USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 733 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -129:sc= 0.0701 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 13:sc= 0.584 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN :FLIP amide:sc= -0.404 F(o=-1.7,f=-0.4) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.923 K(o=-0.92,f=-5.3!) USER MOD Single : A 29 GLN :FLIP amide:sc= 0.214 F(o=-0.53,f=0.21) USER MOD Single : A 34 THR OG1 : rot 180:sc= -1.59 USER MOD Single : A 37 THR OG1 : rot 71:sc= 1.15 USER MOD Single : A 40 SER OG : rot 150:sc= -0.491 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.0644 X(o=-0.064,f=-0.064) USER MOD Single : A 48 CYS SG : rot 24:sc= 0.123 USER MOD Single : A 61 THR OG1 : rot -133:sc= 0.0135 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 129:sc= -5.19! (180deg=-5.98!) USER MOD Single : A 65 THR OG1 : rot -70:sc= 0.228 USER MOD Single : A 66 HIS : no HD1:sc= -3.79 K(o=-3.8,f=-6.8!) USER MOD Single : A 70 GLN : amide:sc= -0.625 K(o=-0.63,f=-1.6!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.163 X(o=-0.16,f=-0.19) USER MOD Single : A 81 CYS SG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 157:sc=-0.00552 (180deg=-0.524) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0307 USER MOD Single : A 93 SER OG : rot -171:sc= -0.448 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 97 SER OG : rot -127:sc= 1.04 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 16:sc= 0.604 USER MOD Single : A 102 SER OG : rot 44:sc= 0.48 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.848 12.022 6.038 1.00 0.00 N ATOM 2 CA GLY A 1 -26.693 11.198 4.854 1.00 0.00 C ATOM 3 C GLY A 1 -25.620 10.140 5.021 1.00 0.00 C ATOM 4 O GLY A 1 -25.160 9.883 6.133 1.00 0.00 O ATOM 0 H1 GLY A 1 -27.851 12.054 6.310 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.291 11.618 6.818 1.00 0.00 H new ATOM 0 H3 GLY A 1 -26.513 12.986 5.837 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -27.643 10.715 4.624 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -26.444 11.833 4.003 1.00 0.00 H new ATOM 8 N SER A 2 -25.221 9.524 3.912 1.00 0.00 N ATOM 9 CA SER A 2 -24.200 8.484 3.941 1.00 0.00 C ATOM 10 C SER A 2 -22.915 8.966 3.274 1.00 0.00 C ATOM 11 O SER A 2 -21.828 8.850 3.840 1.00 0.00 O ATOM 12 CB SER A 2 -24.708 7.221 3.243 1.00 0.00 C ATOM 13 OG SER A 2 -25.435 6.400 4.140 1.00 0.00 O ATOM 0 H SER A 2 -25.590 9.728 2.983 1.00 0.00 H new ATOM 0 HA SER A 2 -23.983 8.251 4.983 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.343 7.497 2.402 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.865 6.663 2.836 1.00 0.00 H new ATOM 0 HG SER A 2 -25.750 5.600 3.669 1.00 0.00 H new ATOM 19 N SER A 3 -23.049 9.506 2.067 1.00 0.00 N ATOM 20 CA SER A 3 -21.899 10.002 1.320 1.00 0.00 C ATOM 21 C SER A 3 -20.713 9.052 1.454 1.00 0.00 C ATOM 22 O SER A 3 -19.568 9.484 1.579 1.00 0.00 O ATOM 23 CB SER A 3 -21.508 11.397 1.812 1.00 0.00 C ATOM 24 OG SER A 3 -21.159 11.374 3.185 1.00 0.00 O ATOM 0 H SER A 3 -23.942 9.611 1.586 1.00 0.00 H new ATOM 0 HA SER A 3 -22.178 10.060 0.268 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.668 11.770 1.226 1.00 0.00 H new ATOM 0 HB3 SER A 3 -22.337 12.087 1.656 1.00 0.00 H new ATOM 0 HG SER A 3 -21.050 10.446 3.479 1.00 0.00 H new ATOM 30 N GLY A 4 -20.997 7.753 1.426 1.00 0.00 N ATOM 31 CA GLY A 4 -19.945 6.761 1.545 1.00 0.00 C ATOM 32 C GLY A 4 -19.526 6.196 0.202 1.00 0.00 C ATOM 33 O GLY A 4 -19.571 4.985 -0.011 1.00 0.00 O ATOM 0 H GLY A 4 -21.937 7.371 1.323 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.080 7.210 2.033 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -20.287 5.949 2.187 1.00 0.00 H new ATOM 37 N SER A 5 -19.118 7.076 -0.707 1.00 0.00 N ATOM 38 CA SER A 5 -18.694 6.659 -2.038 1.00 0.00 C ATOM 39 C SER A 5 -17.239 6.200 -2.026 1.00 0.00 C ATOM 40 O SER A 5 -16.343 6.929 -2.452 1.00 0.00 O ATOM 41 CB SER A 5 -18.871 7.806 -3.035 1.00 0.00 C ATOM 42 OG SER A 5 -20.190 7.833 -3.552 1.00 0.00 O ATOM 0 H SER A 5 -19.072 8.082 -0.546 1.00 0.00 H new ATOM 0 HA SER A 5 -19.319 5.820 -2.345 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.649 8.755 -2.546 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.159 7.695 -3.853 1.00 0.00 H new ATOM 0 HG SER A 5 -20.278 8.576 -4.185 1.00 0.00 H new ATOM 48 N SER A 6 -17.013 4.985 -1.535 1.00 0.00 N ATOM 49 CA SER A 6 -15.667 4.429 -1.464 1.00 0.00 C ATOM 50 C SER A 6 -15.489 3.305 -2.481 1.00 0.00 C ATOM 51 O SER A 6 -16.463 2.747 -2.983 1.00 0.00 O ATOM 52 CB SER A 6 -15.383 3.906 -0.054 1.00 0.00 C ATOM 53 OG SER A 6 -15.723 4.871 0.926 1.00 0.00 O ATOM 0 H SER A 6 -17.744 4.368 -1.181 1.00 0.00 H new ATOM 0 HA SER A 6 -14.959 5.224 -1.699 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.951 2.992 0.119 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.328 3.648 0.036 1.00 0.00 H new ATOM 0 HG SER A 6 -15.534 4.512 1.818 1.00 0.00 H new ATOM 59 N GLY A 7 -14.235 2.980 -2.780 1.00 0.00 N ATOM 60 CA GLY A 7 -13.950 1.925 -3.735 1.00 0.00 C ATOM 61 C GLY A 7 -12.940 0.924 -3.210 1.00 0.00 C ATOM 62 O GLY A 7 -11.776 1.260 -2.997 1.00 0.00 O ATOM 0 H GLY A 7 -13.412 3.428 -2.378 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.875 1.406 -3.985 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.573 2.367 -4.658 1.00 0.00 H new ATOM 66 N ASN A 8 -13.387 -0.310 -2.999 1.00 0.00 N ATOM 67 CA ASN A 8 -12.513 -1.363 -2.492 1.00 0.00 C ATOM 68 C ASN A 8 -11.662 -1.949 -3.614 1.00 0.00 C ATOM 69 O ASN A 8 -12.136 -2.137 -4.735 1.00 0.00 O ATOM 70 CB ASN A 8 -13.342 -2.468 -1.834 1.00 0.00 C ATOM 71 CG ASN A 8 -13.779 -3.530 -2.824 1.00 0.00 C ATOM 72 OD1 ASN A 8 -14.401 -3.102 -3.915 1.00 0.00 O flip ATOM 73 ND2 ASN A 8 -13.559 -4.723 -2.609 1.00 0.00 N flip ATOM 0 H ASN A 8 -14.348 -0.605 -3.171 1.00 0.00 H new ATOM 0 HA ASN A 8 -11.849 -0.924 -1.748 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -12.757 -2.933 -1.040 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -14.222 -2.028 -1.365 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -13.077 -5.007 -1.756 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -13.859 -5.427 -3.284 1.00 0.00 H new ATOM 80 N VAL A 9 -10.402 -2.238 -3.304 1.00 0.00 N ATOM 81 CA VAL A 9 -9.485 -2.806 -4.285 1.00 0.00 C ATOM 82 C VAL A 9 -8.527 -3.797 -3.633 1.00 0.00 C ATOM 83 O VAL A 9 -7.629 -3.409 -2.886 1.00 0.00 O ATOM 84 CB VAL A 9 -8.667 -1.707 -4.990 1.00 0.00 C ATOM 85 CG1 VAL A 9 -7.565 -2.323 -5.839 1.00 0.00 C ATOM 86 CG2 VAL A 9 -9.575 -0.828 -5.837 1.00 0.00 C ATOM 0 H VAL A 9 -9.993 -2.088 -2.382 1.00 0.00 H new ATOM 0 HA VAL A 9 -10.094 -3.327 -5.024 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.200 -1.081 -4.229 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.998 -1.532 -6.329 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.899 -2.906 -5.203 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -8.008 -2.973 -6.594 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -8.981 -0.057 -6.328 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -10.072 -1.438 -6.591 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -10.324 -0.358 -5.200 1.00 0.00 H new ATOM 96 N VAL A 10 -8.725 -5.079 -3.921 1.00 0.00 N ATOM 97 CA VAL A 10 -7.878 -6.127 -3.364 1.00 0.00 C ATOM 98 C VAL A 10 -6.924 -6.680 -4.417 1.00 0.00 C ATOM 99 O VAL A 10 -7.349 -7.316 -5.383 1.00 0.00 O ATOM 100 CB VAL A 10 -8.719 -7.283 -2.791 1.00 0.00 C ATOM 101 CG1 VAL A 10 -7.945 -8.022 -1.710 1.00 0.00 C ATOM 102 CG2 VAL A 10 -10.042 -6.762 -2.250 1.00 0.00 C ATOM 0 H VAL A 10 -9.465 -5.417 -4.537 1.00 0.00 H new ATOM 0 HA VAL A 10 -7.301 -5.673 -2.558 1.00 0.00 H new ATOM 0 HB VAL A 10 -8.934 -7.987 -3.595 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -8.555 -8.835 -1.317 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -7.027 -8.429 -2.134 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.697 -7.332 -0.904 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -10.623 -7.592 -1.849 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -9.851 -6.037 -1.459 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -10.601 -6.283 -3.054 1.00 0.00 H new ATOM 112 N LEU A 11 -5.633 -6.436 -4.224 1.00 0.00 N ATOM 113 CA LEU A 11 -4.616 -6.910 -5.157 1.00 0.00 C ATOM 114 C LEU A 11 -3.913 -8.149 -4.612 1.00 0.00 C ATOM 115 O LEU A 11 -3.553 -8.223 -3.438 1.00 0.00 O ATOM 116 CB LEU A 11 -3.592 -5.807 -5.430 1.00 0.00 C ATOM 117 CG LEU A 11 -4.162 -4.416 -5.710 1.00 0.00 C ATOM 118 CD1 LEU A 11 -3.039 -3.409 -5.907 1.00 0.00 C ATOM 119 CD2 LEU A 11 -5.072 -4.448 -6.929 1.00 0.00 C ATOM 0 H LEU A 11 -5.265 -5.913 -3.430 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.111 -7.177 -6.091 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.924 -5.738 -4.571 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.984 -6.107 -6.283 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.753 -4.106 -4.848 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.463 -2.425 -6.105 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.427 -3.366 -5.006 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.421 -3.714 -6.751 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.469 -3.450 -7.113 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.504 -4.779 -7.798 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.896 -5.138 -6.750 1.00 0.00 H new ATOM 131 N PRO A 12 -3.711 -9.147 -5.486 1.00 0.00 N ATOM 132 CA PRO A 12 -3.047 -10.401 -5.116 1.00 0.00 C ATOM 133 C PRO A 12 -1.559 -10.209 -4.840 1.00 0.00 C ATOM 134 O PRO A 12 -0.879 -9.462 -5.543 1.00 0.00 O ATOM 135 CB PRO A 12 -3.253 -11.287 -6.346 1.00 0.00 C ATOM 136 CG PRO A 12 -3.423 -10.333 -7.478 1.00 0.00 C ATOM 137 CD PRO A 12 -4.114 -9.128 -6.902 1.00 0.00 C ATOM 0 HA PRO A 12 -3.454 -10.823 -4.197 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.399 -11.944 -6.508 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -4.129 -11.925 -6.232 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -2.459 -10.062 -7.908 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -4.015 -10.778 -8.278 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.799 -8.209 -7.397 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -5.196 -9.195 -7.013 1.00 0.00 H new ATOM 145 N GLY A 13 -1.060 -10.889 -3.812 1.00 0.00 N ATOM 146 CA GLY A 13 0.344 -10.780 -3.463 1.00 0.00 C ATOM 147 C GLY A 13 1.007 -12.133 -3.296 1.00 0.00 C ATOM 148 O GLY A 13 0.544 -13.144 -3.824 1.00 0.00 O ATOM 0 H GLY A 13 -1.603 -11.513 -3.215 1.00 0.00 H new ATOM 0 HA2 GLY A 13 0.865 -10.217 -4.237 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.442 -10.214 -2.537 1.00 0.00 H new ATOM 152 N PRO A 14 2.119 -12.163 -2.547 1.00 0.00 N ATOM 153 CA PRO A 14 2.680 -10.965 -1.914 1.00 0.00 C ATOM 154 C PRO A 14 3.273 -9.996 -2.931 1.00 0.00 C ATOM 155 O PRO A 14 3.053 -10.132 -4.134 1.00 0.00 O ATOM 156 CB PRO A 14 3.777 -11.525 -1.005 1.00 0.00 C ATOM 157 CG PRO A 14 4.167 -12.818 -1.634 1.00 0.00 C ATOM 158 CD PRO A 14 2.915 -13.368 -2.260 1.00 0.00 C ATOM 0 HA PRO A 14 1.921 -10.390 -1.384 1.00 0.00 H new ATOM 0 HB2 PRO A 14 4.625 -10.843 -0.942 1.00 0.00 H new ATOM 0 HB3 PRO A 14 3.412 -11.673 0.011 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.945 -12.669 -2.383 1.00 0.00 H new ATOM 0 HG3 PRO A 14 4.568 -13.508 -0.891 1.00 0.00 H new ATOM 0 HD2 PRO A 14 3.133 -13.931 -3.168 1.00 0.00 H new ATOM 0 HD3 PRO A 14 2.391 -14.044 -1.584 1.00 0.00 H new ATOM 166 N ALA A 15 4.027 -9.018 -2.439 1.00 0.00 N ATOM 167 CA ALA A 15 4.654 -8.028 -3.306 1.00 0.00 C ATOM 168 C ALA A 15 5.682 -8.677 -4.227 1.00 0.00 C ATOM 169 O ALA A 15 6.180 -9.773 -3.968 1.00 0.00 O ATOM 170 CB ALA A 15 5.306 -6.935 -2.472 1.00 0.00 C ATOM 0 H ALA A 15 4.218 -8.890 -1.445 1.00 0.00 H new ATOM 0 HA ALA A 15 3.878 -7.582 -3.928 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.771 -6.202 -3.132 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.549 -6.444 -1.860 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.066 -7.375 -1.826 1.00 0.00 H new ATOM 176 N PRO A 16 6.008 -7.987 -5.330 1.00 0.00 N ATOM 177 CA PRO A 16 5.422 -6.682 -5.650 1.00 0.00 C ATOM 178 C PRO A 16 3.949 -6.786 -6.031 1.00 0.00 C ATOM 179 O PRO A 16 3.426 -7.882 -6.231 1.00 0.00 O ATOM 180 CB PRO A 16 6.251 -6.203 -6.844 1.00 0.00 C ATOM 181 CG PRO A 16 6.762 -7.452 -7.475 1.00 0.00 C ATOM 182 CD PRO A 16 6.974 -8.428 -6.350 1.00 0.00 C ATOM 0 HA PRO A 16 5.448 -6.004 -4.797 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.644 -5.627 -7.542 1.00 0.00 H new ATOM 0 HB3 PRO A 16 7.069 -5.557 -6.525 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.049 -7.842 -8.201 1.00 0.00 H new ATOM 0 HG3 PRO A 16 7.693 -7.266 -8.011 1.00 0.00 H new ATOM 0 HD2 PRO A 16 6.784 -9.454 -6.667 1.00 0.00 H new ATOM 0 HD3 PRO A 16 7.997 -8.394 -5.976 1.00 0.00 H new ATOM 190 N TRP A 17 3.286 -5.639 -6.132 1.00 0.00 N ATOM 191 CA TRP A 17 1.873 -5.602 -6.490 1.00 0.00 C ATOM 192 C TRP A 17 1.689 -5.139 -7.931 1.00 0.00 C ATOM 193 O TRP A 17 0.789 -5.600 -8.631 1.00 0.00 O ATOM 194 CB TRP A 17 1.109 -4.676 -5.543 1.00 0.00 C ATOM 195 CG TRP A 17 1.304 -5.015 -4.096 1.00 0.00 C ATOM 196 CD1 TRP A 17 2.108 -4.366 -3.203 1.00 0.00 C ATOM 197 CD2 TRP A 17 0.685 -6.086 -3.376 1.00 0.00 C ATOM 198 NE1 TRP A 17 2.026 -4.969 -1.971 1.00 0.00 N ATOM 199 CE2 TRP A 17 1.159 -6.026 -2.050 1.00 0.00 C ATOM 200 CE3 TRP A 17 -0.226 -7.089 -3.720 1.00 0.00 C ATOM 201 CZ2 TRP A 17 0.753 -6.932 -1.073 1.00 0.00 C ATOM 202 CZ3 TRP A 17 -0.627 -7.987 -2.750 1.00 0.00 C ATOM 203 CH2 TRP A 17 -0.139 -7.903 -1.439 1.00 0.00 C ATOM 0 H TRP A 17 3.704 -4.723 -5.971 1.00 0.00 H new ATOM 0 HA TRP A 17 1.474 -6.612 -6.398 1.00 0.00 H new ATOM 0 HB2 TRP A 17 1.429 -3.648 -5.714 1.00 0.00 H new ATOM 0 HB3 TRP A 17 0.046 -4.723 -5.780 1.00 0.00 H new ATOM 0 HD1 TRP A 17 2.719 -3.505 -3.432 1.00 0.00 H new ATOM 0 HE1 TRP A 17 2.529 -4.677 -1.133 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -0.610 -7.161 -4.727 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 1.129 -6.870 -0.062 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -1.329 -8.767 -3.006 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -0.474 -8.619 -0.703 1.00 0.00 H new ATOM 214 N GLY A 18 2.549 -4.224 -8.369 1.00 0.00 N ATOM 215 CA GLY A 18 2.464 -3.715 -9.725 1.00 0.00 C ATOM 216 C GLY A 18 2.019 -2.266 -9.773 1.00 0.00 C ATOM 217 O GLY A 18 1.899 -1.682 -10.850 1.00 0.00 O ATOM 0 H GLY A 18 3.303 -3.826 -7.809 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.437 -3.809 -10.207 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.765 -4.326 -10.296 1.00 0.00 H new ATOM 221 N PHE A 19 1.773 -1.686 -8.604 1.00 0.00 N ATOM 222 CA PHE A 19 1.336 -0.297 -8.517 1.00 0.00 C ATOM 223 C PHE A 19 2.346 0.543 -7.740 1.00 0.00 C ATOM 224 O PHE A 19 3.048 0.036 -6.865 1.00 0.00 O ATOM 225 CB PHE A 19 -0.037 -0.213 -7.847 1.00 0.00 C ATOM 226 CG PHE A 19 0.031 -0.120 -6.349 1.00 0.00 C ATOM 227 CD1 PHE A 19 0.097 -1.266 -5.573 1.00 0.00 C ATOM 228 CD2 PHE A 19 0.030 1.113 -5.717 1.00 0.00 C ATOM 229 CE1 PHE A 19 0.159 -1.184 -4.195 1.00 0.00 C ATOM 230 CE2 PHE A 19 0.093 1.201 -4.339 1.00 0.00 C ATOM 231 CZ PHE A 19 0.158 0.051 -3.577 1.00 0.00 C ATOM 0 H PHE A 19 1.869 -2.155 -7.703 1.00 0.00 H new ATOM 0 HA PHE A 19 1.263 0.099 -9.530 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.568 0.657 -8.233 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -0.621 -1.091 -8.122 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.100 -2.235 -6.051 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.021 2.016 -6.308 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.208 -2.085 -3.602 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.091 2.168 -3.859 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.208 0.117 -2.500 1.00 0.00 H new ATOM 241 N ARG A 20 2.412 1.829 -8.066 1.00 0.00 N ATOM 242 CA ARG A 20 3.337 2.740 -7.401 1.00 0.00 C ATOM 243 C ARG A 20 2.586 3.705 -6.488 1.00 0.00 C ATOM 244 O ARG A 20 1.355 3.713 -6.453 1.00 0.00 O ATOM 245 CB ARG A 20 4.145 3.525 -8.436 1.00 0.00 C ATOM 246 CG ARG A 20 4.628 2.678 -9.602 1.00 0.00 C ATOM 247 CD ARG A 20 5.478 1.510 -9.128 1.00 0.00 C ATOM 248 NE ARG A 20 6.888 1.871 -9.010 1.00 0.00 N ATOM 249 CZ ARG A 20 7.787 1.126 -8.377 1.00 0.00 C ATOM 250 NH1 ARG A 20 7.425 -0.016 -7.808 1.00 0.00 N ATOM 251 NH2 ARG A 20 9.052 1.522 -8.313 1.00 0.00 N ATOM 0 H ARG A 20 1.836 2.264 -8.787 1.00 0.00 H new ATOM 0 HA ARG A 20 4.019 2.146 -6.792 1.00 0.00 H new ATOM 0 HB2 ARG A 20 3.533 4.341 -8.820 1.00 0.00 H new ATOM 0 HB3 ARG A 20 5.007 3.977 -7.945 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.770 2.302 -10.160 1.00 0.00 H new ATOM 0 HG3 ARG A 20 5.208 3.297 -10.287 1.00 0.00 H new ATOM 0 HD2 ARG A 20 5.111 1.163 -8.162 1.00 0.00 H new ATOM 0 HD3 ARG A 20 5.374 0.679 -9.826 1.00 0.00 H new ATOM 0 HE ARG A 20 7.200 2.743 -9.437 1.00 0.00 H new ATOM 0 HH11 ARG A 20 6.454 -0.324 -7.856 1.00 0.00 H new ATOM 0 HH12 ARG A 20 8.118 -0.586 -7.323 1.00 0.00 H new ATOM 0 HH21 ARG A 20 9.335 2.399 -8.750 1.00 0.00 H new ATOM 0 HH22 ARG A 20 9.742 0.949 -7.827 1.00 0.00 H new ATOM 265 N LEU A 21 3.336 4.515 -5.749 1.00 0.00 N ATOM 266 CA LEU A 21 2.743 5.484 -4.834 1.00 0.00 C ATOM 267 C LEU A 21 3.463 6.825 -4.919 1.00 0.00 C ATOM 268 O LEU A 21 4.653 6.884 -5.229 1.00 0.00 O ATOM 269 CB LEU A 21 2.791 4.956 -3.399 1.00 0.00 C ATOM 270 CG LEU A 21 3.980 4.058 -3.054 1.00 0.00 C ATOM 271 CD1 LEU A 21 5.290 4.784 -3.314 1.00 0.00 C ATOM 272 CD2 LEU A 21 3.900 3.600 -1.605 1.00 0.00 C ATOM 0 H LEU A 21 4.356 4.520 -5.765 1.00 0.00 H new ATOM 0 HA LEU A 21 1.703 5.632 -5.125 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.796 5.808 -2.719 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.873 4.400 -3.207 1.00 0.00 H new ATOM 0 HG LEU A 21 3.943 3.177 -3.695 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.125 4.130 -3.063 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.350 5.061 -4.367 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.336 5.683 -2.699 1.00 0.00 H new ATOM 0 HD21 LEU A 21 4.754 2.962 -1.377 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.911 4.469 -0.948 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.978 3.040 -1.451 1.00 0.00 H new ATOM 284 N SER A 22 2.735 7.901 -4.639 1.00 0.00 N ATOM 285 CA SER A 22 3.304 9.243 -4.685 1.00 0.00 C ATOM 286 C SER A 22 2.582 10.173 -3.715 1.00 0.00 C ATOM 287 O SER A 22 1.424 9.947 -3.365 1.00 0.00 O ATOM 288 CB SER A 22 3.222 9.806 -6.106 1.00 0.00 C ATOM 289 OG SER A 22 4.128 10.881 -6.281 1.00 0.00 O ATOM 0 H SER A 22 1.750 7.870 -4.378 1.00 0.00 H new ATOM 0 HA SER A 22 4.350 9.178 -4.387 1.00 0.00 H new ATOM 0 HB2 SER A 22 3.444 9.018 -6.826 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.206 10.146 -6.308 1.00 0.00 H new ATOM 0 HG SER A 22 4.058 11.222 -7.197 1.00 0.00 H new ATOM 295 N GLY A 23 3.276 11.222 -3.283 1.00 0.00 N ATOM 296 CA GLY A 23 2.686 12.171 -2.358 1.00 0.00 C ATOM 297 C GLY A 23 2.877 11.764 -0.910 1.00 0.00 C ATOM 298 O GLY A 23 3.811 11.034 -0.581 1.00 0.00 O ATOM 0 H GLY A 23 4.236 11.431 -3.557 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.130 13.154 -2.518 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.621 12.265 -2.568 1.00 0.00 H new ATOM 302 N GLY A 24 1.989 12.240 -0.041 1.00 0.00 N ATOM 303 CA GLY A 24 2.083 11.911 1.369 1.00 0.00 C ATOM 304 C GLY A 24 1.586 13.033 2.260 1.00 0.00 C ATOM 305 O GLY A 24 1.702 14.208 1.912 1.00 0.00 O ATOM 0 H GLY A 24 1.207 12.847 -0.289 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.504 11.009 1.568 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.120 11.685 1.618 1.00 0.00 H new ATOM 309 N ILE A 25 1.029 12.670 3.410 1.00 0.00 N ATOM 310 CA ILE A 25 0.512 13.655 4.352 1.00 0.00 C ATOM 311 C ILE A 25 1.619 14.586 4.837 1.00 0.00 C ATOM 312 O ILE A 25 1.349 15.672 5.351 1.00 0.00 O ATOM 313 CB ILE A 25 -0.144 12.978 5.571 1.00 0.00 C ATOM 314 CG1 ILE A 25 0.901 12.203 6.375 1.00 0.00 C ATOM 315 CG2 ILE A 25 -1.267 12.055 5.123 1.00 0.00 C ATOM 316 CD1 ILE A 25 0.560 12.074 7.843 1.00 0.00 C ATOM 0 H ILE A 25 0.924 11.701 3.712 1.00 0.00 H new ATOM 0 HA ILE A 25 -0.241 14.236 3.820 1.00 0.00 H new ATOM 0 HB ILE A 25 -0.569 13.750 6.212 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.011 11.207 5.947 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.866 12.701 6.277 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.721 11.584 5.995 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.021 12.633 4.589 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -0.865 11.286 4.464 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.345 11.513 8.351 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.478 13.066 8.286 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.389 11.549 7.951 1.00 0.00 H new ATOM 328 N ASP A 26 2.864 14.155 4.667 1.00 0.00 N ATOM 329 CA ASP A 26 4.012 14.951 5.084 1.00 0.00 C ATOM 330 C ASP A 26 4.381 15.975 4.015 1.00 0.00 C ATOM 331 O ASP A 26 4.820 17.082 4.326 1.00 0.00 O ATOM 332 CB ASP A 26 5.210 14.045 5.374 1.00 0.00 C ATOM 333 CG ASP A 26 6.512 14.816 5.461 1.00 0.00 C ATOM 334 OD1 ASP A 26 6.772 15.423 6.521 1.00 0.00 O ATOM 335 OD2 ASP A 26 7.270 14.814 4.469 1.00 0.00 O ATOM 0 H ASP A 26 3.104 13.259 4.243 1.00 0.00 H new ATOM 0 HA ASP A 26 3.741 15.485 5.995 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.042 13.515 6.311 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.289 13.291 4.591 1.00 0.00 H new ATOM 340 N PHE A 27 4.199 15.597 2.754 1.00 0.00 N ATOM 341 CA PHE A 27 4.515 16.481 1.638 1.00 0.00 C ATOM 342 C PHE A 27 3.312 17.348 1.274 1.00 0.00 C ATOM 343 O PHE A 27 3.296 17.998 0.230 1.00 0.00 O ATOM 344 CB PHE A 27 4.956 15.665 0.421 1.00 0.00 C ATOM 345 CG PHE A 27 6.296 15.008 0.595 1.00 0.00 C ATOM 346 CD1 PHE A 27 6.402 13.772 1.212 1.00 0.00 C ATOM 347 CD2 PHE A 27 7.450 15.627 0.141 1.00 0.00 C ATOM 348 CE1 PHE A 27 7.633 13.165 1.372 1.00 0.00 C ATOM 349 CE2 PHE A 27 8.683 15.024 0.298 1.00 0.00 C ATOM 350 CZ PHE A 27 8.775 13.792 0.916 1.00 0.00 C ATOM 0 H PHE A 27 3.834 14.685 2.479 1.00 0.00 H new ATOM 0 HA PHE A 27 5.333 17.133 1.944 1.00 0.00 H new ATOM 0 HB2 PHE A 27 4.208 14.899 0.217 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.990 16.318 -0.451 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.512 13.277 1.572 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.385 16.591 -0.341 1.00 0.00 H new ATOM 0 HE1 PHE A 27 7.702 12.201 1.853 1.00 0.00 H new ATOM 0 HE2 PHE A 27 9.575 15.516 -0.062 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.738 13.320 1.042 1.00 0.00 H new ATOM 360 N ASN A 28 2.307 17.350 2.143 1.00 0.00 N ATOM 361 CA ASN A 28 1.100 18.135 1.914 1.00 0.00 C ATOM 362 C ASN A 28 0.423 17.722 0.610 1.00 0.00 C ATOM 363 O ASN A 28 -0.085 18.564 -0.129 1.00 0.00 O ATOM 364 CB ASN A 28 1.436 19.627 1.877 1.00 0.00 C ATOM 365 CG ASN A 28 2.410 20.027 2.968 1.00 0.00 C ATOM 366 OD1 ASN A 28 3.569 19.613 2.963 1.00 0.00 O ATOM 367 ND2 ASN A 28 1.942 20.836 3.912 1.00 0.00 N ATOM 0 H ASN A 28 2.305 16.817 3.012 1.00 0.00 H new ATOM 0 HA ASN A 28 0.411 17.945 2.737 1.00 0.00 H new ATOM 0 HB2 ASN A 28 1.861 19.877 0.905 1.00 0.00 H new ATOM 0 HB3 ASN A 28 0.519 20.206 1.982 1.00 0.00 H new ATOM 0 HD21 ASN A 28 2.551 21.138 4.672 1.00 0.00 H new ATOM 0 HD22 ASN A 28 0.974 21.155 3.876 1.00 0.00 H new ATOM 374 N GLN A 29 0.419 16.422 0.337 1.00 0.00 N ATOM 375 CA GLN A 29 -0.195 15.898 -0.877 1.00 0.00 C ATOM 376 C GLN A 29 -0.805 14.522 -0.629 1.00 0.00 C ATOM 377 O GLN A 29 -0.299 13.726 0.162 1.00 0.00 O ATOM 378 CB GLN A 29 0.838 15.816 -2.002 1.00 0.00 C ATOM 379 CG GLN A 29 1.059 17.136 -2.723 1.00 0.00 C ATOM 380 CD GLN A 29 -0.200 17.654 -3.390 1.00 0.00 C ATOM 381 OE1 GLN A 29 -0.468 17.177 -4.600 1.00 0.00 O flip ATOM 382 NE2 GLN A 29 -0.923 18.475 -2.825 1.00 0.00 N flip ATOM 0 H GLN A 29 0.834 15.712 0.940 1.00 0.00 H new ATOM 0 HA GLN A 29 -0.992 16.580 -1.174 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.787 15.474 -1.588 1.00 0.00 H new ATOM 0 HB3 GLN A 29 0.517 15.066 -2.725 1.00 0.00 H new ATOM 0 HG2 GLN A 29 1.420 17.878 -2.011 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.838 17.009 -3.475 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -0.679 18.815 -1.895 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -1.766 18.815 -3.287 1.00 0.00 H new ATOM 391 N PRO A 30 -1.919 14.235 -1.319 1.00 0.00 N ATOM 392 CA PRO A 30 -2.621 12.955 -1.190 1.00 0.00 C ATOM 393 C PRO A 30 -1.832 11.797 -1.792 1.00 0.00 C ATOM 394 O PRO A 30 -1.192 11.943 -2.834 1.00 0.00 O ATOM 395 CB PRO A 30 -3.918 13.181 -1.972 1.00 0.00 C ATOM 396 CG PRO A 30 -3.584 14.249 -2.956 1.00 0.00 C ATOM 397 CD PRO A 30 -2.577 15.137 -2.279 1.00 0.00 C ATOM 0 HA PRO A 30 -2.778 12.680 -0.147 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -4.243 12.269 -2.472 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -4.729 13.489 -1.313 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.174 13.822 -3.871 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -4.474 14.812 -3.238 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.865 15.554 -2.992 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.056 15.978 -1.777 1.00 0.00 H new ATOM 405 N LEU A 31 -1.882 10.646 -1.130 1.00 0.00 N ATOM 406 CA LEU A 31 -1.171 9.462 -1.600 1.00 0.00 C ATOM 407 C LEU A 31 -1.852 8.871 -2.830 1.00 0.00 C ATOM 408 O LEU A 31 -2.872 8.191 -2.722 1.00 0.00 O ATOM 409 CB LEU A 31 -1.100 8.412 -0.489 1.00 0.00 C ATOM 410 CG LEU A 31 -0.335 8.819 0.771 1.00 0.00 C ATOM 411 CD1 LEU A 31 -0.737 7.941 1.946 1.00 0.00 C ATOM 412 CD2 LEU A 31 1.166 8.741 0.533 1.00 0.00 C ATOM 0 H LEU A 31 -2.407 10.508 -0.267 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.160 9.761 -1.875 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.117 8.146 -0.202 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.638 7.512 -0.896 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.591 9.851 1.011 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.183 8.245 2.834 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.806 8.048 2.131 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.511 6.900 1.716 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.694 9.034 1.440 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.440 7.720 0.268 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.441 9.413 -0.280 1.00 0.00 H new ATOM 424 N VAL A 32 -1.279 9.134 -4.001 1.00 0.00 N ATOM 425 CA VAL A 32 -1.828 8.626 -5.252 1.00 0.00 C ATOM 426 C VAL A 32 -0.820 7.740 -5.975 1.00 0.00 C ATOM 427 O VAL A 32 0.382 7.812 -5.718 1.00 0.00 O ATOM 428 CB VAL A 32 -2.248 9.775 -6.188 1.00 0.00 C ATOM 429 CG1 VAL A 32 -3.405 10.559 -5.586 1.00 0.00 C ATOM 430 CG2 VAL A 32 -1.066 10.689 -6.474 1.00 0.00 C ATOM 0 H VAL A 32 -0.435 9.696 -4.109 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.708 8.036 -4.995 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.583 9.346 -7.132 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.688 11.366 -6.261 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.257 9.895 -5.438 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.101 10.978 -4.627 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.381 11.495 -7.137 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.698 11.111 -5.539 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.271 10.117 -6.952 1.00 0.00 H new ATOM 440 N ILE A 33 -1.318 6.903 -6.879 1.00 0.00 N ATOM 441 CA ILE A 33 -0.461 6.003 -7.640 1.00 0.00 C ATOM 442 C ILE A 33 0.377 6.771 -8.658 1.00 0.00 C ATOM 443 O ILE A 33 -0.098 7.723 -9.278 1.00 0.00 O ATOM 444 CB ILE A 33 -1.284 4.929 -8.376 1.00 0.00 C ATOM 445 CG1 ILE A 33 -2.041 4.059 -7.371 1.00 0.00 C ATOM 446 CG2 ILE A 33 -0.378 4.074 -9.249 1.00 0.00 C ATOM 447 CD1 ILE A 33 -3.319 3.469 -7.924 1.00 0.00 C ATOM 0 H ILE A 33 -2.311 6.830 -7.102 1.00 0.00 H new ATOM 0 HA ILE A 33 0.199 5.515 -6.923 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.011 5.425 -9.018 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.390 3.250 -7.041 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.278 4.657 -6.491 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.974 3.320 -9.763 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.120 4.706 -9.985 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.370 3.583 -8.626 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.802 2.864 -7.157 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.989 4.273 -8.228 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -3.088 2.844 -8.786 1.00 0.00 H new ATOM 459 N THR A 34 1.627 6.350 -8.826 1.00 0.00 N ATOM 460 CA THR A 34 2.531 6.997 -9.768 1.00 0.00 C ATOM 461 C THR A 34 2.476 6.322 -11.134 1.00 0.00 C ATOM 462 O THR A 34 2.532 6.987 -12.168 1.00 0.00 O ATOM 463 CB THR A 34 3.983 6.978 -9.256 1.00 0.00 C ATOM 464 OG1 THR A 34 4.702 5.898 -9.863 1.00 0.00 O ATOM 465 CG2 THR A 34 4.022 6.833 -7.743 1.00 0.00 C ATOM 0 H THR A 34 2.036 5.563 -8.321 1.00 0.00 H new ATOM 0 HA THR A 34 2.201 8.032 -9.864 1.00 0.00 H new ATOM 0 HB THR A 34 4.452 7.924 -9.526 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.625 5.894 -9.534 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.058 6.822 -7.405 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.499 7.672 -7.283 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.536 5.901 -7.454 1.00 0.00 H new ATOM 473 N ARG A 35 2.366 4.998 -11.130 1.00 0.00 N ATOM 474 CA ARG A 35 2.304 4.233 -12.370 1.00 0.00 C ATOM 475 C ARG A 35 1.687 2.858 -12.130 1.00 0.00 C ATOM 476 O ARG A 35 1.763 2.316 -11.027 1.00 0.00 O ATOM 477 CB ARG A 35 3.703 4.078 -12.969 1.00 0.00 C ATOM 478 CG ARG A 35 3.700 3.823 -14.467 1.00 0.00 C ATOM 479 CD ARG A 35 3.705 5.124 -15.254 1.00 0.00 C ATOM 480 NE ARG A 35 3.813 4.893 -16.692 1.00 0.00 N ATOM 481 CZ ARG A 35 2.832 4.389 -17.432 1.00 0.00 C ATOM 482 NH1 ARG A 35 1.675 4.066 -16.872 1.00 0.00 N ATOM 483 NH2 ARG A 35 3.007 4.209 -18.735 1.00 0.00 N ATOM 0 H ARG A 35 2.318 4.433 -10.282 1.00 0.00 H new ATOM 0 HA ARG A 35 1.674 4.778 -13.073 1.00 0.00 H new ATOM 0 HB2 ARG A 35 4.279 4.981 -12.764 1.00 0.00 H new ATOM 0 HB3 ARG A 35 4.213 3.254 -12.470 1.00 0.00 H new ATOM 0 HG2 ARG A 35 4.573 3.229 -14.738 1.00 0.00 H new ATOM 0 HG3 ARG A 35 2.821 3.237 -14.736 1.00 0.00 H new ATOM 0 HD2 ARG A 35 2.790 5.679 -15.044 1.00 0.00 H new ATOM 0 HD3 ARG A 35 4.538 5.745 -14.923 1.00 0.00 H new ATOM 0 HE ARG A 35 4.691 5.132 -17.154 1.00 0.00 H new ATOM 0 HH11 ARG A 35 1.537 4.204 -15.871 1.00 0.00 H new ATOM 0 HH12 ARG A 35 0.923 3.679 -17.442 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.896 4.458 -19.169 1.00 0.00 H new ATOM 0 HH22 ARG A 35 2.253 3.822 -19.302 1.00 0.00 H new ATOM 497 N ILE A 36 1.077 2.300 -13.170 1.00 0.00 N ATOM 498 CA ILE A 36 0.447 0.989 -13.073 1.00 0.00 C ATOM 499 C ILE A 36 0.965 0.048 -14.156 1.00 0.00 C ATOM 500 O ILE A 36 1.139 0.446 -15.308 1.00 0.00 O ATOM 501 CB ILE A 36 -1.085 1.090 -13.186 1.00 0.00 C ATOM 502 CG1 ILE A 36 -1.654 1.888 -12.011 1.00 0.00 C ATOM 503 CG2 ILE A 36 -1.705 -0.298 -13.241 1.00 0.00 C ATOM 504 CD1 ILE A 36 -1.499 1.192 -10.677 1.00 0.00 C ATOM 0 H ILE A 36 1.006 2.735 -14.090 1.00 0.00 H new ATOM 0 HA ILE A 36 0.705 0.588 -12.093 1.00 0.00 H new ATOM 0 HB ILE A 36 -1.332 1.614 -14.109 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.157 2.857 -11.966 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.712 2.080 -12.191 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.788 -0.210 -13.321 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.320 -0.834 -14.108 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.452 -0.846 -12.333 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.924 1.815 -9.890 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.020 0.235 -10.703 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.441 1.024 -10.475 1.00 0.00 H new ATOM 516 N THR A 37 1.209 -1.203 -13.778 1.00 0.00 N ATOM 517 CA THR A 37 1.706 -2.201 -14.717 1.00 0.00 C ATOM 518 C THR A 37 0.584 -2.727 -15.605 1.00 0.00 C ATOM 519 O THR A 37 -0.336 -3.405 -15.148 1.00 0.00 O ATOM 520 CB THR A 37 2.362 -3.385 -13.982 1.00 0.00 C ATOM 521 OG1 THR A 37 3.211 -2.902 -12.934 1.00 0.00 O ATOM 522 CG2 THR A 37 3.173 -4.238 -14.946 1.00 0.00 C ATOM 0 H THR A 37 1.071 -1.549 -12.828 1.00 0.00 H new ATOM 0 HA THR A 37 2.455 -1.708 -15.337 1.00 0.00 H new ATOM 0 HB THR A 37 1.571 -4.001 -13.553 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.661 -2.540 -12.208 1.00 0.00 H new ATOM 0 HG21 THR A 37 3.627 -5.068 -14.404 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.519 -4.628 -15.726 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.956 -3.630 -15.400 1.00 0.00 H new ATOM 530 N PRO A 38 0.661 -2.410 -16.906 1.00 0.00 N ATOM 531 CA PRO A 38 -0.340 -2.843 -17.886 1.00 0.00 C ATOM 532 C PRO A 38 -0.284 -4.344 -18.148 1.00 0.00 C ATOM 533 O PRO A 38 0.736 -4.868 -18.593 1.00 0.00 O ATOM 534 CB PRO A 38 0.041 -2.065 -19.149 1.00 0.00 C ATOM 535 CG PRO A 38 1.496 -1.783 -18.995 1.00 0.00 C ATOM 536 CD PRO A 38 1.730 -1.606 -17.521 1.00 0.00 C ATOM 0 HA PRO A 38 -1.356 -2.653 -17.542 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -0.156 -2.649 -20.048 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -0.534 -1.143 -19.235 1.00 0.00 H new ATOM 0 HG2 PRO A 38 2.096 -2.603 -19.390 1.00 0.00 H new ATOM 0 HG3 PRO A 38 1.780 -0.886 -19.546 1.00 0.00 H new ATOM 0 HD2 PRO A 38 2.718 -1.959 -17.226 1.00 0.00 H new ATOM 0 HD3 PRO A 38 1.665 -0.558 -17.227 1.00 0.00 H new ATOM 544 N GLY A 39 -1.388 -5.030 -17.870 1.00 0.00 N ATOM 545 CA GLY A 39 -1.443 -6.465 -18.082 1.00 0.00 C ATOM 546 C GLY A 39 -0.875 -7.246 -16.914 1.00 0.00 C ATOM 547 O GLY A 39 -0.097 -8.182 -17.103 1.00 0.00 O ATOM 0 H GLY A 39 -2.245 -4.618 -17.502 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.478 -6.765 -18.247 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.890 -6.717 -18.987 1.00 0.00 H new ATOM 551 N SER A 40 -1.262 -6.861 -15.702 1.00 0.00 N ATOM 552 CA SER A 40 -0.782 -7.529 -14.498 1.00 0.00 C ATOM 553 C SER A 40 -1.776 -7.365 -13.353 1.00 0.00 C ATOM 554 O SER A 40 -2.853 -6.793 -13.526 1.00 0.00 O ATOM 555 CB SER A 40 0.582 -6.969 -14.089 1.00 0.00 C ATOM 556 OG SER A 40 0.439 -5.889 -13.183 1.00 0.00 O ATOM 0 H SER A 40 -1.907 -6.090 -15.528 1.00 0.00 H new ATOM 0 HA SER A 40 -0.680 -8.592 -14.717 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.179 -7.757 -13.629 1.00 0.00 H new ATOM 0 HB3 SER A 40 1.122 -6.635 -14.975 1.00 0.00 H new ATOM 0 HG SER A 40 1.216 -5.858 -12.586 1.00 0.00 H new ATOM 562 N LYS A 41 -1.408 -7.871 -12.181 1.00 0.00 N ATOM 563 CA LYS A 41 -2.265 -7.781 -11.004 1.00 0.00 C ATOM 564 C LYS A 41 -2.587 -6.327 -10.676 1.00 0.00 C ATOM 565 O LYS A 41 -3.536 -6.041 -9.946 1.00 0.00 O ATOM 566 CB LYS A 41 -1.590 -8.449 -9.804 1.00 0.00 C ATOM 567 CG LYS A 41 -1.252 -9.912 -10.033 1.00 0.00 C ATOM 568 CD LYS A 41 -0.114 -10.368 -9.136 1.00 0.00 C ATOM 569 CE LYS A 41 0.568 -11.610 -9.689 1.00 0.00 C ATOM 570 NZ LYS A 41 1.189 -12.429 -8.611 1.00 0.00 N ATOM 0 H LYS A 41 -0.521 -8.348 -12.020 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.198 -8.301 -11.224 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.675 -7.907 -9.564 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.246 -8.368 -8.937 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.134 -10.524 -9.843 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.977 -10.064 -11.077 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.616 -9.565 -9.036 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -0.498 -10.576 -8.137 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.161 -12.214 -10.230 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.333 -11.315 -10.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 1.643 -13.266 -9.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.903 -11.861 -8.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.455 -12.732 -7.939 1.00 0.00 H new ATOM 584 N ALA A 42 -1.791 -5.412 -11.220 1.00 0.00 N ATOM 585 CA ALA A 42 -1.994 -3.987 -10.986 1.00 0.00 C ATOM 586 C ALA A 42 -3.020 -3.413 -11.957 1.00 0.00 C ATOM 587 O ALA A 42 -4.138 -3.078 -11.568 1.00 0.00 O ATOM 588 CB ALA A 42 -0.674 -3.240 -11.107 1.00 0.00 C ATOM 0 H ALA A 42 -1.000 -5.632 -11.825 1.00 0.00 H new ATOM 0 HA ALA A 42 -2.379 -3.860 -9.974 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -0.840 -2.177 -10.930 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.031 -3.625 -10.370 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.266 -3.382 -12.108 1.00 0.00 H new ATOM 594 N ALA A 43 -2.631 -3.301 -13.223 1.00 0.00 N ATOM 595 CA ALA A 43 -3.518 -2.768 -14.250 1.00 0.00 C ATOM 596 C ALA A 43 -4.793 -3.597 -14.358 1.00 0.00 C ATOM 597 O ALA A 43 -5.884 -3.055 -14.539 1.00 0.00 O ATOM 598 CB ALA A 43 -2.802 -2.719 -15.592 1.00 0.00 C ATOM 0 H ALA A 43 -1.708 -3.572 -13.562 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.798 -1.754 -13.963 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.476 -2.319 -16.350 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.924 -2.078 -15.513 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.493 -3.725 -15.876 1.00 0.00 H new ATOM 604 N ALA A 44 -4.649 -4.913 -14.248 1.00 0.00 N ATOM 605 CA ALA A 44 -5.790 -5.817 -14.332 1.00 0.00 C ATOM 606 C ALA A 44 -6.767 -5.576 -13.186 1.00 0.00 C ATOM 607 O ALA A 44 -7.945 -5.919 -13.279 1.00 0.00 O ATOM 608 CB ALA A 44 -5.319 -7.263 -14.331 1.00 0.00 C ATOM 0 H ALA A 44 -3.753 -5.378 -14.100 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.312 -5.617 -15.268 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -6.181 -7.927 -14.394 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.666 -7.434 -15.187 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.771 -7.467 -13.411 1.00 0.00 H new ATOM 614 N ALA A 45 -6.269 -4.984 -12.105 1.00 0.00 N ATOM 615 CA ALA A 45 -7.098 -4.696 -10.941 1.00 0.00 C ATOM 616 C ALA A 45 -7.805 -3.353 -11.090 1.00 0.00 C ATOM 617 O ALA A 45 -8.301 -2.791 -10.114 1.00 0.00 O ATOM 618 CB ALA A 45 -6.255 -4.714 -9.675 1.00 0.00 C ATOM 0 H ALA A 45 -5.295 -4.695 -12.011 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.860 -5.472 -10.867 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.887 -4.497 -8.814 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.801 -5.698 -9.554 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.471 -3.960 -9.749 1.00 0.00 H new ATOM 624 N ASN A 46 -7.846 -2.843 -12.316 1.00 0.00 N ATOM 625 CA ASN A 46 -8.491 -1.564 -12.592 1.00 0.00 C ATOM 626 C ASN A 46 -7.758 -0.424 -11.891 1.00 0.00 C ATOM 627 O ASN A 46 -8.371 0.564 -11.483 1.00 0.00 O ATOM 628 CB ASN A 46 -9.953 -1.600 -12.141 1.00 0.00 C ATOM 629 CG ASN A 46 -10.656 -2.876 -12.560 1.00 0.00 C ATOM 630 OD1 ASN A 46 -11.200 -3.601 -11.727 1.00 0.00 O ATOM 631 ND2 ASN A 46 -10.648 -3.157 -13.858 1.00 0.00 N ATOM 0 H ASN A 46 -7.440 -3.296 -13.135 1.00 0.00 H new ATOM 0 HA ASN A 46 -8.454 -1.389 -13.667 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -9.998 -1.503 -11.056 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.481 -0.743 -12.560 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -11.105 -4.002 -14.200 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -10.185 -2.527 -14.513 1.00 0.00 H new ATOM 638 N LEU A 47 -6.445 -0.566 -11.756 1.00 0.00 N ATOM 639 CA LEU A 47 -5.627 0.452 -11.106 1.00 0.00 C ATOM 640 C LEU A 47 -5.081 1.445 -12.127 1.00 0.00 C ATOM 641 O LEU A 47 -4.753 1.074 -13.254 1.00 0.00 O ATOM 642 CB LEU A 47 -4.473 -0.202 -10.344 1.00 0.00 C ATOM 643 CG LEU A 47 -4.865 -1.245 -9.298 1.00 0.00 C ATOM 644 CD1 LEU A 47 -3.626 -1.839 -8.646 1.00 0.00 C ATOM 645 CD2 LEU A 47 -5.779 -0.630 -8.248 1.00 0.00 C ATOM 0 H LEU A 47 -5.923 -1.377 -12.088 1.00 0.00 H new ATOM 0 HA LEU A 47 -6.257 0.994 -10.401 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.808 -0.674 -11.067 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.900 0.582 -9.849 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.407 -2.047 -9.798 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.925 -2.580 -7.904 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.008 -2.316 -9.407 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.056 -1.048 -8.159 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.048 -1.387 -7.511 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.262 0.192 -7.752 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.682 -0.253 -8.728 1.00 0.00 H new ATOM 657 N CYS A 48 -4.984 2.707 -11.723 1.00 0.00 N ATOM 658 CA CYS A 48 -4.475 3.754 -12.602 1.00 0.00 C ATOM 659 C CYS A 48 -3.714 4.809 -11.807 1.00 0.00 C ATOM 660 O CYS A 48 -4.051 5.125 -10.666 1.00 0.00 O ATOM 661 CB CYS A 48 -5.625 4.407 -13.370 1.00 0.00 C ATOM 662 SG CYS A 48 -6.074 3.550 -14.898 1.00 0.00 S ATOM 0 H CYS A 48 -5.251 3.030 -10.793 1.00 0.00 H new ATOM 0 HA CYS A 48 -3.787 3.295 -13.313 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -6.500 4.454 -12.722 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -5.351 5.434 -13.610 1.00 0.00 H new ATOM 0 HG CYS A 48 -5.707 2.305 -14.821 1.00 0.00 H new ATOM 668 N PRO A 49 -2.660 5.368 -12.422 1.00 0.00 N ATOM 669 CA PRO A 49 -1.828 6.395 -11.789 1.00 0.00 C ATOM 670 C PRO A 49 -2.564 7.722 -11.632 1.00 0.00 C ATOM 671 O PRO A 49 -2.588 8.541 -12.549 1.00 0.00 O ATOM 672 CB PRO A 49 -0.653 6.547 -12.758 1.00 0.00 C ATOM 673 CG PRO A 49 -1.193 6.115 -14.078 1.00 0.00 C ATOM 674 CD PRO A 49 -2.201 5.039 -13.781 1.00 0.00 C ATOM 0 HA PRO A 49 -1.531 6.113 -10.779 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.299 7.577 -12.793 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.193 5.930 -12.455 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.657 6.950 -14.602 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.397 5.738 -14.721 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.023 5.050 -14.497 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -1.754 4.046 -13.825 1.00 0.00 H new ATOM 682 N GLY A 50 -3.164 7.926 -10.463 1.00 0.00 N ATOM 683 CA GLY A 50 -3.892 9.155 -10.208 1.00 0.00 C ATOM 684 C GLY A 50 -4.901 9.010 -9.087 1.00 0.00 C ATOM 685 O GLY A 50 -5.269 9.991 -8.442 1.00 0.00 O ATOM 0 H GLY A 50 -3.159 7.262 -9.689 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -3.186 9.946 -9.957 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.407 9.464 -11.118 1.00 0.00 H new ATOM 689 N ASP A 51 -5.351 7.781 -8.855 1.00 0.00 N ATOM 690 CA ASP A 51 -6.325 7.510 -7.803 1.00 0.00 C ATOM 691 C ASP A 51 -5.762 7.876 -6.434 1.00 0.00 C ATOM 692 O ASP A 51 -4.550 7.848 -6.221 1.00 0.00 O ATOM 693 CB ASP A 51 -6.733 6.036 -7.824 1.00 0.00 C ATOM 694 CG ASP A 51 -7.897 5.770 -8.758 1.00 0.00 C ATOM 695 OD1 ASP A 51 -9.017 6.230 -8.455 1.00 0.00 O ATOM 696 OD2 ASP A 51 -7.687 5.102 -9.792 1.00 0.00 O ATOM 0 H ASP A 51 -5.057 6.958 -9.381 1.00 0.00 H new ATOM 0 HA ASP A 51 -7.205 8.125 -7.989 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.880 5.430 -8.130 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -7.001 5.722 -6.815 1.00 0.00 H new ATOM 701 N VAL A 52 -6.650 8.220 -5.507 1.00 0.00 N ATOM 702 CA VAL A 52 -6.242 8.591 -4.157 1.00 0.00 C ATOM 703 C VAL A 52 -6.431 7.431 -3.187 1.00 0.00 C ATOM 704 O VAL A 52 -7.492 6.806 -3.150 1.00 0.00 O ATOM 705 CB VAL A 52 -7.036 9.808 -3.646 1.00 0.00 C ATOM 706 CG1 VAL A 52 -6.591 10.184 -2.241 1.00 0.00 C ATOM 707 CG2 VAL A 52 -6.879 10.985 -4.597 1.00 0.00 C ATOM 0 H VAL A 52 -7.657 8.250 -5.666 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.184 8.850 -4.206 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.092 9.541 -3.608 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.163 11.046 -1.897 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.761 9.343 -1.568 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.530 10.433 -2.250 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -7.447 11.836 -4.220 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.826 11.256 -4.670 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -7.252 10.708 -5.583 1.00 0.00 H new ATOM 717 N ILE A 53 -5.397 7.148 -2.403 1.00 0.00 N ATOM 718 CA ILE A 53 -5.449 6.063 -1.431 1.00 0.00 C ATOM 719 C ILE A 53 -6.012 6.545 -0.098 1.00 0.00 C ATOM 720 O ILE A 53 -5.360 7.297 0.628 1.00 0.00 O ATOM 721 CB ILE A 53 -4.056 5.450 -1.195 1.00 0.00 C ATOM 722 CG1 ILE A 53 -3.369 5.161 -2.532 1.00 0.00 C ATOM 723 CG2 ILE A 53 -4.170 4.179 -0.367 1.00 0.00 C ATOM 724 CD1 ILE A 53 -3.687 3.792 -3.091 1.00 0.00 C ATOM 0 H ILE A 53 -4.512 7.655 -2.422 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.107 5.300 -1.846 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.449 6.167 -0.643 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.668 5.919 -3.256 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.290 5.251 -2.404 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.177 3.758 -0.209 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -4.623 4.412 0.597 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.791 3.455 -0.895 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.166 3.656 -4.039 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.363 3.027 -2.386 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.762 3.705 -3.252 1.00 0.00 H new ATOM 736 N LEU A 54 -7.226 6.108 0.218 1.00 0.00 N ATOM 737 CA LEU A 54 -7.877 6.493 1.466 1.00 0.00 C ATOM 738 C LEU A 54 -7.314 5.701 2.641 1.00 0.00 C ATOM 739 O LEU A 54 -6.968 6.269 3.676 1.00 0.00 O ATOM 740 CB LEU A 54 -9.387 6.273 1.365 1.00 0.00 C ATOM 741 CG LEU A 54 -10.128 7.157 0.360 1.00 0.00 C ATOM 742 CD1 LEU A 54 -11.374 6.451 -0.153 1.00 0.00 C ATOM 743 CD2 LEU A 54 -10.491 8.493 0.992 1.00 0.00 C ATOM 0 H LEU A 54 -7.780 5.487 -0.372 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.681 7.551 1.638 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -9.565 5.230 1.102 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -9.824 6.433 2.351 1.00 0.00 H new ATOM 0 HG LEU A 54 -9.468 7.346 -0.486 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -11.889 7.094 -0.867 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -11.089 5.520 -0.643 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -12.038 6.232 0.683 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -11.017 9.109 0.263 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -11.134 8.324 1.856 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -9.582 9.004 1.310 1.00 0.00 H new ATOM 755 N ALA A 55 -7.223 4.386 2.473 1.00 0.00 N ATOM 756 CA ALA A 55 -6.698 3.516 3.518 1.00 0.00 C ATOM 757 C ALA A 55 -5.838 2.404 2.927 1.00 0.00 C ATOM 758 O ALA A 55 -6.008 2.026 1.767 1.00 0.00 O ATOM 759 CB ALA A 55 -7.837 2.927 4.337 1.00 0.00 C ATOM 0 H ALA A 55 -7.506 3.900 1.622 1.00 0.00 H new ATOM 0 HA ALA A 55 -6.068 4.117 4.173 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -7.430 2.279 5.114 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.408 3.733 4.799 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.491 2.346 3.686 1.00 0.00 H new ATOM 765 N ILE A 56 -4.916 1.885 3.730 1.00 0.00 N ATOM 766 CA ILE A 56 -4.031 0.816 3.285 1.00 0.00 C ATOM 767 C ILE A 56 -4.191 -0.428 4.153 1.00 0.00 C ATOM 768 O ILE A 56 -4.203 -0.343 5.381 1.00 0.00 O ATOM 769 CB ILE A 56 -2.556 1.258 3.310 1.00 0.00 C ATOM 770 CG1 ILE A 56 -2.351 2.474 2.404 1.00 0.00 C ATOM 771 CG2 ILE A 56 -1.652 0.113 2.881 1.00 0.00 C ATOM 772 CD1 ILE A 56 -1.087 3.248 2.709 1.00 0.00 C ATOM 0 H ILE A 56 -4.762 2.187 4.692 1.00 0.00 H new ATOM 0 HA ILE A 56 -4.314 0.580 2.259 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.293 1.539 4.330 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.323 2.143 1.366 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.208 3.140 2.503 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -0.613 0.442 2.904 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.782 -0.728 3.562 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.912 -0.197 1.869 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.006 4.096 2.029 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.121 3.609 3.737 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.222 2.597 2.581 1.00 0.00 H new ATOM 784 N ASP A 57 -4.313 -1.582 3.506 1.00 0.00 N ATOM 785 CA ASP A 57 -4.469 -2.845 4.219 1.00 0.00 C ATOM 786 C ASP A 57 -5.408 -2.683 5.410 1.00 0.00 C ATOM 787 O ASP A 57 -5.238 -3.334 6.441 1.00 0.00 O ATOM 788 CB ASP A 57 -3.109 -3.360 4.692 1.00 0.00 C ATOM 789 CG ASP A 57 -2.274 -3.917 3.556 1.00 0.00 C ATOM 790 OD1 ASP A 57 -2.507 -5.080 3.164 1.00 0.00 O ATOM 791 OD2 ASP A 57 -1.388 -3.191 3.059 1.00 0.00 O ATOM 0 H ASP A 57 -4.307 -1.669 2.490 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.904 -3.571 3.532 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.565 -2.549 5.175 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.259 -4.135 5.443 1.00 0.00 H new ATOM 796 N GLY A 58 -6.400 -1.810 5.262 1.00 0.00 N ATOM 797 CA GLY A 58 -7.351 -1.578 6.334 1.00 0.00 C ATOM 798 C GLY A 58 -6.842 -0.579 7.353 1.00 0.00 C ATOM 799 O GLY A 58 -7.062 -0.739 8.554 1.00 0.00 O ATOM 0 H GLY A 58 -6.562 -1.259 4.419 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.289 -1.216 5.912 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -7.569 -2.522 6.833 1.00 0.00 H new ATOM 803 N PHE A 59 -6.158 0.456 6.875 1.00 0.00 N ATOM 804 CA PHE A 59 -5.614 1.484 7.754 1.00 0.00 C ATOM 805 C PHE A 59 -5.637 2.850 7.073 1.00 0.00 C ATOM 806 O PHE A 59 -4.826 3.130 6.192 1.00 0.00 O ATOM 807 CB PHE A 59 -4.183 1.130 8.164 1.00 0.00 C ATOM 808 CG PHE A 59 -4.109 0.178 9.323 1.00 0.00 C ATOM 809 CD1 PHE A 59 -4.307 -1.180 9.136 1.00 0.00 C ATOM 810 CD2 PHE A 59 -3.842 0.642 10.601 1.00 0.00 C ATOM 811 CE1 PHE A 59 -4.240 -2.059 10.200 1.00 0.00 C ATOM 812 CE2 PHE A 59 -3.773 -0.232 11.670 1.00 0.00 C ATOM 813 CZ PHE A 59 -3.973 -1.583 11.469 1.00 0.00 C ATOM 0 H PHE A 59 -5.968 0.604 5.884 1.00 0.00 H new ATOM 0 HA PHE A 59 -6.239 1.532 8.646 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.667 0.691 7.310 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -3.651 2.046 8.422 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.516 -1.557 8.146 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.686 1.698 10.764 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -4.396 -3.116 10.040 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.563 0.142 12.661 1.00 0.00 H new ATOM 0 HZ PHE A 59 -3.921 -2.267 12.303 1.00 0.00 H new ATOM 823 N GLY A 60 -6.575 3.696 7.489 1.00 0.00 N ATOM 824 CA GLY A 60 -6.688 5.021 6.909 1.00 0.00 C ATOM 825 C GLY A 60 -5.371 5.771 6.916 1.00 0.00 C ATOM 826 O GLY A 60 -4.567 5.622 7.837 1.00 0.00 O ATOM 0 H GLY A 60 -7.258 3.487 8.217 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.049 4.936 5.884 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -7.432 5.594 7.462 1.00 0.00 H new ATOM 830 N THR A 61 -5.146 6.580 5.885 1.00 0.00 N ATOM 831 CA THR A 61 -3.916 7.354 5.774 1.00 0.00 C ATOM 832 C THR A 61 -4.081 8.740 6.386 1.00 0.00 C ATOM 833 O THR A 61 -3.629 9.735 5.822 1.00 0.00 O ATOM 834 CB THR A 61 -3.477 7.503 4.305 1.00 0.00 C ATOM 835 OG1 THR A 61 -4.415 8.319 3.594 1.00 0.00 O ATOM 836 CG2 THR A 61 -3.368 6.144 3.631 1.00 0.00 C ATOM 0 H THR A 61 -5.800 6.716 5.115 1.00 0.00 H new ATOM 0 HA THR A 61 -3.148 6.807 6.322 1.00 0.00 H new ATOM 0 HB THR A 61 -2.496 7.978 4.289 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.639 7.892 2.741 1.00 0.00 H new ATOM 0 HG21 THR A 61 -3.057 6.276 2.595 1.00 0.00 H new ATOM 0 HG22 THR A 61 -2.632 5.535 4.156 1.00 0.00 H new ATOM 0 HG23 THR A 61 -4.337 5.646 3.658 1.00 0.00 H new ATOM 844 N GLU A 62 -4.732 8.796 7.544 1.00 0.00 N ATOM 845 CA GLU A 62 -4.956 10.062 8.233 1.00 0.00 C ATOM 846 C GLU A 62 -3.646 10.626 8.774 1.00 0.00 C ATOM 847 O GLU A 62 -3.414 11.835 8.732 1.00 0.00 O ATOM 848 CB GLU A 62 -5.955 9.875 9.377 1.00 0.00 C ATOM 849 CG GLU A 62 -5.453 8.959 10.480 1.00 0.00 C ATOM 850 CD GLU A 62 -6.553 8.540 11.436 1.00 0.00 C ATOM 851 OE1 GLU A 62 -7.415 7.733 11.031 1.00 0.00 O ATOM 852 OE2 GLU A 62 -6.552 9.020 12.589 1.00 0.00 O ATOM 0 H GLU A 62 -5.113 7.981 8.024 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.367 10.771 7.514 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -6.191 10.849 9.805 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -6.884 9.470 8.975 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.006 8.070 10.034 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.666 9.466 11.038 1.00 0.00 H new ATOM 859 N SER A 63 -2.793 9.743 9.282 1.00 0.00 N ATOM 860 CA SER A 63 -1.508 10.153 9.836 1.00 0.00 C ATOM 861 C SER A 63 -0.390 9.233 9.352 1.00 0.00 C ATOM 862 O SER A 63 0.617 9.050 10.036 1.00 0.00 O ATOM 863 CB SER A 63 -1.562 10.147 11.365 1.00 0.00 C ATOM 864 OG SER A 63 -1.795 8.841 11.862 1.00 0.00 O ATOM 0 H SER A 63 -2.968 8.739 9.322 1.00 0.00 H new ATOM 0 HA SER A 63 -1.298 11.165 9.491 1.00 0.00 H new ATOM 0 HB2 SER A 63 -0.624 10.530 11.767 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.352 10.816 11.707 1.00 0.00 H new ATOM 0 HG SER A 63 -1.823 8.864 12.841 1.00 0.00 H new ATOM 870 N MET A 64 -0.576 8.659 8.169 1.00 0.00 N ATOM 871 CA MET A 64 0.417 7.759 7.592 1.00 0.00 C ATOM 872 C MET A 64 1.176 8.442 6.459 1.00 0.00 C ATOM 873 O MET A 64 0.657 8.594 5.353 1.00 0.00 O ATOM 874 CB MET A 64 -0.256 6.486 7.076 1.00 0.00 C ATOM 875 CG MET A 64 0.528 5.787 5.977 1.00 0.00 C ATOM 876 SD MET A 64 0.261 4.004 5.961 1.00 0.00 S ATOM 877 CE MET A 64 -1.525 3.927 6.082 1.00 0.00 C ATOM 0 H MET A 64 -1.404 8.800 7.591 1.00 0.00 H new ATOM 0 HA MET A 64 1.128 7.494 8.374 1.00 0.00 H new ATOM 0 HB2 MET A 64 -0.395 5.795 7.908 1.00 0.00 H new ATOM 0 HB3 MET A 64 -1.248 6.736 6.701 1.00 0.00 H new ATOM 0 HG2 MET A 64 0.241 6.202 5.011 1.00 0.00 H new ATOM 0 HG3 MET A 64 1.591 5.990 6.108 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.915 3.281 5.296 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.807 3.525 7.055 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.941 4.928 5.969 1.00 0.00 H new ATOM 887 N THR A 65 2.409 8.852 6.741 1.00 0.00 N ATOM 888 CA THR A 65 3.239 9.520 5.746 1.00 0.00 C ATOM 889 C THR A 65 3.669 8.552 4.650 1.00 0.00 C ATOM 890 O THR A 65 3.519 7.337 4.787 1.00 0.00 O ATOM 891 CB THR A 65 4.493 10.143 6.388 1.00 0.00 C ATOM 892 OG1 THR A 65 5.465 9.125 6.651 1.00 0.00 O ATOM 893 CG2 THR A 65 4.140 10.861 7.682 1.00 0.00 C ATOM 0 H THR A 65 2.855 8.733 7.651 1.00 0.00 H new ATOM 0 HA THR A 65 2.633 10.313 5.308 1.00 0.00 H new ATOM 0 HB THR A 65 4.908 10.870 5.690 1.00 0.00 H new ATOM 0 HG1 THR A 65 5.150 8.552 7.381 1.00 0.00 H new ATOM 0 HG21 THR A 65 5.042 11.292 8.116 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.422 11.654 7.474 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.703 10.151 8.384 1.00 0.00 H new ATOM 901 N HIS A 66 4.207 9.097 3.564 1.00 0.00 N ATOM 902 CA HIS A 66 4.661 8.281 2.444 1.00 0.00 C ATOM 903 C HIS A 66 5.526 7.122 2.931 1.00 0.00 C ATOM 904 O HIS A 66 5.281 5.965 2.591 1.00 0.00 O ATOM 905 CB HIS A 66 5.446 9.135 1.448 1.00 0.00 C ATOM 906 CG HIS A 66 5.411 8.605 0.047 1.00 0.00 C ATOM 907 ND1 HIS A 66 4.239 8.392 -0.648 1.00 0.00 N ATOM 908 CD2 HIS A 66 6.413 8.248 -0.790 1.00 0.00 C ATOM 909 CE1 HIS A 66 4.522 7.924 -1.851 1.00 0.00 C ATOM 910 NE2 HIS A 66 5.835 7.828 -1.962 1.00 0.00 N ATOM 0 H HIS A 66 4.339 10.100 3.436 1.00 0.00 H new ATOM 0 HA HIS A 66 3.782 7.871 1.946 1.00 0.00 H new ATOM 0 HB2 HIS A 66 5.044 10.148 1.455 1.00 0.00 H new ATOM 0 HB3 HIS A 66 6.483 9.201 1.777 1.00 0.00 H new ATOM 0 HD2 HIS A 66 7.471 8.286 -0.576 1.00 0.00 H new ATOM 0 HE1 HIS A 66 3.803 7.664 -2.613 1.00 0.00 H new ATOM 0 HE2 HIS A 66 6.338 7.496 -2.785 1.00 0.00 H new ATOM 919 N ALA A 67 6.539 7.442 3.729 1.00 0.00 N ATOM 920 CA ALA A 67 7.440 6.429 4.265 1.00 0.00 C ATOM 921 C ALA A 67 6.672 5.372 5.050 1.00 0.00 C ATOM 922 O ALA A 67 6.978 4.182 4.973 1.00 0.00 O ATOM 923 CB ALA A 67 8.500 7.076 5.143 1.00 0.00 C ATOM 0 H ALA A 67 6.757 8.395 4.019 1.00 0.00 H new ATOM 0 HA ALA A 67 7.932 5.935 3.427 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.165 6.307 5.536 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.077 7.788 4.552 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.019 7.597 5.971 1.00 0.00 H new ATOM 929 N ASP A 68 5.673 5.813 5.807 1.00 0.00 N ATOM 930 CA ASP A 68 4.860 4.905 6.607 1.00 0.00 C ATOM 931 C ASP A 68 4.122 3.910 5.718 1.00 0.00 C ATOM 932 O ASP A 68 4.061 2.718 6.020 1.00 0.00 O ATOM 933 CB ASP A 68 3.859 5.693 7.453 1.00 0.00 C ATOM 934 CG ASP A 68 4.483 6.256 8.715 1.00 0.00 C ATOM 935 OD1 ASP A 68 5.574 6.857 8.620 1.00 0.00 O ATOM 936 OD2 ASP A 68 3.880 6.097 9.796 1.00 0.00 O ATOM 0 H ASP A 68 5.407 6.795 5.883 1.00 0.00 H new ATOM 0 HA ASP A 68 5.525 4.350 7.269 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.449 6.510 6.859 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.025 5.044 7.722 1.00 0.00 H new ATOM 941 N ALA A 69 3.562 4.407 4.620 1.00 0.00 N ATOM 942 CA ALA A 69 2.828 3.562 3.686 1.00 0.00 C ATOM 943 C ALA A 69 3.719 2.456 3.131 1.00 0.00 C ATOM 944 O ALA A 69 3.254 1.347 2.867 1.00 0.00 O ATOM 945 CB ALA A 69 2.256 4.401 2.553 1.00 0.00 C ATOM 0 H ALA A 69 3.603 5.391 4.355 1.00 0.00 H new ATOM 0 HA ALA A 69 2.006 3.093 4.227 1.00 0.00 H new ATOM 0 HB1 ALA A 69 1.710 3.757 1.863 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.579 5.151 2.962 1.00 0.00 H new ATOM 0 HB3 ALA A 69 3.068 4.897 2.021 1.00 0.00 H new ATOM 951 N GLN A 70 4.999 2.765 2.956 1.00 0.00 N ATOM 952 CA GLN A 70 5.954 1.796 2.431 1.00 0.00 C ATOM 953 C GLN A 70 6.102 0.609 3.377 1.00 0.00 C ATOM 954 O GLN A 70 6.267 -0.529 2.939 1.00 0.00 O ATOM 955 CB GLN A 70 7.315 2.459 2.208 1.00 0.00 C ATOM 956 CG GLN A 70 7.235 3.772 1.446 1.00 0.00 C ATOM 957 CD GLN A 70 7.347 3.583 -0.054 1.00 0.00 C ATOM 958 OE1 GLN A 70 7.391 2.456 -0.548 1.00 0.00 O ATOM 959 NE2 GLN A 70 7.394 4.689 -0.787 1.00 0.00 N ATOM 0 H GLN A 70 5.399 3.678 3.170 1.00 0.00 H new ATOM 0 HA GLN A 70 5.575 1.431 1.477 1.00 0.00 H new ATOM 0 HB2 GLN A 70 7.785 2.638 3.175 1.00 0.00 H new ATOM 0 HB3 GLN A 70 7.960 1.771 1.662 1.00 0.00 H new ATOM 0 HG2 GLN A 70 6.291 4.265 1.677 1.00 0.00 H new ATOM 0 HG3 GLN A 70 8.032 4.434 1.786 1.00 0.00 H new ATOM 0 HE21 GLN A 70 7.354 5.602 -0.335 1.00 0.00 H new ATOM 0 HE22 GLN A 70 7.470 4.625 -1.802 1.00 0.00 H new ATOM 968 N ASP A 71 6.041 0.883 4.676 1.00 0.00 N ATOM 969 CA ASP A 71 6.167 -0.162 5.684 1.00 0.00 C ATOM 970 C ASP A 71 4.893 -0.997 5.764 1.00 0.00 C ATOM 971 O ASP A 71 4.873 -2.059 6.387 1.00 0.00 O ATOM 972 CB ASP A 71 6.475 0.452 7.051 1.00 0.00 C ATOM 973 CG ASP A 71 7.299 -0.470 7.928 1.00 0.00 C ATOM 974 OD1 ASP A 71 8.538 -0.486 7.774 1.00 0.00 O ATOM 975 OD2 ASP A 71 6.704 -1.176 8.769 1.00 0.00 O ATOM 0 H ASP A 71 5.905 1.820 5.055 1.00 0.00 H new ATOM 0 HA ASP A 71 6.990 -0.815 5.393 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.011 1.391 6.912 1.00 0.00 H new ATOM 0 HB3 ASP A 71 5.540 0.691 7.558 1.00 0.00 H new ATOM 980 N ARG A 72 3.832 -0.510 5.130 1.00 0.00 N ATOM 981 CA ARG A 72 2.553 -1.210 5.131 1.00 0.00 C ATOM 982 C ARG A 72 2.413 -2.089 3.892 1.00 0.00 C ATOM 983 O ARG A 72 1.848 -3.181 3.954 1.00 0.00 O ATOM 984 CB ARG A 72 1.399 -0.207 5.191 1.00 0.00 C ATOM 985 CG ARG A 72 1.125 0.323 6.589 1.00 0.00 C ATOM 986 CD ARG A 72 0.113 -0.540 7.325 1.00 0.00 C ATOM 987 NE ARG A 72 0.072 -0.239 8.753 1.00 0.00 N ATOM 988 CZ ARG A 72 0.922 -0.751 9.637 1.00 0.00 C ATOM 989 NH1 ARG A 72 1.874 -1.584 9.240 1.00 0.00 N ATOM 990 NH2 ARG A 72 0.820 -0.429 10.920 1.00 0.00 N ATOM 0 H ARG A 72 3.832 0.367 4.609 1.00 0.00 H new ATOM 0 HA ARG A 72 2.517 -1.848 6.014 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.623 0.631 4.531 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.496 -0.682 4.808 1.00 0.00 H new ATOM 0 HG2 ARG A 72 2.056 0.357 7.155 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.754 1.346 6.525 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.876 -0.386 6.894 1.00 0.00 H new ATOM 0 HD3 ARG A 72 0.362 -1.592 7.183 1.00 0.00 H new ATOM 0 HE ARG A 72 -0.648 0.399 9.091 1.00 0.00 H new ATOM 0 HH11 ARG A 72 1.955 -1.833 8.254 1.00 0.00 H new ATOM 0 HH12 ARG A 72 2.525 -1.976 9.920 1.00 0.00 H new ATOM 0 HH21 ARG A 72 0.089 0.212 11.228 1.00 0.00 H new ATOM 0 HH22 ARG A 72 1.473 -0.822 11.598 1.00 0.00 H new ATOM 1004 N ILE A 73 2.931 -1.605 2.768 1.00 0.00 N ATOM 1005 CA ILE A 73 2.864 -2.346 1.515 1.00 0.00 C ATOM 1006 C ILE A 73 3.830 -3.526 1.523 1.00 0.00 C ATOM 1007 O ILE A 73 3.523 -4.598 1.000 1.00 0.00 O ATOM 1008 CB ILE A 73 3.183 -1.444 0.309 1.00 0.00 C ATOM 1009 CG1 ILE A 73 2.068 -0.417 0.103 1.00 0.00 C ATOM 1010 CG2 ILE A 73 3.376 -2.284 -0.945 1.00 0.00 C ATOM 1011 CD1 ILE A 73 2.538 0.864 -0.549 1.00 0.00 C ATOM 0 H ILE A 73 3.402 -0.703 2.700 1.00 0.00 H new ATOM 0 HA ILE A 73 1.843 -2.715 1.421 1.00 0.00 H new ATOM 0 HB ILE A 73 4.111 -0.909 0.510 1.00 0.00 H new ATOM 0 HG12 ILE A 73 1.285 -0.861 -0.511 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.620 -0.181 1.068 1.00 0.00 H new ATOM 0 HG21 ILE A 73 3.601 -1.632 -1.789 1.00 0.00 H new ATOM 0 HG22 ILE A 73 4.202 -2.979 -0.794 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.464 -2.844 -1.152 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.694 1.545 -0.663 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.300 1.332 0.075 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.959 0.640 -1.529 1.00 0.00 H new ATOM 1023 N LYS A 74 4.999 -3.323 2.120 1.00 0.00 N ATOM 1024 CA LYS A 74 6.011 -4.369 2.200 1.00 0.00 C ATOM 1025 C LYS A 74 5.636 -5.410 3.250 1.00 0.00 C ATOM 1026 O LYS A 74 5.918 -6.597 3.090 1.00 0.00 O ATOM 1027 CB LYS A 74 7.377 -3.764 2.532 1.00 0.00 C ATOM 1028 CG LYS A 74 7.483 -3.248 3.957 1.00 0.00 C ATOM 1029 CD LYS A 74 8.916 -2.892 4.315 1.00 0.00 C ATOM 1030 CE LYS A 74 9.308 -1.532 3.759 1.00 0.00 C ATOM 1031 NZ LYS A 74 10.649 -1.100 4.243 1.00 0.00 N ATOM 0 H LYS A 74 5.269 -2.442 2.556 1.00 0.00 H new ATOM 0 HA LYS A 74 6.065 -4.861 1.229 1.00 0.00 H new ATOM 0 HB2 LYS A 74 8.148 -4.517 2.369 1.00 0.00 H new ATOM 0 HB3 LYS A 74 7.580 -2.945 1.842 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.848 -2.370 4.075 1.00 0.00 H new ATOM 0 HG3 LYS A 74 7.112 -4.005 4.648 1.00 0.00 H new ATOM 0 HD2 LYS A 74 9.032 -2.890 5.399 1.00 0.00 H new ATOM 0 HD3 LYS A 74 9.590 -3.654 3.924 1.00 0.00 H new ATOM 0 HE2 LYS A 74 9.311 -1.572 2.670 1.00 0.00 H new ATOM 0 HE3 LYS A 74 8.562 -0.792 4.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 10.879 -0.169 3.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 10.640 -1.037 5.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 11.365 -1.792 3.945 1.00 0.00 H new ATOM 1045 N ALA A 75 4.997 -4.957 4.324 1.00 0.00 N ATOM 1046 CA ALA A 75 4.580 -5.849 5.398 1.00 0.00 C ATOM 1047 C ALA A 75 3.130 -6.285 5.218 1.00 0.00 C ATOM 1048 O ALA A 75 2.513 -6.818 6.140 1.00 0.00 O ATOM 1049 CB ALA A 75 4.766 -5.173 6.748 1.00 0.00 C ATOM 0 H ALA A 75 4.757 -3.977 4.473 1.00 0.00 H new ATOM 0 HA ALA A 75 5.207 -6.740 5.361 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.450 -5.851 7.541 1.00 0.00 H new ATOM 0 HB2 ALA A 75 5.817 -4.918 6.885 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.164 -4.265 6.786 1.00 0.00 H new ATOM 1055 N ALA A 76 2.591 -6.053 4.025 1.00 0.00 N ATOM 1056 CA ALA A 76 1.213 -6.424 3.725 1.00 0.00 C ATOM 1057 C ALA A 76 1.017 -7.933 3.822 1.00 0.00 C ATOM 1058 O ALA A 76 1.949 -8.670 4.141 1.00 0.00 O ATOM 1059 CB ALA A 76 0.824 -5.927 2.340 1.00 0.00 C ATOM 0 H ALA A 76 3.087 -5.610 3.251 1.00 0.00 H new ATOM 0 HA ALA A 76 0.566 -5.952 4.464 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.207 -6.210 2.128 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.917 -4.842 2.304 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.483 -6.373 1.595 1.00 0.00 H new ATOM 1065 N SER A 77 -0.203 -8.385 3.547 1.00 0.00 N ATOM 1066 CA SER A 77 -0.523 -9.806 3.608 1.00 0.00 C ATOM 1067 C SER A 77 -0.637 -10.398 2.206 1.00 0.00 C ATOM 1068 O SER A 77 -0.482 -9.694 1.208 1.00 0.00 O ATOM 1069 CB SER A 77 -1.829 -10.024 4.374 1.00 0.00 C ATOM 1070 OG SER A 77 -1.701 -9.618 5.725 1.00 0.00 O ATOM 0 H SER A 77 -0.985 -7.788 3.280 1.00 0.00 H new ATOM 0 HA SER A 77 0.286 -10.313 4.133 1.00 0.00 H new ATOM 0 HB2 SER A 77 -2.632 -9.463 3.897 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.107 -11.077 4.332 1.00 0.00 H new ATOM 0 HG SER A 77 -2.549 -9.766 6.193 1.00 0.00 H new ATOM 1076 N TYR A 78 -0.909 -11.697 2.140 1.00 0.00 N ATOM 1077 CA TYR A 78 -1.041 -12.385 0.862 1.00 0.00 C ATOM 1078 C TYR A 78 -1.837 -11.543 -0.131 1.00 0.00 C ATOM 1079 O TYR A 78 -1.707 -11.708 -1.344 1.00 0.00 O ATOM 1080 CB TYR A 78 -1.722 -13.741 1.057 1.00 0.00 C ATOM 1081 CG TYR A 78 -2.936 -13.685 1.957 1.00 0.00 C ATOM 1082 CD1 TYR A 78 -4.185 -13.345 1.452 1.00 0.00 C ATOM 1083 CD2 TYR A 78 -2.834 -13.972 3.313 1.00 0.00 C ATOM 1084 CE1 TYR A 78 -5.296 -13.292 2.271 1.00 0.00 C ATOM 1085 CE2 TYR A 78 -3.940 -13.923 4.139 1.00 0.00 C ATOM 1086 CZ TYR A 78 -5.169 -13.582 3.614 1.00 0.00 C ATOM 1087 OH TYR A 78 -6.273 -13.531 4.433 1.00 0.00 O ATOM 0 H TYR A 78 -1.042 -12.294 2.956 1.00 0.00 H new ATOM 0 HA TYR A 78 -0.041 -12.542 0.458 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -2.019 -14.132 0.084 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -1.001 -14.443 1.476 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -4.289 -13.118 0.401 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -1.873 -14.238 3.728 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -6.259 -13.025 1.862 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -3.843 -14.150 5.190 1.00 0.00 H new ATOM 0 HH TYR A 78 -6.012 -13.764 5.349 1.00 0.00 H new ATOM 1097 N GLN A 79 -2.658 -10.640 0.394 1.00 0.00 N ATOM 1098 CA GLN A 79 -3.475 -9.771 -0.445 1.00 0.00 C ATOM 1099 C GLN A 79 -3.505 -8.350 0.109 1.00 0.00 C ATOM 1100 O GLN A 79 -3.729 -8.143 1.302 1.00 0.00 O ATOM 1101 CB GLN A 79 -4.899 -10.320 -0.551 1.00 0.00 C ATOM 1102 CG GLN A 79 -5.634 -10.363 0.778 1.00 0.00 C ATOM 1103 CD GLN A 79 -7.099 -10.724 0.624 1.00 0.00 C ATOM 1104 OE1 GLN A 79 -7.436 -11.814 0.160 1.00 0.00 O ATOM 1105 NE2 GLN A 79 -7.978 -9.808 1.012 1.00 0.00 N ATOM 0 H GLN A 79 -2.775 -10.491 1.396 1.00 0.00 H new ATOM 0 HA GLN A 79 -3.029 -9.744 -1.439 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -5.466 -9.705 -1.250 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -4.862 -11.326 -0.969 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -5.152 -11.089 1.432 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -5.552 -9.391 1.265 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -7.654 -8.918 1.391 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -8.978 -9.994 0.931 1.00 0.00 H new ATOM 1114 N LEU A 80 -3.277 -7.376 -0.765 1.00 0.00 N ATOM 1115 CA LEU A 80 -3.278 -5.973 -0.363 1.00 0.00 C ATOM 1116 C LEU A 80 -4.662 -5.357 -0.538 1.00 0.00 C ATOM 1117 O LEU A 80 -5.315 -5.555 -1.564 1.00 0.00 O ATOM 1118 CB LEU A 80 -2.250 -5.188 -1.180 1.00 0.00 C ATOM 1119 CG LEU A 80 -2.279 -3.668 -1.012 1.00 0.00 C ATOM 1120 CD1 LEU A 80 -2.003 -3.285 0.434 1.00 0.00 C ATOM 1121 CD2 LEU A 80 -1.271 -3.010 -1.942 1.00 0.00 C ATOM 0 H LEU A 80 -3.089 -7.531 -1.755 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.010 -5.922 0.692 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.255 -5.544 -0.913 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.400 -5.420 -2.234 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.274 -3.311 -1.277 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.028 -2.200 0.534 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.763 -3.726 1.079 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.020 -3.654 0.727 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.305 -1.929 -1.809 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.270 -3.373 -1.709 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.515 -3.256 -2.975 1.00 0.00 H new ATOM 1133 N CYS A 81 -5.103 -4.609 0.467 1.00 0.00 N ATOM 1134 CA CYS A 81 -6.409 -3.962 0.423 1.00 0.00 C ATOM 1135 C CYS A 81 -6.266 -2.444 0.464 1.00 0.00 C ATOM 1136 O CYS A 81 -5.798 -1.880 1.455 1.00 0.00 O ATOM 1137 CB CYS A 81 -7.276 -4.437 1.591 1.00 0.00 C ATOM 1138 SG CYS A 81 -9.040 -4.099 1.386 1.00 0.00 S ATOM 0 H CYS A 81 -4.575 -4.436 1.322 1.00 0.00 H new ATOM 0 HA CYS A 81 -6.892 -4.238 -0.514 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -7.135 -5.510 1.721 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -6.929 -3.957 2.506 1.00 0.00 H new ATOM 0 HG CYS A 81 -9.689 -4.539 2.423 1.00 0.00 H new ATOM 1144 N LEU A 82 -6.670 -1.788 -0.618 1.00 0.00 N ATOM 1145 CA LEU A 82 -6.586 -0.334 -0.706 1.00 0.00 C ATOM 1146 C LEU A 82 -7.918 0.263 -1.150 1.00 0.00 C ATOM 1147 O LEU A 82 -8.479 -0.133 -2.171 1.00 0.00 O ATOM 1148 CB LEU A 82 -5.481 0.074 -1.683 1.00 0.00 C ATOM 1149 CG LEU A 82 -4.092 -0.502 -1.403 1.00 0.00 C ATOM 1150 CD1 LEU A 82 -3.298 -0.630 -2.694 1.00 0.00 C ATOM 1151 CD2 LEU A 82 -3.347 0.367 -0.400 1.00 0.00 C ATOM 0 H LEU A 82 -7.059 -2.239 -1.446 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.348 0.052 0.285 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.782 -0.227 -2.687 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.408 1.162 -1.684 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.211 -1.497 -0.974 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.312 -1.041 -2.476 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.824 -1.293 -3.381 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.188 0.353 -3.152 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.361 -0.058 -0.213 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.238 1.374 -0.802 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -3.908 0.408 0.534 1.00 0.00 H new ATOM 1163 N LYS A 83 -8.418 1.220 -0.375 1.00 0.00 N ATOM 1164 CA LYS A 83 -9.682 1.875 -0.689 1.00 0.00 C ATOM 1165 C LYS A 83 -9.445 3.209 -1.389 1.00 0.00 C ATOM 1166 O LYS A 83 -8.680 4.046 -0.908 1.00 0.00 O ATOM 1167 CB LYS A 83 -10.497 2.095 0.588 1.00 0.00 C ATOM 1168 CG LYS A 83 -11.809 2.824 0.355 1.00 0.00 C ATOM 1169 CD LYS A 83 -12.211 3.649 1.566 1.00 0.00 C ATOM 1170 CE LYS A 83 -13.019 2.826 2.557 1.00 0.00 C ATOM 1171 NZ LYS A 83 -12.155 1.911 3.353 1.00 0.00 N ATOM 0 H LYS A 83 -7.967 1.559 0.475 1.00 0.00 H new ATOM 0 HA LYS A 83 -10.241 1.226 -1.363 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -10.705 1.129 1.047 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -9.897 2.663 1.299 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -11.715 3.474 -0.515 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -12.593 2.101 0.130 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -11.318 4.037 2.056 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -12.797 4.510 1.243 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -13.557 3.494 3.230 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -13.767 2.243 2.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -12.635 1.667 4.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -11.974 1.044 2.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -11.252 2.382 3.564 1.00 0.00 H new ATOM 1185 N ILE A 84 -10.105 3.401 -2.526 1.00 0.00 N ATOM 1186 CA ILE A 84 -9.967 4.635 -3.290 1.00 0.00 C ATOM 1187 C ILE A 84 -11.280 5.410 -3.325 1.00 0.00 C ATOM 1188 O ILE A 84 -12.358 4.831 -3.187 1.00 0.00 O ATOM 1189 CB ILE A 84 -9.511 4.355 -4.734 1.00 0.00 C ATOM 1190 CG1 ILE A 84 -10.321 3.204 -5.334 1.00 0.00 C ATOM 1191 CG2 ILE A 84 -8.023 4.035 -4.767 1.00 0.00 C ATOM 1192 CD1 ILE A 84 -10.418 3.256 -6.843 1.00 0.00 C ATOM 0 H ILE A 84 -10.740 2.718 -2.939 1.00 0.00 H new ATOM 0 HA ILE A 84 -9.208 5.234 -2.787 1.00 0.00 H new ATOM 0 HB ILE A 84 -9.685 5.249 -5.334 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -9.866 2.258 -5.040 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -11.326 3.219 -4.913 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -7.716 3.839 -5.794 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -7.460 4.882 -4.375 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -7.827 3.154 -4.156 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -11.006 2.410 -7.199 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -10.900 4.186 -7.145 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -9.418 3.210 -7.274 1.00 0.00 H new ATOM 1204 N ASP A 85 -11.182 6.721 -3.513 1.00 0.00 N ATOM 1205 CA ASP A 85 -12.362 7.576 -3.570 1.00 0.00 C ATOM 1206 C ASP A 85 -13.065 7.443 -4.917 1.00 0.00 C ATOM 1207 O ASP A 85 -14.275 7.646 -5.019 1.00 0.00 O ATOM 1208 CB ASP A 85 -11.973 9.035 -3.325 1.00 0.00 C ATOM 1209 CG ASP A 85 -13.096 9.997 -3.660 1.00 0.00 C ATOM 1210 OD1 ASP A 85 -13.572 9.975 -4.815 1.00 0.00 O ATOM 1211 OD2 ASP A 85 -13.500 10.771 -2.768 1.00 0.00 O ATOM 0 H ASP A 85 -10.297 7.215 -3.629 1.00 0.00 H new ATOM 0 HA ASP A 85 -13.051 7.256 -2.788 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.689 9.162 -2.280 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.097 9.280 -3.925 1.00 0.00 H new ATOM 1216 N ARG A 86 -12.299 7.101 -5.948 1.00 0.00 N ATOM 1217 CA ARG A 86 -12.848 6.943 -7.289 1.00 0.00 C ATOM 1218 C ARG A 86 -13.402 8.267 -7.809 1.00 0.00 C ATOM 1219 O ARG A 86 -14.504 8.318 -8.354 1.00 0.00 O ATOM 1220 CB ARG A 86 -13.949 5.881 -7.290 1.00 0.00 C ATOM 1221 CG ARG A 86 -14.086 5.148 -8.615 1.00 0.00 C ATOM 1222 CD ARG A 86 -15.376 4.346 -8.677 1.00 0.00 C ATOM 1223 NE ARG A 86 -15.266 3.076 -7.964 1.00 0.00 N ATOM 1224 CZ ARG A 86 -16.307 2.303 -7.675 1.00 0.00 C ATOM 1225 NH1 ARG A 86 -17.529 2.669 -8.036 1.00 0.00 N ATOM 1226 NH2 ARG A 86 -16.126 1.161 -7.023 1.00 0.00 N ATOM 0 H ARG A 86 -11.296 6.928 -5.880 1.00 0.00 H new ATOM 0 HA ARG A 86 -12.042 6.622 -7.949 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -13.744 5.156 -6.503 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -14.900 6.355 -7.046 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -14.064 5.867 -9.434 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -13.235 4.481 -8.753 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -16.189 4.933 -8.249 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -15.635 4.156 -9.719 1.00 0.00 H new ATOM 0 HE ARG A 86 -14.339 2.766 -7.672 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -17.672 3.546 -8.537 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -18.327 2.074 -7.813 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -15.187 0.877 -6.744 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -16.926 0.568 -6.801 1.00 0.00 H new ATOM 1240 N ALA A 87 -12.630 9.335 -7.635 1.00 0.00 N ATOM 1241 CA ALA A 87 -13.043 10.657 -8.088 1.00 0.00 C ATOM 1242 C ALA A 87 -12.373 11.019 -9.409 1.00 0.00 C ATOM 1243 O ALA A 87 -11.177 11.306 -9.450 1.00 0.00 O ATOM 1244 CB ALA A 87 -12.723 11.701 -7.028 1.00 0.00 C ATOM 0 H ALA A 87 -11.716 9.310 -7.184 1.00 0.00 H new ATOM 0 HA ALA A 87 -14.121 10.638 -8.251 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -13.037 12.684 -7.379 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -13.253 11.459 -6.107 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -11.650 11.709 -6.838 1.00 0.00 H new ATOM 1250 N GLU A 88 -13.151 11.003 -10.487 1.00 0.00 N ATOM 1251 CA GLU A 88 -12.631 11.328 -11.809 1.00 0.00 C ATOM 1252 C GLU A 88 -12.033 12.732 -11.829 1.00 0.00 C ATOM 1253 O GLU A 88 -11.027 12.982 -12.494 1.00 0.00 O ATOM 1254 CB GLU A 88 -13.740 11.220 -12.859 1.00 0.00 C ATOM 1255 CG GLU A 88 -14.969 12.052 -12.534 1.00 0.00 C ATOM 1256 CD GLU A 88 -16.087 11.859 -13.540 1.00 0.00 C ATOM 1257 OE1 GLU A 88 -16.172 10.762 -14.130 1.00 0.00 O ATOM 1258 OE2 GLU A 88 -16.877 12.806 -13.736 1.00 0.00 O ATOM 0 H GLU A 88 -14.144 10.768 -10.470 1.00 0.00 H new ATOM 0 HA GLU A 88 -11.844 10.613 -12.047 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -13.345 11.533 -13.826 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -14.035 10.175 -12.958 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -15.330 11.787 -11.540 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -14.692 13.106 -12.502 1.00 0.00 H new ATOM 1265 N THR A 89 -12.659 13.646 -11.094 1.00 0.00 N ATOM 1266 CA THR A 89 -12.191 15.024 -11.027 1.00 0.00 C ATOM 1267 C THR A 89 -11.341 15.257 -9.783 1.00 0.00 C ATOM 1268 O THR A 89 -11.099 16.398 -9.390 1.00 0.00 O ATOM 1269 CB THR A 89 -13.368 16.018 -11.024 1.00 0.00 C ATOM 1270 OG1 THR A 89 -14.518 15.413 -10.422 1.00 0.00 O ATOM 1271 CG2 THR A 89 -13.705 16.462 -12.440 1.00 0.00 C ATOM 0 H THR A 89 -13.492 13.456 -10.537 1.00 0.00 H new ATOM 0 HA THR A 89 -11.583 15.194 -11.916 1.00 0.00 H new ATOM 0 HB THR A 89 -13.074 16.894 -10.446 1.00 0.00 H new ATOM 0 HG1 THR A 89 -15.261 16.052 -10.422 1.00 0.00 H new ATOM 0 HG21 THR A 89 -14.539 17.163 -12.413 1.00 0.00 H new ATOM 0 HG22 THR A 89 -12.837 16.948 -12.885 1.00 0.00 H new ATOM 0 HG23 THR A 89 -13.981 15.593 -13.038 1.00 0.00 H new ATOM 1279 N ARG A 90 -10.892 14.168 -9.167 1.00 0.00 N ATOM 1280 CA ARG A 90 -10.069 14.254 -7.967 1.00 0.00 C ATOM 1281 C ARG A 90 -9.067 15.400 -8.076 1.00 0.00 C ATOM 1282 O ARG A 90 -8.615 15.942 -7.066 1.00 0.00 O ATOM 1283 CB ARG A 90 -9.330 12.936 -7.734 1.00 0.00 C ATOM 1284 CG ARG A 90 -8.500 12.484 -8.925 1.00 0.00 C ATOM 1285 CD ARG A 90 -7.594 11.317 -8.562 1.00 0.00 C ATOM 1286 NE ARG A 90 -7.319 10.460 -9.712 1.00 0.00 N ATOM 1287 CZ ARG A 90 -8.192 9.591 -10.207 1.00 0.00 C ATOM 1288 NH1 ARG A 90 -9.391 9.464 -9.655 1.00 0.00 N ATOM 1289 NH2 ARG A 90 -7.867 8.846 -11.256 1.00 0.00 N ATOM 0 H ARG A 90 -11.084 13.216 -9.479 1.00 0.00 H new ATOM 0 HA ARG A 90 -10.726 14.448 -7.119 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -8.678 13.043 -6.867 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -10.056 12.160 -7.492 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -9.161 12.193 -9.741 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -7.896 13.316 -9.286 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -6.655 11.698 -8.161 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -8.061 10.727 -7.774 1.00 0.00 H new ATOM 0 HE ARG A 90 -6.405 10.533 -10.160 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -9.644 10.035 -8.848 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -10.060 8.796 -10.037 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -6.945 8.941 -11.683 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.539 8.179 -11.635 1.00 0.00 H new ATOM 1303 N LEU A 91 -8.723 15.763 -9.306 1.00 0.00 N ATOM 1304 CA LEU A 91 -7.773 16.843 -9.548 1.00 0.00 C ATOM 1305 C LEU A 91 -7.917 17.940 -8.497 1.00 0.00 C ATOM 1306 O LEU A 91 -6.924 18.442 -7.971 1.00 0.00 O ATOM 1307 CB LEU A 91 -7.982 17.430 -10.945 1.00 0.00 C ATOM 1308 CG LEU A 91 -6.760 18.089 -11.586 1.00 0.00 C ATOM 1309 CD1 LEU A 91 -6.870 18.057 -13.103 1.00 0.00 C ATOM 1310 CD2 LEU A 91 -6.606 19.520 -11.091 1.00 0.00 C ATOM 0 H LEU A 91 -9.088 15.325 -10.152 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.767 16.430 -9.481 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -8.328 16.634 -11.604 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.782 18.169 -10.891 1.00 0.00 H new ATOM 0 HG LEU A 91 -5.873 17.527 -11.295 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -5.992 18.530 -13.542 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.932 17.023 -13.442 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.765 18.595 -13.414 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.732 19.974 -11.557 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -7.495 20.093 -11.353 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -6.481 19.519 -10.008 1.00 0.00 H new ATOM 1322 N TRP A 92 -9.158 18.304 -8.196 1.00 0.00 N ATOM 1323 CA TRP A 92 -9.431 19.339 -7.206 1.00 0.00 C ATOM 1324 C TRP A 92 -10.513 18.888 -6.231 1.00 0.00 C ATOM 1325 O TRP A 92 -11.642 19.377 -6.273 1.00 0.00 O ATOM 1326 CB TRP A 92 -9.859 20.635 -7.898 1.00 0.00 C ATOM 1327 CG TRP A 92 -9.483 21.868 -7.135 1.00 0.00 C ATOM 1328 CD1 TRP A 92 -9.589 22.062 -5.787 1.00 0.00 C ATOM 1329 CD2 TRP A 92 -8.942 23.079 -7.675 1.00 0.00 C ATOM 1330 NE1 TRP A 92 -9.146 23.321 -5.457 1.00 0.00 N ATOM 1331 CE2 TRP A 92 -8.743 23.964 -6.597 1.00 0.00 C ATOM 1332 CE3 TRP A 92 -8.604 23.501 -8.963 1.00 0.00 C ATOM 1333 CZ2 TRP A 92 -8.223 25.244 -6.771 1.00 0.00 C ATOM 1334 CZ3 TRP A 92 -8.088 24.771 -9.135 1.00 0.00 C ATOM 1335 CH2 TRP A 92 -7.901 25.631 -8.044 1.00 0.00 C ATOM 0 H TRP A 92 -9.991 17.898 -8.623 1.00 0.00 H new ATOM 0 HA TRP A 92 -8.515 19.520 -6.644 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -9.405 20.677 -8.888 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -10.939 20.621 -8.043 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -9.965 21.334 -5.084 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -9.121 23.713 -4.516 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -8.744 22.846 -9.810 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -8.079 25.908 -5.931 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -7.824 25.107 -10.127 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -7.495 26.618 -8.211 1.00 0.00 H new ATOM 1346 N SER A 93 -10.161 17.954 -5.354 1.00 0.00 N ATOM 1347 CA SER A 93 -11.104 17.434 -4.371 1.00 0.00 C ATOM 1348 C SER A 93 -10.503 17.473 -2.969 1.00 0.00 C ATOM 1349 O SER A 93 -9.764 16.578 -2.558 1.00 0.00 O ATOM 1350 CB SER A 93 -11.506 16.001 -4.726 1.00 0.00 C ATOM 1351 OG SER A 93 -12.131 15.948 -5.997 1.00 0.00 O ATOM 0 H SER A 93 -9.229 17.542 -5.304 1.00 0.00 H new ATOM 0 HA SER A 93 -11.992 18.067 -4.385 1.00 0.00 H new ATOM 0 HB2 SER A 93 -10.624 15.361 -4.724 1.00 0.00 H new ATOM 0 HB3 SER A 93 -12.184 15.611 -3.967 1.00 0.00 H new ATOM 0 HG SER A 93 -12.505 15.053 -6.141 1.00 0.00 H new ATOM 1357 N PRO A 94 -10.827 18.535 -2.216 1.00 0.00 N ATOM 1358 CA PRO A 94 -10.331 18.717 -0.849 1.00 0.00 C ATOM 1359 C PRO A 94 -10.940 17.716 0.127 1.00 0.00 C ATOM 1360 O PRO A 94 -10.395 17.475 1.203 1.00 0.00 O ATOM 1361 CB PRO A 94 -10.770 20.141 -0.499 1.00 0.00 C ATOM 1362 CG PRO A 94 -11.953 20.396 -1.367 1.00 0.00 C ATOM 1363 CD PRO A 94 -11.702 19.639 -2.642 1.00 0.00 C ATOM 0 HA PRO A 94 -9.255 18.560 -0.782 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -11.027 20.228 0.557 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -9.974 20.860 -0.693 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -12.870 20.057 -0.886 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -12.071 21.462 -1.563 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -12.630 19.271 -3.080 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -11.222 20.266 -3.393 1.00 0.00 H new ATOM 1371 N GLN A 95 -12.073 17.137 -0.258 1.00 0.00 N ATOM 1372 CA GLN A 95 -12.756 16.162 0.585 1.00 0.00 C ATOM 1373 C GLN A 95 -12.433 14.739 0.142 1.00 0.00 C ATOM 1374 O GLN A 95 -12.251 14.474 -1.047 1.00 0.00 O ATOM 1375 CB GLN A 95 -14.268 16.391 0.544 1.00 0.00 C ATOM 1376 CG GLN A 95 -14.905 16.009 -0.782 1.00 0.00 C ATOM 1377 CD GLN A 95 -16.416 15.910 -0.696 1.00 0.00 C ATOM 1378 OE1 GLN A 95 -17.037 16.482 0.200 1.00 0.00 O ATOM 1379 NE2 GLN A 95 -17.015 15.180 -1.630 1.00 0.00 N ATOM 0 H GLN A 95 -12.537 17.326 -1.147 1.00 0.00 H new ATOM 0 HA GLN A 95 -12.404 16.293 1.608 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -14.736 15.815 1.342 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -14.474 17.442 0.747 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -14.635 16.748 -1.537 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -14.500 15.053 -1.113 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -16.460 14.723 -2.354 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -18.030 15.076 -1.623 1.00 0.00 H new ATOM 1388 N VAL A 96 -12.364 13.826 1.105 1.00 0.00 N ATOM 1389 CA VAL A 96 -12.064 12.429 0.815 1.00 0.00 C ATOM 1390 C VAL A 96 -13.239 11.527 1.177 1.00 0.00 C ATOM 1391 O VAL A 96 -14.064 11.875 2.022 1.00 0.00 O ATOM 1392 CB VAL A 96 -10.813 11.953 1.576 1.00 0.00 C ATOM 1393 CG1 VAL A 96 -9.567 12.643 1.041 1.00 0.00 C ATOM 1394 CG2 VAL A 96 -10.971 12.202 3.069 1.00 0.00 C ATOM 0 H VAL A 96 -12.512 14.029 2.094 1.00 0.00 H new ATOM 0 HA VAL A 96 -11.875 12.363 -0.257 1.00 0.00 H new ATOM 0 HB VAL A 96 -10.700 10.880 1.419 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -8.693 12.294 1.591 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -9.447 12.409 -0.017 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -9.667 13.721 1.165 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -10.078 11.860 3.592 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -11.109 13.268 3.247 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -11.839 11.657 3.439 1.00 0.00 H new ATOM 1404 N SER A 97 -13.309 10.367 0.532 1.00 0.00 N ATOM 1405 CA SER A 97 -14.385 9.416 0.783 1.00 0.00 C ATOM 1406 C SER A 97 -14.205 8.737 2.137 1.00 0.00 C ATOM 1407 O SER A 97 -13.715 7.610 2.219 1.00 0.00 O ATOM 1408 CB SER A 97 -14.434 8.363 -0.326 1.00 0.00 C ATOM 1409 OG SER A 97 -14.957 8.909 -1.524 1.00 0.00 O ATOM 0 H SER A 97 -12.633 10.063 -0.169 1.00 0.00 H new ATOM 0 HA SER A 97 -15.326 9.965 0.794 1.00 0.00 H new ATOM 0 HB2 SER A 97 -13.432 7.974 -0.507 1.00 0.00 H new ATOM 0 HB3 SER A 97 -15.050 7.522 -0.007 1.00 0.00 H new ATOM 0 HG SER A 97 -15.698 8.352 -1.841 1.00 0.00 H new ATOM 1415 N SER A 98 -14.604 9.431 3.198 1.00 0.00 N ATOM 1416 CA SER A 98 -14.483 8.898 4.550 1.00 0.00 C ATOM 1417 C SER A 98 -15.217 7.567 4.677 1.00 0.00 C ATOM 1418 O SER A 98 -16.312 7.396 4.143 1.00 0.00 O ATOM 1419 CB SER A 98 -15.037 9.898 5.567 1.00 0.00 C ATOM 1420 OG SER A 98 -14.271 11.090 5.579 1.00 0.00 O ATOM 0 H SER A 98 -15.014 10.364 3.148 1.00 0.00 H new ATOM 0 HA SER A 98 -13.425 8.731 4.755 1.00 0.00 H new ATOM 0 HB2 SER A 98 -16.074 10.131 5.325 1.00 0.00 H new ATOM 0 HB3 SER A 98 -15.034 9.450 6.561 1.00 0.00 H new ATOM 0 HG SER A 98 -14.646 11.713 6.236 1.00 0.00 H new ATOM 1426 N GLY A 99 -14.605 6.625 5.389 1.00 0.00 N ATOM 1427 CA GLY A 99 -15.214 5.321 5.573 1.00 0.00 C ATOM 1428 C GLY A 99 -15.410 4.974 7.036 1.00 0.00 C ATOM 1429 O GLY A 99 -15.713 5.833 7.865 1.00 0.00 O ATOM 0 H GLY A 99 -13.698 6.742 5.841 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -16.178 5.299 5.065 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -14.589 4.562 5.103 1.00 0.00 H new ATOM 1433 N PRO A 100 -15.236 3.687 7.371 1.00 0.00 N ATOM 1434 CA PRO A 100 -15.392 3.199 8.745 1.00 0.00 C ATOM 1435 C PRO A 100 -14.279 3.691 9.664 1.00 0.00 C ATOM 1436 O PRO A 100 -13.157 3.186 9.621 1.00 0.00 O ATOM 1437 CB PRO A 100 -15.325 1.678 8.590 1.00 0.00 C ATOM 1438 CG PRO A 100 -14.541 1.458 7.343 1.00 0.00 C ATOM 1439 CD PRO A 100 -14.874 2.610 6.436 1.00 0.00 C ATOM 0 HA PRO A 100 -16.316 3.554 9.202 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -14.841 1.214 9.449 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -16.322 1.244 8.513 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -13.472 1.424 7.555 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -14.804 0.507 6.879 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -14.025 2.888 5.812 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -15.697 2.367 5.764 1.00 0.00 H new ATOM 1447 N SER A 101 -14.597 4.678 10.496 1.00 0.00 N ATOM 1448 CA SER A 101 -13.622 5.239 11.424 1.00 0.00 C ATOM 1449 C SER A 101 -13.682 4.526 12.771 1.00 0.00 C ATOM 1450 O SER A 101 -14.731 4.472 13.412 1.00 0.00 O ATOM 1451 CB SER A 101 -13.872 6.737 11.615 1.00 0.00 C ATOM 1452 OG SER A 101 -15.031 6.964 12.398 1.00 0.00 O ATOM 0 H SER A 101 -15.522 5.105 10.546 1.00 0.00 H new ATOM 0 HA SER A 101 -12.628 5.095 11.000 1.00 0.00 H new ATOM 0 HB2 SER A 101 -13.008 7.195 12.097 1.00 0.00 H new ATOM 0 HB3 SER A 101 -13.986 7.217 10.643 1.00 0.00 H new ATOM 0 HG SER A 101 -15.285 6.135 12.854 1.00 0.00 H new ATOM 1458 N SER A 102 -12.546 3.981 13.196 1.00 0.00 N ATOM 1459 CA SER A 102 -12.468 3.268 14.465 1.00 0.00 C ATOM 1460 C SER A 102 -12.185 4.231 15.613 1.00 0.00 C ATOM 1461 O SER A 102 -11.036 4.589 15.869 1.00 0.00 O ATOM 1462 CB SER A 102 -11.380 2.194 14.405 1.00 0.00 C ATOM 1463 OG SER A 102 -10.139 2.747 14.001 1.00 0.00 O ATOM 0 H SER A 102 -11.667 4.020 12.680 1.00 0.00 H new ATOM 0 HA SER A 102 -13.431 2.790 14.644 1.00 0.00 H new ATOM 0 HB2 SER A 102 -11.272 1.726 15.384 1.00 0.00 H new ATOM 0 HB3 SER A 102 -11.676 1.410 13.708 1.00 0.00 H new ATOM 0 HG SER A 102 -9.988 3.592 14.474 1.00 0.00 H new ATOM 1469 N GLY A 103 -13.242 4.649 16.302 1.00 0.00 N ATOM 1470 CA GLY A 103 -13.087 5.567 17.415 1.00 0.00 C ATOM 1471 C GLY A 103 -12.745 4.857 18.710 1.00 0.00 C ATOM 1472 O GLY A 103 -13.403 3.888 19.087 1.00 0.00 O ATOM 0 H GLY A 103 -14.203 4.368 16.109 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -12.303 6.287 17.181 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -14.010 6.132 17.547 1.00 0.00 H new TER 1476 GLY A 103