USER MOD reduce.3.24.130724 H: found=0, std=0, add=794, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 797 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 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 51 GLN : amide:sc= -0.0208 X(o=-0.021,f=0.16) USER MOD Set 2.1: A 18 MET CE :methyl 178:sc= -3.79 (180deg=-2.65) USER MOD Set 2.2: A 86 MET CE :methyl -166:sc= -10.3! (180deg=-10.6!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl -109:sc= -1.34 (180deg=-2.89!) USER MOD Single : A 4 THR OG1 : rot 172:sc= -1.15 USER MOD Single : A 6 GLN : amide:sc= -4.94! C(o=-4.9!,f=-6.2!) USER MOD Single : A 7 GLN : amide:sc= -2.43 K(o=-2.4,f=-8.6!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 146:sc= 0.392 (180deg=0.029) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 34:sc= 0.12 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 150:sc= -0.202 (180deg=-0.821) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 179:sc= -9.62! (180deg=-9.66!) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.522 USER MOD Single : A 55 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.118) USER MOD Single : A 56 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 CYS SG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -115:sc= 0.949 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl -149:sc= -0.601 (180deg=-2.27!) USER MOD Single : A 82 MET CE :methyl -123:sc= -9.37! (180deg=-12.7!) USER MOD Single : A 85 GLN : amide:sc= 0.109 K(o=0.11,f=-2.3!) USER MOD Single : A 87 LYS NZ :NH3+ -169:sc= -0.0814 (180deg=-0.334) USER MOD Single : B 116 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 117 SER OG : rot 67:sc= 0.74 USER MOD Single : B 121 MET CE :methyl 157:sc= -4.06! (180deg=-5.57!) USER MOD Single : B 128 SER OG : rot 180:sc= 0 USER MOD Single : B 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 130 HIS : no HD1:sc= -0.246 X(o=-0.25,f=-0.64) USER MOD Single : B 131 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00438) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -14.993 -0.553 -14.668 1.00 0.00 N ATOM 2 CA ALA A 1 -15.794 -1.401 -13.747 1.00 0.00 C ATOM 3 C ALA A 1 -15.403 -1.151 -12.295 1.00 0.00 C ATOM 4 O ALA A 1 -14.288 -1.466 -11.879 1.00 0.00 O ATOM 5 CB ALA A 1 -15.617 -2.871 -14.095 1.00 0.00 C ATOM 0 H1 ALA A 1 -15.278 -0.742 -15.650 1.00 0.00 H new ATOM 0 H2 ALA A 1 -15.156 0.450 -14.447 1.00 0.00 H new ATOM 0 H3 ALA A 1 -13.983 -0.773 -14.552 1.00 0.00 H new ATOM 0 HA ALA A 1 -16.844 -1.134 -13.867 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -16.209 -3.480 -13.412 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -15.949 -3.045 -15.118 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -14.565 -3.142 -14.004 1.00 0.00 H new ATOM 13 N SER A 2 -16.327 -0.583 -11.527 1.00 0.00 N ATOM 14 CA SER A 2 -16.078 -0.292 -10.120 1.00 0.00 C ATOM 15 C SER A 2 -16.414 -1.497 -9.248 1.00 0.00 C ATOM 16 O SER A 2 -16.795 -2.553 -9.752 1.00 0.00 O ATOM 17 CB SER A 2 -16.899 0.920 -9.675 1.00 0.00 C ATOM 18 OG SER A 2 -16.404 2.113 -10.258 1.00 0.00 O ATOM 0 H SER A 2 -17.255 -0.315 -11.855 1.00 0.00 H new ATOM 0 HA SER A 2 -15.018 -0.066 -10.003 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.943 0.780 -9.957 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.871 1.003 -8.589 1.00 0.00 H new ATOM 0 HG SER A 2 -16.947 2.873 -9.959 1.00 0.00 H new ATOM 24 N MET A 3 -16.268 -1.332 -7.937 1.00 0.00 N ATOM 25 CA MET A 3 -16.555 -2.408 -6.995 1.00 0.00 C ATOM 26 C MET A 3 -16.641 -1.866 -5.571 1.00 0.00 C ATOM 27 O MET A 3 -17.544 -2.224 -4.814 1.00 0.00 O ATOM 28 CB MET A 3 -15.478 -3.491 -7.081 1.00 0.00 C ATOM 29 CG MET A 3 -15.933 -4.748 -7.805 1.00 0.00 C ATOM 30 SD MET A 3 -17.380 -5.504 -7.039 1.00 0.00 S ATOM 31 CE MET A 3 -18.687 -4.887 -8.098 1.00 0.00 C ATOM 0 H MET A 3 -15.953 -0.464 -7.503 1.00 0.00 H new ATOM 0 HA MET A 3 -17.517 -2.847 -7.258 1.00 0.00 H new ATOM 0 HB2 MET A 3 -14.605 -3.084 -7.592 1.00 0.00 H new ATOM 0 HB3 MET A 3 -15.162 -3.757 -6.073 1.00 0.00 H new ATOM 0 HG2 MET A 3 -16.162 -4.503 -8.842 1.00 0.00 H new ATOM 0 HG3 MET A 3 -15.116 -5.470 -7.821 1.00 0.00 H new ATOM 0 HE1 MET A 3 -19.279 -4.151 -7.554 1.00 0.00 H new ATOM 0 HE2 MET A 3 -18.250 -4.421 -8.981 1.00 0.00 H new ATOM 0 HE3 MET A 3 -19.328 -5.714 -8.404 1.00 0.00 H new ATOM 41 N THR A 4 -15.696 -1.002 -5.218 1.00 0.00 N ATOM 42 CA THR A 4 -15.663 -0.408 -3.888 1.00 0.00 C ATOM 43 C THR A 4 -14.940 0.936 -3.914 1.00 0.00 C ATOM 44 O THR A 4 -13.777 1.019 -4.313 1.00 0.00 O ATOM 45 CB THR A 4 -14.984 -1.356 -2.898 1.00 0.00 C ATOM 46 OG1 THR A 4 -15.146 -0.892 -1.569 1.00 0.00 O ATOM 47 CG2 THR A 4 -13.501 -1.530 -3.148 1.00 0.00 C ATOM 0 H THR A 4 -14.943 -0.698 -5.835 1.00 0.00 H new ATOM 0 HA THR A 4 -16.690 -0.239 -3.564 1.00 0.00 H new ATOM 0 HB THR A 4 -15.472 -2.320 -3.043 1.00 0.00 H new ATOM 0 HG1 THR A 4 -14.820 -1.572 -0.943 1.00 0.00 H new ATOM 0 HG21 THR A 4 -13.085 -2.215 -2.409 1.00 0.00 H new ATOM 0 HG22 THR A 4 -13.346 -1.937 -4.147 1.00 0.00 H new ATOM 0 HG23 THR A 4 -13.003 -0.564 -3.068 1.00 0.00 H new ATOM 55 N ASP A 5 -15.636 1.984 -3.489 1.00 0.00 N ATOM 56 CA ASP A 5 -15.066 3.328 -3.467 1.00 0.00 C ATOM 57 C ASP A 5 -14.119 3.523 -2.281 1.00 0.00 C ATOM 58 O ASP A 5 -13.539 4.596 -2.115 1.00 0.00 O ATOM 59 CB ASP A 5 -16.180 4.374 -3.415 1.00 0.00 C ATOM 60 CG ASP A 5 -17.171 4.216 -4.551 1.00 0.00 C ATOM 61 OD1 ASP A 5 -17.985 3.270 -4.502 1.00 0.00 O ATOM 62 OD2 ASP A 5 -17.136 5.040 -5.489 1.00 0.00 O ATOM 0 H ASP A 5 -16.598 1.930 -3.154 1.00 0.00 H new ATOM 0 HA ASP A 5 -14.489 3.454 -4.383 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -16.706 4.295 -2.463 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -15.741 5.371 -3.455 1.00 0.00 H new ATOM 67 N GLN A 6 -13.963 2.488 -1.456 1.00 0.00 N ATOM 68 CA GLN A 6 -13.083 2.565 -0.293 1.00 0.00 C ATOM 69 C GLN A 6 -11.672 2.994 -0.695 1.00 0.00 C ATOM 70 O GLN A 6 -10.921 3.532 0.118 1.00 0.00 O ATOM 71 CB GLN A 6 -13.035 1.215 0.429 1.00 0.00 C ATOM 72 CG GLN A 6 -12.343 0.117 -0.363 1.00 0.00 C ATOM 73 CD GLN A 6 -11.624 -0.878 0.526 1.00 0.00 C ATOM 74 OE1 GLN A 6 -11.869 -0.941 1.730 1.00 0.00 O ATOM 75 NE2 GLN A 6 -10.731 -1.663 -0.064 1.00 0.00 N ATOM 0 H GLN A 6 -14.433 1.590 -1.572 1.00 0.00 H new ATOM 0 HA GLN A 6 -13.488 3.317 0.384 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -12.521 1.342 1.382 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -14.053 0.899 0.656 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -13.081 -0.409 -0.968 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -11.628 0.567 -1.052 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -10.559 -1.577 -1.066 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -10.217 -2.352 0.484 1.00 0.00 H new ATOM 84 N GLN A 7 -11.321 2.756 -1.956 1.00 0.00 N ATOM 85 CA GLN A 7 -10.003 3.120 -2.465 1.00 0.00 C ATOM 86 C GLN A 7 -9.937 4.610 -2.786 1.00 0.00 C ATOM 87 O GLN A 7 -8.856 5.197 -2.832 1.00 0.00 O ATOM 88 CB GLN A 7 -9.669 2.305 -3.716 1.00 0.00 C ATOM 89 CG GLN A 7 -10.029 0.832 -3.605 1.00 0.00 C ATOM 90 CD GLN A 7 -10.551 0.261 -4.909 1.00 0.00 C ATOM 91 OE1 GLN A 7 -11.509 -0.512 -4.921 1.00 0.00 O ATOM 92 NE2 GLN A 7 -9.922 0.640 -6.015 1.00 0.00 N ATOM 0 H GLN A 7 -11.931 2.313 -2.643 1.00 0.00 H new ATOM 0 HA GLN A 7 -9.270 2.898 -1.689 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -10.195 2.734 -4.569 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -8.602 2.394 -3.922 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -9.150 0.269 -3.292 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -10.783 0.703 -2.828 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -9.132 1.283 -5.958 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -10.229 0.288 -6.922 1.00 0.00 H new ATOM 101 N ALA A 8 -11.099 5.215 -3.004 1.00 0.00 N ATOM 102 CA ALA A 8 -11.174 6.635 -3.316 1.00 0.00 C ATOM 103 C ALA A 8 -11.066 7.470 -2.049 1.00 0.00 C ATOM 104 O ALA A 8 -10.262 8.400 -1.973 1.00 0.00 O ATOM 105 CB ALA A 8 -12.468 6.949 -4.053 1.00 0.00 C ATOM 0 H ALA A 8 -12.002 4.743 -2.970 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.336 6.889 -3.965 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.509 8.015 -4.279 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.505 6.379 -4.982 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -13.318 6.678 -3.427 1.00 0.00 H new ATOM 111 N GLU A 9 -11.871 7.126 -1.047 1.00 0.00 N ATOM 112 CA GLU A 9 -11.849 7.839 0.224 1.00 0.00 C ATOM 113 C GLU A 9 -10.446 7.801 0.814 1.00 0.00 C ATOM 114 O GLU A 9 -9.979 8.773 1.404 1.00 0.00 O ATOM 115 CB GLU A 9 -12.848 7.220 1.204 1.00 0.00 C ATOM 116 CG GLU A 9 -14.200 6.909 0.580 1.00 0.00 C ATOM 117 CD GLU A 9 -15.358 7.308 1.473 1.00 0.00 C ATOM 118 OE1 GLU A 9 -15.350 8.448 1.984 1.00 0.00 O ATOM 119 OE2 GLU A 9 -16.274 6.479 1.662 1.00 0.00 O ATOM 0 H GLU A 9 -12.544 6.361 -1.091 1.00 0.00 H new ATOM 0 HA GLU A 9 -12.135 8.876 0.048 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -12.424 6.301 1.610 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -12.992 7.902 2.042 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -14.285 7.430 -0.374 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -14.261 5.842 0.367 1.00 0.00 H new ATOM 126 N ALA A 10 -9.778 6.666 0.630 1.00 0.00 N ATOM 127 CA ALA A 10 -8.420 6.472 1.118 1.00 0.00 C ATOM 128 C ALA A 10 -7.538 7.675 0.801 1.00 0.00 C ATOM 129 O ALA A 10 -7.016 8.331 1.703 1.00 0.00 O ATOM 130 CB ALA A 10 -7.835 5.217 0.494 1.00 0.00 C ATOM 0 H ALA A 10 -10.163 5.858 0.140 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.455 6.363 2.202 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.818 5.070 0.858 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.446 4.356 0.766 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.820 5.323 -0.591 1.00 0.00 H new ATOM 136 N ARG A 11 -7.379 7.959 -0.489 1.00 0.00 N ATOM 137 CA ARG A 11 -6.564 9.084 -0.933 1.00 0.00 C ATOM 138 C ARG A 11 -6.975 10.369 -0.218 1.00 0.00 C ATOM 139 O ARG A 11 -6.168 11.282 -0.046 1.00 0.00 O ATOM 140 CB ARG A 11 -6.687 9.261 -2.449 1.00 0.00 C ATOM 141 CG ARG A 11 -5.422 8.896 -3.207 1.00 0.00 C ATOM 142 CD ARG A 11 -5.512 9.299 -4.670 1.00 0.00 C ATOM 143 NE ARG A 11 -5.427 10.746 -4.846 1.00 0.00 N ATOM 144 CZ ARG A 11 -5.141 11.337 -6.004 1.00 0.00 C ATOM 145 NH1 ARG A 11 -4.911 10.608 -7.090 1.00 0.00 N ATOM 146 NH2 ARG A 11 -5.084 12.659 -6.079 1.00 0.00 N ATOM 0 H ARG A 11 -7.805 7.424 -1.246 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.524 8.871 -0.684 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.509 8.645 -2.813 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.945 10.298 -2.666 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.566 9.388 -2.745 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.250 7.822 -3.134 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -4.709 8.818 -5.228 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.451 8.938 -5.088 1.00 0.00 H new ATOM 0 HE ARG A 11 -5.597 11.339 -4.034 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -4.953 9.590 -7.039 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -4.692 11.066 -7.975 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.259 13.225 -5.249 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -4.865 13.110 -6.967 1.00 0.00 H new ATOM 160 N ALA A 12 -8.236 10.427 0.199 1.00 0.00 N ATOM 161 CA ALA A 12 -8.757 11.593 0.899 1.00 0.00 C ATOM 162 C ALA A 12 -8.605 11.441 2.410 1.00 0.00 C ATOM 163 O ALA A 12 -8.597 12.430 3.144 1.00 0.00 O ATOM 164 CB ALA A 12 -10.217 11.819 0.533 1.00 0.00 C ATOM 0 H ALA A 12 -8.916 9.679 0.063 1.00 0.00 H new ATOM 0 HA ALA A 12 -8.177 12.462 0.588 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -10.594 12.694 1.063 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -10.302 11.982 -0.541 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -10.802 10.944 0.815 1.00 0.00 H new ATOM 170 N PHE A 13 -8.486 10.198 2.872 1.00 0.00 N ATOM 171 CA PHE A 13 -8.335 9.927 4.297 1.00 0.00 C ATOM 172 C PHE A 13 -6.912 10.218 4.758 1.00 0.00 C ATOM 173 O PHE A 13 -6.680 10.534 5.926 1.00 0.00 O ATOM 174 CB PHE A 13 -8.695 8.471 4.600 1.00 0.00 C ATOM 175 CG PHE A 13 -9.400 8.290 5.914 1.00 0.00 C ATOM 176 CD1 PHE A 13 -8.708 8.408 7.109 1.00 0.00 C ATOM 177 CD2 PHE A 13 -10.755 8.005 5.955 1.00 0.00 C ATOM 178 CE1 PHE A 13 -9.354 8.242 8.320 1.00 0.00 C ATOM 179 CE2 PHE A 13 -11.407 7.838 7.162 1.00 0.00 C ATOM 180 CZ PHE A 13 -10.705 7.958 8.346 1.00 0.00 C ATOM 0 H PHE A 13 -8.491 9.366 2.281 1.00 0.00 H new ATOM 0 HA PHE A 13 -9.014 10.583 4.841 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -9.329 8.088 3.801 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -7.784 7.872 4.600 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -7.652 8.632 7.094 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -11.309 7.912 5.032 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -8.803 8.334 9.244 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -12.463 7.614 7.180 1.00 0.00 H new ATOM 0 HZ PHE A 13 -11.212 7.830 9.291 1.00 0.00 H new ATOM 190 N LEU A 14 -5.961 10.108 3.836 1.00 0.00 N ATOM 191 CA LEU A 14 -4.560 10.359 4.150 1.00 0.00 C ATOM 192 C LEU A 14 -4.102 11.695 3.577 1.00 0.00 C ATOM 193 O LEU A 14 -4.646 12.175 2.582 1.00 0.00 O ATOM 194 CB LEU A 14 -3.684 9.233 3.599 1.00 0.00 C ATOM 195 CG LEU A 14 -4.140 7.822 3.969 1.00 0.00 C ATOM 196 CD1 LEU A 14 -3.404 6.787 3.132 1.00 0.00 C ATOM 197 CD2 LEU A 14 -3.922 7.566 5.451 1.00 0.00 C ATOM 0 H LEU A 14 -6.136 9.847 2.866 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.460 10.395 5.235 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.653 9.316 2.513 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.665 9.376 3.959 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.206 7.736 3.758 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.741 5.788 3.409 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.610 6.960 2.076 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.332 6.870 3.311 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.252 6.557 5.698 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.863 7.669 5.686 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.495 8.288 6.033 1.00 0.00 H new ATOM 209 N SER A 15 -3.096 12.289 4.209 1.00 0.00 N ATOM 210 CA SER A 15 -2.558 13.567 3.759 1.00 0.00 C ATOM 211 C SER A 15 -1.785 13.393 2.460 1.00 0.00 C ATOM 212 O SER A 15 -1.375 12.284 2.116 1.00 0.00 O ATOM 213 CB SER A 15 -1.642 14.164 4.830 1.00 0.00 C ATOM 214 OG SER A 15 -1.791 15.572 4.901 1.00 0.00 O ATOM 0 H SER A 15 -2.636 11.906 5.035 1.00 0.00 H new ATOM 0 HA SER A 15 -3.392 14.247 3.584 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.873 13.721 5.799 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.605 13.916 4.606 1.00 0.00 H new ATOM 0 HG SER A 15 -1.197 15.929 5.594 1.00 0.00 H new ATOM 220 N GLU A 16 -1.573 14.494 1.743 1.00 0.00 N ATOM 221 CA GLU A 16 -0.828 14.451 0.489 1.00 0.00 C ATOM 222 C GLU A 16 0.493 13.711 0.685 1.00 0.00 C ATOM 223 O GLU A 16 1.032 13.116 -0.248 1.00 0.00 O ATOM 224 CB GLU A 16 -0.564 15.868 -0.025 1.00 0.00 C ATOM 225 CG GLU A 16 -1.641 16.382 -0.966 1.00 0.00 C ATOM 226 CD GLU A 16 -1.216 16.335 -2.420 1.00 0.00 C ATOM 227 OE1 GLU A 16 -1.391 15.274 -3.055 1.00 0.00 O ATOM 228 OE2 GLU A 16 -0.706 17.358 -2.924 1.00 0.00 O ATOM 0 H GLU A 16 -1.905 15.422 2.007 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.426 13.917 -0.250 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.482 16.545 0.825 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.396 15.886 -0.540 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.545 15.788 -0.836 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.893 17.408 -0.698 1.00 0.00 H new ATOM 235 N GLU A 17 0.997 13.749 1.914 1.00 0.00 N ATOM 236 CA GLU A 17 2.244 13.083 2.260 1.00 0.00 C ATOM 237 C GLU A 17 2.136 11.578 2.029 1.00 0.00 C ATOM 238 O GLU A 17 2.914 10.997 1.275 1.00 0.00 O ATOM 239 CB GLU A 17 2.592 13.361 3.724 1.00 0.00 C ATOM 240 CG GLU A 17 3.537 14.538 3.911 1.00 0.00 C ATOM 241 CD GLU A 17 3.153 15.410 5.090 1.00 0.00 C ATOM 242 OE1 GLU A 17 2.318 16.321 4.908 1.00 0.00 O ATOM 243 OE2 GLU A 17 3.687 15.182 6.196 1.00 0.00 O ATOM 0 H GLU A 17 0.555 14.239 2.692 1.00 0.00 H new ATOM 0 HA GLU A 17 3.034 13.474 1.619 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.673 13.552 4.278 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.045 12.469 4.157 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.552 14.166 4.054 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.544 15.142 3.004 1.00 0.00 H new ATOM 250 N MET A 18 1.161 10.954 2.684 1.00 0.00 N ATOM 251 CA MET A 18 0.945 9.517 2.555 1.00 0.00 C ATOM 252 C MET A 18 0.771 9.110 1.092 1.00 0.00 C ATOM 253 O MET A 18 0.990 7.953 0.730 1.00 0.00 O ATOM 254 CB MET A 18 -0.282 9.093 3.366 1.00 0.00 C ATOM 255 CG MET A 18 -0.073 7.823 4.175 1.00 0.00 C ATOM 256 SD MET A 18 1.195 8.006 5.446 1.00 0.00 S ATOM 257 CE MET A 18 0.653 6.791 6.647 1.00 0.00 C ATOM 0 H MET A 18 0.507 11.423 3.311 1.00 0.00 H new ATOM 0 HA MET A 18 1.827 9.009 2.945 1.00 0.00 H new ATOM 0 HB2 MET A 18 -0.557 9.903 4.042 1.00 0.00 H new ATOM 0 HB3 MET A 18 -1.122 8.946 2.687 1.00 0.00 H new ATOM 0 HG2 MET A 18 -1.014 7.538 4.645 1.00 0.00 H new ATOM 0 HG3 MET A 18 0.206 7.011 3.503 1.00 0.00 H new ATOM 0 HE1 MET A 18 1.358 6.761 7.478 1.00 0.00 H new ATOM 0 HE2 MET A 18 -0.335 7.063 7.019 1.00 0.00 H new ATOM 0 HE3 MET A 18 0.605 5.809 6.175 1.00 0.00 H new ATOM 267 N ILE A 19 0.381 10.067 0.254 1.00 0.00 N ATOM 268 CA ILE A 19 0.183 9.804 -1.166 1.00 0.00 C ATOM 269 C ILE A 19 1.515 9.807 -1.908 1.00 0.00 C ATOM 270 O ILE A 19 1.932 8.791 -2.462 1.00 0.00 O ATOM 271 CB ILE A 19 -0.760 10.849 -1.801 1.00 0.00 C ATOM 272 CG1 ILE A 19 -2.198 10.614 -1.332 1.00 0.00 C ATOM 273 CG2 ILE A 19 -0.676 10.801 -3.323 1.00 0.00 C ATOM 274 CD1 ILE A 19 -3.197 11.580 -1.930 1.00 0.00 C ATOM 0 H ILE A 19 0.196 11.030 0.535 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.274 8.818 -1.254 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.445 11.841 -1.478 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.492 9.596 -1.587 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.234 10.694 -0.246 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.349 11.546 -3.748 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.346 11.013 -3.638 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.965 9.810 -3.672 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.194 11.353 -1.552 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.928 12.599 -1.653 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.190 11.485 -3.016 1.00 0.00 H new ATOM 286 N ALA A 20 2.178 10.957 -1.913 1.00 0.00 N ATOM 287 CA ALA A 20 3.464 11.100 -2.584 1.00 0.00 C ATOM 288 C ALA A 20 4.413 9.960 -2.219 1.00 0.00 C ATOM 289 O ALA A 20 5.312 9.617 -2.988 1.00 0.00 O ATOM 290 CB ALA A 20 4.080 12.445 -2.238 1.00 0.00 C ATOM 0 H ALA A 20 1.845 11.807 -1.458 1.00 0.00 H new ATOM 0 HA ALA A 20 3.296 11.053 -3.660 1.00 0.00 H new ATOM 0 HB1 ALA A 20 5.041 12.546 -2.743 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.414 13.245 -2.563 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.228 12.511 -1.160 1.00 0.00 H new ATOM 296 N GLU A 21 4.198 9.370 -1.047 1.00 0.00 N ATOM 297 CA GLU A 21 5.019 8.263 -0.583 1.00 0.00 C ATOM 298 C GLU A 21 4.418 6.937 -1.035 1.00 0.00 C ATOM 299 O GLU A 21 5.136 5.970 -1.287 1.00 0.00 O ATOM 300 CB GLU A 21 5.145 8.297 0.940 1.00 0.00 C ATOM 301 CG GLU A 21 5.646 9.627 1.478 1.00 0.00 C ATOM 302 CD GLU A 21 7.067 9.930 1.050 1.00 0.00 C ATOM 303 OE1 GLU A 21 7.264 10.306 -0.124 1.00 0.00 O ATOM 304 OE2 GLU A 21 7.981 9.791 1.889 1.00 0.00 O ATOM 0 H GLU A 21 3.458 9.644 -0.401 1.00 0.00 H new ATOM 0 HA GLU A 21 6.015 8.361 -1.016 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.173 8.079 1.382 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.825 7.506 1.258 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.989 10.425 1.133 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.592 9.618 2.567 1.00 0.00 H new ATOM 311 N PHE A 22 3.092 6.906 -1.153 1.00 0.00 N ATOM 312 CA PHE A 22 2.392 5.706 -1.595 1.00 0.00 C ATOM 313 C PHE A 22 2.853 5.326 -2.998 1.00 0.00 C ATOM 314 O PHE A 22 2.945 4.147 -3.340 1.00 0.00 O ATOM 315 CB PHE A 22 0.870 5.937 -1.560 1.00 0.00 C ATOM 316 CG PHE A 22 0.163 5.679 -2.867 1.00 0.00 C ATOM 317 CD1 PHE A 22 0.306 6.553 -3.934 1.00 0.00 C ATOM 318 CD2 PHE A 22 -0.644 4.564 -3.025 1.00 0.00 C ATOM 319 CE1 PHE A 22 -0.342 6.319 -5.132 1.00 0.00 C ATOM 320 CE2 PHE A 22 -1.294 4.325 -4.222 1.00 0.00 C ATOM 321 CZ PHE A 22 -1.143 5.204 -5.276 1.00 0.00 C ATOM 0 H PHE A 22 2.483 7.698 -0.948 1.00 0.00 H new ATOM 0 HA PHE A 22 2.626 4.883 -0.920 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.436 5.293 -0.795 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.679 6.966 -1.256 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.931 7.427 -3.828 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.767 3.873 -2.204 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -0.222 7.008 -5.955 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.919 3.451 -4.332 1.00 0.00 H new ATOM 0 HZ PHE A 22 -1.651 5.020 -6.211 1.00 0.00 H new ATOM 331 N LYS A 23 3.150 6.343 -3.800 1.00 0.00 N ATOM 332 CA LYS A 23 3.613 6.134 -5.165 1.00 0.00 C ATOM 333 C LYS A 23 5.066 5.662 -5.177 1.00 0.00 C ATOM 334 O LYS A 23 5.573 5.207 -6.203 1.00 0.00 O ATOM 335 CB LYS A 23 3.476 7.429 -5.970 1.00 0.00 C ATOM 336 CG LYS A 23 3.530 7.218 -7.473 1.00 0.00 C ATOM 337 CD LYS A 23 2.265 6.549 -7.987 1.00 0.00 C ATOM 338 CE LYS A 23 2.063 6.804 -9.473 1.00 0.00 C ATOM 339 NZ LYS A 23 1.608 5.581 -10.189 1.00 0.00 N ATOM 0 H LYS A 23 3.078 7.323 -3.526 1.00 0.00 H new ATOM 0 HA LYS A 23 2.996 5.361 -5.623 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.532 7.909 -5.712 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.272 8.114 -5.679 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.664 8.178 -7.972 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.395 6.605 -7.725 1.00 0.00 H new ATOM 0 HD2 LYS A 23 2.320 5.476 -7.805 1.00 0.00 H new ATOM 0 HD3 LYS A 23 1.404 6.922 -7.433 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.329 7.598 -9.609 1.00 0.00 H new ATOM 0 HE3 LYS A 23 2.997 7.155 -9.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.964 5.850 -10.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 2.431 5.083 -10.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 1.111 4.954 -9.524 1.00 0.00 H new ATOM 353 N ALA A 24 5.733 5.781 -4.029 1.00 0.00 N ATOM 354 CA ALA A 24 7.131 5.378 -3.898 1.00 0.00 C ATOM 355 C ALA A 24 7.410 4.021 -4.545 1.00 0.00 C ATOM 356 O ALA A 24 7.935 3.949 -5.656 1.00 0.00 O ATOM 357 CB ALA A 24 7.528 5.346 -2.428 1.00 0.00 C ATOM 0 H ALA A 24 5.324 6.155 -3.173 1.00 0.00 H new ATOM 0 HA ALA A 24 7.732 6.118 -4.427 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.572 5.045 -2.339 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.399 6.338 -1.995 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.898 4.633 -1.896 1.00 0.00 H new ATOM 363 N ALA A 25 7.072 2.949 -3.835 1.00 0.00 N ATOM 364 CA ALA A 25 7.302 1.596 -4.329 1.00 0.00 C ATOM 365 C ALA A 25 6.300 1.196 -5.409 1.00 0.00 C ATOM 366 O ALA A 25 6.425 0.130 -6.010 1.00 0.00 O ATOM 367 CB ALA A 25 7.254 0.606 -3.173 1.00 0.00 C ATOM 0 H ALA A 25 6.637 2.992 -2.913 1.00 0.00 H new ATOM 0 HA ALA A 25 8.291 1.578 -4.786 1.00 0.00 H new ATOM 0 HB1 ALA A 25 7.427 -0.402 -3.550 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.025 0.858 -2.445 1.00 0.00 H new ATOM 0 HB3 ALA A 25 6.276 0.652 -2.695 1.00 0.00 H new ATOM 373 N PHE A 26 5.304 2.046 -5.651 1.00 0.00 N ATOM 374 CA PHE A 26 4.283 1.764 -6.659 1.00 0.00 C ATOM 375 C PHE A 26 4.905 1.269 -7.964 1.00 0.00 C ATOM 376 O PHE A 26 4.290 0.496 -8.699 1.00 0.00 O ATOM 377 CB PHE A 26 3.445 3.013 -6.924 1.00 0.00 C ATOM 378 CG PHE A 26 1.973 2.737 -7.032 1.00 0.00 C ATOM 379 CD1 PHE A 26 1.261 2.266 -5.941 1.00 0.00 C ATOM 380 CD2 PHE A 26 1.301 2.948 -8.226 1.00 0.00 C ATOM 381 CE1 PHE A 26 -0.094 2.011 -6.037 1.00 0.00 C ATOM 382 CE2 PHE A 26 -0.053 2.695 -8.329 1.00 0.00 C ATOM 383 CZ PHE A 26 -0.751 2.225 -7.233 1.00 0.00 C ATOM 0 H PHE A 26 5.182 2.934 -5.164 1.00 0.00 H new ATOM 0 HA PHE A 26 3.642 0.973 -6.270 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.614 3.731 -6.121 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.787 3.481 -7.847 1.00 0.00 H new ATOM 0 HD1 PHE A 26 1.771 2.096 -5.004 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.842 3.314 -9.086 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.638 1.645 -5.179 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.565 2.864 -9.265 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.809 2.025 -7.311 1.00 0.00 H new ATOM 393 N ASP A 27 6.122 1.717 -8.246 1.00 0.00 N ATOM 394 CA ASP A 27 6.821 1.316 -9.462 1.00 0.00 C ATOM 395 C ASP A 27 7.491 -0.042 -9.282 1.00 0.00 C ATOM 396 O ASP A 27 7.194 -0.992 -10.006 1.00 0.00 O ATOM 397 CB ASP A 27 7.864 2.367 -9.845 1.00 0.00 C ATOM 398 CG ASP A 27 7.240 3.602 -10.466 1.00 0.00 C ATOM 399 OD1 ASP A 27 6.520 3.459 -11.477 1.00 0.00 O ATOM 400 OD2 ASP A 27 7.471 4.711 -9.941 1.00 0.00 O ATOM 0 H ASP A 27 6.646 2.358 -7.650 1.00 0.00 H new ATOM 0 HA ASP A 27 6.087 1.234 -10.264 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.428 2.655 -8.958 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.575 1.931 -10.547 1.00 0.00 H new ATOM 405 N MET A 28 8.395 -0.127 -8.312 1.00 0.00 N ATOM 406 CA MET A 28 9.107 -1.369 -8.036 1.00 0.00 C ATOM 407 C MET A 28 8.134 -2.491 -7.683 1.00 0.00 C ATOM 408 O MET A 28 8.428 -3.668 -7.887 1.00 0.00 O ATOM 409 CB MET A 28 10.105 -1.167 -6.895 1.00 0.00 C ATOM 410 CG MET A 28 11.294 -0.298 -7.273 1.00 0.00 C ATOM 411 SD MET A 28 11.010 1.449 -6.932 1.00 0.00 S ATOM 412 CE MET A 28 12.372 2.192 -7.827 1.00 0.00 C ATOM 0 H MET A 28 8.652 0.650 -7.703 1.00 0.00 H new ATOM 0 HA MET A 28 9.649 -1.654 -8.938 1.00 0.00 H new ATOM 0 HB2 MET A 28 9.589 -0.714 -6.048 1.00 0.00 H new ATOM 0 HB3 MET A 28 10.468 -2.140 -6.564 1.00 0.00 H new ATOM 0 HG2 MET A 28 12.174 -0.633 -6.724 1.00 0.00 H new ATOM 0 HG3 MET A 28 11.511 -0.427 -8.333 1.00 0.00 H new ATOM 0 HE1 MET A 28 12.335 3.275 -7.713 1.00 0.00 H new ATOM 0 HE2 MET A 28 13.316 1.818 -7.430 1.00 0.00 H new ATOM 0 HE3 MET A 28 12.296 1.936 -8.884 1.00 0.00 H new ATOM 422 N PHE A 29 6.973 -2.117 -7.151 1.00 0.00 N ATOM 423 CA PHE A 29 5.958 -3.093 -6.768 1.00 0.00 C ATOM 424 C PHE A 29 5.533 -3.936 -7.965 1.00 0.00 C ATOM 425 O PHE A 29 5.859 -5.121 -8.050 1.00 0.00 O ATOM 426 CB PHE A 29 4.740 -2.384 -6.169 1.00 0.00 C ATOM 427 CG PHE A 29 4.613 -2.572 -4.685 1.00 0.00 C ATOM 428 CD1 PHE A 29 4.235 -3.795 -4.164 1.00 0.00 C ATOM 429 CD2 PHE A 29 4.869 -1.526 -3.813 1.00 0.00 C ATOM 430 CE1 PHE A 29 4.114 -3.976 -2.802 1.00 0.00 C ATOM 431 CE2 PHE A 29 4.750 -1.700 -2.448 1.00 0.00 C ATOM 432 CZ PHE A 29 4.371 -2.927 -1.941 1.00 0.00 C ATOM 0 H PHE A 29 6.713 -1.147 -6.976 1.00 0.00 H new ATOM 0 HA PHE A 29 6.391 -3.755 -6.018 1.00 0.00 H new ATOM 0 HB2 PHE A 29 4.804 -1.318 -6.389 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.837 -2.756 -6.654 1.00 0.00 H new ATOM 0 HD1 PHE A 29 4.032 -4.619 -4.832 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.165 -0.564 -4.205 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.818 -4.938 -2.409 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.953 -0.877 -1.778 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.276 -3.066 -0.874 1.00 0.00 H new ATOM 442 N ASP A 30 4.800 -3.320 -8.888 1.00 0.00 N ATOM 443 CA ASP A 30 4.326 -4.015 -10.080 1.00 0.00 C ATOM 444 C ASP A 30 5.480 -4.677 -10.826 1.00 0.00 C ATOM 445 O ASP A 30 6.400 -4.006 -11.293 1.00 0.00 O ATOM 446 CB ASP A 30 3.599 -3.045 -11.010 1.00 0.00 C ATOM 447 CG ASP A 30 2.278 -2.574 -10.437 1.00 0.00 C ATOM 448 OD1 ASP A 30 1.435 -3.432 -10.103 1.00 0.00 O ATOM 449 OD2 ASP A 30 2.086 -1.345 -10.320 1.00 0.00 O ATOM 0 H ASP A 30 4.521 -2.340 -8.833 1.00 0.00 H new ATOM 0 HA ASP A 30 3.632 -4.791 -9.758 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.237 -2.182 -11.201 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.423 -3.530 -11.970 1.00 0.00 H new ATOM 454 N ALA A 31 5.419 -5.998 -10.933 1.00 0.00 N ATOM 455 CA ALA A 31 6.454 -6.759 -11.622 1.00 0.00 C ATOM 456 C ALA A 31 6.061 -7.032 -13.069 1.00 0.00 C ATOM 457 O ALA A 31 6.862 -6.853 -13.986 1.00 0.00 O ATOM 458 CB ALA A 31 6.720 -8.066 -10.892 1.00 0.00 C ATOM 0 H ALA A 31 4.663 -6.566 -10.551 1.00 0.00 H new ATOM 0 HA ALA A 31 7.367 -6.164 -11.626 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.495 -8.625 -11.417 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.051 -7.854 -9.875 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.805 -8.657 -10.860 1.00 0.00 H new ATOM 464 N ASP A 32 4.819 -7.466 -13.266 1.00 0.00 N ATOM 465 CA ASP A 32 4.317 -7.763 -14.602 1.00 0.00 C ATOM 466 C ASP A 32 4.262 -6.501 -15.461 1.00 0.00 C ATOM 467 O ASP A 32 4.205 -6.578 -16.688 1.00 0.00 O ATOM 468 CB ASP A 32 2.926 -8.395 -14.517 1.00 0.00 C ATOM 469 CG ASP A 32 1.992 -7.614 -13.614 1.00 0.00 C ATOM 470 OD1 ASP A 32 2.298 -7.486 -12.409 1.00 0.00 O ATOM 471 OD2 ASP A 32 0.954 -7.128 -14.112 1.00 0.00 O ATOM 0 H ASP A 32 4.143 -7.619 -12.518 1.00 0.00 H new ATOM 0 HA ASP A 32 5.004 -8.468 -15.070 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.495 -8.455 -15.516 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.016 -9.416 -14.147 1.00 0.00 H new ATOM 476 N GLY A 33 4.282 -5.343 -14.808 1.00 0.00 N ATOM 477 CA GLY A 33 4.235 -4.086 -15.532 1.00 0.00 C ATOM 478 C GLY A 33 3.444 -3.022 -14.796 1.00 0.00 C ATOM 479 O GLY A 33 3.999 -2.008 -14.373 1.00 0.00 O ATOM 0 H GLY A 33 4.330 -5.253 -13.793 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.251 -3.728 -15.699 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.790 -4.252 -16.513 1.00 0.00 H new ATOM 483 N GLY A 34 2.144 -3.254 -14.642 1.00 0.00 N ATOM 484 CA GLY A 34 1.299 -2.297 -13.951 1.00 0.00 C ATOM 485 C GLY A 34 -0.013 -2.903 -13.493 1.00 0.00 C ATOM 486 O GLY A 34 -1.043 -2.229 -13.477 1.00 0.00 O ATOM 0 H GLY A 34 1.662 -4.086 -14.983 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.834 -1.903 -13.087 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.095 -1.454 -14.612 1.00 0.00 H new ATOM 490 N GLY A 35 0.022 -4.178 -13.118 1.00 0.00 N ATOM 491 CA GLY A 35 -1.180 -4.849 -12.660 1.00 0.00 C ATOM 492 C GLY A 35 -1.551 -4.459 -11.244 1.00 0.00 C ATOM 493 O GLY A 35 -2.038 -3.353 -11.005 1.00 0.00 O ATOM 0 H GLY A 35 0.861 -4.758 -13.123 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.006 -4.608 -13.329 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.033 -5.928 -12.711 1.00 0.00 H new ATOM 497 N ASP A 36 -1.316 -5.365 -10.301 1.00 0.00 N ATOM 498 CA ASP A 36 -1.624 -5.106 -8.899 1.00 0.00 C ATOM 499 C ASP A 36 -0.531 -5.654 -7.992 1.00 0.00 C ATOM 500 O ASP A 36 0.464 -6.207 -8.461 1.00 0.00 O ATOM 501 CB ASP A 36 -2.969 -5.727 -8.520 1.00 0.00 C ATOM 502 CG ASP A 36 -4.139 -5.021 -9.175 1.00 0.00 C ATOM 503 OD1 ASP A 36 -3.987 -3.838 -9.544 1.00 0.00 O ATOM 504 OD2 ASP A 36 -5.209 -5.651 -9.318 1.00 0.00 O ATOM 0 H ASP A 36 -0.914 -6.285 -10.482 1.00 0.00 H new ATOM 0 HA ASP A 36 -1.681 -4.026 -8.764 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -2.975 -6.778 -8.809 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.089 -5.694 -7.437 1.00 0.00 H new ATOM 509 N ILE A 37 -0.722 -5.490 -6.689 1.00 0.00 N ATOM 510 CA ILE A 37 0.245 -5.959 -5.707 1.00 0.00 C ATOM 511 C ILE A 37 -0.311 -7.127 -4.896 1.00 0.00 C ATOM 512 O ILE A 37 -1.316 -6.992 -4.198 1.00 0.00 O ATOM 513 CB ILE A 37 0.650 -4.812 -4.758 1.00 0.00 C ATOM 514 CG1 ILE A 37 1.414 -3.741 -5.536 1.00 0.00 C ATOM 515 CG2 ILE A 37 1.485 -5.326 -3.595 1.00 0.00 C ATOM 516 CD1 ILE A 37 1.619 -2.468 -4.754 1.00 0.00 C ATOM 0 H ILE A 37 -1.541 -5.034 -6.288 1.00 0.00 H new ATOM 0 HA ILE A 37 1.125 -6.304 -6.249 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.257 -4.373 -4.343 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.385 -4.139 -5.830 1.00 0.00 H new ATOM 0 HG13 ILE A 37 0.872 -3.512 -6.454 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.754 -4.494 -2.945 1.00 0.00 H new ATOM 0 HG22 ILE A 37 0.909 -6.057 -3.028 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.391 -5.796 -3.977 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.168 -1.750 -5.364 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.651 -2.048 -4.482 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.187 -2.684 -3.849 1.00 0.00 H new ATOM 528 N SER A 38 0.358 -8.272 -4.992 1.00 0.00 N ATOM 529 CA SER A 38 -0.056 -9.467 -4.267 1.00 0.00 C ATOM 530 C SER A 38 0.832 -9.693 -3.046 1.00 0.00 C ATOM 531 O SER A 38 1.526 -8.779 -2.596 1.00 0.00 O ATOM 532 CB SER A 38 -0.005 -10.688 -5.190 1.00 0.00 C ATOM 533 OG SER A 38 -0.954 -11.664 -4.796 1.00 0.00 O ATOM 0 H SER A 38 1.191 -8.397 -5.567 1.00 0.00 H new ATOM 0 HA SER A 38 -1.081 -9.324 -3.925 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.200 -10.380 -6.217 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.995 -11.120 -5.172 1.00 0.00 H new ATOM 0 HG SER A 38 -1.747 -11.220 -4.429 1.00 0.00 H new ATOM 539 N THR A 39 0.807 -10.910 -2.510 1.00 0.00 N ATOM 540 CA THR A 39 1.610 -11.248 -1.338 1.00 0.00 C ATOM 541 C THR A 39 3.097 -11.284 -1.678 1.00 0.00 C ATOM 542 O THR A 39 3.945 -11.049 -0.817 1.00 0.00 O ATOM 543 CB THR A 39 1.175 -12.601 -0.771 1.00 0.00 C ATOM 544 OG1 THR A 39 1.302 -13.618 -1.750 1.00 0.00 O ATOM 545 CG2 THR A 39 -0.256 -12.614 -0.279 1.00 0.00 C ATOM 0 H THR A 39 0.240 -11.678 -2.868 1.00 0.00 H new ATOM 0 HA THR A 39 1.449 -10.473 -0.588 1.00 0.00 H new ATOM 0 HB THR A 39 1.834 -12.783 0.078 1.00 0.00 H new ATOM 0 HG1 THR A 39 1.021 -14.476 -1.369 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.498 -13.603 0.110 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.375 -11.874 0.512 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.927 -12.374 -1.104 1.00 0.00 H new ATOM 553 N LYS A 40 3.410 -11.586 -2.934 1.00 0.00 N ATOM 554 CA LYS A 40 4.797 -11.659 -3.379 1.00 0.00 C ATOM 555 C LYS A 40 5.330 -10.283 -3.771 1.00 0.00 C ATOM 556 O LYS A 40 6.534 -10.034 -3.709 1.00 0.00 O ATOM 557 CB LYS A 40 4.923 -12.624 -4.561 1.00 0.00 C ATOM 558 CG LYS A 40 6.092 -13.587 -4.436 1.00 0.00 C ATOM 559 CD LYS A 40 6.729 -13.867 -5.788 1.00 0.00 C ATOM 560 CE LYS A 40 8.021 -13.086 -5.969 1.00 0.00 C ATOM 561 NZ LYS A 40 9.033 -13.439 -4.936 1.00 0.00 N ATOM 0 H LYS A 40 2.723 -11.784 -3.661 1.00 0.00 H new ATOM 0 HA LYS A 40 5.395 -12.029 -2.546 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.000 -13.196 -4.653 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.034 -12.048 -5.480 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.838 -13.169 -3.760 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.749 -14.522 -3.993 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.932 -14.934 -5.882 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.030 -13.604 -6.582 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.429 -13.285 -6.960 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.809 -12.018 -5.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.988 -13.325 -5.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.922 -12.813 -4.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.897 -14.427 -4.640 1.00 0.00 H new ATOM 575 N GLU A 41 4.430 -9.394 -4.181 1.00 0.00 N ATOM 576 CA GLU A 41 4.818 -8.047 -4.587 1.00 0.00 C ATOM 577 C GLU A 41 5.176 -7.182 -3.381 1.00 0.00 C ATOM 578 O GLU A 41 5.881 -6.182 -3.514 1.00 0.00 O ATOM 579 CB GLU A 41 3.691 -7.389 -5.386 1.00 0.00 C ATOM 580 CG GLU A 41 3.510 -7.977 -6.776 1.00 0.00 C ATOM 581 CD GLU A 41 3.261 -6.915 -7.830 1.00 0.00 C ATOM 582 OE1 GLU A 41 2.936 -5.769 -7.455 1.00 0.00 O ATOM 583 OE2 GLU A 41 3.392 -7.229 -9.033 1.00 0.00 O ATOM 0 H GLU A 41 3.429 -9.581 -4.241 1.00 0.00 H new ATOM 0 HA GLU A 41 5.704 -8.132 -5.217 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.757 -7.490 -4.833 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.895 -6.322 -5.475 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.399 -8.548 -7.044 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.674 -8.676 -6.765 1.00 0.00 H new ATOM 590 N LEU A 42 4.686 -7.566 -2.205 1.00 0.00 N ATOM 591 CA LEU A 42 4.960 -6.814 -0.985 1.00 0.00 C ATOM 592 C LEU A 42 6.349 -7.135 -0.443 1.00 0.00 C ATOM 593 O LEU A 42 7.204 -6.256 -0.347 1.00 0.00 O ATOM 594 CB LEU A 42 3.898 -7.110 0.076 1.00 0.00 C ATOM 595 CG LEU A 42 3.052 -5.905 0.496 1.00 0.00 C ATOM 596 CD1 LEU A 42 3.941 -4.760 0.966 1.00 0.00 C ATOM 597 CD2 LEU A 42 2.158 -5.457 -0.650 1.00 0.00 C ATOM 0 H LEU A 42 4.100 -8.390 -2.072 1.00 0.00 H new ATOM 0 HA LEU A 42 4.927 -5.753 -1.231 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.234 -7.887 -0.303 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.391 -7.515 0.960 1.00 0.00 H new ATOM 0 HG LEU A 42 2.417 -6.205 1.330 1.00 0.00 H new ATOM 0 HD11 LEU A 42 3.320 -3.914 1.260 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.535 -5.087 1.819 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.605 -4.459 0.156 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.564 -4.600 -0.334 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.774 -5.176 -1.504 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.494 -6.274 -0.934 1.00 0.00 H new ATOM 609 N GLY A 43 6.567 -8.400 -0.090 1.00 0.00 N ATOM 610 CA GLY A 43 7.856 -8.813 0.441 1.00 0.00 C ATOM 611 C GLY A 43 9.020 -8.278 -0.373 1.00 0.00 C ATOM 612 O GLY A 43 10.110 -8.066 0.155 1.00 0.00 O ATOM 0 H GLY A 43 5.875 -9.146 -0.162 1.00 0.00 H new ATOM 0 HA2 GLY A 43 7.948 -8.468 1.471 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.903 -9.902 0.464 1.00 0.00 H new ATOM 616 N THR A 44 8.784 -8.059 -1.661 1.00 0.00 N ATOM 617 CA THR A 44 9.814 -7.545 -2.555 1.00 0.00 C ATOM 618 C THR A 44 10.354 -6.205 -2.055 1.00 0.00 C ATOM 619 O THR A 44 11.453 -6.130 -1.504 1.00 0.00 O ATOM 620 CB THR A 44 9.245 -7.402 -3.975 1.00 0.00 C ATOM 621 OG1 THR A 44 9.387 -8.615 -4.693 1.00 0.00 O ATOM 622 CG2 THR A 44 9.896 -6.308 -4.799 1.00 0.00 C ATOM 0 H THR A 44 7.885 -8.230 -2.111 1.00 0.00 H new ATOM 0 HA THR A 44 10.643 -8.252 -2.574 1.00 0.00 H new ATOM 0 HB THR A 44 8.198 -7.137 -3.828 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.018 -8.507 -5.594 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.436 -6.274 -5.787 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.759 -5.348 -4.302 1.00 0.00 H new ATOM 0 HG23 THR A 44 10.961 -6.515 -4.901 1.00 0.00 H new ATOM 630 N VAL A 45 9.576 -5.149 -2.268 1.00 0.00 N ATOM 631 CA VAL A 45 9.968 -3.805 -1.860 1.00 0.00 C ATOM 632 C VAL A 45 10.077 -3.682 -0.342 1.00 0.00 C ATOM 633 O VAL A 45 10.800 -2.825 0.166 1.00 0.00 O ATOM 634 CB VAL A 45 8.961 -2.762 -2.380 1.00 0.00 C ATOM 635 CG1 VAL A 45 7.569 -3.050 -1.838 1.00 0.00 C ATOM 636 CG2 VAL A 45 9.409 -1.348 -2.022 1.00 0.00 C ATOM 0 H VAL A 45 8.665 -5.199 -2.724 1.00 0.00 H new ATOM 0 HA VAL A 45 10.950 -3.616 -2.295 1.00 0.00 H new ATOM 0 HB VAL A 45 8.923 -2.832 -3.467 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.870 -2.304 -2.215 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.251 -4.041 -2.161 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.588 -3.012 -0.749 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.682 -0.629 -2.400 1.00 0.00 H new ATOM 0 HG22 VAL A 45 9.484 -1.253 -0.939 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.382 -1.150 -2.471 1.00 0.00 H new ATOM 646 N MET A 46 9.356 -4.531 0.380 1.00 0.00 N ATOM 647 CA MET A 46 9.377 -4.496 1.836 1.00 0.00 C ATOM 648 C MET A 46 10.661 -5.111 2.388 1.00 0.00 C ATOM 649 O MET A 46 11.149 -4.703 3.442 1.00 0.00 O ATOM 650 CB MET A 46 8.158 -5.224 2.405 1.00 0.00 C ATOM 651 CG MET A 46 6.939 -4.332 2.575 1.00 0.00 C ATOM 652 SD MET A 46 7.241 -2.942 3.685 1.00 0.00 S ATOM 653 CE MET A 46 5.618 -2.729 4.414 1.00 0.00 C ATOM 0 H MET A 46 8.751 -5.250 -0.018 1.00 0.00 H new ATOM 0 HA MET A 46 9.343 -3.451 2.144 1.00 0.00 H new ATOM 0 HB2 MET A 46 7.901 -6.054 1.747 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.421 -5.654 3.372 1.00 0.00 H new ATOM 0 HG2 MET A 46 6.633 -3.953 1.600 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.110 -4.926 2.961 1.00 0.00 H new ATOM 0 HE1 MET A 46 5.644 -1.903 5.125 1.00 0.00 H new ATOM 0 HE2 MET A 46 4.893 -2.510 3.630 1.00 0.00 H new ATOM 0 HE3 MET A 46 5.328 -3.644 4.931 1.00 0.00 H new ATOM 663 N ARG A 47 11.204 -6.095 1.676 1.00 0.00 N ATOM 664 CA ARG A 47 12.429 -6.763 2.109 1.00 0.00 C ATOM 665 C ARG A 47 13.670 -5.983 1.680 1.00 0.00 C ATOM 666 O ARG A 47 14.694 -6.008 2.363 1.00 0.00 O ATOM 667 CB ARG A 47 12.493 -8.183 1.544 1.00 0.00 C ATOM 668 CG ARG A 47 11.538 -9.151 2.223 1.00 0.00 C ATOM 669 CD ARG A 47 11.478 -10.481 1.489 1.00 0.00 C ATOM 670 NE ARG A 47 12.536 -11.392 1.920 1.00 0.00 N ATOM 671 CZ ARG A 47 12.942 -12.445 1.214 1.00 0.00 C ATOM 672 NH1 ARG A 47 12.381 -12.725 0.044 1.00 0.00 N ATOM 673 NH2 ARG A 47 13.912 -13.220 1.679 1.00 0.00 N ATOM 0 H ARG A 47 10.817 -6.447 0.800 1.00 0.00 H new ATOM 0 HA ARG A 47 12.411 -6.809 3.198 1.00 0.00 H new ATOM 0 HB2 ARG A 47 12.268 -8.151 0.478 1.00 0.00 H new ATOM 0 HB3 ARG A 47 13.511 -8.559 1.644 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.856 -9.316 3.252 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.541 -8.712 2.264 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.507 -10.946 1.660 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.564 -10.307 0.416 1.00 0.00 H new ATOM 0 HE ARG A 47 12.990 -11.210 2.815 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.635 -12.132 -0.319 1.00 0.00 H new ATOM 0 HH12 ARG A 47 12.696 -13.533 -0.492 1.00 0.00 H new ATOM 0 HH21 ARG A 47 14.347 -13.009 2.577 1.00 0.00 H new ATOM 0 HH22 ARG A 47 14.223 -14.027 1.138 1.00 0.00 H new ATOM 687 N MET A 48 13.575 -5.294 0.548 1.00 0.00 N ATOM 688 CA MET A 48 14.698 -4.514 0.036 1.00 0.00 C ATOM 689 C MET A 48 14.670 -3.081 0.566 1.00 0.00 C ATOM 690 O MET A 48 15.424 -2.227 0.101 1.00 0.00 O ATOM 691 CB MET A 48 14.685 -4.505 -1.493 1.00 0.00 C ATOM 692 CG MET A 48 13.427 -3.891 -2.087 1.00 0.00 C ATOM 693 SD MET A 48 13.782 -2.697 -3.390 1.00 0.00 S ATOM 694 CE MET A 48 12.388 -1.588 -3.219 1.00 0.00 C ATOM 0 H MET A 48 12.736 -5.259 -0.031 1.00 0.00 H new ATOM 0 HA MET A 48 15.616 -4.986 0.385 1.00 0.00 H new ATOM 0 HB2 MET A 48 15.553 -3.953 -1.852 1.00 0.00 H new ATOM 0 HB3 MET A 48 14.786 -5.528 -1.855 1.00 0.00 H new ATOM 0 HG2 MET A 48 12.796 -4.684 -2.489 1.00 0.00 H new ATOM 0 HG3 MET A 48 12.859 -3.401 -1.296 1.00 0.00 H new ATOM 0 HE1 MET A 48 12.473 -0.782 -3.947 1.00 0.00 H new ATOM 0 HE2 MET A 48 11.463 -2.137 -3.392 1.00 0.00 H new ATOM 0 HE3 MET A 48 12.378 -1.169 -2.213 1.00 0.00 H new ATOM 704 N LEU A 49 13.799 -2.820 1.537 1.00 0.00 N ATOM 705 CA LEU A 49 13.684 -1.487 2.118 1.00 0.00 C ATOM 706 C LEU A 49 14.008 -1.509 3.609 1.00 0.00 C ATOM 707 O LEU A 49 14.625 -0.583 4.132 1.00 0.00 O ATOM 708 CB LEU A 49 12.277 -0.933 1.895 1.00 0.00 C ATOM 709 CG LEU A 49 12.035 -0.328 0.512 1.00 0.00 C ATOM 710 CD1 LEU A 49 10.631 0.252 0.422 1.00 0.00 C ATOM 711 CD2 LEU A 49 13.080 0.735 0.206 1.00 0.00 C ATOM 0 H LEU A 49 13.165 -3.512 1.937 1.00 0.00 H new ATOM 0 HA LEU A 49 14.406 -0.838 1.622 1.00 0.00 H new ATOM 0 HB2 LEU A 49 11.557 -1.735 2.056 1.00 0.00 H new ATOM 0 HB3 LEU A 49 12.079 -0.171 2.649 1.00 0.00 H new ATOM 0 HG LEU A 49 12.125 -1.119 -0.233 1.00 0.00 H new ATOM 0 HD11 LEU A 49 10.476 0.678 -0.569 1.00 0.00 H new ATOM 0 HD12 LEU A 49 9.899 -0.537 0.596 1.00 0.00 H new ATOM 0 HD13 LEU A 49 10.510 1.031 1.175 1.00 0.00 H new ATOM 0 HD21 LEU A 49 12.893 1.155 -0.782 1.00 0.00 H new ATOM 0 HD22 LEU A 49 13.024 1.526 0.953 1.00 0.00 H new ATOM 0 HD23 LEU A 49 14.073 0.286 0.227 1.00 0.00 H new ATOM 723 N GLY A 50 13.586 -2.571 4.289 1.00 0.00 N ATOM 724 CA GLY A 50 13.844 -2.688 5.712 1.00 0.00 C ATOM 725 C GLY A 50 12.840 -3.579 6.416 1.00 0.00 C ATOM 726 O GLY A 50 13.183 -4.284 7.365 1.00 0.00 O ATOM 0 H GLY A 50 13.071 -3.351 3.880 1.00 0.00 H new ATOM 0 HA2 GLY A 50 14.847 -3.087 5.864 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.823 -1.696 6.164 1.00 0.00 H new ATOM 730 N GLN A 51 11.595 -3.550 5.950 1.00 0.00 N ATOM 731 CA GLN A 51 10.539 -4.361 6.543 1.00 0.00 C ATOM 732 C GLN A 51 10.785 -5.844 6.284 1.00 0.00 C ATOM 733 O GLN A 51 11.489 -6.211 5.344 1.00 0.00 O ATOM 734 CB GLN A 51 9.176 -3.950 5.984 1.00 0.00 C ATOM 735 CG GLN A 51 8.085 -3.872 7.040 1.00 0.00 C ATOM 736 CD GLN A 51 7.861 -2.460 7.544 1.00 0.00 C ATOM 737 OE1 GLN A 51 7.692 -1.527 6.757 1.00 0.00 O ATOM 738 NE2 GLN A 51 7.857 -2.294 8.861 1.00 0.00 N ATOM 0 H GLN A 51 11.294 -2.974 5.164 1.00 0.00 H new ATOM 0 HA GLN A 51 10.545 -4.193 7.620 1.00 0.00 H new ATOM 0 HB2 GLN A 51 9.270 -2.979 5.498 1.00 0.00 H new ATOM 0 HB3 GLN A 51 8.877 -4.664 5.216 1.00 0.00 H new ATOM 0 HG2 GLN A 51 7.154 -4.257 6.624 1.00 0.00 H new ATOM 0 HG3 GLN A 51 8.350 -4.515 7.879 1.00 0.00 H new ATOM 0 HE21 GLN A 51 8.001 -3.095 9.476 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.710 -1.366 9.258 1.00 0.00 H new ATOM 747 N ASN A 52 10.203 -6.692 7.124 1.00 0.00 N ATOM 748 CA ASN A 52 10.364 -8.134 6.980 1.00 0.00 C ATOM 749 C ASN A 52 9.081 -8.872 7.359 1.00 0.00 C ATOM 750 O ASN A 52 9.110 -9.819 8.146 1.00 0.00 O ATOM 751 CB ASN A 52 11.522 -8.622 7.848 1.00 0.00 C ATOM 752 CG ASN A 52 12.228 -9.822 7.249 1.00 0.00 C ATOM 753 OD1 ASN A 52 11.937 -10.966 7.598 1.00 0.00 O ATOM 754 ND2 ASN A 52 13.163 -9.568 6.341 1.00 0.00 N ATOM 0 H ASN A 52 9.617 -6.407 7.909 1.00 0.00 H new ATOM 0 HA ASN A 52 10.583 -8.347 5.934 1.00 0.00 H new ATOM 0 HB2 ASN A 52 12.239 -7.812 7.982 1.00 0.00 H new ATOM 0 HB3 ASN A 52 11.146 -8.882 8.838 1.00 0.00 H new ATOM 0 HD21 ASN A 52 13.671 -10.337 5.904 1.00 0.00 H new ATOM 0 HD22 ASN A 52 13.373 -8.604 6.081 1.00 0.00 H new ATOM 761 N PRO A 53 7.933 -8.454 6.799 1.00 0.00 N ATOM 762 CA PRO A 53 6.643 -9.088 7.083 1.00 0.00 C ATOM 763 C PRO A 53 6.562 -10.500 6.514 1.00 0.00 C ATOM 764 O PRO A 53 6.463 -10.686 5.301 1.00 0.00 O ATOM 765 CB PRO A 53 5.633 -8.171 6.389 1.00 0.00 C ATOM 766 CG PRO A 53 6.408 -7.502 5.309 1.00 0.00 C ATOM 767 CD PRO A 53 7.803 -7.337 5.845 1.00 0.00 C ATOM 0 HA PRO A 53 6.467 -9.199 8.153 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.797 -8.740 5.982 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.215 -7.444 7.085 1.00 0.00 H new ATOM 0 HG2 PRO A 53 6.408 -8.102 4.399 1.00 0.00 H new ATOM 0 HG3 PRO A 53 5.970 -6.537 5.055 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.548 -7.396 5.052 1.00 0.00 H new ATOM 0 HD3 PRO A 53 7.935 -6.372 6.335 1.00 0.00 H new ATOM 775 N THR A 54 6.609 -11.495 7.396 1.00 0.00 N ATOM 776 CA THR A 54 6.545 -12.892 6.980 1.00 0.00 C ATOM 777 C THR A 54 5.310 -13.151 6.121 1.00 0.00 C ATOM 778 O THR A 54 4.459 -12.277 5.958 1.00 0.00 O ATOM 779 CB THR A 54 6.537 -13.813 8.201 1.00 0.00 C ATOM 780 OG1 THR A 54 6.220 -15.142 7.826 1.00 0.00 O ATOM 781 CG2 THR A 54 5.548 -13.390 9.266 1.00 0.00 C ATOM 0 H THR A 54 6.691 -11.359 8.404 1.00 0.00 H new ATOM 0 HA THR A 54 7.431 -13.105 6.381 1.00 0.00 H new ATOM 0 HB THR A 54 7.543 -13.748 8.616 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.222 -15.715 8.621 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.595 -14.087 10.103 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.795 -12.387 9.614 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.541 -13.391 8.849 1.00 0.00 H new ATOM 789 N LYS A 55 5.222 -14.358 5.572 1.00 0.00 N ATOM 790 CA LYS A 55 4.097 -14.738 4.724 1.00 0.00 C ATOM 791 C LYS A 55 2.765 -14.528 5.440 1.00 0.00 C ATOM 792 O LYS A 55 1.727 -14.370 4.798 1.00 0.00 O ATOM 793 CB LYS A 55 4.230 -16.200 4.293 1.00 0.00 C ATOM 794 CG LYS A 55 3.221 -16.617 3.234 1.00 0.00 C ATOM 795 CD LYS A 55 3.881 -16.810 1.879 1.00 0.00 C ATOM 796 CE LYS A 55 3.924 -15.510 1.091 1.00 0.00 C ATOM 797 NZ LYS A 55 5.215 -14.791 1.275 1.00 0.00 N ATOM 0 H LYS A 55 5.918 -15.092 5.700 1.00 0.00 H new ATOM 0 HA LYS A 55 4.114 -14.098 3.842 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.237 -16.367 3.909 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.112 -16.840 5.167 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.735 -17.544 3.538 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.441 -15.860 3.155 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.894 -17.187 2.017 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.335 -17.563 1.311 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.774 -15.722 0.032 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.102 -14.867 1.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.117 -13.811 0.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.471 -14.789 2.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.960 -15.270 0.730 1.00 0.00 H new ATOM 811 N CYS A 56 2.797 -14.530 6.770 1.00 0.00 N ATOM 812 CA CYS A 56 1.587 -14.344 7.563 1.00 0.00 C ATOM 813 C CYS A 56 1.254 -12.863 7.728 1.00 0.00 C ATOM 814 O CYS A 56 0.087 -12.489 7.847 1.00 0.00 O ATOM 815 CB CYS A 56 1.749 -14.994 8.938 1.00 0.00 C ATOM 816 SG CYS A 56 1.613 -16.798 8.922 1.00 0.00 S ATOM 0 H CYS A 56 3.647 -14.658 7.320 1.00 0.00 H new ATOM 0 HA CYS A 56 0.764 -14.823 7.032 1.00 0.00 H new ATOM 0 HB2 CYS A 56 2.721 -14.717 9.347 1.00 0.00 H new ATOM 0 HB3 CYS A 56 0.993 -14.589 9.611 1.00 0.00 H new ATOM 0 HG CYS A 56 1.766 -17.255 10.129 1.00 0.00 H new ATOM 822 N GLU A 57 2.285 -12.025 7.736 1.00 0.00 N ATOM 823 CA GLU A 57 2.099 -10.586 7.890 1.00 0.00 C ATOM 824 C GLU A 57 1.375 -9.995 6.688 1.00 0.00 C ATOM 825 O GLU A 57 0.354 -9.322 6.832 1.00 0.00 O ATOM 826 CB GLU A 57 3.451 -9.892 8.063 1.00 0.00 C ATOM 827 CG GLU A 57 4.160 -10.257 9.357 1.00 0.00 C ATOM 828 CD GLU A 57 4.805 -9.059 10.026 1.00 0.00 C ATOM 829 OE1 GLU A 57 4.141 -8.005 10.124 1.00 0.00 O ATOM 830 OE2 GLU A 57 5.973 -9.174 10.452 1.00 0.00 O ATOM 0 H GLU A 57 3.257 -12.317 7.638 1.00 0.00 H new ATOM 0 HA GLU A 57 1.490 -10.422 8.779 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.093 -10.150 7.221 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.303 -8.813 8.031 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.445 -10.711 10.043 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.923 -11.007 9.150 1.00 0.00 H new ATOM 837 N LEU A 58 1.915 -10.246 5.503 1.00 0.00 N ATOM 838 CA LEU A 58 1.331 -9.736 4.270 1.00 0.00 C ATOM 839 C LEU A 58 0.027 -10.457 3.932 1.00 0.00 C ATOM 840 O LEU A 58 -0.751 -9.987 3.102 1.00 0.00 O ATOM 841 CB LEU A 58 2.332 -9.880 3.121 1.00 0.00 C ATOM 842 CG LEU A 58 3.766 -9.463 3.463 1.00 0.00 C ATOM 843 CD1 LEU A 58 4.759 -10.167 2.550 1.00 0.00 C ATOM 844 CD2 LEU A 58 3.921 -7.954 3.357 1.00 0.00 C ATOM 0 H LEU A 58 2.760 -10.802 5.370 1.00 0.00 H new ATOM 0 HA LEU A 58 1.099 -8.681 4.414 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.339 -10.919 2.792 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.985 -9.281 2.279 1.00 0.00 H new ATOM 0 HG LEU A 58 3.975 -9.759 4.491 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.772 -9.858 2.808 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.666 -11.246 2.674 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.552 -9.902 1.513 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.946 -7.675 3.603 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.693 -7.635 2.340 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.236 -7.468 4.052 1.00 0.00 H new ATOM 856 N ASP A 59 -0.214 -11.592 4.583 1.00 0.00 N ATOM 857 CA ASP A 59 -1.431 -12.362 4.350 1.00 0.00 C ATOM 858 C ASP A 59 -2.583 -11.816 5.181 1.00 0.00 C ATOM 859 O ASP A 59 -3.745 -11.912 4.788 1.00 0.00 O ATOM 860 CB ASP A 59 -1.204 -13.839 4.676 1.00 0.00 C ATOM 861 CG ASP A 59 -0.914 -14.667 3.440 1.00 0.00 C ATOM 862 OD1 ASP A 59 -1.564 -14.429 2.400 1.00 0.00 O ATOM 863 OD2 ASP A 59 -0.037 -15.555 3.511 1.00 0.00 O ATOM 0 H ASP A 59 0.416 -11.998 5.275 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.690 -12.271 3.295 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.372 -13.930 5.374 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.086 -14.237 5.178 1.00 0.00 H new ATOM 868 N ALA A 60 -2.255 -11.239 6.330 1.00 0.00 N ATOM 869 CA ALA A 60 -3.271 -10.677 7.205 1.00 0.00 C ATOM 870 C ALA A 60 -3.799 -9.363 6.644 1.00 0.00 C ATOM 871 O ALA A 60 -4.970 -9.027 6.818 1.00 0.00 O ATOM 872 CB ALA A 60 -2.715 -10.477 8.607 1.00 0.00 C ATOM 0 H ALA A 60 -1.299 -11.149 6.675 1.00 0.00 H new ATOM 0 HA ALA A 60 -4.102 -11.380 7.261 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.489 -10.056 9.249 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.392 -11.437 9.011 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.865 -9.795 8.568 1.00 0.00 H new ATOM 878 N ILE A 61 -2.927 -8.630 5.962 1.00 0.00 N ATOM 879 CA ILE A 61 -3.299 -7.360 5.363 1.00 0.00 C ATOM 880 C ILE A 61 -4.057 -7.592 4.057 1.00 0.00 C ATOM 881 O ILE A 61 -5.237 -7.260 3.946 1.00 0.00 O ATOM 882 CB ILE A 61 -2.050 -6.488 5.102 1.00 0.00 C ATOM 883 CG1 ILE A 61 -1.539 -5.891 6.415 1.00 0.00 C ATOM 884 CG2 ILE A 61 -2.353 -5.383 4.102 1.00 0.00 C ATOM 885 CD1 ILE A 61 -0.454 -6.717 7.071 1.00 0.00 C ATOM 0 H ILE A 61 -1.954 -8.897 5.811 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.948 -6.832 6.062 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.274 -7.124 4.676 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.156 -4.888 6.225 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.374 -5.787 7.107 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.456 -4.785 3.937 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.673 -5.824 3.158 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -3.147 -4.746 4.493 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.139 -6.235 7.996 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.839 -7.712 7.293 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.398 -6.800 6.397 1.00 0.00 H new ATOM 897 N ILE A 62 -3.371 -8.175 3.075 1.00 0.00 N ATOM 898 CA ILE A 62 -3.975 -8.463 1.776 1.00 0.00 C ATOM 899 C ILE A 62 -5.366 -9.076 1.937 1.00 0.00 C ATOM 900 O ILE A 62 -6.249 -8.864 1.106 1.00 0.00 O ATOM 901 CB ILE A 62 -3.084 -9.415 0.951 1.00 0.00 C ATOM 902 CG1 ILE A 62 -1.776 -8.713 0.582 1.00 0.00 C ATOM 903 CG2 ILE A 62 -3.811 -9.889 -0.302 1.00 0.00 C ATOM 904 CD1 ILE A 62 -0.863 -9.551 -0.284 1.00 0.00 C ATOM 0 H ILE A 62 -2.394 -8.458 3.155 1.00 0.00 H new ATOM 0 HA ILE A 62 -4.068 -7.515 1.245 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.856 -10.292 1.557 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.006 -7.784 0.060 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.248 -8.442 1.496 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.163 -10.559 -0.867 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.720 -10.419 -0.017 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.071 -9.029 -0.919 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.044 -8.989 -0.506 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.602 -10.468 0.244 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.372 -9.800 -1.215 1.00 0.00 H new ATOM 916 N CYS A 63 -5.553 -9.832 3.014 1.00 0.00 N ATOM 917 CA CYS A 63 -6.837 -10.467 3.285 1.00 0.00 C ATOM 918 C CYS A 63 -7.861 -9.431 3.733 1.00 0.00 C ATOM 919 O CYS A 63 -9.020 -9.469 3.319 1.00 0.00 O ATOM 920 CB CYS A 63 -6.680 -11.547 4.357 1.00 0.00 C ATOM 921 SG CYS A 63 -8.198 -12.469 4.699 1.00 0.00 S ATOM 0 H CYS A 63 -4.833 -10.019 3.712 1.00 0.00 H new ATOM 0 HA CYS A 63 -7.191 -10.933 2.365 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -5.905 -12.246 4.043 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -6.334 -11.081 5.280 1.00 0.00 H new ATOM 0 HG CYS A 63 -7.967 -13.361 5.616 1.00 0.00 H new ATOM 927 N GLU A 64 -7.422 -8.500 4.575 1.00 0.00 N ATOM 928 CA GLU A 64 -8.296 -7.447 5.074 1.00 0.00 C ATOM 929 C GLU A 64 -8.537 -6.397 3.994 1.00 0.00 C ATOM 930 O GLU A 64 -9.654 -5.908 3.827 1.00 0.00 O ATOM 931 CB GLU A 64 -7.686 -6.791 6.314 1.00 0.00 C ATOM 932 CG GLU A 64 -8.709 -6.435 7.381 1.00 0.00 C ATOM 933 CD GLU A 64 -8.167 -6.599 8.787 1.00 0.00 C ATOM 934 OE1 GLU A 64 -6.981 -6.271 9.007 1.00 0.00 O ATOM 935 OE2 GLU A 64 -8.926 -7.054 9.668 1.00 0.00 O ATOM 0 H GLU A 64 -6.465 -8.455 4.925 1.00 0.00 H new ATOM 0 HA GLU A 64 -9.252 -7.895 5.347 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.945 -7.465 6.744 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.158 -5.886 6.013 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.033 -5.404 7.239 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -9.590 -7.066 7.259 1.00 0.00 H new ATOM 942 N VAL A 65 -7.481 -6.061 3.260 1.00 0.00 N ATOM 943 CA VAL A 65 -7.575 -5.077 2.189 1.00 0.00 C ATOM 944 C VAL A 65 -8.503 -5.567 1.082 1.00 0.00 C ATOM 945 O VAL A 65 -9.415 -4.855 0.661 1.00 0.00 O ATOM 946 CB VAL A 65 -6.191 -4.768 1.584 1.00 0.00 C ATOM 947 CG1 VAL A 65 -6.298 -3.678 0.528 1.00 0.00 C ATOM 948 CG2 VAL A 65 -5.202 -4.370 2.672 1.00 0.00 C ATOM 0 H VAL A 65 -6.550 -6.457 3.388 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.980 -4.165 2.628 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.820 -5.673 1.104 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.311 -3.475 0.113 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -6.965 -4.007 -0.269 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -6.695 -2.770 0.981 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.232 -4.157 2.222 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.566 -3.481 3.187 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.099 -5.187 3.386 1.00 0.00 H new ATOM 958 N ASP A 66 -8.262 -6.788 0.615 1.00 0.00 N ATOM 959 CA ASP A 66 -9.071 -7.376 -0.444 1.00 0.00 C ATOM 960 C ASP A 66 -10.421 -7.837 0.094 1.00 0.00 C ATOM 961 O ASP A 66 -10.620 -9.020 0.369 1.00 0.00 O ATOM 962 CB ASP A 66 -8.334 -8.557 -1.079 1.00 0.00 C ATOM 963 CG ASP A 66 -7.152 -8.115 -1.920 1.00 0.00 C ATOM 964 OD1 ASP A 66 -7.260 -7.068 -2.592 1.00 0.00 O ATOM 965 OD2 ASP A 66 -6.118 -8.816 -1.904 1.00 0.00 O ATOM 0 H ASP A 66 -7.511 -7.389 0.955 1.00 0.00 H new ATOM 0 HA ASP A 66 -9.244 -6.612 -1.202 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -7.987 -9.230 -0.295 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.028 -9.123 -1.701 1.00 0.00 H new ATOM 970 N GLU A 67 -11.347 -6.895 0.239 1.00 0.00 N ATOM 971 CA GLU A 67 -12.680 -7.206 0.741 1.00 0.00 C ATOM 972 C GLU A 67 -13.400 -8.172 -0.195 1.00 0.00 C ATOM 973 O GLU A 67 -14.228 -8.972 0.241 1.00 0.00 O ATOM 974 CB GLU A 67 -13.498 -5.923 0.904 1.00 0.00 C ATOM 975 CG GLU A 67 -13.719 -5.524 2.354 1.00 0.00 C ATOM 976 CD GLU A 67 -14.635 -6.485 3.088 1.00 0.00 C ATOM 977 OE1 GLU A 67 -14.426 -7.711 2.968 1.00 0.00 O ATOM 978 OE2 GLU A 67 -15.557 -6.012 3.784 1.00 0.00 O ATOM 0 H GLU A 67 -11.199 -5.911 0.016 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.575 -7.685 1.715 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.991 -5.110 0.385 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -14.466 -6.055 0.420 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -12.758 -5.481 2.866 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -14.145 -4.521 2.391 1.00 0.00 H new ATOM 985 N ASP A 68 -13.078 -8.092 -1.482 1.00 0.00 N ATOM 986 CA ASP A 68 -13.694 -8.959 -2.480 1.00 0.00 C ATOM 987 C ASP A 68 -13.102 -10.364 -2.422 1.00 0.00 C ATOM 988 O ASP A 68 -13.770 -11.343 -2.756 1.00 0.00 O ATOM 989 CB ASP A 68 -13.504 -8.370 -3.880 1.00 0.00 C ATOM 990 CG ASP A 68 -12.043 -8.260 -4.270 1.00 0.00 C ATOM 991 OD1 ASP A 68 -11.418 -7.227 -3.946 1.00 0.00 O ATOM 992 OD2 ASP A 68 -11.522 -9.205 -4.898 1.00 0.00 O ATOM 0 H ASP A 68 -12.394 -7.436 -1.858 1.00 0.00 H new ATOM 0 HA ASP A 68 -14.760 -9.026 -2.261 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -14.025 -8.993 -4.607 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -13.963 -7.382 -3.920 1.00 0.00 H new ATOM 997 N GLY A 69 -11.846 -10.457 -1.996 1.00 0.00 N ATOM 998 CA GLY A 69 -11.188 -11.748 -1.903 1.00 0.00 C ATOM 999 C GLY A 69 -10.478 -12.129 -3.188 1.00 0.00 C ATOM 1000 O GLY A 69 -10.773 -13.165 -3.785 1.00 0.00 O ATOM 0 H GLY A 69 -11.272 -9.662 -1.714 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.467 -11.727 -1.085 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.926 -12.512 -1.658 1.00 0.00 H new ATOM 1004 N SER A 70 -9.543 -11.287 -3.617 1.00 0.00 N ATOM 1005 CA SER A 70 -8.791 -11.539 -4.841 1.00 0.00 C ATOM 1006 C SER A 70 -7.307 -11.730 -4.547 1.00 0.00 C ATOM 1007 O SER A 70 -6.618 -12.474 -5.244 1.00 0.00 O ATOM 1008 CB SER A 70 -8.976 -10.382 -5.824 1.00 0.00 C ATOM 1009 OG SER A 70 -9.009 -9.138 -5.147 1.00 0.00 O ATOM 0 H SER A 70 -9.288 -10.425 -3.135 1.00 0.00 H new ATOM 0 HA SER A 70 -9.175 -12.457 -5.286 1.00 0.00 H new ATOM 0 HB2 SER A 70 -8.162 -10.383 -6.549 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.902 -10.520 -6.383 1.00 0.00 H new ATOM 0 HG SER A 70 -9.893 -8.730 -5.256 1.00 0.00 H new ATOM 1015 N GLY A 71 -6.816 -11.048 -3.517 1.00 0.00 N ATOM 1016 CA GLY A 71 -5.414 -11.153 -3.161 1.00 0.00 C ATOM 1017 C GLY A 71 -4.558 -10.123 -3.873 1.00 0.00 C ATOM 1018 O GLY A 71 -3.385 -9.948 -3.545 1.00 0.00 O ATOM 0 H GLY A 71 -7.364 -10.425 -2.923 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.305 -11.030 -2.083 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.054 -12.152 -3.405 1.00 0.00 H new ATOM 1022 N THR A 72 -5.146 -9.436 -4.852 1.00 0.00 N ATOM 1023 CA THR A 72 -4.428 -8.420 -5.610 1.00 0.00 C ATOM 1024 C THR A 72 -4.859 -7.021 -5.182 1.00 0.00 C ATOM 1025 O THR A 72 -6.042 -6.765 -4.959 1.00 0.00 O ATOM 1026 CB THR A 72 -4.671 -8.607 -7.108 1.00 0.00 C ATOM 1027 OG1 THR A 72 -6.052 -8.513 -7.408 1.00 0.00 O ATOM 1028 CG2 THR A 72 -4.176 -9.937 -7.633 1.00 0.00 C ATOM 0 H THR A 72 -6.117 -9.567 -5.136 1.00 0.00 H new ATOM 0 HA THR A 72 -3.363 -8.531 -5.406 1.00 0.00 H new ATOM 0 HB THR A 72 -4.107 -7.811 -7.594 1.00 0.00 H new ATOM 0 HG1 THR A 72 -6.186 -8.634 -8.371 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.379 -10.005 -8.702 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.103 -10.019 -7.462 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.689 -10.747 -7.114 1.00 0.00 H new ATOM 1036 N ILE A 73 -3.890 -6.119 -5.067 1.00 0.00 N ATOM 1037 CA ILE A 73 -4.166 -4.746 -4.662 1.00 0.00 C ATOM 1038 C ILE A 73 -4.256 -3.821 -5.874 1.00 0.00 C ATOM 1039 O ILE A 73 -3.281 -3.634 -6.600 1.00 0.00 O ATOM 1040 CB ILE A 73 -3.080 -4.222 -3.703 1.00 0.00 C ATOM 1041 CG1 ILE A 73 -2.912 -5.176 -2.518 1.00 0.00 C ATOM 1042 CG2 ILE A 73 -3.428 -2.820 -3.216 1.00 0.00 C ATOM 1043 CD1 ILE A 73 -1.609 -4.988 -1.772 1.00 0.00 C ATOM 0 H ILE A 73 -2.906 -6.315 -5.249 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.126 -4.751 -4.146 1.00 0.00 H new ATOM 0 HB ILE A 73 -2.135 -4.172 -4.244 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.742 -5.033 -1.826 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -2.971 -6.203 -2.878 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.650 -2.466 -2.540 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.501 -2.146 -4.070 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.382 -2.844 -2.690 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.557 -5.697 -0.945 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.773 -5.160 -2.450 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.556 -3.971 -1.382 1.00 0.00 H new ATOM 1055 N ASP A 74 -5.436 -3.245 -6.081 1.00 0.00 N ATOM 1056 CA ASP A 74 -5.663 -2.339 -7.202 1.00 0.00 C ATOM 1057 C ASP A 74 -4.793 -1.090 -7.086 1.00 0.00 C ATOM 1058 O ASP A 74 -3.920 -1.006 -6.224 1.00 0.00 O ATOM 1059 CB ASP A 74 -7.140 -1.943 -7.271 1.00 0.00 C ATOM 1060 CG ASP A 74 -8.061 -3.148 -7.331 1.00 0.00 C ATOM 1061 OD1 ASP A 74 -7.588 -4.272 -7.069 1.00 0.00 O ATOM 1062 OD2 ASP A 74 -9.257 -2.964 -7.641 1.00 0.00 O ATOM 0 H ASP A 74 -6.252 -3.390 -5.486 1.00 0.00 H new ATOM 0 HA ASP A 74 -5.389 -2.862 -8.118 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -7.392 -1.339 -6.399 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.305 -1.319 -8.149 1.00 0.00 H new ATOM 1067 N PHE A 75 -5.040 -0.121 -7.964 1.00 0.00 N ATOM 1068 CA PHE A 75 -4.280 1.125 -7.968 1.00 0.00 C ATOM 1069 C PHE A 75 -4.466 1.886 -6.657 1.00 0.00 C ATOM 1070 O PHE A 75 -3.536 2.000 -5.858 1.00 0.00 O ATOM 1071 CB PHE A 75 -4.708 2.000 -9.148 1.00 0.00 C ATOM 1072 CG PHE A 75 -3.652 2.971 -9.592 1.00 0.00 C ATOM 1073 CD1 PHE A 75 -3.374 4.104 -8.841 1.00 0.00 C ATOM 1074 CD2 PHE A 75 -2.938 2.754 -10.759 1.00 0.00 C ATOM 1075 CE1 PHE A 75 -2.403 4.999 -9.247 1.00 0.00 C ATOM 1076 CE2 PHE A 75 -1.966 3.645 -11.170 1.00 0.00 C ATOM 1077 CZ PHE A 75 -1.698 4.770 -10.414 1.00 0.00 C ATOM 0 H PHE A 75 -5.762 -0.175 -8.683 1.00 0.00 H new ATOM 0 HA PHE A 75 -3.224 0.877 -8.071 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -4.975 1.358 -9.987 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -5.606 2.554 -8.872 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -3.923 4.288 -7.929 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.144 1.877 -11.355 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -2.195 5.877 -8.653 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -1.416 3.463 -12.081 1.00 0.00 H new ATOM 0 HZ PHE A 75 -0.939 5.469 -10.734 1.00 0.00 H new ATOM 1087 N GLU A 76 -5.672 2.405 -6.443 1.00 0.00 N ATOM 1088 CA GLU A 76 -5.977 3.155 -5.229 1.00 0.00 C ATOM 1089 C GLU A 76 -6.032 2.236 -4.014 1.00 0.00 C ATOM 1090 O GLU A 76 -5.820 2.675 -2.884 1.00 0.00 O ATOM 1091 CB GLU A 76 -7.311 3.888 -5.378 1.00 0.00 C ATOM 1092 CG GLU A 76 -7.299 4.966 -6.447 1.00 0.00 C ATOM 1093 CD GLU A 76 -7.453 4.404 -7.847 1.00 0.00 C ATOM 1094 OE1 GLU A 76 -8.400 3.620 -8.071 1.00 0.00 O ATOM 1095 OE2 GLU A 76 -6.627 4.748 -8.720 1.00 0.00 O ATOM 0 H GLU A 76 -6.453 2.320 -7.094 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.179 3.882 -5.078 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.090 3.163 -5.615 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.576 4.340 -4.422 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.106 5.673 -6.253 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -6.364 5.523 -6.385 1.00 0.00 H new ATOM 1102 N GLU A 77 -6.325 0.961 -4.252 1.00 0.00 N ATOM 1103 CA GLU A 77 -6.415 -0.017 -3.174 1.00 0.00 C ATOM 1104 C GLU A 77 -5.172 0.012 -2.288 1.00 0.00 C ATOM 1105 O GLU A 77 -5.233 -0.356 -1.118 1.00 0.00 O ATOM 1106 CB GLU A 77 -6.619 -1.422 -3.746 1.00 0.00 C ATOM 1107 CG GLU A 77 -8.074 -1.860 -3.759 1.00 0.00 C ATOM 1108 CD GLU A 77 -8.243 -3.317 -4.145 1.00 0.00 C ATOM 1109 OE1 GLU A 77 -7.322 -4.115 -3.873 1.00 0.00 O ATOM 1110 OE2 GLU A 77 -9.298 -3.661 -4.719 1.00 0.00 O ATOM 0 H GLU A 77 -6.504 0.581 -5.182 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.274 0.247 -2.558 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.228 -1.453 -4.763 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.038 -2.134 -3.159 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.507 -1.697 -2.772 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.631 -1.236 -4.458 1.00 0.00 H new ATOM 1117 N PHE A 78 -4.048 0.452 -2.851 1.00 0.00 N ATOM 1118 CA PHE A 78 -2.799 0.528 -2.099 1.00 0.00 C ATOM 1119 C PHE A 78 -2.880 1.590 -1.002 1.00 0.00 C ATOM 1120 O PHE A 78 -2.047 1.621 -0.096 1.00 0.00 O ATOM 1121 CB PHE A 78 -1.628 0.833 -3.035 1.00 0.00 C ATOM 1122 CG PHE A 78 -0.293 0.449 -2.464 1.00 0.00 C ATOM 1123 CD1 PHE A 78 -0.041 -0.856 -2.072 1.00 0.00 C ATOM 1124 CD2 PHE A 78 0.710 1.394 -2.317 1.00 0.00 C ATOM 1125 CE1 PHE A 78 1.186 -1.211 -1.544 1.00 0.00 C ATOM 1126 CE2 PHE A 78 1.937 1.045 -1.789 1.00 0.00 C ATOM 1127 CZ PHE A 78 2.176 -0.259 -1.402 1.00 0.00 C ATOM 0 H PHE A 78 -3.977 0.760 -3.821 1.00 0.00 H new ATOM 0 HA PHE A 78 -2.634 -0.441 -1.628 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.778 0.305 -3.977 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -1.624 1.899 -3.265 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.812 -1.604 -2.180 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.530 2.415 -2.619 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.370 -2.232 -1.243 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.710 1.791 -1.679 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.135 -0.534 -0.989 1.00 0.00 H new ATOM 1137 N LEU A 79 -3.892 2.450 -1.078 1.00 0.00 N ATOM 1138 CA LEU A 79 -4.080 3.493 -0.078 1.00 0.00 C ATOM 1139 C LEU A 79 -5.065 3.030 0.990 1.00 0.00 C ATOM 1140 O LEU A 79 -4.829 3.205 2.185 1.00 0.00 O ATOM 1141 CB LEU A 79 -4.586 4.781 -0.734 1.00 0.00 C ATOM 1142 CG LEU A 79 -3.604 5.443 -1.706 1.00 0.00 C ATOM 1143 CD1 LEU A 79 -4.122 5.357 -3.134 1.00 0.00 C ATOM 1144 CD2 LEU A 79 -3.356 6.893 -1.314 1.00 0.00 C ATOM 0 H LEU A 79 -4.592 2.444 -1.820 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.118 3.696 0.392 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.509 4.560 -1.269 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.835 5.496 0.050 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.657 4.906 -1.652 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.410 5.833 -3.809 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.244 4.311 -3.414 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.083 5.866 -3.204 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.656 7.345 -2.017 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.297 7.442 -1.336 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.937 6.931 -0.309 1.00 0.00 H new ATOM 1156 N VAL A 80 -6.167 2.430 0.548 1.00 0.00 N ATOM 1157 CA VAL A 80 -7.186 1.935 1.463 1.00 0.00 C ATOM 1158 C VAL A 80 -6.636 0.810 2.332 1.00 0.00 C ATOM 1159 O VAL A 80 -7.061 0.627 3.473 1.00 0.00 O ATOM 1160 CB VAL A 80 -8.435 1.435 0.706 1.00 0.00 C ATOM 1161 CG1 VAL A 80 -8.158 0.112 0.006 1.00 0.00 C ATOM 1162 CG2 VAL A 80 -9.617 1.309 1.654 1.00 0.00 C ATOM 0 H VAL A 80 -6.375 2.276 -0.439 1.00 0.00 H new ATOM 0 HA VAL A 80 -7.477 2.771 2.098 1.00 0.00 H new ATOM 0 HB VAL A 80 -8.685 2.170 -0.059 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.055 -0.217 -0.519 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.346 0.242 -0.709 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -7.875 -0.638 0.744 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -10.489 0.955 1.104 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -9.375 0.599 2.445 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -9.836 2.282 2.094 1.00 0.00 H new ATOM 1172 N MET A 81 -5.679 0.062 1.788 1.00 0.00 N ATOM 1173 CA MET A 81 -5.065 -1.042 2.516 1.00 0.00 C ATOM 1174 C MET A 81 -4.535 -0.558 3.858 1.00 0.00 C ATOM 1175 O MET A 81 -4.695 -1.222 4.882 1.00 0.00 O ATOM 1176 CB MET A 81 -3.923 -1.653 1.702 1.00 0.00 C ATOM 1177 CG MET A 81 -3.085 -0.636 0.955 1.00 0.00 C ATOM 1178 SD MET A 81 -1.361 -1.134 0.801 1.00 0.00 S ATOM 1179 CE MET A 81 -0.955 -1.413 2.518 1.00 0.00 C ATOM 0 H MET A 81 -5.313 0.201 0.846 1.00 0.00 H new ATOM 0 HA MET A 81 -5.825 -1.805 2.685 1.00 0.00 H new ATOM 0 HB2 MET A 81 -3.276 -2.220 2.372 1.00 0.00 H new ATOM 0 HB3 MET A 81 -4.340 -2.361 0.986 1.00 0.00 H new ATOM 0 HG2 MET A 81 -3.505 -0.485 -0.039 1.00 0.00 H new ATOM 0 HG3 MET A 81 -3.137 0.322 1.472 1.00 0.00 H new ATOM 0 HE1 MET A 81 0.098 -1.187 2.684 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.568 -0.767 3.146 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.147 -2.455 2.773 1.00 0.00 H new ATOM 1189 N MET A 82 -3.907 0.607 3.835 1.00 0.00 N ATOM 1190 CA MET A 82 -3.348 1.206 5.037 1.00 0.00 C ATOM 1191 C MET A 82 -4.438 1.890 5.856 1.00 0.00 C ATOM 1192 O MET A 82 -4.359 1.953 7.082 1.00 0.00 O ATOM 1193 CB MET A 82 -2.257 2.211 4.661 1.00 0.00 C ATOM 1194 CG MET A 82 -0.930 1.953 5.358 1.00 0.00 C ATOM 1195 SD MET A 82 0.319 3.193 4.963 1.00 0.00 S ATOM 1196 CE MET A 82 0.424 3.013 3.185 1.00 0.00 C ATOM 0 H MET A 82 -3.771 1.161 2.989 1.00 0.00 H new ATOM 0 HA MET A 82 -2.909 0.416 5.646 1.00 0.00 H new ATOM 0 HB2 MET A 82 -2.104 2.182 3.582 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.599 3.216 4.908 1.00 0.00 H new ATOM 0 HG2 MET A 82 -1.089 1.934 6.436 1.00 0.00 H new ATOM 0 HG3 MET A 82 -0.560 0.968 5.073 1.00 0.00 H new ATOM 0 HE1 MET A 82 1.452 2.787 2.902 1.00 0.00 H new ATOM 0 HE2 MET A 82 -0.228 2.201 2.862 1.00 0.00 H new ATOM 0 HE3 MET A 82 0.112 3.941 2.706 1.00 0.00 H new ATOM 1206 N VAL A 83 -5.457 2.398 5.169 1.00 0.00 N ATOM 1207 CA VAL A 83 -6.567 3.074 5.834 1.00 0.00 C ATOM 1208 C VAL A 83 -7.294 2.121 6.779 1.00 0.00 C ATOM 1209 O VAL A 83 -7.653 2.492 7.896 1.00 0.00 O ATOM 1210 CB VAL A 83 -7.574 3.641 4.809 1.00 0.00 C ATOM 1211 CG1 VAL A 83 -8.762 4.285 5.512 1.00 0.00 C ATOM 1212 CG2 VAL A 83 -6.894 4.642 3.887 1.00 0.00 C ATOM 0 H VAL A 83 -5.537 2.355 4.153 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.145 3.900 6.407 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.945 2.812 4.206 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -9.456 4.676 4.768 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -9.269 3.540 6.126 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -8.412 5.100 6.146 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.620 5.030 3.172 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -6.491 5.465 4.477 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.083 4.150 3.350 1.00 0.00 H new ATOM 1222 N ARG A 84 -7.508 0.892 6.322 1.00 0.00 N ATOM 1223 CA ARG A 84 -8.195 -0.117 7.122 1.00 0.00 C ATOM 1224 C ARG A 84 -7.391 -0.482 8.369 1.00 0.00 C ATOM 1225 O ARG A 84 -7.928 -1.062 9.313 1.00 0.00 O ATOM 1226 CB ARG A 84 -8.453 -1.370 6.285 1.00 0.00 C ATOM 1227 CG ARG A 84 -9.349 -1.123 5.080 1.00 0.00 C ATOM 1228 CD ARG A 84 -10.330 -2.266 4.867 1.00 0.00 C ATOM 1229 NE ARG A 84 -11.705 -1.787 4.733 1.00 0.00 N ATOM 1230 CZ ARG A 84 -12.466 -1.424 5.764 1.00 0.00 C ATOM 1231 NH1 ARG A 84 -11.992 -1.485 7.002 1.00 0.00 N ATOM 1232 NH2 ARG A 84 -13.704 -0.999 5.555 1.00 0.00 N ATOM 0 H ARG A 84 -7.215 0.569 5.400 1.00 0.00 H new ATOM 0 HA ARG A 84 -9.147 0.305 7.443 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -7.499 -1.771 5.942 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -8.910 -2.132 6.917 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -9.899 -0.192 5.220 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -8.734 -0.999 4.188 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -10.051 -2.822 3.972 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -10.267 -2.959 5.706 1.00 0.00 H new ATOM 0 HE ARG A 84 -12.104 -1.727 3.796 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -11.040 -1.811 7.168 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -12.580 -1.206 7.787 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -14.073 -0.950 4.605 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -14.288 -0.721 6.344 1.00 0.00 H new ATOM 1246 N GLN A 85 -6.105 -0.142 8.370 1.00 0.00 N ATOM 1247 CA GLN A 85 -5.239 -0.439 9.507 1.00 0.00 C ATOM 1248 C GLN A 85 -4.883 0.833 10.269 1.00 0.00 C ATOM 1249 O GLN A 85 -4.551 0.787 11.453 1.00 0.00 O ATOM 1250 CB GLN A 85 -3.959 -1.137 9.038 1.00 0.00 C ATOM 1251 CG GLN A 85 -4.185 -2.152 7.928 1.00 0.00 C ATOM 1252 CD GLN A 85 -5.268 -3.156 8.268 1.00 0.00 C ATOM 1253 OE1 GLN A 85 -6.271 -3.267 7.564 1.00 0.00 O ATOM 1254 NE2 GLN A 85 -5.071 -3.896 9.354 1.00 0.00 N ATOM 0 H GLN A 85 -5.641 0.338 7.599 1.00 0.00 H new ATOM 0 HA GLN A 85 -5.784 -1.105 10.177 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -3.252 -0.384 8.690 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -3.498 -1.639 9.888 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -4.455 -1.628 7.011 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -3.253 -2.682 7.730 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -4.225 -3.771 9.909 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -5.766 -4.589 9.632 1.00 0.00 H new ATOM 1263 N MET A 86 -4.952 1.968 9.582 1.00 0.00 N ATOM 1264 CA MET A 86 -4.634 3.252 10.192 1.00 0.00 C ATOM 1265 C MET A 86 -5.756 3.705 11.121 1.00 0.00 C ATOM 1266 O MET A 86 -5.502 4.243 12.199 1.00 0.00 O ATOM 1267 CB MET A 86 -4.391 4.302 9.108 1.00 0.00 C ATOM 1268 CG MET A 86 -2.938 4.397 8.673 1.00 0.00 C ATOM 1269 SD MET A 86 -2.583 5.910 7.758 1.00 0.00 S ATOM 1270 CE MET A 86 -2.118 5.240 6.162 1.00 0.00 C ATOM 0 H MET A 86 -5.226 2.024 8.601 1.00 0.00 H new ATOM 0 HA MET A 86 -3.727 3.135 10.784 1.00 0.00 H new ATOM 0 HB2 MET A 86 -5.007 4.067 8.240 1.00 0.00 H new ATOM 0 HB3 MET A 86 -4.717 5.275 9.476 1.00 0.00 H new ATOM 0 HG2 MET A 86 -2.296 4.350 9.553 1.00 0.00 H new ATOM 0 HG3 MET A 86 -2.692 3.536 8.052 1.00 0.00 H new ATOM 0 HE1 MET A 86 -1.636 6.017 5.568 1.00 0.00 H new ATOM 0 HE2 MET A 86 -1.426 4.410 6.304 1.00 0.00 H new ATOM 0 HE3 MET A 86 -3.008 4.886 5.643 1.00 0.00 H new ATOM 1280 N LYS A 87 -6.996 3.482 10.698 1.00 0.00 N ATOM 1281 CA LYS A 87 -8.154 3.865 11.496 1.00 0.00 C ATOM 1282 C LYS A 87 -8.278 2.981 12.732 1.00 0.00 C ATOM 1283 O LYS A 87 -8.411 3.477 13.851 1.00 0.00 O ATOM 1284 CB LYS A 87 -9.429 3.772 10.657 1.00 0.00 C ATOM 1285 CG LYS A 87 -9.720 5.027 9.850 1.00 0.00 C ATOM 1286 CD LYS A 87 -9.991 4.703 8.389 1.00 0.00 C ATOM 1287 CE LYS A 87 -11.468 4.436 8.144 1.00 0.00 C ATOM 1288 NZ LYS A 87 -11.755 4.183 6.705 1.00 0.00 N ATOM 0 H LYS A 87 -7.224 3.039 9.808 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.016 4.896 11.822 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.345 2.924 9.977 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -10.273 3.570 11.316 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -10.582 5.542 10.275 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -8.874 5.710 9.921 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -9.661 5.533 7.764 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -9.408 3.830 8.094 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -11.784 3.576 8.734 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -12.053 5.290 8.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.783 4.191 6.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -11.312 4.925 6.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -11.371 3.256 6.432 1.00 0.00 H new ATOM 1302 N GLU A 88 -8.232 1.669 12.521 1.00 0.00 N ATOM 1303 CA GLU A 88 -8.338 0.713 13.621 1.00 0.00 C ATOM 1304 C GLU A 88 -9.649 0.899 14.379 1.00 0.00 C ATOM 1305 O GLU A 88 -9.726 1.685 15.323 1.00 0.00 O ATOM 1306 CB GLU A 88 -7.155 0.871 14.577 1.00 0.00 C ATOM 1307 CG GLU A 88 -6.635 -0.449 15.125 1.00 0.00 C ATOM 1308 CD GLU A 88 -6.584 -0.474 16.640 1.00 0.00 C ATOM 1309 OE1 GLU A 88 -6.397 0.602 17.246 1.00 0.00 O ATOM 1310 OE2 GLU A 88 -6.729 -1.570 17.221 1.00 0.00 O ATOM 0 H GLU A 88 -8.122 1.243 11.601 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.323 -0.292 13.199 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -6.345 1.384 14.058 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -7.454 1.508 15.409 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -7.273 -1.260 14.774 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -5.637 -0.634 14.729 1.00 0.00 H new ATOM 1317 N ASP A 89 -10.678 0.170 13.959 1.00 0.00 N ATOM 1318 CA ASP A 89 -11.985 0.255 14.599 1.00 0.00 C ATOM 1319 C ASP A 89 -12.143 -0.829 15.660 1.00 0.00 C ATOM 1320 O ASP A 89 -12.828 -0.635 16.663 1.00 0.00 O ATOM 1321 CB ASP A 89 -13.096 0.129 13.555 1.00 0.00 C ATOM 1322 CG ASP A 89 -14.357 0.867 13.960 1.00 0.00 C ATOM 1323 OD1 ASP A 89 -14.241 1.984 14.507 1.00 0.00 O ATOM 1324 OD2 ASP A 89 -15.460 0.328 13.732 1.00 0.00 O ATOM 0 H ASP A 89 -10.632 -0.486 13.179 1.00 0.00 H new ATOM 0 HA ASP A 89 -12.061 1.228 15.085 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -12.740 0.519 12.601 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -13.329 -0.925 13.401 1.00 0.00 H new ATOM 1329 N ALA A 90 -11.505 -1.973 15.430 1.00 0.00 N ATOM 1330 CA ALA A 90 -11.574 -3.087 16.368 1.00 0.00 C ATOM 1331 C ALA A 90 -13.013 -3.554 16.559 1.00 0.00 C ATOM 1332 O ALA A 90 -13.218 -4.561 17.270 1.00 0.00 O ATOM 1333 CB ALA A 90 -10.962 -2.693 17.703 1.00 0.00 C ATOM 1334 OXT ALA A 90 -13.924 -2.908 15.999 1.00 0.00 O ATOM 0 H ALA A 90 -10.935 -2.152 14.603 1.00 0.00 H new ATOM 0 HA ALA A 90 -11.003 -3.917 15.952 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -11.021 -3.535 18.393 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -9.918 -2.416 17.557 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.508 -1.845 18.117 1.00 0.00 H new TER 1340 ALA A 90 ATOM 1341 N ARG B 115 1.713 -2.536 9.719 1.00 0.00 N ATOM 1342 CA ARG B 115 0.505 -1.860 9.178 1.00 0.00 C ATOM 1343 C ARG B 115 0.320 -0.480 9.803 1.00 0.00 C ATOM 1344 O ARG B 115 1.062 -0.095 10.706 1.00 0.00 O ATOM 1345 CB ARG B 115 -0.714 -2.738 9.465 1.00 0.00 C ATOM 1346 CG ARG B 115 -0.800 -3.207 10.909 1.00 0.00 C ATOM 1347 CD ARG B 115 -0.220 -4.603 11.079 1.00 0.00 C ATOM 1348 NE ARG B 115 -1.137 -5.493 11.786 1.00 0.00 N ATOM 1349 CZ ARG B 115 -1.047 -6.822 11.764 1.00 0.00 C ATOM 1350 NH1 ARG B 115 -0.083 -7.416 11.072 1.00 0.00 N ATOM 1351 NH2 ARG B 115 -1.922 -7.557 12.435 1.00 0.00 N ATOM 0 HA ARG B 115 0.623 -1.721 8.103 1.00 0.00 H new ATOM 0 HB2 ARG B 115 -1.618 -2.182 9.218 1.00 0.00 H new ATOM 0 HB3 ARG B 115 -0.686 -3.609 8.810 1.00 0.00 H new ATOM 0 HG2 ARG B 115 -0.264 -2.509 11.552 1.00 0.00 H new ATOM 0 HG3 ARG B 115 -1.841 -3.203 11.232 1.00 0.00 H new ATOM 0 HD2 ARG B 115 0.009 -5.022 10.099 1.00 0.00 H new ATOM 0 HD3 ARG B 115 0.720 -4.541 11.627 1.00 0.00 H new ATOM 0 HE ARG B 115 -1.891 -5.072 12.329 1.00 0.00 H new ATOM 0 HH11 ARG B 115 0.593 -6.855 10.554 1.00 0.00 H new ATOM 0 HH12 ARG B 115 -0.018 -8.434 11.058 1.00 0.00 H new ATOM 0 HH21 ARG B 115 -2.665 -7.105 12.969 1.00 0.00 H new ATOM 0 HH22 ARG B 115 -1.853 -8.575 12.418 1.00 0.00 H new ATOM 1367 N MET B 116 -0.675 0.258 9.313 1.00 0.00 N ATOM 1368 CA MET B 116 -0.964 1.599 9.816 1.00 0.00 C ATOM 1369 C MET B 116 0.181 2.558 9.508 1.00 0.00 C ATOM 1370 O MET B 116 0.046 3.455 8.676 1.00 0.00 O ATOM 1371 CB MET B 116 -1.226 1.567 11.325 1.00 0.00 C ATOM 1372 CG MET B 116 -1.450 2.946 11.932 1.00 0.00 C ATOM 1373 SD MET B 116 -0.341 3.290 13.312 1.00 0.00 S ATOM 1374 CE MET B 116 -1.491 3.961 14.511 1.00 0.00 C ATOM 0 H MET B 116 -1.296 -0.052 8.566 1.00 0.00 H new ATOM 0 HA MET B 116 -1.861 1.956 9.310 1.00 0.00 H new ATOM 0 HB2 MET B 116 -2.100 0.946 11.521 1.00 0.00 H new ATOM 0 HB3 MET B 116 -0.380 1.093 11.823 1.00 0.00 H new ATOM 0 HG2 MET B 116 -1.310 3.704 11.162 1.00 0.00 H new ATOM 0 HG3 MET B 116 -2.482 3.025 12.273 1.00 0.00 H new ATOM 0 HE1 MET B 116 -0.954 4.223 15.423 1.00 0.00 H new ATOM 0 HE2 MET B 116 -1.966 4.852 14.101 1.00 0.00 H new ATOM 0 HE3 MET B 116 -2.254 3.217 14.740 1.00 0.00 H new ATOM 1384 N SER B 117 1.308 2.366 10.187 1.00 0.00 N ATOM 1385 CA SER B 117 2.474 3.217 9.986 1.00 0.00 C ATOM 1386 C SER B 117 3.387 2.651 8.901 1.00 0.00 C ATOM 1387 O SER B 117 4.611 2.706 9.016 1.00 0.00 O ATOM 1388 CB SER B 117 3.250 3.371 11.294 1.00 0.00 C ATOM 1389 OG SER B 117 4.091 2.254 11.524 1.00 0.00 O ATOM 0 H SER B 117 1.438 1.629 10.880 1.00 0.00 H new ATOM 0 HA SER B 117 2.123 4.197 9.661 1.00 0.00 H new ATOM 0 HB2 SER B 117 3.850 4.280 11.259 1.00 0.00 H new ATOM 0 HB3 SER B 117 2.552 3.481 12.124 1.00 0.00 H new ATOM 0 HG SER B 117 4.796 2.230 10.844 1.00 0.00 H new ATOM 1395 N ALA B 118 2.784 2.118 7.842 1.00 0.00 N ATOM 1396 CA ALA B 118 3.543 1.555 6.734 1.00 0.00 C ATOM 1397 C ALA B 118 4.255 2.651 5.945 1.00 0.00 C ATOM 1398 O ALA B 118 5.102 2.366 5.099 1.00 0.00 O ATOM 1399 CB ALA B 118 2.624 0.757 5.821 1.00 0.00 C ATOM 0 H ALA B 118 1.772 2.065 7.730 1.00 0.00 H new ATOM 0 HA ALA B 118 4.301 0.888 7.144 1.00 0.00 H new ATOM 0 HB1 ALA B 118 3.202 0.341 4.996 1.00 0.00 H new ATOM 0 HB2 ALA B 118 2.163 -0.053 6.386 1.00 0.00 H new ATOM 0 HB3 ALA B 118 1.847 1.411 5.425 1.00 0.00 H new ATOM 1405 N ASP B 119 3.903 3.907 6.229 1.00 0.00 N ATOM 1406 CA ASP B 119 4.501 5.053 5.551 1.00 0.00 C ATOM 1407 C ASP B 119 6.013 4.898 5.409 1.00 0.00 C ATOM 1408 O ASP B 119 6.610 5.420 4.470 1.00 0.00 O ATOM 1409 CB ASP B 119 4.179 6.340 6.311 1.00 0.00 C ATOM 1410 CG ASP B 119 4.678 7.577 5.589 1.00 0.00 C ATOM 1411 OD1 ASP B 119 4.865 7.510 4.356 1.00 0.00 O ATOM 1412 OD2 ASP B 119 4.880 8.612 6.258 1.00 0.00 O ATOM 0 H ASP B 119 3.203 4.154 6.928 1.00 0.00 H new ATOM 0 HA ASP B 119 4.074 5.105 4.549 1.00 0.00 H new ATOM 0 HB2 ASP B 119 3.101 6.415 6.453 1.00 0.00 H new ATOM 0 HB3 ASP B 119 4.628 6.295 7.303 1.00 0.00 H new ATOM 1417 N ALA B 120 6.630 4.175 6.342 1.00 0.00 N ATOM 1418 CA ALA B 120 8.072 3.956 6.305 1.00 0.00 C ATOM 1419 C ALA B 120 8.510 3.464 4.930 1.00 0.00 C ATOM 1420 O ALA B 120 9.292 4.125 4.245 1.00 0.00 O ATOM 1421 CB ALA B 120 8.486 2.965 7.382 1.00 0.00 C ATOM 0 H ALA B 120 6.155 3.733 7.129 1.00 0.00 H new ATOM 0 HA ALA B 120 8.567 4.907 6.499 1.00 0.00 H new ATOM 0 HB1 ALA B 120 9.565 2.813 7.341 1.00 0.00 H new ATOM 0 HB2 ALA B 120 8.212 3.357 8.362 1.00 0.00 H new ATOM 0 HB3 ALA B 120 7.979 2.015 7.216 1.00 0.00 H new ATOM 1427 N MET B 121 7.991 2.310 4.522 1.00 0.00 N ATOM 1428 CA MET B 121 8.320 1.749 3.219 1.00 0.00 C ATOM 1429 C MET B 121 7.915 2.722 2.118 1.00 0.00 C ATOM 1430 O MET B 121 8.572 2.816 1.082 1.00 0.00 O ATOM 1431 CB MET B 121 7.615 0.405 3.020 1.00 0.00 C ATOM 1432 CG MET B 121 7.826 -0.202 1.640 1.00 0.00 C ATOM 1433 SD MET B 121 6.371 -1.077 1.037 1.00 0.00 S ATOM 1434 CE MET B 121 5.132 0.210 1.160 1.00 0.00 C ATOM 0 H MET B 121 7.343 1.748 5.074 1.00 0.00 H new ATOM 0 HA MET B 121 9.396 1.584 3.171 1.00 0.00 H new ATOM 0 HB2 MET B 121 7.972 -0.297 3.774 1.00 0.00 H new ATOM 0 HB3 MET B 121 6.546 0.538 3.189 1.00 0.00 H new ATOM 0 HG2 MET B 121 8.088 0.588 0.936 1.00 0.00 H new ATOM 0 HG3 MET B 121 8.670 -0.890 1.675 1.00 0.00 H new ATOM 0 HE1 MET B 121 4.312 -0.008 0.476 1.00 0.00 H new ATOM 0 HE2 MET B 121 4.752 0.253 2.181 1.00 0.00 H new ATOM 0 HE3 MET B 121 5.577 1.170 0.898 1.00 0.00 H new ATOM 1444 N LEU B 122 6.831 3.451 2.363 1.00 0.00 N ATOM 1445 CA LEU B 122 6.337 4.430 1.406 1.00 0.00 C ATOM 1446 C LEU B 122 7.336 5.574 1.271 1.00 0.00 C ATOM 1447 O LEU B 122 7.552 6.099 0.181 1.00 0.00 O ATOM 1448 CB LEU B 122 4.969 4.963 1.849 1.00 0.00 C ATOM 1449 CG LEU B 122 3.781 4.018 1.621 1.00 0.00 C ATOM 1450 CD1 LEU B 122 3.882 2.785 2.510 1.00 0.00 C ATOM 1451 CD2 LEU B 122 2.468 4.747 1.875 1.00 0.00 C ATOM 0 H LEU B 122 6.279 3.381 3.218 1.00 0.00 H new ATOM 0 HA LEU B 122 6.221 3.949 0.435 1.00 0.00 H new ATOM 0 HB2 LEU B 122 5.020 5.203 2.911 1.00 0.00 H new ATOM 0 HB3 LEU B 122 4.774 5.896 1.320 1.00 0.00 H new ATOM 0 HG LEU B 122 3.806 3.689 0.582 1.00 0.00 H new ATOM 0 HD11 LEU B 122 3.027 2.134 2.327 1.00 0.00 H new ATOM 0 HD12 LEU B 122 4.803 2.248 2.284 1.00 0.00 H new ATOM 0 HD13 LEU B 122 3.888 3.090 3.556 1.00 0.00 H new ATOM 0 HD21 LEU B 122 1.635 4.064 1.709 1.00 0.00 H new ATOM 0 HD22 LEU B 122 2.444 5.106 2.904 1.00 0.00 H new ATOM 0 HD23 LEU B 122 2.384 5.594 1.194 1.00 0.00 H new ATOM 1463 N ARG B 123 7.957 5.942 2.388 1.00 0.00 N ATOM 1464 CA ARG B 123 8.951 7.008 2.396 1.00 0.00 C ATOM 1465 C ARG B 123 10.351 6.441 2.152 1.00 0.00 C ATOM 1466 O ARG B 123 11.353 7.131 2.341 1.00 0.00 O ATOM 1467 CB ARG B 123 8.914 7.757 3.731 1.00 0.00 C ATOM 1468 CG ARG B 123 9.901 8.910 3.811 1.00 0.00 C ATOM 1469 CD ARG B 123 9.474 9.939 4.847 1.00 0.00 C ATOM 1470 NE ARG B 123 10.615 10.482 5.582 1.00 0.00 N ATOM 1471 CZ ARG B 123 11.284 9.809 6.516 1.00 0.00 C ATOM 1472 NH1 ARG B 123 10.930 8.569 6.831 1.00 0.00 N ATOM 1473 NH2 ARG B 123 12.309 10.377 7.136 1.00 0.00 N ATOM 0 H ARG B 123 7.788 5.517 3.300 1.00 0.00 H new ATOM 0 HA ARG B 123 8.713 7.705 1.592 1.00 0.00 H new ATOM 0 HB2 ARG B 123 7.907 8.140 3.895 1.00 0.00 H new ATOM 0 HB3 ARG B 123 9.123 7.055 4.538 1.00 0.00 H new ATOM 0 HG2 ARG B 123 10.890 8.527 4.063 1.00 0.00 H new ATOM 0 HG3 ARG B 123 9.984 9.388 2.835 1.00 0.00 H new ATOM 0 HD2 ARG B 123 8.941 10.751 4.353 1.00 0.00 H new ATOM 0 HD3 ARG B 123 8.776 9.480 5.548 1.00 0.00 H new ATOM 0 HE ARG B 123 10.916 11.432 5.367 1.00 0.00 H new ATOM 0 HH11 ARG B 123 10.142 8.127 6.357 1.00 0.00 H new ATOM 0 HH12 ARG B 123 11.446 8.058 7.547 1.00 0.00 H new ATOM 0 HH21 ARG B 123 12.585 11.330 6.898 1.00 0.00 H new ATOM 0 HH22 ARG B 123 12.822 9.861 7.852 1.00 0.00 H new ATOM 1487 N ALA B 124 10.411 5.175 1.741 1.00 0.00 N ATOM 1488 CA ALA B 124 11.679 4.507 1.481 1.00 0.00 C ATOM 1489 C ALA B 124 12.259 4.900 0.129 1.00 0.00 C ATOM 1490 O ALA B 124 13.296 5.559 0.051 1.00 0.00 O ATOM 1491 CB ALA B 124 11.491 2.998 1.542 1.00 0.00 C ATOM 0 H ALA B 124 9.590 4.591 1.581 1.00 0.00 H new ATOM 0 HA ALA B 124 12.384 4.823 2.250 1.00 0.00 H new ATOM 0 HB1 ALA B 124 12.443 2.505 1.347 1.00 0.00 H new ATOM 0 HB2 ALA B 124 11.132 2.716 2.532 1.00 0.00 H new ATOM 0 HB3 ALA B 124 10.763 2.691 0.791 1.00 0.00 H new ATOM 1497 N LEU B 125 11.591 4.469 -0.933 1.00 0.00 N ATOM 1498 CA LEU B 125 12.042 4.748 -2.290 1.00 0.00 C ATOM 1499 C LEU B 125 11.725 6.182 -2.709 1.00 0.00 C ATOM 1500 O LEU B 125 12.347 6.715 -3.628 1.00 0.00 O ATOM 1501 CB LEU B 125 11.408 3.748 -3.255 1.00 0.00 C ATOM 1502 CG LEU B 125 11.610 2.284 -2.868 1.00 0.00 C ATOM 1503 CD1 LEU B 125 10.528 1.415 -3.482 1.00 0.00 C ATOM 1504 CD2 LEU B 125 12.991 1.805 -3.289 1.00 0.00 C ATOM 0 H LEU B 125 10.731 3.923 -0.880 1.00 0.00 H new ATOM 0 HA LEU B 125 13.126 4.640 -2.319 1.00 0.00 H new ATOM 0 HB2 LEU B 125 10.339 3.950 -3.318 1.00 0.00 H new ATOM 0 HB3 LEU B 125 11.822 3.909 -4.250 1.00 0.00 H new ATOM 0 HG LEU B 125 11.537 2.202 -1.784 1.00 0.00 H new ATOM 0 HD11 LEU B 125 10.689 0.376 -3.195 1.00 0.00 H new ATOM 0 HD12 LEU B 125 9.552 1.743 -3.125 1.00 0.00 H new ATOM 0 HD13 LEU B 125 10.565 1.501 -4.568 1.00 0.00 H new ATOM 0 HD21 LEU B 125 13.116 0.760 -3.005 1.00 0.00 H new ATOM 0 HD22 LEU B 125 13.096 1.902 -4.370 1.00 0.00 H new ATOM 0 HD23 LEU B 125 13.752 2.409 -2.795 1.00 0.00 H new ATOM 1516 N LEU B 126 10.768 6.811 -2.030 1.00 0.00 N ATOM 1517 CA LEU B 126 10.402 8.183 -2.343 1.00 0.00 C ATOM 1518 C LEU B 126 9.975 8.938 -1.090 1.00 0.00 C ATOM 1519 O LEU B 126 9.006 8.566 -0.427 1.00 0.00 O ATOM 1520 CB LEU B 126 9.282 8.219 -3.385 1.00 0.00 C ATOM 1521 CG LEU B 126 9.749 8.140 -4.839 1.00 0.00 C ATOM 1522 CD1 LEU B 126 8.557 8.050 -5.780 1.00 0.00 C ATOM 1523 CD2 LEU B 126 10.615 9.343 -5.186 1.00 0.00 C ATOM 0 H LEU B 126 10.238 6.393 -1.266 1.00 0.00 H new ATOM 0 HA LEU B 126 11.283 8.675 -2.756 1.00 0.00 H new ATOM 0 HB2 LEU B 126 8.600 7.390 -3.193 1.00 0.00 H new ATOM 0 HB3 LEU B 126 8.712 9.138 -3.252 1.00 0.00 H new ATOM 0 HG LEU B 126 10.349 7.238 -4.959 1.00 0.00 H new ATOM 0 HD11 LEU B 126 8.910 7.995 -6.810 1.00 0.00 H new ATOM 0 HD12 LEU B 126 7.976 7.158 -5.547 1.00 0.00 H new ATOM 0 HD13 LEU B 126 7.930 8.933 -5.658 1.00 0.00 H new ATOM 0 HD21 LEU B 126 10.939 9.271 -6.224 1.00 0.00 H new ATOM 0 HD22 LEU B 126 10.039 10.258 -5.048 1.00 0.00 H new ATOM 0 HD23 LEU B 126 11.488 9.363 -4.534 1.00 0.00 H new ATOM 1535 N GLY B 127 10.706 10.002 -0.773 1.00 0.00 N ATOM 1536 CA GLY B 127 10.392 10.797 0.400 1.00 0.00 C ATOM 1537 C GLY B 127 10.996 12.187 0.338 1.00 0.00 C ATOM 1538 O GLY B 127 11.494 12.699 1.341 1.00 0.00 O ATOM 0 H GLY B 127 11.511 10.328 -1.308 1.00 0.00 H new ATOM 0 HA2 GLY B 127 9.310 10.879 0.501 1.00 0.00 H new ATOM 0 HA3 GLY B 127 10.757 10.285 1.290 1.00 0.00 H new ATOM 1542 N SER B 128 10.953 12.797 -0.841 1.00 0.00 N ATOM 1543 CA SER B 128 11.500 14.136 -1.030 1.00 0.00 C ATOM 1544 C SER B 128 10.383 15.158 -1.227 1.00 0.00 C ATOM 1545 O SER B 128 9.248 14.799 -1.536 1.00 0.00 O ATOM 1546 CB SER B 128 12.445 14.159 -2.233 1.00 0.00 C ATOM 1547 OG SER B 128 11.815 13.629 -3.387 1.00 0.00 O ATOM 0 H SER B 128 10.545 12.386 -1.681 1.00 0.00 H new ATOM 0 HA SER B 128 12.058 14.403 -0.133 1.00 0.00 H new ATOM 0 HB2 SER B 128 12.766 15.182 -2.428 1.00 0.00 H new ATOM 0 HB3 SER B 128 13.341 13.581 -2.006 1.00 0.00 H new ATOM 0 HG SER B 128 12.439 13.656 -4.142 1.00 0.00 H new ATOM 1553 N LYS B 129 10.716 16.431 -1.045 1.00 0.00 N ATOM 1554 CA LYS B 129 9.742 17.505 -1.202 1.00 0.00 C ATOM 1555 C LYS B 129 10.374 18.718 -1.876 1.00 0.00 C ATOM 1556 O LYS B 129 11.375 19.255 -1.399 1.00 0.00 O ATOM 1557 CB LYS B 129 9.166 17.900 0.161 1.00 0.00 C ATOM 1558 CG LYS B 129 7.648 17.832 0.222 1.00 0.00 C ATOM 1559 CD LYS B 129 7.168 17.253 1.544 1.00 0.00 C ATOM 1560 CE LYS B 129 7.087 18.322 2.622 1.00 0.00 C ATOM 1561 NZ LYS B 129 5.789 19.049 2.589 1.00 0.00 N ATOM 0 H LYS B 129 11.652 16.744 -0.789 1.00 0.00 H new ATOM 0 HA LYS B 129 8.934 17.142 -1.838 1.00 0.00 H new ATOM 0 HB2 LYS B 129 9.582 17.244 0.926 1.00 0.00 H new ATOM 0 HB3 LYS B 129 9.486 18.914 0.402 1.00 0.00 H new ATOM 0 HG2 LYS B 129 7.232 18.831 0.089 1.00 0.00 H new ATOM 0 HG3 LYS B 129 7.277 17.220 -0.600 1.00 0.00 H new ATOM 0 HD2 LYS B 129 6.188 16.796 1.408 1.00 0.00 H new ATOM 0 HD3 LYS B 129 7.846 16.462 1.864 1.00 0.00 H new ATOM 0 HE2 LYS B 129 7.220 17.861 3.601 1.00 0.00 H new ATOM 0 HE3 LYS B 129 7.904 19.032 2.491 1.00 0.00 H new ATOM 0 HZ1 LYS B 129 5.775 19.769 3.340 1.00 0.00 H new ATOM 0 HZ2 LYS B 129 5.673 19.511 1.664 1.00 0.00 H new ATOM 0 HZ3 LYS B 129 5.010 18.376 2.740 1.00 0.00 H new ATOM 1575 N HIS B 130 9.786 19.145 -2.988 1.00 0.00 N ATOM 1576 CA HIS B 130 10.293 20.295 -3.729 1.00 0.00 C ATOM 1577 C HIS B 130 10.119 21.579 -2.925 1.00 0.00 C ATOM 1578 O HIS B 130 11.083 22.117 -2.381 1.00 0.00 O ATOM 1579 CB HIS B 130 9.574 20.415 -5.076 1.00 0.00 C ATOM 1580 CG HIS B 130 10.503 20.419 -6.250 1.00 0.00 C ATOM 1581 ND1 HIS B 130 11.816 20.832 -6.171 1.00 0.00 N ATOM 1582 CD2 HIS B 130 10.302 20.056 -7.539 1.00 0.00 C ATOM 1583 CE1 HIS B 130 12.382 20.725 -7.360 1.00 0.00 C ATOM 1584 NE2 HIS B 130 11.486 20.255 -8.207 1.00 0.00 N ATOM 0 H HIS B 130 8.958 18.712 -3.397 1.00 0.00 H new ATOM 0 HA HIS B 130 11.358 20.144 -3.907 1.00 0.00 H new ATOM 0 HB2 HIS B 130 8.873 19.587 -5.180 1.00 0.00 H new ATOM 0 HB3 HIS B 130 8.986 21.333 -5.085 1.00 0.00 H new ATOM 0 HD2 HIS B 130 9.383 19.680 -7.963 1.00 0.00 H new ATOM 0 HE1 HIS B 130 13.404 20.979 -7.598 1.00 0.00 H new ATOM 0 HE2 HIS B 130 11.646 20.070 -9.197 1.00 0.00 H new ATOM 1593 N LYS B 131 8.884 22.064 -2.852 1.00 0.00 N ATOM 1594 CA LYS B 131 8.584 23.285 -2.112 1.00 0.00 C ATOM 1595 C LYS B 131 8.227 22.969 -0.663 1.00 0.00 C ATOM 1596 O LYS B 131 8.310 21.784 -0.279 1.00 0.00 O ATOM 1597 CB LYS B 131 7.435 24.042 -2.783 1.00 0.00 C ATOM 1598 CG LYS B 131 7.896 25.204 -3.648 1.00 0.00 C ATOM 1599 CD LYS B 131 8.404 24.724 -4.999 1.00 0.00 C ATOM 1600 CE LYS B 131 7.256 24.377 -5.934 1.00 0.00 C ATOM 1601 NZ LYS B 131 7.678 23.429 -7.003 1.00 0.00 N ATOM 1602 OXT LYS B 131 7.867 23.910 0.075 1.00 0.00 O ATOM 0 H LYS B 131 8.075 21.630 -3.296 1.00 0.00 H new ATOM 0 HA LYS B 131 9.475 23.913 -2.117 1.00 0.00 H new ATOM 0 HB2 LYS B 131 6.863 23.347 -3.397 1.00 0.00 H new ATOM 0 HB3 LYS B 131 6.760 24.418 -2.014 1.00 0.00 H new ATOM 0 HG2 LYS B 131 7.070 25.900 -3.795 1.00 0.00 H new ATOM 0 HG3 LYS B 131 8.686 25.751 -3.134 1.00 0.00 H new ATOM 0 HD2 LYS B 131 9.023 25.498 -5.452 1.00 0.00 H new ATOM 0 HD3 LYS B 131 9.039 23.849 -4.860 1.00 0.00 H new ATOM 0 HE2 LYS B 131 6.440 23.937 -5.360 1.00 0.00 H new ATOM 0 HE3 LYS B 131 6.870 25.289 -6.389 1.00 0.00 H new ATOM 0 HZ1 LYS B 131 6.886 23.270 -7.659 1.00 0.00 H new ATOM 0 HZ2 LYS B 131 8.484 23.830 -7.524 1.00 0.00 H new ATOM 0 HZ3 LYS B 131 7.959 22.524 -6.574 1.00 0.00 H new TER 1616 LYS B 131 HETATM 1617 CA CA A 132 -8.793 -6.412 -4.519 1.00 0.00 CA HETATM 1618 CA CA A 133 1.915 -6.025 -10.049 1.00 0.00 CA