USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=25 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 4 ASN : amide:sc= 0.0666 K(o=-0.13,f=-4.1!) USER MOD Set 1.2: A 119 GLN : amide:sc= -0.194 K(o=-0.13,f=-2.4) USER MOD Set 2.1: A 71 ASN : amide:sc= 0.917 K(o=2.3,f=1.4) USER MOD Set 2.2: A 74 THR OG1 : rot -170:sc= 1.39 USER MOD Set 3.1: A 70 THR OG1 : rot -119:sc= -0.717 USER MOD Set 3.2: A 77 GLN : amide:sc= -1.26 K(o=-2,f=-5.4!) USER MOD Set 4.1: A 11 HIS : no HD1:sc= -6.05! C(o=-8.2!,f=-9.3!) USER MOD Set 4.2: A 88 ASN : amide:sc= -2.14! C(o=-8.2!,f=-19!) USER MOD Single : A 1 GLU N :NH3+ -176:sc= -2.06 (180deg=-2.07) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.383 USER MOD Single : A 10 TYR OH : rot 114:sc= 0.729 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -3.42! C(o=-3.4!,f=-4.1!) USER MOD Single : A 18 ASN : amide:sc= -0.251 K(o=-0.25,f=-0.75) USER MOD Single : A 19 ASN : amide:sc= -0.603 K(o=-0.6,f=-3.3) USER MOD Single : A 28 SER OG : rot 55:sc= 1.16 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0896 USER MOD Single : A 37 SER OG : rot -114:sc= 0.954 USER MOD Single : A 38 LYS NZ :NH3+ -121:sc= 1.51 (180deg=-0.0581) USER MOD Single : A 41 SER OG : rot 180:sc= 0.101 USER MOD Single : A 44 SER OG : rot 8:sc= 0.448 USER MOD Single : A 45 LYS NZ :NH3+ 155:sc= -0.026 (180deg=-0.581) USER MOD Single : A 46 TYR OH : rot 165:sc= 0 USER MOD Single : A 49 THR OG1 : rot 13:sc= 0.635 USER MOD Single : A 60 GLN : amide:sc= -0.32 X(o=-0.32,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 97 THR OG1 : rot -160:sc= 0 USER MOD Single : A 100 THR OG1 : rot 170:sc= -0.0492 USER MOD Single : A 101 LYS NZ :NH3+ 152:sc= -0.199 (180deg=-1.43!) USER MOD Single : A 104 THR OG1 : rot 180:sc= -0.0245 USER MOD Single : A 105 ASN : amide:sc= -4.82! K(o=-4.8!,f=-0.65) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 111 GLN : amide:sc= -0.0391 X(o=-0.039,f=-0.058) USER MOD Single : A 113 HIS : no HE2:sc= -3.24! C(o=-3.2!,f=-5.7!) USER MOD Single : A 115 ASN : amide:sc= 0.306 K(o=0.31,f=-4.9!) USER MOD Single : A 117 ASN : amide:sc= -0.653 K(o=-0.65,f=-8.4!) USER MOD Single : A 118 TYR OH : rot -7:sc= 0.953 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 2.580 14.443 -0.325 1.00 0.00 N ATOM 2 CA GLU A 1 2.358 14.144 -1.775 1.00 0.00 C ATOM 3 C GLU A 1 3.596 13.494 -2.454 1.00 0.00 C ATOM 4 O GLU A 1 3.437 12.627 -3.293 1.00 0.00 O ATOM 5 CB GLU A 1 1.969 15.477 -2.459 1.00 0.00 C ATOM 6 CG GLU A 1 0.713 16.102 -1.717 1.00 0.00 C ATOM 7 CD GLU A 1 0.189 17.395 -2.377 1.00 0.00 C ATOM 8 OE1 GLU A 1 0.855 17.899 -3.263 1.00 0.00 O ATOM 9 OE2 GLU A 1 -0.871 17.779 -1.911 1.00 0.00 O ATOM 0 H1 GLU A 1 1.701 14.812 0.092 1.00 0.00 H new ATOM 0 H2 GLU A 1 2.859 13.572 0.170 1.00 0.00 H new ATOM 0 H3 GLU A 1 3.334 15.153 -0.228 1.00 0.00 H new ATOM 0 HA GLU A 1 1.562 13.406 -1.878 1.00 0.00 H new ATOM 0 HB2 GLU A 1 2.807 16.173 -2.428 1.00 0.00 H new ATOM 0 HB3 GLU A 1 1.736 15.305 -3.510 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -0.089 15.365 -1.694 1.00 0.00 H new ATOM 0 HG3 GLU A 1 0.981 16.315 -0.682 1.00 0.00 H new ATOM 18 N GLN A 2 4.779 13.936 -2.080 1.00 0.00 N ATOM 19 CA GLN A 2 6.075 13.406 -2.637 1.00 0.00 C ATOM 20 C GLN A 2 6.992 12.852 -1.514 1.00 0.00 C ATOM 21 O GLN A 2 7.384 13.600 -0.635 1.00 0.00 O ATOM 22 CB GLN A 2 6.812 14.567 -3.372 1.00 0.00 C ATOM 23 CG GLN A 2 8.257 14.139 -3.835 1.00 0.00 C ATOM 24 CD GLN A 2 9.258 15.287 -3.615 1.00 0.00 C ATOM 25 OE1 GLN A 2 9.549 16.081 -4.480 1.00 0.00 O ATOM 26 NE2 GLN A 2 9.812 15.420 -2.451 1.00 0.00 N ATOM 0 H GLN A 2 4.904 14.671 -1.384 1.00 0.00 H new ATOM 0 HA GLN A 2 5.850 12.590 -3.324 1.00 0.00 H new ATOM 0 HB2 GLN A 2 6.229 14.877 -4.239 1.00 0.00 H new ATOM 0 HB3 GLN A 2 6.883 15.430 -2.710 1.00 0.00 H new ATOM 0 HG2 GLN A 2 8.577 13.258 -3.278 1.00 0.00 H new ATOM 0 HG3 GLN A 2 8.240 13.861 -4.889 1.00 0.00 H new ATOM 0 HE21 GLN A 2 9.587 14.766 -1.701 1.00 0.00 H new ATOM 0 HE22 GLN A 2 10.473 16.179 -2.285 1.00 0.00 H new ATOM 35 N ALA A 3 7.309 11.581 -1.562 1.00 0.00 N ATOM 36 CA ALA A 3 8.197 10.978 -0.522 1.00 0.00 C ATOM 37 C ALA A 3 9.326 10.146 -1.177 1.00 0.00 C ATOM 38 O ALA A 3 9.063 9.346 -2.058 1.00 0.00 O ATOM 39 CB ALA A 3 7.345 10.099 0.344 1.00 0.00 C ATOM 0 H ALA A 3 6.988 10.933 -2.281 1.00 0.00 H new ATOM 0 HA ALA A 3 8.669 11.763 0.068 1.00 0.00 H new ATOM 0 HB1 ALA A 3 7.963 9.641 1.117 1.00 0.00 H new ATOM 0 HB2 ALA A 3 6.563 10.697 0.812 1.00 0.00 H new ATOM 0 HB3 ALA A 3 6.889 9.319 -0.266 1.00 0.00 H new ATOM 45 N ASN A 4 10.536 10.352 -0.725 1.00 0.00 N ATOM 46 CA ASN A 4 11.707 9.601 -1.280 1.00 0.00 C ATOM 47 C ASN A 4 12.455 8.896 -0.117 1.00 0.00 C ATOM 48 O ASN A 4 12.219 9.212 1.031 1.00 0.00 O ATOM 49 CB ASN A 4 12.625 10.619 -2.027 1.00 0.00 C ATOM 50 CG ASN A 4 11.873 11.374 -3.127 1.00 0.00 C ATOM 51 OD1 ASN A 4 10.986 10.891 -3.791 1.00 0.00 O ATOM 52 ND2 ASN A 4 12.193 12.598 -3.385 1.00 0.00 N ATOM 0 H ASN A 4 10.767 11.016 0.014 1.00 0.00 H new ATOM 0 HA ASN A 4 11.390 8.832 -1.985 1.00 0.00 H new ATOM 0 HB2 ASN A 4 13.032 11.333 -1.311 1.00 0.00 H new ATOM 0 HB3 ASN A 4 13.471 10.090 -2.465 1.00 0.00 H new ATOM 0 HD21 ASN A 4 11.704 13.109 -4.120 1.00 0.00 H new ATOM 0 HD22 ASN A 4 12.935 13.054 -2.854 1.00 0.00 H new ATOM 59 N ASP A 5 13.319 7.972 -0.450 1.00 0.00 N ATOM 60 CA ASP A 5 14.143 7.174 0.529 1.00 0.00 C ATOM 61 C ASP A 5 13.214 6.393 1.505 1.00 0.00 C ATOM 62 O ASP A 5 13.407 6.377 2.704 1.00 0.00 O ATOM 63 CB ASP A 5 15.105 8.215 1.263 1.00 0.00 C ATOM 64 CG ASP A 5 16.155 7.564 2.168 1.00 0.00 C ATOM 65 OD1 ASP A 5 16.820 6.715 1.605 1.00 0.00 O ATOM 66 OD2 ASP A 5 16.241 7.940 3.327 1.00 0.00 O ATOM 0 H ASP A 5 13.501 7.720 -1.421 1.00 0.00 H new ATOM 0 HA ASP A 5 14.749 6.412 0.039 1.00 0.00 H new ATOM 0 HB2 ASP A 5 15.613 8.817 0.510 1.00 0.00 H new ATOM 0 HB3 ASP A 5 14.498 8.896 1.860 1.00 0.00 H new ATOM 71 N VAL A 6 12.214 5.735 0.971 1.00 0.00 N ATOM 72 CA VAL A 6 11.287 4.972 1.879 1.00 0.00 C ATOM 73 C VAL A 6 11.431 3.463 1.614 1.00 0.00 C ATOM 74 O VAL A 6 11.735 3.028 0.514 1.00 0.00 O ATOM 75 CB VAL A 6 9.804 5.497 1.626 1.00 0.00 C ATOM 76 CG1 VAL A 6 8.783 4.870 2.623 1.00 0.00 C ATOM 77 CG2 VAL A 6 9.741 7.025 1.893 1.00 0.00 C ATOM 0 H VAL A 6 11.999 5.689 -0.025 1.00 0.00 H new ATOM 0 HA VAL A 6 11.535 5.134 2.928 1.00 0.00 H new ATOM 0 HB VAL A 6 9.555 5.230 0.599 1.00 0.00 H new ATOM 0 HG11 VAL A 6 7.786 5.256 2.413 1.00 0.00 H new ATOM 0 HG12 VAL A 6 8.783 3.786 2.510 1.00 0.00 H new ATOM 0 HG13 VAL A 6 9.065 5.129 3.644 1.00 0.00 H new ATOM 0 HG21 VAL A 6 8.726 7.383 1.720 1.00 0.00 H new ATOM 0 HG22 VAL A 6 10.025 7.226 2.926 1.00 0.00 H new ATOM 0 HG23 VAL A 6 10.427 7.540 1.221 1.00 0.00 H new ATOM 87 N ARG A 7 11.189 2.730 2.671 1.00 0.00 N ATOM 88 CA ARG A 7 11.270 1.235 2.683 1.00 0.00 C ATOM 89 C ARG A 7 9.965 0.643 2.089 1.00 0.00 C ATOM 90 O ARG A 7 8.919 0.667 2.717 1.00 0.00 O ATOM 91 CB ARG A 7 11.486 0.794 4.180 1.00 0.00 C ATOM 92 CG ARG A 7 12.583 1.658 4.888 1.00 0.00 C ATOM 93 CD ARG A 7 12.688 1.297 6.389 1.00 0.00 C ATOM 94 NE ARG A 7 13.539 0.061 6.529 1.00 0.00 N ATOM 95 CZ ARG A 7 13.492 -0.686 7.571 1.00 0.00 C ATOM 96 NH1 ARG A 7 13.967 -0.199 8.647 1.00 0.00 N ATOM 97 NH2 ARG A 7 12.992 -1.858 7.493 1.00 0.00 N ATOM 0 H ARG A 7 10.925 3.129 3.572 1.00 0.00 H new ATOM 0 HA ARG A 7 12.096 0.868 2.074 1.00 0.00 H new ATOM 0 HB2 ARG A 7 10.546 0.883 4.724 1.00 0.00 H new ATOM 0 HB3 ARG A 7 11.774 -0.257 4.211 1.00 0.00 H new ATOM 0 HG2 ARG A 7 13.546 1.498 4.403 1.00 0.00 H new ATOM 0 HG3 ARG A 7 12.344 2.716 4.780 1.00 0.00 H new ATOM 0 HD2 ARG A 7 13.128 2.124 6.947 1.00 0.00 H new ATOM 0 HD3 ARG A 7 11.696 1.122 6.806 1.00 0.00 H new ATOM 0 HE ARG A 7 14.173 -0.190 5.770 1.00 0.00 H new ATOM 0 HH11 ARG A 7 14.360 0.742 8.651 1.00 0.00 H new ATOM 0 HH12 ARG A 7 13.955 -0.750 9.505 1.00 0.00 H new ATOM 0 HH21 ARG A 7 12.630 -2.200 6.603 1.00 0.00 H new ATOM 0 HH22 ARG A 7 12.954 -2.453 8.321 1.00 0.00 H new ATOM 111 N ALA A 8 10.063 0.129 0.888 1.00 0.00 N ATOM 112 CA ALA A 8 8.862 -0.462 0.228 1.00 0.00 C ATOM 113 C ALA A 8 8.827 -1.972 0.525 1.00 0.00 C ATOM 114 O ALA A 8 9.463 -2.779 -0.128 1.00 0.00 O ATOM 115 CB ALA A 8 8.963 -0.166 -1.295 1.00 0.00 C ATOM 0 H ALA A 8 10.922 0.094 0.338 1.00 0.00 H new ATOM 0 HA ALA A 8 7.935 -0.030 0.605 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.097 -0.587 -1.806 1.00 0.00 H new ATOM 0 HB2 ALA A 8 8.990 0.912 -1.455 1.00 0.00 H new ATOM 0 HB3 ALA A 8 9.873 -0.615 -1.693 1.00 0.00 H new ATOM 121 N THR A 9 8.066 -2.280 1.544 1.00 0.00 N ATOM 122 CA THR A 9 7.889 -3.702 2.007 1.00 0.00 C ATOM 123 C THR A 9 6.608 -4.292 1.407 1.00 0.00 C ATOM 124 O THR A 9 5.726 -3.572 0.981 1.00 0.00 O ATOM 125 CB THR A 9 7.800 -3.736 3.547 1.00 0.00 C ATOM 126 OG1 THR A 9 7.278 -5.018 3.852 1.00 0.00 O ATOM 127 CG2 THR A 9 6.744 -2.796 4.102 1.00 0.00 C ATOM 0 H THR A 9 7.546 -1.594 2.091 1.00 0.00 H new ATOM 0 HA THR A 9 8.743 -4.294 1.678 1.00 0.00 H new ATOM 0 HB THR A 9 8.778 -3.480 3.953 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.194 -5.114 4.824 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.730 -2.866 5.190 1.00 0.00 H new ATOM 0 HG22 THR A 9 6.976 -1.773 3.807 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.766 -3.074 3.708 1.00 0.00 H new ATOM 135 N TYR A 10 6.539 -5.591 1.403 1.00 0.00 N ATOM 136 CA TYR A 10 5.331 -6.269 0.826 1.00 0.00 C ATOM 137 C TYR A 10 4.658 -7.324 1.730 1.00 0.00 C ATOM 138 O TYR A 10 5.309 -7.954 2.541 1.00 0.00 O ATOM 139 CB TYR A 10 5.820 -6.877 -0.519 1.00 0.00 C ATOM 140 CG TYR A 10 6.926 -7.922 -0.248 1.00 0.00 C ATOM 141 CD1 TYR A 10 6.586 -9.218 0.089 1.00 0.00 C ATOM 142 CD2 TYR A 10 8.268 -7.581 -0.316 1.00 0.00 C ATOM 143 CE1 TYR A 10 7.562 -10.160 0.355 1.00 0.00 C ATOM 144 CE2 TYR A 10 9.240 -8.528 -0.048 1.00 0.00 C ATOM 145 CZ TYR A 10 8.893 -9.817 0.291 1.00 0.00 C ATOM 146 OH TYR A 10 9.864 -10.752 0.584 1.00 0.00 O ATOM 0 H TYR A 10 7.257 -6.216 1.770 1.00 0.00 H new ATOM 0 HA TYR A 10 4.530 -5.540 0.703 1.00 0.00 H new ATOM 0 HB2 TYR A 10 4.986 -7.344 -1.042 1.00 0.00 H new ATOM 0 HB3 TYR A 10 6.202 -6.089 -1.168 1.00 0.00 H new ATOM 0 HD1 TYR A 10 5.545 -9.499 0.145 1.00 0.00 H new ATOM 0 HD2 TYR A 10 8.555 -6.574 -0.579 1.00 0.00 H new ATOM 0 HE1 TYR A 10 7.279 -11.169 0.614 1.00 0.00 H new ATOM 0 HE2 TYR A 10 10.283 -8.253 -0.105 1.00 0.00 H new ATOM 0 HH TYR A 10 10.384 -10.948 -0.223 1.00 0.00 H new ATOM 156 N HIS A 11 3.369 -7.464 1.555 1.00 0.00 N ATOM 157 CA HIS A 11 2.553 -8.459 2.333 1.00 0.00 C ATOM 158 C HIS A 11 1.267 -8.665 1.494 1.00 0.00 C ATOM 159 O HIS A 11 0.828 -7.728 0.861 1.00 0.00 O ATOM 160 CB HIS A 11 2.190 -7.901 3.770 1.00 0.00 C ATOM 161 CG HIS A 11 1.007 -6.938 3.713 1.00 0.00 C ATOM 162 ND1 HIS A 11 1.072 -5.656 3.838 1.00 0.00 N ATOM 163 CD2 HIS A 11 -0.335 -7.210 3.500 1.00 0.00 C ATOM 164 CE1 HIS A 11 -0.126 -5.157 3.710 1.00 0.00 C ATOM 165 NE2 HIS A 11 -1.025 -6.088 3.501 1.00 0.00 N ATOM 0 H HIS A 11 2.828 -6.916 0.886 1.00 0.00 H new ATOM 0 HA HIS A 11 3.098 -9.389 2.493 1.00 0.00 H new ATOM 0 HB2 HIS A 11 1.953 -8.732 4.435 1.00 0.00 H new ATOM 0 HB3 HIS A 11 3.056 -7.391 4.193 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -0.753 -8.195 3.355 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -0.351 -4.102 3.769 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -2.030 -5.970 3.369 1.00 0.00 H new ATOM 173 N TYR A 12 0.685 -9.837 1.476 1.00 0.00 N ATOM 174 CA TYR A 12 -0.579 -10.098 0.686 1.00 0.00 C ATOM 175 C TYR A 12 -1.537 -11.022 1.503 1.00 0.00 C ATOM 176 O TYR A 12 -1.069 -11.833 2.274 1.00 0.00 O ATOM 177 CB TYR A 12 -0.147 -10.736 -0.679 1.00 0.00 C ATOM 178 CG TYR A 12 0.886 -11.842 -0.442 1.00 0.00 C ATOM 179 CD1 TYR A 12 0.553 -13.046 0.148 1.00 0.00 C ATOM 180 CD2 TYR A 12 2.192 -11.620 -0.817 1.00 0.00 C ATOM 181 CE1 TYR A 12 1.519 -14.006 0.358 1.00 0.00 C ATOM 182 CE2 TYR A 12 3.155 -12.582 -0.605 1.00 0.00 C ATOM 183 CZ TYR A 12 2.820 -13.779 -0.015 1.00 0.00 C ATOM 184 OH TYR A 12 3.771 -14.746 0.209 1.00 0.00 O ATOM 0 H TYR A 12 1.034 -10.649 1.985 1.00 0.00 H new ATOM 0 HA TYR A 12 -1.132 -9.179 0.492 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -1.019 -11.146 -1.189 1.00 0.00 H new ATOM 0 HB3 TYR A 12 0.273 -9.970 -1.330 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -0.468 -13.235 0.446 1.00 0.00 H new ATOM 0 HD2 TYR A 12 2.464 -10.684 -1.281 1.00 0.00 H new ATOM 0 HE1 TYR A 12 1.250 -14.945 0.820 1.00 0.00 H new ATOM 0 HE2 TYR A 12 4.176 -12.396 -0.903 1.00 0.00 H new ATOM 0 HH TYR A 12 4.641 -14.430 -0.113 1.00 0.00 H new ATOM 194 N TYR A 13 -2.829 -10.897 1.345 1.00 0.00 N ATOM 195 CA TYR A 13 -3.818 -11.749 2.097 1.00 0.00 C ATOM 196 C TYR A 13 -4.774 -12.437 1.104 1.00 0.00 C ATOM 197 O TYR A 13 -4.879 -13.644 1.040 1.00 0.00 O ATOM 198 CB TYR A 13 -4.578 -10.802 3.117 1.00 0.00 C ATOM 199 CG TYR A 13 -5.004 -9.527 2.368 1.00 0.00 C ATOM 200 CD1 TYR A 13 -4.050 -8.562 2.104 1.00 0.00 C ATOM 201 CD2 TYR A 13 -6.292 -9.330 1.904 1.00 0.00 C ATOM 202 CE1 TYR A 13 -4.365 -7.432 1.383 1.00 0.00 C ATOM 203 CE2 TYR A 13 -6.599 -8.189 1.183 1.00 0.00 C ATOM 204 CZ TYR A 13 -5.638 -7.243 0.917 1.00 0.00 C ATOM 205 OH TYR A 13 -5.947 -6.139 0.157 1.00 0.00 O ATOM 0 H TYR A 13 -3.258 -10.223 0.710 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.325 -12.546 2.654 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -5.450 -11.310 3.529 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.930 -10.550 3.957 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -3.042 -8.696 2.469 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -7.057 -10.065 2.104 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.604 -6.692 1.184 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -7.607 -8.040 0.825 1.00 0.00 H new ATOM 0 HH TYR A 13 -6.895 -6.166 -0.089 1.00 0.00 H new ATOM 215 N ARG A 14 -5.455 -11.601 0.359 1.00 0.00 N ATOM 216 CA ARG A 14 -6.451 -12.015 -0.693 1.00 0.00 C ATOM 217 C ARG A 14 -6.485 -11.038 -1.913 1.00 0.00 C ATOM 218 O ARG A 14 -7.399 -10.253 -2.060 1.00 0.00 O ATOM 219 CB ARG A 14 -7.853 -12.092 -0.039 1.00 0.00 C ATOM 220 CG ARG A 14 -7.961 -13.366 0.833 1.00 0.00 C ATOM 221 CD ARG A 14 -9.334 -13.434 1.499 1.00 0.00 C ATOM 222 NE ARG A 14 -9.406 -12.273 2.459 1.00 0.00 N ATOM 223 CZ ARG A 14 -9.336 -12.444 3.723 1.00 0.00 C ATOM 224 NH1 ARG A 14 -10.332 -12.923 4.342 1.00 0.00 N ATOM 225 NH2 ARG A 14 -8.253 -12.128 4.310 1.00 0.00 N ATOM 0 H ARG A 14 -5.357 -10.589 0.440 1.00 0.00 H new ATOM 0 HA ARG A 14 -6.147 -12.987 -1.082 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -8.027 -11.207 0.573 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -8.623 -12.103 -0.810 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -7.803 -14.251 0.217 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -7.180 -13.363 1.593 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -10.129 -13.372 0.756 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -9.463 -14.380 2.025 1.00 0.00 H new ATOM 0 HE ARG A 14 -9.513 -11.328 2.090 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -11.180 -13.168 3.831 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -10.286 -13.063 5.351 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -7.473 -11.750 3.772 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -8.165 -12.252 5.319 1.00 0.00 H new ATOM 239 N PRO A 15 -5.498 -11.081 -2.774 1.00 0.00 N ATOM 240 CA PRO A 15 -5.511 -10.263 -4.029 1.00 0.00 C ATOM 241 C PRO A 15 -6.386 -10.931 -5.138 1.00 0.00 C ATOM 242 O PRO A 15 -7.512 -11.330 -4.881 1.00 0.00 O ATOM 243 CB PRO A 15 -4.019 -10.166 -4.311 1.00 0.00 C ATOM 244 CG PRO A 15 -3.546 -11.612 -3.992 1.00 0.00 C ATOM 245 CD PRO A 15 -4.253 -11.899 -2.644 1.00 0.00 C ATOM 0 HA PRO A 15 -5.975 -9.279 -3.967 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.815 -9.887 -5.345 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -3.530 -9.426 -3.678 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.845 -12.318 -4.767 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.461 -11.675 -3.904 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -4.471 -12.959 -2.514 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -3.648 -11.591 -1.791 1.00 0.00 H new ATOM 253 N ALA A 16 -5.896 -11.049 -6.353 1.00 0.00 N ATOM 254 CA ALA A 16 -6.697 -11.686 -7.444 1.00 0.00 C ATOM 255 C ALA A 16 -7.368 -13.018 -7.008 1.00 0.00 C ATOM 256 O ALA A 16 -8.299 -13.461 -7.645 1.00 0.00 O ATOM 257 CB ALA A 16 -5.738 -11.870 -8.643 1.00 0.00 C ATOM 0 H ALA A 16 -4.969 -10.728 -6.634 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.537 -11.047 -7.716 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.275 -12.333 -9.471 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.357 -10.898 -8.957 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.905 -12.508 -8.348 1.00 0.00 H new ATOM 263 N GLN A 17 -6.892 -13.632 -5.948 1.00 0.00 N ATOM 264 CA GLN A 17 -7.474 -14.925 -5.425 1.00 0.00 C ATOM 265 C GLN A 17 -9.022 -14.822 -5.400 1.00 0.00 C ATOM 266 O GLN A 17 -9.706 -15.650 -5.965 1.00 0.00 O ATOM 267 CB GLN A 17 -6.868 -15.172 -4.000 1.00 0.00 C ATOM 268 CG GLN A 17 -7.470 -16.461 -3.348 1.00 0.00 C ATOM 269 CD GLN A 17 -8.895 -16.226 -2.839 1.00 0.00 C ATOM 270 OE1 GLN A 17 -9.120 -15.548 -1.865 1.00 0.00 O ATOM 271 NE2 GLN A 17 -9.913 -16.743 -3.439 1.00 0.00 N ATOM 0 H GLN A 17 -6.102 -13.284 -5.405 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.224 -15.771 -6.065 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.785 -15.270 -4.074 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.067 -14.311 -3.362 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.473 -17.270 -4.078 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -6.836 -16.780 -2.521 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -9.777 -17.324 -4.266 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -10.854 -16.571 -3.086 1.00 0.00 H new ATOM 280 N ASN A 18 -9.525 -13.803 -4.738 1.00 0.00 N ATOM 281 CA ASN A 18 -11.013 -13.576 -4.648 1.00 0.00 C ATOM 282 C ASN A 18 -11.266 -12.353 -5.579 1.00 0.00 C ATOM 283 O ASN A 18 -12.005 -11.430 -5.295 1.00 0.00 O ATOM 284 CB ASN A 18 -11.388 -13.258 -3.169 1.00 0.00 C ATOM 285 CG ASN A 18 -12.910 -13.322 -2.894 1.00 0.00 C ATOM 286 OD1 ASN A 18 -13.473 -12.487 -2.226 1.00 0.00 O ATOM 287 ND2 ASN A 18 -13.647 -14.282 -3.355 1.00 0.00 N ATOM 0 H ASN A 18 -8.962 -13.108 -4.248 1.00 0.00 H new ATOM 0 HA ASN A 18 -11.612 -14.436 -4.947 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -10.878 -13.963 -2.513 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -11.022 -12.263 -2.915 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -14.645 -14.303 -3.147 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -13.229 -15.017 -3.926 1.00 0.00 H new ATOM 294 N ASN A 19 -10.589 -12.451 -6.695 1.00 0.00 N ATOM 295 CA ASN A 19 -10.595 -11.456 -7.814 1.00 0.00 C ATOM 296 C ASN A 19 -10.378 -9.962 -7.374 1.00 0.00 C ATOM 297 O ASN A 19 -11.038 -9.049 -7.846 1.00 0.00 O ATOM 298 CB ASN A 19 -11.952 -11.737 -8.530 1.00 0.00 C ATOM 299 CG ASN A 19 -11.934 -11.234 -9.964 1.00 0.00 C ATOM 300 OD1 ASN A 19 -12.194 -10.091 -10.270 1.00 0.00 O ATOM 301 ND2 ASN A 19 -11.624 -12.057 -10.916 1.00 0.00 N ATOM 0 H ASN A 19 -9.983 -13.249 -6.887 1.00 0.00 H new ATOM 0 HA ASN A 19 -9.741 -11.580 -8.480 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -12.156 -12.808 -8.520 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -12.761 -11.254 -7.983 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -11.605 -11.734 -11.883 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -11.399 -13.028 -10.698 1.00 0.00 H new ATOM 308 N TRP A 20 -9.435 -9.808 -6.463 1.00 0.00 N ATOM 309 CA TRP A 20 -8.982 -8.522 -5.845 1.00 0.00 C ATOM 310 C TRP A 20 -9.912 -8.147 -4.679 1.00 0.00 C ATOM 311 O TRP A 20 -10.930 -7.528 -4.931 1.00 0.00 O ATOM 312 CB TRP A 20 -8.976 -7.370 -6.873 1.00 0.00 C ATOM 313 CG TRP A 20 -8.112 -7.674 -8.113 1.00 0.00 C ATOM 314 CD1 TRP A 20 -8.686 -8.114 -9.224 1.00 0.00 C ATOM 315 CD2 TRP A 20 -6.766 -7.585 -8.306 1.00 0.00 C ATOM 316 NE1 TRP A 20 -7.684 -8.288 -10.061 1.00 0.00 N ATOM 317 CE2 TRP A 20 -6.475 -7.991 -9.596 1.00 0.00 C ATOM 318 CE3 TRP A 20 -5.724 -7.169 -7.496 1.00 0.00 C ATOM 319 CZ2 TRP A 20 -5.160 -7.969 -10.035 1.00 0.00 C ATOM 320 CZ3 TRP A 20 -4.421 -7.147 -7.929 1.00 0.00 C ATOM 321 CH2 TRP A 20 -4.133 -7.548 -9.201 1.00 0.00 C ATOM 0 H TRP A 20 -8.919 -10.608 -6.096 1.00 0.00 H new ATOM 0 HA TRP A 20 -7.964 -8.669 -5.484 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -9.999 -7.168 -7.190 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -8.607 -6.464 -6.393 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -9.737 -8.290 -9.402 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -7.828 -8.631 -11.011 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -5.943 -6.850 -6.488 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -4.931 -8.285 -11.042 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -3.632 -6.816 -7.270 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -3.113 -7.538 -9.557 1.00 0.00 H new ATOM 332 N ASP A 21 -9.560 -8.524 -3.468 1.00 0.00 N ATOM 333 CA ASP A 21 -10.358 -8.235 -2.228 1.00 0.00 C ATOM 334 C ASP A 21 -11.486 -7.204 -2.306 1.00 0.00 C ATOM 335 O ASP A 21 -12.521 -7.400 -1.733 1.00 0.00 O ATOM 336 CB ASP A 21 -9.324 -7.865 -1.178 1.00 0.00 C ATOM 337 CG ASP A 21 -9.964 -7.634 0.164 1.00 0.00 C ATOM 338 OD1 ASP A 21 -10.479 -6.546 0.332 1.00 0.00 O ATOM 339 OD2 ASP A 21 -9.872 -8.597 0.914 1.00 0.00 O ATOM 0 H ASP A 21 -8.705 -9.049 -3.282 1.00 0.00 H new ATOM 0 HA ASP A 21 -10.942 -9.127 -2.000 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.584 -8.661 -1.098 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.793 -6.966 -1.489 1.00 0.00 H new ATOM 344 N LEU A 22 -11.250 -6.138 -3.000 1.00 0.00 N ATOM 345 CA LEU A 22 -12.249 -5.026 -3.194 1.00 0.00 C ATOM 346 C LEU A 22 -13.746 -5.489 -3.131 1.00 0.00 C ATOM 347 O LEU A 22 -14.587 -4.731 -2.703 1.00 0.00 O ATOM 348 CB LEU A 22 -12.007 -4.300 -4.595 1.00 0.00 C ATOM 349 CG LEU A 22 -10.509 -4.169 -4.959 1.00 0.00 C ATOM 350 CD1 LEU A 22 -10.222 -3.271 -6.209 1.00 0.00 C ATOM 351 CD2 LEU A 22 -9.664 -3.674 -3.734 1.00 0.00 C ATOM 0 H LEU A 22 -10.361 -5.971 -3.472 1.00 0.00 H new ATOM 0 HA LEU A 22 -12.084 -4.345 -2.359 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -12.518 -4.858 -5.380 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -12.456 -3.307 -4.565 1.00 0.00 H new ATOM 0 HG LEU A 22 -10.200 -5.178 -5.232 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.148 -3.235 -6.392 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.725 -3.690 -7.081 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.593 -2.263 -6.026 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.616 -3.593 -4.024 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -10.028 -2.699 -3.411 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -9.760 -4.386 -2.914 1.00 0.00 H new ATOM 363 N GLY A 23 -14.047 -6.696 -3.559 1.00 0.00 N ATOM 364 CA GLY A 23 -15.480 -7.204 -3.529 1.00 0.00 C ATOM 365 C GLY A 23 -15.906 -8.082 -2.324 1.00 0.00 C ATOM 366 O GLY A 23 -17.042 -8.512 -2.253 1.00 0.00 O ATOM 0 H GLY A 23 -13.367 -7.360 -3.930 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -16.143 -6.340 -3.566 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -15.652 -7.777 -4.440 1.00 0.00 H new ATOM 370 N ALA A 24 -14.988 -8.295 -1.429 1.00 0.00 N ATOM 371 CA ALA A 24 -15.171 -9.107 -0.202 1.00 0.00 C ATOM 372 C ALA A 24 -15.715 -8.243 0.981 1.00 0.00 C ATOM 373 O ALA A 24 -14.973 -7.506 1.608 1.00 0.00 O ATOM 374 CB ALA A 24 -13.805 -9.719 0.134 1.00 0.00 C ATOM 0 H ALA A 24 -14.048 -7.907 -1.510 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.913 -9.889 -0.367 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -13.891 -10.328 1.034 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -13.472 -10.342 -0.696 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -13.081 -8.922 0.303 1.00 0.00 H new ATOM 380 N PRO A 25 -17.001 -8.379 1.244 1.00 0.00 N ATOM 381 CA PRO A 25 -17.748 -7.482 2.173 1.00 0.00 C ATOM 382 C PRO A 25 -17.000 -7.295 3.511 1.00 0.00 C ATOM 383 O PRO A 25 -16.890 -6.220 4.062 1.00 0.00 O ATOM 384 CB PRO A 25 -19.119 -8.147 2.387 1.00 0.00 C ATOM 385 CG PRO A 25 -19.131 -9.455 1.536 1.00 0.00 C ATOM 386 CD PRO A 25 -17.867 -9.449 0.664 1.00 0.00 C ATOM 0 HA PRO A 25 -17.851 -6.481 1.753 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -19.278 -8.372 3.442 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -19.924 -7.479 2.079 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -19.147 -10.333 2.182 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -20.025 -9.500 0.915 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -17.367 -10.417 0.688 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -18.108 -9.240 -0.378 1.00 0.00 H new ATOM 394 N ALA A 26 -16.510 -8.406 3.989 1.00 0.00 N ATOM 395 CA ALA A 26 -15.754 -8.472 5.282 1.00 0.00 C ATOM 396 C ALA A 26 -14.422 -7.692 5.310 1.00 0.00 C ATOM 397 O ALA A 26 -13.772 -7.638 6.335 1.00 0.00 O ATOM 398 CB ALA A 26 -15.515 -9.971 5.576 1.00 0.00 C ATOM 0 H ALA A 26 -16.605 -9.307 3.521 1.00 0.00 H new ATOM 0 HA ALA A 26 -16.354 -7.980 6.047 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -14.965 -10.075 6.512 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -16.474 -10.483 5.659 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -14.937 -10.413 4.765 1.00 0.00 H new ATOM 404 N VAL A 27 -14.049 -7.130 4.192 1.00 0.00 N ATOM 405 CA VAL A 27 -12.776 -6.348 4.091 1.00 0.00 C ATOM 406 C VAL A 27 -12.961 -4.943 3.504 1.00 0.00 C ATOM 407 O VAL A 27 -12.663 -3.917 4.085 1.00 0.00 O ATOM 408 CB VAL A 27 -11.797 -7.114 3.190 1.00 0.00 C ATOM 409 CG1 VAL A 27 -10.380 -6.506 3.316 1.00 0.00 C ATOM 410 CG2 VAL A 27 -11.803 -8.627 3.512 1.00 0.00 C ATOM 0 H VAL A 27 -14.583 -7.180 3.324 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.401 -6.229 5.107 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.121 -7.012 2.154 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -9.690 -7.054 2.674 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -10.405 -5.460 3.012 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.045 -6.575 4.351 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -11.100 -9.141 2.857 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -11.509 -8.779 4.551 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -12.804 -9.028 3.356 1.00 0.00 H new ATOM 420 N SER A 28 -13.460 -5.047 2.303 1.00 0.00 N ATOM 421 CA SER A 28 -13.774 -3.903 1.400 1.00 0.00 C ATOM 422 C SER A 28 -12.831 -2.687 1.574 1.00 0.00 C ATOM 423 O SER A 28 -13.154 -1.773 2.308 1.00 0.00 O ATOM 424 CB SER A 28 -15.257 -3.444 1.593 1.00 0.00 C ATOM 425 OG SER A 28 -15.370 -2.960 2.927 1.00 0.00 O ATOM 0 H SER A 28 -13.678 -5.951 1.883 1.00 0.00 H new ATOM 0 HA SER A 28 -13.620 -4.277 0.388 1.00 0.00 H new ATOM 0 HB2 SER A 28 -15.516 -2.665 0.876 1.00 0.00 H new ATOM 0 HB3 SER A 28 -15.943 -4.274 1.424 1.00 0.00 H new ATOM 0 HG SER A 28 -14.702 -2.260 3.079 1.00 0.00 H new ATOM 431 N ALA A 29 -11.694 -2.692 0.930 1.00 0.00 N ATOM 432 CA ALA A 29 -10.714 -1.549 1.034 1.00 0.00 C ATOM 433 C ALA A 29 -11.302 -0.120 0.788 1.00 0.00 C ATOM 434 O ALA A 29 -12.336 0.035 0.175 1.00 0.00 O ATOM 435 CB ALA A 29 -9.582 -1.846 0.028 1.00 0.00 C ATOM 0 H ALA A 29 -11.389 -3.452 0.322 1.00 0.00 H new ATOM 0 HA ALA A 29 -10.371 -1.506 2.068 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -8.844 -1.045 0.064 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.105 -2.791 0.286 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -9.997 -1.912 -0.978 1.00 0.00 H new ATOM 441 N TYR A 30 -10.625 0.892 1.265 1.00 0.00 N ATOM 442 CA TYR A 30 -11.054 2.342 1.106 1.00 0.00 C ATOM 443 C TYR A 30 -11.910 2.674 -0.140 1.00 0.00 C ATOM 444 O TYR A 30 -13.045 3.086 -0.032 1.00 0.00 O ATOM 445 CB TYR A 30 -9.790 3.250 1.080 1.00 0.00 C ATOM 446 CG TYR A 30 -9.860 4.250 2.248 1.00 0.00 C ATOM 447 CD1 TYR A 30 -10.769 5.295 2.216 1.00 0.00 C ATOM 448 CD2 TYR A 30 -9.025 4.130 3.345 1.00 0.00 C ATOM 449 CE1 TYR A 30 -10.838 6.201 3.264 1.00 0.00 C ATOM 450 CE2 TYR A 30 -9.099 5.036 4.390 1.00 0.00 C ATOM 451 CZ TYR A 30 -10.002 6.071 4.357 1.00 0.00 C ATOM 452 OH TYR A 30 -10.047 6.955 5.414 1.00 0.00 O ATOM 0 H TYR A 30 -9.753 0.781 1.782 1.00 0.00 H new ATOM 0 HA TYR A 30 -11.701 2.528 1.963 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -8.889 2.642 1.160 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -9.731 3.784 0.132 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -11.429 5.405 1.368 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -8.309 3.322 3.387 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -11.549 7.013 3.226 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -8.440 4.928 5.239 1.00 0.00 H new ATOM 0 HH TYR A 30 -9.383 6.695 6.086 1.00 0.00 H new ATOM 462 N CYS A 31 -11.322 2.484 -1.291 1.00 0.00 N ATOM 463 CA CYS A 31 -12.053 2.778 -2.562 1.00 0.00 C ATOM 464 C CYS A 31 -12.627 1.507 -3.189 1.00 0.00 C ATOM 465 O CYS A 31 -12.986 1.474 -4.341 1.00 0.00 O ATOM 466 CB CYS A 31 -11.056 3.448 -3.490 1.00 0.00 C ATOM 467 SG CYS A 31 -9.964 4.639 -2.677 1.00 0.00 S ATOM 0 H CYS A 31 -10.369 2.139 -1.408 1.00 0.00 H new ATOM 0 HA CYS A 31 -12.907 3.428 -2.372 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -10.446 2.679 -3.965 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -11.602 3.957 -4.284 1.00 0.00 H new ATOM 472 N ALA A 32 -12.739 0.448 -2.450 1.00 0.00 N ATOM 473 CA ALA A 32 -13.297 -0.813 -3.035 1.00 0.00 C ATOM 474 C ALA A 32 -14.756 -0.542 -3.452 1.00 0.00 C ATOM 475 O ALA A 32 -15.119 -0.639 -4.608 1.00 0.00 O ATOM 476 CB ALA A 32 -13.166 -1.855 -1.942 1.00 0.00 C ATOM 0 H ALA A 32 -12.472 0.391 -1.467 1.00 0.00 H new ATOM 0 HA ALA A 32 -12.779 -1.164 -3.928 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -13.556 -2.808 -2.299 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -12.116 -1.970 -1.673 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -13.732 -1.537 -1.066 1.00 0.00 H new ATOM 482 N THR A 33 -15.495 -0.207 -2.439 1.00 0.00 N ATOM 483 CA THR A 33 -16.955 0.137 -2.459 1.00 0.00 C ATOM 484 C THR A 33 -17.382 1.059 -3.619 1.00 0.00 C ATOM 485 O THR A 33 -18.536 1.102 -4.007 1.00 0.00 O ATOM 486 CB THR A 33 -17.230 0.783 -1.113 1.00 0.00 C ATOM 487 OG1 THR A 33 -16.724 -0.178 -0.196 1.00 0.00 O ATOM 488 CG2 THR A 33 -18.719 0.843 -0.798 1.00 0.00 C ATOM 0 H THR A 33 -15.106 -0.152 -1.498 1.00 0.00 H new ATOM 0 HA THR A 33 -17.541 -0.766 -2.627 1.00 0.00 H new ATOM 0 HB THR A 33 -16.813 1.789 -1.080 1.00 0.00 H new ATOM 0 HG1 THR A 33 -16.852 0.145 0.720 1.00 0.00 H new ATOM 0 HG21 THR A 33 -18.867 1.313 0.174 1.00 0.00 H new ATOM 0 HG22 THR A 33 -19.230 1.426 -1.564 1.00 0.00 H new ATOM 0 HG23 THR A 33 -19.128 -0.167 -0.778 1.00 0.00 H new ATOM 496 N TRP A 34 -16.398 1.767 -4.111 1.00 0.00 N ATOM 497 CA TRP A 34 -16.571 2.738 -5.233 1.00 0.00 C ATOM 498 C TRP A 34 -15.787 2.398 -6.537 1.00 0.00 C ATOM 499 O TRP A 34 -16.349 2.494 -7.613 1.00 0.00 O ATOM 500 CB TRP A 34 -16.184 4.103 -4.585 1.00 0.00 C ATOM 501 CG TRP A 34 -17.169 4.349 -3.415 1.00 0.00 C ATOM 502 CD1 TRP A 34 -18.532 4.284 -3.501 1.00 0.00 C ATOM 503 CD2 TRP A 34 -16.829 4.636 -2.140 1.00 0.00 C ATOM 504 NE1 TRP A 34 -18.920 4.534 -2.262 1.00 0.00 N ATOM 505 CE2 TRP A 34 -17.966 4.756 -1.376 1.00 0.00 C ATOM 506 CE3 TRP A 34 -15.588 4.809 -1.561 1.00 0.00 C ATOM 507 CZ2 TRP A 34 -17.874 5.044 -0.035 1.00 0.00 C ATOM 508 CZ3 TRP A 34 -15.482 5.102 -0.205 1.00 0.00 C ATOM 509 CH2 TRP A 34 -16.635 5.215 0.555 1.00 0.00 C ATOM 0 H TRP A 34 -15.440 1.708 -3.764 1.00 0.00 H new ATOM 0 HA TRP A 34 -17.590 2.730 -5.621 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -15.156 4.080 -4.224 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -16.247 4.908 -5.317 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -19.142 4.079 -4.368 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -19.906 4.554 -2.003 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -14.696 4.717 -2.163 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -18.771 5.137 0.559 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -14.512 5.240 0.250 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -16.566 5.437 1.610 1.00 0.00 H new ATOM 520 N ASP A 35 -14.549 1.980 -6.460 1.00 0.00 N ATOM 521 CA ASP A 35 -13.705 1.634 -7.661 1.00 0.00 C ATOM 522 C ASP A 35 -13.984 0.243 -8.207 1.00 0.00 C ATOM 523 O ASP A 35 -13.924 0.049 -9.406 1.00 0.00 O ATOM 524 CB ASP A 35 -12.205 1.657 -7.298 1.00 0.00 C ATOM 525 CG ASP A 35 -11.678 3.027 -6.878 1.00 0.00 C ATOM 526 OD1 ASP A 35 -12.456 3.959 -6.808 1.00 0.00 O ATOM 527 OD2 ASP A 35 -10.480 3.026 -6.656 1.00 0.00 O ATOM 0 H ASP A 35 -14.061 1.857 -5.573 1.00 0.00 H new ATOM 0 HA ASP A 35 -13.960 2.382 -8.411 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -12.029 0.950 -6.488 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.631 1.308 -8.156 1.00 0.00 H new ATOM 532 N ALA A 36 -14.281 -0.684 -7.322 1.00 0.00 N ATOM 533 CA ALA A 36 -14.576 -2.103 -7.736 1.00 0.00 C ATOM 534 C ALA A 36 -15.551 -2.122 -8.938 1.00 0.00 C ATOM 535 O ALA A 36 -15.575 -3.053 -9.715 1.00 0.00 O ATOM 536 CB ALA A 36 -15.173 -2.823 -6.524 1.00 0.00 C ATOM 0 H ALA A 36 -14.333 -0.518 -6.317 1.00 0.00 H new ATOM 0 HA ALA A 36 -13.666 -2.610 -8.056 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -15.399 -3.856 -6.789 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -14.457 -2.808 -5.703 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -16.089 -2.319 -6.216 1.00 0.00 H new ATOM 542 N SER A 37 -16.322 -1.069 -9.019 1.00 0.00 N ATOM 543 CA SER A 37 -17.340 -0.864 -10.107 1.00 0.00 C ATOM 544 C SER A 37 -16.647 -0.860 -11.480 1.00 0.00 C ATOM 545 O SER A 37 -17.143 -1.422 -12.434 1.00 0.00 O ATOM 546 CB SER A 37 -18.069 0.488 -9.882 1.00 0.00 C ATOM 547 OG SER A 37 -17.071 1.492 -10.069 1.00 0.00 O ATOM 0 H SER A 37 -16.289 -0.304 -8.345 1.00 0.00 H new ATOM 0 HA SER A 37 -18.066 -1.677 -10.080 1.00 0.00 H new ATOM 0 HB2 SER A 37 -18.890 0.614 -10.588 1.00 0.00 H new ATOM 0 HB3 SER A 37 -18.498 0.542 -8.881 1.00 0.00 H new ATOM 0 HG SER A 37 -16.911 1.956 -9.221 1.00 0.00 H new ATOM 553 N LYS A 38 -15.511 -0.213 -11.541 1.00 0.00 N ATOM 554 CA LYS A 38 -14.719 -0.125 -12.808 1.00 0.00 C ATOM 555 C LYS A 38 -14.314 -1.521 -13.316 1.00 0.00 C ATOM 556 O LYS A 38 -13.912 -2.365 -12.527 1.00 0.00 O ATOM 557 CB LYS A 38 -13.423 0.645 -12.590 1.00 0.00 C ATOM 558 CG LYS A 38 -13.618 2.127 -12.308 1.00 0.00 C ATOM 559 CD LYS A 38 -12.174 2.661 -12.128 1.00 0.00 C ATOM 560 CE LYS A 38 -12.149 4.149 -11.898 1.00 0.00 C ATOM 561 NZ LYS A 38 -10.707 4.575 -11.872 1.00 0.00 N ATOM 0 H LYS A 38 -15.089 0.269 -10.748 1.00 0.00 H new ATOM 0 HA LYS A 38 -15.360 0.379 -13.531 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.883 0.196 -11.757 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -12.795 0.534 -13.474 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -14.130 2.627 -13.130 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -14.219 2.288 -11.413 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.703 2.156 -11.285 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.585 2.421 -13.013 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.689 4.669 -12.689 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.641 4.401 -10.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.494 5.023 -10.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -10.097 3.743 -12.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.532 5.255 -12.639 1.00 0.00 H new ATOM 575 N PRO A 39 -14.389 -1.751 -14.611 1.00 0.00 N ATOM 576 CA PRO A 39 -14.086 -3.096 -15.170 1.00 0.00 C ATOM 577 C PRO A 39 -12.735 -3.607 -14.636 1.00 0.00 C ATOM 578 O PRO A 39 -11.807 -2.846 -14.395 1.00 0.00 O ATOM 579 CB PRO A 39 -14.144 -2.867 -16.702 1.00 0.00 C ATOM 580 CG PRO A 39 -13.871 -1.342 -16.834 1.00 0.00 C ATOM 581 CD PRO A 39 -14.730 -0.780 -15.691 1.00 0.00 C ATOM 0 HA PRO A 39 -14.782 -3.883 -14.879 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -13.395 -3.459 -17.228 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -15.115 -3.141 -17.115 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -12.815 -1.102 -16.711 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -14.175 -0.953 -17.806 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -14.461 0.244 -15.432 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -15.793 -0.779 -15.930 1.00 0.00 H new ATOM 589 N LEU A 40 -12.637 -4.903 -14.461 1.00 0.00 N ATOM 590 CA LEU A 40 -11.348 -5.428 -13.940 1.00 0.00 C ATOM 591 C LEU A 40 -10.147 -4.962 -14.718 1.00 0.00 C ATOM 592 O LEU A 40 -9.147 -4.642 -14.111 1.00 0.00 O ATOM 593 CB LEU A 40 -11.340 -6.970 -13.936 1.00 0.00 C ATOM 594 CG LEU A 40 -11.128 -7.403 -12.480 1.00 0.00 C ATOM 595 CD1 LEU A 40 -12.469 -7.502 -11.754 1.00 0.00 C ATOM 596 CD2 LEU A 40 -10.375 -8.729 -12.491 1.00 0.00 C ATOM 0 H LEU A 40 -13.365 -5.592 -14.649 1.00 0.00 H new ATOM 0 HA LEU A 40 -11.273 -5.033 -12.927 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -12.279 -7.363 -14.324 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.545 -7.355 -14.574 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.538 -6.666 -11.936 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -12.302 -7.810 -10.722 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -12.962 -6.530 -11.767 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -13.100 -8.236 -12.254 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -10.210 -9.062 -11.466 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.962 -9.476 -13.025 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.414 -8.598 -12.989 1.00 0.00 H new ATOM 608 N SER A 41 -10.299 -4.942 -16.017 1.00 0.00 N ATOM 609 CA SER A 41 -9.233 -4.518 -16.957 1.00 0.00 C ATOM 610 C SER A 41 -8.297 -3.548 -16.233 1.00 0.00 C ATOM 611 O SER A 41 -7.212 -3.902 -15.821 1.00 0.00 O ATOM 612 CB SER A 41 -10.007 -3.917 -18.133 1.00 0.00 C ATOM 613 OG SER A 41 -10.872 -4.974 -18.535 1.00 0.00 O ATOM 0 H SER A 41 -11.165 -5.218 -16.480 1.00 0.00 H new ATOM 0 HA SER A 41 -8.578 -5.310 -17.319 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.567 -3.031 -17.834 1.00 0.00 H new ATOM 0 HB3 SER A 41 -9.340 -3.615 -18.940 1.00 0.00 H new ATOM 0 HG SER A 41 -11.418 -4.679 -19.294 1.00 0.00 H new ATOM 619 N TRP A 42 -8.788 -2.355 -16.052 1.00 0.00 N ATOM 620 CA TRP A 42 -8.006 -1.273 -15.367 1.00 0.00 C ATOM 621 C TRP A 42 -7.573 -1.678 -13.927 1.00 0.00 C ATOM 622 O TRP A 42 -6.414 -1.563 -13.565 1.00 0.00 O ATOM 623 CB TRP A 42 -8.930 -0.034 -15.390 1.00 0.00 C ATOM 624 CG TRP A 42 -8.179 1.236 -14.988 1.00 0.00 C ATOM 625 CD1 TRP A 42 -7.387 1.940 -15.839 1.00 0.00 C ATOM 626 CD2 TRP A 42 -8.180 1.839 -13.777 1.00 0.00 C ATOM 627 NE1 TRP A 42 -6.951 2.934 -15.090 1.00 0.00 N ATOM 628 CE2 TRP A 42 -7.371 2.954 -13.840 1.00 0.00 C ATOM 629 CE3 TRP A 42 -8.819 1.533 -12.589 1.00 0.00 C ATOM 630 CZ2 TRP A 42 -7.192 3.759 -12.745 1.00 0.00 C ATOM 631 CZ3 TRP A 42 -8.644 2.342 -11.478 1.00 0.00 C ATOM 632 CH2 TRP A 42 -7.827 3.457 -11.559 1.00 0.00 C ATOM 0 H TRP A 42 -9.720 -2.072 -16.355 1.00 0.00 H new ATOM 0 HA TRP A 42 -7.063 -1.072 -15.875 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -9.348 0.091 -16.389 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.768 -0.192 -14.711 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -7.168 1.735 -16.877 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -6.323 3.649 -15.458 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -9.455 0.662 -12.527 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -6.555 4.628 -12.811 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -9.144 2.103 -10.551 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -7.687 4.089 -10.695 1.00 0.00 H new ATOM 643 N ARG A 43 -8.526 -2.156 -13.157 1.00 0.00 N ATOM 644 CA ARG A 43 -8.267 -2.592 -11.732 1.00 0.00 C ATOM 645 C ARG A 43 -7.048 -3.549 -11.579 1.00 0.00 C ATOM 646 O ARG A 43 -6.356 -3.529 -10.572 1.00 0.00 O ATOM 647 CB ARG A 43 -9.570 -3.249 -11.208 1.00 0.00 C ATOM 648 CG ARG A 43 -10.680 -2.169 -11.224 1.00 0.00 C ATOM 649 CD ARG A 43 -11.783 -2.467 -10.215 1.00 0.00 C ATOM 650 NE ARG A 43 -12.537 -3.682 -10.664 1.00 0.00 N ATOM 651 CZ ARG A 43 -12.730 -4.714 -9.926 1.00 0.00 C ATOM 652 NH1 ARG A 43 -11.717 -5.326 -9.471 1.00 0.00 N ATOM 653 NH2 ARG A 43 -13.917 -5.077 -9.688 1.00 0.00 N ATOM 0 H ARG A 43 -9.494 -2.267 -13.458 1.00 0.00 H new ATOM 0 HA ARG A 43 -8.000 -1.716 -11.141 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -9.851 -4.095 -11.835 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -9.425 -3.634 -10.199 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -10.242 -1.196 -11.004 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -11.110 -2.107 -12.223 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -11.355 -2.633 -9.227 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -12.457 -1.615 -10.131 1.00 0.00 H new ATOM 0 HE ARG A 43 -12.918 -3.689 -11.610 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -10.778 -4.995 -9.694 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -11.841 -6.149 -8.882 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -14.699 -4.553 -10.080 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -14.093 -5.894 -9.104 1.00 0.00 H new ATOM 667 N SER A 44 -6.879 -4.376 -12.579 1.00 0.00 N ATOM 668 CA SER A 44 -5.745 -5.375 -12.660 1.00 0.00 C ATOM 669 C SER A 44 -4.533 -4.799 -13.462 1.00 0.00 C ATOM 670 O SER A 44 -3.403 -5.017 -13.087 1.00 0.00 O ATOM 671 CB SER A 44 -6.244 -6.709 -13.341 1.00 0.00 C ATOM 672 OG SER A 44 -6.920 -6.407 -14.567 1.00 0.00 O ATOM 0 H SER A 44 -7.505 -4.407 -13.384 1.00 0.00 H new ATOM 0 HA SER A 44 -5.414 -5.585 -11.643 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.397 -7.367 -13.535 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.915 -7.243 -12.668 1.00 0.00 H new ATOM 0 HG SER A 44 -6.814 -5.455 -14.773 1.00 0.00 H new ATOM 678 N LYS A 45 -4.792 -4.093 -14.539 1.00 0.00 N ATOM 679 CA LYS A 45 -3.763 -3.442 -15.445 1.00 0.00 C ATOM 680 C LYS A 45 -2.663 -2.642 -14.685 1.00 0.00 C ATOM 681 O LYS A 45 -1.478 -2.767 -14.937 1.00 0.00 O ATOM 682 CB LYS A 45 -4.552 -2.514 -16.416 1.00 0.00 C ATOM 683 CG LYS A 45 -3.674 -2.034 -17.601 1.00 0.00 C ATOM 684 CD LYS A 45 -4.497 -1.029 -18.505 1.00 0.00 C ATOM 685 CE LYS A 45 -4.554 0.383 -17.903 1.00 0.00 C ATOM 686 NZ LYS A 45 -3.177 0.926 -18.009 1.00 0.00 N ATOM 0 H LYS A 45 -5.748 -3.927 -14.854 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.215 -4.222 -15.974 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.421 -3.047 -16.801 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.926 -1.649 -15.868 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -2.775 -1.546 -17.225 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.349 -2.889 -18.194 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.045 -0.981 -19.496 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.511 -1.407 -18.635 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.264 1.010 -18.443 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.883 0.352 -16.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.214 1.965 -18.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.617 0.614 -17.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.734 0.580 -18.884 1.00 0.00 H new ATOM 700 N TYR A 46 -3.117 -1.818 -13.776 1.00 0.00 N ATOM 701 CA TYR A 46 -2.172 -0.974 -12.953 1.00 0.00 C ATOM 702 C TYR A 46 -1.510 -1.699 -11.763 1.00 0.00 C ATOM 703 O TYR A 46 -1.734 -2.862 -11.515 1.00 0.00 O ATOM 704 CB TYR A 46 -2.938 0.272 -12.415 1.00 0.00 C ATOM 705 CG TYR A 46 -2.761 1.417 -13.408 1.00 0.00 C ATOM 706 CD1 TYR A 46 -1.487 1.864 -13.685 1.00 0.00 C ATOM 707 CD2 TYR A 46 -3.833 2.017 -14.031 1.00 0.00 C ATOM 708 CE1 TYR A 46 -1.279 2.895 -14.567 1.00 0.00 C ATOM 709 CE2 TYR A 46 -3.616 3.054 -14.919 1.00 0.00 C ATOM 710 CZ TYR A 46 -2.343 3.490 -15.184 1.00 0.00 C ATOM 711 OH TYR A 46 -2.142 4.521 -16.070 1.00 0.00 O ATOM 0 H TYR A 46 -4.105 -1.686 -13.561 1.00 0.00 H new ATOM 0 HA TYR A 46 -1.360 -0.704 -13.628 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.996 0.041 -12.289 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -2.555 0.558 -11.435 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -0.641 1.397 -13.202 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.838 1.679 -13.827 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -0.275 3.236 -14.773 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.456 3.525 -15.408 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.958 4.668 -16.592 1.00 0.00 H new ATOM 721 N GLY A 47 -0.700 -0.965 -11.040 1.00 0.00 N ATOM 722 CA GLY A 47 0.014 -1.581 -9.852 1.00 0.00 C ATOM 723 C GLY A 47 -0.477 -1.483 -8.398 1.00 0.00 C ATOM 724 O GLY A 47 0.358 -1.475 -7.525 1.00 0.00 O ATOM 0 H GLY A 47 -0.497 0.020 -11.208 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.102 -2.645 -10.071 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.023 -1.170 -9.859 1.00 0.00 H new ATOM 728 N TRP A 48 -1.746 -1.402 -8.125 1.00 0.00 N ATOM 729 CA TRP A 48 -2.248 -1.335 -6.724 1.00 0.00 C ATOM 730 C TRP A 48 -1.451 -0.709 -5.593 1.00 0.00 C ATOM 731 O TRP A 48 -0.785 -1.382 -4.848 1.00 0.00 O ATOM 732 CB TRP A 48 -2.582 -2.743 -6.259 1.00 0.00 C ATOM 733 CG TRP A 48 -3.757 -3.353 -6.980 1.00 0.00 C ATOM 734 CD1 TRP A 48 -3.771 -3.692 -8.265 1.00 0.00 C ATOM 735 CD2 TRP A 48 -4.917 -3.660 -6.413 1.00 0.00 C ATOM 736 NE1 TRP A 48 -4.992 -4.208 -8.398 1.00 0.00 N ATOM 737 CE2 TRP A 48 -5.725 -4.222 -7.333 1.00 0.00 C ATOM 738 CE3 TRP A 48 -5.339 -3.529 -5.130 1.00 0.00 C ATOM 739 CZ2 TRP A 48 -6.954 -4.676 -7.025 1.00 0.00 C ATOM 740 CZ3 TRP A 48 -6.575 -3.988 -4.787 1.00 0.00 C ATOM 741 CH2 TRP A 48 -7.392 -4.571 -5.742 1.00 0.00 C ATOM 0 H TRP A 48 -2.479 -1.379 -8.834 1.00 0.00 H new ATOM 0 HA TRP A 48 -3.063 -0.625 -6.864 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -1.709 -3.380 -6.400 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -2.793 -2.723 -5.190 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -2.995 -3.579 -9.008 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -5.329 -4.571 -9.289 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -4.703 -3.067 -4.390 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -7.582 -5.117 -7.785 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -6.919 -3.897 -3.767 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -8.370 -4.939 -5.469 1.00 0.00 H new ATOM 752 N THR A 49 -1.526 0.571 -5.501 1.00 0.00 N ATOM 753 CA THR A 49 -0.768 1.208 -4.357 1.00 0.00 C ATOM 754 C THR A 49 -1.789 1.545 -3.266 1.00 0.00 C ATOM 755 O THR A 49 -2.948 1.854 -3.487 1.00 0.00 O ATOM 756 CB THR A 49 -0.021 2.549 -4.724 1.00 0.00 C ATOM 757 OG1 THR A 49 -0.745 3.338 -5.649 1.00 0.00 O ATOM 758 CG2 THR A 49 1.283 2.227 -5.413 1.00 0.00 C ATOM 0 H THR A 49 -2.043 1.197 -6.119 1.00 0.00 H new ATOM 0 HA THR A 49 -0.003 0.493 -4.053 1.00 0.00 H new ATOM 0 HB THR A 49 0.108 3.089 -3.786 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.658 2.992 -5.730 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.799 3.153 -5.667 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.909 1.633 -4.747 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.084 1.662 -6.323 1.00 0.00 H new ATOM 766 N ALA A 50 -1.297 1.448 -2.065 1.00 0.00 N ATOM 767 CA ALA A 50 -2.108 1.737 -0.844 1.00 0.00 C ATOM 768 C ALA A 50 -1.396 2.920 -0.164 1.00 0.00 C ATOM 769 O ALA A 50 -0.232 3.150 -0.439 1.00 0.00 O ATOM 770 CB ALA A 50 -2.112 0.469 0.040 1.00 0.00 C ATOM 0 H ALA A 50 -0.335 1.171 -1.870 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.148 1.991 -1.048 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.699 0.655 0.940 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.551 -0.360 -0.515 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.089 0.217 0.320 1.00 0.00 H new ATOM 776 N PHE A 51 -2.061 3.625 0.711 1.00 0.00 N ATOM 777 CA PHE A 51 -1.379 4.791 1.375 1.00 0.00 C ATOM 778 C PHE A 51 -1.025 4.546 2.864 1.00 0.00 C ATOM 779 O PHE A 51 -1.555 3.644 3.478 1.00 0.00 O ATOM 780 CB PHE A 51 -2.336 6.024 1.176 1.00 0.00 C ATOM 781 CG PHE A 51 -3.505 6.110 2.185 1.00 0.00 C ATOM 782 CD1 PHE A 51 -4.553 5.210 2.212 1.00 0.00 C ATOM 783 CD2 PHE A 51 -3.507 7.136 3.105 1.00 0.00 C ATOM 784 CE1 PHE A 51 -5.575 5.335 3.135 1.00 0.00 C ATOM 785 CE2 PHE A 51 -4.522 7.264 4.027 1.00 0.00 C ATOM 786 CZ PHE A 51 -5.560 6.366 4.048 1.00 0.00 C ATOM 0 H PHE A 51 -3.026 3.456 0.995 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.406 4.965 0.916 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.746 6.938 1.246 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -2.748 5.987 0.167 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -4.574 4.397 1.502 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.699 7.852 3.103 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -6.387 4.623 3.140 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -4.501 8.076 4.738 1.00 0.00 H new ATOM 0 HZ PHE A 51 -6.355 6.467 4.772 1.00 0.00 H new ATOM 796 N CYS A 52 -0.145 5.336 3.424 1.00 0.00 N ATOM 797 CA CYS A 52 0.211 5.102 4.878 1.00 0.00 C ATOM 798 C CYS A 52 -0.206 6.212 5.838 1.00 0.00 C ATOM 799 O CYS A 52 -0.723 5.952 6.906 1.00 0.00 O ATOM 800 CB CYS A 52 1.719 4.895 4.984 1.00 0.00 C ATOM 801 SG CYS A 52 2.404 3.402 4.231 1.00 0.00 S ATOM 0 H CYS A 52 0.335 6.111 2.966 1.00 0.00 H new ATOM 0 HA CYS A 52 -0.355 4.222 5.186 1.00 0.00 H new ATOM 0 HB2 CYS A 52 2.211 5.757 4.533 1.00 0.00 H new ATOM 0 HB3 CYS A 52 1.986 4.893 6.041 1.00 0.00 H new ATOM 806 N GLY A 53 0.031 7.422 5.415 1.00 0.00 N ATOM 807 CA GLY A 53 -0.322 8.618 6.252 1.00 0.00 C ATOM 808 C GLY A 53 0.774 9.679 6.224 1.00 0.00 C ATOM 809 O GLY A 53 0.501 10.755 5.740 1.00 0.00 O ATOM 0 H GLY A 53 0.459 7.642 4.516 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -1.255 9.051 5.891 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.495 8.302 7.281 1.00 0.00 H new ATOM 813 N PRO A 54 1.965 9.392 6.713 1.00 0.00 N ATOM 814 CA PRO A 54 3.057 10.416 6.822 1.00 0.00 C ATOM 815 C PRO A 54 3.171 11.364 5.605 1.00 0.00 C ATOM 816 O PRO A 54 2.733 12.496 5.623 1.00 0.00 O ATOM 817 CB PRO A 54 4.315 9.549 7.084 1.00 0.00 C ATOM 818 CG PRO A 54 3.733 8.388 7.939 1.00 0.00 C ATOM 819 CD PRO A 54 2.400 8.051 7.214 1.00 0.00 C ATOM 0 HA PRO A 54 2.875 11.140 7.617 1.00 0.00 H new ATOM 0 HB2 PRO A 54 4.763 9.189 6.158 1.00 0.00 H new ATOM 0 HB3 PRO A 54 5.088 10.102 7.618 1.00 0.00 H new ATOM 0 HG2 PRO A 54 4.405 7.531 7.966 1.00 0.00 H new ATOM 0 HG3 PRO A 54 3.564 8.693 8.972 1.00 0.00 H new ATOM 0 HD2 PRO A 54 2.547 7.341 6.401 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.668 7.612 7.892 1.00 0.00 H new ATOM 827 N ALA A 55 3.757 10.864 4.552 1.00 0.00 N ATOM 828 CA ALA A 55 3.935 11.664 3.311 1.00 0.00 C ATOM 829 C ALA A 55 2.927 11.117 2.276 1.00 0.00 C ATOM 830 O ALA A 55 3.241 10.246 1.485 1.00 0.00 O ATOM 831 CB ALA A 55 5.418 11.493 2.900 1.00 0.00 C ATOM 0 H ALA A 55 4.127 9.915 4.501 1.00 0.00 H new ATOM 0 HA ALA A 55 3.738 12.731 3.418 1.00 0.00 H new ATOM 0 HB1 ALA A 55 5.611 12.061 1.990 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.062 11.860 3.700 1.00 0.00 H new ATOM 0 HB3 ALA A 55 5.627 10.438 2.721 1.00 0.00 H new ATOM 837 N GLY A 56 1.737 11.664 2.376 1.00 0.00 N ATOM 838 CA GLY A 56 0.586 11.293 1.471 1.00 0.00 C ATOM 839 C GLY A 56 -0.808 11.761 1.960 1.00 0.00 C ATOM 840 O GLY A 56 -1.680 10.931 2.151 1.00 0.00 O ATOM 0 H GLY A 56 1.504 12.376 3.068 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.769 11.716 0.483 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.569 10.209 1.355 1.00 0.00 H new ATOM 844 N PRO A 57 -1.002 13.056 2.144 1.00 0.00 N ATOM 845 CA PRO A 57 -2.272 13.575 2.737 1.00 0.00 C ATOM 846 C PRO A 57 -3.458 13.289 1.787 1.00 0.00 C ATOM 847 O PRO A 57 -3.688 13.979 0.811 1.00 0.00 O ATOM 848 CB PRO A 57 -2.022 15.087 2.966 1.00 0.00 C ATOM 849 CG PRO A 57 -0.709 15.439 2.200 1.00 0.00 C ATOM 850 CD PRO A 57 -0.031 14.120 1.795 1.00 0.00 C ATOM 0 HA PRO A 57 -2.538 13.092 3.677 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.858 15.679 2.595 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.922 15.307 4.029 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -0.931 16.040 1.318 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -0.046 16.031 2.831 1.00 0.00 H new ATOM 0 HD2 PRO A 57 0.200 14.108 0.730 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.911 13.983 2.327 1.00 0.00 H new ATOM 858 N ARG A 58 -4.180 12.261 2.125 1.00 0.00 N ATOM 859 CA ARG A 58 -5.357 11.861 1.305 1.00 0.00 C ATOM 860 C ARG A 58 -6.547 11.287 2.148 1.00 0.00 C ATOM 861 O ARG A 58 -6.370 10.669 3.179 1.00 0.00 O ATOM 862 CB ARG A 58 -4.760 10.843 0.261 1.00 0.00 C ATOM 863 CG ARG A 58 -5.496 9.515 0.417 1.00 0.00 C ATOM 864 CD ARG A 58 -5.078 8.461 -0.567 1.00 0.00 C ATOM 865 NE ARG A 58 -6.003 7.284 -0.356 1.00 0.00 N ATOM 866 CZ ARG A 58 -7.262 7.362 -0.115 1.00 0.00 C ATOM 867 NH1 ARG A 58 -7.638 7.730 1.038 1.00 0.00 N ATOM 868 NH2 ARG A 58 -8.059 7.053 -1.055 1.00 0.00 N ATOM 0 H ARG A 58 -4.005 11.675 2.941 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.827 12.714 0.816 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.877 11.226 -0.753 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -3.692 10.708 0.430 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.333 9.139 1.427 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.566 9.691 0.311 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.151 8.834 -1.589 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.039 8.171 -0.407 1.00 0.00 H new ATOM 0 HE ARG A 58 -5.594 6.351 -0.409 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.946 7.957 1.752 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -8.633 7.799 1.252 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -7.691 6.757 -1.959 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -9.067 7.101 -0.906 1.00 0.00 H new ATOM 882 N GLY A 59 -7.736 11.514 1.653 1.00 0.00 N ATOM 883 CA GLY A 59 -9.006 11.024 2.316 1.00 0.00 C ATOM 884 C GLY A 59 -9.838 10.372 1.205 1.00 0.00 C ATOM 885 O GLY A 59 -9.459 9.348 0.669 1.00 0.00 O ATOM 0 H GLY A 59 -7.895 12.034 0.790 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.782 10.308 3.107 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.549 11.849 2.777 1.00 0.00 H new ATOM 889 N GLN A 60 -10.948 10.980 0.882 1.00 0.00 N ATOM 890 CA GLN A 60 -11.819 10.406 -0.197 1.00 0.00 C ATOM 891 C GLN A 60 -11.335 11.029 -1.542 1.00 0.00 C ATOM 892 O GLN A 60 -11.087 10.321 -2.491 1.00 0.00 O ATOM 893 CB GLN A 60 -13.319 10.778 0.075 1.00 0.00 C ATOM 894 CG GLN A 60 -13.860 10.057 1.383 1.00 0.00 C ATOM 895 CD GLN A 60 -15.388 10.178 1.593 1.00 0.00 C ATOM 896 OE1 GLN A 60 -15.949 9.684 2.546 1.00 0.00 O ATOM 897 NE2 GLN A 60 -16.138 10.814 0.757 1.00 0.00 N ATOM 0 H GLN A 60 -11.291 11.840 1.310 1.00 0.00 H new ATOM 0 HA GLN A 60 -11.749 9.319 -0.229 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -13.414 11.858 0.186 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -13.929 10.490 -0.781 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -13.594 9.001 1.337 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -13.352 10.477 2.251 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -15.726 11.253 -0.066 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -17.143 10.878 0.920 1.00 0.00 H new ATOM 906 N ALA A 61 -11.187 12.325 -1.625 1.00 0.00 N ATOM 907 CA ALA A 61 -10.710 13.008 -2.891 1.00 0.00 C ATOM 908 C ALA A 61 -9.593 12.272 -3.732 1.00 0.00 C ATOM 909 O ALA A 61 -9.378 12.561 -4.891 1.00 0.00 O ATOM 910 CB ALA A 61 -10.258 14.419 -2.436 1.00 0.00 C ATOM 0 H ALA A 61 -11.379 12.965 -0.854 1.00 0.00 H new ATOM 0 HA ALA A 61 -11.531 13.015 -3.608 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -9.897 14.981 -3.297 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -11.101 14.944 -1.988 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -9.457 14.326 -1.702 1.00 0.00 H new ATOM 916 N ALA A 62 -8.911 11.340 -3.122 1.00 0.00 N ATOM 917 CA ALA A 62 -7.814 10.552 -3.790 1.00 0.00 C ATOM 918 C ALA A 62 -8.204 9.078 -4.125 1.00 0.00 C ATOM 919 O ALA A 62 -7.362 8.270 -4.462 1.00 0.00 O ATOM 920 CB ALA A 62 -6.590 10.596 -2.834 1.00 0.00 C ATOM 0 H ALA A 62 -9.071 11.077 -2.149 1.00 0.00 H new ATOM 0 HA ALA A 62 -7.596 11.003 -4.758 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.764 10.037 -3.274 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.286 11.631 -2.680 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.860 10.151 -1.876 1.00 0.00 H new ATOM 926 N CYS A 63 -9.471 8.773 -4.035 1.00 0.00 N ATOM 927 CA CYS A 63 -9.986 7.414 -4.313 1.00 0.00 C ATOM 928 C CYS A 63 -10.307 7.366 -5.838 1.00 0.00 C ATOM 929 O CYS A 63 -11.221 6.716 -6.297 1.00 0.00 O ATOM 930 CB CYS A 63 -11.184 7.334 -3.337 1.00 0.00 C ATOM 931 SG CYS A 63 -11.258 6.058 -2.058 1.00 0.00 S ATOM 0 H CYS A 63 -10.193 9.443 -3.769 1.00 0.00 H new ATOM 0 HA CYS A 63 -9.336 6.554 -4.149 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -11.249 8.297 -2.831 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -12.084 7.231 -3.943 1.00 0.00 H new ATOM 936 N GLY A 64 -9.500 8.094 -6.577 1.00 0.00 N ATOM 937 CA GLY A 64 -9.594 8.216 -8.074 1.00 0.00 C ATOM 938 C GLY A 64 -8.308 8.806 -8.687 1.00 0.00 C ATOM 939 O GLY A 64 -8.332 9.400 -9.745 1.00 0.00 O ATOM 0 H GLY A 64 -8.736 8.640 -6.179 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.784 7.234 -8.507 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -10.443 8.849 -8.334 1.00 0.00 H new ATOM 943 N LYS A 65 -7.232 8.597 -7.971 1.00 0.00 N ATOM 944 CA LYS A 65 -5.879 9.081 -8.375 1.00 0.00 C ATOM 945 C LYS A 65 -4.918 7.893 -8.445 1.00 0.00 C ATOM 946 O LYS A 65 -5.202 6.788 -8.019 1.00 0.00 O ATOM 947 CB LYS A 65 -5.337 10.113 -7.339 1.00 0.00 C ATOM 948 CG LYS A 65 -5.945 11.506 -7.602 1.00 0.00 C ATOM 949 CD LYS A 65 -5.221 12.517 -6.670 1.00 0.00 C ATOM 950 CE LYS A 65 -5.596 13.942 -7.061 1.00 0.00 C ATOM 951 NZ LYS A 65 -4.589 14.877 -6.428 1.00 0.00 N ATOM 0 H LYS A 65 -7.239 8.089 -7.086 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.955 9.563 -9.350 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.582 9.787 -6.328 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.250 10.165 -7.402 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.817 11.789 -8.647 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.017 11.500 -7.402 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.497 12.331 -5.632 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.142 12.383 -6.742 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -5.592 14.054 -8.145 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.604 14.179 -6.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -4.821 15.859 -6.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -4.616 14.768 -5.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -3.636 14.647 -6.775 1.00 0.00 H new ATOM 965 N CYS A 66 -3.771 8.169 -8.975 1.00 0.00 N ATOM 966 CA CYS A 66 -2.720 7.139 -9.125 1.00 0.00 C ATOM 967 C CYS A 66 -1.444 7.539 -8.361 1.00 0.00 C ATOM 968 O CYS A 66 -1.307 8.588 -7.757 1.00 0.00 O ATOM 969 CB CYS A 66 -2.559 7.006 -10.638 1.00 0.00 C ATOM 970 SG CYS A 66 -4.124 6.522 -11.407 1.00 0.00 S ATOM 0 H CYS A 66 -3.510 9.092 -9.321 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.969 6.172 -8.688 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -2.220 7.953 -11.057 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -1.793 6.265 -10.863 1.00 0.00 H new ATOM 975 N LEU A 67 -0.513 6.648 -8.399 1.00 0.00 N ATOM 976 CA LEU A 67 0.795 6.865 -7.712 1.00 0.00 C ATOM 977 C LEU A 67 1.938 6.515 -8.694 1.00 0.00 C ATOM 978 O LEU A 67 1.814 5.575 -9.453 1.00 0.00 O ATOM 979 CB LEU A 67 0.739 5.948 -6.438 1.00 0.00 C ATOM 980 CG LEU A 67 1.223 6.695 -5.181 1.00 0.00 C ATOM 981 CD1 LEU A 67 0.902 5.842 -3.930 1.00 0.00 C ATOM 982 CD2 LEU A 67 2.753 6.833 -5.259 1.00 0.00 C ATOM 0 H LEU A 67 -0.594 5.755 -8.885 1.00 0.00 H new ATOM 0 HA LEU A 67 0.981 7.895 -7.406 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.282 5.599 -6.284 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.357 5.064 -6.597 1.00 0.00 H new ATOM 0 HG LEU A 67 0.736 7.668 -5.121 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.242 6.365 -3.036 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.174 5.678 -3.868 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.411 4.881 -4.004 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.116 7.360 -4.377 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.206 5.842 -5.302 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.023 7.394 -6.154 1.00 0.00 H new ATOM 994 N ARG A 68 3.013 7.248 -8.678 1.00 0.00 N ATOM 995 CA ARG A 68 4.143 6.931 -9.607 1.00 0.00 C ATOM 996 C ARG A 68 5.273 6.400 -8.711 1.00 0.00 C ATOM 997 O ARG A 68 5.584 7.023 -7.708 1.00 0.00 O ATOM 998 CB ARG A 68 4.569 8.224 -10.338 1.00 0.00 C ATOM 999 CG ARG A 68 5.931 8.003 -11.072 1.00 0.00 C ATOM 1000 CD ARG A 68 6.453 9.366 -11.505 1.00 0.00 C ATOM 1001 NE ARG A 68 7.799 9.156 -12.147 1.00 0.00 N ATOM 1002 CZ ARG A 68 8.134 9.889 -13.134 1.00 0.00 C ATOM 1003 NH1 ARG A 68 7.534 9.698 -14.237 1.00 0.00 N ATOM 1004 NH2 ARG A 68 9.042 10.751 -12.912 1.00 0.00 N ATOM 0 H ARG A 68 3.163 8.051 -8.067 1.00 0.00 H new ATOM 0 HA ARG A 68 3.876 6.198 -10.369 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.803 8.514 -11.057 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.661 9.042 -9.623 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.646 7.513 -10.411 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.798 7.353 -11.937 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.763 9.835 -12.207 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.538 10.033 -10.647 1.00 0.00 H new ATOM 0 HE ARG A 68 8.433 8.438 -11.797 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.814 8.979 -14.308 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.772 10.263 -15.052 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.458 10.826 -11.984 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.354 11.368 -13.662 1.00 0.00 H new ATOM 1018 N VAL A 69 5.841 5.281 -9.093 1.00 0.00 N ATOM 1019 CA VAL A 69 6.958 4.641 -8.328 1.00 0.00 C ATOM 1020 C VAL A 69 8.179 4.568 -9.253 1.00 0.00 C ATOM 1021 O VAL A 69 8.103 3.989 -10.323 1.00 0.00 O ATOM 1022 CB VAL A 69 6.570 3.200 -7.897 1.00 0.00 C ATOM 1023 CG1 VAL A 69 7.703 2.556 -7.070 1.00 0.00 C ATOM 1024 CG2 VAL A 69 5.313 3.220 -7.047 1.00 0.00 C ATOM 0 H VAL A 69 5.567 4.769 -9.931 1.00 0.00 H new ATOM 0 HA VAL A 69 7.171 5.227 -7.434 1.00 0.00 H new ATOM 0 HB VAL A 69 6.398 2.620 -8.804 1.00 0.00 H new ATOM 0 HG11 VAL A 69 7.412 1.547 -6.778 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.612 2.512 -7.670 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.887 3.154 -6.177 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.056 2.202 -6.754 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.487 3.822 -6.155 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.492 3.651 -7.621 1.00 0.00 H new ATOM 1034 N THR A 70 9.251 5.153 -8.782 1.00 0.00 N ATOM 1035 CA THR A 70 10.545 5.175 -9.568 1.00 0.00 C ATOM 1036 C THR A 70 11.651 4.516 -8.703 1.00 0.00 C ATOM 1037 O THR A 70 11.611 4.607 -7.485 1.00 0.00 O ATOM 1038 CB THR A 70 10.894 6.676 -9.938 1.00 0.00 C ATOM 1039 OG1 THR A 70 10.078 7.014 -11.071 1.00 0.00 O ATOM 1040 CG2 THR A 70 12.345 6.817 -10.438 1.00 0.00 C ATOM 0 H THR A 70 9.296 5.624 -7.878 1.00 0.00 H new ATOM 0 HA THR A 70 10.458 4.615 -10.499 1.00 0.00 H new ATOM 0 HB THR A 70 10.740 7.298 -9.056 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.652 7.241 -11.832 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.546 7.860 -10.682 1.00 0.00 H new ATOM 0 HG22 THR A 70 13.032 6.487 -9.659 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.484 6.203 -11.328 1.00 0.00 H new ATOM 1048 N ASN A 71 12.595 3.886 -9.360 1.00 0.00 N ATOM 1049 CA ASN A 71 13.748 3.167 -8.695 1.00 0.00 C ATOM 1050 C ASN A 71 15.196 3.778 -8.805 1.00 0.00 C ATOM 1051 O ASN A 71 15.934 3.413 -9.712 1.00 0.00 O ATOM 1052 CB ASN A 71 13.708 1.751 -9.285 1.00 0.00 C ATOM 1053 CG ASN A 71 14.696 0.870 -8.545 1.00 0.00 C ATOM 1054 OD1 ASN A 71 14.533 0.607 -7.382 1.00 0.00 O ATOM 1055 ND2 ASN A 71 15.738 0.373 -9.110 1.00 0.00 N ATOM 0 H ASN A 71 12.620 3.835 -10.378 1.00 0.00 H new ATOM 0 HA ASN A 71 13.590 3.239 -7.619 1.00 0.00 H new ATOM 0 HB2 ASN A 71 12.703 1.339 -9.202 1.00 0.00 H new ATOM 0 HB3 ASN A 71 13.954 1.780 -10.347 1.00 0.00 H new ATOM 0 HD21 ASN A 71 16.378 -0.213 -8.574 1.00 0.00 H new ATOM 0 HD22 ASN A 71 15.924 0.564 -10.094 1.00 0.00 H new ATOM 1062 N PRO A 72 15.573 4.650 -7.882 1.00 0.00 N ATOM 1063 CA PRO A 72 16.786 5.521 -8.017 1.00 0.00 C ATOM 1064 C PRO A 72 18.052 4.804 -8.556 1.00 0.00 C ATOM 1065 O PRO A 72 18.851 5.376 -9.271 1.00 0.00 O ATOM 1066 CB PRO A 72 17.036 6.094 -6.604 1.00 0.00 C ATOM 1067 CG PRO A 72 15.915 5.529 -5.679 1.00 0.00 C ATOM 1068 CD PRO A 72 14.855 4.873 -6.593 1.00 0.00 C ATOM 0 HA PRO A 72 16.593 6.288 -8.767 1.00 0.00 H new ATOM 0 HB2 PRO A 72 18.021 5.803 -6.238 1.00 0.00 H new ATOM 0 HB3 PRO A 72 17.011 7.184 -6.619 1.00 0.00 H new ATOM 0 HG2 PRO A 72 16.324 4.800 -4.980 1.00 0.00 H new ATOM 0 HG3 PRO A 72 15.469 6.326 -5.084 1.00 0.00 H new ATOM 0 HD2 PRO A 72 14.491 3.936 -6.172 1.00 0.00 H new ATOM 0 HD3 PRO A 72 13.988 5.520 -6.726 1.00 0.00 H new ATOM 1076 N ALA A 73 18.188 3.553 -8.194 1.00 0.00 N ATOM 1077 CA ALA A 73 19.364 2.733 -8.639 1.00 0.00 C ATOM 1078 C ALA A 73 19.389 2.335 -10.131 1.00 0.00 C ATOM 1079 O ALA A 73 20.453 2.307 -10.723 1.00 0.00 O ATOM 1080 CB ALA A 73 19.392 1.476 -7.753 1.00 0.00 C ATOM 0 H ALA A 73 17.525 3.055 -7.600 1.00 0.00 H new ATOM 0 HA ALA A 73 20.250 3.358 -8.528 1.00 0.00 H new ATOM 0 HB1 ALA A 73 20.234 0.847 -8.041 1.00 0.00 H new ATOM 0 HB2 ALA A 73 19.499 1.769 -6.709 1.00 0.00 H new ATOM 0 HB3 ALA A 73 18.463 0.920 -7.881 1.00 0.00 H new ATOM 1086 N THR A 74 18.255 2.050 -10.705 1.00 0.00 N ATOM 1087 CA THR A 74 18.257 1.654 -12.164 1.00 0.00 C ATOM 1088 C THR A 74 17.713 2.764 -13.032 1.00 0.00 C ATOM 1089 O THR A 74 18.069 2.885 -14.187 1.00 0.00 O ATOM 1090 CB THR A 74 17.368 0.442 -12.440 1.00 0.00 C ATOM 1091 OG1 THR A 74 16.128 0.851 -11.890 1.00 0.00 O ATOM 1092 CG2 THR A 74 17.752 -0.803 -11.625 1.00 0.00 C ATOM 0 H THR A 74 17.341 2.069 -10.252 1.00 0.00 H new ATOM 0 HA THR A 74 19.298 1.429 -12.396 1.00 0.00 H new ATOM 0 HB THR A 74 17.410 0.181 -13.497 1.00 0.00 H new ATOM 0 HG1 THR A 74 15.513 0.088 -11.866 1.00 0.00 H new ATOM 0 HG21 THR A 74 17.078 -1.623 -11.873 1.00 0.00 H new ATOM 0 HG22 THR A 74 18.776 -1.091 -11.862 1.00 0.00 H new ATOM 0 HG23 THR A 74 17.675 -0.579 -10.561 1.00 0.00 H new ATOM 1100 N GLY A 75 16.848 3.540 -12.447 1.00 0.00 N ATOM 1101 CA GLY A 75 16.228 4.667 -13.202 1.00 0.00 C ATOM 1102 C GLY A 75 14.900 4.140 -13.742 1.00 0.00 C ATOM 1103 O GLY A 75 14.167 4.870 -14.378 1.00 0.00 O ATOM 0 H GLY A 75 16.542 3.445 -11.479 1.00 0.00 H new ATOM 0 HA2 GLY A 75 16.070 5.529 -12.554 1.00 0.00 H new ATOM 0 HA3 GLY A 75 16.876 4.994 -14.015 1.00 0.00 H new ATOM 1107 N ALA A 76 14.616 2.886 -13.476 1.00 0.00 N ATOM 1108 CA ALA A 76 13.335 2.315 -13.982 1.00 0.00 C ATOM 1109 C ALA A 76 12.180 2.860 -13.135 1.00 0.00 C ATOM 1110 O ALA A 76 12.367 3.283 -12.009 1.00 0.00 O ATOM 1111 CB ALA A 76 13.421 0.790 -13.868 1.00 0.00 C ATOM 0 H ALA A 76 15.205 2.248 -12.941 1.00 0.00 H new ATOM 0 HA ALA A 76 13.161 2.592 -15.022 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.495 0.345 -14.232 1.00 0.00 H new ATOM 0 HB2 ALA A 76 14.257 0.427 -14.465 1.00 0.00 H new ATOM 0 HB3 ALA A 76 13.572 0.511 -12.825 1.00 0.00 H new ATOM 1117 N GLN A 77 11.005 2.851 -13.700 1.00 0.00 N ATOM 1118 CA GLN A 77 9.802 3.358 -12.968 1.00 0.00 C ATOM 1119 C GLN A 77 8.500 2.816 -13.576 1.00 0.00 C ATOM 1120 O GLN A 77 8.483 2.411 -14.721 1.00 0.00 O ATOM 1121 CB GLN A 77 9.822 4.904 -13.021 1.00 0.00 C ATOM 1122 CG GLN A 77 9.860 5.416 -14.496 1.00 0.00 C ATOM 1123 CD GLN A 77 9.681 6.930 -14.581 1.00 0.00 C ATOM 1124 OE1 GLN A 77 9.671 7.667 -13.619 1.00 0.00 O ATOM 1125 NE2 GLN A 77 9.536 7.470 -15.741 1.00 0.00 N ATOM 0 H GLN A 77 10.821 2.512 -14.644 1.00 0.00 H new ATOM 0 HA GLN A 77 9.837 3.012 -11.935 1.00 0.00 H new ATOM 0 HB2 GLN A 77 8.939 5.300 -12.518 1.00 0.00 H new ATOM 0 HB3 GLN A 77 10.691 5.278 -12.480 1.00 0.00 H new ATOM 0 HG2 GLN A 77 10.810 5.137 -14.952 1.00 0.00 H new ATOM 0 HG3 GLN A 77 9.074 4.925 -15.070 1.00 0.00 H new ATOM 0 HE21 GLN A 77 9.538 6.888 -16.578 1.00 0.00 H new ATOM 0 HE22 GLN A 77 9.419 8.480 -15.822 1.00 0.00 H new ATOM 1134 N ILE A 78 7.470 2.821 -12.776 1.00 0.00 N ATOM 1135 CA ILE A 78 6.108 2.350 -13.164 1.00 0.00 C ATOM 1136 C ILE A 78 4.990 3.144 -12.413 1.00 0.00 C ATOM 1137 O ILE A 78 5.261 3.774 -11.406 1.00 0.00 O ATOM 1138 CB ILE A 78 6.151 0.858 -12.839 1.00 0.00 C ATOM 1139 CG1 ILE A 78 5.039 0.077 -13.580 1.00 0.00 C ATOM 1140 CG2 ILE A 78 6.025 0.606 -11.335 1.00 0.00 C ATOM 1141 CD1 ILE A 78 5.701 -0.987 -14.471 1.00 0.00 C ATOM 0 H ILE A 78 7.522 3.152 -11.813 1.00 0.00 H new ATOM 0 HA ILE A 78 5.860 2.519 -14.212 1.00 0.00 H new ATOM 0 HB ILE A 78 7.122 0.498 -13.180 1.00 0.00 H new ATOM 0 HG12 ILE A 78 4.366 -0.394 -12.864 1.00 0.00 H new ATOM 0 HG13 ILE A 78 4.437 0.756 -14.184 1.00 0.00 H new ATOM 0 HG21 ILE A 78 6.060 -0.466 -11.142 1.00 0.00 H new ATOM 0 HG22 ILE A 78 6.848 1.095 -10.814 1.00 0.00 H new ATOM 0 HG23 ILE A 78 5.078 1.009 -10.977 1.00 0.00 H new ATOM 0 HD11 ILE A 78 4.931 -1.548 -15.001 1.00 0.00 H new ATOM 0 HD12 ILE A 78 6.357 -0.500 -15.192 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.284 -1.668 -13.852 1.00 0.00 H new ATOM 1153 N THR A 79 3.769 3.097 -12.889 1.00 0.00 N ATOM 1154 CA THR A 79 2.633 3.842 -12.200 1.00 0.00 C ATOM 1155 C THR A 79 1.561 2.863 -11.680 1.00 0.00 C ATOM 1156 O THR A 79 1.282 1.842 -12.275 1.00 0.00 O ATOM 1157 CB THR A 79 1.989 4.849 -13.197 1.00 0.00 C ATOM 1158 OG1 THR A 79 2.925 5.915 -13.241 1.00 0.00 O ATOM 1159 CG2 THR A 79 0.776 5.591 -12.637 1.00 0.00 C ATOM 0 H THR A 79 3.496 2.579 -13.724 1.00 0.00 H new ATOM 0 HA THR A 79 3.043 4.381 -11.346 1.00 0.00 H new ATOM 0 HB THR A 79 1.729 4.302 -14.103 1.00 0.00 H new ATOM 0 HG1 THR A 79 2.603 6.608 -13.854 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.386 6.273 -13.393 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.004 4.872 -12.364 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.072 6.158 -11.755 1.00 0.00 H new ATOM 1167 N ALA A 80 0.987 3.225 -10.567 1.00 0.00 N ATOM 1168 CA ALA A 80 -0.069 2.420 -9.882 1.00 0.00 C ATOM 1169 C ALA A 80 -1.357 3.204 -9.528 1.00 0.00 C ATOM 1170 O ALA A 80 -1.413 4.396 -9.711 1.00 0.00 O ATOM 1171 CB ALA A 80 0.612 1.850 -8.645 1.00 0.00 C ATOM 0 H ALA A 80 1.219 4.090 -10.079 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.441 1.646 -10.554 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -0.100 1.244 -8.085 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.457 1.231 -8.947 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.967 2.667 -8.016 1.00 0.00 H new ATOM 1177 N ARG A 81 -2.317 2.474 -9.013 1.00 0.00 N ATOM 1178 CA ARG A 81 -3.677 2.997 -8.587 1.00 0.00 C ATOM 1179 C ARG A 81 -3.719 3.211 -7.049 1.00 0.00 C ATOM 1180 O ARG A 81 -3.203 2.339 -6.386 1.00 0.00 O ATOM 1181 CB ARG A 81 -4.721 1.920 -9.019 1.00 0.00 C ATOM 1182 CG ARG A 81 -6.128 2.226 -8.428 1.00 0.00 C ATOM 1183 CD ARG A 81 -7.119 1.061 -8.685 1.00 0.00 C ATOM 1184 NE ARG A 81 -6.564 -0.176 -8.025 1.00 0.00 N ATOM 1185 CZ ARG A 81 -6.508 -1.279 -8.655 1.00 0.00 C ATOM 1186 NH1 ARG A 81 -7.518 -2.054 -8.626 1.00 0.00 N ATOM 1187 NH2 ARG A 81 -5.427 -1.497 -9.274 1.00 0.00 N ATOM 0 H ARG A 81 -2.213 1.471 -8.858 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.892 3.959 -9.051 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.781 1.885 -10.107 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -4.391 0.936 -8.686 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -6.043 2.402 -7.356 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -6.519 3.142 -8.872 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -8.102 1.301 -8.280 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -7.246 0.898 -9.755 1.00 0.00 H new ATOM 0 HE ARG A 81 -6.230 -0.127 -7.063 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -8.352 -1.785 -8.104 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -7.493 -2.943 -9.125 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -4.675 -0.809 -9.245 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -5.307 -2.361 -9.803 1.00 0.00 H new ATOM 1201 N ILE A 82 -4.270 4.274 -6.511 1.00 0.00 N ATOM 1202 CA ILE A 82 -4.318 4.469 -5.001 1.00 0.00 C ATOM 1203 C ILE A 82 -5.639 3.817 -4.509 1.00 0.00 C ATOM 1204 O ILE A 82 -6.686 4.354 -4.795 1.00 0.00 O ATOM 1205 CB ILE A 82 -4.299 6.006 -4.707 1.00 0.00 C ATOM 1206 CG1 ILE A 82 -2.921 6.561 -5.164 1.00 0.00 C ATOM 1207 CG2 ILE A 82 -4.550 6.303 -3.199 1.00 0.00 C ATOM 1208 CD1 ILE A 82 -2.774 8.067 -4.846 1.00 0.00 C ATOM 0 H ILE A 82 -4.696 5.029 -7.048 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.470 4.013 -4.490 1.00 0.00 H new ATOM 0 HB ILE A 82 -5.103 6.496 -5.256 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.124 6.006 -4.670 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.803 6.403 -6.236 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.530 7.380 -3.032 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.524 5.909 -2.908 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.773 5.828 -2.600 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.797 8.416 -5.181 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -3.555 8.626 -5.361 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.866 8.223 -3.771 1.00 0.00 H new ATOM 1220 N VAL A 83 -5.620 2.702 -3.819 1.00 0.00 N ATOM 1221 CA VAL A 83 -6.912 2.061 -3.349 1.00 0.00 C ATOM 1222 C VAL A 83 -7.068 1.656 -1.845 1.00 0.00 C ATOM 1223 O VAL A 83 -8.104 1.898 -1.242 1.00 0.00 O ATOM 1224 CB VAL A 83 -7.093 0.851 -4.315 1.00 0.00 C ATOM 1225 CG1 VAL A 83 -6.093 -0.279 -3.978 1.00 0.00 C ATOM 1226 CG2 VAL A 83 -8.529 0.316 -4.306 1.00 0.00 C ATOM 0 H VAL A 83 -4.772 2.201 -3.556 1.00 0.00 H new ATOM 0 HA VAL A 83 -7.697 2.817 -3.388 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.885 1.214 -5.322 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.240 -1.112 -4.666 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.074 0.096 -4.074 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.259 -0.619 -2.956 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -8.608 -0.526 -4.994 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -8.789 -0.012 -3.299 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -9.213 1.105 -4.619 1.00 0.00 H new ATOM 1236 N ASP A 84 -6.047 1.046 -1.297 1.00 0.00 N ATOM 1237 CA ASP A 84 -6.099 0.613 0.129 1.00 0.00 C ATOM 1238 C ASP A 84 -5.101 1.372 1.061 1.00 0.00 C ATOM 1239 O ASP A 84 -4.541 2.389 0.695 1.00 0.00 O ATOM 1240 CB ASP A 84 -5.868 -0.913 0.028 1.00 0.00 C ATOM 1241 CG ASP A 84 -6.078 -1.561 1.376 1.00 0.00 C ATOM 1242 OD1 ASP A 84 -7.209 -1.523 1.822 1.00 0.00 O ATOM 1243 OD2 ASP A 84 -5.074 -2.033 1.869 1.00 0.00 O ATOM 0 H ASP A 84 -5.176 0.829 -1.781 1.00 0.00 H new ATOM 0 HA ASP A 84 -7.043 0.854 0.617 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -6.553 -1.345 -0.702 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -4.857 -1.113 -0.326 1.00 0.00 H new ATOM 1248 N GLN A 85 -4.901 0.847 2.245 1.00 0.00 N ATOM 1249 CA GLN A 85 -3.977 1.447 3.277 1.00 0.00 C ATOM 1250 C GLN A 85 -2.829 0.458 3.673 1.00 0.00 C ATOM 1251 O GLN A 85 -3.006 -0.742 3.701 1.00 0.00 O ATOM 1252 CB GLN A 85 -4.866 1.787 4.462 1.00 0.00 C ATOM 1253 CG GLN A 85 -4.165 2.708 5.488 1.00 0.00 C ATOM 1254 CD GLN A 85 -5.035 2.727 6.739 1.00 0.00 C ATOM 1255 OE1 GLN A 85 -5.207 1.736 7.408 1.00 0.00 O ATOM 1256 NE2 GLN A 85 -5.637 3.794 7.146 1.00 0.00 N ATOM 0 H GLN A 85 -5.358 -0.010 2.557 1.00 0.00 H new ATOM 0 HA GLN A 85 -3.468 2.331 2.894 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -5.773 2.274 4.103 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -5.173 0.866 4.957 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -3.166 2.338 5.719 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -4.047 3.714 5.085 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -5.535 4.666 6.628 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -6.215 3.765 7.986 1.00 0.00 H new ATOM 1265 N CYS A 86 -1.670 0.957 4.000 1.00 0.00 N ATOM 1266 CA CYS A 86 -0.539 0.037 4.373 1.00 0.00 C ATOM 1267 C CYS A 86 -0.585 -0.510 5.830 1.00 0.00 C ATOM 1268 O CYS A 86 0.406 -0.593 6.529 1.00 0.00 O ATOM 1269 CB CYS A 86 0.776 0.834 4.077 1.00 0.00 C ATOM 1270 SG CYS A 86 1.559 1.913 5.306 1.00 0.00 S ATOM 0 H CYS A 86 -1.450 1.953 4.028 1.00 0.00 H new ATOM 0 HA CYS A 86 -0.609 -0.876 3.781 1.00 0.00 H new ATOM 0 HB2 CYS A 86 1.526 0.100 3.784 1.00 0.00 H new ATOM 0 HB3 CYS A 86 0.576 1.452 3.202 1.00 0.00 H new ATOM 1275 N ALA A 87 -1.779 -0.893 6.209 1.00 0.00 N ATOM 1276 CA ALA A 87 -2.115 -1.459 7.555 1.00 0.00 C ATOM 1277 C ALA A 87 -0.915 -2.034 8.330 1.00 0.00 C ATOM 1278 O ALA A 87 -0.614 -1.612 9.429 1.00 0.00 O ATOM 1279 CB ALA A 87 -3.194 -2.537 7.320 1.00 0.00 C ATOM 0 H ALA A 87 -2.590 -0.830 5.594 1.00 0.00 H new ATOM 0 HA ALA A 87 -2.470 -0.650 8.193 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -3.476 -2.983 8.274 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.070 -2.080 6.860 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.799 -3.310 6.660 1.00 0.00 H new ATOM 1285 N ASN A 88 -0.285 -2.991 7.707 1.00 0.00 N ATOM 1286 CA ASN A 88 0.909 -3.670 8.309 1.00 0.00 C ATOM 1287 C ASN A 88 2.129 -3.674 7.353 1.00 0.00 C ATOM 1288 O ASN A 88 2.870 -4.638 7.284 1.00 0.00 O ATOM 1289 CB ASN A 88 0.462 -5.115 8.681 1.00 0.00 C ATOM 1290 CG ASN A 88 -0.288 -5.706 7.504 1.00 0.00 C ATOM 1291 OD1 ASN A 88 -0.070 -5.358 6.371 1.00 0.00 O ATOM 1292 ND2 ASN A 88 -1.190 -6.607 7.686 1.00 0.00 N ATOM 0 H ASN A 88 -0.549 -3.342 6.786 1.00 0.00 H new ATOM 0 HA ASN A 88 1.245 -3.128 9.193 1.00 0.00 H new ATOM 0 HB2 ASN A 88 1.329 -5.729 8.924 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -0.175 -5.098 9.566 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -1.689 -6.998 6.887 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -1.405 -6.930 8.629 1.00 0.00 H new ATOM 1299 N GLY A 89 2.308 -2.593 6.636 1.00 0.00 N ATOM 1300 CA GLY A 89 3.464 -2.489 5.684 1.00 0.00 C ATOM 1301 C GLY A 89 3.261 -3.208 4.341 1.00 0.00 C ATOM 1302 O GLY A 89 3.793 -4.281 4.141 1.00 0.00 O ATOM 0 H GLY A 89 1.702 -1.773 6.667 1.00 0.00 H new ATOM 0 HA2 GLY A 89 3.662 -1.435 5.489 1.00 0.00 H new ATOM 0 HA3 GLY A 89 4.352 -2.896 6.167 1.00 0.00 H new ATOM 1306 N GLY A 90 2.498 -2.630 3.453 1.00 0.00 N ATOM 1307 CA GLY A 90 2.246 -3.257 2.105 1.00 0.00 C ATOM 1308 C GLY A 90 1.498 -2.337 1.135 1.00 0.00 C ATOM 1309 O GLY A 90 0.341 -2.043 1.345 1.00 0.00 O ATOM 0 H GLY A 90 2.028 -1.737 3.599 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.200 -3.542 1.661 1.00 0.00 H new ATOM 0 HA3 GLY A 90 1.672 -4.173 2.241 1.00 0.00 H new ATOM 1313 N LEU A 91 2.184 -1.906 0.107 1.00 0.00 N ATOM 1314 CA LEU A 91 1.589 -0.992 -0.948 1.00 0.00 C ATOM 1315 C LEU A 91 0.528 -1.667 -1.833 1.00 0.00 C ATOM 1316 O LEU A 91 -0.611 -1.246 -1.931 1.00 0.00 O ATOM 1317 CB LEU A 91 2.736 -0.471 -1.842 1.00 0.00 C ATOM 1318 CG LEU A 91 3.556 0.623 -1.128 1.00 0.00 C ATOM 1319 CD1 LEU A 91 5.052 0.361 -1.352 1.00 0.00 C ATOM 1320 CD2 LEU A 91 3.210 1.976 -1.767 1.00 0.00 C ATOM 0 H LEU A 91 3.160 -2.150 -0.060 1.00 0.00 H new ATOM 0 HA LEU A 91 1.079 -0.185 -0.422 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.391 -1.299 -2.115 1.00 0.00 H new ATOM 0 HB3 LEU A 91 2.324 -0.072 -2.769 1.00 0.00 H new ATOM 0 HG LEU A 91 3.330 0.622 -0.062 1.00 0.00 H new ATOM 0 HD11 LEU A 91 5.636 1.132 -0.849 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.315 -0.616 -0.946 1.00 0.00 H new ATOM 0 HD13 LEU A 91 5.269 0.381 -2.420 1.00 0.00 H new ATOM 0 HD21 LEU A 91 3.779 2.766 -1.277 1.00 0.00 H new ATOM 0 HD22 LEU A 91 3.461 1.952 -2.827 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.144 2.171 -1.651 1.00 0.00 H new ATOM 1332 N ASP A 92 1.009 -2.705 -2.443 1.00 0.00 N ATOM 1333 CA ASP A 92 0.177 -3.527 -3.349 1.00 0.00 C ATOM 1334 C ASP A 92 -0.144 -4.800 -2.625 1.00 0.00 C ATOM 1335 O ASP A 92 0.447 -5.136 -1.609 1.00 0.00 O ATOM 1336 CB ASP A 92 0.957 -3.826 -4.693 1.00 0.00 C ATOM 1337 CG ASP A 92 2.462 -4.009 -4.534 1.00 0.00 C ATOM 1338 OD1 ASP A 92 2.905 -4.714 -3.652 1.00 0.00 O ATOM 1339 OD2 ASP A 92 3.093 -3.387 -5.367 1.00 0.00 O ATOM 0 H ASP A 92 1.972 -3.026 -2.348 1.00 0.00 H new ATOM 0 HA ASP A 92 -0.740 -3.001 -3.617 1.00 0.00 H new ATOM 0 HB2 ASP A 92 0.542 -4.727 -5.144 1.00 0.00 H new ATOM 0 HB3 ASP A 92 0.777 -3.008 -5.390 1.00 0.00 H new ATOM 1344 N LEU A 93 -1.107 -5.475 -3.193 1.00 0.00 N ATOM 1345 CA LEU A 93 -1.473 -6.759 -2.508 1.00 0.00 C ATOM 1346 C LEU A 93 -1.315 -8.057 -3.324 1.00 0.00 C ATOM 1347 O LEU A 93 -1.426 -9.117 -2.745 1.00 0.00 O ATOM 1348 CB LEU A 93 -2.967 -6.593 -1.910 1.00 0.00 C ATOM 1349 CG LEU A 93 -4.129 -5.877 -2.709 1.00 0.00 C ATOM 1350 CD1 LEU A 93 -4.164 -4.349 -2.357 1.00 0.00 C ATOM 1351 CD2 LEU A 93 -3.956 -6.090 -4.227 1.00 0.00 C ATOM 0 H LEU A 93 -1.625 -5.225 -4.036 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.735 -6.908 -1.720 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.322 -7.597 -1.676 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -2.866 -6.062 -0.964 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.081 -6.320 -2.415 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.968 -3.866 -2.913 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -4.337 -4.226 -1.288 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.212 -3.892 -2.625 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.765 -5.590 -4.759 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.000 -5.674 -4.546 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -3.980 -7.157 -4.450 1.00 0.00 H new ATOM 1363 N ASP A 94 -1.078 -8.010 -4.608 1.00 0.00 N ATOM 1364 CA ASP A 94 -0.918 -9.292 -5.385 1.00 0.00 C ATOM 1365 C ASP A 94 0.581 -9.707 -5.341 1.00 0.00 C ATOM 1366 O ASP A 94 1.272 -9.388 -4.395 1.00 0.00 O ATOM 1367 CB ASP A 94 -1.500 -8.995 -6.818 1.00 0.00 C ATOM 1368 CG ASP A 94 -1.971 -10.284 -7.502 1.00 0.00 C ATOM 1369 OD1 ASP A 94 -1.081 -10.973 -7.974 1.00 0.00 O ATOM 1370 OD2 ASP A 94 -3.182 -10.479 -7.487 1.00 0.00 O ATOM 0 H ASP A 94 -0.988 -7.154 -5.155 1.00 0.00 H new ATOM 0 HA ASP A 94 -1.458 -10.147 -4.979 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -2.333 -8.297 -6.738 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -0.738 -8.513 -7.430 1.00 0.00 H new ATOM 1375 N TRP A 95 1.075 -10.401 -6.330 1.00 0.00 N ATOM 1376 CA TRP A 95 2.520 -10.802 -6.321 1.00 0.00 C ATOM 1377 C TRP A 95 3.362 -9.571 -6.702 1.00 0.00 C ATOM 1378 O TRP A 95 3.984 -9.541 -7.742 1.00 0.00 O ATOM 1379 CB TRP A 95 2.685 -11.959 -7.340 1.00 0.00 C ATOM 1380 CG TRP A 95 4.182 -12.245 -7.586 1.00 0.00 C ATOM 1381 CD1 TRP A 95 5.138 -12.306 -6.618 1.00 0.00 C ATOM 1382 CD2 TRP A 95 4.756 -12.470 -8.791 1.00 0.00 C ATOM 1383 NE1 TRP A 95 6.231 -12.565 -7.310 1.00 0.00 N ATOM 1384 CE2 TRP A 95 6.106 -12.683 -8.622 1.00 0.00 C ATOM 1385 CE3 TRP A 95 4.209 -12.511 -10.060 1.00 0.00 C ATOM 1386 CZ2 TRP A 95 6.912 -12.938 -9.714 1.00 0.00 C ATOM 1387 CZ3 TRP A 95 5.013 -12.766 -11.156 1.00 0.00 C ATOM 1388 CH2 TRP A 95 6.367 -12.980 -10.985 1.00 0.00 C ATOM 0 H TRP A 95 0.545 -10.710 -7.145 1.00 0.00 H new ATOM 0 HA TRP A 95 2.853 -11.147 -5.342 1.00 0.00 H new ATOM 0 HB2 TRP A 95 2.193 -12.856 -6.965 1.00 0.00 H new ATOM 0 HB3 TRP A 95 2.198 -11.698 -8.280 1.00 0.00 H new ATOM 0 HD1 TRP A 95 5.029 -12.175 -5.552 1.00 0.00 H new ATOM 0 HE1 TRP A 95 7.136 -12.670 -6.852 1.00 0.00 H new ATOM 0 HE3 TRP A 95 3.151 -12.343 -10.196 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 7.970 -13.105 -9.576 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 4.582 -12.798 -12.146 1.00 0.00 H new ATOM 0 HH2 TRP A 95 6.997 -13.179 -11.839 1.00 0.00 H new ATOM 1399 N ASP A 96 3.376 -8.581 -5.845 1.00 0.00 N ATOM 1400 CA ASP A 96 4.145 -7.318 -6.090 1.00 0.00 C ATOM 1401 C ASP A 96 4.321 -6.943 -7.562 1.00 0.00 C ATOM 1402 O ASP A 96 5.415 -6.699 -8.052 1.00 0.00 O ATOM 1403 CB ASP A 96 5.487 -7.485 -5.466 1.00 0.00 C ATOM 1404 CG ASP A 96 5.409 -7.327 -3.994 1.00 0.00 C ATOM 1405 OD1 ASP A 96 4.607 -8.040 -3.417 1.00 0.00 O ATOM 1406 OD2 ASP A 96 6.182 -6.503 -3.562 1.00 0.00 O ATOM 0 H ASP A 96 2.871 -8.595 -4.959 1.00 0.00 H new ATOM 0 HA ASP A 96 3.567 -6.503 -5.653 1.00 0.00 H new ATOM 0 HB2 ASP A 96 5.886 -8.470 -5.709 1.00 0.00 H new ATOM 0 HB3 ASP A 96 6.178 -6.750 -5.879 1.00 0.00 H new ATOM 1411 N THR A 97 3.195 -6.891 -8.226 1.00 0.00 N ATOM 1412 CA THR A 97 3.229 -6.542 -9.681 1.00 0.00 C ATOM 1413 C THR A 97 4.171 -5.379 -9.949 1.00 0.00 C ATOM 1414 O THR A 97 4.677 -5.298 -11.044 1.00 0.00 O ATOM 1415 CB THR A 97 1.833 -6.155 -10.236 1.00 0.00 C ATOM 1416 OG1 THR A 97 1.468 -4.942 -9.602 1.00 0.00 O ATOM 1417 CG2 THR A 97 0.732 -7.091 -9.771 1.00 0.00 C ATOM 0 H THR A 97 2.270 -7.071 -7.835 1.00 0.00 H new ATOM 0 HA THR A 97 3.578 -7.443 -10.186 1.00 0.00 H new ATOM 0 HB THR A 97 1.914 -6.145 -11.323 1.00 0.00 H new ATOM 0 HG1 THR A 97 0.498 -4.820 -9.664 1.00 0.00 H new ATOM 0 HG21 THR A 97 -0.221 -6.769 -10.192 1.00 0.00 H new ATOM 0 HG22 THR A 97 0.952 -8.105 -10.104 1.00 0.00 H new ATOM 0 HG23 THR A 97 0.673 -7.071 -8.683 1.00 0.00 H new ATOM 1425 N VAL A 98 4.338 -4.511 -8.982 1.00 0.00 N ATOM 1426 CA VAL A 98 5.262 -3.334 -9.127 1.00 0.00 C ATOM 1427 C VAL A 98 6.685 -3.716 -8.667 1.00 0.00 C ATOM 1428 O VAL A 98 7.587 -3.709 -9.481 1.00 0.00 O ATOM 1429 CB VAL A 98 4.720 -2.139 -8.292 1.00 0.00 C ATOM 1430 CG1 VAL A 98 5.748 -0.975 -8.238 1.00 0.00 C ATOM 1431 CG2 VAL A 98 3.455 -1.591 -8.963 1.00 0.00 C ATOM 0 H VAL A 98 3.866 -4.567 -8.080 1.00 0.00 H new ATOM 0 HA VAL A 98 5.308 -3.039 -10.175 1.00 0.00 H new ATOM 0 HB VAL A 98 4.521 -2.502 -7.284 1.00 0.00 H new ATOM 0 HG11 VAL A 98 5.339 -0.155 -7.647 1.00 0.00 H new ATOM 0 HG12 VAL A 98 6.672 -1.327 -7.780 1.00 0.00 H new ATOM 0 HG13 VAL A 98 5.955 -0.625 -9.249 1.00 0.00 H new ATOM 0 HG21 VAL A 98 3.069 -0.753 -8.383 1.00 0.00 H new ATOM 0 HG22 VAL A 98 3.695 -1.254 -9.972 1.00 0.00 H new ATOM 0 HG23 VAL A 98 2.700 -2.376 -9.012 1.00 0.00 H new ATOM 1441 N PHE A 99 6.884 -4.046 -7.404 1.00 0.00 N ATOM 1442 CA PHE A 99 8.257 -4.430 -6.880 1.00 0.00 C ATOM 1443 C PHE A 99 9.059 -5.423 -7.741 1.00 0.00 C ATOM 1444 O PHE A 99 10.195 -5.172 -8.063 1.00 0.00 O ATOM 1445 CB PHE A 99 8.131 -5.049 -5.443 1.00 0.00 C ATOM 1446 CG PHE A 99 9.455 -5.223 -4.650 1.00 0.00 C ATOM 1447 CD1 PHE A 99 10.700 -4.788 -5.086 1.00 0.00 C ATOM 1448 CD2 PHE A 99 9.383 -5.855 -3.417 1.00 0.00 C ATOM 1449 CE1 PHE A 99 11.824 -4.982 -4.303 1.00 0.00 C ATOM 1450 CE2 PHE A 99 10.502 -6.047 -2.641 1.00 0.00 C ATOM 1451 CZ PHE A 99 11.721 -5.613 -3.078 1.00 0.00 C ATOM 0 H PHE A 99 6.146 -4.067 -6.700 1.00 0.00 H new ATOM 0 HA PHE A 99 8.810 -3.491 -6.893 1.00 0.00 H new ATOM 0 HB2 PHE A 99 7.461 -4.420 -4.857 1.00 0.00 H new ATOM 0 HB3 PHE A 99 7.654 -6.025 -5.532 1.00 0.00 H new ATOM 0 HD1 PHE A 99 10.791 -4.295 -6.043 1.00 0.00 H new ATOM 0 HD2 PHE A 99 8.426 -6.204 -3.058 1.00 0.00 H new ATOM 0 HE1 PHE A 99 12.787 -4.638 -4.651 1.00 0.00 H new ATOM 0 HE2 PHE A 99 10.417 -6.542 -1.685 1.00 0.00 H new ATOM 0 HZ PHE A 99 12.600 -5.762 -2.469 1.00 0.00 H new ATOM 1461 N THR A 100 8.502 -6.530 -8.143 1.00 0.00 N ATOM 1462 CA THR A 100 9.303 -7.509 -8.974 1.00 0.00 C ATOM 1463 C THR A 100 9.596 -7.030 -10.392 1.00 0.00 C ATOM 1464 O THR A 100 10.199 -7.743 -11.170 1.00 0.00 O ATOM 1465 CB THR A 100 8.533 -8.904 -9.008 1.00 0.00 C ATOM 1466 OG1 THR A 100 8.191 -9.254 -10.335 1.00 0.00 O ATOM 1467 CG2 THR A 100 7.111 -8.825 -8.590 1.00 0.00 C ATOM 0 H THR A 100 7.541 -6.809 -7.943 1.00 0.00 H new ATOM 0 HA THR A 100 10.277 -7.611 -8.496 1.00 0.00 H new ATOM 0 HB THR A 100 9.198 -9.536 -8.419 1.00 0.00 H new ATOM 0 HG1 THR A 100 7.867 -10.179 -10.356 1.00 0.00 H new ATOM 0 HG21 THR A 100 6.661 -9.816 -8.642 1.00 0.00 H new ATOM 0 HG22 THR A 100 7.053 -8.453 -7.567 1.00 0.00 H new ATOM 0 HG23 THR A 100 6.574 -8.148 -9.254 1.00 0.00 H new ATOM 1475 N LYS A 101 9.187 -5.825 -10.711 1.00 0.00 N ATOM 1476 CA LYS A 101 9.432 -5.292 -12.076 1.00 0.00 C ATOM 1477 C LYS A 101 10.577 -4.279 -12.086 1.00 0.00 C ATOM 1478 O LYS A 101 11.587 -4.503 -12.719 1.00 0.00 O ATOM 1479 CB LYS A 101 8.171 -4.597 -12.587 1.00 0.00 C ATOM 1480 CG LYS A 101 6.982 -5.524 -12.586 1.00 0.00 C ATOM 1481 CD LYS A 101 7.144 -6.734 -13.543 1.00 0.00 C ATOM 1482 CE LYS A 101 5.831 -7.512 -13.493 1.00 0.00 C ATOM 1483 NZ LYS A 101 4.745 -6.612 -14.025 1.00 0.00 N ATOM 0 H LYS A 101 8.695 -5.192 -10.080 1.00 0.00 H new ATOM 0 HA LYS A 101 9.699 -6.133 -12.716 1.00 0.00 H new ATOM 0 HB2 LYS A 101 7.956 -3.729 -11.963 1.00 0.00 H new ATOM 0 HB3 LYS A 101 8.344 -4.228 -13.598 1.00 0.00 H new ATOM 0 HG2 LYS A 101 6.817 -5.891 -11.573 1.00 0.00 H new ATOM 0 HG3 LYS A 101 6.092 -4.962 -12.870 1.00 0.00 H new ATOM 0 HD2 LYS A 101 7.357 -6.399 -14.558 1.00 0.00 H new ATOM 0 HD3 LYS A 101 7.979 -7.363 -13.234 1.00 0.00 H new ATOM 0 HE2 LYS A 101 5.902 -8.421 -14.091 1.00 0.00 H new ATOM 0 HE3 LYS A 101 5.607 -7.819 -12.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 3.990 -7.190 -14.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 4.353 -6.044 -13.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 5.142 -5.980 -14.750 1.00 0.00 H new ATOM 1497 N ILE A 102 10.411 -3.193 -11.380 1.00 0.00 N ATOM 1498 CA ILE A 102 11.465 -2.106 -11.311 1.00 0.00 C ATOM 1499 C ILE A 102 12.918 -2.520 -10.860 1.00 0.00 C ATOM 1500 O ILE A 102 13.774 -1.663 -10.711 1.00 0.00 O ATOM 1501 CB ILE A 102 10.910 -0.998 -10.354 1.00 0.00 C ATOM 1502 CG1 ILE A 102 10.795 -1.630 -8.940 1.00 0.00 C ATOM 1503 CG2 ILE A 102 9.512 -0.491 -10.838 1.00 0.00 C ATOM 1504 CD1 ILE A 102 10.172 -0.671 -7.925 1.00 0.00 C ATOM 0 H ILE A 102 9.574 -2.998 -10.831 1.00 0.00 H new ATOM 0 HA ILE A 102 11.620 -1.778 -12.339 1.00 0.00 H new ATOM 0 HB ILE A 102 11.578 -0.137 -10.343 1.00 0.00 H new ATOM 0 HG12 ILE A 102 10.192 -2.536 -8.997 1.00 0.00 H new ATOM 0 HG13 ILE A 102 11.786 -1.927 -8.595 1.00 0.00 H new ATOM 0 HG21 ILE A 102 9.148 0.278 -10.157 1.00 0.00 H new ATOM 0 HG22 ILE A 102 9.604 -0.074 -11.841 1.00 0.00 H new ATOM 0 HG23 ILE A 102 8.809 -1.324 -10.854 1.00 0.00 H new ATOM 0 HD11 ILE A 102 10.113 -1.159 -6.952 1.00 0.00 H new ATOM 0 HD12 ILE A 102 10.788 0.225 -7.845 1.00 0.00 H new ATOM 0 HD13 ILE A 102 9.170 -0.394 -8.253 1.00 0.00 H new ATOM 1516 N ASP A 103 13.139 -3.797 -10.689 1.00 0.00 N ATOM 1517 CA ASP A 103 14.445 -4.387 -10.253 1.00 0.00 C ATOM 1518 C ASP A 103 15.275 -5.070 -11.411 1.00 0.00 C ATOM 1519 O ASP A 103 15.770 -6.173 -11.257 1.00 0.00 O ATOM 1520 CB ASP A 103 14.049 -5.396 -9.121 1.00 0.00 C ATOM 1521 CG ASP A 103 13.566 -4.786 -7.790 1.00 0.00 C ATOM 1522 OD1 ASP A 103 12.713 -3.909 -7.767 1.00 0.00 O ATOM 1523 OD2 ASP A 103 14.133 -5.309 -6.843 1.00 0.00 O ATOM 0 H ASP A 103 12.418 -4.501 -10.845 1.00 0.00 H new ATOM 0 HA ASP A 103 15.128 -3.610 -9.909 1.00 0.00 H new ATOM 0 HB2 ASP A 103 13.262 -6.045 -9.504 1.00 0.00 H new ATOM 0 HB3 ASP A 103 14.911 -6.029 -8.912 1.00 0.00 H new ATOM 1528 N THR A 104 15.440 -4.406 -12.530 1.00 0.00 N ATOM 1529 CA THR A 104 16.209 -4.933 -13.740 1.00 0.00 C ATOM 1530 C THR A 104 17.674 -5.459 -13.603 1.00 0.00 C ATOM 1531 O THR A 104 18.404 -5.587 -14.568 1.00 0.00 O ATOM 1532 CB THR A 104 16.197 -3.821 -14.810 1.00 0.00 C ATOM 1533 OG1 THR A 104 16.547 -2.638 -14.097 1.00 0.00 O ATOM 1534 CG2 THR A 104 14.781 -3.526 -15.285 1.00 0.00 C ATOM 0 H THR A 104 15.058 -3.471 -12.674 1.00 0.00 H new ATOM 0 HA THR A 104 15.672 -5.852 -13.975 1.00 0.00 H new ATOM 0 HB THR A 104 16.837 -4.108 -15.644 1.00 0.00 H new ATOM 0 HG1 THR A 104 16.563 -1.877 -14.714 1.00 0.00 H new ATOM 0 HG21 THR A 104 14.807 -2.738 -16.038 1.00 0.00 H new ATOM 0 HG22 THR A 104 14.347 -4.428 -15.717 1.00 0.00 H new ATOM 0 HG23 THR A 104 14.174 -3.200 -14.440 1.00 0.00 H new ATOM 1542 N ASN A 105 18.051 -5.742 -12.392 1.00 0.00 N ATOM 1543 CA ASN A 105 19.407 -6.264 -12.025 1.00 0.00 C ATOM 1544 C ASN A 105 19.389 -7.004 -10.655 1.00 0.00 C ATOM 1545 O ASN A 105 20.435 -7.258 -10.096 1.00 0.00 O ATOM 1546 CB ASN A 105 20.364 -5.051 -11.986 1.00 0.00 C ATOM 1547 CG ASN A 105 19.901 -4.047 -10.930 1.00 0.00 C ATOM 1548 OD1 ASN A 105 20.531 -3.042 -10.691 1.00 0.00 O ATOM 1549 ND2 ASN A 105 18.811 -4.240 -10.252 1.00 0.00 N ATOM 0 H ASN A 105 17.436 -5.626 -11.586 1.00 0.00 H new ATOM 0 HA ASN A 105 19.738 -6.997 -12.761 1.00 0.00 H new ATOM 0 HB2 ASN A 105 21.377 -5.385 -11.761 1.00 0.00 H new ATOM 0 HB3 ASN A 105 20.396 -4.572 -12.965 1.00 0.00 H new ATOM 0 HD21 ASN A 105 18.518 -3.558 -9.552 1.00 0.00 H new ATOM 0 HD22 ASN A 105 18.247 -5.073 -10.419 1.00 0.00 H new ATOM 1556 N GLY A 106 18.220 -7.336 -10.151 1.00 0.00 N ATOM 1557 CA GLY A 106 18.144 -8.046 -8.813 1.00 0.00 C ATOM 1558 C GLY A 106 17.018 -8.279 -7.762 1.00 0.00 C ATOM 1559 O GLY A 106 17.225 -8.171 -6.573 1.00 0.00 O ATOM 0 H GLY A 106 17.321 -7.152 -10.596 1.00 0.00 H new ATOM 0 HA2 GLY A 106 18.482 -9.056 -9.046 1.00 0.00 H new ATOM 0 HA3 GLY A 106 18.934 -7.571 -8.232 1.00 0.00 H new ATOM 1563 N ILE A 107 15.861 -8.602 -8.281 1.00 0.00 N ATOM 1564 CA ILE A 107 14.575 -8.894 -7.616 1.00 0.00 C ATOM 1565 C ILE A 107 14.652 -9.056 -6.089 1.00 0.00 C ATOM 1566 O ILE A 107 14.634 -10.087 -5.434 1.00 0.00 O ATOM 1567 CB ILE A 107 14.050 -10.140 -8.417 1.00 0.00 C ATOM 1568 CG1 ILE A 107 13.515 -9.718 -9.859 1.00 0.00 C ATOM 1569 CG2 ILE A 107 12.868 -10.848 -7.717 1.00 0.00 C ATOM 1570 CD1 ILE A 107 14.528 -8.965 -10.778 1.00 0.00 C ATOM 0 H ILE A 107 15.766 -8.681 -9.293 1.00 0.00 H new ATOM 0 HA ILE A 107 13.876 -8.059 -7.656 1.00 0.00 H new ATOM 0 HB ILE A 107 14.907 -10.810 -8.482 1.00 0.00 H new ATOM 0 HG12 ILE A 107 13.185 -10.618 -10.378 1.00 0.00 H new ATOM 0 HG13 ILE A 107 12.637 -9.086 -9.727 1.00 0.00 H new ATOM 0 HG21 ILE A 107 12.548 -11.700 -8.316 1.00 0.00 H new ATOM 0 HG22 ILE A 107 13.183 -11.194 -6.733 1.00 0.00 H new ATOM 0 HG23 ILE A 107 12.038 -10.149 -7.608 1.00 0.00 H new ATOM 0 HD11 ILE A 107 14.051 -8.731 -11.730 1.00 0.00 H new ATOM 0 HD12 ILE A 107 14.842 -8.041 -10.293 1.00 0.00 H new ATOM 0 HD13 ILE A 107 15.399 -9.597 -10.954 1.00 0.00 H new ATOM 1582 N GLY A 108 14.750 -7.844 -5.620 1.00 0.00 N ATOM 1583 CA GLY A 108 14.835 -7.502 -4.160 1.00 0.00 C ATOM 1584 C GLY A 108 13.773 -8.270 -3.379 1.00 0.00 C ATOM 1585 O GLY A 108 13.857 -8.405 -2.177 1.00 0.00 O ATOM 0 H GLY A 108 14.777 -7.023 -6.225 1.00 0.00 H new ATOM 0 HA2 GLY A 108 15.826 -7.747 -3.778 1.00 0.00 H new ATOM 0 HA3 GLY A 108 14.696 -6.430 -4.021 1.00 0.00 H new ATOM 1589 N TYR A 109 12.794 -8.746 -4.110 1.00 0.00 N ATOM 1590 CA TYR A 109 11.654 -9.533 -3.547 1.00 0.00 C ATOM 1591 C TYR A 109 12.125 -10.664 -2.588 1.00 0.00 C ATOM 1592 O TYR A 109 11.319 -11.232 -1.883 1.00 0.00 O ATOM 1593 CB TYR A 109 10.863 -10.111 -4.746 1.00 0.00 C ATOM 1594 CG TYR A 109 9.483 -10.575 -4.265 1.00 0.00 C ATOM 1595 CD1 TYR A 109 8.555 -9.606 -3.977 1.00 0.00 C ATOM 1596 CD2 TYR A 109 9.131 -11.905 -4.107 1.00 0.00 C ATOM 1597 CE1 TYR A 109 7.302 -9.954 -3.539 1.00 0.00 C ATOM 1598 CE2 TYR A 109 7.853 -12.243 -3.664 1.00 0.00 C ATOM 1599 CZ TYR A 109 6.932 -11.258 -3.378 1.00 0.00 C ATOM 1600 OH TYR A 109 5.651 -11.546 -2.951 1.00 0.00 O ATOM 0 H TYR A 109 12.739 -8.613 -5.120 1.00 0.00 H new ATOM 0 HA TYR A 109 11.025 -8.882 -2.940 1.00 0.00 H new ATOM 0 HB2 TYR A 109 10.755 -9.355 -5.524 1.00 0.00 H new ATOM 0 HB3 TYR A 109 11.407 -10.946 -5.187 1.00 0.00 H new ATOM 0 HD1 TYR A 109 8.812 -8.564 -4.096 1.00 0.00 H new ATOM 0 HD2 TYR A 109 9.848 -12.682 -4.327 1.00 0.00 H new ATOM 0 HE1 TYR A 109 6.589 -9.174 -3.315 1.00 0.00 H new ATOM 0 HE2 TYR A 109 7.583 -13.282 -3.544 1.00 0.00 H new ATOM 0 HH TYR A 109 5.539 -12.517 -2.885 1.00 0.00 H new ATOM 1610 N GLN A 110 13.397 -10.980 -2.588 1.00 0.00 N ATOM 1611 CA GLN A 110 13.946 -12.057 -1.691 1.00 0.00 C ATOM 1612 C GLN A 110 14.625 -11.472 -0.418 1.00 0.00 C ATOM 1613 O GLN A 110 15.061 -12.215 0.435 1.00 0.00 O ATOM 1614 CB GLN A 110 15.024 -12.878 -2.429 1.00 0.00 C ATOM 1615 CG GLN A 110 14.629 -13.348 -3.857 1.00 0.00 C ATOM 1616 CD GLN A 110 15.753 -14.249 -4.378 1.00 0.00 C ATOM 1617 OE1 GLN A 110 16.021 -15.300 -3.845 1.00 0.00 O ATOM 1618 NE2 GLN A 110 16.466 -13.926 -5.406 1.00 0.00 N ATOM 0 H GLN A 110 14.095 -10.531 -3.181 1.00 0.00 H new ATOM 0 HA GLN A 110 13.094 -12.675 -1.407 1.00 0.00 H new ATOM 0 HB2 GLN A 110 15.932 -12.278 -2.498 1.00 0.00 H new ATOM 0 HB3 GLN A 110 15.266 -13.755 -1.828 1.00 0.00 H new ATOM 0 HG2 GLN A 110 13.684 -13.890 -3.833 1.00 0.00 H new ATOM 0 HG3 GLN A 110 14.489 -12.492 -4.516 1.00 0.00 H new ATOM 0 HE21 GLN A 110 16.286 -13.050 -5.897 1.00 0.00 H new ATOM 0 HE22 GLN A 110 17.209 -14.547 -5.727 1.00 0.00 H new ATOM 1627 N GLN A 111 14.706 -10.177 -0.308 1.00 0.00 N ATOM 1628 CA GLN A 111 15.352 -9.513 0.872 1.00 0.00 C ATOM 1629 C GLN A 111 14.356 -9.036 1.924 1.00 0.00 C ATOM 1630 O GLN A 111 14.466 -9.389 3.079 1.00 0.00 O ATOM 1631 CB GLN A 111 16.186 -8.336 0.311 1.00 0.00 C ATOM 1632 CG GLN A 111 17.575 -8.833 -0.182 1.00 0.00 C ATOM 1633 CD GLN A 111 18.481 -9.098 1.018 1.00 0.00 C ATOM 1634 OE1 GLN A 111 18.779 -8.225 1.795 1.00 0.00 O ATOM 1635 NE2 GLN A 111 18.961 -10.273 1.244 1.00 0.00 N ATOM 0 H GLN A 111 14.342 -9.527 -1.005 1.00 0.00 H new ATOM 0 HA GLN A 111 15.976 -10.235 1.398 1.00 0.00 H new ATOM 0 HB2 GLN A 111 15.650 -7.864 -0.512 1.00 0.00 H new ATOM 0 HB3 GLN A 111 16.318 -7.577 1.082 1.00 0.00 H new ATOM 0 HG2 GLN A 111 17.459 -9.743 -0.770 1.00 0.00 H new ATOM 0 HG3 GLN A 111 18.028 -8.087 -0.835 1.00 0.00 H new ATOM 0 HE21 GLN A 111 18.738 -11.045 0.615 1.00 0.00 H new ATOM 0 HE22 GLN A 111 19.564 -10.431 2.051 1.00 0.00 H new ATOM 1644 N GLY A 112 13.403 -8.247 1.514 1.00 0.00 N ATOM 1645 CA GLY A 112 12.394 -7.747 2.511 1.00 0.00 C ATOM 1646 C GLY A 112 11.780 -6.428 2.148 1.00 0.00 C ATOM 1647 O GLY A 112 10.574 -6.310 2.122 1.00 0.00 O ATOM 0 H GLY A 112 13.273 -7.927 0.554 1.00 0.00 H new ATOM 0 HA2 GLY A 112 11.602 -8.489 2.614 1.00 0.00 H new ATOM 0 HA3 GLY A 112 12.875 -7.657 3.485 1.00 0.00 H new ATOM 1651 N HIS A 113 12.588 -5.452 1.894 1.00 0.00 N ATOM 1652 CA HIS A 113 12.021 -4.097 1.513 1.00 0.00 C ATOM 1653 C HIS A 113 13.063 -3.208 0.850 1.00 0.00 C ATOM 1654 O HIS A 113 13.986 -2.757 1.494 1.00 0.00 O ATOM 1655 CB HIS A 113 11.455 -3.349 2.762 1.00 0.00 C ATOM 1656 CG HIS A 113 11.646 -4.107 4.061 1.00 0.00 C ATOM 1657 ND1 HIS A 113 10.931 -5.116 4.445 1.00 0.00 N ATOM 1658 CD2 HIS A 113 12.550 -3.910 5.060 1.00 0.00 C ATOM 1659 CE1 HIS A 113 11.359 -5.518 5.610 1.00 0.00 C ATOM 1660 NE2 HIS A 113 12.366 -4.786 6.022 1.00 0.00 N ATOM 0 H HIS A 113 13.606 -5.509 1.927 1.00 0.00 H new ATOM 0 HA HIS A 113 11.218 -4.293 0.803 1.00 0.00 H new ATOM 0 HB2 HIS A 113 11.941 -2.377 2.844 1.00 0.00 H new ATOM 0 HB3 HIS A 113 10.391 -3.163 2.613 1.00 0.00 H new ATOM 0 HD1 HIS A 113 10.159 -5.529 3.922 1.00 0.00 H new ATOM 0 HD2 HIS A 113 13.310 -3.143 5.061 1.00 0.00 H new ATOM 0 HE1 HIS A 113 10.939 -6.345 6.163 1.00 0.00 H new ATOM 1668 N LEU A 114 12.887 -2.951 -0.415 1.00 0.00 N ATOM 1669 CA LEU A 114 13.849 -2.096 -1.203 1.00 0.00 C ATOM 1670 C LEU A 114 13.611 -0.589 -0.983 1.00 0.00 C ATOM 1671 O LEU A 114 12.541 -0.165 -0.581 1.00 0.00 O ATOM 1672 CB LEU A 114 13.673 -2.492 -2.719 1.00 0.00 C ATOM 1673 CG LEU A 114 14.702 -1.828 -3.704 1.00 0.00 C ATOM 1674 CD1 LEU A 114 16.037 -2.583 -3.630 1.00 0.00 C ATOM 1675 CD2 LEU A 114 14.193 -1.957 -5.168 1.00 0.00 C ATOM 0 H LEU A 114 12.099 -3.302 -0.959 1.00 0.00 H new ATOM 0 HA LEU A 114 14.870 -2.277 -0.868 1.00 0.00 H new ATOM 0 HB2 LEU A 114 13.755 -3.575 -2.808 1.00 0.00 H new ATOM 0 HB3 LEU A 114 12.665 -2.222 -3.035 1.00 0.00 H new ATOM 0 HG LEU A 114 14.820 -0.781 -3.424 1.00 0.00 H new ATOM 0 HD11 LEU A 114 16.753 -2.124 -4.312 1.00 0.00 H new ATOM 0 HD12 LEU A 114 16.425 -2.537 -2.612 1.00 0.00 H new ATOM 0 HD13 LEU A 114 15.882 -3.624 -3.913 1.00 0.00 H new ATOM 0 HD21 LEU A 114 14.911 -1.495 -5.845 1.00 0.00 H new ATOM 0 HD22 LEU A 114 14.081 -3.011 -5.423 1.00 0.00 H new ATOM 0 HD23 LEU A 114 13.230 -1.456 -5.264 1.00 0.00 H new ATOM 1687 N ASN A 115 14.632 0.178 -1.262 1.00 0.00 N ATOM 1688 CA ASN A 115 14.534 1.652 -1.098 1.00 0.00 C ATOM 1689 C ASN A 115 14.216 2.256 -2.487 1.00 0.00 C ATOM 1690 O ASN A 115 14.965 2.182 -3.449 1.00 0.00 O ATOM 1691 CB ASN A 115 15.876 2.153 -0.542 1.00 0.00 C ATOM 1692 CG ASN A 115 15.812 3.650 -0.286 1.00 0.00 C ATOM 1693 OD1 ASN A 115 15.536 4.434 -1.164 1.00 0.00 O ATOM 1694 ND2 ASN A 115 16.060 4.121 0.889 1.00 0.00 N ATOM 0 H ASN A 115 15.534 -0.159 -1.598 1.00 0.00 H new ATOM 0 HA ASN A 115 13.746 1.948 -0.405 1.00 0.00 H new ATOM 0 HB2 ASN A 115 16.113 1.628 0.383 1.00 0.00 H new ATOM 0 HB3 ASN A 115 16.676 1.931 -1.248 1.00 0.00 H new ATOM 0 HD21 ASN A 115 16.020 5.127 1.054 1.00 0.00 H new ATOM 0 HD22 ASN A 115 16.296 3.488 1.653 1.00 0.00 H new ATOM 1701 N VAL A 116 13.048 2.834 -2.495 1.00 0.00 N ATOM 1702 CA VAL A 116 12.494 3.496 -3.710 1.00 0.00 C ATOM 1703 C VAL A 116 11.887 4.850 -3.298 1.00 0.00 C ATOM 1704 O VAL A 116 11.877 5.224 -2.133 1.00 0.00 O ATOM 1705 CB VAL A 116 11.392 2.552 -4.358 1.00 0.00 C ATOM 1706 CG1 VAL A 116 11.855 1.078 -4.393 1.00 0.00 C ATOM 1707 CG2 VAL A 116 10.063 2.616 -3.586 1.00 0.00 C ATOM 0 H VAL A 116 12.434 2.876 -1.682 1.00 0.00 H new ATOM 0 HA VAL A 116 13.277 3.670 -4.448 1.00 0.00 H new ATOM 0 HB VAL A 116 11.244 2.917 -5.374 1.00 0.00 H new ATOM 0 HG11 VAL A 116 11.076 0.462 -4.843 1.00 0.00 H new ATOM 0 HG12 VAL A 116 12.767 0.997 -4.984 1.00 0.00 H new ATOM 0 HG13 VAL A 116 12.049 0.733 -3.377 1.00 0.00 H new ATOM 0 HG21 VAL A 116 9.335 1.957 -4.060 1.00 0.00 H new ATOM 0 HG22 VAL A 116 10.225 2.297 -2.556 1.00 0.00 H new ATOM 0 HG23 VAL A 116 9.686 3.639 -3.594 1.00 0.00 H new ATOM 1717 N ASN A 117 11.396 5.517 -4.309 1.00 0.00 N ATOM 1718 CA ASN A 117 10.752 6.855 -4.134 1.00 0.00 C ATOM 1719 C ASN A 117 9.325 6.771 -4.702 1.00 0.00 C ATOM 1720 O ASN A 117 9.117 6.131 -5.722 1.00 0.00 O ATOM 1721 CB ASN A 117 11.601 7.897 -4.896 1.00 0.00 C ATOM 1722 CG ASN A 117 12.999 7.934 -4.308 1.00 0.00 C ATOM 1723 OD1 ASN A 117 13.216 7.753 -3.143 1.00 0.00 O ATOM 1724 ND2 ASN A 117 14.024 8.174 -5.050 1.00 0.00 N ATOM 0 H ASN A 117 11.414 5.183 -5.273 1.00 0.00 H new ATOM 0 HA ASN A 117 10.696 7.149 -3.086 1.00 0.00 H new ATOM 0 HB2 ASN A 117 11.646 7.642 -5.955 1.00 0.00 H new ATOM 0 HB3 ASN A 117 11.138 8.881 -4.825 1.00 0.00 H new ATOM 0 HD21 ASN A 117 14.957 8.202 -4.638 1.00 0.00 H new ATOM 0 HD22 ASN A 117 13.903 8.336 -6.050 1.00 0.00 H new ATOM 1731 N TYR A 118 8.392 7.418 -4.047 1.00 0.00 N ATOM 1732 CA TYR A 118 6.983 7.392 -4.527 1.00 0.00 C ATOM 1733 C TYR A 118 6.389 8.804 -4.454 1.00 0.00 C ATOM 1734 O TYR A 118 6.562 9.561 -3.511 1.00 0.00 O ATOM 1735 CB TYR A 118 6.176 6.377 -3.652 1.00 0.00 C ATOM 1736 CG TYR A 118 5.851 6.832 -2.207 1.00 0.00 C ATOM 1737 CD1 TYR A 118 4.924 7.827 -1.940 1.00 0.00 C ATOM 1738 CD2 TYR A 118 6.476 6.222 -1.138 1.00 0.00 C ATOM 1739 CE1 TYR A 118 4.636 8.190 -0.638 1.00 0.00 C ATOM 1740 CE2 TYR A 118 6.186 6.590 0.162 1.00 0.00 C ATOM 1741 CZ TYR A 118 5.263 7.576 0.420 1.00 0.00 C ATOM 1742 OH TYR A 118 4.945 7.979 1.698 1.00 0.00 O ATOM 0 H TYR A 118 8.550 7.963 -3.199 1.00 0.00 H new ATOM 0 HA TYR A 118 6.935 7.068 -5.567 1.00 0.00 H new ATOM 0 HB2 TYR A 118 5.238 6.155 -4.161 1.00 0.00 H new ATOM 0 HB3 TYR A 118 6.739 5.445 -3.600 1.00 0.00 H new ATOM 0 HD1 TYR A 118 4.422 8.323 -2.757 1.00 0.00 H new ATOM 0 HD2 TYR A 118 7.203 5.445 -1.321 1.00 0.00 H new ATOM 0 HE1 TYR A 118 3.909 8.966 -0.449 1.00 0.00 H new ATOM 0 HE2 TYR A 118 6.689 6.099 0.982 1.00 0.00 H new ATOM 0 HH TYR A 118 4.357 8.762 1.657 1.00 0.00 H new ATOM 1752 N GLN A 119 5.686 9.131 -5.499 1.00 0.00 N ATOM 1753 CA GLN A 119 5.041 10.480 -5.574 1.00 0.00 C ATOM 1754 C GLN A 119 3.573 10.318 -6.069 1.00 0.00 C ATOM 1755 O GLN A 119 3.320 9.477 -6.914 1.00 0.00 O ATOM 1756 CB GLN A 119 5.875 11.373 -6.572 1.00 0.00 C ATOM 1757 CG GLN A 119 7.147 10.662 -7.206 1.00 0.00 C ATOM 1758 CD GLN A 119 8.381 10.468 -6.296 1.00 0.00 C ATOM 1759 OE1 GLN A 119 9.351 9.867 -6.700 1.00 0.00 O ATOM 1760 NE2 GLN A 119 8.473 10.919 -5.088 1.00 0.00 N ATOM 0 H GLN A 119 5.527 8.528 -6.306 1.00 0.00 H new ATOM 0 HA GLN A 119 5.022 10.958 -4.594 1.00 0.00 H new ATOM 0 HB2 GLN A 119 5.219 11.699 -7.379 1.00 0.00 H new ATOM 0 HB3 GLN A 119 6.203 12.270 -6.046 1.00 0.00 H new ATOM 0 HG2 GLN A 119 6.839 9.682 -7.569 1.00 0.00 H new ATOM 0 HG3 GLN A 119 7.458 11.241 -8.076 1.00 0.00 H new ATOM 0 HE21 GLN A 119 7.696 11.436 -4.676 1.00 0.00 H new ATOM 0 HE22 GLN A 119 9.322 10.758 -4.547 1.00 0.00 H new ATOM 1769 N PHE A 120 2.646 11.094 -5.562 1.00 0.00 N ATOM 1770 CA PHE A 120 1.222 10.943 -6.051 1.00 0.00 C ATOM 1771 C PHE A 120 1.173 11.394 -7.551 1.00 0.00 C ATOM 1772 O PHE A 120 1.924 12.254 -7.972 1.00 0.00 O ATOM 1773 CB PHE A 120 0.281 11.831 -5.148 1.00 0.00 C ATOM 1774 CG PHE A 120 -0.018 11.178 -3.776 1.00 0.00 C ATOM 1775 CD1 PHE A 120 1.007 10.716 -2.973 1.00 0.00 C ATOM 1776 CD2 PHE A 120 -1.325 11.042 -3.312 1.00 0.00 C ATOM 1777 CE1 PHE A 120 0.740 10.137 -1.754 1.00 0.00 C ATOM 1778 CE2 PHE A 120 -1.591 10.462 -2.091 1.00 0.00 C ATOM 1779 CZ PHE A 120 -0.557 10.011 -1.315 1.00 0.00 C ATOM 0 H PHE A 120 2.797 11.809 -4.850 1.00 0.00 H new ATOM 0 HA PHE A 120 0.881 9.910 -5.984 1.00 0.00 H new ATOM 0 HB2 PHE A 120 0.748 12.803 -4.989 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -0.657 12.010 -5.673 1.00 0.00 H new ATOM 0 HD1 PHE A 120 2.030 10.811 -3.306 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -2.144 11.397 -3.920 1.00 0.00 H new ATOM 0 HE1 PHE A 120 1.553 9.780 -1.139 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -2.610 10.364 -1.748 1.00 0.00 H new ATOM 0 HZ PHE A 120 -0.760 9.556 -0.357 1.00 0.00 H new ATOM 1789 N VAL A 121 0.296 10.780 -8.304 1.00 0.00 N ATOM 1790 CA VAL A 121 0.135 11.098 -9.766 1.00 0.00 C ATOM 1791 C VAL A 121 -1.262 10.788 -10.365 1.00 0.00 C ATOM 1792 O VAL A 121 -2.032 10.016 -9.819 1.00 0.00 O ATOM 1793 CB VAL A 121 1.287 10.297 -10.469 1.00 0.00 C ATOM 1794 CG1 VAL A 121 0.761 9.264 -11.500 1.00 0.00 C ATOM 1795 CG2 VAL A 121 2.165 11.287 -11.259 1.00 0.00 C ATOM 0 H VAL A 121 -0.333 10.053 -7.963 1.00 0.00 H new ATOM 0 HA VAL A 121 0.204 12.174 -9.926 1.00 0.00 H new ATOM 0 HB VAL A 121 1.830 9.772 -9.683 1.00 0.00 H new ATOM 0 HG11 VAL A 121 1.603 8.741 -11.953 1.00 0.00 H new ATOM 0 HG12 VAL A 121 0.115 8.544 -10.997 1.00 0.00 H new ATOM 0 HG13 VAL A 121 0.194 9.780 -12.275 1.00 0.00 H new ATOM 0 HG21 VAL A 121 2.971 10.744 -11.753 1.00 0.00 H new ATOM 0 HG22 VAL A 121 1.557 11.795 -12.007 1.00 0.00 H new ATOM 0 HG23 VAL A 121 2.589 12.023 -10.576 1.00 0.00 H new ATOM 1805 N ASP A 122 -1.521 11.456 -11.467 1.00 0.00 N ATOM 1806 CA ASP A 122 -2.816 11.262 -12.204 1.00 0.00 C ATOM 1807 C ASP A 122 -2.591 10.110 -13.242 1.00 0.00 C ATOM 1808 O ASP A 122 -1.557 10.141 -13.883 1.00 0.00 O ATOM 1809 CB ASP A 122 -3.229 12.620 -12.935 1.00 0.00 C ATOM 1810 CG ASP A 122 -4.705 12.953 -12.635 1.00 0.00 C ATOM 1811 OD1 ASP A 122 -4.977 13.382 -11.525 1.00 0.00 O ATOM 1812 OD2 ASP A 122 -5.493 12.758 -13.542 1.00 0.00 O ATOM 0 H ASP A 122 -0.886 12.133 -11.891 1.00 0.00 H new ATOM 0 HA ASP A 122 -3.624 10.997 -11.522 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -2.588 13.434 -12.597 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -3.081 12.523 -14.011 1.00 0.00 H new ATOM 1817 N CYS A 123 -3.450 9.140 -13.469 1.00 0.00 N ATOM 1818 CA CYS A 123 -3.088 8.093 -14.514 1.00 0.00 C ATOM 1819 C CYS A 123 -3.309 8.598 -15.942 1.00 0.00 C ATOM 1820 O CYS A 123 -2.481 8.416 -16.811 1.00 0.00 O ATOM 1821 CB CYS A 123 -3.941 6.800 -14.364 1.00 0.00 C ATOM 1822 SG CYS A 123 -3.534 5.585 -13.085 1.00 0.00 S ATOM 0 H CYS A 123 -4.350 9.019 -13.005 1.00 0.00 H new ATOM 0 HA CYS A 123 -2.032 7.881 -14.343 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -4.973 7.111 -14.198 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -3.914 6.282 -15.323 1.00 0.00 H new ATOM 1827 N ARG A 124 -4.433 9.228 -16.109 1.00 0.00 N ATOM 1828 CA ARG A 124 -4.870 9.805 -17.429 1.00 0.00 C ATOM 1829 C ARG A 124 -5.003 8.627 -18.432 1.00 0.00 C ATOM 1830 O ARG A 124 -4.228 8.470 -19.358 1.00 0.00 O ATOM 1831 CB ARG A 124 -3.814 10.868 -17.948 1.00 0.00 C ATOM 1832 CG ARG A 124 -3.562 11.961 -16.873 1.00 0.00 C ATOM 1833 CD ARG A 124 -2.716 13.147 -17.435 1.00 0.00 C ATOM 1834 NE ARG A 124 -3.540 13.917 -18.445 1.00 0.00 N ATOM 1835 CZ ARG A 124 -3.042 14.547 -19.455 1.00 0.00 C ATOM 1836 NH1 ARG A 124 -2.066 15.344 -19.269 1.00 0.00 N ATOM 1837 NH2 ARG A 124 -3.543 14.357 -20.609 1.00 0.00 N ATOM 0 H ARG A 124 -5.104 9.378 -15.356 1.00 0.00 H new ATOM 0 HA ARG A 124 -5.824 10.322 -17.323 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -2.877 10.368 -18.192 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -4.177 11.330 -18.866 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -4.517 12.338 -16.508 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -3.046 11.519 -16.020 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -2.408 13.805 -16.623 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -1.806 12.770 -17.903 1.00 0.00 H new ATOM 0 HE ARG A 124 -4.552 13.939 -18.319 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -1.688 15.477 -18.331 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -1.662 15.849 -20.058 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -4.327 13.714 -20.725 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -3.161 14.847 -21.418 1.00 0.00 H new ATOM 1851 N ASP A 125 -6.011 7.835 -18.179 1.00 0.00 N ATOM 1852 CA ASP A 125 -6.295 6.648 -19.035 1.00 0.00 C ATOM 1853 C ASP A 125 -7.230 7.141 -20.184 1.00 0.00 C ATOM 1854 O ASP A 125 -7.881 8.170 -20.009 1.00 0.00 O ATOM 1855 CB ASP A 125 -6.955 5.597 -18.078 1.00 0.00 C ATOM 1856 CG ASP A 125 -6.706 4.117 -18.442 1.00 0.00 C ATOM 1857 OD1 ASP A 125 -5.549 3.746 -18.621 1.00 0.00 O ATOM 1858 OD2 ASP A 125 -7.706 3.415 -18.496 1.00 0.00 O ATOM 1859 OXT ASP A 125 -7.236 6.451 -21.191 1.00 0.00 O ATOM 0 H ASP A 125 -6.660 7.964 -17.402 1.00 0.00 H new ATOM 0 HA ASP A 125 -5.427 6.186 -19.505 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -6.587 5.771 -17.067 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -8.031 5.773 -18.061 1.00 0.00 H new TER 1864 ASP A 125