USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 844 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 Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0264 USER MOD Single : A 8 GLN : amide:sc= 0.123 X(o=0.12,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS : no HD1:sc= -2.87! C(o=-2.9!,f=-4.6!) USER MOD Single : A 13 THR OG1 : rot -41:sc= -0.151! USER MOD Single : A 15 THR OG1 : rot 26:sc= 0.236 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -157:sc= -1.73 (180deg=-2.16!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.314 X(o=-0.31,f=-0.053) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -2.38 K(o=-2.4,f=-4.8!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.44 X(o=-0.44,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 155:sc= -0.0376 (180deg=-0.362) USER MOD Single : A 51 ASN : amide:sc= -1.51 K(o=-1.5,f=-7.6!) USER MOD Single : A 55 SER OG : rot 51:sc= 0.171 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.25 K(o=-0.25,f=-1.2) USER MOD Single : A 60 SER OG : rot 29:sc= 0.173 USER MOD Single : A 61 THR OG1 : rot 86:sc= 0.998 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 40:sc= 0.68 USER MOD Single : A 70 ASN : amide:sc= -2.21 K(o=-2.2,f=-6!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 HIS : no HD1:sc= -0.124 X(o=-0.12,f=-0.38) USER MOD Single : A 78 TYR OH : rot 51:sc= 1.23 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 55:sc= 0.408 USER MOD Single : A 85 ASN : amide:sc= -0.634 X(o=-0.63,f=-0.19) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.00203 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -0.029 X(o=-0.029,f=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 HIS : no HD1:sc= -0.455 X(o=-0.46,f=-0.099) USER MOD ----------------------------------------------------------------- ATOM 37 N ASN A 3 -7.837 11.047 -0.735 1.00 0.00 N ATOM 38 CA ASN A 3 -8.617 10.335 -1.798 1.00 0.00 C ATOM 39 C ASN A 3 -7.893 9.049 -2.214 1.00 0.00 C ATOM 40 O ASN A 3 -6.742 8.839 -1.875 1.00 0.00 O ATOM 41 CB ASN A 3 -8.770 11.252 -3.014 1.00 0.00 C ATOM 42 CG ASN A 3 -9.936 12.215 -2.784 1.00 0.00 C ATOM 43 OD1 ASN A 3 -9.730 13.388 -2.544 1.00 0.00 O ATOM 44 ND2 ASN A 3 -11.160 11.767 -2.848 1.00 0.00 N ATOM 0 HA ASN A 3 -9.600 10.076 -1.406 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -7.849 11.812 -3.179 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -8.947 10.658 -3.911 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -11.944 12.402 -2.697 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -11.333 10.782 -3.050 1.00 0.00 H new ATOM 51 N TRP A 4 -8.580 8.196 -2.947 1.00 0.00 N ATOM 52 CA TRP A 4 -7.983 6.901 -3.413 1.00 0.00 C ATOM 53 C TRP A 4 -6.773 7.180 -4.317 1.00 0.00 C ATOM 54 O TRP A 4 -5.869 6.367 -4.409 1.00 0.00 O ATOM 55 CB TRP A 4 -9.071 6.125 -4.175 1.00 0.00 C ATOM 56 CG TRP A 4 -8.543 4.888 -4.854 1.00 0.00 C ATOM 57 CD1 TRP A 4 -9.002 4.413 -6.037 1.00 0.00 C ATOM 58 CD2 TRP A 4 -7.504 3.957 -4.423 1.00 0.00 C ATOM 59 NE1 TRP A 4 -8.316 3.261 -6.359 1.00 0.00 N ATOM 60 CE2 TRP A 4 -7.383 2.936 -5.399 1.00 0.00 C ATOM 61 CE3 TRP A 4 -6.666 3.894 -3.299 1.00 0.00 C ATOM 62 CZ2 TRP A 4 -6.463 1.896 -5.262 1.00 0.00 C ATOM 63 CZ3 TRP A 4 -5.739 2.848 -3.157 1.00 0.00 C ATOM 64 CH2 TRP A 4 -5.641 1.851 -4.136 1.00 0.00 C ATOM 0 H TRP A 4 -9.544 8.348 -3.245 1.00 0.00 H new ATOM 0 HA TRP A 4 -7.635 6.309 -2.566 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -9.862 5.842 -3.481 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -9.521 6.779 -4.922 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -9.781 4.865 -6.633 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -8.480 2.716 -7.205 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -6.734 4.656 -2.537 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -6.388 1.132 -6.022 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -5.098 2.812 -2.288 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -4.929 1.047 -4.019 1.00 0.00 H new ATOM 75 N GLU A 5 -6.760 8.320 -4.978 1.00 0.00 N ATOM 76 CA GLU A 5 -5.616 8.672 -5.878 1.00 0.00 C ATOM 77 C GLU A 5 -4.359 8.888 -5.035 1.00 0.00 C ATOM 78 O GLU A 5 -3.351 8.231 -5.242 1.00 0.00 O ATOM 79 CB GLU A 5 -5.947 9.949 -6.651 1.00 0.00 C ATOM 80 CG GLU A 5 -6.677 9.585 -7.946 1.00 0.00 C ATOM 81 CD GLU A 5 -8.113 9.170 -7.623 1.00 0.00 C ATOM 82 OE1 GLU A 5 -8.821 9.969 -7.031 1.00 0.00 O ATOM 83 OE2 GLU A 5 -8.482 8.061 -7.974 1.00 0.00 O ATOM 0 H GLU A 5 -7.498 9.022 -4.930 1.00 0.00 H new ATOM 0 HA GLU A 5 -5.443 7.861 -6.585 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -6.569 10.605 -6.042 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -5.033 10.497 -6.878 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.678 10.436 -8.627 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.157 8.772 -8.453 1.00 0.00 H new ATOM 90 N THR A 6 -4.422 9.798 -4.083 1.00 0.00 N ATOM 91 CA THR A 6 -3.244 10.073 -3.199 1.00 0.00 C ATOM 92 C THR A 6 -2.885 8.793 -2.437 1.00 0.00 C ATOM 93 O THR A 6 -1.721 8.456 -2.295 1.00 0.00 O ATOM 94 CB THR A 6 -3.593 11.188 -2.205 1.00 0.00 C ATOM 95 OG1 THR A 6 -4.379 12.178 -2.855 1.00 0.00 O ATOM 96 CG2 THR A 6 -2.306 11.823 -1.677 1.00 0.00 C ATOM 0 H THR A 6 -5.247 10.364 -3.883 1.00 0.00 H new ATOM 0 HA THR A 6 -2.395 10.391 -3.804 1.00 0.00 H new ATOM 0 HB THR A 6 -4.158 10.767 -1.373 1.00 0.00 H new ATOM 0 HG1 THR A 6 -4.602 12.889 -2.218 1.00 0.00 H new ATOM 0 HG21 THR A 6 -2.554 12.615 -0.971 1.00 0.00 H new ATOM 0 HG22 THR A 6 -1.705 11.064 -1.175 1.00 0.00 H new ATOM 0 HG23 THR A 6 -1.740 12.243 -2.508 1.00 0.00 H new ATOM 104 N PHE A 7 -3.888 8.079 -1.965 1.00 0.00 N ATOM 105 CA PHE A 7 -3.649 6.802 -1.221 1.00 0.00 C ATOM 106 C PHE A 7 -3.019 5.771 -2.166 1.00 0.00 C ATOM 107 O PHE A 7 -2.363 4.843 -1.729 1.00 0.00 O ATOM 108 CB PHE A 7 -4.986 6.269 -0.695 1.00 0.00 C ATOM 109 CG PHE A 7 -4.756 5.051 0.175 1.00 0.00 C ATOM 110 CD1 PHE A 7 -3.824 5.095 1.219 1.00 0.00 C ATOM 111 CD2 PHE A 7 -5.480 3.875 -0.062 1.00 0.00 C ATOM 112 CE1 PHE A 7 -3.618 3.966 2.021 1.00 0.00 C ATOM 113 CE2 PHE A 7 -5.272 2.749 0.738 1.00 0.00 C ATOM 114 CZ PHE A 7 -4.342 2.794 1.781 1.00 0.00 C ATOM 0 H PHE A 7 -4.870 8.334 -2.067 1.00 0.00 H new ATOM 0 HA PHE A 7 -2.974 6.983 -0.385 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -5.495 7.044 -0.122 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -5.637 6.011 -1.530 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -3.264 6.000 1.406 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -6.201 3.839 -0.865 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -2.899 4.000 2.826 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -5.830 1.843 0.551 1.00 0.00 H new ATOM 0 HZ PHE A 7 -4.183 1.924 2.401 1.00 0.00 H new ATOM 124 N GLN A 8 -3.224 5.935 -3.460 1.00 0.00 N ATOM 125 CA GLN A 8 -2.657 4.986 -4.467 1.00 0.00 C ATOM 126 C GLN A 8 -1.146 5.217 -4.603 1.00 0.00 C ATOM 127 O GLN A 8 -0.361 4.288 -4.545 1.00 0.00 O ATOM 128 CB GLN A 8 -3.337 5.246 -5.822 1.00 0.00 C ATOM 129 CG GLN A 8 -4.117 4.009 -6.270 1.00 0.00 C ATOM 130 CD GLN A 8 -4.721 4.269 -7.652 1.00 0.00 C ATOM 131 OE1 GLN A 8 -4.064 4.087 -8.658 1.00 0.00 O ATOM 132 NE2 GLN A 8 -5.954 4.692 -7.745 1.00 0.00 N ATOM 0 H GLN A 8 -3.769 6.699 -3.859 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.833 3.959 -4.148 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -4.010 6.099 -5.741 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -2.587 5.502 -6.570 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -3.458 3.142 -6.305 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -4.905 3.781 -5.552 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -6.506 4.845 -6.901 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -6.365 4.869 -8.662 1.00 0.00 H new ATOM 141 N LYS A 9 -0.750 6.451 -4.810 1.00 0.00 N ATOM 142 CA LYS A 9 0.699 6.782 -4.990 1.00 0.00 C ATOM 143 C LYS A 9 1.520 6.396 -3.753 1.00 0.00 C ATOM 144 O LYS A 9 2.654 5.962 -3.883 1.00 0.00 O ATOM 145 CB LYS A 9 0.843 8.285 -5.240 1.00 0.00 C ATOM 146 CG LYS A 9 0.717 8.571 -6.739 1.00 0.00 C ATOM 147 CD LYS A 9 -0.760 8.736 -7.099 1.00 0.00 C ATOM 148 CE LYS A 9 -0.889 9.160 -8.564 1.00 0.00 C ATOM 149 NZ LYS A 9 -0.680 7.978 -9.445 1.00 0.00 N ATOM 0 H LYS A 9 -1.378 7.253 -4.862 1.00 0.00 H new ATOM 0 HA LYS A 9 1.076 6.214 -5.841 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.076 8.830 -4.690 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.808 8.634 -4.873 1.00 0.00 H new ATOM 0 HG2 LYS A 9 1.269 9.475 -6.996 1.00 0.00 H new ATOM 0 HG3 LYS A 9 1.155 7.755 -7.315 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.292 7.799 -6.933 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.221 9.483 -6.452 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -1.874 9.591 -8.743 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.156 9.933 -8.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -0.768 8.267 -10.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 0.269 7.586 -9.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -1.395 7.254 -9.230 1.00 0.00 H new ATOM 163 N LYS A 10 0.983 6.589 -2.565 1.00 0.00 N ATOM 164 CA LYS A 10 1.757 6.277 -1.313 1.00 0.00 C ATOM 165 C LYS A 10 1.649 4.801 -0.892 1.00 0.00 C ATOM 166 O LYS A 10 2.539 4.299 -0.222 1.00 0.00 O ATOM 167 CB LYS A 10 1.256 7.148 -0.157 1.00 0.00 C ATOM 168 CG LYS A 10 1.142 8.608 -0.608 1.00 0.00 C ATOM 169 CD LYS A 10 0.499 9.437 0.506 1.00 0.00 C ATOM 170 CE LYS A 10 1.591 10.003 1.416 1.00 0.00 C ATOM 171 NZ LYS A 10 1.102 11.254 2.059 1.00 0.00 N ATOM 0 H LYS A 10 0.042 6.949 -2.409 1.00 0.00 H new ATOM 0 HA LYS A 10 2.803 6.487 -1.538 1.00 0.00 H new ATOM 0 HB2 LYS A 10 0.286 6.788 0.185 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.940 7.073 0.688 1.00 0.00 H new ATOM 0 HG2 LYS A 10 2.129 9.004 -0.847 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.543 8.674 -1.517 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.089 10.249 0.077 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.187 8.818 1.085 1.00 0.00 H new ATOM 0 HE2 LYS A 10 1.860 9.271 2.178 1.00 0.00 H new ATOM 0 HE3 LYS A 10 2.492 10.207 0.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 1.844 11.639 2.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 0.866 11.952 1.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 0.254 11.045 2.624 1.00 0.00 H new ATOM 185 N HIS A 11 0.565 4.118 -1.219 1.00 0.00 N ATOM 186 CA HIS A 11 0.409 2.690 -0.762 1.00 0.00 C ATOM 187 C HIS A 11 0.409 1.683 -1.923 1.00 0.00 C ATOM 188 O HIS A 11 0.231 0.499 -1.693 1.00 0.00 O ATOM 189 CB HIS A 11 -0.896 2.556 0.024 1.00 0.00 C ATOM 190 CG HIS A 11 -0.653 2.940 1.457 1.00 0.00 C ATOM 191 ND1 HIS A 11 -0.759 4.250 1.900 1.00 0.00 N ATOM 192 CD2 HIS A 11 -0.295 2.201 2.557 1.00 0.00 C ATOM 193 CE1 HIS A 11 -0.468 4.258 3.215 1.00 0.00 C ATOM 194 NE2 HIS A 11 -0.179 3.034 3.665 1.00 0.00 N ATOM 0 H HIS A 11 -0.208 4.483 -1.775 1.00 0.00 H new ATOM 0 HA HIS A 11 1.270 2.455 -0.136 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -1.664 3.196 -0.411 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -1.265 1.532 -0.033 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -0.129 1.134 2.562 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -0.468 5.146 3.830 1.00 0.00 H new ATOM 0 HE2 HIS A 11 0.073 2.767 4.617 1.00 0.00 H new ATOM 202 N LEU A 12 0.622 2.123 -3.148 1.00 0.00 N ATOM 203 CA LEU A 12 0.651 1.170 -4.306 1.00 0.00 C ATOM 204 C LEU A 12 1.874 1.453 -5.179 1.00 0.00 C ATOM 205 O LEU A 12 2.420 2.543 -5.160 1.00 0.00 O ATOM 206 CB LEU A 12 -0.627 1.310 -5.140 1.00 0.00 C ATOM 207 CG LEU A 12 -1.605 0.191 -4.776 1.00 0.00 C ATOM 208 CD1 LEU A 12 -2.350 0.565 -3.493 1.00 0.00 C ATOM 209 CD2 LEU A 12 -2.611 0.013 -5.915 1.00 0.00 C ATOM 0 H LEU A 12 0.777 3.101 -3.392 1.00 0.00 H new ATOM 0 HA LEU A 12 0.711 0.151 -3.923 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.087 2.281 -4.958 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.386 1.265 -6.202 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.058 -0.739 -4.620 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.047 -0.231 -3.232 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.634 0.700 -2.683 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.900 1.493 -3.649 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.311 -0.783 -5.661 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.159 0.943 -6.065 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.081 -0.248 -6.831 1.00 0.00 H new ATOM 221 N THR A 13 2.306 0.462 -5.931 1.00 0.00 N ATOM 222 CA THR A 13 3.504 0.625 -6.812 1.00 0.00 C ATOM 223 C THR A 13 3.285 -0.116 -8.132 1.00 0.00 C ATOM 224 O THR A 13 2.396 -0.943 -8.247 1.00 0.00 O ATOM 225 CB THR A 13 4.724 0.028 -6.110 1.00 0.00 C ATOM 226 OG1 THR A 13 4.741 0.446 -4.753 1.00 0.00 O ATOM 227 CG2 THR A 13 6.002 0.496 -6.806 1.00 0.00 C ATOM 0 H THR A 13 1.872 -0.460 -5.969 1.00 0.00 H new ATOM 0 HA THR A 13 3.661 1.685 -7.011 1.00 0.00 H new ATOM 0 HB THR A 13 4.669 -1.060 -6.155 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.486 1.391 -4.698 1.00 0.00 H new ATOM 0 HG21 THR A 13 6.868 0.068 -6.302 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.990 0.171 -7.846 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.060 1.584 -6.767 1.00 0.00 H new ATOM 235 N ASP A 14 4.111 0.172 -9.115 1.00 0.00 N ATOM 236 CA ASP A 14 4.004 -0.503 -10.442 1.00 0.00 C ATOM 237 C ASP A 14 5.080 -1.588 -10.529 1.00 0.00 C ATOM 238 O ASP A 14 4.868 -2.636 -11.118 1.00 0.00 O ATOM 239 CB ASP A 14 4.222 0.524 -11.555 1.00 0.00 C ATOM 240 CG ASP A 14 3.054 1.510 -11.574 1.00 0.00 C ATOM 241 OD1 ASP A 14 2.939 2.278 -10.633 1.00 0.00 O ATOM 242 OD2 ASP A 14 2.293 1.478 -12.525 1.00 0.00 O ATOM 0 H ASP A 14 4.864 0.857 -9.047 1.00 0.00 H new ATOM 0 HA ASP A 14 3.016 -0.950 -10.555 1.00 0.00 H new ATOM 0 HB2 ASP A 14 5.159 1.057 -11.394 1.00 0.00 H new ATOM 0 HB3 ASP A 14 4.303 0.021 -12.518 1.00 0.00 H new ATOM 247 N THR A 15 6.228 -1.333 -9.935 1.00 0.00 N ATOM 248 CA THR A 15 7.351 -2.323 -9.952 1.00 0.00 C ATOM 249 C THR A 15 7.357 -3.108 -8.638 1.00 0.00 C ATOM 250 O THR A 15 7.286 -2.532 -7.564 1.00 0.00 O ATOM 251 CB THR A 15 8.681 -1.580 -10.119 1.00 0.00 C ATOM 252 OG1 THR A 15 8.905 -0.748 -8.988 1.00 0.00 O ATOM 253 CG2 THR A 15 8.632 -0.718 -11.384 1.00 0.00 C ATOM 0 H THR A 15 6.433 -0.469 -9.434 1.00 0.00 H new ATOM 0 HA THR A 15 7.218 -3.015 -10.784 1.00 0.00 H new ATOM 0 HB THR A 15 9.491 -2.304 -10.205 1.00 0.00 H new ATOM 0 HG1 THR A 15 8.428 -1.113 -8.214 1.00 0.00 H new ATOM 0 HG21 THR A 15 9.578 -0.190 -11.502 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.462 -1.355 -12.252 1.00 0.00 H new ATOM 0 HG23 THR A 15 7.821 0.006 -11.300 1.00 0.00 H new ATOM 261 N ARG A 16 7.432 -4.420 -8.728 1.00 0.00 N ATOM 262 CA ARG A 16 7.436 -5.282 -7.504 1.00 0.00 C ATOM 263 C ARG A 16 8.745 -5.083 -6.731 1.00 0.00 C ATOM 264 O ARG A 16 8.775 -5.204 -5.517 1.00 0.00 O ATOM 265 CB ARG A 16 7.296 -6.756 -7.913 1.00 0.00 C ATOM 266 CG ARG A 16 8.440 -7.145 -8.857 1.00 0.00 C ATOM 267 CD ARG A 16 8.399 -8.650 -9.138 1.00 0.00 C ATOM 268 NE ARG A 16 8.479 -8.877 -10.608 1.00 0.00 N ATOM 269 CZ ARG A 16 7.854 -9.887 -11.151 1.00 0.00 C ATOM 270 NH1 ARG A 16 8.032 -11.093 -10.684 1.00 0.00 N ATOM 271 NH2 ARG A 16 7.051 -9.690 -12.159 1.00 0.00 N ATOM 0 H ARG A 16 7.491 -4.932 -9.608 1.00 0.00 H new ATOM 0 HA ARG A 16 6.598 -5.002 -6.865 1.00 0.00 H new ATOM 0 HB2 ARG A 16 7.311 -7.391 -7.028 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.336 -6.917 -8.404 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.356 -6.590 -9.791 1.00 0.00 H new ATOM 0 HG3 ARG A 16 9.398 -6.876 -8.411 1.00 0.00 H new ATOM 0 HD2 ARG A 16 9.228 -9.148 -8.636 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.480 -9.081 -8.741 1.00 0.00 H new ATOM 0 HE ARG A 16 9.023 -8.242 -11.192 1.00 0.00 H new ATOM 0 HH11 ARG A 16 8.659 -11.247 -9.895 1.00 0.00 H new ATOM 0 HH12 ARG A 16 7.544 -11.881 -11.108 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.911 -8.747 -12.523 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.563 -10.478 -12.584 1.00 0.00 H new ATOM 285 N ASP A 17 9.819 -4.786 -7.436 1.00 0.00 N ATOM 286 CA ASP A 17 11.145 -4.580 -6.770 1.00 0.00 C ATOM 287 C ASP A 17 11.407 -3.073 -6.590 1.00 0.00 C ATOM 288 O ASP A 17 12.462 -2.558 -6.943 1.00 0.00 O ATOM 289 CB ASP A 17 12.246 -5.227 -7.627 1.00 0.00 C ATOM 290 CG ASP A 17 13.516 -5.387 -6.789 1.00 0.00 C ATOM 291 OD1 ASP A 17 13.583 -6.336 -6.024 1.00 0.00 O ATOM 292 OD2 ASP A 17 14.401 -4.558 -6.925 1.00 0.00 O ATOM 0 H ASP A 17 9.829 -4.678 -8.450 1.00 0.00 H new ATOM 0 HA ASP A 17 11.144 -5.048 -5.785 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.914 -6.199 -7.992 1.00 0.00 H new ATOM 0 HB3 ASP A 17 12.450 -4.610 -8.502 1.00 0.00 H new ATOM 297 N VAL A 18 10.445 -2.367 -6.028 1.00 0.00 N ATOM 298 CA VAL A 18 10.590 -0.891 -5.792 1.00 0.00 C ATOM 299 C VAL A 18 11.890 -0.616 -5.014 1.00 0.00 C ATOM 300 O VAL A 18 12.440 -1.506 -4.385 1.00 0.00 O ATOM 301 CB VAL A 18 9.371 -0.387 -4.997 1.00 0.00 C ATOM 302 CG1 VAL A 18 9.345 -1.024 -3.606 1.00 0.00 C ATOM 303 CG2 VAL A 18 9.433 1.135 -4.850 1.00 0.00 C ATOM 0 H VAL A 18 9.555 -2.759 -5.720 1.00 0.00 H new ATOM 0 HA VAL A 18 10.638 -0.365 -6.745 1.00 0.00 H new ATOM 0 HB VAL A 18 8.467 -0.665 -5.539 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.478 -0.659 -3.055 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.283 -2.108 -3.703 1.00 0.00 H new ATOM 0 HG13 VAL A 18 10.255 -0.759 -3.068 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.567 1.482 -4.286 1.00 0.00 H new ATOM 0 HG22 VAL A 18 10.345 1.413 -4.321 1.00 0.00 H new ATOM 0 HG23 VAL A 18 9.432 1.596 -5.838 1.00 0.00 H new ATOM 313 N LYS A 19 12.369 0.609 -5.061 1.00 0.00 N ATOM 314 CA LYS A 19 13.628 0.976 -4.337 1.00 0.00 C ATOM 315 C LYS A 19 13.277 1.830 -3.120 1.00 0.00 C ATOM 316 O LYS A 19 12.989 3.009 -3.243 1.00 0.00 O ATOM 317 CB LYS A 19 14.543 1.767 -5.272 1.00 0.00 C ATOM 318 CG LYS A 19 15.006 0.869 -6.419 1.00 0.00 C ATOM 319 CD LYS A 19 15.963 -0.191 -5.874 1.00 0.00 C ATOM 320 CE LYS A 19 16.859 -0.703 -7.002 1.00 0.00 C ATOM 321 NZ LYS A 19 18.226 -0.959 -6.466 1.00 0.00 N ATOM 0 H LYS A 19 11.935 1.375 -5.576 1.00 0.00 H new ATOM 0 HA LYS A 19 14.141 0.071 -4.012 1.00 0.00 H new ATOM 0 HB2 LYS A 19 14.014 2.634 -5.667 1.00 0.00 H new ATOM 0 HB3 LYS A 19 15.405 2.143 -4.721 1.00 0.00 H new ATOM 0 HG2 LYS A 19 14.148 0.392 -6.892 1.00 0.00 H new ATOM 0 HG3 LYS A 19 15.502 1.465 -7.185 1.00 0.00 H new ATOM 0 HD2 LYS A 19 16.573 0.231 -5.075 1.00 0.00 H new ATOM 0 HD3 LYS A 19 15.398 -1.017 -5.441 1.00 0.00 H new ATOM 0 HE2 LYS A 19 16.444 -1.618 -7.425 1.00 0.00 H new ATOM 0 HE3 LYS A 19 16.903 0.029 -7.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 18.839 -1.308 -7.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 18.619 -0.076 -6.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 18.175 -1.672 -5.711 1.00 0.00 H new ATOM 335 N CYS A 20 13.294 1.232 -1.950 1.00 0.00 N ATOM 336 CA CYS A 20 12.954 1.969 -0.692 1.00 0.00 C ATOM 337 C CYS A 20 13.823 3.225 -0.543 1.00 0.00 C ATOM 338 O CYS A 20 13.311 4.315 -0.385 1.00 0.00 O ATOM 339 CB CYS A 20 13.187 1.051 0.510 1.00 0.00 C ATOM 340 SG CYS A 20 11.996 -0.312 0.467 1.00 0.00 S ATOM 0 H CYS A 20 13.533 0.250 -1.814 1.00 0.00 H new ATOM 0 HA CYS A 20 11.908 2.272 -0.739 1.00 0.00 H new ATOM 0 HB2 CYS A 20 14.204 0.660 0.491 1.00 0.00 H new ATOM 0 HB3 CYS A 20 13.079 1.614 1.437 1.00 0.00 H new ATOM 345 N ASP A 21 15.128 3.068 -0.573 1.00 0.00 N ATOM 346 CA ASP A 21 16.057 4.235 -0.406 1.00 0.00 C ATOM 347 C ASP A 21 15.840 5.286 -1.504 1.00 0.00 C ATOM 348 O ASP A 21 15.868 6.477 -1.231 1.00 0.00 O ATOM 349 CB ASP A 21 17.503 3.737 -0.474 1.00 0.00 C ATOM 350 CG ASP A 21 17.908 3.140 0.876 1.00 0.00 C ATOM 351 OD1 ASP A 21 17.160 2.326 1.391 1.00 0.00 O ATOM 352 OD2 ASP A 21 18.963 3.505 1.368 1.00 0.00 O ATOM 0 H ASP A 21 15.594 2.171 -0.708 1.00 0.00 H new ATOM 0 HA ASP A 21 15.853 4.699 0.559 1.00 0.00 H new ATOM 0 HB2 ASP A 21 17.603 2.987 -1.259 1.00 0.00 H new ATOM 0 HB3 ASP A 21 18.169 4.560 -0.733 1.00 0.00 H new ATOM 357 N ALA A 22 15.649 4.859 -2.737 1.00 0.00 N ATOM 358 CA ALA A 22 15.467 5.824 -3.873 1.00 0.00 C ATOM 359 C ALA A 22 14.060 6.425 -3.869 1.00 0.00 C ATOM 360 O ALA A 22 13.872 7.553 -4.297 1.00 0.00 O ATOM 361 CB ALA A 22 15.693 5.098 -5.198 1.00 0.00 C ATOM 0 H ALA A 22 15.612 3.875 -3.004 1.00 0.00 H new ATOM 0 HA ALA A 22 16.190 6.630 -3.753 1.00 0.00 H new ATOM 0 HB1 ALA A 22 15.561 5.798 -6.023 1.00 0.00 H new ATOM 0 HB2 ALA A 22 16.705 4.694 -5.223 1.00 0.00 H new ATOM 0 HB3 ALA A 22 14.974 4.284 -5.294 1.00 0.00 H new ATOM 367 N GLU A 23 13.075 5.681 -3.413 1.00 0.00 N ATOM 368 CA GLU A 23 11.666 6.200 -3.403 1.00 0.00 C ATOM 369 C GLU A 23 11.400 7.003 -2.125 1.00 0.00 C ATOM 370 O GLU A 23 10.822 8.076 -2.175 1.00 0.00 O ATOM 371 CB GLU A 23 10.683 5.025 -3.482 1.00 0.00 C ATOM 372 CG GLU A 23 9.535 5.375 -4.432 1.00 0.00 C ATOM 373 CD GLU A 23 8.445 6.128 -3.667 1.00 0.00 C ATOM 374 OE1 GLU A 23 7.569 5.473 -3.127 1.00 0.00 O ATOM 375 OE2 GLU A 23 8.505 7.346 -3.634 1.00 0.00 O ATOM 0 H GLU A 23 13.187 4.736 -3.047 1.00 0.00 H new ATOM 0 HA GLU A 23 11.528 6.853 -4.265 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.198 4.131 -3.833 1.00 0.00 H new ATOM 0 HB3 GLU A 23 10.291 4.799 -2.490 1.00 0.00 H new ATOM 0 HG2 GLU A 23 9.905 5.987 -5.255 1.00 0.00 H new ATOM 0 HG3 GLU A 23 9.123 4.466 -4.871 1.00 0.00 H new ATOM 382 N MET A 24 11.806 6.477 -0.991 1.00 0.00 N ATOM 383 CA MET A 24 11.577 7.177 0.315 1.00 0.00 C ATOM 384 C MET A 24 12.308 8.520 0.333 1.00 0.00 C ATOM 385 O MET A 24 11.767 9.512 0.793 1.00 0.00 O ATOM 386 CB MET A 24 12.084 6.301 1.464 1.00 0.00 C ATOM 387 CG MET A 24 11.197 6.496 2.699 1.00 0.00 C ATOM 388 SD MET A 24 10.535 4.894 3.225 1.00 0.00 S ATOM 389 CE MET A 24 9.761 4.429 1.655 1.00 0.00 C ATOM 0 H MET A 24 12.291 5.583 -0.915 1.00 0.00 H new ATOM 0 HA MET A 24 10.509 7.356 0.436 1.00 0.00 H new ATOM 0 HB2 MET A 24 12.079 5.253 1.164 1.00 0.00 H new ATOM 0 HB3 MET A 24 13.116 6.559 1.702 1.00 0.00 H new ATOM 0 HG2 MET A 24 11.774 6.946 3.507 1.00 0.00 H new ATOM 0 HG3 MET A 24 10.381 7.181 2.470 1.00 0.00 H new ATOM 0 HE1 MET A 24 8.970 3.703 1.840 1.00 0.00 H new ATOM 0 HE2 MET A 24 9.337 5.315 1.182 1.00 0.00 H new ATOM 0 HE3 MET A 24 10.510 3.989 0.996 1.00 0.00 H new ATOM 399 N LYS A 25 13.532 8.555 -0.156 1.00 0.00 N ATOM 400 CA LYS A 25 14.319 9.833 -0.168 1.00 0.00 C ATOM 401 C LYS A 25 13.537 10.933 -0.904 1.00 0.00 C ATOM 402 O LYS A 25 13.740 12.111 -0.662 1.00 0.00 O ATOM 403 CB LYS A 25 15.669 9.602 -0.859 1.00 0.00 C ATOM 404 CG LYS A 25 15.455 9.183 -2.318 1.00 0.00 C ATOM 405 CD LYS A 25 16.804 9.162 -3.043 1.00 0.00 C ATOM 406 CE LYS A 25 16.613 9.633 -4.487 1.00 0.00 C ATOM 407 NZ LYS A 25 17.606 8.958 -5.368 1.00 0.00 N ATOM 0 H LYS A 25 14.019 7.749 -0.548 1.00 0.00 H new ATOM 0 HA LYS A 25 14.490 10.153 0.860 1.00 0.00 H new ATOM 0 HB2 LYS A 25 16.266 10.513 -0.819 1.00 0.00 H new ATOM 0 HB3 LYS A 25 16.229 8.830 -0.330 1.00 0.00 H new ATOM 0 HG2 LYS A 25 14.991 8.198 -2.361 1.00 0.00 H new ATOM 0 HG3 LYS A 25 14.775 9.877 -2.812 1.00 0.00 H new ATOM 0 HD2 LYS A 25 17.515 9.808 -2.529 1.00 0.00 H new ATOM 0 HD3 LYS A 25 17.221 8.155 -3.030 1.00 0.00 H new ATOM 0 HE2 LYS A 25 15.601 9.407 -4.823 1.00 0.00 H new ATOM 0 HE3 LYS A 25 16.735 10.715 -4.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 17.475 9.279 -6.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 18.568 9.195 -5.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 17.469 7.928 -5.320 1.00 0.00 H new ATOM 421 N LYS A 26 12.649 10.547 -1.798 1.00 0.00 N ATOM 422 CA LYS A 26 11.838 11.544 -2.571 1.00 0.00 C ATOM 423 C LYS A 26 11.059 12.447 -1.606 1.00 0.00 C ATOM 424 O LYS A 26 10.733 12.049 -0.501 1.00 0.00 O ATOM 425 CB LYS A 26 10.855 10.799 -3.481 1.00 0.00 C ATOM 426 CG LYS A 26 10.748 11.522 -4.827 1.00 0.00 C ATOM 427 CD LYS A 26 11.948 11.155 -5.704 1.00 0.00 C ATOM 428 CE LYS A 26 12.098 12.187 -6.825 1.00 0.00 C ATOM 429 NZ LYS A 26 12.920 13.332 -6.342 1.00 0.00 N ATOM 0 H LYS A 26 12.452 9.572 -2.025 1.00 0.00 H new ATOM 0 HA LYS A 26 12.505 12.160 -3.175 1.00 0.00 H new ATOM 0 HB2 LYS A 26 11.192 9.774 -3.634 1.00 0.00 H new ATOM 0 HB3 LYS A 26 9.875 10.745 -3.007 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.820 11.244 -5.328 1.00 0.00 H new ATOM 0 HG3 LYS A 26 10.715 12.600 -4.671 1.00 0.00 H new ATOM 0 HD2 LYS A 26 12.856 11.123 -5.101 1.00 0.00 H new ATOM 0 HD3 LYS A 26 11.811 10.160 -6.128 1.00 0.00 H new ATOM 0 HE2 LYS A 26 12.569 11.729 -7.694 1.00 0.00 H new ATOM 0 HE3 LYS A 26 11.117 12.539 -7.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 13.021 14.032 -7.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 12.453 13.774 -5.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 13.860 12.989 -6.059 1.00 0.00 H new ATOM 443 N ALA A 27 10.768 13.661 -2.032 1.00 0.00 N ATOM 444 CA ALA A 27 10.011 14.628 -1.171 1.00 0.00 C ATOM 445 C ALA A 27 8.636 14.049 -0.815 1.00 0.00 C ATOM 446 O ALA A 27 8.050 14.419 0.189 1.00 0.00 O ATOM 447 CB ALA A 27 9.834 15.949 -1.930 1.00 0.00 C ATOM 0 H ALA A 27 11.027 14.023 -2.950 1.00 0.00 H new ATOM 0 HA ALA A 27 10.568 14.805 -0.251 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.284 16.655 -1.308 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.813 16.364 -2.172 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.279 15.768 -2.851 1.00 0.00 H new ATOM 453 N LEU A 28 8.122 13.149 -1.633 1.00 0.00 N ATOM 454 CA LEU A 28 6.781 12.532 -1.364 1.00 0.00 C ATOM 455 C LEU A 28 6.767 11.918 0.039 1.00 0.00 C ATOM 456 O LEU A 28 5.750 11.921 0.713 1.00 0.00 O ATOM 457 CB LEU A 28 6.513 11.440 -2.399 1.00 0.00 C ATOM 458 CG LEU A 28 5.087 10.915 -2.232 1.00 0.00 C ATOM 459 CD1 LEU A 28 4.094 11.942 -2.783 1.00 0.00 C ATOM 460 CD2 LEU A 28 4.941 9.598 -2.998 1.00 0.00 C ATOM 0 H LEU A 28 8.581 12.816 -2.481 1.00 0.00 H new ATOM 0 HA LEU A 28 6.009 13.299 -1.429 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.650 11.837 -3.405 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.228 10.626 -2.277 1.00 0.00 H new ATOM 0 HG LEU A 28 4.881 10.747 -1.175 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.078 11.566 -2.663 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.201 12.880 -2.238 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.296 12.112 -3.841 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.925 9.220 -2.882 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.146 9.767 -4.055 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.647 8.868 -2.604 1.00 0.00 H new ATOM 472 N PHE A 29 7.896 11.401 0.471 1.00 0.00 N ATOM 473 CA PHE A 29 7.994 10.782 1.829 1.00 0.00 C ATOM 474 C PHE A 29 9.048 11.526 2.653 1.00 0.00 C ATOM 475 O PHE A 29 8.866 11.758 3.835 1.00 0.00 O ATOM 476 CB PHE A 29 8.395 9.311 1.697 1.00 0.00 C ATOM 477 CG PHE A 29 7.223 8.507 1.184 1.00 0.00 C ATOM 478 CD1 PHE A 29 5.984 8.579 1.835 1.00 0.00 C ATOM 479 CD2 PHE A 29 7.374 7.685 0.061 1.00 0.00 C ATOM 480 CE1 PHE A 29 4.901 7.830 1.363 1.00 0.00 C ATOM 481 CE2 PHE A 29 6.289 6.937 -0.412 1.00 0.00 C ATOM 482 CZ PHE A 29 5.053 7.009 0.240 1.00 0.00 C ATOM 0 H PHE A 29 8.762 11.383 -0.068 1.00 0.00 H new ATOM 0 HA PHE A 29 7.027 10.849 2.327 1.00 0.00 H new ATOM 0 HB2 PHE A 29 9.240 9.214 1.016 1.00 0.00 H new ATOM 0 HB3 PHE A 29 8.718 8.924 2.663 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.865 9.213 2.701 1.00 0.00 H new ATOM 0 HD2 PHE A 29 8.328 7.628 -0.441 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.947 7.885 1.866 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.406 6.305 -1.280 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.216 6.431 -0.123 1.00 0.00 H new ATOM 492 N ASP A 30 10.148 11.904 2.026 1.00 0.00 N ATOM 493 CA ASP A 30 11.249 12.643 2.737 1.00 0.00 C ATOM 494 C ASP A 30 12.021 11.667 3.647 1.00 0.00 C ATOM 495 O ASP A 30 12.265 11.934 4.816 1.00 0.00 O ATOM 496 CB ASP A 30 10.659 13.806 3.557 1.00 0.00 C ATOM 497 CG ASP A 30 11.738 14.863 3.801 1.00 0.00 C ATOM 498 OD1 ASP A 30 12.448 14.741 4.786 1.00 0.00 O ATOM 499 OD2 ASP A 30 11.837 15.776 2.998 1.00 0.00 O ATOM 0 H ASP A 30 10.329 11.728 1.038 1.00 0.00 H new ATOM 0 HA ASP A 30 11.941 13.059 2.005 1.00 0.00 H new ATOM 0 HB2 ASP A 30 9.817 14.248 3.025 1.00 0.00 H new ATOM 0 HB3 ASP A 30 10.277 13.436 4.508 1.00 0.00 H new ATOM 504 N CYS A 31 12.413 10.536 3.095 1.00 0.00 N ATOM 505 CA CYS A 31 13.181 9.512 3.874 1.00 0.00 C ATOM 506 C CYS A 31 12.354 9.060 5.093 1.00 0.00 C ATOM 507 O CYS A 31 12.835 9.027 6.219 1.00 0.00 O ATOM 508 CB CYS A 31 14.524 10.115 4.313 1.00 0.00 C ATOM 509 SG CYS A 31 15.816 9.630 3.139 1.00 0.00 S ATOM 0 H CYS A 31 12.229 10.280 2.125 1.00 0.00 H new ATOM 0 HA CYS A 31 13.376 8.638 3.252 1.00 0.00 H new ATOM 0 HB2 CYS A 31 14.449 11.201 4.360 1.00 0.00 H new ATOM 0 HB3 CYS A 31 14.780 9.770 5.315 1.00 0.00 H new ATOM 514 N LYS A 32 11.106 8.702 4.858 1.00 0.00 N ATOM 515 CA LYS A 32 10.213 8.238 5.961 1.00 0.00 C ATOM 516 C LYS A 32 10.768 6.940 6.545 1.00 0.00 C ATOM 517 O LYS A 32 11.223 6.067 5.824 1.00 0.00 O ATOM 518 CB LYS A 32 8.800 8.003 5.419 1.00 0.00 C ATOM 519 CG LYS A 32 8.048 9.338 5.361 1.00 0.00 C ATOM 520 CD LYS A 32 7.129 9.469 6.578 1.00 0.00 C ATOM 521 CE LYS A 32 7.861 10.220 7.691 1.00 0.00 C ATOM 522 NZ LYS A 32 6.874 10.970 8.517 1.00 0.00 N ATOM 0 H LYS A 32 10.671 8.714 3.936 1.00 0.00 H new ATOM 0 HA LYS A 32 10.170 8.998 6.741 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.849 7.557 4.426 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.266 7.300 6.058 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.758 10.165 5.339 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.462 9.396 4.444 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.218 10.001 6.304 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.828 8.482 6.928 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.414 9.518 8.315 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.589 10.908 7.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 7.372 11.481 9.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.365 11.650 7.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.195 10.303 8.937 1.00 0.00 H new ATOM 536 N GLN A 33 10.742 6.831 7.851 1.00 0.00 N ATOM 537 CA GLN A 33 11.273 5.617 8.558 1.00 0.00 C ATOM 538 C GLN A 33 10.724 4.325 7.935 1.00 0.00 C ATOM 539 O GLN A 33 11.480 3.405 7.664 1.00 0.00 O ATOM 540 CB GLN A 33 10.888 5.683 10.041 1.00 0.00 C ATOM 541 CG GLN A 33 9.378 5.895 10.188 1.00 0.00 C ATOM 542 CD GLN A 33 9.092 6.586 11.522 1.00 0.00 C ATOM 543 OE1 GLN A 33 8.310 6.101 12.316 1.00 0.00 O ATOM 544 NE2 GLN A 33 9.693 7.711 11.804 1.00 0.00 N ATOM 0 H GLN A 33 10.367 7.547 8.473 1.00 0.00 H new ATOM 0 HA GLN A 33 12.358 5.606 8.456 1.00 0.00 H new ATOM 0 HB2 GLN A 33 11.183 4.761 10.542 1.00 0.00 H new ATOM 0 HB3 GLN A 33 11.426 6.497 10.528 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.002 6.501 9.364 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.859 4.938 10.142 1.00 0.00 H new ATOM 0 HE21 GLN A 33 10.350 8.119 11.139 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.506 8.181 12.690 1.00 0.00 H new ATOM 553 N LYS A 34 9.429 4.251 7.716 1.00 0.00 N ATOM 554 CA LYS A 34 8.823 3.017 7.120 1.00 0.00 C ATOM 555 C LYS A 34 7.590 3.379 6.285 1.00 0.00 C ATOM 556 O LYS A 34 6.994 4.428 6.459 1.00 0.00 O ATOM 557 CB LYS A 34 8.409 2.063 8.244 1.00 0.00 C ATOM 558 CG LYS A 34 7.483 2.792 9.227 1.00 0.00 C ATOM 559 CD LYS A 34 6.267 1.913 9.538 1.00 0.00 C ATOM 560 CE LYS A 34 5.325 2.645 10.500 1.00 0.00 C ATOM 561 NZ LYS A 34 3.923 2.506 10.017 1.00 0.00 N ATOM 0 H LYS A 34 8.765 4.996 7.926 1.00 0.00 H new ATOM 0 HA LYS A 34 9.559 2.537 6.475 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.901 1.194 7.827 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.293 1.696 8.766 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.022 3.023 10.146 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.158 3.741 8.800 1.00 0.00 H new ATOM 0 HD2 LYS A 34 5.740 1.667 8.616 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.592 0.971 9.980 1.00 0.00 H new ATOM 0 HE2 LYS A 34 5.419 2.231 11.504 1.00 0.00 H new ATOM 0 HE3 LYS A 34 5.597 3.699 10.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.281 3.002 10.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.841 2.920 9.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.667 1.499 9.979 1.00 0.00 H new ATOM 575 N ASN A 35 7.214 2.493 5.388 1.00 0.00 N ATOM 576 CA ASN A 35 6.020 2.711 4.513 1.00 0.00 C ATOM 577 C ASN A 35 5.584 1.342 3.969 1.00 0.00 C ATOM 578 O ASN A 35 6.403 0.457 3.786 1.00 0.00 O ATOM 579 CB ASN A 35 6.392 3.674 3.360 1.00 0.00 C ATOM 580 CG ASN A 35 5.323 3.644 2.250 1.00 0.00 C ATOM 581 OD1 ASN A 35 5.237 2.685 1.510 1.00 0.00 O ATOM 582 ND2 ASN A 35 4.505 4.652 2.099 1.00 0.00 N ATOM 0 H ASN A 35 7.698 1.610 5.225 1.00 0.00 H new ATOM 0 HA ASN A 35 5.200 3.162 5.072 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.492 4.688 3.746 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.360 3.394 2.945 1.00 0.00 H new ATOM 0 HD21 ASN A 35 3.799 4.630 1.363 1.00 0.00 H new ATOM 0 HD22 ASN A 35 4.572 5.460 2.717 1.00 0.00 H new ATOM 589 N THR A 36 4.303 1.173 3.718 1.00 0.00 N ATOM 590 CA THR A 36 3.789 -0.129 3.190 1.00 0.00 C ATOM 591 C THR A 36 3.307 0.059 1.752 1.00 0.00 C ATOM 592 O THR A 36 2.238 0.601 1.517 1.00 0.00 O ATOM 593 CB THR A 36 2.627 -0.612 4.063 1.00 0.00 C ATOM 594 OG1 THR A 36 2.982 -0.475 5.432 1.00 0.00 O ATOM 595 CG2 THR A 36 2.330 -2.081 3.756 1.00 0.00 C ATOM 0 H THR A 36 3.590 1.889 3.859 1.00 0.00 H new ATOM 0 HA THR A 36 4.588 -0.870 3.210 1.00 0.00 H new ATOM 0 HB THR A 36 1.740 -0.015 3.853 1.00 0.00 H new ATOM 0 HG1 THR A 36 2.240 -0.781 5.995 1.00 0.00 H new ATOM 0 HG21 THR A 36 1.503 -2.423 4.378 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.061 -2.186 2.705 1.00 0.00 H new ATOM 0 HG23 THR A 36 3.214 -2.683 3.966 1.00 0.00 H new ATOM 603 N PHE A 37 4.092 -0.391 0.797 1.00 0.00 N ATOM 604 CA PHE A 37 3.712 -0.257 -0.641 1.00 0.00 C ATOM 605 C PHE A 37 3.091 -1.572 -1.116 1.00 0.00 C ATOM 606 O PHE A 37 3.498 -2.642 -0.699 1.00 0.00 O ATOM 607 CB PHE A 37 4.963 0.058 -1.470 1.00 0.00 C ATOM 608 CG PHE A 37 5.018 1.539 -1.773 1.00 0.00 C ATOM 609 CD1 PHE A 37 4.108 2.101 -2.675 1.00 0.00 C ATOM 610 CD2 PHE A 37 5.982 2.347 -1.158 1.00 0.00 C ATOM 611 CE1 PHE A 37 4.161 3.469 -2.964 1.00 0.00 C ATOM 612 CE2 PHE A 37 6.036 3.717 -1.447 1.00 0.00 C ATOM 613 CZ PHE A 37 5.125 4.277 -2.350 1.00 0.00 C ATOM 0 H PHE A 37 4.988 -0.850 0.960 1.00 0.00 H new ATOM 0 HA PHE A 37 2.990 0.551 -0.762 1.00 0.00 H new ATOM 0 HB2 PHE A 37 5.857 -0.244 -0.925 1.00 0.00 H new ATOM 0 HB3 PHE A 37 4.948 -0.512 -2.399 1.00 0.00 H new ATOM 0 HD1 PHE A 37 3.364 1.478 -3.149 1.00 0.00 H new ATOM 0 HD2 PHE A 37 6.684 1.914 -0.461 1.00 0.00 H new ATOM 0 HE1 PHE A 37 3.458 3.901 -3.661 1.00 0.00 H new ATOM 0 HE2 PHE A 37 6.780 4.340 -0.973 1.00 0.00 H new ATOM 0 HZ PHE A 37 5.166 5.333 -2.573 1.00 0.00 H new ATOM 623 N ILE A 38 2.100 -1.485 -1.973 1.00 0.00 N ATOM 624 CA ILE A 38 1.416 -2.708 -2.491 1.00 0.00 C ATOM 625 C ILE A 38 1.778 -2.907 -3.965 1.00 0.00 C ATOM 626 O ILE A 38 2.272 -2.002 -4.616 1.00 0.00 O ATOM 627 CB ILE A 38 -0.099 -2.539 -2.336 1.00 0.00 C ATOM 628 CG1 ILE A 38 -0.429 -2.276 -0.865 1.00 0.00 C ATOM 629 CG2 ILE A 38 -0.818 -3.812 -2.794 1.00 0.00 C ATOM 630 CD1 ILE A 38 -1.921 -1.970 -0.721 1.00 0.00 C ATOM 0 H ILE A 38 1.734 -0.606 -2.338 1.00 0.00 H new ATOM 0 HA ILE A 38 1.738 -3.583 -1.927 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.430 -1.700 -2.948 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.166 -3.145 -0.262 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.162 -1.439 -0.493 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.894 -3.683 -2.680 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.584 -4.005 -3.841 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.488 -4.655 -2.187 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.155 -1.783 0.327 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.170 -1.088 -1.311 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.503 -2.821 -1.076 1.00 0.00 H new ATOM 642 N TYR A 39 1.534 -4.090 -4.480 1.00 0.00 N ATOM 643 CA TYR A 39 1.848 -4.401 -5.908 1.00 0.00 C ATOM 644 C TYR A 39 0.584 -4.942 -6.588 1.00 0.00 C ATOM 645 O TYR A 39 0.258 -6.112 -6.466 1.00 0.00 O ATOM 646 CB TYR A 39 2.969 -5.451 -5.954 1.00 0.00 C ATOM 647 CG TYR A 39 3.289 -5.811 -7.387 1.00 0.00 C ATOM 648 CD1 TYR A 39 4.142 -4.998 -8.141 1.00 0.00 C ATOM 649 CD2 TYR A 39 2.727 -6.958 -7.959 1.00 0.00 C ATOM 650 CE1 TYR A 39 4.433 -5.333 -9.469 1.00 0.00 C ATOM 651 CE2 TYR A 39 3.018 -7.294 -9.284 1.00 0.00 C ATOM 652 CZ TYR A 39 3.872 -6.481 -10.041 1.00 0.00 C ATOM 653 OH TYR A 39 4.158 -6.812 -11.350 1.00 0.00 O ATOM 0 H TYR A 39 1.123 -4.865 -3.959 1.00 0.00 H new ATOM 0 HA TYR A 39 2.178 -3.503 -6.431 1.00 0.00 H new ATOM 0 HB2 TYR A 39 3.861 -5.063 -5.461 1.00 0.00 H new ATOM 0 HB3 TYR A 39 2.664 -6.343 -5.407 1.00 0.00 H new ATOM 0 HD1 TYR A 39 4.576 -4.113 -7.699 1.00 0.00 H new ATOM 0 HD2 TYR A 39 2.068 -7.584 -7.376 1.00 0.00 H new ATOM 0 HE1 TYR A 39 5.091 -4.705 -10.052 1.00 0.00 H new ATOM 0 HE2 TYR A 39 2.585 -8.180 -9.724 1.00 0.00 H new ATOM 0 HH TYR A 39 3.688 -7.638 -11.589 1.00 0.00 H new ATOM 663 N ALA A 40 -0.119 -4.087 -7.300 1.00 0.00 N ATOM 664 CA ALA A 40 -1.371 -4.517 -8.005 1.00 0.00 C ATOM 665 C ALA A 40 -1.768 -3.464 -9.040 1.00 0.00 C ATOM 666 O ALA A 40 -1.108 -2.450 -9.192 1.00 0.00 O ATOM 667 CB ALA A 40 -2.504 -4.687 -6.988 1.00 0.00 C ATOM 0 H ALA A 40 0.124 -3.104 -7.423 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.190 -5.467 -8.507 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.412 -4.999 -7.504 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.224 -5.444 -6.255 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.683 -3.739 -6.481 1.00 0.00 H new ATOM 673 N ARG A 41 -2.845 -3.714 -9.751 1.00 0.00 N ATOM 674 CA ARG A 41 -3.328 -2.759 -10.798 1.00 0.00 C ATOM 675 C ARG A 41 -4.452 -1.881 -10.218 1.00 0.00 C ATOM 676 O ARG A 41 -4.995 -2.210 -9.178 1.00 0.00 O ATOM 677 CB ARG A 41 -3.862 -3.558 -11.991 1.00 0.00 C ATOM 678 CG ARG A 41 -2.708 -3.909 -12.944 1.00 0.00 C ATOM 679 CD ARG A 41 -2.657 -5.425 -13.159 1.00 0.00 C ATOM 680 NE ARG A 41 -3.676 -5.819 -14.172 1.00 0.00 N ATOM 681 CZ ARG A 41 -3.488 -6.883 -14.902 1.00 0.00 C ATOM 682 NH1 ARG A 41 -3.225 -8.028 -14.332 1.00 0.00 N ATOM 683 NH2 ARG A 41 -3.561 -6.804 -16.202 1.00 0.00 N ATOM 0 H ARG A 41 -3.417 -4.552 -9.647 1.00 0.00 H new ATOM 0 HA ARG A 41 -2.507 -2.119 -11.121 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.347 -4.470 -11.642 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.618 -2.977 -12.520 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -2.845 -3.401 -13.899 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.763 -3.559 -12.530 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.663 -5.722 -13.493 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -2.845 -5.943 -12.218 1.00 0.00 H new ATOM 0 HE ARG A 41 -4.519 -5.258 -14.294 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.167 -8.090 -13.316 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -3.078 -8.860 -14.903 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -3.765 -5.910 -16.648 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -3.414 -7.637 -16.773 1.00 0.00 H new ATOM 697 N PRO A 42 -4.776 -0.786 -10.901 1.00 0.00 N ATOM 698 CA PRO A 42 -5.840 0.136 -10.448 1.00 0.00 C ATOM 699 C PRO A 42 -7.215 -0.467 -10.741 1.00 0.00 C ATOM 700 O PRO A 42 -8.170 -0.222 -10.022 1.00 0.00 O ATOM 701 CB PRO A 42 -5.602 1.406 -11.269 1.00 0.00 C ATOM 702 CG PRO A 42 -4.802 0.976 -12.519 1.00 0.00 C ATOM 703 CD PRO A 42 -4.131 -0.366 -12.175 1.00 0.00 C ATOM 0 HA PRO A 42 -5.815 0.331 -9.376 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -6.548 1.867 -11.553 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -5.049 2.145 -10.689 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -5.460 0.870 -13.382 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -4.055 1.727 -12.778 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -4.289 -1.103 -12.962 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -3.053 -0.253 -12.056 1.00 0.00 H new ATOM 711 N GLY A 43 -7.306 -1.257 -11.790 1.00 0.00 N ATOM 712 CA GLY A 43 -8.604 -1.905 -12.158 1.00 0.00 C ATOM 713 C GLY A 43 -8.823 -3.135 -11.273 1.00 0.00 C ATOM 714 O GLY A 43 -9.949 -3.488 -10.964 1.00 0.00 O ATOM 0 H GLY A 43 -6.527 -1.480 -12.410 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.425 -1.200 -12.030 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.594 -2.195 -13.209 1.00 0.00 H new ATOM 718 N ARG A 44 -7.747 -3.780 -10.865 1.00 0.00 N ATOM 719 CA ARG A 44 -7.858 -4.991 -9.992 1.00 0.00 C ATOM 720 C ARG A 44 -8.175 -4.555 -8.559 1.00 0.00 C ATOM 721 O ARG A 44 -8.833 -5.271 -7.821 1.00 0.00 O ATOM 722 CB ARG A 44 -6.535 -5.762 -10.012 1.00 0.00 C ATOM 723 CG ARG A 44 -6.686 -7.060 -9.213 1.00 0.00 C ATOM 724 CD ARG A 44 -5.526 -8.002 -9.539 1.00 0.00 C ATOM 725 NE ARG A 44 -5.586 -8.385 -10.978 1.00 0.00 N ATOM 726 CZ ARG A 44 -6.401 -9.324 -11.369 1.00 0.00 C ATOM 727 NH1 ARG A 44 -7.636 -9.033 -11.674 1.00 0.00 N ATOM 728 NH2 ARG A 44 -5.984 -10.558 -11.456 1.00 0.00 N ATOM 0 H ARG A 44 -6.792 -3.513 -11.104 1.00 0.00 H new ATOM 0 HA ARG A 44 -8.656 -5.635 -10.363 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -6.249 -5.987 -11.039 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.740 -5.151 -9.586 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -6.701 -6.842 -8.145 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -7.635 -7.539 -9.454 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.576 -7.515 -9.321 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -5.579 -8.892 -8.912 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.989 -7.912 -11.657 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -7.965 -8.070 -11.607 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -8.273 -9.769 -11.980 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.019 -10.788 -11.218 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -6.623 -11.292 -11.762 1.00 0.00 H new ATOM 742 N VAL A 45 -7.711 -3.384 -8.171 1.00 0.00 N ATOM 743 CA VAL A 45 -7.970 -2.871 -6.789 1.00 0.00 C ATOM 744 C VAL A 45 -9.304 -2.123 -6.776 1.00 0.00 C ATOM 745 O VAL A 45 -10.030 -2.160 -5.797 1.00 0.00 O ATOM 746 CB VAL A 45 -6.842 -1.921 -6.375 1.00 0.00 C ATOM 747 CG1 VAL A 45 -7.055 -1.466 -4.929 1.00 0.00 C ATOM 748 CG2 VAL A 45 -5.499 -2.648 -6.484 1.00 0.00 C ATOM 0 H VAL A 45 -7.160 -2.760 -8.761 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.011 -3.705 -6.088 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.844 -1.052 -7.032 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.251 -0.790 -4.638 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.011 -0.949 -4.847 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.055 -2.335 -4.271 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.695 -1.973 -6.190 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.502 -3.518 -5.827 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.343 -2.971 -7.513 1.00 0.00 H new ATOM 758 N GLN A 46 -9.619 -1.451 -7.862 1.00 0.00 N ATOM 759 CA GLN A 46 -10.904 -0.689 -7.954 1.00 0.00 C ATOM 760 C GLN A 46 -12.077 -1.657 -7.797 1.00 0.00 C ATOM 761 O GLN A 46 -13.035 -1.370 -7.099 1.00 0.00 O ATOM 762 CB GLN A 46 -10.990 0.003 -9.317 1.00 0.00 C ATOM 763 CG GLN A 46 -10.462 1.434 -9.199 1.00 0.00 C ATOM 764 CD GLN A 46 -10.670 2.169 -10.524 1.00 0.00 C ATOM 765 OE1 GLN A 46 -11.164 3.278 -10.545 1.00 0.00 O ATOM 766 NE2 GLN A 46 -10.313 1.593 -11.640 1.00 0.00 N ATOM 0 H GLN A 46 -9.033 -1.399 -8.695 1.00 0.00 H new ATOM 0 HA GLN A 46 -10.942 0.062 -7.164 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -10.409 -0.550 -10.055 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -12.022 0.013 -9.667 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -10.980 1.958 -8.396 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -9.403 1.421 -8.941 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -9.898 0.661 -11.623 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -10.449 2.075 -12.529 1.00 0.00 H new ATOM 775 N ALA A 47 -11.995 -2.802 -8.442 1.00 0.00 N ATOM 776 CA ALA A 47 -13.089 -3.822 -8.354 1.00 0.00 C ATOM 777 C ALA A 47 -13.235 -4.311 -6.908 1.00 0.00 C ATOM 778 O ALA A 47 -14.293 -4.773 -6.512 1.00 0.00 O ATOM 779 CB ALA A 47 -12.750 -5.009 -9.259 1.00 0.00 C ATOM 0 H ALA A 47 -11.207 -3.073 -9.031 1.00 0.00 H new ATOM 0 HA ALA A 47 -14.027 -3.369 -8.675 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -13.545 -5.753 -9.197 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -12.654 -4.666 -10.289 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -11.809 -5.455 -8.937 1.00 0.00 H new ATOM 785 N LEU A 48 -12.177 -4.214 -6.127 1.00 0.00 N ATOM 786 CA LEU A 48 -12.219 -4.670 -4.702 1.00 0.00 C ATOM 787 C LEU A 48 -12.978 -3.641 -3.851 1.00 0.00 C ATOM 788 O LEU A 48 -13.597 -3.992 -2.860 1.00 0.00 O ATOM 789 CB LEU A 48 -10.779 -4.812 -4.182 1.00 0.00 C ATOM 790 CG LEU A 48 -10.782 -5.302 -2.728 1.00 0.00 C ATOM 791 CD1 LEU A 48 -10.545 -6.814 -2.690 1.00 0.00 C ATOM 792 CD2 LEU A 48 -9.665 -4.599 -1.951 1.00 0.00 C ATOM 0 H LEU A 48 -11.279 -3.833 -6.425 1.00 0.00 H new ATOM 0 HA LEU A 48 -12.731 -5.630 -4.637 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -10.227 -5.513 -4.808 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -10.265 -3.853 -4.248 1.00 0.00 H new ATOM 0 HG LEU A 48 -11.747 -5.074 -2.275 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -10.548 -7.157 -1.655 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -11.337 -7.320 -3.242 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -9.581 -7.043 -3.145 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.666 -4.946 -0.918 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.703 -4.828 -2.410 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.830 -3.522 -1.972 1.00 0.00 H new ATOM 804 N CYS A 49 -12.915 -2.381 -4.228 1.00 0.00 N ATOM 805 CA CYS A 49 -13.609 -1.308 -3.445 1.00 0.00 C ATOM 806 C CYS A 49 -14.804 -0.740 -4.228 1.00 0.00 C ATOM 807 O CYS A 49 -15.295 0.331 -3.908 1.00 0.00 O ATOM 808 CB CYS A 49 -12.609 -0.188 -3.143 1.00 0.00 C ATOM 809 SG CYS A 49 -12.608 0.159 -1.367 1.00 0.00 S ATOM 0 H CYS A 49 -12.409 -2.051 -5.050 1.00 0.00 H new ATOM 0 HA CYS A 49 -13.986 -1.736 -2.516 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -11.610 -0.481 -3.468 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -12.875 0.711 -3.700 1.00 0.00 H new ATOM 814 N LYS A 50 -15.279 -1.449 -5.234 1.00 0.00 N ATOM 815 CA LYS A 50 -16.451 -0.958 -6.028 1.00 0.00 C ATOM 816 C LYS A 50 -17.713 -1.688 -5.546 1.00 0.00 C ATOM 817 O LYS A 50 -18.554 -2.110 -6.330 1.00 0.00 O ATOM 818 CB LYS A 50 -16.208 -1.217 -7.523 1.00 0.00 C ATOM 819 CG LYS A 50 -17.013 -0.214 -8.352 1.00 0.00 C ATOM 820 CD LYS A 50 -16.379 1.175 -8.236 1.00 0.00 C ATOM 821 CE LYS A 50 -15.282 1.325 -9.292 1.00 0.00 C ATOM 822 NZ LYS A 50 -15.906 1.485 -10.635 1.00 0.00 N ATOM 0 H LYS A 50 -14.902 -2.347 -5.536 1.00 0.00 H new ATOM 0 HA LYS A 50 -16.582 0.115 -5.885 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -15.146 -1.124 -7.751 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -16.501 -2.235 -7.779 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -17.038 -0.527 -9.396 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -18.045 -0.184 -8.003 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -17.138 1.945 -8.373 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -15.960 1.313 -7.239 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -14.658 2.189 -9.064 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -14.631 0.451 -9.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -15.251 1.992 -11.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -16.114 0.548 -11.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -16.789 2.027 -10.545 1.00 0.00 H new ATOM 836 N ASN A 51 -17.829 -1.838 -4.245 1.00 0.00 N ATOM 837 CA ASN A 51 -19.007 -2.540 -3.647 1.00 0.00 C ATOM 838 C ASN A 51 -19.761 -1.612 -2.685 1.00 0.00 C ATOM 839 O ASN A 51 -20.955 -1.768 -2.488 1.00 0.00 O ATOM 840 CB ASN A 51 -18.520 -3.776 -2.883 1.00 0.00 C ATOM 841 CG ASN A 51 -17.496 -3.363 -1.821 1.00 0.00 C ATOM 842 OD1 ASN A 51 -16.627 -2.554 -2.076 1.00 0.00 O ATOM 843 ND2 ASN A 51 -17.564 -3.890 -0.628 1.00 0.00 N ATOM 0 H ASN A 51 -17.147 -1.499 -3.566 1.00 0.00 H new ATOM 0 HA ASN A 51 -19.685 -2.835 -4.448 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -19.364 -4.278 -2.411 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -18.072 -4.489 -3.575 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -16.888 -3.622 0.087 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -18.293 -4.570 -0.412 1.00 0.00 H new ATOM 850 N ILE A 52 -19.071 -0.662 -2.079 1.00 0.00 N ATOM 851 CA ILE A 52 -19.737 0.272 -1.114 1.00 0.00 C ATOM 852 C ILE A 52 -19.450 1.725 -1.499 1.00 0.00 C ATOM 853 O ILE A 52 -18.387 2.045 -2.013 1.00 0.00 O ATOM 854 CB ILE A 52 -19.204 0.009 0.298 1.00 0.00 C ATOM 855 CG1 ILE A 52 -19.350 -1.478 0.634 1.00 0.00 C ATOM 856 CG2 ILE A 52 -19.999 0.835 1.309 1.00 0.00 C ATOM 857 CD1 ILE A 52 -18.504 -1.808 1.865 1.00 0.00 C ATOM 0 H ILE A 52 -18.074 -0.498 -2.215 1.00 0.00 H new ATOM 0 HA ILE A 52 -20.813 0.102 -1.143 1.00 0.00 H new ATOM 0 HB ILE A 52 -18.152 0.292 0.343 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -20.396 -1.718 0.824 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -19.032 -2.086 -0.213 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -19.618 0.646 2.313 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -19.896 1.895 1.075 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -21.051 0.554 1.261 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -18.608 -2.866 2.105 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -17.458 -1.583 1.658 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -18.843 -1.210 2.711 1.00 0.00 H new ATOM 869 N ILE A 53 -20.397 2.602 -1.239 1.00 0.00 N ATOM 870 CA ILE A 53 -20.227 4.052 -1.559 1.00 0.00 C ATOM 871 C ILE A 53 -19.971 4.814 -0.255 1.00 0.00 C ATOM 872 O ILE A 53 -19.130 5.697 -0.202 1.00 0.00 O ATOM 873 CB ILE A 53 -21.502 4.571 -2.225 1.00 0.00 C ATOM 874 CG1 ILE A 53 -21.789 3.745 -3.481 1.00 0.00 C ATOM 875 CG2 ILE A 53 -21.325 6.040 -2.618 1.00 0.00 C ATOM 876 CD1 ILE A 53 -22.675 2.549 -3.124 1.00 0.00 C ATOM 0 H ILE A 53 -21.293 2.365 -0.812 1.00 0.00 H new ATOM 0 HA ILE A 53 -19.386 4.196 -2.238 1.00 0.00 H new ATOM 0 HB ILE A 53 -22.333 4.483 -1.525 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -22.283 4.364 -4.230 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -20.854 3.398 -3.921 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -22.237 6.402 -3.092 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -21.119 6.633 -1.727 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -20.493 6.132 -3.316 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -22.876 1.964 -4.022 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -22.165 1.924 -2.391 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -23.616 2.905 -2.705 1.00 0.00 H new ATOM 888 N VAL A 54 -20.689 4.461 0.791 1.00 0.00 N ATOM 889 CA VAL A 54 -20.513 5.131 2.114 1.00 0.00 C ATOM 890 C VAL A 54 -19.166 4.728 2.714 1.00 0.00 C ATOM 891 O VAL A 54 -18.390 4.013 2.099 1.00 0.00 O ATOM 892 CB VAL A 54 -21.641 4.705 3.055 1.00 0.00 C ATOM 893 CG1 VAL A 54 -22.976 5.237 2.530 1.00 0.00 C ATOM 894 CG2 VAL A 54 -21.697 3.177 3.133 1.00 0.00 C ATOM 0 H VAL A 54 -21.397 3.727 0.778 1.00 0.00 H new ATOM 0 HA VAL A 54 -20.541 6.212 1.981 1.00 0.00 H new ATOM 0 HB VAL A 54 -21.453 5.112 4.049 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -23.779 4.932 3.202 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -22.939 6.325 2.479 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -23.163 4.833 1.535 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -22.502 2.876 3.804 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -21.881 2.768 2.139 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -20.748 2.797 3.511 1.00 0.00 H new ATOM 904 N SER A 55 -18.895 5.191 3.911 1.00 0.00 N ATOM 905 CA SER A 55 -17.603 4.865 4.595 1.00 0.00 C ATOM 906 C SER A 55 -17.736 3.539 5.349 1.00 0.00 C ATOM 907 O SER A 55 -18.534 3.418 6.263 1.00 0.00 O ATOM 908 CB SER A 55 -17.252 5.981 5.579 1.00 0.00 C ATOM 909 OG SER A 55 -18.418 6.353 6.304 1.00 0.00 O ATOM 0 H SER A 55 -19.522 5.788 4.450 1.00 0.00 H new ATOM 0 HA SER A 55 -16.813 4.775 3.849 1.00 0.00 H new ATOM 0 HB2 SER A 55 -16.475 5.645 6.265 1.00 0.00 H new ATOM 0 HB3 SER A 55 -16.853 6.842 5.043 1.00 0.00 H new ATOM 0 HG SER A 55 -18.839 5.552 6.679 1.00 0.00 H new ATOM 915 N LYS A 56 -16.952 2.552 4.964 1.00 0.00 N ATOM 916 CA LYS A 56 -17.002 1.214 5.638 1.00 0.00 C ATOM 917 C LYS A 56 -15.629 0.538 5.526 1.00 0.00 C ATOM 918 O LYS A 56 -14.773 0.986 4.779 1.00 0.00 O ATOM 919 CB LYS A 56 -18.072 0.343 4.959 1.00 0.00 C ATOM 920 CG LYS A 56 -19.086 -0.148 6.003 1.00 0.00 C ATOM 921 CD LYS A 56 -19.587 -1.554 5.628 1.00 0.00 C ATOM 922 CE LYS A 56 -21.112 -1.544 5.454 1.00 0.00 C ATOM 923 NZ LYS A 56 -21.707 -2.714 6.165 1.00 0.00 N ATOM 0 H LYS A 56 -16.275 2.621 4.204 1.00 0.00 H new ATOM 0 HA LYS A 56 -17.256 1.339 6.691 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -18.582 0.916 4.185 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -17.602 -0.509 4.467 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -18.624 -0.169 6.990 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -19.927 0.544 6.059 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -19.110 -1.884 4.705 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -19.307 -2.267 6.404 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -21.527 -0.617 5.849 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -21.367 -1.581 4.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -22.740 -2.704 6.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -21.321 -3.594 5.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -21.475 -2.659 7.177 1.00 0.00 H new ATOM 937 N ASN A 57 -15.421 -0.530 6.270 1.00 0.00 N ATOM 938 CA ASN A 57 -14.109 -1.256 6.230 1.00 0.00 C ATOM 939 C ASN A 57 -14.257 -2.549 5.425 1.00 0.00 C ATOM 940 O ASN A 57 -15.181 -3.317 5.640 1.00 0.00 O ATOM 941 CB ASN A 57 -13.670 -1.593 7.657 1.00 0.00 C ATOM 942 CG ASN A 57 -13.106 -0.339 8.328 1.00 0.00 C ATOM 943 OD1 ASN A 57 -11.947 -0.017 8.162 1.00 0.00 O ATOM 944 ND2 ASN A 57 -13.882 0.386 9.086 1.00 0.00 N ATOM 0 H ASN A 57 -16.111 -0.930 6.906 1.00 0.00 H new ATOM 0 HA ASN A 57 -13.361 -0.621 5.757 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -14.516 -1.975 8.228 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -12.916 -2.380 7.640 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -13.515 1.223 9.539 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -14.856 0.116 9.226 1.00 0.00 H new ATOM 951 N VAL A 58 -13.348 -2.785 4.502 1.00 0.00 N ATOM 952 CA VAL A 58 -13.399 -4.021 3.657 1.00 0.00 C ATOM 953 C VAL A 58 -12.100 -4.811 3.829 1.00 0.00 C ATOM 954 O VAL A 58 -11.026 -4.238 3.909 1.00 0.00 O ATOM 955 CB VAL A 58 -13.563 -3.625 2.185 1.00 0.00 C ATOM 956 CG1 VAL A 58 -13.691 -4.881 1.317 1.00 0.00 C ATOM 957 CG2 VAL A 58 -14.822 -2.773 2.025 1.00 0.00 C ATOM 0 H VAL A 58 -12.565 -2.164 4.298 1.00 0.00 H new ATOM 0 HA VAL A 58 -14.243 -4.638 3.966 1.00 0.00 H new ATOM 0 HB VAL A 58 -12.689 -3.056 1.869 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -13.807 -4.591 0.273 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -12.795 -5.492 1.427 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -14.562 -5.455 1.633 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -14.940 -2.491 0.979 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -15.692 -3.345 2.347 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -14.733 -1.874 2.635 1.00 0.00 H new ATOM 967 N LEU A 59 -12.202 -6.123 3.879 1.00 0.00 N ATOM 968 CA LEU A 59 -10.990 -6.987 4.036 1.00 0.00 C ATOM 969 C LEU A 59 -10.826 -7.855 2.786 1.00 0.00 C ATOM 970 O LEU A 59 -11.706 -8.630 2.445 1.00 0.00 O ATOM 971 CB LEU A 59 -11.156 -7.881 5.274 1.00 0.00 C ATOM 972 CG LEU A 59 -10.272 -7.360 6.410 1.00 0.00 C ATOM 973 CD1 LEU A 59 -10.916 -7.700 7.755 1.00 0.00 C ATOM 974 CD2 LEU A 59 -8.892 -8.019 6.326 1.00 0.00 C ATOM 0 H LEU A 59 -13.083 -6.633 3.817 1.00 0.00 H new ATOM 0 HA LEU A 59 -10.105 -6.363 4.162 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -12.200 -7.893 5.589 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -10.885 -8.908 5.031 1.00 0.00 H new ATOM 0 HG LEU A 59 -10.166 -6.279 6.320 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -10.287 -7.329 8.564 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -11.899 -7.233 7.816 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -11.022 -8.781 7.845 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.262 -7.648 7.135 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.999 -9.100 6.416 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -8.432 -7.778 5.368 1.00 0.00 H new ATOM 986 N SER A 60 -9.704 -7.725 2.104 1.00 0.00 N ATOM 987 CA SER A 60 -9.445 -8.523 0.864 1.00 0.00 C ATOM 988 C SER A 60 -9.607 -10.016 1.159 1.00 0.00 C ATOM 989 O SER A 60 -9.042 -10.535 2.107 1.00 0.00 O ATOM 990 CB SER A 60 -8.022 -8.253 0.373 1.00 0.00 C ATOM 991 OG SER A 60 -7.095 -8.647 1.377 1.00 0.00 O ATOM 0 H SER A 60 -8.950 -7.089 2.363 1.00 0.00 H new ATOM 0 HA SER A 60 -10.161 -8.231 0.095 1.00 0.00 H new ATOM 0 HB2 SER A 60 -7.833 -8.803 -0.549 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.899 -7.195 0.144 1.00 0.00 H new ATOM 0 HG SER A 60 -7.475 -9.381 1.904 1.00 0.00 H new ATOM 997 N THR A 61 -10.382 -10.694 0.344 1.00 0.00 N ATOM 998 CA THR A 61 -10.619 -12.159 0.535 1.00 0.00 C ATOM 999 C THR A 61 -9.366 -12.934 0.124 1.00 0.00 C ATOM 1000 O THR A 61 -8.981 -13.891 0.776 1.00 0.00 O ATOM 1001 CB THR A 61 -11.800 -12.600 -0.333 1.00 0.00 C ATOM 1002 OG1 THR A 61 -11.483 -12.385 -1.700 1.00 0.00 O ATOM 1003 CG2 THR A 61 -13.043 -11.786 0.036 1.00 0.00 C ATOM 0 H THR A 61 -10.866 -10.287 -0.456 1.00 0.00 H new ATOM 0 HA THR A 61 -10.843 -12.359 1.583 1.00 0.00 H new ATOM 0 HB THR A 61 -11.999 -13.658 -0.164 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.995 -13.160 -2.049 1.00 0.00 H new ATOM 0 HG21 THR A 61 -13.882 -12.102 -0.584 1.00 0.00 H new ATOM 0 HG22 THR A 61 -13.286 -11.949 1.086 1.00 0.00 H new ATOM 0 HG23 THR A 61 -12.847 -10.727 -0.131 1.00 0.00 H new ATOM 1011 N ASP A 62 -8.735 -12.520 -0.955 1.00 0.00 N ATOM 1012 CA ASP A 62 -7.498 -13.211 -1.441 1.00 0.00 C ATOM 1013 C ASP A 62 -6.264 -12.454 -0.946 1.00 0.00 C ATOM 1014 O ASP A 62 -6.357 -11.311 -0.531 1.00 0.00 O ATOM 1015 CB ASP A 62 -7.497 -13.240 -2.971 1.00 0.00 C ATOM 1016 CG ASP A 62 -8.795 -13.873 -3.474 1.00 0.00 C ATOM 1017 OD1 ASP A 62 -9.830 -13.241 -3.339 1.00 0.00 O ATOM 1018 OD2 ASP A 62 -8.734 -14.978 -3.986 1.00 0.00 O ATOM 0 H ASP A 62 -9.030 -11.725 -1.523 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.478 -14.231 -1.058 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -7.398 -12.228 -3.364 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.640 -13.807 -3.333 1.00 0.00 H new ATOM 1023 N GLU A 63 -5.114 -13.092 -0.997 1.00 0.00 N ATOM 1024 CA GLU A 63 -3.848 -12.439 -0.539 1.00 0.00 C ATOM 1025 C GLU A 63 -3.253 -11.630 -1.693 1.00 0.00 C ATOM 1026 O GLU A 63 -3.225 -12.086 -2.825 1.00 0.00 O ATOM 1027 CB GLU A 63 -2.854 -13.514 -0.097 1.00 0.00 C ATOM 1028 CG GLU A 63 -3.398 -14.232 1.140 1.00 0.00 C ATOM 1029 CD GLU A 63 -2.343 -15.202 1.675 1.00 0.00 C ATOM 1030 OE1 GLU A 63 -1.435 -14.745 2.350 1.00 0.00 O ATOM 1031 OE2 GLU A 63 -2.461 -16.385 1.402 1.00 0.00 O ATOM 0 H GLU A 63 -5.001 -14.046 -1.340 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.058 -11.775 0.300 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.692 -14.229 -0.904 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.888 -13.062 0.127 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.661 -13.505 1.908 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.310 -14.773 0.887 1.00 0.00 H new ATOM 1038 N PHE A 64 -2.784 -10.433 -1.409 1.00 0.00 N ATOM 1039 CA PHE A 64 -2.187 -9.564 -2.473 1.00 0.00 C ATOM 1040 C PHE A 64 -0.698 -9.349 -2.189 1.00 0.00 C ATOM 1041 O PHE A 64 -0.268 -9.394 -1.047 1.00 0.00 O ATOM 1042 CB PHE A 64 -2.904 -8.211 -2.484 1.00 0.00 C ATOM 1043 CG PHE A 64 -4.146 -8.302 -3.339 1.00 0.00 C ATOM 1044 CD1 PHE A 64 -4.037 -8.301 -4.735 1.00 0.00 C ATOM 1045 CD2 PHE A 64 -5.408 -8.387 -2.736 1.00 0.00 C ATOM 1046 CE1 PHE A 64 -5.188 -8.384 -5.528 1.00 0.00 C ATOM 1047 CE2 PHE A 64 -6.559 -8.469 -3.530 1.00 0.00 C ATOM 1048 CZ PHE A 64 -6.449 -8.468 -4.925 1.00 0.00 C ATOM 0 H PHE A 64 -2.791 -10.020 -0.476 1.00 0.00 H new ATOM 0 HA PHE A 64 -2.302 -10.048 -3.443 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -3.171 -7.921 -1.468 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.239 -7.439 -2.872 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -3.065 -8.236 -5.200 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -5.493 -8.389 -1.659 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -5.103 -8.383 -6.605 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -7.532 -8.533 -3.065 1.00 0.00 H new ATOM 0 HZ PHE A 64 -7.337 -8.532 -5.537 1.00 0.00 H new ATOM 1058 N TYR A 65 0.083 -9.112 -3.225 1.00 0.00 N ATOM 1059 CA TYR A 65 1.552 -8.880 -3.047 1.00 0.00 C ATOM 1060 C TYR A 65 1.751 -7.598 -2.242 1.00 0.00 C ATOM 1061 O TYR A 65 1.068 -6.611 -2.468 1.00 0.00 O ATOM 1062 CB TYR A 65 2.222 -8.738 -4.415 1.00 0.00 C ATOM 1063 CG TYR A 65 2.249 -10.082 -5.103 1.00 0.00 C ATOM 1064 CD1 TYR A 65 2.996 -11.133 -4.557 1.00 0.00 C ATOM 1065 CD2 TYR A 65 1.529 -10.276 -6.287 1.00 0.00 C ATOM 1066 CE1 TYR A 65 3.022 -12.379 -5.195 1.00 0.00 C ATOM 1067 CE2 TYR A 65 1.555 -11.523 -6.926 1.00 0.00 C ATOM 1068 CZ TYR A 65 2.301 -12.574 -6.380 1.00 0.00 C ATOM 1069 OH TYR A 65 2.325 -13.802 -7.009 1.00 0.00 O ATOM 0 H TYR A 65 -0.241 -9.070 -4.191 1.00 0.00 H new ATOM 0 HA TYR A 65 1.999 -9.723 -2.520 1.00 0.00 H new ATOM 0 HB2 TYR A 65 1.679 -8.016 -5.025 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.236 -8.357 -4.297 1.00 0.00 H new ATOM 0 HD1 TYR A 65 3.552 -10.982 -3.644 1.00 0.00 H new ATOM 0 HD2 TYR A 65 0.953 -9.465 -6.708 1.00 0.00 H new ATOM 0 HE1 TYR A 65 3.598 -13.190 -4.774 1.00 0.00 H new ATOM 0 HE2 TYR A 65 0.999 -11.673 -7.840 1.00 0.00 H new ATOM 0 HH TYR A 65 1.771 -13.767 -7.817 1.00 0.00 H new ATOM 1079 N LEU A 66 2.670 -7.613 -1.297 1.00 0.00 N ATOM 1080 CA LEU A 66 2.912 -6.401 -0.453 1.00 0.00 C ATOM 1081 C LEU A 66 4.406 -6.095 -0.354 1.00 0.00 C ATOM 1082 O LEU A 66 5.150 -6.801 0.310 1.00 0.00 O ATOM 1083 CB LEU A 66 2.356 -6.643 0.950 1.00 0.00 C ATOM 1084 CG LEU A 66 0.846 -6.880 0.872 1.00 0.00 C ATOM 1085 CD1 LEU A 66 0.317 -7.256 2.256 1.00 0.00 C ATOM 1086 CD2 LEU A 66 0.153 -5.602 0.396 1.00 0.00 C ATOM 0 H LEU A 66 3.261 -8.415 -1.078 1.00 0.00 H new ATOM 0 HA LEU A 66 2.411 -5.551 -0.917 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.846 -7.505 1.402 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.567 -5.785 1.588 1.00 0.00 H new ATOM 0 HG LEU A 66 0.642 -7.689 0.171 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.758 -7.425 2.201 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.810 -8.166 2.599 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.522 -6.446 2.956 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.922 -5.770 0.340 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.358 -4.794 1.098 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.529 -5.330 -0.590 1.00 0.00 H new ATOM 1098 N SER A 67 4.831 -5.022 -0.982 1.00 0.00 N ATOM 1099 CA SER A 67 6.264 -4.597 -0.921 1.00 0.00 C ATOM 1100 C SER A 67 6.351 -3.445 0.079 1.00 0.00 C ATOM 1101 O SER A 67 5.904 -2.344 -0.203 1.00 0.00 O ATOM 1102 CB SER A 67 6.727 -4.124 -2.299 1.00 0.00 C ATOM 1103 OG SER A 67 5.801 -3.172 -2.806 1.00 0.00 O ATOM 0 H SER A 67 4.233 -4.415 -1.543 1.00 0.00 H new ATOM 0 HA SER A 67 6.901 -5.427 -0.615 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.720 -3.680 -2.229 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.804 -4.972 -2.980 1.00 0.00 H new ATOM 0 HG SER A 67 5.511 -2.579 -2.081 1.00 0.00 H new ATOM 1109 N ASP A 68 6.879 -3.703 1.258 1.00 0.00 N ATOM 1110 CA ASP A 68 6.949 -2.640 2.309 1.00 0.00 C ATOM 1111 C ASP A 68 8.391 -2.273 2.648 1.00 0.00 C ATOM 1112 O ASP A 68 9.273 -3.115 2.672 1.00 0.00 O ATOM 1113 CB ASP A 68 6.261 -3.153 3.574 1.00 0.00 C ATOM 1114 CG ASP A 68 6.892 -4.483 3.994 1.00 0.00 C ATOM 1115 OD1 ASP A 68 7.996 -4.454 4.512 1.00 0.00 O ATOM 1116 OD2 ASP A 68 6.260 -5.506 3.789 1.00 0.00 O ATOM 0 H ASP A 68 7.264 -4.606 1.534 1.00 0.00 H new ATOM 0 HA ASP A 68 6.453 -1.749 1.925 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.360 -2.422 4.376 1.00 0.00 H new ATOM 0 HB3 ASP A 68 5.194 -3.285 3.393 1.00 0.00 H new ATOM 1121 N CYS A 69 8.602 -1.014 2.954 1.00 0.00 N ATOM 1122 CA CYS A 69 9.950 -0.519 3.355 1.00 0.00 C ATOM 1123 C CYS A 69 9.918 -0.317 4.870 1.00 0.00 C ATOM 1124 O CYS A 69 8.906 0.110 5.405 1.00 0.00 O ATOM 1125 CB CYS A 69 10.238 0.812 2.655 1.00 0.00 C ATOM 1126 SG CYS A 69 10.220 0.568 0.861 1.00 0.00 S ATOM 0 H CYS A 69 7.877 -0.296 2.941 1.00 0.00 H new ATOM 0 HA CYS A 69 10.730 -1.227 3.075 1.00 0.00 H new ATOM 0 HB2 CYS A 69 9.491 1.553 2.939 1.00 0.00 H new ATOM 0 HB3 CYS A 69 11.207 1.199 2.970 1.00 0.00 H new ATOM 1131 N ASN A 70 10.988 -0.640 5.570 1.00 0.00 N ATOM 1132 CA ASN A 70 10.981 -0.490 7.063 1.00 0.00 C ATOM 1133 C ASN A 70 12.299 0.098 7.575 1.00 0.00 C ATOM 1134 O ASN A 70 13.372 -0.224 7.083 1.00 0.00 O ATOM 1135 CB ASN A 70 10.748 -1.860 7.714 1.00 0.00 C ATOM 1136 CG ASN A 70 11.686 -2.905 7.098 1.00 0.00 C ATOM 1137 OD1 ASN A 70 12.842 -2.630 6.845 1.00 0.00 O ATOM 1138 ND2 ASN A 70 11.233 -4.102 6.847 1.00 0.00 N ATOM 0 H ASN A 70 11.857 -0.998 5.173 1.00 0.00 H new ATOM 0 HA ASN A 70 10.177 0.196 7.329 1.00 0.00 H new ATOM 0 HB2 ASN A 70 10.920 -1.794 8.788 1.00 0.00 H new ATOM 0 HB3 ASN A 70 9.711 -2.165 7.575 1.00 0.00 H new ATOM 0 HD21 ASN A 70 11.849 -4.805 6.439 1.00 0.00 H new ATOM 0 HD22 ASN A 70 10.263 -4.335 7.059 1.00 0.00 H new ATOM 1145 N ARG A 71 12.201 0.952 8.580 1.00 0.00 N ATOM 1146 CA ARG A 71 13.407 1.583 9.192 1.00 0.00 C ATOM 1147 C ARG A 71 14.232 0.500 9.891 1.00 0.00 C ATOM 1148 O ARG A 71 13.882 0.050 10.971 1.00 0.00 O ATOM 1149 CB ARG A 71 12.964 2.640 10.218 1.00 0.00 C ATOM 1150 CG ARG A 71 14.197 3.278 10.887 1.00 0.00 C ATOM 1151 CD ARG A 71 14.268 4.768 10.552 1.00 0.00 C ATOM 1152 NE ARG A 71 13.551 5.547 11.599 1.00 0.00 N ATOM 1153 CZ ARG A 71 14.166 6.509 12.230 1.00 0.00 C ATOM 1154 NH1 ARG A 71 14.148 7.721 11.745 1.00 0.00 N ATOM 1155 NH2 ARG A 71 14.795 6.262 13.346 1.00 0.00 N ATOM 0 H ARG A 71 11.317 1.236 9.002 1.00 0.00 H new ATOM 0 HA ARG A 71 14.009 2.062 8.420 1.00 0.00 H new ATOM 0 HB2 ARG A 71 12.369 3.409 9.726 1.00 0.00 H new ATOM 0 HB3 ARG A 71 12.328 2.180 10.974 1.00 0.00 H new ATOM 0 HG2 ARG A 71 14.144 3.143 11.967 1.00 0.00 H new ATOM 0 HG3 ARG A 71 15.104 2.778 10.547 1.00 0.00 H new ATOM 0 HD2 ARG A 71 15.308 5.089 10.493 1.00 0.00 H new ATOM 0 HD3 ARG A 71 13.821 4.954 9.575 1.00 0.00 H new ATOM 0 HE ARG A 71 12.580 5.329 11.823 1.00 0.00 H new ATOM 0 HH11 ARG A 71 13.654 7.915 10.874 1.00 0.00 H new ATOM 0 HH12 ARG A 71 14.628 8.474 12.237 1.00 0.00 H new ATOM 0 HH21 ARG A 71 14.806 5.316 13.726 1.00 0.00 H new ATOM 0 HH22 ARG A 71 15.275 7.015 13.838 1.00 0.00 H new ATOM 1169 N ILE A 72 15.323 0.089 9.280 1.00 0.00 N ATOM 1170 CA ILE A 72 16.195 -0.963 9.892 1.00 0.00 C ATOM 1171 C ILE A 72 17.399 -0.298 10.562 1.00 0.00 C ATOM 1172 O ILE A 72 17.942 -0.821 11.522 1.00 0.00 O ATOM 1173 CB ILE A 72 16.677 -1.936 8.813 1.00 0.00 C ATOM 1174 CG1 ILE A 72 17.293 -1.154 7.651 1.00 0.00 C ATOM 1175 CG2 ILE A 72 15.492 -2.755 8.299 1.00 0.00 C ATOM 1176 CD1 ILE A 72 18.152 -2.093 6.804 1.00 0.00 C ATOM 0 H ILE A 72 15.646 0.441 8.379 1.00 0.00 H new ATOM 0 HA ILE A 72 15.623 -1.516 10.637 1.00 0.00 H new ATOM 0 HB ILE A 72 17.427 -2.603 9.239 1.00 0.00 H new ATOM 0 HG12 ILE A 72 16.507 -0.712 7.039 1.00 0.00 H new ATOM 0 HG13 ILE A 72 17.900 -0.333 8.032 1.00 0.00 H new ATOM 0 HG21 ILE A 72 15.835 -3.448 7.531 1.00 0.00 H new ATOM 0 HG22 ILE A 72 15.052 -3.316 9.124 1.00 0.00 H new ATOM 0 HG23 ILE A 72 14.743 -2.085 7.876 1.00 0.00 H new ATOM 0 HD11 ILE A 72 18.591 -1.537 5.976 1.00 0.00 H new ATOM 0 HD12 ILE A 72 18.946 -2.514 7.420 1.00 0.00 H new ATOM 0 HD13 ILE A 72 17.532 -2.899 6.411 1.00 0.00 H new ATOM 1188 N LYS A 73 17.812 0.849 10.059 1.00 0.00 N ATOM 1189 CA LYS A 73 18.978 1.571 10.651 1.00 0.00 C ATOM 1190 C LYS A 73 19.108 2.957 10.008 1.00 0.00 C ATOM 1191 O LYS A 73 19.637 3.093 8.921 1.00 0.00 O ATOM 1192 CB LYS A 73 20.256 0.754 10.401 1.00 0.00 C ATOM 1193 CG LYS A 73 21.475 1.463 11.016 1.00 0.00 C ATOM 1194 CD LYS A 73 22.448 1.878 9.908 1.00 0.00 C ATOM 1195 CE LYS A 73 23.874 1.931 10.470 1.00 0.00 C ATOM 1196 NZ LYS A 73 24.727 2.828 9.631 1.00 0.00 N ATOM 0 H LYS A 73 17.384 1.313 9.258 1.00 0.00 H new ATOM 0 HA LYS A 73 18.829 1.693 11.724 1.00 0.00 H new ATOM 0 HB2 LYS A 73 20.150 -0.241 10.833 1.00 0.00 H new ATOM 0 HB3 LYS A 73 20.407 0.621 9.330 1.00 0.00 H new ATOM 0 HG2 LYS A 73 21.152 2.340 11.577 1.00 0.00 H new ATOM 0 HG3 LYS A 73 21.975 0.800 11.722 1.00 0.00 H new ATOM 0 HD2 LYS A 73 22.398 1.169 9.082 1.00 0.00 H new ATOM 0 HD3 LYS A 73 22.167 2.853 9.509 1.00 0.00 H new ATOM 0 HE2 LYS A 73 23.854 2.293 11.498 1.00 0.00 H new ATOM 0 HE3 LYS A 73 24.301 0.928 10.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 25.690 2.856 10.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 24.759 2.465 8.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 24.326 3.788 9.630 1.00 0.00 H new ATOM 1210 N LEU A 74 18.630 3.985 10.689 1.00 0.00 N ATOM 1211 CA LEU A 74 18.710 5.402 10.171 1.00 0.00 C ATOM 1212 C LEU A 74 20.113 5.672 9.577 1.00 0.00 C ATOM 1213 O LEU A 74 21.033 4.926 9.866 1.00 0.00 O ATOM 1214 CB LEU A 74 18.442 6.372 11.339 1.00 0.00 C ATOM 1215 CG LEU A 74 19.319 6.014 12.552 1.00 0.00 C ATOM 1216 CD1 LEU A 74 20.503 6.978 12.635 1.00 0.00 C ATOM 1217 CD2 LEU A 74 18.489 6.127 13.836 1.00 0.00 C ATOM 0 H LEU A 74 18.179 3.899 11.600 1.00 0.00 H new ATOM 0 HA LEU A 74 17.967 5.549 9.388 1.00 0.00 H new ATOM 0 HB2 LEU A 74 18.648 7.395 11.024 1.00 0.00 H new ATOM 0 HB3 LEU A 74 17.389 6.330 11.619 1.00 0.00 H new ATOM 0 HG LEU A 74 19.686 4.994 12.439 1.00 0.00 H new ATOM 0 HD11 LEU A 74 21.122 6.721 13.495 1.00 0.00 H new ATOM 0 HD12 LEU A 74 21.098 6.903 11.725 1.00 0.00 H new ATOM 0 HD13 LEU A 74 20.135 7.998 12.744 1.00 0.00 H new ATOM 0 HD21 LEU A 74 19.111 5.873 14.695 1.00 0.00 H new ATOM 0 HD22 LEU A 74 18.121 7.148 13.943 1.00 0.00 H new ATOM 0 HD23 LEU A 74 17.644 5.441 13.785 1.00 0.00 H new ATOM 1229 N PRO A 75 20.250 6.715 8.758 1.00 0.00 N ATOM 1230 CA PRO A 75 19.158 7.651 8.379 1.00 0.00 C ATOM 1231 C PRO A 75 18.233 7.070 7.295 1.00 0.00 C ATOM 1232 O PRO A 75 17.113 6.680 7.585 1.00 0.00 O ATOM 1233 CB PRO A 75 19.905 8.876 7.843 1.00 0.00 C ATOM 1234 CG PRO A 75 21.304 8.383 7.405 1.00 0.00 C ATOM 1235 CD PRO A 75 21.554 7.053 8.137 1.00 0.00 C ATOM 0 HA PRO A 75 18.503 7.869 9.222 1.00 0.00 H new ATOM 0 HB2 PRO A 75 19.370 9.319 7.003 1.00 0.00 H new ATOM 0 HB3 PRO A 75 19.988 9.646 8.610 1.00 0.00 H new ATOM 0 HG2 PRO A 75 21.344 8.244 6.325 1.00 0.00 H new ATOM 0 HG3 PRO A 75 22.070 9.115 7.661 1.00 0.00 H new ATOM 0 HD2 PRO A 75 21.877 6.275 7.445 1.00 0.00 H new ATOM 0 HD3 PRO A 75 22.336 7.156 8.889 1.00 0.00 H new ATOM 1243 N CYS A 76 18.677 7.057 6.050 1.00 0.00 N ATOM 1244 CA CYS A 76 17.814 6.557 4.929 1.00 0.00 C ATOM 1245 C CYS A 76 18.232 5.141 4.481 1.00 0.00 C ATOM 1246 O CYS A 76 18.101 4.790 3.316 1.00 0.00 O ATOM 1247 CB CYS A 76 17.916 7.536 3.754 1.00 0.00 C ATOM 1248 SG CYS A 76 17.411 9.188 4.299 1.00 0.00 S ATOM 0 H CYS A 76 19.604 7.374 5.767 1.00 0.00 H new ATOM 0 HA CYS A 76 16.783 6.496 5.279 1.00 0.00 H new ATOM 0 HB2 CYS A 76 18.938 7.563 3.377 1.00 0.00 H new ATOM 0 HB3 CYS A 76 17.282 7.203 2.933 1.00 0.00 H new ATOM 1253 N HIS A 77 18.693 4.320 5.402 1.00 0.00 N ATOM 1254 CA HIS A 77 19.080 2.913 5.052 1.00 0.00 C ATOM 1255 C HIS A 77 17.915 1.997 5.439 1.00 0.00 C ATOM 1256 O HIS A 77 17.783 1.600 6.586 1.00 0.00 O ATOM 1257 CB HIS A 77 20.346 2.511 5.817 1.00 0.00 C ATOM 1258 CG HIS A 77 21.552 3.116 5.153 1.00 0.00 C ATOM 1259 ND1 HIS A 77 21.819 2.943 3.804 1.00 0.00 N ATOM 1260 CD2 HIS A 77 22.574 3.893 5.641 1.00 0.00 C ATOM 1261 CE1 HIS A 77 22.959 3.602 3.528 1.00 0.00 C ATOM 1262 NE2 HIS A 77 23.460 4.199 4.613 1.00 0.00 N ATOM 0 H HIS A 77 18.817 4.567 6.384 1.00 0.00 H new ATOM 0 HA HIS A 77 19.289 2.829 3.985 1.00 0.00 H new ATOM 0 HB2 HIS A 77 20.280 2.849 6.851 1.00 0.00 H new ATOM 0 HB3 HIS A 77 20.439 1.425 5.842 1.00 0.00 H new ATOM 0 HD2 HIS A 77 22.674 4.217 6.666 1.00 0.00 H new ATOM 0 HE1 HIS A 77 23.413 3.643 2.549 1.00 0.00 H new ATOM 0 HE2 HIS A 77 24.310 4.759 4.675 1.00 0.00 H new ATOM 1270 N TYR A 78 17.045 1.702 4.490 1.00 0.00 N ATOM 1271 CA TYR A 78 15.844 0.854 4.780 1.00 0.00 C ATOM 1272 C TYR A 78 15.903 -0.476 4.027 1.00 0.00 C ATOM 1273 O TYR A 78 16.712 -0.661 3.133 1.00 0.00 O ATOM 1274 CB TYR A 78 14.585 1.628 4.367 1.00 0.00 C ATOM 1275 CG TYR A 78 14.567 2.986 5.050 1.00 0.00 C ATOM 1276 CD1 TYR A 78 14.927 3.098 6.399 1.00 0.00 C ATOM 1277 CD2 TYR A 78 14.185 4.126 4.335 1.00 0.00 C ATOM 1278 CE1 TYR A 78 14.909 4.343 7.035 1.00 0.00 C ATOM 1279 CE2 TYR A 78 14.165 5.376 4.969 1.00 0.00 C ATOM 1280 CZ TYR A 78 14.527 5.485 6.319 1.00 0.00 C ATOM 1281 OH TYR A 78 14.509 6.717 6.942 1.00 0.00 O ATOM 0 H TYR A 78 17.121 2.017 3.523 1.00 0.00 H new ATOM 0 HA TYR A 78 15.822 0.630 5.846 1.00 0.00 H new ATOM 0 HB2 TYR A 78 14.564 1.755 3.285 1.00 0.00 H new ATOM 0 HB3 TYR A 78 13.694 1.062 4.639 1.00 0.00 H new ATOM 0 HD1 TYR A 78 15.220 2.217 6.951 1.00 0.00 H new ATOM 0 HD2 TYR A 78 13.906 4.043 3.295 1.00 0.00 H new ATOM 0 HE1 TYR A 78 15.189 4.424 8.075 1.00 0.00 H new ATOM 0 HE2 TYR A 78 13.870 6.256 4.417 1.00 0.00 H new ATOM 0 HH TYR A 78 15.368 6.871 7.388 1.00 0.00 H new ATOM 1291 N LYS A 79 15.037 -1.398 4.401 1.00 0.00 N ATOM 1292 CA LYS A 79 14.993 -2.746 3.744 1.00 0.00 C ATOM 1293 C LYS A 79 13.639 -2.936 3.050 1.00 0.00 C ATOM 1294 O LYS A 79 12.671 -2.272 3.384 1.00 0.00 O ATOM 1295 CB LYS A 79 15.167 -3.828 4.815 1.00 0.00 C ATOM 1296 CG LYS A 79 15.883 -5.046 4.222 1.00 0.00 C ATOM 1297 CD LYS A 79 17.397 -4.849 4.312 1.00 0.00 C ATOM 1298 CE LYS A 79 18.104 -6.061 3.700 1.00 0.00 C ATOM 1299 NZ LYS A 79 19.580 -5.883 3.803 1.00 0.00 N ATOM 0 H LYS A 79 14.351 -1.268 5.144 1.00 0.00 H new ATOM 0 HA LYS A 79 15.792 -2.820 3.006 1.00 0.00 H new ATOM 0 HB2 LYS A 79 15.740 -3.432 5.653 1.00 0.00 H new ATOM 0 HB3 LYS A 79 14.193 -4.124 5.206 1.00 0.00 H new ATOM 0 HG2 LYS A 79 15.592 -5.948 4.759 1.00 0.00 H new ATOM 0 HG3 LYS A 79 15.586 -5.184 3.182 1.00 0.00 H new ATOM 0 HD2 LYS A 79 17.689 -3.940 3.786 1.00 0.00 H new ATOM 0 HD3 LYS A 79 17.698 -4.726 5.352 1.00 0.00 H new ATOM 0 HE2 LYS A 79 17.800 -6.971 4.217 1.00 0.00 H new ATOM 0 HE3 LYS A 79 17.813 -6.175 2.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 20.059 -6.707 3.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 19.863 -5.023 3.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 19.850 -5.794 4.803 1.00 0.00 H new ATOM 1313 N LEU A 80 13.575 -3.842 2.094 1.00 0.00 N ATOM 1314 CA LEU A 80 12.294 -4.108 1.359 1.00 0.00 C ATOM 1315 C LEU A 80 11.841 -5.546 1.634 1.00 0.00 C ATOM 1316 O LEU A 80 12.625 -6.476 1.528 1.00 0.00 O ATOM 1317 CB LEU A 80 12.516 -3.927 -0.149 1.00 0.00 C ATOM 1318 CG LEU A 80 11.186 -4.104 -0.890 1.00 0.00 C ATOM 1319 CD1 LEU A 80 10.356 -2.827 -0.762 1.00 0.00 C ATOM 1320 CD2 LEU A 80 11.456 -4.390 -2.371 1.00 0.00 C ATOM 0 H LEU A 80 14.365 -4.412 1.791 1.00 0.00 H new ATOM 0 HA LEU A 80 11.530 -3.409 1.699 1.00 0.00 H new ATOM 0 HB2 LEU A 80 12.927 -2.938 -0.350 1.00 0.00 H new ATOM 0 HB3 LEU A 80 13.244 -4.654 -0.509 1.00 0.00 H new ATOM 0 HG LEU A 80 10.639 -4.939 -0.454 1.00 0.00 H new ATOM 0 HD11 LEU A 80 9.410 -2.953 -1.289 1.00 0.00 H new ATOM 0 HD12 LEU A 80 10.160 -2.624 0.291 1.00 0.00 H new ATOM 0 HD13 LEU A 80 10.905 -1.991 -1.196 1.00 0.00 H new ATOM 0 HD21 LEU A 80 10.509 -4.516 -2.896 1.00 0.00 H new ATOM 0 HD22 LEU A 80 12.006 -3.556 -2.808 1.00 0.00 H new ATOM 0 HD23 LEU A 80 12.046 -5.302 -2.464 1.00 0.00 H new ATOM 1332 N LYS A 81 10.582 -5.726 1.978 1.00 0.00 N ATOM 1333 CA LYS A 81 10.047 -7.095 2.261 1.00 0.00 C ATOM 1334 C LYS A 81 8.868 -7.386 1.330 1.00 0.00 C ATOM 1335 O LYS A 81 7.959 -6.581 1.203 1.00 0.00 O ATOM 1336 CB LYS A 81 9.580 -7.169 3.715 1.00 0.00 C ATOM 1337 CG LYS A 81 9.796 -8.584 4.256 1.00 0.00 C ATOM 1338 CD LYS A 81 9.409 -8.623 5.736 1.00 0.00 C ATOM 1339 CE LYS A 81 9.512 -10.057 6.259 1.00 0.00 C ATOM 1340 NZ LYS A 81 9.504 -10.042 7.749 1.00 0.00 N ATOM 0 H LYS A 81 9.900 -4.974 2.074 1.00 0.00 H new ATOM 0 HA LYS A 81 10.831 -7.833 2.093 1.00 0.00 H new ATOM 0 HB2 LYS A 81 10.131 -6.450 4.321 1.00 0.00 H new ATOM 0 HB3 LYS A 81 8.526 -6.901 3.782 1.00 0.00 H new ATOM 0 HG2 LYS A 81 9.195 -9.297 3.692 1.00 0.00 H new ATOM 0 HG3 LYS A 81 10.838 -8.878 4.133 1.00 0.00 H new ATOM 0 HD2 LYS A 81 10.064 -7.968 6.310 1.00 0.00 H new ATOM 0 HD3 LYS A 81 8.393 -8.250 5.866 1.00 0.00 H new ATOM 0 HE2 LYS A 81 8.679 -10.653 5.886 1.00 0.00 H new ATOM 0 HE3 LYS A 81 10.427 -10.524 5.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 9.574 -11.016 8.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 10.313 -9.487 8.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 8.619 -9.612 8.087 1.00 0.00 H new ATOM 1354 N LYS A 82 8.886 -8.534 0.689 1.00 0.00 N ATOM 1355 CA LYS A 82 7.782 -8.919 -0.244 1.00 0.00 C ATOM 1356 C LYS A 82 7.034 -10.126 0.325 1.00 0.00 C ATOM 1357 O LYS A 82 7.615 -11.181 0.525 1.00 0.00 O ATOM 1358 CB LYS A 82 8.374 -9.282 -1.607 1.00 0.00 C ATOM 1359 CG LYS A 82 7.332 -9.039 -2.700 1.00 0.00 C ATOM 1360 CD LYS A 82 7.996 -9.153 -4.077 1.00 0.00 C ATOM 1361 CE LYS A 82 7.041 -9.841 -5.054 1.00 0.00 C ATOM 1362 NZ LYS A 82 7.348 -11.299 -5.106 1.00 0.00 N ATOM 0 H LYS A 82 9.629 -9.227 0.776 1.00 0.00 H new ATOM 0 HA LYS A 82 7.091 -8.084 -0.358 1.00 0.00 H new ATOM 0 HB2 LYS A 82 9.264 -8.683 -1.799 1.00 0.00 H new ATOM 0 HB3 LYS A 82 8.685 -10.327 -1.613 1.00 0.00 H new ATOM 0 HG2 LYS A 82 6.523 -9.765 -2.614 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.888 -8.051 -2.580 1.00 0.00 H new ATOM 0 HD2 LYS A 82 8.259 -8.162 -4.448 1.00 0.00 H new ATOM 0 HD3 LYS A 82 8.923 -9.721 -3.999 1.00 0.00 H new ATOM 0 HE2 LYS A 82 6.009 -9.687 -4.739 1.00 0.00 H new ATOM 0 HE3 LYS A 82 7.141 -9.402 -6.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 6.699 -11.767 -5.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 8.328 -11.436 -5.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 7.231 -11.712 -4.159 1.00 0.00 H new ATOM 1376 N SER A 83 5.753 -9.969 0.585 1.00 0.00 N ATOM 1377 CA SER A 83 4.935 -11.093 1.144 1.00 0.00 C ATOM 1378 C SER A 83 3.485 -10.951 0.679 1.00 0.00 C ATOM 1379 O SER A 83 2.937 -9.862 0.664 1.00 0.00 O ATOM 1380 CB SER A 83 4.984 -11.053 2.674 1.00 0.00 C ATOM 1381 OG SER A 83 4.871 -9.705 3.115 1.00 0.00 O ATOM 0 H SER A 83 5.238 -9.102 0.432 1.00 0.00 H new ATOM 0 HA SER A 83 5.339 -12.042 0.792 1.00 0.00 H new ATOM 0 HB2 SER A 83 4.175 -11.653 3.091 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.918 -11.487 3.030 1.00 0.00 H new ATOM 0 HG SER A 83 4.900 -9.678 4.094 1.00 0.00 H new ATOM 1387 N SER A 84 2.870 -12.053 0.303 1.00 0.00 N ATOM 1388 CA SER A 84 1.450 -12.026 -0.168 1.00 0.00 C ATOM 1389 C SER A 84 0.514 -12.269 1.019 1.00 0.00 C ATOM 1390 O SER A 84 0.505 -13.344 1.597 1.00 0.00 O ATOM 1391 CB SER A 84 1.240 -13.118 -1.217 1.00 0.00 C ATOM 1392 OG SER A 84 1.430 -12.566 -2.514 1.00 0.00 O ATOM 0 H SER A 84 3.300 -12.978 0.304 1.00 0.00 H new ATOM 0 HA SER A 84 1.231 -11.053 -0.609 1.00 0.00 H new ATOM 0 HB2 SER A 84 1.940 -13.937 -1.051 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.236 -13.534 -1.130 1.00 0.00 H new ATOM 0 HG SER A 84 2.310 -12.137 -2.561 1.00 0.00 H new ATOM 1398 N ASN A 85 -0.267 -11.272 1.379 1.00 0.00 N ATOM 1399 CA ASN A 85 -1.219 -11.410 2.527 1.00 0.00 C ATOM 1400 C ASN A 85 -2.427 -10.496 2.304 1.00 0.00 C ATOM 1401 O ASN A 85 -2.396 -9.618 1.457 1.00 0.00 O ATOM 1402 CB ASN A 85 -0.508 -11.014 3.825 1.00 0.00 C ATOM 1403 CG ASN A 85 -1.241 -11.633 5.015 1.00 0.00 C ATOM 1404 OD1 ASN A 85 -1.019 -12.779 5.352 1.00 0.00 O ATOM 1405 ND2 ASN A 85 -2.113 -10.918 5.671 1.00 0.00 N ATOM 0 H ASN A 85 -0.283 -10.361 0.920 1.00 0.00 H new ATOM 0 HA ASN A 85 -1.558 -12.444 2.598 1.00 0.00 H new ATOM 0 HB2 ASN A 85 0.527 -11.355 3.804 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -0.484 -9.929 3.923 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -2.608 -11.321 6.466 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -2.300 -9.956 5.388 1.00 0.00 H new ATOM 1412 N THR A 86 -3.486 -10.704 3.061 1.00 0.00 N ATOM 1413 CA THR A 86 -4.717 -9.861 2.915 1.00 0.00 C ATOM 1414 C THR A 86 -4.495 -8.521 3.614 1.00 0.00 C ATOM 1415 O THR A 86 -3.613 -8.393 4.450 1.00 0.00 O ATOM 1416 CB THR A 86 -5.910 -10.579 3.554 1.00 0.00 C ATOM 1417 OG1 THR A 86 -5.572 -10.977 4.875 1.00 0.00 O ATOM 1418 CG2 THR A 86 -6.273 -11.812 2.724 1.00 0.00 C ATOM 0 H THR A 86 -3.547 -11.427 3.777 1.00 0.00 H new ATOM 0 HA THR A 86 -4.921 -9.694 1.857 1.00 0.00 H new ATOM 0 HB THR A 86 -6.764 -9.902 3.586 1.00 0.00 H new ATOM 0 HG1 THR A 86 -6.336 -11.435 5.284 1.00 0.00 H new ATOM 0 HG21 THR A 86 -7.122 -12.321 3.181 1.00 0.00 H new ATOM 0 HG22 THR A 86 -6.536 -11.505 1.712 1.00 0.00 H new ATOM 0 HG23 THR A 86 -5.420 -12.490 2.687 1.00 0.00 H new ATOM 1426 N ILE A 87 -5.286 -7.525 3.271 1.00 0.00 N ATOM 1427 CA ILE A 87 -5.137 -6.172 3.900 1.00 0.00 C ATOM 1428 C ILE A 87 -6.509 -5.588 4.237 1.00 0.00 C ATOM 1429 O ILE A 87 -7.480 -5.814 3.535 1.00 0.00 O ATOM 1430 CB ILE A 87 -4.411 -5.223 2.940 1.00 0.00 C ATOM 1431 CG1 ILE A 87 -5.029 -5.323 1.541 1.00 0.00 C ATOM 1432 CG2 ILE A 87 -2.931 -5.600 2.874 1.00 0.00 C ATOM 1433 CD1 ILE A 87 -4.623 -4.105 0.711 1.00 0.00 C ATOM 0 H ILE A 87 -6.032 -7.595 2.578 1.00 0.00 H new ATOM 0 HA ILE A 87 -4.556 -6.282 4.816 1.00 0.00 H new ATOM 0 HB ILE A 87 -4.511 -4.200 3.302 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -4.696 -6.237 1.050 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -6.115 -5.379 1.616 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -2.414 -4.926 2.191 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -2.490 -5.519 3.868 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -2.832 -6.625 2.516 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -5.064 -4.179 -0.283 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -4.978 -3.197 1.199 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -3.537 -4.069 0.625 1.00 0.00 H new ATOM 1445 N CYS A 88 -6.571 -4.825 5.306 1.00 0.00 N ATOM 1446 CA CYS A 88 -7.847 -4.177 5.736 1.00 0.00 C ATOM 1447 C CYS A 88 -7.792 -2.698 5.347 1.00 0.00 C ATOM 1448 O CYS A 88 -6.962 -1.956 5.847 1.00 0.00 O ATOM 1449 CB CYS A 88 -7.992 -4.306 7.255 1.00 0.00 C ATOM 1450 SG CYS A 88 -9.682 -3.889 7.751 1.00 0.00 S ATOM 0 H CYS A 88 -5.773 -4.623 5.908 1.00 0.00 H new ATOM 0 HA CYS A 88 -8.699 -4.657 5.254 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -7.753 -5.323 7.567 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -7.284 -3.645 7.754 1.00 0.00 H new ATOM 1455 N ILE A 89 -8.656 -2.277 4.447 1.00 0.00 N ATOM 1456 CA ILE A 89 -8.659 -0.848 3.992 1.00 0.00 C ATOM 1457 C ILE A 89 -10.050 -0.240 4.170 1.00 0.00 C ATOM 1458 O ILE A 89 -11.039 -0.951 4.260 1.00 0.00 O ATOM 1459 CB ILE A 89 -8.259 -0.780 2.514 1.00 0.00 C ATOM 1460 CG1 ILE A 89 -9.082 -1.793 1.706 1.00 0.00 C ATOM 1461 CG2 ILE A 89 -6.771 -1.103 2.373 1.00 0.00 C ATOM 1462 CD1 ILE A 89 -8.779 -1.629 0.216 1.00 0.00 C ATOM 0 H ILE A 89 -9.362 -2.867 4.007 1.00 0.00 H new ATOM 0 HA ILE A 89 -7.945 -0.285 4.593 1.00 0.00 H new ATOM 0 HB ILE A 89 -8.452 0.224 2.135 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -8.844 -2.807 2.026 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -10.146 -1.642 1.890 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -6.486 -1.055 1.322 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -6.186 -0.379 2.941 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -6.578 -2.105 2.755 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -9.364 -2.349 -0.356 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -9.039 -0.618 -0.099 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -7.717 -1.802 0.039 1.00 0.00 H new ATOM 1474 N THR A 90 -10.121 1.075 4.214 1.00 0.00 N ATOM 1475 CA THR A 90 -11.431 1.777 4.379 1.00 0.00 C ATOM 1476 C THR A 90 -11.964 2.171 3.000 1.00 0.00 C ATOM 1477 O THR A 90 -11.342 2.942 2.284 1.00 0.00 O ATOM 1478 CB THR A 90 -11.234 3.037 5.228 1.00 0.00 C ATOM 1479 OG1 THR A 90 -10.610 2.684 6.456 1.00 0.00 O ATOM 1480 CG2 THR A 90 -12.592 3.688 5.511 1.00 0.00 C ATOM 0 H THR A 90 -9.314 1.694 4.141 1.00 0.00 H new ATOM 0 HA THR A 90 -12.142 1.116 4.875 1.00 0.00 H new ATOM 0 HB THR A 90 -10.604 3.743 4.688 1.00 0.00 H new ATOM 0 HG1 THR A 90 -10.481 3.489 7.001 1.00 0.00 H new ATOM 0 HG21 THR A 90 -12.447 4.584 6.115 1.00 0.00 H new ATOM 0 HG22 THR A 90 -13.069 3.959 4.569 1.00 0.00 H new ATOM 0 HG23 THR A 90 -13.227 2.985 6.050 1.00 0.00 H new ATOM 1488 N CYS A 91 -13.106 1.634 2.631 1.00 0.00 N ATOM 1489 CA CYS A 91 -13.711 1.944 1.300 1.00 0.00 C ATOM 1490 C CYS A 91 -14.584 3.194 1.410 1.00 0.00 C ATOM 1491 O CYS A 91 -15.245 3.409 2.412 1.00 0.00 O ATOM 1492 CB CYS A 91 -14.570 0.764 0.847 1.00 0.00 C ATOM 1493 SG CYS A 91 -14.524 0.644 -0.958 1.00 0.00 S ATOM 0 H CYS A 91 -13.648 0.987 3.205 1.00 0.00 H new ATOM 0 HA CYS A 91 -12.917 2.120 0.574 1.00 0.00 H new ATOM 0 HB2 CYS A 91 -14.202 -0.160 1.293 1.00 0.00 H new ATOM 0 HB3 CYS A 91 -15.597 0.896 1.188 1.00 0.00 H new ATOM 1498 N GLU A 92 -14.581 4.009 0.378 1.00 0.00 N ATOM 1499 CA GLU A 92 -15.401 5.260 0.379 1.00 0.00 C ATOM 1500 C GLU A 92 -15.540 5.776 -1.055 1.00 0.00 C ATOM 1501 O GLU A 92 -14.556 5.952 -1.755 1.00 0.00 O ATOM 1502 CB GLU A 92 -14.711 6.324 1.237 1.00 0.00 C ATOM 1503 CG GLU A 92 -15.629 7.540 1.374 1.00 0.00 C ATOM 1504 CD GLU A 92 -14.962 8.587 2.269 1.00 0.00 C ATOM 1505 OE1 GLU A 92 -14.607 8.246 3.385 1.00 0.00 O ATOM 1506 OE2 GLU A 92 -14.816 9.713 1.822 1.00 0.00 O ATOM 0 H GLU A 92 -14.039 3.856 -0.472 1.00 0.00 H new ATOM 0 HA GLU A 92 -16.388 5.047 0.789 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -14.478 5.918 2.221 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -13.766 6.618 0.781 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -15.836 7.965 0.392 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -16.587 7.240 1.800 1.00 0.00 H new ATOM 1513 N ASN A 93 -16.759 6.024 -1.485 1.00 0.00 N ATOM 1514 CA ASN A 93 -17.007 6.542 -2.871 1.00 0.00 C ATOM 1515 C ASN A 93 -16.551 5.497 -3.908 1.00 0.00 C ATOM 1516 O ASN A 93 -15.938 5.824 -4.916 1.00 0.00 O ATOM 1517 CB ASN A 93 -16.241 7.865 -3.062 1.00 0.00 C ATOM 1518 CG ASN A 93 -17.219 8.987 -3.423 1.00 0.00 C ATOM 1519 OD1 ASN A 93 -17.098 9.603 -4.463 1.00 0.00 O ATOM 1520 ND2 ASN A 93 -18.188 9.280 -2.600 1.00 0.00 N ATOM 0 H ASN A 93 -17.601 5.887 -0.926 1.00 0.00 H new ATOM 0 HA ASN A 93 -18.072 6.725 -3.012 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -15.704 8.119 -2.148 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -15.496 7.753 -3.849 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -18.844 10.026 -2.830 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -18.289 8.763 -1.727 1.00 0.00 H new ATOM 1527 N LYS A 94 -16.873 4.241 -3.670 1.00 0.00 N ATOM 1528 CA LYS A 94 -16.498 3.150 -4.625 1.00 0.00 C ATOM 1529 C LYS A 94 -14.970 3.057 -4.769 1.00 0.00 C ATOM 1530 O LYS A 94 -14.477 2.487 -5.731 1.00 0.00 O ATOM 1531 CB LYS A 94 -17.126 3.449 -5.995 1.00 0.00 C ATOM 1532 CG LYS A 94 -18.417 2.643 -6.161 1.00 0.00 C ATOM 1533 CD LYS A 94 -19.215 3.192 -7.349 1.00 0.00 C ATOM 1534 CE LYS A 94 -20.252 4.211 -6.860 1.00 0.00 C ATOM 1535 NZ LYS A 94 -19.987 5.532 -7.499 1.00 0.00 N ATOM 0 H LYS A 94 -17.385 3.927 -2.845 1.00 0.00 H new ATOM 0 HA LYS A 94 -16.867 2.199 -4.242 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -17.338 4.515 -6.083 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -16.424 3.197 -6.790 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -18.183 1.591 -6.322 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -19.014 2.701 -5.251 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -18.540 3.662 -8.064 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -19.714 2.375 -7.871 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -21.258 3.870 -7.107 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -20.204 4.303 -5.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -20.689 6.224 -7.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -19.033 5.857 -7.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -20.054 5.437 -8.533 1.00 0.00 H new ATOM 1549 N LEU A 95 -14.219 3.602 -3.827 1.00 0.00 N ATOM 1550 CA LEU A 95 -12.722 3.538 -3.916 1.00 0.00 C ATOM 1551 C LEU A 95 -12.094 3.542 -2.506 1.00 0.00 C ATOM 1552 O LEU A 95 -12.649 4.143 -1.605 1.00 0.00 O ATOM 1553 CB LEU A 95 -12.183 4.731 -4.723 1.00 0.00 C ATOM 1554 CG LEU A 95 -12.863 6.049 -4.308 1.00 0.00 C ATOM 1555 CD1 LEU A 95 -12.086 6.716 -3.172 1.00 0.00 C ATOM 1556 CD2 LEU A 95 -12.895 6.991 -5.514 1.00 0.00 C ATOM 0 H LEU A 95 -14.581 4.086 -3.005 1.00 0.00 H new ATOM 0 HA LEU A 95 -12.451 2.611 -4.422 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -11.106 4.814 -4.575 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -12.346 4.556 -5.786 1.00 0.00 H new ATOM 0 HG LEU A 95 -13.875 5.836 -3.965 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -12.580 7.646 -2.891 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -12.054 6.048 -2.312 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -11.070 6.930 -3.503 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -13.375 7.928 -5.231 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -11.876 7.191 -5.847 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -13.457 6.526 -6.324 1.00 0.00 H new ATOM 1568 N PRO A 96 -10.947 2.875 -2.348 1.00 0.00 N ATOM 1569 CA PRO A 96 -10.238 2.807 -1.050 1.00 0.00 C ATOM 1570 C PRO A 96 -9.374 4.059 -0.872 1.00 0.00 C ATOM 1571 O PRO A 96 -8.886 4.608 -1.847 1.00 0.00 O ATOM 1572 CB PRO A 96 -9.352 1.567 -1.187 1.00 0.00 C ATOM 1573 CG PRO A 96 -9.144 1.342 -2.705 1.00 0.00 C ATOM 1574 CD PRO A 96 -10.252 2.129 -3.431 1.00 0.00 C ATOM 0 HA PRO A 96 -10.908 2.753 -0.192 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -8.397 1.714 -0.682 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -9.825 0.699 -0.727 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -8.158 1.688 -3.015 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -9.201 0.281 -2.949 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -9.835 2.807 -4.176 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -10.936 1.461 -3.955 1.00 0.00 H new ATOM 1582 N VAL A 97 -9.190 4.517 0.354 1.00 0.00 N ATOM 1583 CA VAL A 97 -8.360 5.752 0.580 1.00 0.00 C ATOM 1584 C VAL A 97 -7.463 5.644 1.828 1.00 0.00 C ATOM 1585 O VAL A 97 -6.529 6.419 1.965 1.00 0.00 O ATOM 1586 CB VAL A 97 -9.286 6.960 0.732 1.00 0.00 C ATOM 1587 CG1 VAL A 97 -10.087 7.156 -0.558 1.00 0.00 C ATOM 1588 CG2 VAL A 97 -10.247 6.724 1.899 1.00 0.00 C ATOM 0 H VAL A 97 -9.575 4.093 1.198 1.00 0.00 H new ATOM 0 HA VAL A 97 -7.706 5.867 -0.284 1.00 0.00 H new ATOM 0 HB VAL A 97 -8.690 7.851 0.928 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -10.747 8.017 -0.449 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -9.402 7.326 -1.389 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -10.683 6.265 -0.755 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -10.907 7.585 2.007 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -10.843 5.832 1.705 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -9.677 6.586 2.818 1.00 0.00 H new ATOM 1598 N HIS A 98 -7.736 4.727 2.742 1.00 0.00 N ATOM 1599 CA HIS A 98 -6.891 4.620 3.982 1.00 0.00 C ATOM 1600 C HIS A 98 -6.416 3.181 4.205 1.00 0.00 C ATOM 1601 O HIS A 98 -7.109 2.231 3.883 1.00 0.00 O ATOM 1602 CB HIS A 98 -7.718 5.064 5.192 1.00 0.00 C ATOM 1603 CG HIS A 98 -7.574 6.549 5.396 1.00 0.00 C ATOM 1604 ND1 HIS A 98 -8.336 7.241 6.324 1.00 0.00 N ATOM 1605 CD2 HIS A 98 -6.762 7.488 4.805 1.00 0.00 C ATOM 1606 CE1 HIS A 98 -7.973 8.535 6.266 1.00 0.00 C ATOM 1607 NE2 HIS A 98 -7.016 8.740 5.356 1.00 0.00 N ATOM 0 H HIS A 98 -8.501 4.056 2.680 1.00 0.00 H new ATOM 0 HA HIS A 98 -6.017 5.259 3.859 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -8.767 4.809 5.039 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -7.387 4.532 6.084 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -6.037 7.285 4.031 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -8.402 9.313 6.880 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -6.568 9.625 5.117 1.00 0.00 H new ATOM 1615 N PHE A 99 -5.237 3.032 4.782 1.00 0.00 N ATOM 1616 CA PHE A 99 -4.676 1.675 5.078 1.00 0.00 C ATOM 1617 C PHE A 99 -4.894 1.374 6.561 1.00 0.00 C ATOM 1618 O PHE A 99 -4.194 1.900 7.413 1.00 0.00 O ATOM 1619 CB PHE A 99 -3.174 1.655 4.772 1.00 0.00 C ATOM 1620 CG PHE A 99 -2.736 0.239 4.475 1.00 0.00 C ATOM 1621 CD1 PHE A 99 -3.387 -0.503 3.481 1.00 0.00 C ATOM 1622 CD2 PHE A 99 -1.678 -0.333 5.194 1.00 0.00 C ATOM 1623 CE1 PHE A 99 -2.982 -1.814 3.206 1.00 0.00 C ATOM 1624 CE2 PHE A 99 -1.274 -1.645 4.919 1.00 0.00 C ATOM 1625 CZ PHE A 99 -1.925 -2.386 3.925 1.00 0.00 C ATOM 0 H PHE A 99 -4.637 3.808 5.062 1.00 0.00 H new ATOM 0 HA PHE A 99 -5.174 0.926 4.462 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -2.958 2.300 3.920 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -2.614 2.049 5.620 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -4.202 -0.063 2.926 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -1.174 0.238 5.960 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -3.485 -2.385 2.439 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -0.459 -2.086 5.474 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.612 -3.398 3.713 1.00 0.00 H new ATOM 1635 N VAL A 100 -5.872 0.549 6.870 1.00 0.00 N ATOM 1636 CA VAL A 100 -6.177 0.217 8.298 1.00 0.00 C ATOM 1637 C VAL A 100 -5.135 -0.752 8.863 1.00 0.00 C ATOM 1638 O VAL A 100 -4.393 -0.399 9.766 1.00 0.00 O ATOM 1639 CB VAL A 100 -7.563 -0.422 8.400 1.00 0.00 C ATOM 1640 CG1 VAL A 100 -7.950 -0.553 9.875 1.00 0.00 C ATOM 1641 CG2 VAL A 100 -8.591 0.460 7.685 1.00 0.00 C ATOM 0 H VAL A 100 -6.474 0.090 6.187 1.00 0.00 H new ATOM 0 HA VAL A 100 -6.153 1.141 8.875 1.00 0.00 H new ATOM 0 HB VAL A 100 -7.544 -1.407 7.933 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -8.937 -1.008 9.953 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -7.220 -1.179 10.388 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -7.968 0.435 10.335 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -9.577 0.002 7.759 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -8.612 1.445 8.151 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -8.316 0.561 6.635 1.00 0.00 H new ATOM 1651 N ALA A 101 -5.090 -1.971 8.356 1.00 0.00 N ATOM 1652 CA ALA A 101 -4.112 -2.978 8.880 1.00 0.00 C ATOM 1653 C ALA A 101 -4.037 -4.190 7.936 1.00 0.00 C ATOM 1654 O ALA A 101 -4.353 -4.083 6.763 1.00 0.00 O ATOM 1655 CB ALA A 101 -4.568 -3.422 10.274 1.00 0.00 C ATOM 0 H ALA A 101 -5.690 -2.306 7.603 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.119 -2.531 8.939 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -3.866 -4.156 10.670 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -4.603 -2.558 10.938 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -5.560 -3.868 10.207 1.00 0.00 H new ATOM 1661 N VAL A 102 -3.605 -5.332 8.444 1.00 0.00 N ATOM 1662 CA VAL A 102 -3.484 -6.568 7.604 1.00 0.00 C ATOM 1663 C VAL A 102 -4.578 -7.583 8.020 1.00 0.00 C ATOM 1664 O VAL A 102 -5.707 -7.190 8.261 1.00 0.00 O ATOM 1665 CB VAL A 102 -2.073 -7.142 7.796 1.00 0.00 C ATOM 1666 CG1 VAL A 102 -1.041 -6.093 7.374 1.00 0.00 C ATOM 1667 CG2 VAL A 102 -1.858 -7.497 9.271 1.00 0.00 C ATOM 0 H VAL A 102 -3.329 -5.455 9.418 1.00 0.00 H new ATOM 0 HA VAL A 102 -3.630 -6.341 6.548 1.00 0.00 H new ATOM 0 HB VAL A 102 -1.960 -8.039 7.187 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -0.037 -6.496 7.508 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -1.191 -5.836 6.326 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -1.159 -5.200 7.987 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -0.856 -7.904 9.405 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -1.970 -6.601 9.881 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -2.595 -8.239 9.578 1.00 0.00 H new ATOM 1677 N GLU A 103 -4.266 -8.878 8.094 1.00 0.00 N ATOM 1678 CA GLU A 103 -5.288 -9.916 8.481 1.00 0.00 C ATOM 1679 C GLU A 103 -6.081 -9.470 9.720 1.00 0.00 C ATOM 1680 O GLU A 103 -7.223 -9.861 9.898 1.00 0.00 O ATOM 1681 CB GLU A 103 -4.574 -11.236 8.793 1.00 0.00 C ATOM 1682 CG GLU A 103 -5.548 -12.403 8.615 1.00 0.00 C ATOM 1683 CD GLU A 103 -4.892 -13.698 9.100 1.00 0.00 C ATOM 1684 OE1 GLU A 103 -4.497 -13.744 10.254 1.00 0.00 O ATOM 1685 OE2 GLU A 103 -4.794 -14.621 8.309 1.00 0.00 O ATOM 0 H GLU A 103 -3.337 -9.252 7.899 1.00 0.00 H new ATOM 0 HA GLU A 103 -5.981 -10.046 7.650 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -3.716 -11.362 8.133 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -4.191 -11.221 9.813 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -6.463 -12.215 9.176 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -5.831 -12.497 7.567 1.00 0.00 H new ATOM 1692 N GLU A 104 -5.479 -8.659 10.564 1.00 0.00 N ATOM 1693 CA GLU A 104 -6.175 -8.173 11.798 1.00 0.00 C ATOM 1694 C GLU A 104 -6.505 -6.686 11.642 1.00 0.00 C ATOM 1695 O GLU A 104 -5.617 -5.859 11.520 1.00 0.00 O ATOM 1696 CB GLU A 104 -5.263 -8.371 13.014 1.00 0.00 C ATOM 1697 CG GLU A 104 -5.472 -9.775 13.603 1.00 0.00 C ATOM 1698 CD GLU A 104 -4.231 -10.637 13.350 1.00 0.00 C ATOM 1699 OE1 GLU A 104 -4.144 -11.217 12.281 1.00 0.00 O ATOM 1700 OE2 GLU A 104 -3.388 -10.700 14.230 1.00 0.00 O ATOM 0 H GLU A 104 -4.527 -8.312 10.447 1.00 0.00 H new ATOM 0 HA GLU A 104 -7.096 -8.738 11.943 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -4.221 -8.241 12.723 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -5.480 -7.615 13.769 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -5.664 -9.705 14.674 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -6.348 -10.242 13.152 1.00 0.00 H new ATOM 1707 N CYS A 105 -7.779 -6.353 11.639 1.00 0.00 N ATOM 1708 CA CYS A 105 -8.212 -4.926 11.486 1.00 0.00 C ATOM 1709 C CYS A 105 -8.537 -4.331 12.875 1.00 0.00 C ATOM 1710 O CYS A 105 -9.563 -4.667 13.441 1.00 0.00 O ATOM 1711 CB CYS A 105 -9.466 -4.877 10.607 1.00 0.00 C ATOM 1712 SG CYS A 105 -9.501 -3.321 9.683 1.00 0.00 S ATOM 0 H CYS A 105 -8.545 -7.020 11.737 1.00 0.00 H new ATOM 0 HA CYS A 105 -7.412 -4.347 11.024 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -9.472 -5.721 9.917 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -10.359 -4.964 11.225 1.00 0.00 H new