1.00 0.00 C ATOM 469 NH1 ARG A 31 -8.203 -0.613 1.704 1.00 0.00 N ATOM 470 NH2 ARG A 31 -9.847 -1.731 2.845 1.00 0.00 N ATOM 0 H ARG A 31 -2.662 -3.088 3.493 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.198 -3.684 6.346 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.484 -3.011 5.926 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.444 -1.723 5.350 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.622 -2.962 3.036 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -6.025 -3.731 3.750 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -5.980 -0.811 4.157 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -5.989 -1.268 2.465 1.00 0.00 H new ATOM 0 HE ARG A 31 -7.993 -2.494 4.309 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -7.222 -0.359 1.588 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -8.904 -0.252 1.057 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -10.137 -2.340 3.610 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -10.541 -1.365 2.193 1.00 0.00 H new ATOM 484 N VAL A 32 -5.041 -5.559 5.433 1.00 0.00 N ATOM 485 CA VAL A 32 -5.516 -6.898 5.109 1.00 0.00 C ATOM 486 C VAL A 32 -6.522 -6.864 3.965 1.00 0.00 C ATOM 487 O VAL A 32 -7.239 -5.881 3.780 1.00 0.00 O ATOM 488 CB VAL A 32 -6.164 -7.589 6.323 1.00 0.00 C ATOM 489 CG1 VAL A 32 -5.143 -7.809 7.427 1.00 0.00 C ATOM 490 CG2 VAL A 32 -7.349 -6.778 6.829 1.00 0.00 C ATOM 0 H VAL A 32 -5.636 -5.040 6.079 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.639 -7.470 4.807 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.531 -8.566 6.007 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -5.623 -8.298 8.274 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.335 -8.438 7.055 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.738 -6.848 7.745 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -7.795 -7.281 7.687 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -7.010 -5.785 7.126 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.092 -6.686 6.037 1.00 0.00 H new ATOM 500 N SER A 33 -6.565 -7.950 3.200 1.00 0.00 N ATOM 501 CA SER A 33 -7.478 -8.054 2.070 1.00 0.00 C ATOM 502 C SER A 33 -8.924 -8.168 2.538 1.00 0.00 C ATOM 503 O SER A 33 -9.463 -9.270 2.646 1.00 0.00 O ATOM 504 CB SER A 33 -7.115 -9.264 1.209 1.00 0.00 C ATOM 505 OG SER A 33 -6.458 -10.257 1.976 1.00 0.00 O ATOM 0 H SER A 33 -5.977 -8.771 3.343 1.00 0.00 H new ATOM 0 HA SER A 33 -7.381 -7.145 1.476 1.00 0.00 H new ATOM 0 HB2 SER A 33 -8.018 -9.682 0.764 1.00 0.00 H new ATOM 0 HB3 SER A 33 -6.471 -8.950 0.387 1.00 0.00 H new ATOM 0 HG SER A 33 -7.051 -10.560 2.695 1.00 0.00 H new ATOM 511 N GLU A 34 -9.554 -7.028 2.803 1.00 0.00 N ATOM 512 CA GLU A 34 -10.944 -7.018 3.244 1.00 0.00 C ATOM 513 C GLU A 34 -11.858 -7.571 2.154 1.00 0.00 C ATOM 514 O GLU A 34 -12.995 -7.962 2.417 1.00 0.00 O ATOM 515 CB GLU A 34 -11.375 -5.601 3.634 1.00 0.00 C ATOM 516 CG GLU A 34 -11.408 -4.631 2.467 1.00 0.00 C ATOM 517 CD GLU A 34 -12.701 -3.840 2.403 1.00 0.00 C ATOM 518 OE1 GLU A 34 -13.774 -4.467 2.280 1.00 0.00 O ATOM 519 OE2 GLU A 34 -12.640 -2.596 2.478 1.00 0.00 O ATOM 0 H GLU A 34 -9.128 -6.105 2.721 1.00 0.00 H new ATOM 0 HA GLU A 34 -11.028 -7.659 4.122 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -12.365 -5.644 4.088 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.693 -5.219 4.393 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -10.568 -3.941 2.549 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -11.278 -5.183 1.536 1.00 0.00 H new ATOM 526 N LYS A 35 -11.340 -7.614 0.932 1.00 0.00 N ATOM 527 CA LYS A 35 -12.090 -8.134 -0.209 1.00 0.00 C ATOM 528 C LYS A 35 -11.470 -9.440 -0.716 1.00 0.00 C ATOM 529 O LYS A 35 -12.147 -10.465 -0.786 1.00 0.00 O ATOM 530 CB LYS A 35 -12.174 -7.113 -1.362 1.00 0.00 C ATOM 531 CG LYS A 35 -11.445 -5.796 -1.117 1.00 0.00 C ATOM 532 CD LYS A 35 -12.382 -4.728 -0.584 1.00 0.00 C ATOM 533 CE LYS A 35 -13.471 -4.384 -1.588 1.00 0.00 C ATOM 534 NZ LYS A 35 -12.936 -4.262 -2.972 1.00 0.00 N ATOM 0 H LYS A 35 -10.399 -7.294 0.704 1.00 0.00 H new ATOM 0 HA LYS A 35 -13.104 -8.328 0.140 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -11.768 -7.572 -2.263 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -13.224 -6.897 -1.559 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.633 -5.956 -0.407 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -10.992 -5.452 -2.047 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -12.838 -5.074 0.344 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.812 -3.831 -0.344 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -14.242 -5.154 -1.564 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -13.947 -3.447 -1.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -13.538 -3.616 -3.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -11.967 -3.887 -2.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -12.929 -5.198 -3.425 1.00 0.00 H new ATOM 548 N PRO A 36 -10.168 -9.427 -1.076 1.00 0.00 N ATOM 549 CA PRO A 36 -9.477 -10.624 -1.572 1.00 0.00 C ATOM 550 C PRO A 36 -9.527 -11.776 -0.573 1.00 0.00 C ATOM 551 O PRO A 36 -10.165 -11.675 0.475 1.00 0.00 O ATOM 552 CB PRO A 36 -8.031 -10.153 -1.773 1.00 0.00 C ATOM 553 CG PRO A 36 -8.124 -8.675 -1.900 1.00 0.00 C ATOM 554 CD PRO A 36 -9.270 -8.260 -1.030 1.00 0.00 C ATOM 0 HA PRO A 36 -9.940 -11.011 -2.480 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -7.402 -10.438 -0.930 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -7.591 -10.599 -2.665 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -7.198 -8.196 -1.581 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -8.294 -8.382 -2.936 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -8.945 -8.042 -0.013 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -9.758 -7.362 -1.408 1.00 0.00 H new ATOM 562 N SER A 37 -8.848 -12.870 -0.906 1.00 0.00 N ATOM 563 CA SER A 37 -8.814 -14.043 -0.037 1.00 0.00 C ATOM 564 C SER A 37 -7.376 -14.422 0.306 1.00 0.00 C ATOM 565 O SER A 37 -6.596 -14.792 -0.571 1.00 0.00 O ATOM 566 CB SER A 37 -9.516 -15.223 -0.711 1.00 0.00 C ATOM 567 OG SER A 37 -8.694 -15.806 -1.707 1.00 0.00 O ATOM 0 H SER A 37 -8.315 -12.969 -1.770 1.00 0.00 H new ATOM 0 HA SER A 37 -9.338 -13.796 0.887 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.773 -15.973 0.037 1.00 0.00 H new ATOM 0 HB3 SER A 37 -10.451 -14.886 -1.159 1.00 0.00 H new ATOM 0 HG SER A 37 -7.752 -15.701 -1.457 1.00 0.00 H new ATOM 573 N ALA A 38 -7.032 -14.325 1.586 1.00 0.00 N ATOM 574 CA ALA A 38 -5.687 -14.656 2.043 1.00 0.00 C ATOM 575 C ALA A 38 -4.643 -13.805 1.328 1.00 0.00 C ATOM 576 O ALA A 38 -3.699 -14.327 0.735 1.00 0.00 O ATOM 577 CB ALA A 38 -5.406 -16.136 1.826 1.00 0.00 C ATOM 0 H ALA A 38 -7.666 -14.020 2.325 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.626 -14.440 3.110 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.399 -16.370 2.171 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.128 -16.729 2.386 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.489 -16.370 0.765 1.00 0.00 H new ATOM 583 N ASP A 39 -4.824 -12.489 1.383 1.00 0.00 N ATOM 584 CA ASP A 39 -3.901 -11.563 0.736 1.00 0.00 C ATOM 585 C ASP A 39 -3.728 -10.295 1.569 1.00 0.00 C ATOM 586 O ASP A 39 -4.102 -10.255 2.740 1.00 0.00 O ATOM 587 CB ASP A 39 -4.407 -11.208 -0.664 1.00 0.00 C ATOM 588 CG ASP A 39 -4.860 -12.427 -1.444 1.00 0.00 C ATOM 589 OD1 ASP A 39 -3.990 -13.215 -1.873 1.00 0.00 O ATOM 590 OD2 ASP A 39 -6.084 -12.595 -1.626 1.00 0.00 O ATOM 0 H ASP A 39 -5.601 -12.040 1.869 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.930 -12.051 0.651 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.236 -10.506 -0.580 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.615 -10.701 -1.216 1.00 0.00 H new ATOM 595 N TYR A 40 -3.170 -9.258 0.948 1.00 0.00 N ATOM 596 CA TYR A 40 -2.950 -7.977 1.609 1.00 0.00 C ATOM 597 C TYR A 40 -3.191 -6.884 0.606 1.00 0.00 C ATOM 598 O TYR A 40 -2.901 -7.050 -0.566 1.00 0.00 O ATOM 599 CB TYR A 40 -1.513 -7.879 2.161 1.00 0.00 C ATOM 600 CG TYR A 40 -1.411 -7.909 3.676 1.00 0.00 C ATOM 601 CD1 TYR A 40 -2.441 -8.409 4.468 1.00 0.00 C ATOM 602 CD2 TYR A 40 -0.270 -7.440 4.314 1.00 0.00 C ATOM 603 CE1 TYR A 40 -2.332 -8.438 5.846 1.00 0.00 C ATOM 604 CE2 TYR A 40 -0.156 -7.465 5.691 1.00 0.00 C ATOM 605 CZ TYR A 40 -1.189 -7.965 6.451 1.00 0.00 C ATOM 606 OH TYR A 40 -1.078 -7.993 7.823 1.00 0.00 O ATOM 0 H TYR A 40 -2.859 -9.283 -0.023 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.635 -7.880 2.451 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.925 -8.702 1.755 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.061 -6.956 1.798 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -3.340 -8.780 3.998 1.00 0.00 H new ATOM 0 HD2 TYR A 40 0.544 -7.048 3.722 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -3.140 -8.830 6.446 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.739 -7.094 6.168 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.210 -7.624 8.089 1.00 0.00 H new ATOM 616 N VAL A 41 -3.726 -5.774 1.061 1.00 0.00 N ATOM 617 CA VAL A 41 -3.994 -4.666 0.163 1.00 0.00 C ATOM 618 C VAL A 41 -3.187 -3.452 0.567 1.00 0.00 C ATOM 619 O VAL A 41 -3.071 -3.130 1.748 1.00 0.00 O ATOM 620 CB VAL A 41 -5.492 -4.319 0.100 1.00 0.00 C ATOM 621 CG1 VAL A 41 -6.179 -5.206 -0.928 1.00 0.00 C ATOM 622 CG2 VAL A 41 -6.146 -4.482 1.465 1.00 0.00 C ATOM 0 H VAL A 41 -3.983 -5.612 2.035 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.692 -4.979 -0.837 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.597 -3.276 -0.199 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.240 -4.959 -0.971 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.729 -5.044 -1.907 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.061 -6.251 -0.643 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.204 -4.231 1.394 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.040 -5.514 1.798 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.663 -3.818 2.182 1.00 0.00 H new ATOM 632 N LEU A 42 -2.605 -2.795 -0.418 1.00 0.00 N ATOM 633 CA LEU A 42 -1.788 -1.633 -0.161 1.00 0.00 C ATOM 634 C LEU A 42 -2.472 -0.383 -0.635 1.00 0.00 C ATOM 635 O LEU A 42 -3.203 -0.397 -1.613 1.00 0.00 O ATOM 636 CB LEU A 42 -0.449 -1.754 -0.866 1.00 0.00 C ATOM 637 CG LEU A 42 0.474 -0.555 -0.680 1.00 0.00 C ATOM 638 CD1 LEU A 42 0.773 -0.352 0.793 1.00 0.00 C ATOM 639 CD2 LEU A 42 1.750 -0.770 -1.464 1.00 0.00 C ATOM 0 H LEU A 42 -2.685 -3.049 -1.403 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.631 -1.574 0.916 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.059 -2.647 -0.503 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.626 -1.899 -1.932 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.018 0.343 -1.054 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.433 0.507 0.915 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.158 -0.174 1.332 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.259 -1.243 1.192 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.408 0.088 -1.330 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.250 -1.670 -1.106 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.512 -0.883 -2.522 1.00 0.00 H new ATOM 651 N SER A 43 -2.214 0.704 0.048 1.00 0.00 N ATOM 652 CA SER A 43 -2.797 1.964 -0.333 1.00 0.00 C ATOM 653 C SER A 43 -1.798 3.081 -0.210 1.00 0.00 C ATOM 654 O SER A 43 -0.789 2.965 0.481 1.00 0.00 O ATOM 655 CB SER A 43 -4.055 2.232 0.461 1.00 0.00 C ATOM 656 OG SER A 43 -4.127 1.410 1.614 1.00 0.00 O ATOM 0 H SER A 43 -1.607 0.741 0.867 1.00 0.00 H new ATOM 0 HA SER A 43 -3.083 1.910 -1.383 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.083 3.280 0.758 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.928 2.056 -0.168 1.00 0.00 H new ATOM 0 HG SER A 43 -4.591 0.575 1.392 1.00 0.00 H new ATOM 662 N VAL A 44 -2.063 4.151 -0.928 1.00 0.00 N ATOM 663 CA VAL A 44 -1.153 5.285 -0.924 1.00 0.00 C ATOM 664 C VAL A 44 -1.852 6.588 -1.280 1.00 0.00 C ATOM 665 O VAL A 44 -2.707 6.625 -2.165 1.00 0.00 O ATOM 666 CB VAL A 44 -0.001 5.051 -1.922 1.00 0.00 C ATOM 667 CG1 VAL A 44 -0.524 5.073 -3.352 1.00 0.00 C ATOM 668 CG2 VAL A 44 1.101 6.084 -1.736 1.00 0.00 C ATOM 0 H VAL A 44 -2.889 4.263 -1.516 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.765 5.371 0.091 1.00 0.00 H new ATOM 0 HB VAL A 44 0.425 4.068 -1.725 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.302 4.906 -4.044 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.268 4.287 -3.479 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.980 6.041 -3.558 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.901 5.896 -2.452 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.695 7.082 -1.899 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.497 6.015 -0.723 1.00 0.00 H new ATOM 678 N ARG A 45 -1.449 7.669 -0.617 1.00 0.00 N ATOM 679 CA ARG A 45 -2.010 8.980 -0.908 1.00 0.00 C ATOM 680 C ARG A 45 -1.684 9.356 -2.344 1.00 0.00 C ATOM 681 O ARG A 45 -2.274 10.271 -2.917 1.00 0.00 O ATOM 682 CB ARG A 45 -1.445 10.039 0.042 1.00 0.00 C ATOM 683 CG ARG A 45 -2.093 11.406 -0.115 1.00 0.00 C ATOM 684 CD ARG A 45 -1.110 12.526 0.184 1.00 0.00 C ATOM 685 NE ARG A 45 -1.635 13.834 -0.201 1.00 0.00 N ATOM 686 CZ ARG A 45 -2.593 14.474 0.463 1.00 0.00 C ATOM 687 NH1 ARG A 45 -3.135 13.933 1.547 1.00 0.00 N ATOM 688 NH2 ARG A 45 -3.012 15.661 0.044 1.00 0.00 N ATOM 0 H ARG A 45 -0.742 7.661 0.118 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.090 8.937 -0.769 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -1.576 9.700 1.070 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.373 10.133 -0.129 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.473 11.515 -1.131 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -2.949 11.483 0.555 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.876 12.528 1.249 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.176 12.340 -0.347 1.00 0.00 H new ATOM 0 HE ARG A 45 -1.243 14.283 -1.029 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -2.817 13.021 1.875 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -3.869 14.429 2.052 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -2.599 16.083 -0.788 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -3.747 16.152 0.554 1.00 0.00 H new ATOM 702 N ASP A 46 -0.729 8.631 -2.916 1.00 0.00 N ATOM 703 CA ASP A 46 -0.303 8.873 -4.291 1.00 0.00 C ATOM 704 C ASP A 46 0.257 10.286 -4.452 1.00 0.00 C ATOM 705 O ASP A 46 1.442 10.521 -4.225 1.00 0.00 O ATOM 706 CB ASP A 46 -1.464 8.623 -5.265 1.00 0.00 C ATOM 707 CG ASP A 46 -1.202 7.455 -6.192 1.00 0.00 C ATOM 708 OD1 ASP A 46 -1.072 6.317 -5.695 1.00 0.00 O ATOM 709 OD2 ASP A 46 -1.126 7.679 -7.418 1.00 0.00 O ATOM 0 H ASP A 46 -0.235 7.871 -2.449 1.00 0.00 H new ATOM 0 HA ASP A 46 0.498 8.173 -4.529 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.376 8.435 -4.698 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -1.637 9.521 -5.858 1.00 0.00 H new ATOM 714 N THR A 47 -0.596 11.217 -4.850 1.00 0.00 N ATOM 715 CA THR A 47 -0.185 12.605 -5.048 1.00 0.00 C ATOM 716 C THR A 47 -1.176 13.586 -4.419 1.00 0.00 C ATOM 717 O THR A 47 -0.939 14.793 -4.405 1.00 0.00 O ATOM 718 CB THR A 47 -0.042 12.908 -6.542 1.00 0.00 C ATOM 719 OG1 THR A 47 -0.001 14.305 -6.771 1.00 0.00 O ATOM 720 CG2 THR A 47 -1.166 12.337 -7.381 1.00 0.00 C ATOM 0 H THR A 47 -1.581 11.039 -5.044 1.00 0.00 H new ATOM 0 HA THR A 47 0.778 12.733 -4.554 1.00 0.00 H new ATOM 0 HB THR A 47 0.891 12.432 -6.843 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.035 14.776 -5.913 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.002 12.589 -8.429 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.190 11.253 -7.268 1.00 0.00 H new ATOM 0 HG23 THR A 47 -2.116 12.758 -7.051 1.00 0.00 H new ATOM 728 N GLN A 48 -2.285 13.064 -3.900 1.00 0.00 N ATOM 729 CA GLN A 48 -3.307 13.898 -3.271 1.00 0.00 C ATOM 730 C GLN A 48 -4.526 13.067 -2.903 1.00 0.00 C ATOM 731 O GLN A 48 -5.166 13.290 -1.877 1.00 0.00 O ATOM 732 CB GLN A 48 -3.716 15.046 -4.199 1.00 0.00 C ATOM 733 CG GLN A 48 -3.178 16.400 -3.766 1.00 0.00 C ATOM 734 CD GLN A 48 -4.143 17.531 -4.061 1.00 0.00 C ATOM 735 OE1 GLN A 48 -4.993 17.869 -3.237 1.00 0.00 O ATOM 736 NE2 GLN A 48 -4.016 18.126 -5.242 1.00 0.00 N ATOM 0 H GLN A 48 -2.499 12.067 -3.903 1.00 0.00 H new ATOM 0 HA GLN A 48 -2.883 14.320 -2.360 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.363 14.830 -5.208 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -4.804 15.095 -4.245 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.966 16.378 -2.697 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -2.233 16.591 -4.275 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -3.298 17.814 -5.896 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -4.637 18.895 -5.495 1.00 0.00 H new ATOM 745 N ALA A 49 -4.823 12.103 -3.751 1.00 0.00 N ATOM 746 CA ALA A 49 -5.953 11.208 -3.543 1.00 0.00 C ATOM 747 C ALA A 49 -5.464 9.798 -3.241 1.00 0.00 C ATOM 748 O ALA A 49 -4.440 9.365 -3.771 1.00 0.00 O ATOM 749 CB ALA A 49 -6.862 11.208 -4.762 1.00 0.00 C ATOM 0 H ALA A 49 -4.293 11.915 -4.602 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.526 11.565 -2.687 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.701 10.534 -4.590 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.236 12.217 -4.937 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.301 10.873 -5.634 1.00 0.00 H new ATOM 755 N VAL A 50 -6.186 9.086 -2.386 1.00 0.00 N ATOM 756 CA VAL A 50 -5.797 7.731 -2.024 1.00 0.00 C ATOM 757 C VAL A 50 -5.989 6.766 -3.183 1.00 0.00 C ATOM 758 O VAL A 50 -6.903 6.911 -3.995 1.00 0.00 O ATOM 759 CB VAL A 50 -6.576 7.210 -0.800 1.00 0.00 C ATOM 760 CG1 VAL A 50 -6.198 5.762 -0.501 1.00 0.00 C ATOM 761 CG2 VAL A 50 -6.307 8.093 0.404 1.00 0.00 C ATOM 0 H VAL A 50 -7.037 9.421 -1.934 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.739 7.780 -1.768 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.642 7.243 -1.024 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.758 5.411 0.366 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.436 5.138 -1.363 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.130 5.700 -0.292 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.862 7.716 1.263 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.241 8.086 0.630 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.625 9.113 0.186 1.00 0.00 H new ATOM 771 N ARG A 51 -5.116 5.772 -3.234 1.00 0.00 N ATOM 772 CA ARG A 51 -5.161 4.753 -4.266 1.00 0.00 C ATOM 773 C ARG A 51 -4.832 3.401 -3.652 1.00 0.00 C ATOM 774 O ARG A 51 -3.682 3.123 -3.317 1.00 0.00 O ATOM 775 CB ARG A 51 -4.176 5.091 -5.383 1.00 0.00 C ATOM 776 CG ARG A 51 -4.399 6.471 -5.978 1.00 0.00 C ATOM 777 CD ARG A 51 -3.811 6.578 -7.373 1.00 0.00 C ATOM 778 NE ARG A 51 -4.835 6.468 -8.408 1.00 0.00 N ATOM 779 CZ ARG A 51 -4.670 6.885 -9.662 1.00 0.00 C ATOM 780 NH1 ARG A 51 -3.525 7.436 -10.040 1.00 0.00 N ATOM 781 NH2 ARG A 51 -5.655 6.750 -10.539 1.00 0.00 N ATOM 0 H ARG A 51 -4.359 5.651 -2.562 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.162 4.714 -4.696 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.160 5.030 -4.994 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.261 4.344 -6.172 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.467 6.684 -6.015 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.946 7.224 -5.333 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.293 7.531 -7.476 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -3.067 5.794 -7.514 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.729 6.047 -8.156 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -2.764 7.543 -9.369 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -3.405 7.753 -11.002 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -6.538 6.327 -10.253 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -5.530 7.069 -11.500 1.00 0.00 H new ATOM 795 N HIS A 52 -5.855 2.579 -3.475 1.00 0.00 N ATOM 796 CA HIS A 52 -5.681 1.270 -2.864 1.00 0.00 C ATOM 797 C HIS A 52 -5.254 0.231 -3.888 1.00 0.00 C ATOM 798 O HIS A 52 -5.351 0.455 -5.095 1.00 0.00 O ATOM 799 CB HIS A 52 -6.980 0.854 -2.179 1.00 0.00 C ATOM 800 CG HIS A 52 -7.443 1.900 -1.228 1.00 0.00 C ATOM 801 ND1 HIS A 52 -6.932 2.012 0.037 1.00 0.00 N ATOM 802 CD2 HIS A 52 -8.267 2.957 -1.401 1.00 0.00 C ATOM 803 CE1 HIS A 52 -7.398 3.101 0.602 1.00 0.00 C ATOM 804 NE2 HIS A 52 -8.219 3.696 -0.245 1.00 0.00 N ATOM 0 H HIS A 52 -6.814 2.795 -3.746 1.00 0.00 H new ATOM 0 HA HIS A 52 -4.886 1.335 -2.121 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -7.749 0.675 -2.930 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -6.829 -0.085 -1.646 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -6.289 1.351 0.473 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -8.852 3.178 -2.281 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -7.152 3.452 1.593 1.00 0.00 H new ATOM 813 N TYR A 53 -4.749 -0.894 -3.398 1.00 0.00 N ATOM 814 CA TYR A 53 -4.265 -1.953 -4.266 1.00 0.00 C ATOM 815 C TYR A 53 -4.397 -3.328 -3.616 1.00 0.00 C ATOM 816 O TYR A 53 -4.419 -3.455 -2.393 1.00 0.00 O ATOM 817 CB TYR A 53 -2.797 -1.699 -4.604 1.00 0.00 C ATOM 818 CG TYR A 53 -2.459 -0.241 -4.836 1.00 0.00 C ATOM 819 CD1 TYR A 53 -2.821 0.386 -6.018 1.00 0.00 C ATOM 820 CD2 TYR A 53 -1.765 0.500 -3.884 1.00 0.00 C ATOM 821 CE1 TYR A 53 -2.507 1.709 -6.252 1.00 0.00 C ATOM 822 CE2 TYR A 53 -1.442 1.824 -4.113 1.00 0.00 C ATOM 823 CZ TYR A 53 -1.815 2.424 -5.299 1.00 0.00 C ATOM 824 OH TYR A 53 -1.490 3.740 -5.535 1.00 0.00 O ATOM 0 H TYR A 53 -4.665 -1.094 -2.401 1.00 0.00 H new ATOM 0 HA TYR A 53 -4.875 -1.947 -5.170 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.177 -2.080 -3.792 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.537 -2.268 -5.497 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -3.359 -0.172 -6.770 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.475 0.034 -2.954 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -2.802 2.182 -7.177 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -0.900 2.387 -3.367 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.049 4.090 -6.260 1.00 0.00 H new ATOM 834 N LYS A 54 -4.455 -4.354 -4.458 1.00 0.00 N ATOM 835 CA LYS A 54 -4.553 -5.732 -4.000 1.00 0.00 C ATOM 836 C LYS A 54 -3.195 -6.410 -4.101 1.00 0.00 C ATOM 837 O LYS A 54 -2.670 -6.597 -5.197 1.00 0.00 O ATOM 838 CB LYS A 54 -5.572 -6.506 -4.835 1.00 0.00 C ATOM 839 CG LYS A 54 -5.951 -7.850 -4.238 1.00 0.00 C ATOM 840 CD LYS A 54 -7.036 -8.536 -5.053 1.00 0.00 C ATOM 841 CE LYS A 54 -6.589 -8.773 -6.486 1.00 0.00 C ATOM 842 NZ LYS A 54 -7.571 -9.595 -7.246 1.00 0.00 N ATOM 0 H LYS A 54 -4.435 -4.253 -5.473 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.881 -5.726 -2.961 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.472 -5.901 -4.948 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.166 -6.663 -5.834 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.070 -8.490 -4.192 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.297 -7.710 -3.214 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.294 -9.488 -4.589 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.938 -7.924 -5.048 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.453 -7.815 -6.987 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.620 -9.273 -6.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.445 -9.432 -8.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.418 -10.602 -7.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.537 -9.326 -6.969 1.00 0.00 H new ATOM 856 N ILE A 55 -2.642 -6.795 -2.961 1.00 0.00 N ATOM 857 CA ILE A 55 -1.356 -7.469 -2.921 1.00 0.00 C ATOM 858 C ILE A 55 -1.597 -8.968 -2.820 1.00 0.00 C ATOM 859 O ILE A 55 -1.861 -9.495 -1.740 1.00 0.00 O ATOM 860 CB ILE A 55 -0.496 -7.000 -1.722 1.00 0.00 C ATOM 861 CG1 ILE A 55 -0.803 -5.543 -1.332 1.00 0.00 C ATOM 862 CG2 ILE A 55 0.986 -7.156 -2.026 1.00 0.00 C ATOM 863 CD1 ILE A 55 -0.521 -5.250 0.125 1.00 0.00 C ATOM 0 H ILE A 55 -3.068 -6.650 -2.046 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.809 -7.225 -3.832 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.754 -7.636 -0.875 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.209 -4.873 -1.953 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.850 -5.329 -1.544 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.570 -6.820 -1.169 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.208 -8.204 -2.228 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.244 -6.556 -2.899 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.757 -4.208 0.339 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.135 -5.897 0.752 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.532 -5.434 0.336 1.00 0.00 H new ATOM 875 N TRP A 56 -1.544 -9.641 -3.960 1.00 0.00 N ATOM 876 CA TRP A 56 -1.800 -11.073 -4.020 1.00 0.00 C ATOM 877 C TRP A 56 -0.549 -11.883 -3.705 1.00 0.00 C ATOM 878 O TRP A 56 0.532 -11.608 -4.225 1.00 0.00 O ATOM 879 CB TRP A 56 -2.343 -11.440 -5.403 1.00 0.00 C ATOM 880 CG TRP A 56 -3.247 -12.638 -5.405 1.00 0.00 C ATOM 881 CD1 TRP A 56 -3.063 -13.810 -4.729 1.00 0.00 C ATOM 882 CD2 TRP A 56 -4.478 -12.779 -6.124 1.00 0.00 C ATOM 883 NE1 TRP A 56 -4.106 -14.669 -4.982 1.00 0.00 N ATOM 884 CE2 TRP A 56 -4.986 -14.059 -5.835 1.00 0.00 C ATOM 885 CE3 TRP A 56 -5.200 -11.946 -6.983 1.00 0.00 C ATOM 886 CZ2 TRP A 56 -6.183 -14.525 -6.376 1.00 0.00 C ATOM 887 CZ3 TRP A 56 -6.387 -12.409 -7.520 1.00 0.00 C ATOM 888 CH2 TRP A 56 -6.868 -13.687 -7.214 1.00 0.00 C ATOM 0 H TRP A 56 -1.325 -9.216 -4.861 1.00 0.00 H new ATOM 0 HA TRP A 56 -2.543 -11.318 -3.261 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -2.887 -10.586 -5.807 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -1.504 -11.629 -6.073 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -2.221 -14.030 -4.089 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -4.208 -15.608 -4.597 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -4.837 -10.958 -7.223 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -6.556 -15.511 -6.143 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -6.952 -11.774 -8.186 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -7.799 -14.019 -7.648 1.00 0.00 H new ATOM 899 N ARG A 57 -0.713 -12.887 -2.850 1.00 0.00 N ATOM 900 CA ARG A 57 0.391 -13.750 -2.458 1.00 0.00 C ATOM 901 C ARG A 57 0.581 -14.874 -3.471 1.00 0.00 C ATOM 902 O ARG A 57 -0.367 -15.283 -4.142 1.00 0.00 O ATOM 903 CB ARG A 57 0.135 -14.337 -1.068 1.00 0.00 C ATOM 904 CG ARG A 57 1.391 -14.837 -0.373 1.00 0.00 C ATOM 905 CD ARG A 57 1.086 -15.992 0.564 1.00 0.00 C ATOM 906 NE ARG A 57 2.221 -16.315 1.425 1.00 0.00 N ATOM 907 CZ ARG A 57 2.537 -15.630 2.523 1.00 0.00 C ATOM 908 NH1 ARG A 57 1.804 -14.588 2.898 1.00 0.00 N ATOM 909 NH2 ARG A 57 3.588 -15.989 3.247 1.00 0.00 N ATOM 0 H ARG A 57 -1.605 -13.122 -2.415 1.00 0.00 H new ATOM 0 HA ARG A 57 1.301 -13.151 -2.429 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -0.336 -13.578 -0.444 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.573 -15.161 -1.156 1.00 0.00 H new ATOM 0 HG2 ARG A 57 2.119 -15.155 -1.119 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.846 -14.022 0.189 1.00 0.00 H new ATOM 0 HD2 ARG A 57 0.224 -15.740 1.181 1.00 0.00 H new ATOM 0 HD3 ARG A 57 0.813 -16.871 -0.021 1.00 0.00 H new ATOM 0 HE ARG A 57 2.806 -17.111 1.171 1.00 0.00 H new ATOM 0 HH11 ARG A 57 0.994 -14.308 2.344 1.00 0.00 H new ATOM 0 HH12 ARG A 57 2.051 -14.067 3.740 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.154 -16.789 2.963 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.831 -15.465 4.088 1.00 0.00 H new ATOM 923 N ARG A 58 1.809 -15.370 -3.582 1.00 0.00 N ATOM 924 CA ARG A 58 2.118 -16.445 -4.518 1.00 0.00 C ATOM 925 C ARG A 58 2.003 -17.813 -3.848 1.00 0.00 C ATOM 926 O ARG A 58 2.553 -18.799 -4.340 1.00 0.00 O ATOM 927 CB ARG A 58 3.525 -16.261 -5.083 1.00 0.00 C ATOM 928 CG ARG A 58 3.625 -15.155 -6.124 1.00 0.00 C ATOM 929 CD ARG A 58 3.144 -15.626 -7.486 1.00 0.00 C ATOM 930 NE ARG A 58 4.106 -16.519 -8.128 1.00 0.00 N ATOM 931 CZ ARG A 58 5.227 -16.105 -8.715 1.00 0.00 C ATOM 932 NH1 ARG A 58 5.529 -14.813 -8.743 1.00 0.00 N ATOM 933 NH2 ARG A 58 6.046 -16.984 -9.275 1.00 0.00 N ATOM 0 H ARG A 58 2.606 -15.045 -3.035 1.00 0.00 H new ATOM 0 HA ARG A 58 1.393 -16.402 -5.331 1.00 0.00 H new ATOM 0 HB2 ARG A 58 4.210 -16.041 -4.264 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.853 -17.199 -5.530 1.00 0.00 H new ATOM 0 HG2 ARG A 58 3.032 -14.298 -5.804 1.00 0.00 H new ATOM 0 HG3 ARG A 58 4.659 -14.817 -6.199 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.190 -16.141 -7.375 1.00 0.00 H new ATOM 0 HD3 ARG A 58 2.968 -14.762 -8.127 1.00 0.00 H new ATOM 0 HE ARG A 58 3.907 -17.519 -8.126 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.901 -14.133 -8.314 1.00 0.00 H new ATOM 0 HH12 ARG A 58 6.389 -14.500 -9.194 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.817 -17.978 -9.256 1.00 0.00 H new ATOM 0 HH22 ARG A 58 6.905 -16.666 -9.725 1.00 0.00 H new ATOM 947 N ALA A 59 1.286 -17.870 -2.728 1.00 0.00 N ATOM 948 CA ALA A 59 1.104 -19.122 -2.000 1.00 0.00 C ATOM 949 C ALA A 59 2.446 -19.768 -1.668 1.00 0.00 C ATOM 950 O ALA A 59 2.770 -20.845 -2.169 1.00 0.00 O ATOM 951 CB ALA A 59 0.239 -20.079 -2.807 1.00 0.00 C ATOM 0 H ALA A 59 0.823 -17.065 -2.306 1.00 0.00 H new ATOM 0 HA ALA A 59 0.600 -18.897 -1.060 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.111 -21.009 -2.253 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.736 -19.626 -2.985 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.722 -20.289 -3.762 1.00 0.00 H new ATOM 957 N GLY A 60 3.222 -19.103 -0.818 1.00 0.00 N ATOM 958 CA GLY A 60 4.518 -19.627 -0.434 1.00 0.00 C ATOM 959 C GLY A 60 5.430 -18.559 0.138 1.00 0.00 C ATOM 960 O GLY A 60 6.107 -18.782 1.141 1.00 0.00 O ATOM 0 H GLY A 60 2.976 -18.211 -0.389 1.00 0.00 H new ATOM 0 HA2 GLY A 60 4.382 -20.418 0.304 1.00 0.00 H new ATOM 0 HA3 GLY A 60 4.995 -20.080 -1.303 1.00 0.00 H new ATOM 964 N GLY A 61 5.446 -17.394 -0.503 1.00 0.00 N ATOM 965 CA GLY A 61 6.283 -16.304 -0.037 1.00 0.00 C ATOM 966 C GLY A 61 6.599 -15.305 -1.133 1.00 0.00 C ATOM 967 O GLY A 61 7.735 -15.223 -1.599 1.00 0.00 O ATOM 0 H GLY A 61 4.895 -17.186 -1.336 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.782 -15.791 0.784 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.214 -16.709 0.360 1.00 0.00 H new ATOM 971 N ARG A 62 5.591 -14.541 -1.543 1.00 0.00 N ATOM 972 CA ARG A 62 5.768 -13.540 -2.588 1.00 0.00 C ATOM 973 C ARG A 62 4.498 -12.717 -2.766 1.00 0.00 C ATOM 974 O ARG A 62 3.391 -13.241 -2.676 1.00 0.00 O ATOM 975 CB ARG A 62 6.149 -14.207 -3.910 1.00 0.00 C ATOM 976 CG ARG A 62 6.850 -13.272 -4.883 1.00 0.00 C ATOM 977 CD ARG A 62 7.073 -13.936 -6.232 1.00 0.00 C ATOM 978 NE ARG A 62 8.404 -13.659 -6.766 1.00 0.00 N ATOM 979 CZ ARG A 62 9.506 -14.293 -6.373 1.00 0.00 C ATOM 980 NH1 ARG A 62 9.441 -15.239 -5.444 1.00 0.00 N ATOM 981 NH2 ARG A 62 10.677 -13.980 -6.910 1.00 0.00 N ATOM 0 H ARG A 62 4.644 -14.596 -1.168 1.00 0.00 H new ATOM 0 HA ARG A 62 6.575 -12.873 -2.285 1.00 0.00 H new ATOM 0 HB2 ARG A 62 6.799 -15.058 -3.704 1.00 0.00 H new ATOM 0 HB3 ARG A 62 5.249 -14.600 -4.382 1.00 0.00 H new ATOM 0 HG2 ARG A 62 6.254 -12.369 -5.015 1.00 0.00 H new ATOM 0 HG3 ARG A 62 7.808 -12.963 -4.466 1.00 0.00 H new ATOM 0 HD2 ARG A 62 6.940 -15.013 -6.132 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.319 -13.586 -6.937 1.00 0.00 H new ATOM 0 HE ARG A 62 8.494 -12.938 -7.482 1.00 0.00 H new ATOM 0 HH11 ARG A 62 8.543 -15.484 -5.027 1.00 0.00 H new ATOM 0 HH12 ARG A 62 10.289 -15.721 -5.147 1.00 0.00 H new ATOM 0 HH21 ARG A 62 10.733 -13.254 -7.624 1.00 0.00 H new ATOM 0 HH22 ARG A 62 11.522 -14.466 -6.609 1.00 0.00 H new ATOM 995 N LEU A 63 4.672 -11.426 -3.018 1.00 0.00 N ATOM 996 CA LEU A 63 3.545 -10.521 -3.208 1.00 0.00 C ATOM 997 C LEU A 63 3.621 -9.841 -4.562 1.00 0.00 C ATOM 998 O LEU A 63 4.705 -9.595 -5.084 1.00 0.00 O ATOM 999 CB LEU A 63 3.515 -9.462 -2.106 1.00 0.00 C ATOM 1000 CG LEU A 63 3.005 -9.962 -0.758 1.00 0.00 C ATOM 1001 CD1 LEU A 63 1.532 -10.324 -0.853 1.00 0.00 C ATOM 1002 CD2 LEU A 63 3.823 -11.158 -0.299 1.00 0.00 C ATOM 0 H LEU A 63 5.586 -10.980 -3.096 1.00 0.00 H new ATOM 0 HA LEU A 63 2.631 -11.113 -3.161 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.522 -9.065 -1.974 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.886 -8.634 -2.433 1.00 0.00 H new ATOM 0 HG LEU A 63 3.115 -9.165 -0.022 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.181 -10.679 0.116 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.959 -9.444 -1.146 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.397 -11.109 -1.597 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.450 -11.506 0.664 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.738 -11.960 -1.032 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.869 -10.867 -0.199 1.00 0.00 H new ATOM 1014 N HIS A 64 2.463 -9.532 -5.124 1.00 0.00 N ATOM 1015 CA HIS A 64 2.403 -8.873 -6.415 1.00 0.00 C ATOM 1016 C HIS A 64 1.098 -8.108 -6.566 1.00 0.00 C ATOM 1017 O HIS A 64 0.051 -8.694 -6.839 1.00 0.00 O ATOM 1018 CB HIS A 64 2.560 -9.892 -7.546 1.00 0.00 C ATOM 1019 CG HIS A 64 1.449 -10.893 -7.621 1.00 0.00 C ATOM 1020 ND1 HIS A 64 0.352 -10.739 -8.442 1.00 0.00 N ATOM 1021 CD2 HIS A 64 1.275 -12.074 -6.980 1.00 0.00 C ATOM 1022 CE1 HIS A 64 -0.449 -11.782 -8.303 1.00 0.00 C ATOM 1023 NE2 HIS A 64 0.090 -12.605 -7.423 1.00 0.00 N ATOM 0 H HIS A 64 1.554 -9.728 -4.705 1.00 0.00 H new ATOM 0 HA HIS A 64 3.227 -8.162 -6.474 1.00 0.00 H new ATOM 0 HB2 HIS A 64 2.621 -9.360 -8.495 1.00 0.00 H new ATOM 0 HB3 HIS A 64 3.504 -10.421 -7.416 1.00 0.00 H new ATOM 0 HD1 HIS A 64 0.185 -9.945 -9.060 1.00 0.00 H new ATOM 0 HD2 HIS A 64 1.944 -12.515 -6.256 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -1.384 -11.934 -8.821 1.00 0.00 H new ATOM 1032 N LEU A 65 1.163 -6.793 -6.393 1.00 0.00 N ATOM 1033 CA LEU A 65 -0.024 -5.962 -6.525 1.00 0.00 C ATOM 1034 C LEU A 65 -0.593 -6.083 -7.933 1.00 0.00 C ATOM 1035 O LEU A 65 -1.773 -5.828 -8.172 1.00 0.00 O ATOM 1036 CB LEU A 65 0.302 -4.502 -6.214 1.00 0.00 C ATOM 1037 CG LEU A 65 0.352 -4.158 -4.728 1.00 0.00 C ATOM 1038 CD1 LEU A 65 1.435 -4.967 -4.035 1.00 0.00 C ATOM 1039 CD2 LEU A 65 0.579 -2.667 -4.528 1.00 0.00 C ATOM 0 H LEU A 65 2.017 -6.285 -6.163 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.769 -6.309 -5.809 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.265 -4.257 -6.662 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.443 -3.868 -6.694 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.608 -4.415 -4.281 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.459 -4.711 -2.976 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.223 -6.030 -4.147 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.402 -4.741 -4.485 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.611 -2.444 -3.462 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.524 -2.378 -4.988 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.235 -2.110 -4.991 1.00 0.00 H new ATOM 1051 N ASN A 66 0.272 -6.483 -8.856 1.00 0.00 N ATOM 1052 CA ASN A 66 -0.098 -6.660 -10.252 1.00 0.00 C ATOM 1053 C ASN A 66 0.642 -7.852 -10.847 1.00 0.00 C ATOM 1054 O ASN A 66 1.480 -8.467 -10.186 1.00 0.00 O ATOM 1055 CB ASN A 66 0.213 -5.393 -11.052 1.00 0.00 C ATOM 1056 CG ASN A 66 -0.922 -5.002 -11.978 1.00 0.00 C ATOM 1057 OD1 ASN A 66 -1.896 -4.379 -11.556 1.00 0.00 O ATOM 1058 ND2 ASN A 66 -0.802 -5.367 -13.249 1.00 0.00 N ATOM 0 H ASN A 66 1.250 -6.694 -8.657 1.00 0.00 H new ATOM 0 HA ASN A 66 -1.170 -6.850 -10.305 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.416 -4.573 -10.364 1.00 0.00 H new ATOM 0 HB3 ASN A 66 1.119 -5.549 -11.638 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -1.535 -5.132 -13.919 1.00 0.00 H new ATOM 0 HD22 ASN A 66 0.023 -5.883 -13.556 1.00 0.00 H new ATOM 1065 N GLU A 67 0.334 -8.176 -12.098 1.00 0.00 N ATOM 1066 CA GLU A 67 0.974 -9.300 -12.773 1.00 0.00 C ATOM 1067 C GLU A 67 2.362 -8.933 -13.299 1.00 0.00 C ATOM 1068 O GLU A 67 2.871 -9.575 -14.218 1.00 0.00 O ATOM 1069 CB GLU A 67 0.096 -9.790 -13.927 1.00 0.00 C ATOM 1070 CG GLU A 67 -0.370 -8.677 -14.852 1.00 0.00 C ATOM 1071 CD GLU A 67 -0.379 -9.096 -16.309 1.00 0.00 C ATOM 1072 OE1 GLU A 67 -0.434 -10.314 -16.576 1.00 0.00 O ATOM 1073 OE2 GLU A 67 -0.333 -8.204 -17.183 1.00 0.00 O ATOM 0 H GLU A 67 -0.353 -7.678 -12.664 1.00 0.00 H new ATOM 0 HA GLU A 67 1.095 -10.097 -12.039 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.652 -10.526 -14.508 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.776 -10.300 -13.518 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.373 -8.364 -14.561 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.282 -7.812 -14.731 1.00 0.00 H new ATOM 1080 N ALA A 68 2.975 -7.903 -12.719 1.00 0.00 N ATOM 1081 CA ALA A 68 4.300 -7.474 -13.147 1.00 0.00 C ATOM 1082 C ALA A 68 5.113 -6.887 -11.992 1.00 0.00 C ATOM 1083 O ALA A 68 6.148 -6.261 -12.217 1.00 0.00 O ATOM 1084 CB ALA A 68 4.183 -6.461 -14.275 1.00 0.00 C ATOM 0 H ALA A 68 2.577 -7.355 -11.957 1.00 0.00 H new ATOM 0 HA ALA A 68 4.831 -8.356 -13.505 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.179 -6.147 -14.587 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.664 -6.915 -15.119 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.621 -5.594 -13.928 1.00 0.00 H new ATOM 1090 N VAL A 69 4.650 -7.083 -10.757 1.00 0.00 N ATOM 1091 CA VAL A 69 5.362 -6.555 -9.595 1.00 0.00 C ATOM 1092 C VAL A 69 5.435 -7.582 -8.464 1.00 0.00 C ATOM 1093 O VAL A 69 4.926 -7.351 -7.370 1.00 0.00 O ATOM 1094 CB VAL A 69 4.701 -5.262 -9.073 1.00 0.00 C ATOM 1095 CG1 VAL A 69 4.658 -4.207 -10.167 1.00 0.00 C ATOM 1096 CG2 VAL A 69 3.301 -5.544 -8.542 1.00 0.00 C ATOM 0 H VAL A 69 3.796 -7.597 -10.538 1.00 0.00 H new ATOM 0 HA VAL A 69 6.376 -6.327 -9.925 1.00 0.00 H new ATOM 0 HB VAL A 69 5.304 -4.880 -8.249 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.189 -3.302 -9.781 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.673 -3.979 -10.493 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.081 -4.583 -11.012 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.856 -4.617 -8.180 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.684 -5.955 -9.342 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.360 -6.262 -7.724 1.00 0.00 H new ATOM 1106 N SER A 70 6.070 -8.717 -8.737 1.00 0.00 N ATOM 1107 CA SER A 70 6.200 -9.778 -7.740 1.00 0.00 C ATOM 1108 C SER A 70 7.398 -9.547 -6.821 1.00 0.00 C ATOM 1109 O SER A 70 8.485 -9.189 -7.275 1.00 0.00 O ATOM 1110 CB SER A 70 6.329 -11.137 -8.429 1.00 0.00 C ATOM 1111 OG SER A 70 5.801 -11.094 -9.744 1.00 0.00 O ATOM 0 H SER A 70 6.502 -8.927 -9.637 1.00 0.00 H new ATOM 0 HA SER A 70 5.299 -9.765 -7.127 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.378 -11.432 -8.464 1.00 0.00 H new ATOM 0 HB3 SER A 70 5.804 -11.895 -7.847 1.00 0.00 H new ATOM 0 HG SER A 70 5.897 -11.974 -10.164 1.00 0.00 H new ATOM 1117 N PHE A 71 7.187 -9.761 -5.523 1.00 0.00 N ATOM 1118 CA PHE A 71 8.241 -9.586 -4.527 1.00 0.00 C ATOM 1119 C PHE A 71 7.973 -10.436 -3.290 1.00 0.00 C ATOM 1120 O PHE A 71 6.924 -10.327 -2.659 1.00 0.00 O ATOM 1121 CB PHE A 71 8.376 -8.112 -4.145 1.00 0.00 C ATOM 1122 CG PHE A 71 9.605 -7.467 -4.719 1.00 0.00 C ATOM 1123 CD1 PHE A 71 10.828 -7.587 -4.079 1.00 0.00 C ATOM 1124 CD2 PHE A 71 9.539 -6.747 -5.901 1.00 0.00 C ATOM 1125 CE1 PHE A 71 11.962 -7.001 -4.608 1.00 0.00 C ATOM 1126 CE2 PHE A 71 10.669 -6.157 -6.433 1.00 0.00 C ATOM 1127 CZ PHE A 71 11.883 -6.285 -5.786 1.00 0.00 C ATOM 0 H PHE A 71 6.291 -10.057 -5.136 1.00 0.00 H new ATOM 0 HA PHE A 71 9.181 -9.919 -4.968 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.494 -7.571 -4.489 1.00 0.00 H new ATOM 0 HB3 PHE A 71 8.400 -8.025 -3.059 1.00 0.00 H new ATOM 0 HD1 PHE A 71 10.896 -8.145 -3.157 1.00 0.00 H new ATOM 0 HD2 PHE A 71 8.593 -6.646 -6.412 1.00 0.00 H new ATOM 0 HE1 PHE A 71 12.910 -7.103 -4.100 1.00 0.00 H new ATOM 0 HE2 PHE A 71 10.604 -5.596 -7.354 1.00 0.00 H new ATOM 0 HZ PHE A 71 12.768 -5.826 -6.201 1.00 0.00 H new ATOM 1137 N LEU A 72 8.947 -11.285 -2.971 1.00 0.00 N ATOM 1138 CA LEU A 72 8.898 -12.201 -1.825 1.00 0.00 C ATOM 1139 C LEU A 72 7.962 -11.739 -0.702 1.00 0.00 C ATOM 1140 O LEU A 72 7.258 -12.554 -0.105 1.00 0.00 O ATOM 1141 CB LEU A 72 10.308 -12.370 -1.266 1.00 0.00 C ATOM 1142 CG LEU A 72 11.131 -11.082 -1.230 1.00 0.00 C ATOM 1143 CD1 LEU A 72 10.812 -10.284 0.027 1.00 0.00 C ATOM 1144 CD2 LEU A 72 12.618 -11.395 -1.308 1.00 0.00 C ATOM 0 H LEU A 72 9.810 -11.360 -3.509 1.00 0.00 H new ATOM 0 HA LEU A 72 8.496 -13.145 -2.194 1.00 0.00 H new ATOM 0 HB2 LEU A 72 10.239 -12.771 -0.255 1.00 0.00 H new ATOM 0 HB3 LEU A 72 10.838 -13.109 -1.867 1.00 0.00 H new ATOM 0 HG LEU A 72 10.866 -10.477 -2.097 1.00 0.00 H new ATOM 0 HD11 LEU A 72 11.406 -9.370 0.038 1.00 0.00 H new ATOM 0 HD12 LEU A 72 9.752 -10.029 0.037 1.00 0.00 H new ATOM 0 HD13 LEU A 72 11.049 -10.881 0.907 1.00 0.00 H new ATOM 0 HD21 LEU A 72 13.187 -10.466 -1.281 1.00 0.00 H new ATOM 0 HD22 LEU A 72 12.903 -12.020 -0.462 1.00 0.00 H new ATOM 0 HD23 LEU A 72 12.830 -11.924 -2.237 1.00 0.00 H new ATOM 1156 N SER A 73 7.961 -10.444 -0.407 1.00 0.00 N ATOM 1157 CA SER A 73 7.113 -9.913 0.656 1.00 0.00 C ATOM 1158 C SER A 73 6.667 -8.490 0.350 1.00 0.00 C ATOM 1159 O SER A 73 7.161 -7.862 -0.587 1.00 0.00 O ATOM 1160 CB SER A 73 7.856 -9.950 1.991 1.00 0.00 C ATOM 1161 OG SER A 73 6.976 -9.694 3.072 1.00 0.00 O ATOM 0 H SER A 73 8.532 -9.747 -0.884 1.00 0.00 H new ATOM 0 HA SER A 73 6.224 -10.541 0.720 1.00 0.00 H new ATOM 0 HB2 SER A 73 8.325 -10.925 2.123 1.00 0.00 H new ATOM 0 HB3 SER A 73 8.656 -9.210 1.986 1.00 0.00 H new ATOM 0 HG SER A 73 7.475 -9.725 3.915 1.00 0.00 H new ATOM 1167 N LEU A 74 5.733 -7.981 1.150 1.00 0.00 N ATOM 1168 CA LEU A 74 5.231 -6.628 0.959 1.00 0.00 C ATOM 1169 C LEU A 74 6.372 -5.614 1.015 1.00 0.00 C ATOM 1170 O LEU A 74 6.632 -4.913 0.041 1.00 0.00 O ATOM 1171 CB LEU A 74 4.183 -6.269 2.011 1.00 0.00 C ATOM 1172 CG LEU A 74 2.767 -6.050 1.469 1.00 0.00 C ATOM 1173 CD1 LEU A 74 2.798 -5.426 0.080 1.00 0.00 C ATOM 1174 CD2 LEU A 74 1.990 -7.358 1.455 1.00 0.00 C ATOM 0 H LEU A 74 5.312 -8.484 1.931 1.00 0.00 H new ATOM 0 HA LEU A 74 4.765 -6.593 -0.026 1.00 0.00 H new ATOM 0 HB2 LEU A 74 4.151 -7.064 2.756 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.503 -5.363 2.525 1.00 0.00 H new ATOM 0 HG LEU A 74 2.257 -5.354 2.135 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.778 -5.283 -0.277 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.305 -4.462 0.125 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.333 -6.086 -0.603 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.987 -7.181 1.067 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.503 -8.079 0.819 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.922 -7.752 2.469 1.00 0.00 H new ATOM 1186 N PRO A 75 7.071 -5.525 2.168 1.00 0.00 N ATOM 1187 CA PRO A 75 8.186 -4.599 2.365 1.00 0.00 C ATOM 1188 C PRO A 75 9.052 -4.452 1.118 1.00 0.00 C ATOM 1189 O PRO A 75 9.366 -3.338 0.698 1.00 0.00 O ATOM 1190 CB PRO A 75 8.991 -5.233 3.512 1.00 0.00 C ATOM 1191 CG PRO A 75 8.220 -6.444 3.952 1.00 0.00 C ATOM 1192 CD PRO A 75 6.837 -6.314 3.379 1.00 0.00 C ATOM 0 HA PRO A 75 7.836 -3.590 2.585 1.00 0.00 H new ATOM 0 HB2 PRO A 75 9.991 -5.509 3.178 1.00 0.00 H new ATOM 0 HB3 PRO A 75 9.113 -4.530 4.336 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.700 -7.357 3.599 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.183 -6.504 5.040 1.00 0.00 H new ATOM 0 HD2 PRO A 75 6.398 -7.286 3.152 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.158 -5.810 4.067 1.00 0.00 H new ATOM 1200 N GLU A 76 9.422 -5.579 0.520 1.00 0.00 N ATOM 1201 CA GLU A 76 10.235 -5.558 -0.688 1.00 0.00 C ATOM 1202 C GLU A 76 9.379 -5.158 -1.881 1.00 0.00 C ATOM 1203 O GLU A 76 9.801 -4.375 -2.732 1.00 0.00 O ATOM 1204 CB GLU A 76 10.873 -6.927 -0.927 1.00 0.00 C ATOM 1205 CG GLU A 76 11.724 -7.415 0.235 1.00 0.00 C ATOM 1206 CD GLU A 76 12.703 -6.366 0.728 1.00 0.00 C ATOM 1207 OE1 GLU A 76 13.793 -6.243 0.130 1.00 0.00 O ATOM 1208 OE2 GLU A 76 12.379 -5.666 1.711 1.00 0.00 O ATOM 0 H GLU A 76 9.174 -6.512 0.850 1.00 0.00 H new ATOM 0 HA GLU A 76 11.032 -4.825 -0.563 1.00 0.00 H new ATOM 0 HB2 GLU A 76 10.086 -7.656 -1.121 1.00 0.00 H new ATOM 0 HB3 GLU A 76 11.491 -6.879 -1.824 1.00 0.00 H new ATOM 0 HG2 GLU A 76 11.073 -7.712 1.057 1.00 0.00 H new ATOM 0 HG3 GLU A 76 12.275 -8.304 -0.072 1.00 0.00 H new ATOM 1215 N LEU A 77 8.161 -5.690 -1.922 1.00 0.00 N ATOM 1216 CA LEU A 77 7.222 -5.380 -2.993 1.00 0.00 C ATOM 1217 C LEU A 77 6.959 -3.875 -3.037 1.00 0.00 C ATOM 1218 O LEU A 77 6.969 -3.262 -4.105 1.00 0.00 O ATOM 1219 CB LEU A 77 5.919 -6.170 -2.782 1.00 0.00 C ATOM 1220 CG LEU A 77 4.638 -5.538 -3.344 1.00 0.00 C ATOM 1221 CD1 LEU A 77 4.152 -4.418 -2.437 1.00 0.00 C ATOM 1222 CD2 LEU A 77 4.860 -5.029 -4.761 1.00 0.00 C ATOM 0 H LEU A 77 7.801 -6.340 -1.223 1.00 0.00 H new ATOM 0 HA LEU A 77 7.648 -5.674 -3.952 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.040 -7.155 -3.233 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.783 -6.324 -1.712 1.00 0.00 H new ATOM 0 HG LEU A 77 3.867 -6.307 -3.381 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.243 -3.982 -2.852 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.942 -4.818 -1.445 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.922 -3.650 -2.363 1.00 0.00 H new ATOM 0 HD21 LEU A 77 3.938 -4.586 -5.137 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.649 -4.277 -4.758 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.152 -5.859 -5.404 1.00 0.00 H new ATOM 1234 N VAL A 78 6.739 -3.288 -1.864 1.00 0.00 N ATOM 1235 CA VAL A 78 6.490 -1.857 -1.753 1.00 0.00 C ATOM 1236 C VAL A 78 7.729 -1.079 -2.192 1.00 0.00 C ATOM 1237 O VAL A 78 7.623 0.016 -2.745 1.00 0.00 O ATOM 1238 CB VAL A 78 6.088 -1.477 -0.302 1.00 0.00 C ATOM 1239 CG1 VAL A 78 6.299 0.007 -0.012 1.00 0.00 C ATOM 1240 CG2 VAL A 78 4.638 -1.864 -0.040 1.00 0.00 C ATOM 0 H VAL A 78 6.728 -3.786 -0.974 1.00 0.00 H new ATOM 0 HA VAL A 78 5.660 -1.595 -2.408 1.00 0.00 H new ATOM 0 HB VAL A 78 6.740 -2.033 0.371 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.003 0.223 1.015 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.351 0.258 -0.147 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.693 0.601 -0.696 1.00 0.00 H new ATOM 0 HG21 VAL A 78 4.368 -1.593 0.980 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.989 -1.337 -0.740 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.519 -2.939 -0.173 1.00 0.00 H new ATOM 1250 N ASN A 79 8.902 -1.663 -1.961 1.00 0.00 N ATOM 1251 CA ASN A 79 10.156 -1.031 -2.352 1.00 0.00 C ATOM 1252 C ASN A 79 10.201 -0.853 -3.865 1.00 0.00 C ATOM 1253 O ASN A 79 10.699 0.152 -4.371 1.00 0.00 O ATOM 1254 CB ASN A 79 11.348 -1.869 -1.886 1.00 0.00 C ATOM 1255 CG ASN A 79 12.673 -1.180 -2.144 1.00 0.00 C ATOM 1256 OD1 ASN A 79 13.588 -1.766 -2.723 1.00 0.00 O ATOM 1257 ND2 ASN A 79 12.784 0.071 -1.713 1.00 0.00 N ATOM 0 H ASN A 79 9.009 -2.570 -1.506 1.00 0.00 H new ATOM 0 HA ASN A 79 10.214 -0.052 -1.877 1.00 0.00 H new ATOM 0 HB2 ASN A 79 11.250 -2.075 -0.820 1.00 0.00 H new ATOM 0 HB3 ASN A 79 11.335 -2.831 -2.399 1.00 0.00 H new ATOM 0 HD21 ASN A 79 13.653 0.585 -1.857 1.00 0.00 H new ATOM 0 HD22 ASN A 79 12.000 0.518 -1.238 1.00 0.00 H new ATOM 1264 N TYR A 80 9.658 -1.833 -4.581 1.00 0.00 N ATOM 1265 CA TYR A 80 9.616 -1.783 -6.036 1.00 0.00 C ATOM 1266 C TYR A 80 8.679 -0.673 -6.490 1.00 0.00 C ATOM 1267 O TYR A 80 8.987 0.081 -7.412 1.00 0.00 O ATOM 1268 CB TYR A 80 9.150 -3.125 -6.602 1.00 0.00 C ATOM 1269 CG TYR A 80 9.282 -3.230 -8.105 1.00 0.00 C ATOM 1270 CD1 TYR A 80 10.514 -3.469 -8.698 1.00 0.00 C ATOM 1271 CD2 TYR A 80 8.171 -3.090 -8.929 1.00 0.00 C ATOM 1272 CE1 TYR A 80 10.638 -3.565 -10.071 1.00 0.00 C ATOM 1273 CE2 TYR A 80 8.288 -3.186 -10.303 1.00 0.00 C ATOM 1274 CZ TYR A 80 9.522 -3.424 -10.869 1.00 0.00 C ATOM 1275 OH TYR A 80 9.642 -3.519 -12.236 1.00 0.00 O ATOM 0 H TYR A 80 9.241 -2.671 -4.176 1.00 0.00 H new ATOM 0 HA TYR A 80 10.620 -1.577 -6.408 1.00 0.00 H new ATOM 0 HB2 TYR A 80 9.728 -3.925 -6.139 1.00 0.00 H new ATOM 0 HB3 TYR A 80 8.108 -3.283 -6.326 1.00 0.00 H new ATOM 0 HD1 TYR A 80 11.390 -3.582 -8.076 1.00 0.00 H new ATOM 0 HD2 TYR A 80 7.202 -2.904 -8.489 1.00 0.00 H new ATOM 0 HE1 TYR A 80 11.604 -3.750 -10.517 1.00 0.00 H new ATOM 0 HE2 TYR A 80 7.416 -3.075 -10.930 1.00 0.00 H new ATOM 0 HH TYR A 80 10.078 -2.713 -12.583 1.00 0.00 H new ATOM 1285 N HIS A 81 7.538 -0.573 -5.817 1.00 0.00 N ATOM 1286 CA HIS A 81 6.552 0.453 -6.128 1.00 0.00 C ATOM 1287 C HIS A 81 7.150 1.837 -5.927 1.00 0.00 C ATOM 1288 O HIS A 81 6.760 2.797 -6.589 1.00 0.00 O ATOM 1289 CB HIS A 81 5.322 0.302 -5.234 1.00 0.00 C ATOM 1290 CG HIS A 81 4.400 -0.796 -5.649 1.00 0.00 C ATOM 1291 ND1 HIS A 81 4.042 -1.014 -6.958 1.00 0.00 N ATOM 1292 CD2 HIS A 81 3.768 -1.749 -4.923 1.00 0.00 C ATOM 1293 CE1 HIS A 81 3.236 -2.055 -7.026 1.00 0.00 C ATOM 1294 NE2 HIS A 81 3.053 -2.522 -5.805 1.00 0.00 N ATOM 0 H HIS A 81 7.273 -1.192 -5.051 1.00 0.00 H new ATOM 0 HA HIS A 81 6.255 0.334 -7.170 1.00 0.00 H new ATOM 0 HB2 HIS A 81 5.650 0.120 -4.211 1.00 0.00 H new ATOM 0 HB3 HIS A 81 4.771 1.243 -5.230 1.00 0.00 H new ATOM 0 HD1 HIS A 81 4.352 -0.456 -7.754 1.00 0.00 H new ATOM 0 HD2 HIS A 81 3.817 -1.877 -3.852 1.00 0.00 H new ATOM 0 HE1 HIS A 81 2.799 -2.458 -7.928 1.00 0.00 H new ATOM 1303 N ARG A 82 8.096 1.933 -4.997 1.00 0.00 N ATOM 1304 CA ARG A 82 8.736 3.202 -4.704 1.00 0.00 C ATOM 1305 C ARG A 82 9.489 3.714 -5.909 1.00 0.00 C ATOM 1306 O ARG A 82 9.317 4.855 -6.331 1.00 0.00 O ATOM 1307 CB ARG A 82 9.662 3.066 -3.487 1.00 0.00 C ATOM 1308 CG ARG A 82 10.610 4.240 -3.275 1.00 0.00 C ATOM 1309 CD ARG A 82 11.969 3.775 -2.779 1.00 0.00 C ATOM 1310 NE ARG A 82 13.054 4.620 -3.271 1.00 0.00 N ATOM 1311 CZ ARG A 82 13.601 4.498 -4.479 1.00 0.00 C ATOM 1312 NH1 ARG A 82 13.163 3.573 -5.323 1.00 0.00 N ATOM 1313 NH2 ARG A 82 14.587 5.306 -4.844 1.00 0.00 N ATOM 0 H ARG A 82 8.432 1.149 -4.438 1.00 0.00 H new ATOM 0 HA ARG A 82 7.963 3.932 -4.462 1.00 0.00 H new ATOM 0 HB2 ARG A 82 9.050 2.945 -2.593 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.251 2.156 -3.596 1.00 0.00 H new ATOM 0 HG2 ARG A 82 10.730 4.786 -4.211 1.00 0.00 H new ATOM 0 HG3 ARG A 82 10.176 4.934 -2.555 1.00 0.00 H new ATOM 0 HD2 ARG A 82 11.976 3.776 -1.689 1.00 0.00 H new ATOM 0 HD3 ARG A 82 12.138 2.747 -3.098 1.00 0.00 H new ATOM 0 HE ARG A 82 13.414 5.347 -2.653 1.00 0.00 H new ATOM 0 HH11 ARG A 82 12.403 2.950 -5.048 1.00 0.00 H new ATOM 0 HH12 ARG A 82 13.586 3.484 -6.247 1.00 0.00 H new ATOM 0 HH21 ARG A 82 14.926 6.020 -4.200 1.00 0.00 H new ATOM 0 HH22 ARG A 82 15.006 5.213 -5.769 1.00 0.00 H new ATOM 1327 N ALA A 83 10.310 2.860 -6.461 1.00 0.00 N ATOM 1328 CA ALA A 83 11.082 3.215 -7.630 1.00 0.00 C ATOM 1329 C ALA A 83 10.147 3.387 -8.816 1.00 0.00 C ATOM 1330 O ALA A 83 10.017 4.473 -9.379 1.00 0.00 O ATOM 1331 CB ALA A 83 12.132 2.152 -7.924 1.00 0.00 C ATOM 0 H ALA A 83 10.464 1.911 -6.121 1.00 0.00 H new ATOM 0 HA ALA A 83 11.602 4.155 -7.444 1.00 0.00 H new ATOM 0 HB1 ALA A 83 12.702 2.438 -8.808 1.00 0.00 H new ATOM 0 HB2 ALA A 83 12.805 2.060 -7.072 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.641 1.195 -8.103 1.00 0.00 H new ATOM 1337 N GLN A 84 9.496 2.291 -9.176 1.00 0.00 N ATOM 1338 CA GLN A 84 8.552 2.276 -10.290 1.00 0.00 C ATOM 1339 C GLN A 84 7.104 2.408 -9.820 1.00 0.00 C ATOM 1340 O GLN A 84 6.709 1.809 -8.821 1.00 0.00 O ATOM 1341 CB GLN A 84 8.718 0.990 -11.102 1.00 0.00 C ATOM 1342 CG GLN A 84 9.742 1.106 -12.220 1.00 0.00 C ATOM 1343 CD GLN A 84 10.912 0.158 -12.042 1.00 0.00 C ATOM 1344 OE1 GLN A 84 10.988 -0.882 -12.697 1.00 0.00 O ATOM 1345 NE2 GLN A 84 11.831 0.512 -11.152 1.00 0.00 N ATOM 0 H GLN A 84 9.604 1.391 -8.709 1.00 0.00 H new ATOM 0 HA GLN A 84 8.776 3.139 -10.916 1.00 0.00 H new ATOM 0 HB2 GLN A 84 9.013 0.182 -10.432 1.00 0.00 H new ATOM 0 HB3 GLN A 84 7.755 0.713 -11.530 1.00 0.00 H new ATOM 0 HG2 GLN A 84 9.257 0.902 -13.174 1.00 0.00 H new ATOM 0 HG3 GLN A 84 10.113 2.130 -12.263 1.00 0.00 H new ATOM 0 HE21 GLN A 84 11.728 1.383 -10.631 1.00 0.00 H new ATOM 0 HE22 GLN A 84 12.640 -0.087 -10.989 1.00 0.00 H new ATOM 1354 N SER A 85 6.307 3.157 -10.576 1.00 0.00 N ATOM 1355 CA SER A 85 4.888 3.323 -10.266 1.00 0.00 C ATOM 1356 C SER A 85 4.059 2.316 -11.067 1.00 0.00 C ATOM 1357 O SER A 85 2.838 2.430 -11.154 1.00 0.00 O ATOM 1358 CB SER A 85 4.429 4.747 -10.590 1.00 0.00 C ATOM 1359 OG SER A 85 5.534 5.605 -10.807 1.00 0.00 O ATOM 0 H SER A 85 6.618 3.659 -11.408 1.00 0.00 H new ATOM 0 HA SER A 85 4.743 3.144 -9.201 1.00 0.00 H new ATOM 0 HB2 SER A 85 3.795 4.735 -11.477 1.00 0.00 H new ATOM 0 HB3 SER A 85 3.822 5.132 -9.770 1.00 0.00 H new ATOM 0 HG SER A 85 5.212 6.507 -11.014 1.00 0.00 H new ATOM 1365 N LEU A 86 4.741 1.334 -11.663 1.00 0.00 N ATOM 1366 CA LEU A 86 4.081 0.310 -12.468 1.00 0.00 C ATOM 1367 C LEU A 86 2.946 -0.353 -11.698 1.00 0.00 C ATOM 1368 O LEU A 86 3.149 -0.895 -10.612 1.00 0.00 O ATOM 1369 CB LEU A 86 5.093 -0.749 -12.913 1.00 0.00 C ATOM 1370 CG LEU A 86 4.508 -1.897 -13.739 1.00 0.00 C ATOM 1371 CD1 LEU A 86 4.723 -1.650 -15.224 1.00 0.00 C ATOM 1372 CD2 LEU A 86 5.124 -3.224 -13.320 1.00 0.00 C ATOM 0 H LEU A 86 5.754 1.229 -11.601 1.00 0.00 H new ATOM 0 HA LEU A 86 3.659 0.798 -13.346 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.873 -0.261 -13.498 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.573 -1.166 -12.028 1.00 0.00 H new ATOM 0 HG LEU A 86 3.435 -1.944 -13.552 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.301 -2.477 -15.795 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.232 -0.721 -15.513 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.791 -1.575 -15.430 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.696 -4.029 -13.918 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.202 -3.190 -13.476 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.915 -3.405 -12.266 1.00 0.00 H new ATOM 1384 N SER A 87 1.748 -0.302 -12.271 1.00 0.00 N ATOM 1385 CA SER A 87 0.574 -0.894 -11.643 1.00 0.00 C ATOM 1386 C SER A 87 0.350 -0.324 -10.245 1.00 0.00 C ATOM 1387 O SER A 87 -0.354 -0.919 -9.429 1.00 0.00 O ATOM 1388 CB SER A 87 0.721 -2.414 -11.566 1.00 0.00 C ATOM 1389 OG SER A 87 0.813 -2.984 -12.861 1.00 0.00 O ATOM 0 H SER A 87 1.565 0.144 -13.170 1.00 0.00 H new ATOM 0 HA SER A 87 -0.292 -0.648 -12.257 1.00 0.00 H new ATOM 0 HB2 SER A 87 1.611 -2.668 -10.990 1.00 0.00 H new ATOM 0 HB3 SER A 87 -0.133 -2.839 -11.038 1.00 0.00 H new ATOM 0 HG SER A 87 1.481 -3.701 -12.856 1.00 0.00 H new ATOM 1395 N HIS A 88 0.946 0.835 -9.973 1.00 0.00 N ATOM 1396 CA HIS A 88 0.798 1.478 -8.678 1.00 0.00 C ATOM 1397 C HIS A 88 0.684 2.991 -8.852 1.00 0.00 C ATOM 1398 O HIS A 88 1.537 3.624 -9.472 1.00 0.00 O ATOM 1399 CB HIS A 88 1.970 1.116 -7.761 1.00 0.00 C ATOM 1400 CG HIS A 88 1.758 1.523 -6.340 1.00 0.00 C ATOM 1401 ND1 HIS A 88 1.670 0.619 -5.303 1.00 0.00 N ATOM 1402 CD2 HIS A 88 1.605 2.745 -5.784 1.00 0.00 C ATOM 1403 CE1 HIS A 88 1.471 1.270 -4.172 1.00 0.00 C ATOM 1404 NE2 HIS A 88 1.428 2.562 -4.436 1.00 0.00 N ATOM 0 H HIS A 88 1.534 1.344 -10.633 1.00 0.00 H new ATOM 0 HA HIS A 88 -0.117 1.118 -8.209 1.00 0.00 H new ATOM 0 HB2 HIS A 88 2.135 0.039 -7.802 1.00 0.00 H new ATOM 0 HB3 HIS A 88 2.876 1.592 -8.136 1.00 0.00 H new ATOM 0 HD2 HIS A 88 1.619 3.691 -6.305 1.00 0.00 H new ATOM 0 HE1 HIS A 88 1.362 0.821 -3.196 1.00 0.00 H new ATOM 0 HE2 HIS A 88 1.286 3.303 -3.750 1.00 0.00 H new ATOM 1413 N GLY A 89 -0.401 3.548 -8.321 1.00 0.00 N ATOM 1414 CA GLY A 89 -0.671 4.974 -8.430 1.00 0.00 C ATOM 1415 C GLY A 89 0.560 5.866 -8.441 1.00 0.00 C ATOM 1416 O GLY A 89 0.835 6.538 -9.435 1.00 0.00 O ATOM 0 H GLY A 89 -1.111 3.026 -7.807 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.237 5.152 -9.344 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.309 5.272 -7.597 1.00 0.00 H new ATOM 1420 N LEU A 90 1.283 5.897 -7.330 1.00 0.00 N ATOM 1421 CA LEU A 90 2.463 6.742 -7.213 1.00 0.00 C ATOM 1422 C LEU A 90 3.663 5.953 -6.710 1.00 0.00 C ATOM 1423 O LEU A 90 3.526 4.839 -6.205 1.00 0.00 O ATOM 1424 CB LEU A 90 2.170 7.903 -6.257 1.00 0.00 C ATOM 1425 CG LEU A 90 2.982 9.181 -6.497 1.00 0.00 C ATOM 1426 CD1 LEU A 90 2.074 10.324 -6.930 1.00 0.00 C ATOM 1427 CD2 LEU A 90 3.758 9.560 -5.243 1.00 0.00 C ATOM 0 H LEU A 90 1.073 5.347 -6.497 1.00 0.00 H new ATOM 0 HA LEU A 90 2.704 7.128 -8.203 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.110 8.149 -6.327 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.352 7.565 -5.237 1.00 0.00 H new ATOM 0 HG LEU A 90 3.694 8.989 -7.300 1.00 0.00 H new ATOM 0 HD11 LEU A 90 2.671 11.221 -7.095 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.564 10.053 -7.854 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.336 10.517 -6.151 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.329 10.469 -5.430 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.062 9.731 -4.422 1.00 0.00 H new ATOM 0 HD23 LEU A 90 4.439 8.751 -4.978 1.00 0.00 H new ATOM 1439 N ARG A 91 4.841 6.544 -6.855 1.00 0.00 N ATOM 1440 CA ARG A 91 6.074 5.910 -6.418 1.00 0.00 C ATOM 1441 C ARG A 91 6.133 5.818 -4.894 1.00 0.00 C ATOM 1442 O ARG A 91 6.511 6.776 -4.220 1.00 0.00 O ATOM 1443 CB ARG A 91 7.278 6.694 -6.944 1.00 0.00 C ATOM 1444 CG ARG A 91 7.766 6.218 -8.304 1.00 0.00 C ATOM 1445 CD ARG A 91 8.766 7.191 -8.906 1.00 0.00 C ATOM 1446 NE ARG A 91 8.119 8.180 -9.766 1.00 0.00 N ATOM 1447 CZ ARG A 91 7.720 7.933 -11.010 1.00 0.00 C ATOM 1448 NH1 ARG A 91 7.897 6.730 -11.545 1.00 0.00 N ATOM 1449 NH2 ARG A 91 7.141 8.889 -11.724 1.00 0.00 N ATOM 0 H ARG A 91 4.967 7.465 -7.274 1.00 0.00 H new ATOM 0 HA ARG A 91 6.100 4.897 -6.820 1.00 0.00 H new ATOM 0 HB2 ARG A 91 7.013 7.749 -7.011 1.00 0.00 H new ATOM 0 HB3 ARG A 91 8.094 6.615 -6.226 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.227 5.236 -8.203 1.00 0.00 H new ATOM 0 HG3 ARG A 91 6.917 6.104 -8.977 1.00 0.00 H new ATOM 0 HD2 ARG A 91 9.302 7.702 -8.106 1.00 0.00 H new ATOM 0 HD3 ARG A 91 9.507 6.638 -9.483 1.00 0.00 H new ATOM 0 HE ARG A 91 7.964 9.115 -9.389 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.341 5.990 -11.001 1.00 0.00 H new ATOM 0 HH12 ARG A 91 7.589 6.546 -12.500 1.00 0.00 H new ATOM 0 HH21 ARG A 91 7.002 9.815 -11.319 1.00 0.00 H new ATOM 0 HH22 ARG A 91 6.835 8.699 -12.678 1.00 0.00 H new ATOM 1463 N LEU A 92 5.767 4.648 -4.365 1.00 0.00 N ATOM 1464 CA LEU A 92 5.781 4.395 -2.921 1.00 0.00 C ATOM 1465 C LEU A 92 6.985 5.064 -2.258 1.00 0.00 C ATOM 1466 O LEU A 92 8.059 5.137 -2.850 1.00 0.00 O ATOM 1467 CB LEU A 92 5.796 2.887 -2.681 1.00 0.00 C ATOM 1468 CG LEU A 92 4.432 2.201 -2.847 1.00 0.00 C ATOM 1469 CD1 LEU A 92 4.449 0.805 -2.246 1.00 0.00 C ATOM 1470 CD2 LEU A 92 3.319 3.035 -2.222 1.00 0.00 C ATOM 0 H LEU A 92 5.454 3.853 -4.922 1.00 0.00 H new ATOM 0 HA LEU A 92 4.885 4.824 -2.473 1.00 0.00 H new ATOM 0 HB2 LEU A 92 6.505 2.429 -3.371 1.00 0.00 H new ATOM 0 HB3 LEU A 92 6.164 2.696 -1.673 1.00 0.00 H new ATOM 0 HG LEU A 92 4.234 2.113 -3.915 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.472 0.341 -2.377 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.207 0.202 -2.747 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.681 0.869 -1.183 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.365 2.526 -2.354 1.00 0.00 H new ATOM 0 HD22 LEU A 92 3.516 3.166 -1.158 1.00 0.00 H new ATOM 0 HD23 LEU A 92 3.280 4.011 -2.706 1.00 0.00 H new ATOM 1482 N ALA A 93 6.809 5.579 -1.041 1.00 0.00 N ATOM 1483 CA ALA A 93 7.916 6.254 -0.365 1.00 0.00 C ATOM 1484 C ALA A 93 7.735 6.359 1.150 1.00 0.00 C ATOM 1485 O ALA A 93 8.301 5.566 1.904 1.00 0.00 O ATOM 1486 CB ALA A 93 8.118 7.639 -0.962 1.00 0.00 C ATOM 0 H ALA A 93 5.936 5.544 -0.515 1.00 0.00 H new ATOM 0 HA ALA A 93 8.801 5.638 -0.527 1.00 0.00 H new ATOM 0 HB1 ALA A 93 8.944 8.137 -0.454 1.00 0.00 H new ATOM 0 HB2 ALA A 93 8.347 7.548 -2.024 1.00 0.00 H new ATOM 0 HB3 ALA A 93 7.208 8.226 -0.836 1.00 0.00 H new ATOM 1492 N ALA A 94 6.978 7.360 1.598 1.00 0.00 N ATOM 1493 CA ALA A 94 6.774 7.583 3.025 1.00 0.00 C ATOM 1494 C ALA A 94 5.653 6.718 3.586 1.00 0.00 C ATOM 1495 O ALA A 94 4.898 6.104 2.839 1.00 0.00 O ATOM 1496 CB ALA A 94 6.485 9.053 3.289 1.00 0.00 C ATOM 0 H ALA A 94 6.498 8.027 0.994 1.00 0.00 H new ATOM 0 HA ALA A 94 7.693 7.296 3.535 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.334 9.208 4.357 1.00 0.00 H new ATOM 0 HB2 ALA A 94 7.327 9.656 2.950 1.00 0.00 H new ATOM 0 HB3 ALA A 94 5.586 9.350 2.749 1.00 0.00 H new ATOM 1502 N PRO A 95 5.540 6.662 4.925 1.00 0.00 N ATOM 1503 CA PRO A 95 4.521 5.877 5.608 1.00 0.00 C ATOM 1504 C PRO A 95 3.249 6.679 5.865 1.00 0.00 C ATOM 1505 O PRO A 95 3.292 7.904 5.983 1.00 0.00 O ATOM 1506 CB PRO A 95 5.211 5.545 6.923 1.00 0.00 C ATOM 1507 CG PRO A 95 6.036 6.753 7.222 1.00 0.00 C ATOM 1508 CD PRO A 95 6.412 7.362 5.889 1.00 0.00 C ATOM 0 HA PRO A 95 4.194 5.011 5.032 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.487 5.352 7.715 1.00 0.00 H new ATOM 0 HB3 PRO A 95 5.830 4.653 6.833 1.00 0.00 H new ATOM 0 HG2 PRO A 95 5.475 7.464 7.828 1.00 0.00 H new ATOM 0 HG3 PRO A 95 6.927 6.483 7.789 1.00 0.00 H new ATOM 0 HD2 PRO A 95 6.239 8.438 5.877 1.00 0.00 H new ATOM 0 HD3 PRO A 95 7.467 7.207 5.661 1.00 0.00 H new ATOM 1516 N CYS A 96 2.120 5.985 5.954 1.00 0.00 N ATOM 1517 CA CYS A 96 0.845 6.642 6.202 1.00 0.00 C ATOM 1518 C CYS A 96 0.876 7.409 7.523 1.00 0.00 C ATOM 1519 O CYS A 96 1.806 7.262 8.314 1.00 0.00 O ATOM 1520 CB CYS A 96 -0.291 5.615 6.214 1.00 0.00 C ATOM 1521 SG CYS A 96 -0.288 4.517 7.652 1.00 0.00 S ATOM 0 H CYS A 96 2.063 4.971 5.858 1.00 0.00 H new ATOM 0 HA CYS A 96 0.668 7.354 5.396 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -1.243 6.144 6.178 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -0.228 5.010 5.310 1.00 0.00 H new ATOM 0 HG CYS A 96 -1.287 3.690 7.568 1.00 0.00 H new ATOM 1527 N ARG A 97 -0.148 8.225 7.755 1.00 0.00 N ATOM 1528 CA ARG A 97 -0.234 9.012 8.980 1.00 0.00 C ATOM 1529 C ARG A 97 -1.647 9.546 9.187 1.00 0.00 C ATOM 1530 O ARG A 97 -2.331 9.910 8.230 1.00 0.00 O ATOM 1531 CB ARG A 97 0.764 10.171 8.937 1.00 0.00 C ATOM 1532 CG ARG A 97 2.167 9.783 9.370 1.00 0.00 C ATOM 1533 CD ARG A 97 2.836 10.896 10.161 1.00 0.00 C ATOM 1534 NE ARG A 97 4.289 10.752 10.188 1.00 0.00 N ATOM 1535 CZ ARG A 97 5.082 11.387 11.048 1.00 0.00 C ATOM 1536 NH1 ARG A 97 4.566 12.212 11.951 1.00 0.00 N ATOM 1537 NH2 ARG A 97 6.394 11.198 11.004 1.00 0.00 N ATOM 0 H ARG A 97 -0.928 8.358 7.112 1.00 0.00 H new ATOM 0 HA ARG A 97 0.013 8.361 9.819 1.00 0.00 H new ATOM 0 HB2 ARG A 97 0.803 10.568 7.923 1.00 0.00 H new ATOM 0 HB3 ARG A 97 0.403 10.974 9.580 1.00 0.00 H new ATOM 0 HG2 ARG A 97 2.124 8.879 9.978 1.00 0.00 H new ATOM 0 HG3 ARG A 97 2.768 9.548 8.491 1.00 0.00 H new ATOM 0 HD2 ARG A 97 2.575 11.859 9.723 1.00 0.00 H new ATOM 0 HD3 ARG A 97 2.453 10.896 11.181 1.00 0.00 H new ATOM 0 HE ARG A 97 4.722 10.128 9.507 1.00 0.00 H new ATOM 0 HH11 ARG A 97 3.558 12.362 11.988 1.00 0.00 H new ATOM 0 HH12 ARG A 97 5.178 12.696 12.608 1.00 0.00 H new ATOM 0 HH21 ARG A 97 6.795 10.566 10.311 1.00 0.00 H new ATOM 0 HH22 ARG A 97 7.002 11.685 11.663 1.00 0.00 H new ATOM 1551 N LYS A 98 -2.078 9.592 10.443 1.00 0.00 N ATOM 1552 CA LYS A 98 -3.410 10.083 10.778 1.00 0.00 C ATOM 1553 C LYS A 98 -3.342 11.500 11.338 1.00 0.00 C ATOM 1554 O LYS A 98 -2.258 12.033 11.576 1.00 0.00 O ATOM 1555 CB LYS A 98 -4.079 9.152 11.792 1.00 0.00 C ATOM 1556 CG LYS A 98 -4.957 8.088 11.154 1.00 0.00 C ATOM 1557 CD LYS A 98 -6.232 8.688 10.582 1.00 0.00 C ATOM 1558 CE LYS A 98 -7.317 8.802 11.639 1.00 0.00 C ATOM 1559 NZ LYS A 98 -8.672 8.539 11.077 1.00 0.00 N ATOM 0 H LYS A 98 -1.524 9.295 11.246 1.00 0.00 H new ATOM 0 HA LYS A 98 -4.004 10.101 9.865 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -3.308 8.665 12.389 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -4.683 9.748 12.476 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -4.403 7.585 10.362 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -5.211 7.331 11.896 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -6.018 9.675 10.171 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -6.589 8.070 9.758 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -7.115 8.096 12.444 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -7.293 9.800 12.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -9.383 8.627 11.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -8.876 9.229 10.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -8.703 7.578 10.682 1.00 0.00 H new ATOM 1573 N HIS A 99 -4.507 12.105 11.545 1.00 0.00 N ATOM 1574 CA HIS A 99 -4.578 13.461 12.077 1.00 0.00 C ATOM 1575 C HIS A 99 -4.042 13.517 13.503 1.00 0.00 C ATOM 1576 O HIS A 99 -3.456 14.517 13.918 1.00 0.00 O ATOM 1577 CB HIS A 99 -6.021 13.968 12.043 1.00 0.00 C ATOM 1578 CG HIS A 99 -6.619 13.982 10.670 1.00 0.00 C ATOM 1579 ND1 HIS A 99 -6.034 14.625 9.601 1.00 0.00 N ATOM 1580 CD2 HIS A 99 -7.758 13.424 10.194 1.00 0.00 C ATOM 1581 CE1 HIS A 99 -6.786 14.464 8.527 1.00 0.00 C ATOM 1582 NE2 HIS A 99 -7.838 13.738 8.860 1.00 0.00 N ATOM 0 H HIS A 99 -5.413 11.679 11.353 1.00 0.00 H new ATOM 0 HA HIS A 99 -3.958 14.102 11.451 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -6.633 13.340 12.691 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -6.053 14.977 12.454 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -5.157 15.144 9.634 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -8.470 12.841 10.759 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -6.576 14.859 7.544 1.00 0.00 H new ATOM 1591 N GLU A 100 -4.245 12.435 14.249 1.00 0.00 N ATOM 1592 CA GLU A 100 -3.781 12.361 15.629 1.00 0.00 C ATOM 1593 C GLU A 100 -2.259 12.279 15.688 1.00 0.00 C ATOM 1594 O GLU A 100 -1.686 11.412 14.996 1.00 0.00 O ATOM 1595 CB GLU A 100 -4.395 11.148 16.331 1.00 0.00 C ATOM 1596 CG GLU A 100 -4.117 9.831 15.625 1.00 0.00 C ATOM 1597 CD GLU A 100 -3.059 9.004 16.328 1.00 0.00 C ATOM 1598 OE1 GLU A 100 -1.979 9.555 16.629 1.00 0.00 O ATOM 1599 OE2 GLU A 100 -3.309 7.806 16.576 1.00 0.00 O ATOM 1600 OXT GLU A 100 -1.653 13.085 16.426 1.00 0.00 O ATOM 0 H GLU A 100 -4.727 11.598 13.921 1.00 0.00 H new ATOM 0 HA GLU A 100 -4.098 13.269 16.142 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -4.009 11.094 17.349 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -5.473 11.290 16.407 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -5.040 9.255 15.562 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -3.796 10.032 14.603 1.00 0.00 H new TER 1607 GLU A 100