USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 895 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 77 GLN : amide:sc= -4.36! C(o=-3.3!,f=-8.8!) USER MOD Set 1.2: A 79 THR OG1 : rot 35:sc= 1.03 USER MOD Set 2.1: A 71 ASN : amide:sc= -3.36! C(o=-3.3!,f=-7.5!) USER MOD Set 2.2: A 74 THR OG1 : rot 180:sc= 0.0732 USER MOD Set 3.1: A 2 GLN : amide:sc= -4.59! C(o=-4.4!,f=-2.9!) USER MOD Set 3.2: A 4 ASN : amide:sc= 0.186 K(o=-4.4,f=-2.9) USER MOD Single : A 1 GLU N :NH3+ -142:sc= 1.52 (180deg=-1.05!) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.221 USER MOD Single : A 10 TYR OH : rot -172:sc= -0.798 USER MOD Single : A 11 HIS : no HD1:sc= -1.05 X(o=-1.1,f=-0.63) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot -6:sc= 1.3 USER MOD Single : A 17 GLN : amide:sc= -0.0775 X(o=-0.078,f=0) USER MOD Single : A 18 ASN : amide:sc= -0.577 K(o=-0.58,f=-0.01) USER MOD Single : A 19 ASN : amide:sc= -2.16 K(o=-2.2,f=-7.8!) USER MOD Single : A 28 SER OG : rot 60:sc= 0.798 USER MOD Single : A 30 TYR OH : rot 180:sc=-0.000485 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -94:sc= 0.437 USER MOD Single : A 38 LYS NZ :NH3+ 124:sc= -0.106 (180deg=-0.742) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= -0.0778 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 108:sc= 1.21 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0213 USER MOD Single : A 60 GLN : amide:sc= -0.161 X(o=-0.16,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.188 USER MOD Single : A 85 GLN : amide:sc= 0.456 X(o=0.46,f=0) USER MOD Single : A 88 ASN : amide:sc= -0.179 K(o=-0.18,f=-5.1!) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc=-0.00617 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot 180:sc= -0.249 USER MOD Single : A 105 ASN : amide:sc= -0.502! C(o=-0.5!,f=-14!) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc=-0.00106 X(o=-0.0011,f=-0.0011) USER MOD Single : A 111 GLN : amide:sc= -0.672 K(o=-0.67,f=0) USER MOD Single : A 113 HIS : no HD1:sc= -1.75 K(o=-1.7,f=-3.8!) USER MOD Single : A 115 ASN : amide:sc= -3.58! K(o=-3.6!,f=-1.7) USER MOD Single : A 117 ASN : amide:sc= -2.88! C(o=-2.9!,f=-9!) USER MOD Single : A 118 TYR OH : rot 30:sc= -0.603 USER MOD Single : A 119 GLN : amide:sc= -6.15! K(o=-6.2!,f=-3.5) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 2.878 15.046 -1.268 1.00 0.00 N ATOM 2 CA GLU A 1 4.288 15.525 -1.411 1.00 0.00 C ATOM 3 C GLU A 1 5.200 14.493 -2.062 1.00 0.00 C ATOM 4 O GLU A 1 4.712 13.461 -2.473 1.00 0.00 O ATOM 5 CB GLU A 1 4.779 15.929 0.018 1.00 0.00 C ATOM 6 CG GLU A 1 3.676 16.892 0.605 1.00 0.00 C ATOM 7 CD GLU A 1 3.172 17.828 -0.499 1.00 0.00 C ATOM 8 OE1 GLU A 1 3.896 18.759 -0.758 1.00 0.00 O ATOM 9 OE2 GLU A 1 2.113 17.520 -1.027 1.00 0.00 O ATOM 0 H1 GLU A 1 2.224 15.833 -1.452 1.00 0.00 H new ATOM 0 H2 GLU A 1 2.700 14.282 -1.950 1.00 0.00 H new ATOM 0 H3 GLU A 1 2.729 14.690 -0.302 1.00 0.00 H new ATOM 0 HA GLU A 1 4.323 16.381 -2.085 1.00 0.00 H new ATOM 0 HB2 GLU A 1 4.905 15.050 0.650 1.00 0.00 H new ATOM 0 HB3 GLU A 1 5.747 16.428 -0.029 1.00 0.00 H new ATOM 0 HG2 GLU A 1 2.848 16.310 1.009 1.00 0.00 H new ATOM 0 HG3 GLU A 1 4.088 17.474 1.429 1.00 0.00 H new ATOM 18 N GLN A 2 6.470 14.805 -2.130 1.00 0.00 N ATOM 19 CA GLN A 2 7.464 13.871 -2.747 1.00 0.00 C ATOM 20 C GLN A 2 8.301 13.220 -1.647 1.00 0.00 C ATOM 21 O GLN A 2 8.616 13.865 -0.665 1.00 0.00 O ATOM 22 CB GLN A 2 8.381 14.686 -3.731 1.00 0.00 C ATOM 23 CG GLN A 2 9.781 13.955 -4.007 1.00 0.00 C ATOM 24 CD GLN A 2 10.809 14.069 -2.855 1.00 0.00 C ATOM 25 OE1 GLN A 2 11.840 13.435 -2.810 1.00 0.00 O ATOM 26 NE2 GLN A 2 10.613 14.864 -1.860 1.00 0.00 N ATOM 0 H GLN A 2 6.866 15.678 -1.780 1.00 0.00 H new ATOM 0 HA GLN A 2 6.952 13.085 -3.303 1.00 0.00 H new ATOM 0 HB2 GLN A 2 7.857 14.831 -4.676 1.00 0.00 H new ATOM 0 HB3 GLN A 2 8.567 15.676 -3.315 1.00 0.00 H new ATOM 0 HG2 GLN A 2 9.592 12.900 -4.204 1.00 0.00 H new ATOM 0 HG3 GLN A 2 10.222 14.374 -4.912 1.00 0.00 H new ATOM 0 HE21 GLN A 2 9.768 15.434 -1.822 1.00 0.00 H new ATOM 0 HE22 GLN A 2 11.303 14.923 -1.111 1.00 0.00 H new ATOM 35 N ALA A 3 8.615 11.969 -1.860 1.00 0.00 N ATOM 36 CA ALA A 3 9.443 11.212 -0.870 1.00 0.00 C ATOM 37 C ALA A 3 10.489 10.337 -1.624 1.00 0.00 C ATOM 38 O ALA A 3 10.173 9.843 -2.692 1.00 0.00 O ATOM 39 CB ALA A 3 8.460 10.372 -0.041 1.00 0.00 C ATOM 0 H ALA A 3 8.333 11.435 -2.682 1.00 0.00 H new ATOM 0 HA ALA A 3 10.011 11.868 -0.211 1.00 0.00 H new ATOM 0 HB1 ALA A 3 9.011 9.795 0.702 1.00 0.00 H new ATOM 0 HB2 ALA A 3 7.753 11.031 0.463 1.00 0.00 H new ATOM 0 HB3 ALA A 3 7.918 9.693 -0.698 1.00 0.00 H new ATOM 45 N ASN A 4 11.659 10.178 -1.054 1.00 0.00 N ATOM 46 CA ASN A 4 12.764 9.357 -1.670 1.00 0.00 C ATOM 47 C ASN A 4 13.229 8.242 -0.727 1.00 0.00 C ATOM 48 O ASN A 4 12.929 8.298 0.449 1.00 0.00 O ATOM 49 CB ASN A 4 13.984 10.274 -2.013 1.00 0.00 C ATOM 50 CG ASN A 4 14.459 11.137 -0.845 1.00 0.00 C ATOM 51 OD1 ASN A 4 15.204 10.760 0.030 1.00 0.00 O ATOM 52 ND2 ASN A 4 14.038 12.354 -0.789 1.00 0.00 N ATOM 0 H ASN A 4 11.907 10.596 -0.157 1.00 0.00 H new ATOM 0 HA ASN A 4 12.368 8.902 -2.578 1.00 0.00 H new ATOM 0 HB2 ASN A 4 14.811 9.650 -2.350 1.00 0.00 H new ATOM 0 HB3 ASN A 4 13.715 10.924 -2.846 1.00 0.00 H new ATOM 0 HD21 ASN A 4 14.335 12.962 -0.025 1.00 0.00 H new ATOM 0 HD22 ASN A 4 13.408 12.709 -1.508 1.00 0.00 H new ATOM 59 N ASP A 5 13.921 7.296 -1.300 1.00 0.00 N ATOM 60 CA ASP A 5 14.479 6.123 -0.578 1.00 0.00 C ATOM 61 C ASP A 5 13.663 5.681 0.654 1.00 0.00 C ATOM 62 O ASP A 5 14.116 5.624 1.785 1.00 0.00 O ATOM 63 CB ASP A 5 15.924 6.574 -0.315 1.00 0.00 C ATOM 64 CG ASP A 5 16.695 6.233 -1.573 1.00 0.00 C ATOM 65 OD1 ASP A 5 16.988 5.050 -1.669 1.00 0.00 O ATOM 66 OD2 ASP A 5 16.919 7.152 -2.346 1.00 0.00 O ATOM 0 H ASP A 5 14.132 7.293 -2.298 1.00 0.00 H new ATOM 0 HA ASP A 5 14.437 5.192 -1.144 1.00 0.00 H new ATOM 0 HB2 ASP A 5 15.969 7.643 -0.106 1.00 0.00 H new ATOM 0 HB3 ASP A 5 16.342 6.062 0.552 1.00 0.00 H new ATOM 71 N VAL A 6 12.442 5.371 0.329 1.00 0.00 N ATOM 72 CA VAL A 6 11.470 4.919 1.355 1.00 0.00 C ATOM 73 C VAL A 6 11.393 3.382 1.288 1.00 0.00 C ATOM 74 O VAL A 6 11.346 2.799 0.216 1.00 0.00 O ATOM 75 CB VAL A 6 10.078 5.555 1.048 1.00 0.00 C ATOM 76 CG1 VAL A 6 9.143 5.372 2.257 1.00 0.00 C ATOM 77 CG2 VAL A 6 10.214 7.067 0.750 1.00 0.00 C ATOM 0 H VAL A 6 12.072 5.413 -0.620 1.00 0.00 H new ATOM 0 HA VAL A 6 11.778 5.226 2.355 1.00 0.00 H new ATOM 0 HB VAL A 6 9.665 5.055 0.172 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.173 5.818 2.037 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.016 4.309 2.461 1.00 0.00 H new ATOM 0 HG13 VAL A 6 9.577 5.860 3.130 1.00 0.00 H new ATOM 0 HG21 VAL A 6 9.230 7.486 0.539 1.00 0.00 H new ATOM 0 HG22 VAL A 6 10.646 7.571 1.615 1.00 0.00 H new ATOM 0 HG23 VAL A 6 10.862 7.211 -0.114 1.00 0.00 H new ATOM 87 N ARG A 7 11.387 2.827 2.473 1.00 0.00 N ATOM 88 CA ARG A 7 11.313 1.348 2.693 1.00 0.00 C ATOM 89 C ARG A 7 10.003 0.742 2.155 1.00 0.00 C ATOM 90 O ARG A 7 8.939 1.098 2.614 1.00 0.00 O ATOM 91 CB ARG A 7 11.426 1.056 4.235 1.00 0.00 C ATOM 92 CG ARG A 7 10.383 1.899 5.075 1.00 0.00 C ATOM 93 CD ARG A 7 9.874 1.066 6.271 1.00 0.00 C ATOM 94 NE ARG A 7 8.901 1.921 7.050 1.00 0.00 N ATOM 95 CZ ARG A 7 7.633 1.707 7.035 1.00 0.00 C ATOM 96 NH1 ARG A 7 7.003 2.234 6.063 1.00 0.00 N ATOM 97 NH2 ARG A 7 7.092 1.008 7.957 1.00 0.00 N ATOM 0 H ARG A 7 11.433 3.365 3.338 1.00 0.00 H new ATOM 0 HA ARG A 7 12.136 0.887 2.147 1.00 0.00 H new ATOM 0 HB2 ARG A 7 11.263 -0.006 4.416 1.00 0.00 H new ATOM 0 HB3 ARG A 7 12.436 1.286 4.575 1.00 0.00 H new ATOM 0 HG2 ARG A 7 10.849 2.817 5.433 1.00 0.00 H new ATOM 0 HG3 ARG A 7 9.545 2.192 4.442 1.00 0.00 H new ATOM 0 HD2 ARG A 7 9.387 0.155 5.922 1.00 0.00 H new ATOM 0 HD3 ARG A 7 10.706 0.760 6.905 1.00 0.00 H new ATOM 0 HE ARG A 7 9.263 2.695 7.607 1.00 0.00 H new ATOM 0 HH11 ARG A 7 7.507 2.781 5.365 1.00 0.00 H new ATOM 0 HH12 ARG A 7 5.994 2.109 5.982 1.00 0.00 H new ATOM 0 HH21 ARG A 7 7.666 0.619 8.705 1.00 0.00 H new ATOM 0 HH22 ARG A 7 6.086 0.838 7.945 1.00 0.00 H new ATOM 111 N ALA A 8 10.070 -0.141 1.210 1.00 0.00 N ATOM 112 CA ALA A 8 8.839 -0.777 0.646 1.00 0.00 C ATOM 113 C ALA A 8 8.954 -2.319 0.587 1.00 0.00 C ATOM 114 O ALA A 8 9.902 -2.860 0.045 1.00 0.00 O ATOM 115 CB ALA A 8 8.589 -0.188 -0.779 1.00 0.00 C ATOM 0 H ALA A 8 10.942 -0.462 0.789 1.00 0.00 H new ATOM 0 HA ALA A 8 7.997 -0.555 1.301 1.00 0.00 H new ATOM 0 HB1 ALA A 8 7.694 -0.640 -1.208 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.452 0.891 -0.708 1.00 0.00 H new ATOM 0 HB3 ALA A 8 9.446 -0.404 -1.417 1.00 0.00 H new ATOM 121 N THR A 9 7.962 -2.933 1.179 1.00 0.00 N ATOM 122 CA THR A 9 7.838 -4.428 1.249 1.00 0.00 C ATOM 123 C THR A 9 6.621 -4.752 0.405 1.00 0.00 C ATOM 124 O THR A 9 5.708 -3.960 0.268 1.00 0.00 O ATOM 125 CB THR A 9 7.544 -4.971 2.685 1.00 0.00 C ATOM 126 OG1 THR A 9 7.304 -6.374 2.526 1.00 0.00 O ATOM 127 CG2 THR A 9 6.224 -4.473 3.273 1.00 0.00 C ATOM 0 H THR A 9 7.197 -2.439 1.638 1.00 0.00 H new ATOM 0 HA THR A 9 8.776 -4.877 0.923 1.00 0.00 H new ATOM 0 HB THR A 9 8.376 -4.669 3.321 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.113 -6.774 3.400 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.089 -4.892 4.270 1.00 0.00 H new ATOM 0 HG22 THR A 9 6.241 -3.385 3.335 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.399 -4.787 2.633 1.00 0.00 H new ATOM 135 N TYR A 10 6.680 -5.935 -0.111 1.00 0.00 N ATOM 136 CA TYR A 10 5.579 -6.460 -0.980 1.00 0.00 C ATOM 137 C TYR A 10 4.511 -6.984 -0.023 1.00 0.00 C ATOM 138 O TYR A 10 4.863 -7.280 1.112 1.00 0.00 O ATOM 139 CB TYR A 10 6.167 -7.591 -1.856 1.00 0.00 C ATOM 140 CG TYR A 10 7.300 -8.336 -1.127 1.00 0.00 C ATOM 141 CD1 TYR A 10 7.059 -9.040 0.039 1.00 0.00 C ATOM 142 CD2 TYR A 10 8.584 -8.292 -1.632 1.00 0.00 C ATOM 143 CE1 TYR A 10 8.086 -9.688 0.689 1.00 0.00 C ATOM 144 CE2 TYR A 10 9.609 -8.943 -0.974 1.00 0.00 C ATOM 145 CZ TYR A 10 9.358 -9.642 0.187 1.00 0.00 C ATOM 146 OH TYR A 10 10.361 -10.305 0.856 1.00 0.00 O ATOM 0 H TYR A 10 7.456 -6.582 0.029 1.00 0.00 H new ATOM 0 HA TYR A 10 5.148 -5.710 -1.644 1.00 0.00 H new ATOM 0 HB2 TYR A 10 5.378 -8.295 -2.121 1.00 0.00 H new ATOM 0 HB3 TYR A 10 6.546 -7.172 -2.788 1.00 0.00 H new ATOM 0 HD1 TYR A 10 6.058 -9.082 0.443 1.00 0.00 H new ATOM 0 HD2 TYR A 10 8.787 -7.748 -2.543 1.00 0.00 H new ATOM 0 HE1 TYR A 10 7.886 -10.235 1.599 1.00 0.00 H new ATOM 0 HE2 TYR A 10 10.613 -8.904 -1.371 1.00 0.00 H new ATOM 0 HH TYR A 10 11.226 -10.079 0.455 1.00 0.00 H new ATOM 156 N HIS A 11 3.272 -7.091 -0.434 1.00 0.00 N ATOM 157 CA HIS A 11 2.280 -7.622 0.569 1.00 0.00 C ATOM 158 C HIS A 11 1.379 -8.690 -0.034 1.00 0.00 C ATOM 159 O HIS A 11 1.173 -8.721 -1.226 1.00 0.00 O ATOM 160 CB HIS A 11 1.410 -6.474 1.095 1.00 0.00 C ATOM 161 CG HIS A 11 0.619 -7.008 2.303 1.00 0.00 C ATOM 162 ND1 HIS A 11 1.075 -7.012 3.508 1.00 0.00 N ATOM 163 CD2 HIS A 11 -0.644 -7.577 2.429 1.00 0.00 C ATOM 164 CE1 HIS A 11 0.196 -7.524 4.313 1.00 0.00 C ATOM 165 NE2 HIS A 11 -0.887 -7.888 3.683 1.00 0.00 N ATOM 0 H HIS A 11 2.913 -6.853 -1.359 1.00 0.00 H new ATOM 0 HA HIS A 11 2.847 -8.074 1.383 1.00 0.00 H new ATOM 0 HB2 HIS A 11 2.030 -5.626 1.387 1.00 0.00 H new ATOM 0 HB3 HIS A 11 0.732 -6.120 0.319 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -1.330 -7.741 1.611 1.00 0.00 H new ATOM 0 HE1 HIS A 11 0.343 -7.636 5.377 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -1.727 -8.315 4.073 1.00 0.00 H new ATOM 173 N TYR A 12 0.851 -9.558 0.793 1.00 0.00 N ATOM 174 CA TYR A 12 -0.062 -10.643 0.266 1.00 0.00 C ATOM 175 C TYR A 12 -1.221 -11.107 1.189 1.00 0.00 C ATOM 176 O TYR A 12 -1.142 -11.065 2.396 1.00 0.00 O ATOM 177 CB TYR A 12 0.830 -11.863 -0.131 1.00 0.00 C ATOM 178 CG TYR A 12 2.045 -12.024 0.795 1.00 0.00 C ATOM 179 CD1 TYR A 12 1.903 -12.216 2.154 1.00 0.00 C ATOM 180 CD2 TYR A 12 3.317 -11.972 0.258 1.00 0.00 C ATOM 181 CE1 TYR A 12 3.018 -12.349 2.958 1.00 0.00 C ATOM 182 CE2 TYR A 12 4.428 -12.107 1.070 1.00 0.00 C ATOM 183 CZ TYR A 12 4.281 -12.296 2.421 1.00 0.00 C ATOM 184 OH TYR A 12 5.382 -12.426 3.238 1.00 0.00 O ATOM 0 H TYR A 12 1.005 -9.571 1.801 1.00 0.00 H new ATOM 0 HA TYR A 12 -0.587 -10.198 -0.579 1.00 0.00 H new ATOM 0 HB2 TYR A 12 0.231 -12.773 -0.102 1.00 0.00 H new ATOM 0 HB3 TYR A 12 1.173 -11.740 -1.158 1.00 0.00 H new ATOM 0 HD1 TYR A 12 0.916 -12.262 2.591 1.00 0.00 H new ATOM 0 HD2 TYR A 12 3.444 -11.825 -0.804 1.00 0.00 H new ATOM 0 HE1 TYR A 12 2.895 -12.496 4.021 1.00 0.00 H new ATOM 0 HE2 TYR A 12 5.417 -12.063 0.638 1.00 0.00 H new ATOM 0 HH TYR A 12 6.198 -12.367 2.699 1.00 0.00 H new ATOM 194 N TYR A 13 -2.283 -11.538 0.553 1.00 0.00 N ATOM 195 CA TYR A 13 -3.513 -12.032 1.281 1.00 0.00 C ATOM 196 C TYR A 13 -4.340 -13.071 0.445 1.00 0.00 C ATOM 197 O TYR A 13 -4.690 -14.136 0.916 1.00 0.00 O ATOM 198 CB TYR A 13 -4.399 -10.796 1.656 1.00 0.00 C ATOM 199 CG TYR A 13 -4.867 -10.052 0.411 1.00 0.00 C ATOM 200 CD1 TYR A 13 -3.926 -9.534 -0.437 1.00 0.00 C ATOM 201 CD2 TYR A 13 -6.206 -9.899 0.103 1.00 0.00 C ATOM 202 CE1 TYR A 13 -4.287 -8.886 -1.561 1.00 0.00 C ATOM 203 CE2 TYR A 13 -6.569 -9.227 -1.051 1.00 0.00 C ATOM 204 CZ TYR A 13 -5.599 -8.726 -1.878 1.00 0.00 C ATOM 205 OH TYR A 13 -5.936 -8.060 -3.025 1.00 0.00 O ATOM 0 H TYR A 13 -2.358 -11.572 -0.464 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.189 -12.558 2.179 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -5.264 -11.127 2.231 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.831 -10.119 2.295 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.878 -9.647 -0.201 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -6.964 -10.301 0.759 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.526 -8.489 -2.217 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -7.612 -9.098 -1.298 1.00 0.00 H new ATOM 0 HH TYR A 13 -5.128 -7.689 -3.437 1.00 0.00 H new ATOM 215 N ARG A 14 -4.652 -12.719 -0.784 1.00 0.00 N ATOM 216 CA ARG A 14 -5.429 -13.614 -1.711 1.00 0.00 C ATOM 217 C ARG A 14 -4.632 -13.969 -3.000 1.00 0.00 C ATOM 218 O ARG A 14 -4.521 -15.152 -3.268 1.00 0.00 O ATOM 219 CB ARG A 14 -6.797 -12.919 -2.088 1.00 0.00 C ATOM 220 CG ARG A 14 -7.988 -13.670 -1.414 1.00 0.00 C ATOM 221 CD ARG A 14 -7.929 -13.533 0.116 1.00 0.00 C ATOM 222 NE ARG A 14 -8.921 -14.506 0.707 1.00 0.00 N ATOM 223 CZ ARG A 14 -9.768 -14.158 1.598 1.00 0.00 C ATOM 224 NH1 ARG A 14 -9.309 -13.926 2.757 1.00 0.00 N ATOM 225 NH2 ARG A 14 -10.995 -14.070 1.294 1.00 0.00 N ATOM 0 H ARG A 14 -4.393 -11.822 -1.195 1.00 0.00 H new ATOM 0 HA ARG A 14 -5.618 -14.551 -1.187 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -6.785 -11.878 -1.766 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -6.925 -12.916 -3.170 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -8.932 -13.268 -1.783 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -7.961 -14.724 -1.690 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -6.924 -13.745 0.480 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -8.169 -12.513 0.417 1.00 0.00 H new ATOM 0 HE ARG A 14 -8.915 -15.474 0.384 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -8.310 -14.021 2.938 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -9.939 -13.644 3.508 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -11.301 -14.276 0.343 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -11.677 -13.793 2.000 1.00 0.00 H new ATOM 239 N PRO A 15 -4.113 -13.032 -3.780 1.00 0.00 N ATOM 240 CA PRO A 15 -4.614 -11.644 -4.008 1.00 0.00 C ATOM 241 C PRO A 15 -5.541 -11.633 -5.231 1.00 0.00 C ATOM 242 O PRO A 15 -6.740 -11.477 -5.117 1.00 0.00 O ATOM 243 CB PRO A 15 -3.362 -10.827 -4.217 1.00 0.00 C ATOM 244 CG PRO A 15 -2.362 -11.840 -4.898 1.00 0.00 C ATOM 245 CD PRO A 15 -2.864 -13.285 -4.546 1.00 0.00 C ATOM 0 HA PRO A 15 -5.204 -11.243 -3.184 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.550 -9.962 -4.853 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -2.968 -10.449 -3.273 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.338 -11.692 -5.978 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.347 -11.685 -4.533 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -3.054 -13.875 -5.443 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.132 -13.833 -3.953 1.00 0.00 H new ATOM 253 N ALA A 16 -4.999 -11.807 -6.408 1.00 0.00 N ATOM 254 CA ALA A 16 -5.910 -11.803 -7.592 1.00 0.00 C ATOM 255 C ALA A 16 -6.668 -13.157 -7.634 1.00 0.00 C ATOM 256 O ALA A 16 -7.556 -13.357 -8.437 1.00 0.00 O ATOM 257 CB ALA A 16 -5.046 -11.571 -8.849 1.00 0.00 C ATOM 0 H ALA A 16 -4.007 -11.946 -6.599 1.00 0.00 H new ATOM 0 HA ALA A 16 -6.656 -11.010 -7.538 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.684 -11.563 -9.733 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.531 -10.614 -8.765 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.312 -12.372 -8.939 1.00 0.00 H new ATOM 263 N GLN A 17 -6.306 -14.066 -6.759 1.00 0.00 N ATOM 264 CA GLN A 17 -6.976 -15.402 -6.700 1.00 0.00 C ATOM 265 C GLN A 17 -8.490 -15.178 -6.487 1.00 0.00 C ATOM 266 O GLN A 17 -9.289 -15.722 -7.216 1.00 0.00 O ATOM 267 CB GLN A 17 -6.312 -16.169 -5.562 1.00 0.00 C ATOM 268 CG GLN A 17 -6.630 -17.664 -5.778 1.00 0.00 C ATOM 269 CD GLN A 17 -5.753 -18.573 -4.923 1.00 0.00 C ATOM 270 OE1 GLN A 17 -5.804 -19.771 -5.058 1.00 0.00 O ATOM 271 NE2 GLN A 17 -4.930 -18.125 -4.029 1.00 0.00 N ATOM 0 H GLN A 17 -5.563 -13.935 -6.073 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.872 -15.983 -7.617 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.235 -16.000 -5.560 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -6.689 -15.830 -4.597 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.678 -17.848 -5.542 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -6.491 -17.914 -6.830 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -4.845 -17.121 -3.872 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.367 -18.776 -3.482 1.00 0.00 H new ATOM 280 N ASN A 18 -8.873 -14.384 -5.511 1.00 0.00 N ATOM 281 CA ASN A 18 -10.352 -14.117 -5.281 1.00 0.00 C ATOM 282 C ASN A 18 -10.567 -12.848 -6.160 1.00 0.00 C ATOM 283 O ASN A 18 -11.240 -11.906 -5.786 1.00 0.00 O ATOM 284 CB ASN A 18 -10.605 -13.777 -3.774 1.00 0.00 C ATOM 285 CG ASN A 18 -12.082 -13.605 -3.374 1.00 0.00 C ATOM 286 OD1 ASN A 18 -12.385 -13.018 -2.354 1.00 0.00 O ATOM 287 ND2 ASN A 18 -13.030 -14.101 -4.106 1.00 0.00 N ATOM 0 H ASN A 18 -8.241 -13.910 -4.866 1.00 0.00 H new ATOM 0 HA ASN A 18 -11.009 -14.952 -5.523 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -10.171 -14.568 -3.163 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -10.071 -12.858 -3.532 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -14.003 -13.994 -3.821 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -12.802 -14.598 -4.967 1.00 0.00 H new ATOM 294 N ASN A 19 -9.958 -12.893 -7.330 1.00 0.00 N ATOM 295 CA ASN A 19 -10.012 -11.784 -8.332 1.00 0.00 C ATOM 296 C ASN A 19 -9.924 -10.478 -7.512 1.00 0.00 C ATOM 297 O ASN A 19 -10.652 -9.533 -7.722 1.00 0.00 O ATOM 298 CB ASN A 19 -11.324 -11.935 -9.078 1.00 0.00 C ATOM 299 CG ASN A 19 -11.275 -11.088 -10.322 1.00 0.00 C ATOM 300 OD1 ASN A 19 -11.598 -9.923 -10.327 1.00 0.00 O ATOM 301 ND2 ASN A 19 -10.867 -11.613 -11.429 1.00 0.00 N ATOM 0 H ASN A 19 -9.403 -13.692 -7.637 1.00 0.00 H new ATOM 0 HA ASN A 19 -9.209 -11.789 -9.069 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -11.492 -12.980 -9.339 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -12.156 -11.627 -8.444 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -10.824 -11.047 -12.276 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -10.588 -12.594 -11.456 1.00 0.00 H new ATOM 308 N TRP A 20 -9.023 -10.528 -6.554 1.00 0.00 N ATOM 309 CA TRP A 20 -8.686 -9.459 -5.581 1.00 0.00 C ATOM 310 C TRP A 20 -9.893 -8.534 -5.256 1.00 0.00 C ATOM 311 O TRP A 20 -9.750 -7.355 -4.989 1.00 0.00 O ATOM 312 CB TRP A 20 -7.390 -8.614 -6.100 1.00 0.00 C ATOM 313 CG TRP A 20 -7.296 -8.079 -7.547 1.00 0.00 C ATOM 314 CD1 TRP A 20 -8.318 -7.925 -8.413 1.00 0.00 C ATOM 315 CD2 TRP A 20 -6.155 -7.665 -8.170 1.00 0.00 C ATOM 316 NE1 TRP A 20 -7.754 -7.447 -9.502 1.00 0.00 N ATOM 317 CE2 TRP A 20 -6.460 -7.254 -9.443 1.00 0.00 C ATOM 318 CE3 TRP A 20 -4.848 -7.567 -7.764 1.00 0.00 C ATOM 319 CZ2 TRP A 20 -5.509 -6.757 -10.295 1.00 0.00 C ATOM 320 CZ3 TRP A 20 -3.886 -7.070 -8.617 1.00 0.00 C ATOM 321 CH2 TRP A 20 -4.209 -6.662 -9.884 1.00 0.00 C ATOM 0 H TRP A 20 -8.457 -11.364 -6.407 1.00 0.00 H new ATOM 0 HA TRP A 20 -8.428 -9.943 -4.639 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -7.288 -7.754 -5.438 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -6.516 -9.245 -5.939 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -9.363 -8.144 -8.250 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -8.293 -7.239 -10.343 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -4.571 -7.882 -6.769 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -5.786 -6.441 -11.290 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -2.862 -7.001 -8.281 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -3.450 -6.272 -10.546 1.00 0.00 H new ATOM 332 N ASP A 21 -11.081 -9.086 -5.274 1.00 0.00 N ATOM 333 CA ASP A 21 -12.285 -8.271 -4.985 1.00 0.00 C ATOM 334 C ASP A 21 -12.316 -7.636 -3.576 1.00 0.00 C ATOM 335 O ASP A 21 -12.786 -8.179 -2.591 1.00 0.00 O ATOM 336 CB ASP A 21 -13.542 -9.160 -5.212 1.00 0.00 C ATOM 337 CG ASP A 21 -14.813 -8.290 -5.248 1.00 0.00 C ATOM 338 OD1 ASP A 21 -14.940 -7.450 -4.364 1.00 0.00 O ATOM 339 OD2 ASP A 21 -15.563 -8.545 -6.179 1.00 0.00 O ATOM 0 H ASP A 21 -11.262 -10.069 -5.478 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.266 -7.421 -5.668 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -13.443 -9.710 -6.148 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -13.622 -9.899 -4.415 1.00 0.00 H new ATOM 344 N LEU A 22 -11.758 -6.458 -3.550 1.00 0.00 N ATOM 345 CA LEU A 22 -11.667 -5.615 -2.322 1.00 0.00 C ATOM 346 C LEU A 22 -12.940 -5.731 -1.471 1.00 0.00 C ATOM 347 O LEU A 22 -12.843 -5.668 -0.265 1.00 0.00 O ATOM 348 CB LEU A 22 -11.477 -4.148 -2.719 1.00 0.00 C ATOM 349 CG LEU A 22 -10.280 -3.947 -3.684 1.00 0.00 C ATOM 350 CD1 LEU A 22 -10.389 -2.499 -4.164 1.00 0.00 C ATOM 351 CD2 LEU A 22 -8.914 -4.139 -2.979 1.00 0.00 C ATOM 0 H LEU A 22 -11.340 -6.024 -4.373 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.818 -5.967 -1.737 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -12.388 -3.782 -3.193 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -11.321 -3.549 -1.822 1.00 0.00 H new ATOM 0 HG LEU A 22 -10.321 -4.679 -4.490 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.573 -2.282 -4.853 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -11.342 -2.355 -4.673 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.330 -1.827 -3.308 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.109 -3.988 -3.698 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.818 -3.416 -2.169 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.853 -5.149 -2.573 1.00 0.00 H new ATOM 363 N GLY A 23 -14.078 -5.893 -2.118 1.00 0.00 N ATOM 364 CA GLY A 23 -15.379 -6.012 -1.368 1.00 0.00 C ATOM 365 C GLY A 23 -15.257 -7.141 -0.349 1.00 0.00 C ATOM 366 O GLY A 23 -15.631 -7.008 0.803 1.00 0.00 O ATOM 0 H GLY A 23 -14.162 -5.948 -3.133 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -15.612 -5.073 -0.865 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.196 -6.215 -2.060 1.00 0.00 H new ATOM 370 N ALA A 24 -14.728 -8.221 -0.859 1.00 0.00 N ATOM 371 CA ALA A 24 -14.486 -9.479 -0.073 1.00 0.00 C ATOM 372 C ALA A 24 -14.242 -9.179 1.445 1.00 0.00 C ATOM 373 O ALA A 24 -13.242 -8.565 1.771 1.00 0.00 O ATOM 374 CB ALA A 24 -13.263 -10.196 -0.722 1.00 0.00 C ATOM 0 H ALA A 24 -14.439 -8.289 -1.835 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.366 -10.121 -0.107 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -13.052 -11.118 -0.180 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -13.489 -10.430 -1.762 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -12.392 -9.542 -0.678 1.00 0.00 H new ATOM 380 N PRO A 25 -15.134 -9.601 2.319 1.00 0.00 N ATOM 381 CA PRO A 25 -15.131 -9.197 3.759 1.00 0.00 C ATOM 382 C PRO A 25 -13.733 -8.940 4.378 1.00 0.00 C ATOM 383 O PRO A 25 -13.412 -7.867 4.833 1.00 0.00 O ATOM 384 CB PRO A 25 -15.906 -10.341 4.477 1.00 0.00 C ATOM 385 CG PRO A 25 -16.306 -11.347 3.351 1.00 0.00 C ATOM 386 CD PRO A 25 -16.262 -10.541 2.048 1.00 0.00 C ATOM 0 HA PRO A 25 -15.599 -8.220 3.878 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -15.284 -10.823 5.231 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -16.787 -9.956 4.990 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -15.616 -12.190 3.315 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -17.301 -11.757 3.526 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -16.070 -11.173 1.181 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -17.198 -10.015 1.859 1.00 0.00 H new ATOM 394 N ALA A 26 -12.928 -9.965 4.359 1.00 0.00 N ATOM 395 CA ALA A 26 -11.528 -9.931 4.918 1.00 0.00 C ATOM 396 C ALA A 26 -10.607 -8.786 4.431 1.00 0.00 C ATOM 397 O ALA A 26 -9.579 -8.508 5.021 1.00 0.00 O ATOM 398 CB ALA A 26 -10.921 -11.312 4.602 1.00 0.00 C ATOM 0 H ALA A 26 -13.187 -10.869 3.963 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.600 -9.717 5.984 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.900 -11.356 4.982 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -11.519 -12.090 5.077 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.914 -11.468 3.523 1.00 0.00 H new ATOM 404 N VAL A 27 -11.028 -8.173 3.360 1.00 0.00 N ATOM 405 CA VAL A 27 -10.282 -7.036 2.722 1.00 0.00 C ATOM 406 C VAL A 27 -11.030 -5.710 2.954 1.00 0.00 C ATOM 407 O VAL A 27 -10.599 -4.809 3.647 1.00 0.00 O ATOM 408 CB VAL A 27 -10.179 -7.285 1.188 1.00 0.00 C ATOM 409 CG1 VAL A 27 -9.131 -6.346 0.591 1.00 0.00 C ATOM 410 CG2 VAL A 27 -9.779 -8.751 0.864 1.00 0.00 C ATOM 0 H VAL A 27 -11.892 -8.420 2.878 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.288 -6.976 3.166 1.00 0.00 H new ATOM 0 HB VAL A 27 -11.161 -7.095 0.756 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -9.057 -6.519 -0.483 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -9.423 -5.312 0.773 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -8.164 -6.537 1.056 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -9.719 -8.881 -0.216 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -8.809 -8.971 1.311 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.528 -9.431 1.270 1.00 0.00 H new ATOM 420 N SER A 28 -12.184 -5.688 2.340 1.00 0.00 N ATOM 421 CA SER A 28 -13.134 -4.542 2.358 1.00 0.00 C ATOM 422 C SER A 28 -12.463 -3.141 2.376 1.00 0.00 C ATOM 423 O SER A 28 -12.430 -2.483 3.398 1.00 0.00 O ATOM 424 CB SER A 28 -14.070 -4.711 3.600 1.00 0.00 C ATOM 425 OG SER A 28 -13.217 -4.599 4.738 1.00 0.00 O ATOM 0 H SER A 28 -12.524 -6.477 1.790 1.00 0.00 H new ATOM 0 HA SER A 28 -13.691 -4.570 1.421 1.00 0.00 H new ATOM 0 HB2 SER A 28 -14.846 -3.945 3.614 1.00 0.00 H new ATOM 0 HB3 SER A 28 -14.576 -5.676 3.582 1.00 0.00 H new ATOM 0 HG SER A 28 -12.776 -3.724 4.732 1.00 0.00 H new ATOM 431 N ALA A 29 -11.956 -2.734 1.233 1.00 0.00 N ATOM 432 CA ALA A 29 -11.256 -1.387 1.081 1.00 0.00 C ATOM 433 C ALA A 29 -12.079 -0.116 0.695 1.00 0.00 C ATOM 434 O ALA A 29 -13.043 -0.201 -0.042 1.00 0.00 O ATOM 435 CB ALA A 29 -10.157 -1.589 0.048 1.00 0.00 C ATOM 0 H ALA A 29 -11.993 -3.282 0.374 1.00 0.00 H new ATOM 0 HA ALA A 29 -10.934 -1.139 2.092 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -9.621 -0.652 -0.101 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.463 -2.352 0.400 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -10.599 -1.908 -0.896 1.00 0.00 H new ATOM 441 N TYR A 30 -11.663 1.038 1.188 1.00 0.00 N ATOM 442 CA TYR A 30 -12.371 2.334 0.870 1.00 0.00 C ATOM 443 C TYR A 30 -13.318 2.476 -0.321 1.00 0.00 C ATOM 444 O TYR A 30 -14.516 2.569 -0.155 1.00 0.00 O ATOM 445 CB TYR A 30 -11.320 3.510 0.735 1.00 0.00 C ATOM 446 CG TYR A 30 -11.592 4.627 1.761 1.00 0.00 C ATOM 447 CD1 TYR A 30 -12.861 5.198 1.759 1.00 0.00 C ATOM 448 CD2 TYR A 30 -10.652 5.114 2.649 1.00 0.00 C ATOM 449 CE1 TYR A 30 -13.177 6.225 2.616 1.00 0.00 C ATOM 450 CE2 TYR A 30 -10.985 6.152 3.512 1.00 0.00 C ATOM 451 CZ TYR A 30 -12.248 6.706 3.492 1.00 0.00 C ATOM 452 OH TYR A 30 -12.624 7.743 4.315 1.00 0.00 O ATOM 0 H TYR A 30 -10.855 1.138 1.803 1.00 0.00 H new ATOM 0 HA TYR A 30 -13.043 2.363 1.727 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -10.313 3.119 0.879 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -11.360 3.922 -0.273 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -13.609 4.828 1.073 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -9.660 4.689 2.673 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -14.168 6.654 2.596 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -10.247 6.528 4.205 1.00 0.00 H new ATOM 0 HH TYR A 30 -11.872 7.992 4.892 1.00 0.00 H new ATOM 462 N CYS A 31 -12.758 2.469 -1.491 1.00 0.00 N ATOM 463 CA CYS A 31 -13.618 2.625 -2.700 1.00 0.00 C ATOM 464 C CYS A 31 -14.049 1.297 -3.316 1.00 0.00 C ATOM 465 O CYS A 31 -14.396 1.238 -4.473 1.00 0.00 O ATOM 466 CB CYS A 31 -12.799 3.486 -3.678 1.00 0.00 C ATOM 467 SG CYS A 31 -11.958 4.909 -2.944 1.00 0.00 S ATOM 0 H CYS A 31 -11.759 2.364 -1.668 1.00 0.00 H new ATOM 0 HA CYS A 31 -14.563 3.100 -2.438 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -12.053 2.852 -4.156 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.464 3.844 -4.464 1.00 0.00 H new ATOM 472 N ALA A 32 -14.040 0.236 -2.550 1.00 0.00 N ATOM 473 CA ALA A 32 -14.458 -1.094 -3.101 1.00 0.00 C ATOM 474 C ALA A 32 -15.904 -1.025 -3.626 1.00 0.00 C ATOM 475 O ALA A 32 -16.315 -1.855 -4.403 1.00 0.00 O ATOM 476 CB ALA A 32 -14.337 -2.142 -1.982 1.00 0.00 C ATOM 0 H ALA A 32 -13.762 0.230 -1.569 1.00 0.00 H new ATOM 0 HA ALA A 32 -13.814 -1.371 -3.936 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -14.637 -3.118 -2.364 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -13.304 -2.189 -1.638 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -14.984 -1.863 -1.151 1.00 0.00 H new ATOM 482 N THR A 33 -16.605 -0.029 -3.168 1.00 0.00 N ATOM 483 CA THR A 33 -18.036 0.243 -3.538 1.00 0.00 C ATOM 484 C THR A 33 -18.133 1.021 -4.860 1.00 0.00 C ATOM 485 O THR A 33 -19.184 1.095 -5.470 1.00 0.00 O ATOM 486 CB THR A 33 -18.675 1.088 -2.438 1.00 0.00 C ATOM 487 OG1 THR A 33 -18.386 0.387 -1.243 1.00 0.00 O ATOM 488 CG2 THR A 33 -20.191 1.061 -2.471 1.00 0.00 C ATOM 0 H THR A 33 -16.225 0.653 -2.511 1.00 0.00 H new ATOM 0 HA THR A 33 -18.548 -0.712 -3.654 1.00 0.00 H new ATOM 0 HB THR A 33 -18.313 2.111 -2.536 1.00 0.00 H new ATOM 0 HG1 THR A 33 -18.765 0.871 -0.480 1.00 0.00 H new ATOM 0 HG21 THR A 33 -20.584 1.680 -1.665 1.00 0.00 H new ATOM 0 HG22 THR A 33 -20.541 1.447 -3.428 1.00 0.00 H new ATOM 0 HG23 THR A 33 -20.540 0.036 -2.344 1.00 0.00 H new ATOM 496 N TRP A 34 -17.015 1.574 -5.254 1.00 0.00 N ATOM 497 CA TRP A 34 -16.907 2.387 -6.504 1.00 0.00 C ATOM 498 C TRP A 34 -15.843 1.955 -7.540 1.00 0.00 C ATOM 499 O TRP A 34 -16.147 1.957 -8.714 1.00 0.00 O ATOM 500 CB TRP A 34 -16.709 3.825 -5.977 1.00 0.00 C ATOM 501 CG TRP A 34 -17.954 4.189 -5.143 1.00 0.00 C ATOM 502 CD1 TRP A 34 -19.250 4.076 -5.558 1.00 0.00 C ATOM 503 CD2 TRP A 34 -17.943 4.656 -3.880 1.00 0.00 C ATOM 504 NE1 TRP A 34 -19.931 4.482 -4.503 1.00 0.00 N ATOM 505 CE2 TRP A 34 -19.231 4.852 -3.444 1.00 0.00 C ATOM 506 CE3 TRP A 34 -16.881 4.934 -3.050 1.00 0.00 C ATOM 507 CZ2 TRP A 34 -19.459 5.325 -2.172 1.00 0.00 C ATOM 508 CZ3 TRP A 34 -17.103 5.411 -1.770 1.00 0.00 C ATOM 509 CH2 TRP A 34 -18.399 5.606 -1.331 1.00 0.00 C ATOM 0 H TRP A 34 -16.138 1.492 -4.740 1.00 0.00 H new ATOM 0 HA TRP A 34 -17.801 2.257 -7.114 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -15.807 3.889 -5.368 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -16.585 4.523 -6.805 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -19.625 3.738 -6.513 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -20.951 4.509 -4.504 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -15.871 4.779 -3.399 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -20.472 5.477 -1.829 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -16.270 5.629 -1.119 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -18.583 5.977 -0.333 1.00 0.00 H new ATOM 520 N ASP A 35 -14.645 1.597 -7.150 1.00 0.00 N ATOM 521 CA ASP A 35 -13.578 1.164 -8.122 1.00 0.00 C ATOM 522 C ASP A 35 -13.800 -0.283 -8.537 1.00 0.00 C ATOM 523 O ASP A 35 -13.586 -0.652 -9.675 1.00 0.00 O ATOM 524 CB ASP A 35 -12.207 1.268 -7.466 1.00 0.00 C ATOM 525 CG ASP A 35 -11.483 2.544 -7.830 1.00 0.00 C ATOM 526 OD1 ASP A 35 -11.986 3.525 -7.319 1.00 0.00 O ATOM 527 OD2 ASP A 35 -10.499 2.450 -8.572 1.00 0.00 O ATOM 0 H ASP A 35 -14.349 1.585 -6.174 1.00 0.00 H new ATOM 0 HA ASP A 35 -13.628 1.813 -8.997 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -12.322 1.216 -6.383 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.600 0.413 -7.764 1.00 0.00 H new ATOM 532 N ALA A 36 -14.216 -1.076 -7.585 1.00 0.00 N ATOM 533 CA ALA A 36 -14.477 -2.518 -7.875 1.00 0.00 C ATOM 534 C ALA A 36 -15.289 -2.660 -9.171 1.00 0.00 C ATOM 535 O ALA A 36 -15.010 -3.525 -9.970 1.00 0.00 O ATOM 536 CB ALA A 36 -15.241 -3.100 -6.710 1.00 0.00 C ATOM 0 H ALA A 36 -14.386 -0.789 -6.621 1.00 0.00 H new ATOM 0 HA ALA A 36 -13.536 -3.051 -8.008 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -15.444 -4.154 -6.898 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -14.648 -3.001 -5.801 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -16.183 -2.565 -6.589 1.00 0.00 H new ATOM 542 N SER A 37 -16.259 -1.793 -9.321 1.00 0.00 N ATOM 543 CA SER A 37 -17.163 -1.782 -10.532 1.00 0.00 C ATOM 544 C SER A 37 -16.377 -1.710 -11.845 1.00 0.00 C ATOM 545 O SER A 37 -16.798 -2.233 -12.855 1.00 0.00 O ATOM 546 CB SER A 37 -18.122 -0.559 -10.493 1.00 0.00 C ATOM 547 OG SER A 37 -17.380 0.536 -11.037 1.00 0.00 O ATOM 0 H SER A 37 -16.474 -1.067 -8.637 1.00 0.00 H new ATOM 0 HA SER A 37 -17.722 -2.717 -10.497 1.00 0.00 H new ATOM 0 HB2 SER A 37 -19.022 -0.750 -11.077 1.00 0.00 H new ATOM 0 HB3 SER A 37 -18.443 -0.346 -9.473 1.00 0.00 H new ATOM 0 HG SER A 37 -16.955 1.037 -10.310 1.00 0.00 H new ATOM 553 N LYS A 38 -15.247 -1.060 -11.801 1.00 0.00 N ATOM 554 CA LYS A 38 -14.401 -0.919 -13.026 1.00 0.00 C ATOM 555 C LYS A 38 -13.942 -2.310 -13.536 1.00 0.00 C ATOM 556 O LYS A 38 -13.487 -3.130 -12.752 1.00 0.00 O ATOM 557 CB LYS A 38 -13.163 -0.052 -12.679 1.00 0.00 C ATOM 558 CG LYS A 38 -13.527 1.283 -11.973 1.00 0.00 C ATOM 559 CD LYS A 38 -14.393 2.166 -12.886 1.00 0.00 C ATOM 560 CE LYS A 38 -14.522 3.565 -12.286 1.00 0.00 C ATOM 561 NZ LYS A 38 -13.179 4.218 -12.414 1.00 0.00 N ATOM 0 H LYS A 38 -14.868 -0.616 -10.964 1.00 0.00 H new ATOM 0 HA LYS A 38 -14.984 -0.442 -13.814 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.495 -0.625 -12.036 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -12.613 0.167 -13.594 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -14.062 1.075 -11.047 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.616 1.816 -11.702 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.946 2.226 -13.878 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -15.380 1.720 -13.007 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -15.284 4.142 -12.811 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -14.827 3.511 -11.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.277 5.114 -12.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -12.793 4.406 -11.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -12.534 3.587 -12.932 1.00 0.00 H new ATOM 575 N PRO A 39 -14.045 -2.560 -14.828 1.00 0.00 N ATOM 576 CA PRO A 39 -13.760 -3.921 -15.369 1.00 0.00 C ATOM 577 C PRO A 39 -12.371 -4.412 -14.910 1.00 0.00 C ATOM 578 O PRO A 39 -11.466 -3.642 -14.619 1.00 0.00 O ATOM 579 CB PRO A 39 -13.906 -3.748 -16.903 1.00 0.00 C ATOM 580 CG PRO A 39 -13.642 -2.229 -17.096 1.00 0.00 C ATOM 581 CD PRO A 39 -14.403 -1.602 -15.911 1.00 0.00 C ATOM 0 HA PRO A 39 -14.436 -4.696 -15.007 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -13.187 -4.358 -17.450 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -14.898 -4.035 -17.251 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -12.578 -1.995 -17.064 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -14.018 -1.871 -18.054 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -14.071 -0.587 -15.694 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -15.478 -1.555 -16.086 1.00 0.00 H new ATOM 589 N LEU A 40 -12.202 -5.706 -14.862 1.00 0.00 N ATOM 590 CA LEU A 40 -10.890 -6.237 -14.421 1.00 0.00 C ATOM 591 C LEU A 40 -9.734 -5.693 -15.233 1.00 0.00 C ATOM 592 O LEU A 40 -8.796 -5.176 -14.667 1.00 0.00 O ATOM 593 CB LEU A 40 -10.984 -7.773 -14.487 1.00 0.00 C ATOM 594 CG LEU A 40 -11.265 -8.338 -13.073 1.00 0.00 C ATOM 595 CD1 LEU A 40 -10.093 -7.979 -12.124 1.00 0.00 C ATOM 596 CD2 LEU A 40 -12.601 -7.807 -12.503 1.00 0.00 C ATOM 0 H LEU A 40 -12.905 -6.404 -15.105 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.678 -5.912 -13.402 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.778 -8.070 -15.172 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.055 -8.188 -14.877 1.00 0.00 H new ATOM 0 HG LEU A 40 -11.350 -9.422 -13.151 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.294 -8.378 -11.130 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.169 -8.411 -12.508 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.991 -6.895 -12.066 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.765 -8.225 -11.510 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -12.562 -6.720 -12.437 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -13.419 -8.102 -13.160 1.00 0.00 H new ATOM 608 N SER A 41 -9.818 -5.817 -16.529 1.00 0.00 N ATOM 609 CA SER A 41 -8.703 -5.288 -17.384 1.00 0.00 C ATOM 610 C SER A 41 -8.184 -3.923 -16.916 1.00 0.00 C ATOM 611 O SER A 41 -7.004 -3.767 -16.723 1.00 0.00 O ATOM 612 CB SER A 41 -9.167 -5.155 -18.834 1.00 0.00 C ATOM 613 OG SER A 41 -8.023 -4.616 -19.491 1.00 0.00 O ATOM 0 H SER A 41 -10.592 -6.252 -17.031 1.00 0.00 H new ATOM 0 HA SER A 41 -7.888 -6.007 -17.299 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.457 -6.118 -19.254 1.00 0.00 H new ATOM 0 HB3 SER A 41 -10.030 -4.496 -18.922 1.00 0.00 H new ATOM 0 HG SER A 41 -8.220 -4.492 -20.443 1.00 0.00 H new ATOM 619 N TRP A 42 -9.029 -2.943 -16.746 1.00 0.00 N ATOM 620 CA TRP A 42 -8.495 -1.621 -16.288 1.00 0.00 C ATOM 621 C TRP A 42 -7.765 -1.786 -14.931 1.00 0.00 C ATOM 622 O TRP A 42 -6.617 -1.405 -14.770 1.00 0.00 O ATOM 623 CB TRP A 42 -9.680 -0.676 -16.183 1.00 0.00 C ATOM 624 CG TRP A 42 -9.182 0.739 -15.878 1.00 0.00 C ATOM 625 CD1 TRP A 42 -8.552 1.495 -16.802 1.00 0.00 C ATOM 626 CD2 TRP A 42 -9.284 1.435 -14.723 1.00 0.00 C ATOM 627 NE1 TRP A 42 -8.305 2.618 -16.156 1.00 0.00 N ATOM 628 CE2 TRP A 42 -8.708 2.680 -14.900 1.00 0.00 C ATOM 629 CE3 TRP A 42 -9.840 1.111 -13.499 1.00 0.00 C ATOM 630 CZ2 TRP A 42 -8.688 3.591 -13.870 1.00 0.00 C ATOM 631 CZ3 TRP A 42 -9.821 2.024 -12.461 1.00 0.00 C ATOM 632 CH2 TRP A 42 -9.247 3.264 -12.648 1.00 0.00 C ATOM 0 H TRP A 42 -10.036 -2.992 -16.898 1.00 0.00 H new ATOM 0 HA TRP A 42 -7.764 -1.218 -16.989 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -10.245 -0.681 -17.115 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -10.357 -1.011 -15.398 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -8.309 1.242 -17.823 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -7.827 3.400 -16.604 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -10.291 0.141 -13.353 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -8.236 4.561 -14.015 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -10.255 1.767 -11.506 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -9.234 3.980 -11.840 1.00 0.00 H new ATOM 643 N ARG A 43 -8.474 -2.372 -13.996 1.00 0.00 N ATOM 644 CA ARG A 43 -7.922 -2.613 -12.622 1.00 0.00 C ATOM 645 C ARG A 43 -6.548 -3.303 -12.636 1.00 0.00 C ATOM 646 O ARG A 43 -5.690 -2.956 -11.848 1.00 0.00 O ATOM 647 CB ARG A 43 -8.918 -3.483 -11.806 1.00 0.00 C ATOM 648 CG ARG A 43 -10.215 -2.682 -11.546 1.00 0.00 C ATOM 649 CD ARG A 43 -10.990 -3.271 -10.343 1.00 0.00 C ATOM 650 NE ARG A 43 -11.313 -4.713 -10.632 1.00 0.00 N ATOM 651 CZ ARG A 43 -11.894 -5.474 -9.771 1.00 0.00 C ATOM 652 NH1 ARG A 43 -13.139 -5.337 -9.572 1.00 0.00 N ATOM 653 NH2 ARG A 43 -11.233 -6.352 -9.125 1.00 0.00 N ATOM 0 H ARG A 43 -9.431 -2.700 -14.129 1.00 0.00 H new ATOM 0 HA ARG A 43 -7.789 -1.634 -12.161 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -9.147 -4.399 -12.351 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -8.466 -3.780 -10.860 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -9.971 -1.638 -11.351 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -10.845 -2.701 -12.435 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -10.393 -3.193 -9.435 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -11.906 -2.706 -10.171 1.00 0.00 H new ATOM 0 HE ARG A 43 -11.063 -5.101 -11.542 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -13.664 -4.633 -10.090 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -13.615 -5.931 -8.894 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -10.232 -6.458 -9.287 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -11.706 -6.948 -8.446 1.00 0.00 H new ATOM 667 N SER A 44 -6.399 -4.264 -13.514 1.00 0.00 N ATOM 668 CA SER A 44 -5.108 -5.029 -13.648 1.00 0.00 C ATOM 669 C SER A 44 -4.124 -4.259 -14.541 1.00 0.00 C ATOM 670 O SER A 44 -2.938 -4.283 -14.285 1.00 0.00 O ATOM 671 CB SER A 44 -5.394 -6.407 -14.275 1.00 0.00 C ATOM 672 OG SER A 44 -6.046 -6.074 -15.501 1.00 0.00 O ATOM 0 H SER A 44 -7.131 -4.561 -14.160 1.00 0.00 H new ATOM 0 HA SER A 44 -4.666 -5.155 -12.659 1.00 0.00 H new ATOM 0 HB2 SER A 44 -4.477 -6.971 -14.446 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.029 -7.018 -13.634 1.00 0.00 H new ATOM 0 HG SER A 44 -6.273 -6.896 -15.985 1.00 0.00 H new ATOM 678 N LYS A 45 -4.639 -3.630 -15.567 1.00 0.00 N ATOM 679 CA LYS A 45 -3.842 -2.814 -16.550 1.00 0.00 C ATOM 680 C LYS A 45 -2.990 -1.851 -15.728 1.00 0.00 C ATOM 681 O LYS A 45 -1.796 -1.776 -15.932 1.00 0.00 O ATOM 682 CB LYS A 45 -4.825 -2.041 -17.488 1.00 0.00 C ATOM 683 CG LYS A 45 -4.024 -1.017 -18.337 1.00 0.00 C ATOM 684 CD LYS A 45 -4.969 -0.303 -19.360 1.00 0.00 C ATOM 685 CE LYS A 45 -4.314 0.993 -19.943 1.00 0.00 C ATOM 686 NZ LYS A 45 -3.142 0.622 -20.818 1.00 0.00 N ATOM 0 H LYS A 45 -5.637 -3.648 -15.778 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.204 -3.435 -17.179 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.350 -2.740 -18.140 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.582 -1.527 -16.896 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.559 -0.278 -17.684 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.219 -1.525 -18.868 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.209 -0.988 -20.174 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.909 -0.048 -18.871 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.048 1.555 -20.521 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.983 1.641 -19.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.709 1.486 -21.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.438 0.104 -20.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.470 0.020 -21.600 1.00 0.00 H new ATOM 700 N TYR A 46 -3.658 -1.168 -14.836 1.00 0.00 N ATOM 701 CA TYR A 46 -2.994 -0.179 -13.930 1.00 0.00 C ATOM 702 C TYR A 46 -2.953 -0.763 -12.508 1.00 0.00 C ATOM 703 O TYR A 46 -3.051 -1.952 -12.306 1.00 0.00 O ATOM 704 CB TYR A 46 -3.820 1.152 -14.010 1.00 0.00 C ATOM 705 CG TYR A 46 -2.903 2.272 -14.515 1.00 0.00 C ATOM 706 CD1 TYR A 46 -2.474 2.293 -15.828 1.00 0.00 C ATOM 707 CD2 TYR A 46 -2.479 3.264 -13.648 1.00 0.00 C ATOM 708 CE1 TYR A 46 -1.625 3.299 -16.267 1.00 0.00 C ATOM 709 CE2 TYR A 46 -1.636 4.260 -14.096 1.00 0.00 C ATOM 710 CZ TYR A 46 -1.208 4.282 -15.401 1.00 0.00 C ATOM 711 OH TYR A 46 -0.359 5.286 -15.810 1.00 0.00 O ATOM 0 H TYR A 46 -4.664 -1.256 -14.693 1.00 0.00 H new ATOM 0 HA TYR A 46 -1.965 0.030 -14.223 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -4.670 1.029 -14.681 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.222 1.406 -13.029 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -2.800 1.525 -16.514 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -2.808 3.258 -12.619 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.290 3.310 -17.294 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -1.309 5.031 -13.413 1.00 0.00 H new ATOM 0 HH TYR A 46 -0.856 6.128 -15.878 1.00 0.00 H new ATOM 721 N GLY A 47 -2.793 0.083 -11.535 1.00 0.00 N ATOM 722 CA GLY A 47 -2.747 -0.369 -10.097 1.00 0.00 C ATOM 723 C GLY A 47 -4.064 0.003 -9.401 1.00 0.00 C ATOM 724 O GLY A 47 -5.000 0.390 -10.067 1.00 0.00 O ATOM 0 H GLY A 47 -2.689 1.089 -11.665 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.589 -1.446 -10.048 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.907 0.100 -9.584 1.00 0.00 H new ATOM 728 N TRP A 48 -4.071 -0.118 -8.100 1.00 0.00 N ATOM 729 CA TRP A 48 -5.276 0.187 -7.228 1.00 0.00 C ATOM 730 C TRP A 48 -4.851 -0.293 -5.856 1.00 0.00 C ATOM 731 O TRP A 48 -5.377 -1.199 -5.249 1.00 0.00 O ATOM 732 CB TRP A 48 -6.516 -0.583 -7.816 1.00 0.00 C ATOM 733 CG TRP A 48 -6.427 -2.063 -7.581 1.00 0.00 C ATOM 734 CD1 TRP A 48 -5.269 -2.769 -7.555 1.00 0.00 C ATOM 735 CD2 TRP A 48 -7.476 -2.856 -7.321 1.00 0.00 C ATOM 736 NE1 TRP A 48 -5.714 -3.981 -7.260 1.00 0.00 N ATOM 737 CE2 TRP A 48 -7.011 -4.103 -7.105 1.00 0.00 C ATOM 738 CE3 TRP A 48 -8.843 -2.634 -7.249 1.00 0.00 C ATOM 739 CZ2 TRP A 48 -7.836 -5.118 -6.807 1.00 0.00 C ATOM 740 CZ3 TRP A 48 -9.708 -3.699 -6.949 1.00 0.00 C ATOM 741 CH2 TRP A 48 -9.180 -4.946 -6.725 1.00 0.00 C ATOM 0 H TRP A 48 -3.257 -0.430 -7.570 1.00 0.00 H new ATOM 0 HA TRP A 48 -5.574 1.235 -7.184 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -7.429 -0.199 -7.362 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -6.587 -0.390 -8.886 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -4.257 -2.433 -7.728 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -5.083 -4.776 -7.159 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -9.241 -1.645 -7.423 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -7.420 -6.098 -6.628 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -10.775 -3.539 -6.895 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -9.825 -5.779 -6.487 1.00 0.00 H new ATOM 752 N THR A 49 -3.860 0.404 -5.406 1.00 0.00 N ATOM 753 CA THR A 49 -3.253 0.114 -4.098 1.00 0.00 C ATOM 754 C THR A 49 -3.805 0.967 -2.952 1.00 0.00 C ATOM 755 O THR A 49 -4.765 1.706 -3.086 1.00 0.00 O ATOM 756 CB THR A 49 -1.741 0.306 -4.277 1.00 0.00 C ATOM 757 OG1 THR A 49 -1.555 1.601 -4.823 1.00 0.00 O ATOM 758 CG2 THR A 49 -1.106 -0.585 -5.333 1.00 0.00 C ATOM 0 H THR A 49 -3.435 1.184 -5.907 1.00 0.00 H new ATOM 0 HA THR A 49 -3.499 -0.905 -3.799 1.00 0.00 H new ATOM 0 HB THR A 49 -1.299 0.101 -3.302 1.00 0.00 H new ATOM 0 HG1 THR A 49 -0.598 1.767 -4.953 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.037 -0.379 -5.388 1.00 0.00 H new ATOM 0 HG22 THR A 49 -1.260 -1.631 -5.067 1.00 0.00 H new ATOM 0 HG23 THR A 49 -1.565 -0.385 -6.301 1.00 0.00 H new ATOM 766 N ALA A 50 -3.172 0.849 -1.817 1.00 0.00 N ATOM 767 CA ALA A 50 -3.624 1.628 -0.613 1.00 0.00 C ATOM 768 C ALA A 50 -2.703 2.805 -0.216 1.00 0.00 C ATOM 769 O ALA A 50 -1.654 2.969 -0.807 1.00 0.00 O ATOM 770 CB ALA A 50 -3.717 0.612 0.520 1.00 0.00 C ATOM 0 H ALA A 50 -2.361 0.249 -1.664 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.575 2.110 -0.840 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.042 1.113 1.432 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.436 -0.163 0.255 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.739 0.159 0.684 1.00 0.00 H new ATOM 776 N PHE A 51 -3.095 3.601 0.752 1.00 0.00 N ATOM 777 CA PHE A 51 -2.215 4.744 1.177 1.00 0.00 C ATOM 778 C PHE A 51 -1.917 4.706 2.698 1.00 0.00 C ATOM 779 O PHE A 51 -2.674 4.191 3.503 1.00 0.00 O ATOM 780 CB PHE A 51 -2.883 6.116 0.841 1.00 0.00 C ATOM 781 CG PHE A 51 -4.079 6.384 1.765 1.00 0.00 C ATOM 782 CD1 PHE A 51 -5.328 5.891 1.469 1.00 0.00 C ATOM 783 CD2 PHE A 51 -3.899 7.115 2.925 1.00 0.00 C ATOM 784 CE1 PHE A 51 -6.386 6.122 2.322 1.00 0.00 C ATOM 785 CE2 PHE A 51 -4.953 7.348 3.780 1.00 0.00 C ATOM 786 CZ PHE A 51 -6.201 6.850 3.480 1.00 0.00 C ATOM 0 H PHE A 51 -3.974 3.513 1.262 1.00 0.00 H new ATOM 0 HA PHE A 51 -1.280 4.638 0.626 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -2.151 6.917 0.946 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -3.213 6.120 -0.198 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -5.481 5.321 0.565 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.921 7.507 3.163 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -7.364 5.732 2.083 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -4.801 7.920 4.683 1.00 0.00 H new ATOM 0 HZ PHE A 51 -7.031 7.028 4.147 1.00 0.00 H new ATOM 796 N CYS A 52 -0.783 5.266 2.993 1.00 0.00 N ATOM 797 CA CYS A 52 -0.283 5.363 4.401 1.00 0.00 C ATOM 798 C CYS A 52 0.004 6.867 4.454 1.00 0.00 C ATOM 799 O CYS A 52 -0.491 7.621 5.265 1.00 0.00 O ATOM 800 CB CYS A 52 1.009 4.529 4.568 1.00 0.00 C ATOM 801 SG CYS A 52 1.064 2.798 4.034 1.00 0.00 S ATOM 0 H CYS A 52 -0.157 5.675 2.299 1.00 0.00 H new ATOM 0 HA CYS A 52 -0.953 4.995 5.178 1.00 0.00 H new ATOM 0 HB2 CYS A 52 1.802 5.055 4.036 1.00 0.00 H new ATOM 0 HB3 CYS A 52 1.269 4.547 5.626 1.00 0.00 H new ATOM 806 N GLY A 53 0.832 7.240 3.514 1.00 0.00 N ATOM 807 CA GLY A 53 1.242 8.664 3.364 1.00 0.00 C ATOM 808 C GLY A 53 2.230 9.163 4.396 1.00 0.00 C ATOM 809 O GLY A 53 1.978 10.221 4.929 1.00 0.00 O ATOM 0 H GLY A 53 1.248 6.605 2.833 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.677 8.798 2.374 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.350 9.289 3.407 1.00 0.00 H new ATOM 813 N PRO A 54 3.321 8.471 4.675 1.00 0.00 N ATOM 814 CA PRO A 54 4.288 8.935 5.730 1.00 0.00 C ATOM 815 C PRO A 54 4.544 10.447 5.553 1.00 0.00 C ATOM 816 O PRO A 54 4.560 11.217 6.489 1.00 0.00 O ATOM 817 CB PRO A 54 5.515 8.007 5.522 1.00 0.00 C ATOM 818 CG PRO A 54 5.306 7.401 4.101 1.00 0.00 C ATOM 819 CD PRO A 54 3.778 7.221 4.008 1.00 0.00 C ATOM 0 HA PRO A 54 3.947 8.855 6.762 1.00 0.00 H new ATOM 0 HB2 PRO A 54 6.450 8.564 5.583 1.00 0.00 H new ATOM 0 HB3 PRO A 54 5.558 7.228 6.284 1.00 0.00 H new ATOM 0 HG2 PRO A 54 5.680 8.066 3.322 1.00 0.00 H new ATOM 0 HG3 PRO A 54 5.830 6.452 3.988 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.430 7.149 2.977 1.00 0.00 H new ATOM 0 HD3 PRO A 54 3.433 6.325 4.524 1.00 0.00 H new ATOM 827 N ALA A 55 4.741 10.797 4.313 1.00 0.00 N ATOM 828 CA ALA A 55 4.992 12.221 3.900 1.00 0.00 C ATOM 829 C ALA A 55 3.952 12.550 2.778 1.00 0.00 C ATOM 830 O ALA A 55 4.198 13.263 1.822 1.00 0.00 O ATOM 831 CB ALA A 55 6.454 12.304 3.399 1.00 0.00 C ATOM 0 H ALA A 55 4.740 10.136 3.536 1.00 0.00 H new ATOM 0 HA ALA A 55 4.873 12.942 4.709 1.00 0.00 H new ATOM 0 HB1 ALA A 55 6.675 13.325 3.089 1.00 0.00 H new ATOM 0 HB2 ALA A 55 7.131 12.014 4.203 1.00 0.00 H new ATOM 0 HB3 ALA A 55 6.587 11.631 2.552 1.00 0.00 H new ATOM 837 N GLY A 56 2.784 11.987 2.956 1.00 0.00 N ATOM 838 CA GLY A 56 1.667 12.187 1.966 1.00 0.00 C ATOM 839 C GLY A 56 0.240 11.950 2.472 1.00 0.00 C ATOM 840 O GLY A 56 -0.339 10.948 2.104 1.00 0.00 O ATOM 0 H GLY A 56 2.549 11.391 3.750 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.728 13.208 1.588 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.841 11.523 1.119 1.00 0.00 H new ATOM 844 N PRO A 57 -0.320 12.829 3.269 1.00 0.00 N ATOM 845 CA PRO A 57 -1.671 12.554 3.830 1.00 0.00 C ATOM 846 C PRO A 57 -2.723 12.712 2.708 1.00 0.00 C ATOM 847 O PRO A 57 -3.143 13.797 2.348 1.00 0.00 O ATOM 848 CB PRO A 57 -1.821 13.578 4.978 1.00 0.00 C ATOM 849 CG PRO A 57 -0.603 14.572 4.866 1.00 0.00 C ATOM 850 CD PRO A 57 0.283 14.114 3.680 1.00 0.00 C ATOM 0 HA PRO A 57 -1.810 11.543 4.213 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.766 14.115 4.896 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.822 13.076 5.946 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -0.956 15.591 4.706 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.028 14.576 5.792 1.00 0.00 H new ATOM 0 HD2 PRO A 57 0.271 14.840 2.867 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.323 13.990 3.981 1.00 0.00 H new ATOM 858 N ARG A 58 -3.136 11.593 2.172 1.00 0.00 N ATOM 859 CA ARG A 58 -4.150 11.595 1.085 1.00 0.00 C ATOM 860 C ARG A 58 -5.073 10.349 1.177 1.00 0.00 C ATOM 861 O ARG A 58 -4.710 9.280 0.723 1.00 0.00 O ATOM 862 CB ARG A 58 -3.353 11.644 -0.207 1.00 0.00 C ATOM 863 CG ARG A 58 -4.205 12.392 -1.297 1.00 0.00 C ATOM 864 CD ARG A 58 -3.836 13.906 -1.264 1.00 0.00 C ATOM 865 NE ARG A 58 -5.038 14.739 -1.671 1.00 0.00 N ATOM 866 CZ ARG A 58 -5.163 15.948 -1.241 1.00 0.00 C ATOM 867 NH1 ARG A 58 -4.344 16.823 -1.669 1.00 0.00 N ATOM 868 NH2 ARG A 58 -6.086 16.235 -0.415 1.00 0.00 N ATOM 0 H ARG A 58 -2.807 10.668 2.448 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.827 12.447 1.151 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.406 12.160 -0.048 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -3.113 10.635 -0.542 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -4.006 11.976 -2.284 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.269 12.258 -1.103 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.509 14.188 -0.263 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -3.002 14.101 -1.938 1.00 0.00 H new ATOM 0 HE ARG A 58 -5.748 14.341 -2.286 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -3.616 16.559 -2.333 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -4.416 17.789 -1.348 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -6.726 15.509 -0.093 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -6.186 17.191 -0.074 1.00 0.00 H new ATOM 882 N GLY A 59 -6.232 10.527 1.765 1.00 0.00 N ATOM 883 CA GLY A 59 -7.193 9.374 1.893 1.00 0.00 C ATOM 884 C GLY A 59 -8.516 9.704 1.212 1.00 0.00 C ATOM 885 O GLY A 59 -8.727 9.398 0.054 1.00 0.00 O ATOM 0 H GLY A 59 -6.556 11.410 2.160 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.759 8.480 1.445 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.365 9.151 2.946 1.00 0.00 H new ATOM 889 N GLN A 60 -9.387 10.333 1.961 1.00 0.00 N ATOM 890 CA GLN A 60 -10.736 10.729 1.423 1.00 0.00 C ATOM 891 C GLN A 60 -10.623 11.288 -0.028 1.00 0.00 C ATOM 892 O GLN A 60 -11.125 10.715 -0.974 1.00 0.00 O ATOM 893 CB GLN A 60 -11.339 11.771 2.442 1.00 0.00 C ATOM 894 CG GLN A 60 -11.564 11.052 3.834 1.00 0.00 C ATOM 895 CD GLN A 60 -12.177 11.933 4.945 1.00 0.00 C ATOM 896 OE1 GLN A 60 -12.557 11.455 5.992 1.00 0.00 O ATOM 897 NE2 GLN A 60 -12.311 13.212 4.826 1.00 0.00 N ATOM 0 H GLN A 60 -9.224 10.594 2.933 1.00 0.00 H new ATOM 0 HA GLN A 60 -11.402 9.870 1.340 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -10.663 12.618 2.560 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -12.282 12.166 2.064 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -12.213 10.190 3.678 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -10.606 10.669 4.185 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -12.011 13.679 3.970 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -12.717 13.755 5.588 1.00 0.00 H new ATOM 906 N ALA A 61 -9.934 12.388 -0.174 1.00 0.00 N ATOM 907 CA ALA A 61 -9.772 13.005 -1.528 1.00 0.00 C ATOM 908 C ALA A 61 -8.563 12.402 -2.292 1.00 0.00 C ATOM 909 O ALA A 61 -7.787 13.097 -2.929 1.00 0.00 O ATOM 910 CB ALA A 61 -9.613 14.524 -1.306 1.00 0.00 C ATOM 0 H ALA A 61 -9.474 12.889 0.586 1.00 0.00 H new ATOM 0 HA ALA A 61 -10.641 12.799 -2.153 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -9.491 15.022 -2.268 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -10.500 14.913 -0.806 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -8.736 14.711 -0.687 1.00 0.00 H new ATOM 916 N ALA A 62 -8.444 11.107 -2.178 1.00 0.00 N ATOM 917 CA ALA A 62 -7.341 10.359 -2.865 1.00 0.00 C ATOM 918 C ALA A 62 -7.993 9.337 -3.825 1.00 0.00 C ATOM 919 O ALA A 62 -7.381 8.942 -4.798 1.00 0.00 O ATOM 920 CB ALA A 62 -6.484 9.668 -1.801 1.00 0.00 C ATOM 0 H ALA A 62 -9.074 10.522 -1.629 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.695 11.022 -3.440 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.676 9.119 -2.285 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.063 10.417 -1.130 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.102 8.976 -1.229 1.00 0.00 H new ATOM 926 N CYS A 63 -9.206 8.958 -3.504 1.00 0.00 N ATOM 927 CA CYS A 63 -10.013 7.976 -4.316 1.00 0.00 C ATOM 928 C CYS A 63 -10.231 8.597 -5.733 1.00 0.00 C ATOM 929 O CYS A 63 -11.299 9.046 -6.101 1.00 0.00 O ATOM 930 CB CYS A 63 -11.326 7.771 -3.536 1.00 0.00 C ATOM 931 SG CYS A 63 -12.501 6.498 -4.063 1.00 0.00 S ATOM 0 H CYS A 63 -9.695 9.302 -2.677 1.00 0.00 H new ATOM 0 HA CYS A 63 -9.531 7.009 -4.461 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -11.059 7.557 -2.501 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -11.857 8.723 -3.538 1.00 0.00 H new ATOM 936 N GLY A 64 -9.176 8.588 -6.499 1.00 0.00 N ATOM 937 CA GLY A 64 -9.186 9.162 -7.891 1.00 0.00 C ATOM 938 C GLY A 64 -7.813 9.710 -8.320 1.00 0.00 C ATOM 939 O GLY A 64 -7.700 10.269 -9.396 1.00 0.00 O ATOM 0 H GLY A 64 -8.277 8.197 -6.217 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.500 8.391 -8.595 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.924 9.962 -7.944 1.00 0.00 H new ATOM 943 N LYS A 65 -6.820 9.535 -7.473 1.00 0.00 N ATOM 944 CA LYS A 65 -5.432 10.006 -7.771 1.00 0.00 C ATOM 945 C LYS A 65 -4.517 8.754 -7.823 1.00 0.00 C ATOM 946 O LYS A 65 -4.853 7.670 -7.368 1.00 0.00 O ATOM 947 CB LYS A 65 -4.915 10.972 -6.647 1.00 0.00 C ATOM 948 CG LYS A 65 -5.851 12.213 -6.546 1.00 0.00 C ATOM 949 CD LYS A 65 -5.220 13.364 -5.684 1.00 0.00 C ATOM 950 CE LYS A 65 -4.071 14.061 -6.458 1.00 0.00 C ATOM 951 NZ LYS A 65 -3.736 15.360 -5.770 1.00 0.00 N ATOM 0 H LYS A 65 -6.921 9.074 -6.568 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.422 10.549 -8.716 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.885 10.449 -5.691 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.896 11.290 -6.869 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.065 12.587 -7.547 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.803 11.913 -6.108 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.987 14.094 -5.426 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.840 12.957 -4.747 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -3.194 13.415 -6.492 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -4.370 14.247 -7.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.966 15.835 -6.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -4.575 15.974 -5.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -3.435 15.168 -4.793 1.00 0.00 H new ATOM 965 N CYS A 66 -3.356 8.939 -8.389 1.00 0.00 N ATOM 966 CA CYS A 66 -2.350 7.852 -8.518 1.00 0.00 C ATOM 967 C CYS A 66 -0.984 8.318 -7.968 1.00 0.00 C ATOM 968 O CYS A 66 -0.742 9.476 -7.695 1.00 0.00 O ATOM 969 CB CYS A 66 -2.305 7.469 -10.011 1.00 0.00 C ATOM 970 SG CYS A 66 -3.576 6.272 -10.511 1.00 0.00 S ATOM 0 H CYS A 66 -3.056 9.832 -8.780 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.615 6.974 -7.930 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -2.417 8.373 -10.610 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -1.323 7.055 -10.239 1.00 0.00 H new ATOM 975 N LEU A 67 -0.101 7.390 -7.809 1.00 0.00 N ATOM 976 CA LEU A 67 1.275 7.681 -7.283 1.00 0.00 C ATOM 977 C LEU A 67 2.284 7.158 -8.284 1.00 0.00 C ATOM 978 O LEU A 67 2.167 6.036 -8.740 1.00 0.00 O ATOM 979 CB LEU A 67 1.465 6.971 -5.923 1.00 0.00 C ATOM 980 CG LEU A 67 1.458 7.973 -4.751 1.00 0.00 C ATOM 981 CD1 LEU A 67 1.122 7.183 -3.496 1.00 0.00 C ATOM 982 CD2 LEU A 67 2.876 8.505 -4.526 1.00 0.00 C ATOM 0 H LEU A 67 -0.267 6.407 -8.024 1.00 0.00 H new ATOM 0 HA LEU A 67 1.412 8.753 -7.142 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.670 6.239 -5.781 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.407 6.422 -5.927 1.00 0.00 H new ATOM 0 HG LEU A 67 0.759 8.783 -4.960 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.106 7.854 -2.637 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.144 6.717 -3.611 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.876 6.411 -3.339 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.872 9.213 -3.698 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.543 7.675 -4.291 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.224 9.005 -5.429 1.00 0.00 H new ATOM 994 N ARG A 68 3.252 7.955 -8.604 1.00 0.00 N ATOM 995 CA ARG A 68 4.259 7.475 -9.581 1.00 0.00 C ATOM 996 C ARG A 68 5.349 6.891 -8.669 1.00 0.00 C ATOM 997 O ARG A 68 5.795 7.575 -7.761 1.00 0.00 O ATOM 998 CB ARG A 68 4.764 8.673 -10.406 1.00 0.00 C ATOM 999 CG ARG A 68 5.851 8.187 -11.399 1.00 0.00 C ATOM 1000 CD ARG A 68 6.157 9.295 -12.408 1.00 0.00 C ATOM 1001 NE ARG A 68 6.821 10.411 -11.649 1.00 0.00 N ATOM 1002 CZ ARG A 68 7.781 11.112 -12.130 1.00 0.00 C ATOM 1003 NH1 ARG A 68 7.844 11.291 -13.386 1.00 0.00 N ATOM 1004 NH2 ARG A 68 8.636 11.609 -11.325 1.00 0.00 N ATOM 0 H ARG A 68 3.392 8.899 -8.243 1.00 0.00 H new ATOM 0 HA ARG A 68 3.897 6.745 -10.305 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.937 9.130 -10.949 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.173 9.438 -9.746 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.757 7.914 -10.857 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.509 7.292 -11.919 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.809 8.926 -13.200 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.242 9.645 -12.886 1.00 0.00 H new ATOM 0 HE ARG A 68 6.492 10.620 -10.707 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.137 10.880 -13.996 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.601 11.846 -13.785 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.547 11.445 -10.322 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.408 12.170 -11.684 1.00 0.00 H new ATOM 1018 N VAL A 69 5.731 5.668 -8.928 1.00 0.00 N ATOM 1019 CA VAL A 69 6.783 4.972 -8.123 1.00 0.00 C ATOM 1020 C VAL A 69 7.957 4.736 -9.080 1.00 0.00 C ATOM 1021 O VAL A 69 7.799 4.179 -10.154 1.00 0.00 O ATOM 1022 CB VAL A 69 6.249 3.616 -7.607 1.00 0.00 C ATOM 1023 CG1 VAL A 69 7.351 2.925 -6.767 1.00 0.00 C ATOM 1024 CG2 VAL A 69 5.010 3.823 -6.722 1.00 0.00 C ATOM 0 H VAL A 69 5.347 5.105 -9.687 1.00 0.00 H new ATOM 0 HA VAL A 69 7.078 5.564 -7.257 1.00 0.00 H new ATOM 0 HB VAL A 69 5.975 2.999 -8.463 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.982 1.968 -6.399 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.232 2.760 -7.388 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.616 3.560 -5.922 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.650 2.857 -6.369 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.273 4.446 -5.867 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.227 4.313 -7.301 1.00 0.00 H new ATOM 1034 N THR A 70 9.094 5.188 -8.624 1.00 0.00 N ATOM 1035 CA THR A 70 10.381 5.074 -9.384 1.00 0.00 C ATOM 1036 C THR A 70 11.421 4.333 -8.567 1.00 0.00 C ATOM 1037 O THR A 70 11.477 4.477 -7.354 1.00 0.00 O ATOM 1038 CB THR A 70 10.907 6.469 -9.693 1.00 0.00 C ATOM 1039 OG1 THR A 70 10.093 6.906 -10.758 1.00 0.00 O ATOM 1040 CG2 THR A 70 12.298 6.479 -10.345 1.00 0.00 C ATOM 0 H THR A 70 9.190 5.650 -7.720 1.00 0.00 H new ATOM 0 HA THR A 70 10.192 4.524 -10.306 1.00 0.00 H new ATOM 0 HB THR A 70 10.924 7.039 -8.764 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.362 7.809 -11.026 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.604 7.508 -10.534 1.00 0.00 H new ATOM 0 HG22 THR A 70 13.016 6.004 -9.677 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.262 5.932 -11.287 1.00 0.00 H new ATOM 1048 N ASN A 71 12.209 3.574 -9.282 1.00 0.00 N ATOM 1049 CA ASN A 71 13.304 2.762 -8.675 1.00 0.00 C ATOM 1050 C ASN A 71 14.713 3.445 -8.836 1.00 0.00 C ATOM 1051 O ASN A 71 15.311 3.365 -9.896 1.00 0.00 O ATOM 1052 CB ASN A 71 13.203 1.407 -9.381 1.00 0.00 C ATOM 1053 CG ASN A 71 14.281 0.472 -8.877 1.00 0.00 C ATOM 1054 OD1 ASN A 71 15.462 0.748 -8.930 1.00 0.00 O ATOM 1055 ND2 ASN A 71 13.967 -0.667 -8.372 1.00 0.00 N ATOM 0 H ASN A 71 12.135 3.481 -10.295 1.00 0.00 H new ATOM 0 HA ASN A 71 13.198 2.658 -7.595 1.00 0.00 H new ATOM 0 HB2 ASN A 71 12.220 0.969 -9.204 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.303 1.542 -10.458 1.00 0.00 H new ATOM 0 HD21 ASN A 71 14.697 -1.295 -8.037 1.00 0.00 H new ATOM 0 HD22 ASN A 71 12.987 -0.943 -8.306 1.00 0.00 H new ATOM 1062 N PRO A 72 15.192 4.097 -7.782 1.00 0.00 N ATOM 1063 CA PRO A 72 16.438 4.938 -7.819 1.00 0.00 C ATOM 1064 C PRO A 72 17.689 4.243 -8.397 1.00 0.00 C ATOM 1065 O PRO A 72 18.533 4.856 -9.020 1.00 0.00 O ATOM 1066 CB PRO A 72 16.720 5.377 -6.370 1.00 0.00 C ATOM 1067 CG PRO A 72 15.587 4.783 -5.484 1.00 0.00 C ATOM 1068 CD PRO A 72 14.573 4.079 -6.417 1.00 0.00 C ATOM 0 HA PRO A 72 16.249 5.770 -8.497 1.00 0.00 H new ATOM 0 HB2 PRO A 72 17.695 5.017 -6.041 1.00 0.00 H new ATOM 0 HB3 PRO A 72 16.739 6.464 -6.294 1.00 0.00 H new ATOM 0 HG2 PRO A 72 15.997 4.075 -4.764 1.00 0.00 H new ATOM 0 HG3 PRO A 72 15.096 5.571 -4.913 1.00 0.00 H new ATOM 0 HD2 PRO A 72 14.383 3.058 -6.088 1.00 0.00 H new ATOM 0 HD3 PRO A 72 13.615 4.598 -6.416 1.00 0.00 H new ATOM 1076 N ALA A 73 17.748 2.966 -8.145 1.00 0.00 N ATOM 1077 CA ALA A 73 18.883 2.097 -8.600 1.00 0.00 C ATOM 1078 C ALA A 73 18.905 1.768 -10.106 1.00 0.00 C ATOM 1079 O ALA A 73 19.936 1.825 -10.748 1.00 0.00 O ATOM 1080 CB ALA A 73 18.798 0.813 -7.760 1.00 0.00 C ATOM 0 H ALA A 73 17.030 2.465 -7.622 1.00 0.00 H new ATOM 0 HA ALA A 73 19.814 2.645 -8.452 1.00 0.00 H new ATOM 0 HB1 ALA A 73 19.603 0.137 -8.047 1.00 0.00 H new ATOM 0 HB2 ALA A 73 18.893 1.063 -6.703 1.00 0.00 H new ATOM 0 HB3 ALA A 73 17.837 0.328 -7.933 1.00 0.00 H new ATOM 1086 N THR A 74 17.754 1.434 -10.611 1.00 0.00 N ATOM 1087 CA THR A 74 17.630 1.078 -12.074 1.00 0.00 C ATOM 1088 C THR A 74 17.217 2.273 -12.935 1.00 0.00 C ATOM 1089 O THR A 74 17.790 2.556 -13.969 1.00 0.00 O ATOM 1090 CB THR A 74 16.566 -0.026 -12.240 1.00 0.00 C ATOM 1091 OG1 THR A 74 15.384 0.575 -11.743 1.00 0.00 O ATOM 1092 CG2 THR A 74 16.745 -1.196 -11.269 1.00 0.00 C ATOM 0 H THR A 74 16.883 1.388 -10.082 1.00 0.00 H new ATOM 0 HA THR A 74 18.612 0.741 -12.407 1.00 0.00 H new ATOM 0 HB THR A 74 16.592 -0.381 -13.270 1.00 0.00 H new ATOM 0 HG1 THR A 74 14.641 -0.060 -11.810 1.00 0.00 H new ATOM 0 HG21 THR A 74 15.963 -1.935 -11.442 1.00 0.00 H new ATOM 0 HG22 THR A 74 17.720 -1.656 -11.429 1.00 0.00 H new ATOM 0 HG23 THR A 74 16.680 -0.831 -10.244 1.00 0.00 H new ATOM 1100 N GLY A 75 16.209 2.937 -12.453 1.00 0.00 N ATOM 1101 CA GLY A 75 15.639 4.132 -13.137 1.00 0.00 C ATOM 1102 C GLY A 75 14.288 3.731 -13.718 1.00 0.00 C ATOM 1103 O GLY A 75 13.686 4.501 -14.437 1.00 0.00 O ATOM 0 H GLY A 75 15.738 2.693 -11.582 1.00 0.00 H new ATOM 0 HA2 GLY A 75 15.524 4.957 -12.434 1.00 0.00 H new ATOM 0 HA3 GLY A 75 16.308 4.477 -13.926 1.00 0.00 H new ATOM 1107 N ALA A 76 13.836 2.542 -13.398 1.00 0.00 N ATOM 1108 CA ALA A 76 12.518 2.097 -13.937 1.00 0.00 C ATOM 1109 C ALA A 76 11.387 2.691 -13.072 1.00 0.00 C ATOM 1110 O ALA A 76 11.501 2.820 -11.865 1.00 0.00 O ATOM 1111 CB ALA A 76 12.473 0.565 -13.900 1.00 0.00 C ATOM 0 H ALA A 76 14.316 1.872 -12.797 1.00 0.00 H new ATOM 0 HA ALA A 76 12.387 2.440 -14.963 1.00 0.00 H new ATOM 0 HB1 ALA A 76 11.516 0.220 -14.291 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.281 0.162 -14.511 1.00 0.00 H new ATOM 0 HB3 ALA A 76 12.590 0.222 -12.872 1.00 0.00 H new ATOM 1117 N GLN A 77 10.326 3.040 -13.745 1.00 0.00 N ATOM 1118 CA GLN A 77 9.135 3.634 -13.069 1.00 0.00 C ATOM 1119 C GLN A 77 7.827 3.002 -13.530 1.00 0.00 C ATOM 1120 O GLN A 77 7.683 2.558 -14.650 1.00 0.00 O ATOM 1121 CB GLN A 77 9.142 5.173 -13.359 1.00 0.00 C ATOM 1122 CG GLN A 77 7.785 5.882 -12.938 1.00 0.00 C ATOM 1123 CD GLN A 77 6.602 5.628 -13.902 1.00 0.00 C ATOM 1124 OE1 GLN A 77 5.443 5.767 -13.588 1.00 0.00 O ATOM 1125 NE2 GLN A 77 6.820 5.250 -15.108 1.00 0.00 N ATOM 0 H GLN A 77 10.231 2.937 -14.755 1.00 0.00 H new ATOM 0 HA GLN A 77 9.199 3.440 -11.998 1.00 0.00 H new ATOM 0 HB2 GLN A 77 9.971 5.636 -12.823 1.00 0.00 H new ATOM 0 HB3 GLN A 77 9.319 5.338 -14.422 1.00 0.00 H new ATOM 0 HG2 GLN A 77 7.505 5.540 -11.942 1.00 0.00 H new ATOM 0 HG3 GLN A 77 7.957 6.956 -12.870 1.00 0.00 H new ATOM 0 HE21 GLN A 77 7.777 5.115 -15.435 1.00 0.00 H new ATOM 0 HE22 GLN A 77 6.037 5.085 -15.740 1.00 0.00 H new ATOM 1134 N ILE A 78 6.924 3.011 -12.597 1.00 0.00 N ATOM 1135 CA ILE A 78 5.552 2.471 -12.770 1.00 0.00 C ATOM 1136 C ILE A 78 4.577 3.439 -12.033 1.00 0.00 C ATOM 1137 O ILE A 78 4.985 4.071 -11.074 1.00 0.00 O ATOM 1138 CB ILE A 78 5.619 1.060 -12.175 1.00 0.00 C ATOM 1139 CG1 ILE A 78 4.551 0.162 -12.829 1.00 0.00 C ATOM 1140 CG2 ILE A 78 5.477 1.055 -10.640 1.00 0.00 C ATOM 1141 CD1 ILE A 78 5.102 -0.371 -14.184 1.00 0.00 C ATOM 0 H ILE A 78 7.094 3.394 -11.667 1.00 0.00 H new ATOM 0 HA ILE A 78 5.192 2.404 -13.797 1.00 0.00 H new ATOM 0 HB ILE A 78 6.609 0.660 -12.394 1.00 0.00 H new ATOM 0 HG12 ILE A 78 4.303 -0.670 -12.170 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.632 0.726 -12.991 1.00 0.00 H new ATOM 0 HG21 ILE A 78 5.532 0.030 -10.273 1.00 0.00 H new ATOM 0 HG22 ILE A 78 6.282 1.642 -10.198 1.00 0.00 H new ATOM 0 HG23 ILE A 78 4.517 1.489 -10.362 1.00 0.00 H new ATOM 0 HD11 ILE A 78 4.354 -1.008 -14.656 1.00 0.00 H new ATOM 0 HD12 ILE A 78 5.329 0.469 -14.840 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.010 -0.948 -14.006 1.00 0.00 H new ATOM 1153 N THR A 79 3.333 3.561 -12.455 1.00 0.00 N ATOM 1154 CA THR A 79 2.376 4.493 -11.743 1.00 0.00 C ATOM 1155 C THR A 79 1.265 3.621 -11.116 1.00 0.00 C ATOM 1156 O THR A 79 0.758 2.739 -11.775 1.00 0.00 O ATOM 1157 CB THR A 79 1.760 5.498 -12.760 1.00 0.00 C ATOM 1158 OG1 THR A 79 2.820 6.349 -13.196 1.00 0.00 O ATOM 1159 CG2 THR A 79 0.844 6.519 -12.062 1.00 0.00 C ATOM 0 H THR A 79 2.939 3.063 -13.253 1.00 0.00 H new ATOM 0 HA THR A 79 2.893 5.066 -10.973 1.00 0.00 H new ATOM 0 HB THR A 79 1.244 4.914 -13.522 1.00 0.00 H new ATOM 0 HG1 THR A 79 3.652 5.834 -13.251 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.432 7.204 -12.803 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.030 5.995 -11.561 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.420 7.082 -11.328 1.00 0.00 H new ATOM 1167 N ALA A 80 0.909 3.870 -9.884 1.00 0.00 N ATOM 1168 CA ALA A 80 -0.171 3.056 -9.186 1.00 0.00 C ATOM 1169 C ALA A 80 -1.449 3.878 -8.853 1.00 0.00 C ATOM 1170 O ALA A 80 -1.349 5.082 -8.795 1.00 0.00 O ATOM 1171 CB ALA A 80 0.468 2.498 -7.898 1.00 0.00 C ATOM 0 H ALA A 80 1.317 4.609 -9.311 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.512 2.264 -9.853 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -0.267 1.903 -7.356 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.322 1.872 -8.157 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.801 3.324 -7.270 1.00 0.00 H new ATOM 1177 N ARG A 81 -2.576 3.237 -8.628 1.00 0.00 N ATOM 1178 CA ARG A 81 -3.847 3.985 -8.297 1.00 0.00 C ATOM 1179 C ARG A 81 -4.161 3.946 -6.791 1.00 0.00 C ATOM 1180 O ARG A 81 -4.050 2.885 -6.231 1.00 0.00 O ATOM 1181 CB ARG A 81 -4.997 3.326 -9.097 1.00 0.00 C ATOM 1182 CG ARG A 81 -6.314 4.162 -8.817 1.00 0.00 C ATOM 1183 CD ARG A 81 -7.275 4.147 -10.026 1.00 0.00 C ATOM 1184 NE ARG A 81 -7.822 2.756 -10.126 1.00 0.00 N ATOM 1185 CZ ARG A 81 -7.176 1.837 -10.770 1.00 0.00 C ATOM 1186 NH1 ARG A 81 -6.270 2.056 -11.656 1.00 0.00 N ATOM 1187 NH2 ARG A 81 -7.471 0.639 -10.499 1.00 0.00 N ATOM 0 H ARG A 81 -2.675 2.222 -8.659 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.729 5.035 -8.567 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.767 3.318 -10.162 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -5.130 2.288 -8.792 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -6.823 3.755 -7.944 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -6.047 5.191 -8.579 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -8.079 4.870 -9.890 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -6.750 4.423 -10.941 1.00 0.00 H new ATOM 0 HE ARG A 81 -8.712 2.531 -9.682 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -6.013 3.013 -11.897 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -5.808 1.272 -12.118 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -8.188 0.435 -9.802 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -6.993 -0.125 -10.977 1.00 0.00 H new ATOM 1201 N ILE A 82 -4.530 5.044 -6.169 1.00 0.00 N ATOM 1202 CA ILE A 82 -4.862 5.073 -4.680 1.00 0.00 C ATOM 1203 C ILE A 82 -6.382 4.801 -4.420 1.00 0.00 C ATOM 1204 O ILE A 82 -7.223 5.648 -4.675 1.00 0.00 O ATOM 1205 CB ILE A 82 -4.459 6.458 -4.113 1.00 0.00 C ATOM 1206 CG1 ILE A 82 -2.915 6.643 -4.270 1.00 0.00 C ATOM 1207 CG2 ILE A 82 -4.859 6.523 -2.606 1.00 0.00 C ATOM 1208 CD1 ILE A 82 -2.477 7.999 -3.693 1.00 0.00 C ATOM 0 H ILE A 82 -4.621 5.949 -6.631 1.00 0.00 H new ATOM 0 HA ILE A 82 -4.305 4.281 -4.179 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.970 7.254 -4.655 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.392 5.836 -3.757 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.640 6.583 -5.323 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.580 7.494 -2.197 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.936 6.385 -2.509 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.341 5.736 -2.058 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.399 8.113 -3.810 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.987 8.802 -4.225 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.734 8.044 -2.635 1.00 0.00 H new ATOM 1220 N VAL A 83 -6.671 3.622 -3.918 1.00 0.00 N ATOM 1221 CA VAL A 83 -8.089 3.199 -3.622 1.00 0.00 C ATOM 1222 C VAL A 83 -8.369 2.680 -2.170 1.00 0.00 C ATOM 1223 O VAL A 83 -9.450 2.868 -1.629 1.00 0.00 O ATOM 1224 CB VAL A 83 -8.414 2.120 -4.711 1.00 0.00 C ATOM 1225 CG1 VAL A 83 -7.636 0.814 -4.439 1.00 0.00 C ATOM 1226 CG2 VAL A 83 -9.904 1.816 -4.804 1.00 0.00 C ATOM 0 H VAL A 83 -5.970 2.916 -3.694 1.00 0.00 H new ATOM 0 HA VAL A 83 -8.742 4.071 -3.664 1.00 0.00 H new ATOM 0 HB VAL A 83 -8.099 2.541 -5.666 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.878 0.080 -5.208 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.565 1.018 -4.456 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.915 0.421 -3.461 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -10.074 1.063 -5.573 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -10.260 1.441 -3.844 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -10.446 2.726 -5.061 1.00 0.00 H new ATOM 1236 N ASP A 84 -7.374 2.043 -1.600 1.00 0.00 N ATOM 1237 CA ASP A 84 -7.442 1.454 -0.205 1.00 0.00 C ATOM 1238 C ASP A 84 -6.526 2.142 0.885 1.00 0.00 C ATOM 1239 O ASP A 84 -5.845 3.110 0.629 1.00 0.00 O ATOM 1240 CB ASP A 84 -7.095 -0.051 -0.466 1.00 0.00 C ATOM 1241 CG ASP A 84 -7.014 -0.936 0.773 1.00 0.00 C ATOM 1242 OD1 ASP A 84 -7.799 -0.681 1.673 1.00 0.00 O ATOM 1243 OD2 ASP A 84 -6.175 -1.822 0.729 1.00 0.00 O ATOM 0 H ASP A 84 -6.475 1.897 -2.059 1.00 0.00 H new ATOM 0 HA ASP A 84 -8.418 1.612 0.254 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -7.846 -0.466 -1.138 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -6.139 -0.099 -0.987 1.00 0.00 H new ATOM 1248 N GLN A 85 -6.507 1.657 2.096 1.00 0.00 N ATOM 1249 CA GLN A 85 -5.655 2.242 3.177 1.00 0.00 C ATOM 1250 C GLN A 85 -4.728 1.113 3.699 1.00 0.00 C ATOM 1251 O GLN A 85 -5.087 -0.049 3.680 1.00 0.00 O ATOM 1252 CB GLN A 85 -6.519 2.719 4.326 1.00 0.00 C ATOM 1253 CG GLN A 85 -5.547 3.443 5.327 1.00 0.00 C ATOM 1254 CD GLN A 85 -6.142 3.615 6.694 1.00 0.00 C ATOM 1255 OE1 GLN A 85 -7.086 4.337 6.912 1.00 0.00 O ATOM 1256 NE2 GLN A 85 -5.608 2.953 7.667 1.00 0.00 N ATOM 0 H GLN A 85 -7.063 0.855 2.392 1.00 0.00 H new ATOM 0 HA GLN A 85 -5.086 3.086 2.786 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -7.295 3.399 3.975 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.024 1.882 4.809 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -4.623 2.870 5.407 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -5.282 4.421 4.925 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -4.811 2.341 7.491 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -5.984 3.042 8.611 1.00 0.00 H new ATOM 1265 N CYS A 86 -3.561 1.468 4.167 1.00 0.00 N ATOM 1266 CA CYS A 86 -2.631 0.413 4.686 1.00 0.00 C ATOM 1267 C CYS A 86 -2.708 0.274 6.244 1.00 0.00 C ATOM 1268 O CYS A 86 -3.308 1.095 6.926 1.00 0.00 O ATOM 1269 CB CYS A 86 -1.205 0.801 4.223 1.00 0.00 C ATOM 1270 SG CYS A 86 -0.135 1.783 5.306 1.00 0.00 S ATOM 0 H CYS A 86 -3.212 2.425 4.214 1.00 0.00 H new ATOM 0 HA CYS A 86 -2.914 -0.563 4.292 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -0.675 -0.124 3.997 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -1.306 1.348 3.286 1.00 0.00 H new ATOM 1275 N ALA A 87 -2.097 -0.780 6.737 1.00 0.00 N ATOM 1276 CA ALA A 87 -2.075 -1.061 8.222 1.00 0.00 C ATOM 1277 C ALA A 87 -0.684 -1.493 8.762 1.00 0.00 C ATOM 1278 O ALA A 87 -0.041 -0.785 9.511 1.00 0.00 O ATOM 1279 CB ALA A 87 -3.140 -2.154 8.492 1.00 0.00 C ATOM 0 H ALA A 87 -1.604 -1.470 6.170 1.00 0.00 H new ATOM 0 HA ALA A 87 -2.299 -0.137 8.756 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -3.159 -2.389 9.556 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.120 -1.791 8.183 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.891 -3.052 7.927 1.00 0.00 H new ATOM 1285 N ASN A 88 -0.274 -2.672 8.368 1.00 0.00 N ATOM 1286 CA ASN A 88 1.048 -3.262 8.778 1.00 0.00 C ATOM 1287 C ASN A 88 1.958 -3.502 7.548 1.00 0.00 C ATOM 1288 O ASN A 88 3.165 -3.439 7.645 1.00 0.00 O ATOM 1289 CB ASN A 88 0.768 -4.595 9.500 1.00 0.00 C ATOM 1290 CG ASN A 88 0.152 -5.561 8.494 1.00 0.00 C ATOM 1291 OD1 ASN A 88 -0.830 -5.267 7.851 1.00 0.00 O ATOM 1292 ND2 ASN A 88 0.663 -6.725 8.287 1.00 0.00 N ATOM 0 H ASN A 88 -0.820 -3.277 7.755 1.00 0.00 H new ATOM 0 HA ASN A 88 1.570 -2.569 9.438 1.00 0.00 H new ATOM 0 HB2 ASN A 88 1.691 -5.008 9.908 1.00 0.00 H new ATOM 0 HB3 ASN A 88 0.091 -4.438 10.340 1.00 0.00 H new ATOM 0 HD21 ASN A 88 0.239 -7.354 7.605 1.00 0.00 H new ATOM 0 HD22 ASN A 88 1.491 -7.018 8.805 1.00 0.00 H new ATOM 1299 N GLY A 89 1.326 -3.785 6.436 1.00 0.00 N ATOM 1300 CA GLY A 89 2.051 -4.048 5.150 1.00 0.00 C ATOM 1301 C GLY A 89 2.765 -2.821 4.582 1.00 0.00 C ATOM 1302 O GLY A 89 3.112 -1.904 5.299 1.00 0.00 O ATOM 0 H GLY A 89 0.311 -3.847 6.363 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.782 -4.840 5.311 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.339 -4.417 4.411 1.00 0.00 H new ATOM 1306 N GLY A 90 2.953 -2.861 3.283 1.00 0.00 N ATOM 1307 CA GLY A 90 3.653 -1.723 2.568 1.00 0.00 C ATOM 1308 C GLY A 90 2.651 -0.758 1.944 1.00 0.00 C ATOM 1309 O GLY A 90 1.982 -0.059 2.679 1.00 0.00 O ATOM 0 H GLY A 90 2.655 -3.628 2.680 1.00 0.00 H new ATOM 0 HA2 GLY A 90 4.289 -1.185 3.272 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.305 -2.125 1.792 1.00 0.00 H new ATOM 1313 N LEU A 91 2.557 -0.706 0.641 1.00 0.00 N ATOM 1314 CA LEU A 91 1.561 0.243 0.018 1.00 0.00 C ATOM 1315 C LEU A 91 0.853 -0.355 -1.203 1.00 0.00 C ATOM 1316 O LEU A 91 0.257 0.352 -1.986 1.00 0.00 O ATOM 1317 CB LEU A 91 2.269 1.603 -0.396 1.00 0.00 C ATOM 1318 CG LEU A 91 3.557 1.429 -1.240 1.00 0.00 C ATOM 1319 CD1 LEU A 91 3.777 2.720 -2.066 1.00 0.00 C ATOM 1320 CD2 LEU A 91 4.739 1.367 -0.265 1.00 0.00 C ATOM 0 H LEU A 91 3.108 -1.261 -0.013 1.00 0.00 H new ATOM 0 HA LEU A 91 0.803 0.434 0.778 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.560 2.209 -0.960 1.00 0.00 H new ATOM 0 HB3 LEU A 91 2.515 2.159 0.509 1.00 0.00 H new ATOM 0 HG LEU A 91 3.477 0.544 -1.872 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.680 2.617 -2.668 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.921 2.883 -2.721 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.885 3.569 -1.392 1.00 0.00 H new ATOM 0 HD21 LEU A 91 5.666 1.244 -0.825 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.783 2.290 0.313 1.00 0.00 H new ATOM 0 HD23 LEU A 91 4.609 0.522 0.411 1.00 0.00 H new ATOM 1332 N ASP A 92 0.937 -1.644 -1.339 1.00 0.00 N ATOM 1333 CA ASP A 92 0.311 -2.421 -2.459 1.00 0.00 C ATOM 1334 C ASP A 92 -0.545 -3.597 -1.888 1.00 0.00 C ATOM 1335 O ASP A 92 -0.262 -4.127 -0.826 1.00 0.00 O ATOM 1336 CB ASP A 92 1.522 -2.877 -3.374 1.00 0.00 C ATOM 1337 CG ASP A 92 2.600 -3.564 -2.538 1.00 0.00 C ATOM 1338 OD1 ASP A 92 3.051 -2.924 -1.587 1.00 0.00 O ATOM 1339 OD2 ASP A 92 2.913 -4.681 -2.912 1.00 0.00 O ATOM 0 H ASP A 92 1.446 -2.233 -0.679 1.00 0.00 H new ATOM 0 HA ASP A 92 -0.394 -1.840 -3.054 1.00 0.00 H new ATOM 0 HB2 ASP A 92 1.165 -3.558 -4.147 1.00 0.00 H new ATOM 0 HB3 ASP A 92 1.946 -2.011 -3.883 1.00 0.00 H new ATOM 1344 N LEU A 93 -1.579 -3.945 -2.617 1.00 0.00 N ATOM 1345 CA LEU A 93 -2.526 -5.054 -2.227 1.00 0.00 C ATOM 1346 C LEU A 93 -2.696 -6.056 -3.396 1.00 0.00 C ATOM 1347 O LEU A 93 -3.582 -6.881 -3.462 1.00 0.00 O ATOM 1348 CB LEU A 93 -3.856 -4.329 -1.836 1.00 0.00 C ATOM 1349 CG LEU A 93 -4.414 -3.391 -2.976 1.00 0.00 C ATOM 1350 CD1 LEU A 93 -5.207 -4.121 -4.073 1.00 0.00 C ATOM 1351 CD2 LEU A 93 -5.272 -2.280 -2.382 1.00 0.00 C ATOM 0 H LEU A 93 -1.818 -3.492 -3.499 1.00 0.00 H new ATOM 0 HA LEU A 93 -2.163 -5.656 -1.394 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.610 -5.076 -1.588 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.688 -3.736 -0.937 1.00 0.00 H new ATOM 0 HG LEU A 93 -3.531 -2.977 -3.462 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -5.552 -3.400 -4.814 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -4.566 -4.858 -4.556 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.066 -4.623 -3.628 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -5.648 -1.643 -3.183 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.111 -2.718 -1.842 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.671 -1.683 -1.696 1.00 0.00 H new ATOM 1363 N ASP A 94 -1.812 -5.884 -4.305 1.00 0.00 N ATOM 1364 CA ASP A 94 -1.683 -6.646 -5.546 1.00 0.00 C ATOM 1365 C ASP A 94 -0.780 -7.878 -5.435 1.00 0.00 C ATOM 1366 O ASP A 94 -0.347 -8.338 -4.401 1.00 0.00 O ATOM 1367 CB ASP A 94 -1.168 -5.612 -6.566 1.00 0.00 C ATOM 1368 CG ASP A 94 -1.894 -4.256 -6.463 1.00 0.00 C ATOM 1369 OD1 ASP A 94 -1.833 -3.665 -5.397 1.00 0.00 O ATOM 1370 OD2 ASP A 94 -2.464 -3.886 -7.471 1.00 0.00 O ATOM 0 H ASP A 94 -1.096 -5.162 -4.221 1.00 0.00 H new ATOM 0 HA ASP A 94 -2.635 -7.088 -5.841 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -0.100 -5.459 -6.413 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -1.292 -6.010 -7.573 1.00 0.00 H new ATOM 1375 N TRP A 95 -0.536 -8.352 -6.616 1.00 0.00 N ATOM 1376 CA TRP A 95 0.330 -9.531 -6.846 1.00 0.00 C ATOM 1377 C TRP A 95 1.568 -8.691 -7.221 1.00 0.00 C ATOM 1378 O TRP A 95 1.951 -8.563 -8.367 1.00 0.00 O ATOM 1379 CB TRP A 95 -0.266 -10.386 -8.032 1.00 0.00 C ATOM 1380 CG TRP A 95 0.908 -10.964 -8.837 1.00 0.00 C ATOM 1381 CD1 TRP A 95 1.117 -10.719 -10.160 1.00 0.00 C ATOM 1382 CD2 TRP A 95 1.900 -11.745 -8.357 1.00 0.00 C ATOM 1383 NE1 TRP A 95 2.241 -11.367 -10.392 1.00 0.00 N ATOM 1384 CE2 TRP A 95 2.781 -12.015 -9.376 1.00 0.00 C ATOM 1385 CE3 TRP A 95 2.138 -12.262 -7.096 1.00 0.00 C ATOM 1386 CZ2 TRP A 95 3.893 -12.786 -9.150 1.00 0.00 C ATOM 1387 CZ3 TRP A 95 3.251 -13.043 -6.862 1.00 0.00 C ATOM 1388 CH2 TRP A 95 4.129 -13.300 -7.892 1.00 0.00 C ATOM 0 H TRP A 95 -0.920 -7.950 -7.471 1.00 0.00 H new ATOM 0 HA TRP A 95 0.479 -10.276 -6.064 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -0.894 -11.188 -7.645 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -0.897 -9.766 -8.669 1.00 0.00 H new ATOM 0 HD1 TRP A 95 0.515 -10.141 -10.845 1.00 0.00 H new ATOM 0 HE1 TRP A 95 2.674 -11.368 -11.315 1.00 0.00 H new ATOM 0 HE3 TRP A 95 1.449 -12.053 -6.291 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 4.582 -12.990 -9.956 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 3.433 -13.450 -5.878 1.00 0.00 H new ATOM 0 HH2 TRP A 95 5.005 -13.906 -7.714 1.00 0.00 H new ATOM 1399 N ASP A 96 2.151 -8.111 -6.195 1.00 0.00 N ATOM 1400 CA ASP A 96 3.363 -7.239 -6.322 1.00 0.00 C ATOM 1401 C ASP A 96 3.487 -6.434 -7.625 1.00 0.00 C ATOM 1402 O ASP A 96 4.576 -6.205 -8.114 1.00 0.00 O ATOM 1403 CB ASP A 96 4.588 -8.162 -6.135 1.00 0.00 C ATOM 1404 CG ASP A 96 4.839 -8.490 -4.685 1.00 0.00 C ATOM 1405 OD1 ASP A 96 3.954 -8.269 -3.876 1.00 0.00 O ATOM 1406 OD2 ASP A 96 5.953 -8.958 -4.503 1.00 0.00 O ATOM 0 H ASP A 96 1.820 -8.213 -5.236 1.00 0.00 H new ATOM 0 HA ASP A 96 3.286 -6.462 -5.561 1.00 0.00 H new ATOM 0 HB2 ASP A 96 4.433 -9.086 -6.693 1.00 0.00 H new ATOM 0 HB3 ASP A 96 5.471 -7.680 -6.555 1.00 0.00 H new ATOM 1411 N THR A 97 2.372 -6.008 -8.161 1.00 0.00 N ATOM 1412 CA THR A 97 2.349 -5.207 -9.447 1.00 0.00 C ATOM 1413 C THR A 97 3.482 -4.184 -9.541 1.00 0.00 C ATOM 1414 O THR A 97 3.970 -3.866 -10.602 1.00 0.00 O ATOM 1415 CB THR A 97 0.983 -4.485 -9.589 1.00 0.00 C ATOM 1416 OG1 THR A 97 0.739 -3.871 -8.339 1.00 0.00 O ATOM 1417 CG2 THR A 97 -0.145 -5.509 -9.767 1.00 0.00 C ATOM 0 H THR A 97 1.450 -6.180 -7.760 1.00 0.00 H new ATOM 0 HA THR A 97 2.495 -5.916 -10.262 1.00 0.00 H new ATOM 0 HB THR A 97 1.010 -3.798 -10.435 1.00 0.00 H new ATOM 0 HG1 THR A 97 -0.117 -3.395 -8.370 1.00 0.00 H new ATOM 0 HG21 THR A 97 -1.097 -4.988 -9.865 1.00 0.00 H new ATOM 0 HG22 THR A 97 0.039 -6.101 -10.664 1.00 0.00 H new ATOM 0 HG23 THR A 97 -0.179 -6.167 -8.899 1.00 0.00 H new ATOM 1425 N VAL A 98 3.870 -3.691 -8.409 1.00 0.00 N ATOM 1426 CA VAL A 98 4.970 -2.690 -8.323 1.00 0.00 C ATOM 1427 C VAL A 98 6.304 -3.501 -8.332 1.00 0.00 C ATOM 1428 O VAL A 98 7.166 -3.297 -9.169 1.00 0.00 O ATOM 1429 CB VAL A 98 4.748 -1.890 -7.000 1.00 0.00 C ATOM 1430 CG1 VAL A 98 5.742 -0.733 -6.880 1.00 0.00 C ATOM 1431 CG2 VAL A 98 3.318 -1.273 -6.967 1.00 0.00 C ATOM 0 H VAL A 98 3.462 -3.944 -7.509 1.00 0.00 H new ATOM 0 HA VAL A 98 4.997 -1.976 -9.146 1.00 0.00 H new ATOM 0 HB VAL A 98 4.887 -2.593 -6.179 1.00 0.00 H new ATOM 0 HG11 VAL A 98 5.563 -0.195 -5.949 1.00 0.00 H new ATOM 0 HG12 VAL A 98 6.759 -1.125 -6.882 1.00 0.00 H new ATOM 0 HG13 VAL A 98 5.613 -0.054 -7.723 1.00 0.00 H new ATOM 0 HG21 VAL A 98 3.182 -0.720 -6.038 1.00 0.00 H new ATOM 0 HG22 VAL A 98 3.194 -0.598 -7.813 1.00 0.00 H new ATOM 0 HG23 VAL A 98 2.577 -2.070 -7.027 1.00 0.00 H new ATOM 1441 N PHE A 99 6.426 -4.431 -7.420 1.00 0.00 N ATOM 1442 CA PHE A 99 7.677 -5.261 -7.335 1.00 0.00 C ATOM 1443 C PHE A 99 7.969 -6.177 -8.541 1.00 0.00 C ATOM 1444 O PHE A 99 9.027 -6.029 -9.103 1.00 0.00 O ATOM 1445 CB PHE A 99 7.608 -6.113 -6.048 1.00 0.00 C ATOM 1446 CG PHE A 99 8.851 -5.865 -5.169 1.00 0.00 C ATOM 1447 CD1 PHE A 99 9.110 -4.596 -4.684 1.00 0.00 C ATOM 1448 CD2 PHE A 99 9.729 -6.893 -4.846 1.00 0.00 C ATOM 1449 CE1 PHE A 99 10.219 -4.361 -3.898 1.00 0.00 C ATOM 1450 CE2 PHE A 99 10.837 -6.656 -4.061 1.00 0.00 C ATOM 1451 CZ PHE A 99 11.077 -5.390 -3.590 1.00 0.00 C ATOM 0 H PHE A 99 5.713 -4.656 -6.726 1.00 0.00 H new ATOM 0 HA PHE A 99 8.502 -4.549 -7.328 1.00 0.00 H new ATOM 0 HB2 PHE A 99 6.705 -5.866 -5.489 1.00 0.00 H new ATOM 0 HB3 PHE A 99 7.544 -7.170 -6.307 1.00 0.00 H new ATOM 0 HD1 PHE A 99 8.440 -3.784 -4.922 1.00 0.00 H new ATOM 0 HD2 PHE A 99 9.541 -7.890 -5.215 1.00 0.00 H new ATOM 0 HE1 PHE A 99 10.414 -3.367 -3.524 1.00 0.00 H new ATOM 0 HE2 PHE A 99 11.513 -7.463 -3.818 1.00 0.00 H new ATOM 0 HZ PHE A 99 11.944 -5.201 -2.974 1.00 0.00 H new ATOM 1461 N THR A 100 7.078 -7.057 -8.936 1.00 0.00 N ATOM 1462 CA THR A 100 7.369 -7.966 -10.129 1.00 0.00 C ATOM 1463 C THR A 100 7.623 -7.140 -11.416 1.00 0.00 C ATOM 1464 O THR A 100 7.919 -7.674 -12.474 1.00 0.00 O ATOM 1465 CB THR A 100 6.131 -8.985 -10.402 1.00 0.00 C ATOM 1466 OG1 THR A 100 5.600 -8.785 -11.713 1.00 0.00 O ATOM 1467 CG2 THR A 100 4.855 -8.608 -9.678 1.00 0.00 C ATOM 0 H THR A 100 6.167 -7.196 -8.499 1.00 0.00 H new ATOM 0 HA THR A 100 8.265 -8.536 -9.882 1.00 0.00 H new ATOM 0 HB THR A 100 6.562 -9.952 -10.143 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.857 -9.406 -11.863 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.077 -9.335 -9.910 1.00 0.00 H new ATOM 0 HG22 THR A 100 5.035 -8.600 -8.603 1.00 0.00 H new ATOM 0 HG23 THR A 100 4.534 -7.617 -9.999 1.00 0.00 H new ATOM 1475 N LYS A 101 7.482 -5.852 -11.304 1.00 0.00 N ATOM 1476 CA LYS A 101 7.696 -4.977 -12.480 1.00 0.00 C ATOM 1477 C LYS A 101 9.059 -4.282 -12.371 1.00 0.00 C ATOM 1478 O LYS A 101 9.869 -4.342 -13.277 1.00 0.00 O ATOM 1479 CB LYS A 101 6.554 -3.948 -12.521 1.00 0.00 C ATOM 1480 CG LYS A 101 5.199 -4.546 -12.947 1.00 0.00 C ATOM 1481 CD LYS A 101 5.228 -4.961 -14.427 1.00 0.00 C ATOM 1482 CE LYS A 101 3.797 -5.216 -14.865 1.00 0.00 C ATOM 1483 NZ LYS A 101 3.842 -5.527 -16.325 1.00 0.00 N ATOM 0 H LYS A 101 7.226 -5.367 -10.444 1.00 0.00 H new ATOM 0 HA LYS A 101 7.694 -5.561 -13.401 1.00 0.00 H new ATOM 0 HB2 LYS A 101 6.448 -3.496 -11.535 1.00 0.00 H new ATOM 0 HB3 LYS A 101 6.822 -3.148 -13.211 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.967 -5.411 -12.326 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.407 -3.815 -12.785 1.00 0.00 H new ATOM 0 HD2 LYS A 101 5.680 -4.177 -15.035 1.00 0.00 H new ATOM 0 HD3 LYS A 101 5.834 -5.857 -14.561 1.00 0.00 H new ATOM 0 HE2 LYS A 101 3.364 -6.045 -14.306 1.00 0.00 H new ATOM 0 HE3 LYS A 101 3.173 -4.343 -14.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 2.878 -5.710 -16.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 4.247 -4.719 -16.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 4.432 -6.369 -16.483 1.00 0.00 H new ATOM 1497 N ILE A 102 9.301 -3.632 -11.261 1.00 0.00 N ATOM 1498 CA ILE A 102 10.631 -2.938 -11.131 1.00 0.00 C ATOM 1499 C ILE A 102 11.774 -3.828 -10.512 1.00 0.00 C ATOM 1500 O ILE A 102 12.871 -3.330 -10.315 1.00 0.00 O ATOM 1501 CB ILE A 102 10.377 -1.605 -10.272 1.00 0.00 C ATOM 1502 CG1 ILE A 102 9.879 -1.960 -8.839 1.00 0.00 C ATOM 1503 CG2 ILE A 102 9.289 -0.670 -10.951 1.00 0.00 C ATOM 1504 CD1 ILE A 102 11.016 -1.828 -7.801 1.00 0.00 C ATOM 0 H ILE A 102 8.668 -3.549 -10.465 1.00 0.00 H new ATOM 0 HA ILE A 102 11.005 -2.706 -12.128 1.00 0.00 H new ATOM 0 HB ILE A 102 11.330 -1.078 -10.224 1.00 0.00 H new ATOM 0 HG12 ILE A 102 9.055 -1.302 -8.565 1.00 0.00 H new ATOM 0 HG13 ILE A 102 9.490 -2.978 -8.829 1.00 0.00 H new ATOM 0 HG21 ILE A 102 9.144 0.222 -10.341 1.00 0.00 H new ATOM 0 HG22 ILE A 102 9.629 -0.379 -11.945 1.00 0.00 H new ATOM 0 HG23 ILE A 102 8.346 -1.210 -11.034 1.00 0.00 H new ATOM 0 HD11 ILE A 102 10.637 -2.082 -6.811 1.00 0.00 H new ATOM 0 HD12 ILE A 102 11.829 -2.506 -8.063 1.00 0.00 H new ATOM 0 HD13 ILE A 102 11.386 -0.803 -7.795 1.00 0.00 H new ATOM 1516 N ASP A 103 11.531 -5.098 -10.242 1.00 0.00 N ATOM 1517 CA ASP A 103 12.585 -5.994 -9.653 1.00 0.00 C ATOM 1518 C ASP A 103 13.583 -6.591 -10.680 1.00 0.00 C ATOM 1519 O ASP A 103 13.939 -7.750 -10.625 1.00 0.00 O ATOM 1520 CB ASP A 103 11.828 -7.124 -8.900 1.00 0.00 C ATOM 1521 CG ASP A 103 11.137 -8.080 -9.889 1.00 0.00 C ATOM 1522 OD1 ASP A 103 10.488 -7.562 -10.780 1.00 0.00 O ATOM 1523 OD2 ASP A 103 11.280 -9.275 -9.705 1.00 0.00 O ATOM 0 H ASP A 103 10.634 -5.554 -10.408 1.00 0.00 H new ATOM 0 HA ASP A 103 13.215 -5.397 -8.994 1.00 0.00 H new ATOM 0 HB2 ASP A 103 12.527 -7.682 -8.277 1.00 0.00 H new ATOM 0 HB3 ASP A 103 11.085 -6.687 -8.232 1.00 0.00 H new ATOM 1528 N THR A 104 14.031 -5.767 -11.594 1.00 0.00 N ATOM 1529 CA THR A 104 15.018 -6.232 -12.657 1.00 0.00 C ATOM 1530 C THR A 104 16.062 -7.206 -12.109 1.00 0.00 C ATOM 1531 O THR A 104 16.333 -8.240 -12.683 1.00 0.00 O ATOM 1532 CB THR A 104 15.789 -5.042 -13.273 1.00 0.00 C ATOM 1533 OG1 THR A 104 16.422 -4.374 -12.188 1.00 0.00 O ATOM 1534 CG2 THR A 104 14.828 -4.009 -13.820 1.00 0.00 C ATOM 0 H THR A 104 13.763 -4.785 -11.662 1.00 0.00 H new ATOM 0 HA THR A 104 14.408 -6.733 -13.409 1.00 0.00 H new ATOM 0 HB THR A 104 16.458 -5.413 -14.049 1.00 0.00 H new ATOM 0 HG1 THR A 104 16.929 -3.607 -12.527 1.00 0.00 H new ATOM 0 HG21 THR A 104 15.391 -3.180 -14.249 1.00 0.00 H new ATOM 0 HG22 THR A 104 14.206 -4.463 -14.591 1.00 0.00 H new ATOM 0 HG23 THR A 104 14.194 -3.639 -13.014 1.00 0.00 H new ATOM 1542 N ASN A 105 16.615 -6.809 -10.999 1.00 0.00 N ATOM 1543 CA ASN A 105 17.657 -7.631 -10.302 1.00 0.00 C ATOM 1544 C ASN A 105 17.054 -8.449 -9.139 1.00 0.00 C ATOM 1545 O ASN A 105 17.275 -9.642 -9.065 1.00 0.00 O ATOM 1546 CB ASN A 105 18.783 -6.666 -9.788 1.00 0.00 C ATOM 1547 CG ASN A 105 18.236 -5.444 -9.054 1.00 0.00 C ATOM 1548 OD1 ASN A 105 17.446 -5.515 -8.140 1.00 0.00 O ATOM 1549 ND2 ASN A 105 18.620 -4.264 -9.398 1.00 0.00 N ATOM 0 H ASN A 105 16.388 -5.932 -10.531 1.00 0.00 H new ATOM 0 HA ASN A 105 18.076 -8.353 -11.003 1.00 0.00 H new ATOM 0 HB2 ASN A 105 19.448 -7.215 -9.121 1.00 0.00 H new ATOM 0 HB3 ASN A 105 19.384 -6.335 -10.635 1.00 0.00 H new ATOM 0 HD21 ASN A 105 18.259 -3.447 -8.906 1.00 0.00 H new ATOM 0 HD22 ASN A 105 19.285 -4.147 -10.162 1.00 0.00 H new ATOM 1556 N GLY A 106 16.330 -7.788 -8.278 1.00 0.00 N ATOM 1557 CA GLY A 106 15.685 -8.461 -7.108 1.00 0.00 C ATOM 1558 C GLY A 106 16.286 -8.116 -5.756 1.00 0.00 C ATOM 1559 O GLY A 106 16.025 -8.850 -4.829 1.00 0.00 O ATOM 0 H GLY A 106 16.153 -6.785 -8.336 1.00 0.00 H new ATOM 0 HA2 GLY A 106 14.627 -8.199 -7.096 1.00 0.00 H new ATOM 0 HA3 GLY A 106 15.745 -9.540 -7.251 1.00 0.00 H new ATOM 1563 N ILE A 107 17.055 -7.053 -5.640 1.00 0.00 N ATOM 1564 CA ILE A 107 17.685 -6.649 -4.316 1.00 0.00 C ATOM 1565 C ILE A 107 16.813 -7.022 -3.105 1.00 0.00 C ATOM 1566 O ILE A 107 17.106 -7.870 -2.282 1.00 0.00 O ATOM 1567 CB ILE A 107 17.940 -5.093 -4.353 1.00 0.00 C ATOM 1568 CG1 ILE A 107 19.096 -4.717 -5.308 1.00 0.00 C ATOM 1569 CG2 ILE A 107 18.194 -4.464 -2.949 1.00 0.00 C ATOM 1570 CD1 ILE A 107 20.425 -5.430 -4.949 1.00 0.00 C ATOM 0 H ILE A 107 17.282 -6.432 -6.417 1.00 0.00 H new ATOM 0 HA ILE A 107 18.620 -7.195 -4.194 1.00 0.00 H new ATOM 0 HB ILE A 107 17.010 -4.671 -4.733 1.00 0.00 H new ATOM 0 HG12 ILE A 107 18.816 -4.973 -6.330 1.00 0.00 H new ATOM 0 HG13 ILE A 107 19.248 -3.638 -5.280 1.00 0.00 H new ATOM 0 HG21 ILE A 107 18.361 -3.392 -3.055 1.00 0.00 H new ATOM 0 HG22 ILE A 107 17.326 -4.635 -2.312 1.00 0.00 H new ATOM 0 HG23 ILE A 107 19.072 -4.925 -2.497 1.00 0.00 H new ATOM 0 HD11 ILE A 107 21.201 -5.129 -5.652 1.00 0.00 H new ATOM 0 HD12 ILE A 107 20.724 -5.154 -3.938 1.00 0.00 H new ATOM 0 HD13 ILE A 107 20.285 -6.510 -5.004 1.00 0.00 H new ATOM 1582 N GLY A 108 15.711 -6.325 -3.066 1.00 0.00 N ATOM 1583 CA GLY A 108 14.703 -6.517 -1.972 1.00 0.00 C ATOM 1584 C GLY A 108 14.240 -7.964 -1.827 1.00 0.00 C ATOM 1585 O GLY A 108 14.174 -8.449 -0.721 1.00 0.00 O ATOM 0 H GLY A 108 15.458 -5.617 -3.756 1.00 0.00 H new ATOM 0 HA2 GLY A 108 15.134 -6.184 -1.028 1.00 0.00 H new ATOM 0 HA3 GLY A 108 13.838 -5.884 -2.169 1.00 0.00 H new ATOM 1589 N TYR A 109 13.947 -8.610 -2.929 1.00 0.00 N ATOM 1590 CA TYR A 109 13.467 -10.031 -2.955 1.00 0.00 C ATOM 1591 C TYR A 109 14.152 -10.965 -1.918 1.00 0.00 C ATOM 1592 O TYR A 109 13.518 -11.827 -1.344 1.00 0.00 O ATOM 1593 CB TYR A 109 13.674 -10.517 -4.401 1.00 0.00 C ATOM 1594 CG TYR A 109 12.790 -11.749 -4.624 1.00 0.00 C ATOM 1595 CD1 TYR A 109 11.438 -11.578 -4.861 1.00 0.00 C ATOM 1596 CD2 TYR A 109 13.306 -13.027 -4.578 1.00 0.00 C ATOM 1597 CE1 TYR A 109 10.615 -12.665 -5.046 1.00 0.00 C ATOM 1598 CE2 TYR A 109 12.477 -14.114 -4.765 1.00 0.00 C ATOM 1599 CZ TYR A 109 11.132 -13.935 -4.997 1.00 0.00 C ATOM 1600 OH TYR A 109 10.299 -15.015 -5.182 1.00 0.00 O ATOM 0 H TYR A 109 14.025 -8.190 -3.855 1.00 0.00 H new ATOM 0 HA TYR A 109 12.419 -10.067 -2.657 1.00 0.00 H new ATOM 0 HB2 TYR A 109 13.413 -9.729 -5.108 1.00 0.00 H new ATOM 0 HB3 TYR A 109 14.722 -10.765 -4.572 1.00 0.00 H new ATOM 0 HD1 TYR A 109 11.024 -10.581 -4.901 1.00 0.00 H new ATOM 0 HD2 TYR A 109 14.360 -13.177 -4.395 1.00 0.00 H new ATOM 0 HE1 TYR A 109 9.561 -12.518 -5.230 1.00 0.00 H new ATOM 0 HE2 TYR A 109 12.886 -15.113 -4.729 1.00 0.00 H new ATOM 0 HH TYR A 109 10.819 -15.844 -5.119 1.00 0.00 H new ATOM 1610 N GLN A 110 15.428 -10.768 -1.715 1.00 0.00 N ATOM 1611 CA GLN A 110 16.210 -11.599 -0.732 1.00 0.00 C ATOM 1612 C GLN A 110 16.200 -10.999 0.711 1.00 0.00 C ATOM 1613 O GLN A 110 16.239 -11.732 1.681 1.00 0.00 O ATOM 1614 CB GLN A 110 17.668 -11.709 -1.279 1.00 0.00 C ATOM 1615 CG GLN A 110 17.813 -12.892 -2.296 1.00 0.00 C ATOM 1616 CD GLN A 110 17.868 -14.246 -1.574 1.00 0.00 C ATOM 1617 OE1 GLN A 110 18.779 -14.551 -0.840 1.00 0.00 O ATOM 1618 NE2 GLN A 110 16.931 -15.122 -1.725 1.00 0.00 N ATOM 0 H GLN A 110 15.977 -10.055 -2.195 1.00 0.00 H new ATOM 0 HA GLN A 110 15.746 -12.581 -0.641 1.00 0.00 H new ATOM 0 HB2 GLN A 110 17.947 -10.774 -1.765 1.00 0.00 H new ATOM 0 HB3 GLN A 110 18.359 -11.855 -0.449 1.00 0.00 H new ATOM 0 HG2 GLN A 110 16.973 -12.882 -2.991 1.00 0.00 H new ATOM 0 HG3 GLN A 110 18.718 -12.756 -2.888 1.00 0.00 H new ATOM 0 HE21 GLN A 110 16.137 -14.920 -2.332 1.00 0.00 H new ATOM 0 HE22 GLN A 110 16.985 -16.016 -1.237 1.00 0.00 H new ATOM 1627 N GLN A 111 16.137 -9.691 0.794 1.00 0.00 N ATOM 1628 CA GLN A 111 16.129 -8.962 2.121 1.00 0.00 C ATOM 1629 C GLN A 111 14.735 -8.778 2.801 1.00 0.00 C ATOM 1630 O GLN A 111 14.598 -8.896 4.006 1.00 0.00 O ATOM 1631 CB GLN A 111 16.754 -7.530 1.924 1.00 0.00 C ATOM 1632 CG GLN A 111 18.287 -7.501 1.534 1.00 0.00 C ATOM 1633 CD GLN A 111 18.767 -6.048 1.256 1.00 0.00 C ATOM 1634 OE1 GLN A 111 19.870 -5.789 0.825 1.00 0.00 O ATOM 1635 NE2 GLN A 111 17.994 -5.033 1.483 1.00 0.00 N ATOM 0 H GLN A 111 16.089 -9.076 -0.018 1.00 0.00 H new ATOM 0 HA GLN A 111 16.706 -9.604 2.787 1.00 0.00 H new ATOM 0 HB2 GLN A 111 16.190 -7.011 1.149 1.00 0.00 H new ATOM 0 HB3 GLN A 111 16.622 -6.965 2.847 1.00 0.00 H new ATOM 0 HG2 GLN A 111 18.879 -7.935 2.340 1.00 0.00 H new ATOM 0 HG3 GLN A 111 18.452 -8.117 0.650 1.00 0.00 H new ATOM 0 HE21 GLN A 111 17.052 -5.180 1.846 1.00 0.00 H new ATOM 0 HE22 GLN A 111 18.327 -4.087 1.298 1.00 0.00 H new ATOM 1644 N GLY A 112 13.737 -8.489 2.006 1.00 0.00 N ATOM 1645 CA GLY A 112 12.335 -8.273 2.522 1.00 0.00 C ATOM 1646 C GLY A 112 11.704 -6.993 1.988 1.00 0.00 C ATOM 1647 O GLY A 112 10.526 -6.946 1.705 1.00 0.00 O ATOM 0 H GLY A 112 13.830 -8.390 0.995 1.00 0.00 H new ATOM 0 HA2 GLY A 112 11.714 -9.124 2.242 1.00 0.00 H new ATOM 0 HA3 GLY A 112 12.354 -8.237 3.611 1.00 0.00 H new ATOM 1651 N HIS A 113 12.519 -5.976 1.891 1.00 0.00 N ATOM 1652 CA HIS A 113 12.046 -4.656 1.380 1.00 0.00 C ATOM 1653 C HIS A 113 13.136 -3.953 0.558 1.00 0.00 C ATOM 1654 O HIS A 113 14.297 -4.308 0.600 1.00 0.00 O ATOM 1655 CB HIS A 113 11.620 -3.768 2.596 1.00 0.00 C ATOM 1656 CG HIS A 113 11.835 -4.436 3.965 1.00 0.00 C ATOM 1657 ND1 HIS A 113 11.269 -5.516 4.404 1.00 0.00 N ATOM 1658 CD2 HIS A 113 12.656 -4.044 4.997 1.00 0.00 C ATOM 1659 CE1 HIS A 113 11.696 -5.777 5.606 1.00 0.00 C ATOM 1660 NE2 HIS A 113 12.561 -4.882 6.007 1.00 0.00 N ATOM 0 H HIS A 113 13.506 -6.005 2.148 1.00 0.00 H new ATOM 0 HA HIS A 113 11.193 -4.815 0.720 1.00 0.00 H new ATOM 0 HB2 HIS A 113 12.183 -2.835 2.566 1.00 0.00 H new ATOM 0 HB3 HIS A 113 10.567 -3.508 2.492 1.00 0.00 H new ATOM 0 HD2 HIS A 113 13.290 -3.170 4.980 1.00 0.00 H new ATOM 0 HE1 HIS A 113 11.377 -6.624 6.196 1.00 0.00 H new ATOM 0 HE2 HIS A 113 13.051 -4.842 6.901 1.00 0.00 H new ATOM 1668 N LEU A 114 12.715 -2.969 -0.173 1.00 0.00 N ATOM 1669 CA LEU A 114 13.605 -2.144 -1.047 1.00 0.00 C ATOM 1670 C LEU A 114 13.443 -0.673 -0.617 1.00 0.00 C ATOM 1671 O LEU A 114 12.585 -0.398 0.192 1.00 0.00 O ATOM 1672 CB LEU A 114 13.134 -2.397 -2.490 1.00 0.00 C ATOM 1673 CG LEU A 114 13.899 -1.574 -3.552 1.00 0.00 C ATOM 1674 CD1 LEU A 114 15.394 -1.955 -3.520 1.00 0.00 C ATOM 1675 CD2 LEU A 114 13.327 -2.001 -4.907 1.00 0.00 C ATOM 0 H LEU A 114 11.737 -2.683 -0.206 1.00 0.00 H new ATOM 0 HA LEU A 114 14.663 -2.395 -0.969 1.00 0.00 H new ATOM 0 HB2 LEU A 114 13.245 -3.457 -2.717 1.00 0.00 H new ATOM 0 HB3 LEU A 114 12.071 -2.165 -2.561 1.00 0.00 H new ATOM 0 HG LEU A 114 13.797 -0.504 -3.373 1.00 0.00 H new ATOM 0 HD11 LEU A 114 15.933 -1.375 -4.269 1.00 0.00 H new ATOM 0 HD12 LEU A 114 15.803 -1.742 -2.532 1.00 0.00 H new ATOM 0 HD13 LEU A 114 15.503 -3.018 -3.736 1.00 0.00 H new ATOM 0 HD21 LEU A 114 13.829 -1.452 -5.703 1.00 0.00 H new ATOM 0 HD22 LEU A 114 13.485 -3.070 -5.048 1.00 0.00 H new ATOM 0 HD23 LEU A 114 12.259 -1.785 -4.935 1.00 0.00 H new ATOM 1687 N ASN A 115 14.240 0.202 -1.160 1.00 0.00 N ATOM 1688 CA ASN A 115 14.159 1.652 -0.817 1.00 0.00 C ATOM 1689 C ASN A 115 13.814 2.291 -2.183 1.00 0.00 C ATOM 1690 O ASN A 115 14.638 2.284 -3.074 1.00 0.00 O ATOM 1691 CB ASN A 115 15.544 2.025 -0.250 1.00 0.00 C ATOM 1692 CG ASN A 115 15.372 2.846 1.016 1.00 0.00 C ATOM 1693 OD1 ASN A 115 14.633 2.531 1.926 1.00 0.00 O ATOM 1694 ND2 ASN A 115 16.052 3.925 1.135 1.00 0.00 N ATOM 0 H ASN A 115 14.961 -0.030 -1.843 1.00 0.00 H new ATOM 0 HA ASN A 115 13.430 1.969 -0.072 1.00 0.00 H new ATOM 0 HB2 ASN A 115 16.115 1.122 -0.035 1.00 0.00 H new ATOM 0 HB3 ASN A 115 16.110 2.592 -0.989 1.00 0.00 H new ATOM 0 HD21 ASN A 115 15.964 4.493 1.978 1.00 0.00 H new ATOM 0 HD22 ASN A 115 16.682 4.216 0.387 1.00 0.00 H new ATOM 1701 N VAL A 116 12.624 2.815 -2.339 1.00 0.00 N ATOM 1702 CA VAL A 116 12.206 3.449 -3.655 1.00 0.00 C ATOM 1703 C VAL A 116 11.831 4.942 -3.516 1.00 0.00 C ATOM 1704 O VAL A 116 11.797 5.452 -2.413 1.00 0.00 O ATOM 1705 CB VAL A 116 10.961 2.645 -4.234 1.00 0.00 C ATOM 1706 CG1 VAL A 116 11.238 1.108 -4.323 1.00 0.00 C ATOM 1707 CG2 VAL A 116 9.718 2.843 -3.323 1.00 0.00 C ATOM 0 H VAL A 116 11.909 2.837 -1.612 1.00 0.00 H new ATOM 0 HA VAL A 116 13.061 3.400 -4.330 1.00 0.00 H new ATOM 0 HB VAL A 116 10.782 3.037 -5.235 1.00 0.00 H new ATOM 0 HG11 VAL A 116 10.359 0.603 -4.724 1.00 0.00 H new ATOM 0 HG12 VAL A 116 12.090 0.929 -4.979 1.00 0.00 H new ATOM 0 HG13 VAL A 116 11.458 0.720 -3.329 1.00 0.00 H new ATOM 0 HG21 VAL A 116 8.875 2.287 -3.732 1.00 0.00 H new ATOM 0 HG22 VAL A 116 9.940 2.479 -2.320 1.00 0.00 H new ATOM 0 HG23 VAL A 116 9.466 3.902 -3.277 1.00 0.00 H new ATOM 1717 N ASN A 117 11.565 5.596 -4.620 1.00 0.00 N ATOM 1718 CA ASN A 117 11.184 7.054 -4.570 1.00 0.00 C ATOM 1719 C ASN A 117 9.762 7.175 -5.151 1.00 0.00 C ATOM 1720 O ASN A 117 9.432 6.452 -6.078 1.00 0.00 O ATOM 1721 CB ASN A 117 12.100 7.938 -5.448 1.00 0.00 C ATOM 1722 CG ASN A 117 13.567 7.712 -5.154 1.00 0.00 C ATOM 1723 OD1 ASN A 117 14.002 7.752 -4.027 1.00 0.00 O ATOM 1724 ND2 ASN A 117 14.388 7.483 -6.120 1.00 0.00 N ATOM 0 H ASN A 117 11.593 5.190 -5.555 1.00 0.00 H new ATOM 0 HA ASN A 117 11.266 7.389 -3.536 1.00 0.00 H new ATOM 0 HB2 ASN A 117 11.906 7.727 -6.500 1.00 0.00 H new ATOM 0 HB3 ASN A 117 11.856 8.987 -5.283 1.00 0.00 H new ATOM 0 HD21 ASN A 117 15.379 7.341 -5.924 1.00 0.00 H new ATOM 0 HD22 ASN A 117 14.047 7.444 -7.081 1.00 0.00 H new ATOM 1731 N TYR A 118 8.967 8.071 -4.623 1.00 0.00 N ATOM 1732 CA TYR A 118 7.581 8.226 -5.166 1.00 0.00 C ATOM 1733 C TYR A 118 7.053 9.675 -5.060 1.00 0.00 C ATOM 1734 O TYR A 118 7.424 10.435 -4.181 1.00 0.00 O ATOM 1735 CB TYR A 118 6.648 7.214 -4.406 1.00 0.00 C ATOM 1736 CG TYR A 118 6.366 7.568 -2.931 1.00 0.00 C ATOM 1737 CD1 TYR A 118 5.538 8.622 -2.594 1.00 0.00 C ATOM 1738 CD2 TYR A 118 6.943 6.830 -1.917 1.00 0.00 C ATOM 1739 CE1 TYR A 118 5.301 8.925 -1.263 1.00 0.00 C ATOM 1740 CE2 TYR A 118 6.704 7.135 -0.589 1.00 0.00 C ATOM 1741 CZ TYR A 118 5.880 8.187 -0.255 1.00 0.00 C ATOM 1742 OH TYR A 118 5.621 8.529 1.059 1.00 0.00 O ATOM 0 H TYR A 118 9.211 8.693 -3.852 1.00 0.00 H new ATOM 0 HA TYR A 118 7.591 8.004 -6.233 1.00 0.00 H new ATOM 0 HB2 TYR A 118 5.698 7.150 -4.937 1.00 0.00 H new ATOM 0 HB3 TYR A 118 7.102 6.224 -4.446 1.00 0.00 H new ATOM 0 HD1 TYR A 118 5.074 9.212 -3.371 1.00 0.00 H new ATOM 0 HD2 TYR A 118 7.591 6.002 -2.164 1.00 0.00 H new ATOM 0 HE1 TYR A 118 4.653 9.752 -1.013 1.00 0.00 H new ATOM 0 HE2 TYR A 118 7.166 6.546 0.189 1.00 0.00 H new ATOM 0 HH TYR A 118 4.728 8.927 1.123 1.00 0.00 H new ATOM 1752 N GLN A 119 6.195 9.993 -6.002 1.00 0.00 N ATOM 1753 CA GLN A 119 5.545 11.354 -6.102 1.00 0.00 C ATOM 1754 C GLN A 119 4.032 11.242 -6.447 1.00 0.00 C ATOM 1755 O GLN A 119 3.672 10.332 -7.164 1.00 0.00 O ATOM 1756 CB GLN A 119 6.259 12.200 -7.210 1.00 0.00 C ATOM 1757 CG GLN A 119 7.445 11.423 -7.916 1.00 0.00 C ATOM 1758 CD GLN A 119 8.700 11.193 -7.064 1.00 0.00 C ATOM 1759 OE1 GLN A 119 9.515 10.371 -7.410 1.00 0.00 O ATOM 1760 NE2 GLN A 119 8.894 11.874 -5.994 1.00 0.00 N ATOM 0 H GLN A 119 5.905 9.345 -6.734 1.00 0.00 H new ATOM 0 HA GLN A 119 5.642 11.840 -5.131 1.00 0.00 H new ATOM 0 HB2 GLN A 119 5.527 12.495 -7.962 1.00 0.00 H new ATOM 0 HB3 GLN A 119 6.647 13.117 -6.766 1.00 0.00 H new ATOM 0 HG2 GLN A 119 7.072 10.454 -8.247 1.00 0.00 H new ATOM 0 HG3 GLN A 119 7.733 11.975 -8.810 1.00 0.00 H new ATOM 0 HE21 GLN A 119 8.207 12.569 -5.700 1.00 0.00 H new ATOM 0 HE22 GLN A 119 9.735 11.721 -5.437 1.00 0.00 H new ATOM 1769 N PHE A 120 3.179 12.131 -5.973 1.00 0.00 N ATOM 1770 CA PHE A 120 1.704 12.006 -6.330 1.00 0.00 C ATOM 1771 C PHE A 120 1.597 12.369 -7.835 1.00 0.00 C ATOM 1772 O PHE A 120 2.329 13.211 -8.314 1.00 0.00 O ATOM 1773 CB PHE A 120 0.879 12.988 -5.458 1.00 0.00 C ATOM 1774 CG PHE A 120 0.720 12.443 -4.022 1.00 0.00 C ATOM 1775 CD1 PHE A 120 1.784 12.436 -3.141 1.00 0.00 C ATOM 1776 CD2 PHE A 120 -0.503 11.955 -3.585 1.00 0.00 C ATOM 1777 CE1 PHE A 120 1.643 11.959 -1.851 1.00 0.00 C ATOM 1778 CE2 PHE A 120 -0.645 11.475 -2.290 1.00 0.00 C ATOM 1779 CZ PHE A 120 0.426 11.477 -1.422 1.00 0.00 C ATOM 0 H PHE A 120 3.422 12.918 -5.372 1.00 0.00 H new ATOM 0 HA PHE A 120 1.316 11.004 -6.147 1.00 0.00 H new ATOM 0 HB2 PHE A 120 1.372 13.960 -5.431 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -0.103 13.141 -5.905 1.00 0.00 H new ATOM 0 HD1 PHE A 120 2.744 12.810 -3.466 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -1.349 11.948 -4.256 1.00 0.00 H new ATOM 0 HE1 PHE A 120 2.488 11.964 -1.179 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -1.602 11.097 -1.960 1.00 0.00 H new ATOM 0 HZ PHE A 120 0.312 11.104 -0.415 1.00 0.00 H new ATOM 1789 N VAL A 121 0.702 11.709 -8.513 1.00 0.00 N ATOM 1790 CA VAL A 121 0.465 11.918 -9.977 1.00 0.00 C ATOM 1791 C VAL A 121 -0.986 11.533 -10.469 1.00 0.00 C ATOM 1792 O VAL A 121 -1.789 11.060 -9.679 1.00 0.00 O ATOM 1793 CB VAL A 121 1.635 11.078 -10.626 1.00 0.00 C ATOM 1794 CG1 VAL A 121 1.119 9.961 -11.531 1.00 0.00 C ATOM 1795 CG2 VAL A 121 2.564 11.991 -11.459 1.00 0.00 C ATOM 0 H VAL A 121 0.097 11.001 -8.097 1.00 0.00 H new ATOM 0 HA VAL A 121 0.488 12.968 -10.270 1.00 0.00 H new ATOM 0 HB VAL A 121 2.184 10.629 -9.798 1.00 0.00 H new ATOM 0 HG11 VAL A 121 1.963 9.414 -11.952 1.00 0.00 H new ATOM 0 HG12 VAL A 121 0.499 9.279 -10.950 1.00 0.00 H new ATOM 0 HG13 VAL A 121 0.527 10.391 -12.339 1.00 0.00 H new ATOM 0 HG21 VAL A 121 3.363 11.394 -11.898 1.00 0.00 H new ATOM 0 HG22 VAL A 121 1.989 12.467 -12.253 1.00 0.00 H new ATOM 0 HG23 VAL A 121 2.995 12.757 -10.814 1.00 0.00 H new ATOM 1805 N ASP A 122 -1.240 11.750 -11.743 1.00 0.00 N ATOM 1806 CA ASP A 122 -2.577 11.412 -12.333 1.00 0.00 C ATOM 1807 C ASP A 122 -2.460 9.954 -12.833 1.00 0.00 C ATOM 1808 O ASP A 122 -1.357 9.454 -12.963 1.00 0.00 O ATOM 1809 CB ASP A 122 -2.850 12.346 -13.517 1.00 0.00 C ATOM 1810 CG ASP A 122 -3.347 13.673 -13.019 1.00 0.00 C ATOM 1811 OD1 ASP A 122 -4.553 13.758 -12.879 1.00 0.00 O ATOM 1812 OD2 ASP A 122 -2.485 14.508 -12.809 1.00 0.00 O ATOM 0 H ASP A 122 -0.572 12.150 -12.402 1.00 0.00 H new ATOM 0 HA ASP A 122 -3.387 11.523 -11.612 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -1.939 12.485 -14.099 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -3.588 11.898 -14.182 1.00 0.00 H new ATOM 1817 N CYS A 123 -3.536 9.273 -13.119 1.00 0.00 N ATOM 1818 CA CYS A 123 -3.327 7.871 -13.590 1.00 0.00 C ATOM 1819 C CYS A 123 -3.158 7.790 -15.075 1.00 0.00 C ATOM 1820 O CYS A 123 -2.320 7.062 -15.548 1.00 0.00 O ATOM 1821 CB CYS A 123 -4.508 7.040 -13.168 1.00 0.00 C ATOM 1822 SG CYS A 123 -5.025 7.308 -11.459 1.00 0.00 S ATOM 0 H CYS A 123 -4.500 9.600 -13.054 1.00 0.00 H new ATOM 0 HA CYS A 123 -2.408 7.495 -13.141 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -5.347 7.259 -13.829 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -4.263 5.986 -13.301 1.00 0.00 H new ATOM 1827 N ARG A 124 -3.958 8.556 -15.748 1.00 0.00 N ATOM 1828 CA ARG A 124 -3.939 8.601 -17.250 1.00 0.00 C ATOM 1829 C ARG A 124 -3.742 7.175 -17.853 1.00 0.00 C ATOM 1830 O ARG A 124 -2.764 6.898 -18.521 1.00 0.00 O ATOM 1831 CB ARG A 124 -2.785 9.578 -17.635 1.00 0.00 C ATOM 1832 CG ARG A 124 -2.856 10.013 -19.122 1.00 0.00 C ATOM 1833 CD ARG A 124 -4.037 10.972 -19.326 1.00 0.00 C ATOM 1834 NE ARG A 124 -4.127 11.229 -20.803 1.00 0.00 N ATOM 1835 CZ ARG A 124 -4.315 12.398 -21.272 1.00 0.00 C ATOM 1836 NH1 ARG A 124 -3.316 13.151 -21.494 1.00 0.00 N ATOM 1837 NH2 ARG A 124 -5.517 12.732 -21.494 1.00 0.00 N ATOM 0 H ARG A 124 -4.647 9.174 -15.319 1.00 0.00 H new ATOM 0 HA ARG A 124 -4.887 8.954 -17.657 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -2.831 10.461 -16.998 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -1.826 9.097 -17.444 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -1.925 10.500 -19.413 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -2.971 9.138 -19.762 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -4.962 10.534 -18.951 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -3.881 11.902 -18.779 1.00 0.00 H new ATOM 0 HE ARG A 124 -4.035 10.445 -21.449 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -2.372 12.818 -21.297 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -3.458 14.089 -21.870 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -6.273 12.076 -21.297 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -5.728 13.656 -21.870 1.00 0.00 H new ATOM 1851 N ASP A 125 -4.695 6.333 -17.550 1.00 0.00 N ATOM 1852 CA ASP A 125 -4.684 4.909 -18.044 1.00 0.00 C ATOM 1853 C ASP A 125 -4.682 4.830 -19.605 1.00 0.00 C ATOM 1854 O ASP A 125 -3.924 4.000 -20.097 1.00 0.00 O ATOM 1855 CB ASP A 125 -5.943 4.193 -17.445 1.00 0.00 C ATOM 1856 CG ASP A 125 -6.000 2.732 -17.896 1.00 0.00 C ATOM 1857 OD1 ASP A 125 -5.383 1.930 -17.215 1.00 0.00 O ATOM 1858 OD2 ASP A 125 -6.661 2.474 -18.886 1.00 0.00 O ATOM 1859 OXT ASP A 125 -5.432 5.592 -20.206 1.00 0.00 O ATOM 0 H ASP A 125 -5.500 6.570 -16.970 1.00 0.00 H new ATOM 0 HA ASP A 125 -3.769 4.415 -17.718 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -5.912 4.242 -16.357 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -6.848 4.712 -17.762 1.00 0.00 H new TER 1864 ASP A 125