USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 782 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 70 THR OG1 : rot 180:sc= 0.0235 USER MOD Set 1.2: A 73 SER OG : rot 101:sc= 0.0233 USER MOD Set 2.1: A 30 CYS SG : rot -168:sc= 0.168 USER MOD Set 2.2: A 93 CYS SG : rot -120:sc= -1.87 USER MOD Set 3.1: A 25 ASN :FLIP amide:sc= -0.352 F(o=-1.1,f=-0.35) USER MOD Set 3.2: A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.138 X(o=-0.14,f=-0.32) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -164:sc=-0.00688 (180deg=-0.0924) USER MOD Single : A 11 GLN : amide:sc=-0.00135 X(o=-0.0014,f=-0.067) USER MOD Single : A 19 ASN : amide:sc= -2.47! X(o=-2.5!,f=-2.4) USER MOD Single : A 20 GLN : amide:sc= -0.779 K(o=-0.78,f=-3.9!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0.00391 USER MOD Single : A 24 LYS NZ :NH3+ -167:sc=-0.00887 (180deg=-0.161) USER MOD Single : A 26 CYS SG : rot -66:sc= 0.0799 USER MOD Single : A 29 TYR OH : rot 162:sc= -1.33! USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.332 K(o=-0.33,f=-2.1) USER MOD Single : A 42 MET CE :methyl 172:sc= -2.8 (180deg=-3.19) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 THR OG1 : rot 83:sc= 0.139 USER MOD Single : A 47 SER OG : rot 180:sc= -0.508 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 MET CE :methyl 180:sc=-0.00259 (180deg=-0.00259) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot -82:sc= 0.456 USER MOD Single : A 64 SER OG : rot -110:sc= -0.436 USER MOD Single : A 69 SER OG : rot 180:sc= -0.0261 USER MOD Single : A 71 HIS : no HE2:sc= -7.09! C(o=-7.1!,f=-7.6!) USER MOD Single : A 76 HIS :FLIP no HD1:sc= -1.63 F(o=-3.5!,f=-1.6) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -1.29 K(o=-1.3,f=-5.4!) USER MOD Single : A 84 THR OG1 : rot -76:sc= -1.23! USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 HIS : no HD1:sc= -0.0306 X(o=-0.031,f=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 30:sc= -1.32 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 43:sc= 0.414 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 36:sc= 0.598 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.360 -25.264 20.364 1.00 0.00 N ATOM 2 CA GLY A 1 -22.960 -25.406 21.752 1.00 0.00 C ATOM 3 C GLY A 1 -21.461 -25.287 21.939 1.00 0.00 C ATOM 4 O GLY A 1 -20.759 -26.294 22.029 1.00 0.00 O ATOM 0 H1 GLY A 1 -24.394 -25.353 20.290 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.067 -24.330 20.012 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.907 -26.007 19.794 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.459 -24.644 22.350 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -23.294 -26.374 22.126 1.00 0.00 H new ATOM 8 N SER A 2 -20.969 -24.053 21.995 1.00 0.00 N ATOM 9 CA SER A 2 -19.542 -23.807 22.167 1.00 0.00 C ATOM 10 C SER A 2 -18.728 -24.605 21.154 1.00 0.00 C ATOM 11 O SER A 2 -18.284 -25.719 21.436 1.00 0.00 O ATOM 12 CB SER A 2 -19.108 -24.170 23.588 1.00 0.00 C ATOM 13 OG SER A 2 -17.705 -24.041 23.741 1.00 0.00 O ATOM 0 H SER A 2 -21.537 -23.209 21.924 1.00 0.00 H new ATOM 0 HA SER A 2 -19.358 -22.746 21.999 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.616 -23.523 24.303 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.409 -25.193 23.814 1.00 0.00 H new ATOM 0 HG SER A 2 -17.453 -24.277 24.658 1.00 0.00 H new ATOM 19 N SER A 3 -18.534 -24.028 19.972 1.00 0.00 N ATOM 20 CA SER A 3 -17.776 -24.686 18.915 1.00 0.00 C ATOM 21 C SER A 3 -16.277 -24.610 19.193 1.00 0.00 C ATOM 22 O SER A 3 -15.613 -25.632 19.357 1.00 0.00 O ATOM 23 CB SER A 3 -18.088 -24.045 17.560 1.00 0.00 C ATOM 24 OG SER A 3 -17.867 -24.959 16.501 1.00 0.00 O ATOM 0 H SER A 3 -18.892 -23.106 19.723 1.00 0.00 H new ATOM 0 HA SER A 3 -18.071 -25.735 18.890 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.125 -23.708 17.544 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.464 -23.163 17.419 1.00 0.00 H new ATOM 0 HG SER A 3 -18.075 -24.526 15.647 1.00 0.00 H new ATOM 30 N GLY A 4 -15.752 -23.390 19.244 1.00 0.00 N ATOM 31 CA GLY A 4 -14.336 -23.202 19.501 1.00 0.00 C ATOM 32 C GLY A 4 -13.786 -21.954 18.840 1.00 0.00 C ATOM 33 O GLY A 4 -14.245 -20.845 19.114 1.00 0.00 O ATOM 0 H GLY A 4 -16.282 -22.528 19.112 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.170 -23.142 20.577 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.786 -24.072 19.141 1.00 0.00 H new ATOM 37 N SER A 5 -12.800 -22.134 17.967 1.00 0.00 N ATOM 38 CA SER A 5 -12.183 -21.013 17.268 1.00 0.00 C ATOM 39 C SER A 5 -11.718 -19.947 18.255 1.00 0.00 C ATOM 40 O SER A 5 -12.001 -20.027 19.450 1.00 0.00 O ATOM 41 CB SER A 5 -13.169 -20.404 16.268 1.00 0.00 C ATOM 42 OG SER A 5 -13.542 -21.347 15.279 1.00 0.00 O ATOM 0 H SER A 5 -12.411 -23.046 17.727 1.00 0.00 H new ATOM 0 HA SER A 5 -11.313 -21.387 16.728 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.057 -20.055 16.795 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.718 -19.533 15.792 1.00 0.00 H new ATOM 0 HG SER A 5 -14.173 -20.933 14.654 1.00 0.00 H new ATOM 48 N SER A 6 -11.002 -18.949 17.746 1.00 0.00 N ATOM 49 CA SER A 6 -10.493 -17.869 18.582 1.00 0.00 C ATOM 50 C SER A 6 -10.908 -16.510 18.025 1.00 0.00 C ATOM 51 O SER A 6 -10.950 -16.311 16.812 1.00 0.00 O ATOM 52 CB SER A 6 -8.969 -17.948 18.682 1.00 0.00 C ATOM 53 OG SER A 6 -8.370 -17.914 17.398 1.00 0.00 O ATOM 0 H SER A 6 -10.762 -18.867 16.758 1.00 0.00 H new ATOM 0 HA SER A 6 -10.921 -17.981 19.578 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.597 -17.117 19.282 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.682 -18.865 19.196 1.00 0.00 H new ATOM 0 HG SER A 6 -7.396 -17.964 17.490 1.00 0.00 H new ATOM 59 N GLY A 7 -11.213 -15.578 18.923 1.00 0.00 N ATOM 60 CA GLY A 7 -11.621 -14.250 18.504 1.00 0.00 C ATOM 61 C GLY A 7 -10.742 -13.695 17.401 1.00 0.00 C ATOM 62 O GLY A 7 -11.241 -13.162 16.410 1.00 0.00 O ATOM 0 H GLY A 7 -11.185 -15.719 19.933 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.654 -14.283 18.159 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.592 -13.577 19.361 1.00 0.00 H new ATOM 66 N ASN A 8 -9.430 -13.820 17.571 1.00 0.00 N ATOM 67 CA ASN A 8 -8.479 -13.324 16.582 1.00 0.00 C ATOM 68 C ASN A 8 -8.628 -11.818 16.393 1.00 0.00 C ATOM 69 O ASN A 8 -9.623 -11.222 16.808 1.00 0.00 O ATOM 70 CB ASN A 8 -8.684 -14.040 15.246 1.00 0.00 C ATOM 71 CG ASN A 8 -7.432 -14.031 14.389 1.00 0.00 C ATOM 72 OD1 ASN A 8 -6.357 -14.427 14.837 1.00 0.00 O ATOM 73 ND2 ASN A 8 -7.569 -13.579 13.147 1.00 0.00 N ATOM 0 H ASN A 8 -9.001 -14.261 18.385 1.00 0.00 H new ATOM 0 HA ASN A 8 -7.472 -13.528 16.946 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -8.987 -15.070 15.431 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -9.498 -13.562 14.701 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -6.763 -13.551 12.523 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -8.480 -13.260 12.818 1.00 0.00 H new ATOM 80 N THR A 9 -7.630 -11.205 15.761 1.00 0.00 N ATOM 81 CA THR A 9 -7.648 -9.769 15.517 1.00 0.00 C ATOM 82 C THR A 9 -7.314 -9.454 14.063 1.00 0.00 C ATOM 83 O THR A 9 -6.316 -9.934 13.527 1.00 0.00 O ATOM 84 CB THR A 9 -6.653 -9.030 16.432 1.00 0.00 C ATOM 85 OG1 THR A 9 -6.963 -9.291 17.804 1.00 0.00 O ATOM 86 CG2 THR A 9 -6.689 -7.532 16.174 1.00 0.00 C ATOM 0 H THR A 9 -6.800 -11.682 15.409 1.00 0.00 H new ATOM 0 HA THR A 9 -8.658 -9.424 15.738 1.00 0.00 H new ATOM 0 HB THR A 9 -5.650 -9.396 16.211 1.00 0.00 H new ATOM 0 HG1 THR A 9 -6.325 -8.819 18.379 1.00 0.00 H new ATOM 0 HG21 THR A 9 -5.978 -7.032 16.832 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.423 -7.335 15.136 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.692 -7.153 16.369 1.00 0.00 H new ATOM 94 N LYS A 10 -8.155 -8.644 13.430 1.00 0.00 N ATOM 95 CA LYS A 10 -7.950 -8.263 12.037 1.00 0.00 C ATOM 96 C LYS A 10 -8.654 -6.947 11.723 1.00 0.00 C ATOM 97 O LYS A 10 -9.607 -6.567 12.403 1.00 0.00 O ATOM 98 CB LYS A 10 -8.462 -9.363 11.105 1.00 0.00 C ATOM 99 CG LYS A 10 -7.453 -9.785 10.050 1.00 0.00 C ATOM 100 CD LYS A 10 -6.517 -10.861 10.573 1.00 0.00 C ATOM 101 CE LYS A 10 -6.377 -12.008 9.583 1.00 0.00 C ATOM 102 NZ LYS A 10 -7.636 -12.795 9.465 1.00 0.00 N ATOM 0 H LYS A 10 -8.986 -8.238 13.860 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.880 -8.129 11.877 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.738 -10.233 11.701 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.369 -9.015 10.610 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.979 -10.155 9.170 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.872 -8.919 9.733 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.537 -10.427 10.770 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.894 -11.242 11.522 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.103 -11.612 8.605 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.567 -12.664 9.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.434 -13.706 9.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.030 -12.964 10.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.324 -12.265 8.893 1.00 0.00 H new ATOM 116 N GLN A 11 -8.178 -6.258 10.691 1.00 0.00 N ATOM 117 CA GLN A 11 -8.764 -4.985 10.288 1.00 0.00 C ATOM 118 C GLN A 11 -8.701 -3.972 11.427 1.00 0.00 C ATOM 119 O GLN A 11 -8.404 -4.324 12.569 1.00 0.00 O ATOM 120 CB GLN A 11 -10.215 -5.185 9.846 1.00 0.00 C ATOM 121 CG GLN A 11 -10.429 -4.985 8.354 1.00 0.00 C ATOM 122 CD GLN A 11 -10.959 -6.230 7.669 1.00 0.00 C ATOM 123 OE1 GLN A 11 -10.433 -7.327 7.856 1.00 0.00 O ATOM 124 NE2 GLN A 11 -12.007 -6.065 6.870 1.00 0.00 N ATOM 0 H GLN A 11 -7.389 -6.559 10.119 1.00 0.00 H new ATOM 0 HA GLN A 11 -8.187 -4.597 9.449 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -10.534 -6.191 10.119 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -10.852 -4.489 10.393 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -11.128 -4.163 8.198 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -9.486 -4.694 7.891 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -12.411 -5.137 6.744 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -12.408 -6.866 6.382 1.00 0.00 H new ATOM 133 N LEU A 12 -8.984 -2.714 11.109 1.00 0.00 N ATOM 134 CA LEU A 12 -8.960 -1.649 12.105 1.00 0.00 C ATOM 135 C LEU A 12 -10.175 -0.739 11.959 1.00 0.00 C ATOM 136 O LEU A 12 -10.597 -0.424 10.847 1.00 0.00 O ATOM 137 CB LEU A 12 -7.676 -0.828 11.972 1.00 0.00 C ATOM 138 CG LEU A 12 -6.519 -1.241 12.883 1.00 0.00 C ATOM 139 CD1 LEU A 12 -5.193 -0.763 12.312 1.00 0.00 C ATOM 140 CD2 LEU A 12 -6.724 -0.693 14.287 1.00 0.00 C ATOM 0 H LEU A 12 -9.233 -2.406 10.169 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.990 -2.109 13.093 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.337 -0.886 10.938 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.914 0.217 12.171 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.497 -2.329 12.938 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.382 -1.066 12.974 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.041 -1.203 11.327 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.204 0.324 12.226 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.891 -0.997 14.921 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.773 0.395 14.249 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.655 -1.084 14.698 1.00 0.00 H new ATOM 152 N ARG A 13 -10.733 -0.320 13.090 1.00 0.00 N ATOM 153 CA ARG A 13 -11.900 0.555 13.088 1.00 0.00 C ATOM 154 C ARG A 13 -11.546 1.933 12.536 1.00 0.00 C ATOM 155 O ARG A 13 -10.485 2.480 12.838 1.00 0.00 O ATOM 156 CB ARG A 13 -12.465 0.690 14.503 1.00 0.00 C ATOM 157 CG ARG A 13 -13.636 -0.237 14.782 1.00 0.00 C ATOM 158 CD ARG A 13 -14.895 0.223 14.062 1.00 0.00 C ATOM 159 NE ARG A 13 -16.102 -0.066 14.831 1.00 0.00 N ATOM 160 CZ ARG A 13 -17.328 -0.017 14.320 1.00 0.00 C ATOM 161 NH1 ARG A 13 -17.508 0.310 13.048 1.00 0.00 N ATOM 162 NH2 ARG A 13 -18.377 -0.294 15.084 1.00 0.00 N ATOM 0 H ARG A 13 -10.396 -0.572 14.019 1.00 0.00 H new ATOM 0 HA ARG A 13 -12.657 0.108 12.443 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -11.672 0.487 15.223 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -12.783 1.721 14.662 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -13.384 -1.249 14.465 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -13.823 -0.276 15.855 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -14.833 1.295 13.873 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -14.957 -0.269 13.091 1.00 0.00 H new ATOM 0 HE ARG A 13 -15.999 -0.319 15.814 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -16.704 0.525 12.458 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -18.450 0.347 12.659 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -18.243 -0.545 16.064 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -19.318 -0.256 14.692 1.00 0.00 H new ATOM 176 N PHE A 14 -12.441 2.488 11.727 1.00 0.00 N ATOM 177 CA PHE A 14 -12.222 3.802 11.132 1.00 0.00 C ATOM 178 C PHE A 14 -12.071 4.870 12.211 1.00 0.00 C ATOM 179 O PHE A 14 -11.221 5.754 12.109 1.00 0.00 O ATOM 180 CB PHE A 14 -13.380 4.163 10.200 1.00 0.00 C ATOM 181 CG PHE A 14 -13.280 5.547 9.626 1.00 0.00 C ATOM 182 CD1 PHE A 14 -13.781 6.637 10.320 1.00 0.00 C ATOM 183 CD2 PHE A 14 -12.685 5.758 8.393 1.00 0.00 C ATOM 184 CE1 PHE A 14 -13.690 7.912 9.795 1.00 0.00 C ATOM 185 CE2 PHE A 14 -12.590 7.031 7.863 1.00 0.00 C ATOM 186 CZ PHE A 14 -13.095 8.110 8.565 1.00 0.00 C ATOM 0 H PHE A 14 -13.325 2.049 11.468 1.00 0.00 H new ATOM 0 HA PHE A 14 -11.299 3.762 10.554 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -13.417 3.442 9.384 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -14.318 4.073 10.748 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -14.248 6.488 11.282 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -12.291 4.918 7.840 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -14.084 8.753 10.346 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -12.122 7.183 6.902 1.00 0.00 H new ATOM 0 HZ PHE A 14 -13.024 9.105 8.152 1.00 0.00 H new ATOM 196 N GLU A 15 -12.903 4.780 13.244 1.00 0.00 N ATOM 197 CA GLU A 15 -12.863 5.740 14.341 1.00 0.00 C ATOM 198 C GLU A 15 -11.609 5.545 15.188 1.00 0.00 C ATOM 199 O GLU A 15 -11.251 6.406 15.993 1.00 0.00 O ATOM 200 CB GLU A 15 -14.111 5.599 15.217 1.00 0.00 C ATOM 201 CG GLU A 15 -15.393 6.022 14.522 1.00 0.00 C ATOM 202 CD GLU A 15 -16.611 5.894 15.416 1.00 0.00 C ATOM 203 OE1 GLU A 15 -16.563 6.398 16.558 1.00 0.00 O ATOM 204 OE2 GLU A 15 -17.611 5.290 14.975 1.00 0.00 O ATOM 0 H GLU A 15 -13.612 4.053 13.344 1.00 0.00 H new ATOM 0 HA GLU A 15 -12.840 6.742 13.913 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -14.206 4.561 15.535 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -13.982 6.198 16.118 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -15.298 7.056 14.190 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -15.536 5.413 13.630 1.00 0.00 H new ATOM 211 N ASP A 16 -10.946 4.410 15.001 1.00 0.00 N ATOM 212 CA ASP A 16 -9.731 4.101 15.747 1.00 0.00 C ATOM 213 C ASP A 16 -8.491 4.503 14.954 1.00 0.00 C ATOM 214 O ASP A 16 -7.481 4.910 15.527 1.00 0.00 O ATOM 215 CB ASP A 16 -9.677 2.610 16.082 1.00 0.00 C ATOM 216 CG ASP A 16 -8.954 2.335 17.386 1.00 0.00 C ATOM 217 OD1 ASP A 16 -7.721 2.525 17.431 1.00 0.00 O ATOM 218 OD2 ASP A 16 -9.620 1.931 18.361 1.00 0.00 O ATOM 0 H ASP A 16 -11.229 3.688 14.339 1.00 0.00 H new ATOM 0 HA ASP A 16 -9.748 4.672 16.675 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -10.692 2.217 16.143 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -9.177 2.077 15.273 1.00 0.00 H new ATOM 223 N VAL A 17 -8.574 4.383 13.633 1.00 0.00 N ATOM 224 CA VAL A 17 -7.459 4.732 12.762 1.00 0.00 C ATOM 225 C VAL A 17 -7.302 6.245 12.650 1.00 0.00 C ATOM 226 O VAL A 17 -6.198 6.776 12.772 1.00 0.00 O ATOM 227 CB VAL A 17 -7.642 4.141 11.351 1.00 0.00 C ATOM 228 CG1 VAL A 17 -6.557 4.649 10.414 1.00 0.00 C ATOM 229 CG2 VAL A 17 -7.640 2.621 11.407 1.00 0.00 C ATOM 0 H VAL A 17 -9.403 4.046 13.143 1.00 0.00 H new ATOM 0 HA VAL A 17 -6.561 4.308 13.212 1.00 0.00 H new ATOM 0 HB VAL A 17 -8.606 4.467 10.962 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.703 4.221 9.422 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.610 5.736 10.351 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.579 4.355 10.796 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.770 2.220 10.402 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.692 2.273 11.816 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -8.457 2.279 12.043 1.00 0.00 H new ATOM 239 N VAL A 18 -8.415 6.934 12.417 1.00 0.00 N ATOM 240 CA VAL A 18 -8.402 8.387 12.290 1.00 0.00 C ATOM 241 C VAL A 18 -7.850 9.043 13.551 1.00 0.00 C ATOM 242 O VAL A 18 -7.525 10.230 13.554 1.00 0.00 O ATOM 243 CB VAL A 18 -9.813 8.939 12.012 1.00 0.00 C ATOM 244 CG1 VAL A 18 -10.261 8.574 10.605 1.00 0.00 C ATOM 245 CG2 VAL A 18 -10.801 8.420 13.047 1.00 0.00 C ATOM 0 H VAL A 18 -9.337 6.510 12.312 1.00 0.00 H new ATOM 0 HA VAL A 18 -7.755 8.626 11.446 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.781 10.026 12.087 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -11.260 8.972 10.426 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -9.566 8.998 9.880 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -10.278 7.489 10.499 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -11.793 8.820 12.836 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.832 7.331 13.006 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.486 8.737 14.041 1.00 0.00 H new ATOM 255 N ASN A 19 -7.746 8.262 14.621 1.00 0.00 N ATOM 256 CA ASN A 19 -7.233 8.768 15.890 1.00 0.00 C ATOM 257 C ASN A 19 -5.734 8.512 16.011 1.00 0.00 C ATOM 258 O ASN A 19 -4.994 9.344 16.534 1.00 0.00 O ATOM 259 CB ASN A 19 -7.971 8.113 17.059 1.00 0.00 C ATOM 260 CG ASN A 19 -9.437 8.494 17.105 1.00 0.00 C ATOM 261 OD1 ASN A 19 -9.849 9.494 16.516 1.00 0.00 O ATOM 262 ND2 ASN A 19 -10.234 7.698 17.809 1.00 0.00 N ATOM 0 H ASN A 19 -8.010 7.277 14.635 1.00 0.00 H new ATOM 0 HA ASN A 19 -7.403 9.844 15.920 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -7.883 7.030 16.979 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -7.494 8.404 17.995 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -11.230 7.905 17.877 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -9.850 6.880 18.281 1.00 0.00 H new ATOM 269 N GLN A 20 -5.295 7.357 15.522 1.00 0.00 N ATOM 270 CA GLN A 20 -3.884 6.992 15.576 1.00 0.00 C ATOM 271 C GLN A 20 -2.997 8.220 15.398 1.00 0.00 C ATOM 272 O GLN A 20 -2.122 8.491 16.219 1.00 0.00 O ATOM 273 CB GLN A 20 -3.563 5.955 14.500 1.00 0.00 C ATOM 274 CG GLN A 20 -4.367 4.671 14.631 1.00 0.00 C ATOM 275 CD GLN A 20 -3.964 3.852 15.841 1.00 0.00 C ATOM 276 OE1 GLN A 20 -3.969 4.346 16.969 1.00 0.00 O ATOM 277 NE2 GLN A 20 -3.612 2.592 15.613 1.00 0.00 N ATOM 0 H GLN A 20 -5.895 6.658 15.084 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.683 6.561 16.557 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -3.750 6.392 13.519 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -2.501 5.715 14.545 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.427 4.916 14.699 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -4.236 4.071 13.731 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -3.622 2.224 14.662 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -3.331 1.993 16.389 1.00 0.00 H new ATOM 286 N SER A 21 -3.230 8.959 14.318 1.00 0.00 N ATOM 287 CA SER A 21 -2.449 10.156 14.028 1.00 0.00 C ATOM 288 C SER A 21 -3.331 11.400 14.056 1.00 0.00 C ATOM 289 O SER A 21 -4.558 11.305 14.035 1.00 0.00 O ATOM 290 CB SER A 21 -1.769 10.030 12.663 1.00 0.00 C ATOM 291 OG SER A 21 -0.373 10.252 12.766 1.00 0.00 O ATOM 0 H SER A 21 -3.953 8.750 13.630 1.00 0.00 H new ATOM 0 HA SER A 21 -1.685 10.256 14.799 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.953 9.037 12.252 1.00 0.00 H new ATOM 0 HB3 SER A 21 -2.204 10.749 11.969 1.00 0.00 H new ATOM 0 HG SER A 21 0.038 10.164 11.881 1.00 0.00 H new ATOM 297 N SER A 22 -2.695 12.567 14.103 1.00 0.00 N ATOM 298 CA SER A 22 -3.421 13.832 14.138 1.00 0.00 C ATOM 299 C SER A 22 -4.225 14.032 12.856 1.00 0.00 C ATOM 300 O SER A 22 -3.887 13.511 11.793 1.00 0.00 O ATOM 301 CB SER A 22 -2.450 14.997 14.331 1.00 0.00 C ATOM 302 OG SER A 22 -1.320 14.866 13.485 1.00 0.00 O ATOM 0 H SER A 22 -1.680 12.663 14.118 1.00 0.00 H new ATOM 0 HA SER A 22 -4.113 13.802 14.980 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.959 15.937 14.120 1.00 0.00 H new ATOM 0 HB3 SER A 22 -2.127 15.036 15.371 1.00 0.00 H new ATOM 0 HG SER A 22 -0.716 15.624 13.627 1.00 0.00 H new ATOM 308 N PRO A 23 -5.316 14.806 12.958 1.00 0.00 N ATOM 309 CA PRO A 23 -6.191 15.094 11.818 1.00 0.00 C ATOM 310 C PRO A 23 -5.524 16.001 10.789 1.00 0.00 C ATOM 311 O PRO A 23 -5.871 15.980 9.608 1.00 0.00 O ATOM 312 CB PRO A 23 -7.387 15.803 12.458 1.00 0.00 C ATOM 313 CG PRO A 23 -6.846 16.402 13.710 1.00 0.00 C ATOM 314 CD PRO A 23 -5.779 15.459 14.194 1.00 0.00 C ATOM 0 HA PRO A 23 -6.457 14.190 11.271 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -7.794 16.568 11.797 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -8.195 15.103 12.671 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -6.434 17.393 13.522 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -7.631 16.519 14.457 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -4.970 15.990 14.695 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -6.175 14.736 14.907 1.00 0.00 H new ATOM 322 N LYS A 24 -4.562 16.798 11.245 1.00 0.00 N ATOM 323 CA LYS A 24 -3.844 17.712 10.365 1.00 0.00 C ATOM 324 C LYS A 24 -2.948 16.945 9.398 1.00 0.00 C ATOM 325 O LYS A 24 -3.045 17.110 8.183 1.00 0.00 O ATOM 326 CB LYS A 24 -3.004 18.690 11.188 1.00 0.00 C ATOM 327 CG LYS A 24 -3.825 19.767 11.878 1.00 0.00 C ATOM 328 CD LYS A 24 -4.385 20.765 10.880 1.00 0.00 C ATOM 329 CE LYS A 24 -5.351 21.734 11.545 1.00 0.00 C ATOM 330 NZ LYS A 24 -6.618 21.063 11.950 1.00 0.00 N ATOM 0 H LYS A 24 -4.262 16.829 12.219 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.579 18.271 9.786 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.446 18.133 11.940 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.272 19.165 10.535 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.643 19.305 12.430 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.204 20.289 12.606 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.567 21.321 10.422 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.896 20.232 10.078 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.877 22.175 12.422 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.576 22.551 10.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.329 21.782 12.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.969 20.481 11.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.441 20.457 12.777 1.00 0.00 H new ATOM 344 N ASN A 25 -2.077 16.103 9.946 1.00 0.00 N ATOM 345 CA ASN A 25 -1.164 15.309 9.132 1.00 0.00 C ATOM 346 C ASN A 25 -1.830 14.016 8.671 1.00 0.00 C ATOM 347 O ASN A 25 -2.044 13.099 9.465 1.00 0.00 O ATOM 348 CB ASN A 25 0.108 14.988 9.919 1.00 0.00 C ATOM 349 CG ASN A 25 0.761 13.698 9.463 1.00 0.00 C ATOM 350 OD1 ASN A 25 0.425 12.597 10.126 1.00 0.00 O flip ATOM 351 ND2 ASN A 25 1.557 13.691 8.524 1.00 0.00 N flip ATOM 0 H ASN A 25 -1.985 15.953 10.951 1.00 0.00 H new ATOM 0 HA ASN A 25 -0.900 15.895 8.252 1.00 0.00 H new ATOM 0 HB2 ASN A 25 0.817 15.809 9.809 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.133 14.915 10.979 1.00 0.00 H new ATOM 0 HD21 ASN A 25 1.786 14.561 8.043 1.00 0.00 H new ATOM 0 HD22 ASN A 25 1.987 12.815 8.227 1.00 0.00 H new ATOM 358 N CYS A 26 -2.156 13.951 7.385 1.00 0.00 N ATOM 359 CA CYS A 26 -2.798 12.770 6.818 1.00 0.00 C ATOM 360 C CYS A 26 -1.886 12.090 5.803 1.00 0.00 C ATOM 361 O CYS A 26 -1.745 12.551 4.671 1.00 0.00 O ATOM 362 CB CYS A 26 -4.122 13.154 6.155 1.00 0.00 C ATOM 363 SG CYS A 26 -4.744 14.782 6.635 1.00 0.00 S ATOM 0 H CYS A 26 -1.987 14.702 6.715 1.00 0.00 H new ATOM 0 HA CYS A 26 -2.995 12.069 7.629 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -3.994 13.131 5.073 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -4.872 12.403 6.404 1.00 0.00 H new ATOM 0 HG CYS A 26 -5.064 14.770 7.895 1.00 0.00 H new ATOM 369 N THR A 27 -1.266 10.990 6.217 1.00 0.00 N ATOM 370 CA THR A 27 -0.365 10.246 5.345 1.00 0.00 C ATOM 371 C THR A 27 -0.707 8.761 5.340 1.00 0.00 C ATOM 372 O THR A 27 -1.328 8.252 6.273 1.00 0.00 O ATOM 373 CB THR A 27 1.104 10.421 5.776 1.00 0.00 C ATOM 374 OG1 THR A 27 1.401 11.811 5.950 1.00 0.00 O ATOM 375 CG2 THR A 27 2.046 9.823 4.741 1.00 0.00 C ATOM 0 H THR A 27 -1.371 10.594 7.151 1.00 0.00 H new ATOM 0 HA THR A 27 -0.492 10.649 4.340 1.00 0.00 H new ATOM 0 HB THR A 27 1.247 9.898 6.721 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.336 11.914 6.226 1.00 0.00 H new ATOM 0 HG21 THR A 27 3.077 9.958 5.067 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.837 8.759 4.631 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.899 10.323 3.784 1.00 0.00 H new ATOM 383 N VAL A 28 -0.296 8.068 4.282 1.00 0.00 N ATOM 384 CA VAL A 28 -0.557 6.639 4.155 1.00 0.00 C ATOM 385 C VAL A 28 0.677 5.897 3.656 1.00 0.00 C ATOM 386 O VAL A 28 1.052 6.010 2.488 1.00 0.00 O ATOM 387 CB VAL A 28 -1.731 6.365 3.197 1.00 0.00 C ATOM 388 CG1 VAL A 28 -1.941 4.869 3.023 1.00 0.00 C ATOM 389 CG2 VAL A 28 -2.999 7.035 3.703 1.00 0.00 C ATOM 0 H VAL A 28 0.219 8.473 3.501 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.818 6.276 5.149 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.488 6.789 2.222 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.775 4.695 2.343 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.037 4.420 2.611 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.162 4.418 3.990 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.818 6.831 3.014 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.249 6.644 4.689 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.840 8.111 3.769 1.00 0.00 H new ATOM 399 N TYR A 29 1.303 5.136 4.545 1.00 0.00 N ATOM 400 CA TYR A 29 2.497 4.375 4.195 1.00 0.00 C ATOM 401 C TYR A 29 2.126 2.996 3.659 1.00 0.00 C ATOM 402 O TYR A 29 1.451 2.217 4.332 1.00 0.00 O ATOM 403 CB TYR A 29 3.412 4.233 5.412 1.00 0.00 C ATOM 404 CG TYR A 29 4.651 3.406 5.146 1.00 0.00 C ATOM 405 CD1 TYR A 29 4.641 2.028 5.324 1.00 0.00 C ATOM 406 CD2 TYR A 29 5.829 4.004 4.715 1.00 0.00 C ATOM 407 CE1 TYR A 29 5.771 1.270 5.083 1.00 0.00 C ATOM 408 CE2 TYR A 29 6.962 3.253 4.470 1.00 0.00 C ATOM 409 CZ TYR A 29 6.928 1.887 4.655 1.00 0.00 C ATOM 410 OH TYR A 29 8.055 1.135 4.413 1.00 0.00 O ATOM 0 H TYR A 29 1.004 5.029 5.514 1.00 0.00 H new ATOM 0 HA TYR A 29 3.027 4.918 3.413 1.00 0.00 H new ATOM 0 HB2 TYR A 29 3.713 5.225 5.747 1.00 0.00 H new ATOM 0 HB3 TYR A 29 2.850 3.778 6.227 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.736 1.542 5.656 1.00 0.00 H new ATOM 0 HD2 TYR A 29 5.859 5.074 4.569 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.748 0.200 5.229 1.00 0.00 H new ATOM 0 HE2 TYR A 29 7.870 3.733 4.135 1.00 0.00 H new ATOM 0 HH TYR A 29 8.679 1.649 3.859 1.00 0.00 H new ATOM 420 N CYS A 30 2.574 2.701 2.444 1.00 0.00 N ATOM 421 CA CYS A 30 2.291 1.414 1.816 1.00 0.00 C ATOM 422 C CYS A 30 3.552 0.562 1.730 1.00 0.00 C ATOM 423 O CYS A 30 4.477 0.876 0.982 1.00 0.00 O ATOM 424 CB CYS A 30 1.706 1.625 0.418 1.00 0.00 C ATOM 425 SG CYS A 30 0.215 0.656 0.090 1.00 0.00 S ATOM 0 H CYS A 30 3.134 3.334 1.874 1.00 0.00 H new ATOM 0 HA CYS A 30 1.562 0.888 2.432 1.00 0.00 H new ATOM 0 HB2 CYS A 30 1.476 2.682 0.288 1.00 0.00 H new ATOM 0 HB3 CYS A 30 2.463 1.370 -0.324 1.00 0.00 H new ATOM 0 HG CYS A 30 -0.064 0.705 -1.179 1.00 0.00 H new ATOM 431 N GLY A 31 3.583 -0.520 2.503 1.00 0.00 N ATOM 432 CA GLY A 31 4.736 -1.401 2.500 1.00 0.00 C ATOM 433 C GLY A 31 4.368 -2.837 2.185 1.00 0.00 C ATOM 434 O GLY A 31 3.412 -3.376 2.741 1.00 0.00 O ATOM 0 H GLY A 31 2.830 -0.802 3.131 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.459 -1.045 1.766 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.224 -1.359 3.474 1.00 0.00 H new ATOM 438 N GLY A 32 5.129 -3.459 1.289 1.00 0.00 N ATOM 439 CA GLY A 32 4.860 -4.835 0.916 1.00 0.00 C ATOM 440 C GLY A 32 5.374 -5.171 -0.470 1.00 0.00 C ATOM 441 O GLY A 32 6.044 -6.188 -0.661 1.00 0.00 O ATOM 0 H GLY A 32 5.926 -3.034 0.815 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.322 -5.502 1.643 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.786 -5.016 0.955 1.00 0.00 H new ATOM 445 N ILE A 33 5.062 -4.317 -1.439 1.00 0.00 N ATOM 446 CA ILE A 33 5.498 -4.529 -2.814 1.00 0.00 C ATOM 447 C ILE A 33 7.006 -4.342 -2.948 1.00 0.00 C ATOM 448 O ILE A 33 7.612 -3.561 -2.215 1.00 0.00 O ATOM 449 CB ILE A 33 4.784 -3.570 -3.785 1.00 0.00 C ATOM 450 CG1 ILE A 33 3.275 -3.589 -3.538 1.00 0.00 C ATOM 451 CG2 ILE A 33 5.095 -3.947 -5.225 1.00 0.00 C ATOM 452 CD1 ILE A 33 2.637 -2.219 -3.593 1.00 0.00 C ATOM 0 H ILE A 33 4.509 -3.472 -1.297 1.00 0.00 H new ATOM 0 HA ILE A 33 5.238 -5.555 -3.073 1.00 0.00 H new ATOM 0 HB ILE A 33 5.149 -2.558 -3.607 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.801 -4.232 -4.280 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.080 -4.033 -2.562 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.583 -3.260 -5.899 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.170 -3.887 -5.393 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.754 -4.965 -5.416 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.566 -2.309 -3.409 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.084 -1.579 -2.832 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.800 -1.781 -4.578 1.00 0.00 H new ATOM 464 N ALA A 34 7.604 -5.064 -3.889 1.00 0.00 N ATOM 465 CA ALA A 34 9.041 -4.975 -4.122 1.00 0.00 C ATOM 466 C ALA A 34 9.369 -5.146 -5.601 1.00 0.00 C ATOM 467 O ALA A 34 10.247 -4.468 -6.135 1.00 0.00 O ATOM 468 CB ALA A 34 9.776 -6.017 -3.293 1.00 0.00 C ATOM 0 H ALA A 34 7.117 -5.717 -4.503 1.00 0.00 H new ATOM 0 HA ALA A 34 9.373 -3.983 -3.815 1.00 0.00 H new ATOM 0 HB1 ALA A 34 10.847 -5.939 -3.477 1.00 0.00 H new ATOM 0 HB2 ALA A 34 9.576 -5.847 -2.235 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.432 -7.013 -3.572 1.00 0.00 H new ATOM 474 N SER A 35 8.657 -6.056 -6.259 1.00 0.00 N ATOM 475 CA SER A 35 8.876 -6.319 -7.677 1.00 0.00 C ATOM 476 C SER A 35 7.830 -5.609 -8.529 1.00 0.00 C ATOM 477 O SER A 35 8.029 -5.393 -9.724 1.00 0.00 O ATOM 478 CB SER A 35 8.837 -7.825 -7.949 1.00 0.00 C ATOM 479 OG SER A 35 9.552 -8.148 -9.129 1.00 0.00 O ATOM 0 H SER A 35 7.924 -6.623 -5.833 1.00 0.00 H new ATOM 0 HA SER A 35 9.859 -5.934 -7.946 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.265 -8.362 -7.102 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.802 -8.154 -8.045 1.00 0.00 H new ATOM 0 HG SER A 35 9.514 -9.116 -9.280 1.00 0.00 H new ATOM 485 N GLY A 36 6.712 -5.248 -7.905 1.00 0.00 N ATOM 486 CA GLY A 36 5.650 -4.566 -8.620 1.00 0.00 C ATOM 487 C GLY A 36 5.298 -3.229 -8.000 1.00 0.00 C ATOM 488 O GLY A 36 4.123 -2.906 -7.826 1.00 0.00 O ATOM 0 H GLY A 36 6.524 -5.416 -6.917 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.953 -4.414 -9.656 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.763 -5.199 -8.637 1.00 0.00 H new ATOM 492 N LEU A 37 6.320 -2.449 -7.662 1.00 0.00 N ATOM 493 CA LEU A 37 6.113 -1.139 -7.054 1.00 0.00 C ATOM 494 C LEU A 37 6.188 -0.034 -8.104 1.00 0.00 C ATOM 495 O LEU A 37 7.266 0.290 -8.604 1.00 0.00 O ATOM 496 CB LEU A 37 7.154 -0.891 -5.961 1.00 0.00 C ATOM 497 CG LEU A 37 6.659 -0.154 -4.717 1.00 0.00 C ATOM 498 CD1 LEU A 37 7.820 0.509 -3.992 1.00 0.00 C ATOM 499 CD2 LEU A 37 5.605 0.877 -5.093 1.00 0.00 C ATOM 0 H LEU A 37 7.299 -2.701 -7.799 1.00 0.00 H new ATOM 0 HA LEU A 37 5.118 -1.126 -6.609 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.562 -1.853 -5.651 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.976 -0.321 -6.393 1.00 0.00 H new ATOM 0 HG LEU A 37 6.205 -0.881 -4.044 1.00 0.00 H new ATOM 0 HD11 LEU A 37 7.448 1.029 -3.109 1.00 0.00 H new ATOM 0 HD12 LEU A 37 8.541 -0.250 -3.689 1.00 0.00 H new ATOM 0 HD13 LEU A 37 8.304 1.224 -4.657 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.264 1.392 -4.195 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.035 1.601 -5.786 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.761 0.378 -5.568 1.00 0.00 H new ATOM 511 N THR A 38 5.037 0.542 -8.432 1.00 0.00 N ATOM 512 CA THR A 38 4.971 1.612 -9.420 1.00 0.00 C ATOM 513 C THR A 38 3.945 2.667 -9.023 1.00 0.00 C ATOM 514 O THR A 38 2.916 2.351 -8.426 1.00 0.00 O ATOM 515 CB THR A 38 4.616 1.066 -10.816 1.00 0.00 C ATOM 516 OG1 THR A 38 3.520 0.150 -10.719 1.00 0.00 O ATOM 517 CG2 THR A 38 5.813 0.367 -11.445 1.00 0.00 C ATOM 0 H THR A 38 4.136 0.286 -8.028 1.00 0.00 H new ATOM 0 HA THR A 38 5.960 2.069 -9.457 1.00 0.00 H new ATOM 0 HB THR A 38 4.332 1.907 -11.449 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.299 -0.191 -11.611 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.538 -0.010 -12.430 1.00 0.00 H new ATOM 0 HG22 THR A 38 6.637 1.074 -11.544 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.123 -0.464 -10.812 1.00 0.00 H new ATOM 525 N ASP A 39 4.230 3.920 -9.359 1.00 0.00 N ATOM 526 CA ASP A 39 3.330 5.021 -9.039 1.00 0.00 C ATOM 527 C ASP A 39 1.923 4.743 -9.561 1.00 0.00 C ATOM 528 O ASP A 39 0.937 4.960 -8.858 1.00 0.00 O ATOM 529 CB ASP A 39 3.858 6.328 -9.632 1.00 0.00 C ATOM 530 CG ASP A 39 3.662 7.507 -8.700 1.00 0.00 C ATOM 531 OD1 ASP A 39 2.530 8.033 -8.638 1.00 0.00 O ATOM 532 OD2 ASP A 39 4.640 7.905 -8.032 1.00 0.00 O ATOM 0 H ASP A 39 5.078 4.198 -9.853 1.00 0.00 H new ATOM 0 HA ASP A 39 3.283 5.116 -7.954 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.919 6.219 -9.857 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.351 6.526 -10.576 1.00 0.00 H new ATOM 537 N GLN A 40 1.841 4.263 -10.797 1.00 0.00 N ATOM 538 CA GLN A 40 0.556 3.957 -11.414 1.00 0.00 C ATOM 539 C GLN A 40 -0.238 2.974 -10.559 1.00 0.00 C ATOM 540 O GLN A 40 -1.469 2.985 -10.563 1.00 0.00 O ATOM 541 CB GLN A 40 0.762 3.381 -12.815 1.00 0.00 C ATOM 542 CG GLN A 40 -0.536 3.071 -13.543 1.00 0.00 C ATOM 543 CD GLN A 40 -1.365 4.312 -13.812 1.00 0.00 C ATOM 544 OE1 GLN A 40 -0.898 5.436 -13.628 1.00 0.00 O ATOM 545 NE2 GLN A 40 -2.603 4.114 -14.251 1.00 0.00 N ATOM 0 H GLN A 40 2.649 4.077 -11.391 1.00 0.00 H new ATOM 0 HA GLN A 40 -0.011 4.885 -11.491 1.00 0.00 H new ATOM 0 HB2 GLN A 40 1.341 4.089 -13.408 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.354 2.469 -12.740 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.309 2.578 -14.488 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -1.122 2.369 -12.950 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.949 3.165 -14.389 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -3.207 4.911 -14.450 1.00 0.00 H new ATOM 554 N LEU A 41 0.475 2.125 -9.827 1.00 0.00 N ATOM 555 CA LEU A 41 -0.162 1.134 -8.967 1.00 0.00 C ATOM 556 C LEU A 41 -0.810 1.800 -7.757 1.00 0.00 C ATOM 557 O LEU A 41 -2.008 1.646 -7.519 1.00 0.00 O ATOM 558 CB LEU A 41 0.862 0.097 -8.505 1.00 0.00 C ATOM 559 CG LEU A 41 0.313 -1.069 -7.681 1.00 0.00 C ATOM 560 CD1 LEU A 41 -0.764 -1.810 -8.457 1.00 0.00 C ATOM 561 CD2 LEU A 41 1.435 -2.017 -7.284 1.00 0.00 C ATOM 0 H LEU A 41 1.495 2.103 -9.812 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.940 0.634 -9.544 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.360 -0.309 -9.385 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.624 0.606 -7.914 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.134 -0.667 -6.772 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.143 -2.636 -7.855 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.580 -1.126 -8.690 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.342 -2.200 -9.383 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.026 -2.840 -6.698 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.912 -2.412 -8.181 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.172 -1.479 -6.688 1.00 0.00 H new ATOM 573 N MET A 42 -0.011 2.540 -6.997 1.00 0.00 N ATOM 574 CA MET A 42 -0.507 3.232 -5.813 1.00 0.00 C ATOM 575 C MET A 42 -1.556 4.274 -6.193 1.00 0.00 C ATOM 576 O MET A 42 -2.539 4.468 -5.477 1.00 0.00 O ATOM 577 CB MET A 42 0.647 3.903 -5.066 1.00 0.00 C ATOM 578 CG MET A 42 1.655 2.919 -4.495 1.00 0.00 C ATOM 579 SD MET A 42 0.918 1.782 -3.305 1.00 0.00 S ATOM 580 CE MET A 42 0.844 0.278 -4.274 1.00 0.00 C ATOM 0 H MET A 42 0.983 2.676 -7.179 1.00 0.00 H new ATOM 0 HA MET A 42 -0.972 2.494 -5.160 1.00 0.00 H new ATOM 0 HB2 MET A 42 1.161 4.584 -5.744 1.00 0.00 H new ATOM 0 HB3 MET A 42 0.241 4.507 -4.254 1.00 0.00 H new ATOM 0 HG2 MET A 42 2.101 2.348 -5.309 1.00 0.00 H new ATOM 0 HG3 MET A 42 2.462 3.470 -4.013 1.00 0.00 H new ATOM 0 HE1 MET A 42 0.544 -0.552 -3.635 1.00 0.00 H new ATOM 0 HE2 MET A 42 0.117 0.398 -5.078 1.00 0.00 H new ATOM 0 HE3 MET A 42 1.826 0.071 -4.700 1.00 0.00 H new ATOM 590 N ARG A 43 -1.340 4.940 -7.322 1.00 0.00 N ATOM 591 CA ARG A 43 -2.266 5.963 -7.794 1.00 0.00 C ATOM 592 C ARG A 43 -3.627 5.354 -8.122 1.00 0.00 C ATOM 593 O ARG A 43 -4.667 5.922 -7.789 1.00 0.00 O ATOM 594 CB ARG A 43 -1.699 6.662 -9.031 1.00 0.00 C ATOM 595 CG ARG A 43 -2.065 8.135 -9.118 1.00 0.00 C ATOM 596 CD ARG A 43 -2.151 8.603 -10.563 1.00 0.00 C ATOM 597 NE ARG A 43 -3.338 9.417 -10.806 1.00 0.00 N ATOM 598 CZ ARG A 43 -4.574 8.931 -10.808 1.00 0.00 C ATOM 599 NH1 ARG A 43 -4.783 7.642 -10.580 1.00 0.00 N ATOM 600 NH2 ARG A 43 -5.604 9.736 -11.036 1.00 0.00 N ATOM 0 H ARG A 43 -0.533 4.790 -7.927 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.396 6.696 -6.997 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -0.613 6.565 -9.027 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.061 6.153 -9.924 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -3.021 8.303 -8.622 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.321 8.728 -8.586 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -1.260 9.179 -10.811 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.164 7.737 -11.224 1.00 0.00 H new ATOM 0 HE ARG A 43 -3.211 10.413 -10.984 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.994 7.021 -10.402 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -5.733 7.271 -10.582 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -5.447 10.729 -11.210 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -6.553 9.362 -11.037 1.00 0.00 H new ATOM 614 N GLN A 44 -3.610 4.196 -8.775 1.00 0.00 N ATOM 615 CA GLN A 44 -4.842 3.512 -9.148 1.00 0.00 C ATOM 616 C GLN A 44 -5.494 2.862 -7.931 1.00 0.00 C ATOM 617 O GLN A 44 -6.715 2.898 -7.774 1.00 0.00 O ATOM 618 CB GLN A 44 -4.560 2.454 -10.216 1.00 0.00 C ATOM 619 CG GLN A 44 -5.714 2.245 -11.184 1.00 0.00 C ATOM 620 CD GLN A 44 -5.558 0.986 -12.014 1.00 0.00 C ATOM 621 OE1 GLN A 44 -4.866 0.981 -13.032 1.00 0.00 O ATOM 622 NE2 GLN A 44 -6.202 -0.092 -11.581 1.00 0.00 N ATOM 0 H GLN A 44 -2.757 3.713 -9.056 1.00 0.00 H new ATOM 0 HA GLN A 44 -5.530 4.253 -9.554 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.673 2.745 -10.778 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -4.331 1.507 -9.727 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -6.648 2.193 -10.624 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -5.787 3.107 -11.848 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -6.765 -0.043 -10.732 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -6.134 -0.969 -12.098 1.00 0.00 H new ATOM 631 N THR A 45 -4.671 2.268 -7.073 1.00 0.00 N ATOM 632 CA THR A 45 -5.167 1.609 -5.871 1.00 0.00 C ATOM 633 C THR A 45 -5.792 2.614 -4.911 1.00 0.00 C ATOM 634 O THR A 45 -6.808 2.330 -4.275 1.00 0.00 O ATOM 635 CB THR A 45 -4.041 0.850 -5.142 1.00 0.00 C ATOM 636 OG1 THR A 45 -3.670 -0.312 -5.890 1.00 0.00 O ATOM 637 CG2 THR A 45 -4.482 0.442 -3.745 1.00 0.00 C ATOM 0 H THR A 45 -3.658 2.230 -7.188 1.00 0.00 H new ATOM 0 HA THR A 45 -5.927 0.897 -6.191 1.00 0.00 H new ATOM 0 HB THR A 45 -3.181 1.514 -5.055 1.00 0.00 H new ATOM 0 HG1 THR A 45 -3.042 -0.058 -6.599 1.00 0.00 H new ATOM 0 HG21 THR A 45 -3.672 -0.092 -3.249 1.00 0.00 H new ATOM 0 HG22 THR A 45 -4.736 1.332 -3.169 1.00 0.00 H new ATOM 0 HG23 THR A 45 -5.355 -0.207 -3.814 1.00 0.00 H new ATOM 645 N PHE A 46 -5.180 3.789 -4.810 1.00 0.00 N ATOM 646 CA PHE A 46 -5.677 4.837 -3.926 1.00 0.00 C ATOM 647 C PHE A 46 -6.582 5.805 -4.685 1.00 0.00 C ATOM 648 O PHE A 46 -7.307 6.595 -4.081 1.00 0.00 O ATOM 649 CB PHE A 46 -4.510 5.599 -3.297 1.00 0.00 C ATOM 650 CG PHE A 46 -3.715 4.781 -2.322 1.00 0.00 C ATOM 651 CD1 PHE A 46 -4.319 4.233 -1.202 1.00 0.00 C ATOM 652 CD2 PHE A 46 -2.362 4.558 -2.524 1.00 0.00 C ATOM 653 CE1 PHE A 46 -3.591 3.478 -0.302 1.00 0.00 C ATOM 654 CE2 PHE A 46 -1.628 3.804 -1.628 1.00 0.00 C ATOM 655 CZ PHE A 46 -2.243 3.264 -0.514 1.00 0.00 C ATOM 0 H PHE A 46 -4.339 4.040 -5.330 1.00 0.00 H new ATOM 0 HA PHE A 46 -6.261 4.365 -3.136 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.848 5.951 -4.088 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -4.896 6.482 -2.788 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.372 4.398 -1.030 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.876 4.978 -3.392 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.076 3.056 0.566 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.575 3.637 -1.798 1.00 0.00 H new ATOM 0 HZ PHE A 46 -1.671 2.676 0.189 1.00 0.00 H new ATOM 665 N SER A 47 -6.532 5.735 -6.011 1.00 0.00 N ATOM 666 CA SER A 47 -7.343 6.607 -6.852 1.00 0.00 C ATOM 667 C SER A 47 -8.762 6.724 -6.305 1.00 0.00 C ATOM 668 O SER A 47 -9.233 7.809 -5.960 1.00 0.00 O ATOM 669 CB SER A 47 -7.381 6.075 -8.287 1.00 0.00 C ATOM 670 OG SER A 47 -8.682 6.183 -8.837 1.00 0.00 O ATOM 0 H SER A 47 -5.939 5.084 -6.526 1.00 0.00 H new ATOM 0 HA SER A 47 -6.888 7.598 -6.850 1.00 0.00 H new ATOM 0 HB2 SER A 47 -6.675 6.632 -8.903 1.00 0.00 H new ATOM 0 HB3 SER A 47 -7.063 5.033 -8.300 1.00 0.00 H new ATOM 0 HG SER A 47 -8.679 5.838 -9.754 1.00 0.00 H new ATOM 676 N PRO A 48 -9.461 5.583 -6.223 1.00 0.00 N ATOM 677 CA PRO A 48 -10.836 5.531 -5.718 1.00 0.00 C ATOM 678 C PRO A 48 -10.913 5.800 -4.218 1.00 0.00 C ATOM 679 O PRO A 48 -11.750 6.577 -3.760 1.00 0.00 O ATOM 680 CB PRO A 48 -11.273 4.096 -6.026 1.00 0.00 C ATOM 681 CG PRO A 48 -10.004 3.317 -6.076 1.00 0.00 C ATOM 682 CD PRO A 48 -8.962 4.255 -6.617 1.00 0.00 C ATOM 0 HA PRO A 48 -11.468 6.292 -6.177 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -11.943 3.712 -5.257 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -11.810 4.040 -6.973 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -9.728 2.957 -5.085 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -10.109 2.440 -6.715 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -7.979 4.052 -6.191 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -8.865 4.167 -7.699 1.00 0.00 H new ATOM 690 N PHE A 49 -10.035 5.153 -3.460 1.00 0.00 N ATOM 691 CA PHE A 49 -10.003 5.323 -2.011 1.00 0.00 C ATOM 692 C PHE A 49 -10.146 6.794 -1.633 1.00 0.00 C ATOM 693 O PHE A 49 -10.576 7.122 -0.528 1.00 0.00 O ATOM 694 CB PHE A 49 -8.701 4.761 -1.439 1.00 0.00 C ATOM 695 CG PHE A 49 -8.786 3.308 -1.067 1.00 0.00 C ATOM 696 CD1 PHE A 49 -9.825 2.842 -0.277 1.00 0.00 C ATOM 697 CD2 PHE A 49 -7.828 2.409 -1.507 1.00 0.00 C ATOM 698 CE1 PHE A 49 -9.905 1.506 0.067 1.00 0.00 C ATOM 699 CE2 PHE A 49 -7.904 1.072 -1.166 1.00 0.00 C ATOM 700 CZ PHE A 49 -8.944 0.620 -0.378 1.00 0.00 C ATOM 0 H PHE A 49 -9.336 4.506 -3.824 1.00 0.00 H new ATOM 0 HA PHE A 49 -10.844 4.774 -1.587 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.905 4.894 -2.171 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -8.422 5.338 -0.557 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -10.580 3.530 0.073 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -7.012 2.757 -2.124 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -10.719 1.155 0.684 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -7.151 0.381 -1.515 1.00 0.00 H new ATOM 0 HZ PHE A 49 -9.006 -0.424 -0.110 1.00 0.00 H new ATOM 710 N GLY A 50 -9.782 7.675 -2.560 1.00 0.00 N ATOM 711 CA GLY A 50 -9.876 9.100 -2.306 1.00 0.00 C ATOM 712 C GLY A 50 -8.969 9.912 -3.208 1.00 0.00 C ATOM 713 O GLY A 50 -8.517 9.424 -4.245 1.00 0.00 O ATOM 0 H GLY A 50 -9.424 7.427 -3.482 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -10.907 9.424 -2.447 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.619 9.298 -1.265 1.00 0.00 H new ATOM 717 N GLN A 51 -8.702 11.154 -2.816 1.00 0.00 N ATOM 718 CA GLN A 51 -7.844 12.035 -3.600 1.00 0.00 C ATOM 719 C GLN A 51 -6.389 11.908 -3.163 1.00 0.00 C ATOM 720 O GLN A 51 -6.097 11.797 -1.971 1.00 0.00 O ATOM 721 CB GLN A 51 -8.306 13.486 -3.462 1.00 0.00 C ATOM 722 CG GLN A 51 -8.152 14.298 -4.737 1.00 0.00 C ATOM 723 CD GLN A 51 -9.468 14.861 -5.235 1.00 0.00 C ATOM 724 OE1 GLN A 51 -10.426 14.122 -5.461 1.00 0.00 O ATOM 725 NE2 GLN A 51 -9.523 16.176 -5.407 1.00 0.00 N ATOM 0 H GLN A 51 -9.067 11.573 -1.961 1.00 0.00 H new ATOM 0 HA GLN A 51 -7.917 11.736 -4.646 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -9.353 13.498 -3.158 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -7.737 13.965 -2.665 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -7.455 15.117 -4.559 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -7.714 13.670 -5.512 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -8.705 16.751 -5.207 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -10.384 16.611 -5.739 1.00 0.00 H new ATOM 734 N ILE A 52 -5.481 11.924 -4.133 1.00 0.00 N ATOM 735 CA ILE A 52 -4.056 11.812 -3.847 1.00 0.00 C ATOM 736 C ILE A 52 -3.312 13.080 -4.250 1.00 0.00 C ATOM 737 O ILE A 52 -3.400 13.526 -5.394 1.00 0.00 O ATOM 738 CB ILE A 52 -3.429 10.609 -4.575 1.00 0.00 C ATOM 739 CG1 ILE A 52 -4.184 9.324 -4.229 1.00 0.00 C ATOM 740 CG2 ILE A 52 -1.957 10.479 -4.214 1.00 0.00 C ATOM 741 CD1 ILE A 52 -3.886 8.176 -5.167 1.00 0.00 C ATOM 0 H ILE A 52 -5.707 12.013 -5.124 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.961 11.665 -2.771 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.506 10.774 -5.650 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.930 9.026 -3.212 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.255 9.526 -4.244 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.528 9.624 -4.737 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.429 11.386 -4.508 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.858 10.334 -3.138 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.456 7.299 -4.861 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.166 8.454 -6.183 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.821 7.946 -5.134 1.00 0.00 H new ATOM 753 N MET A 53 -2.580 13.657 -3.304 1.00 0.00 N ATOM 754 CA MET A 53 -1.818 14.874 -3.561 1.00 0.00 C ATOM 755 C MET A 53 -0.452 14.544 -4.155 1.00 0.00 C ATOM 756 O MET A 53 -0.067 15.091 -5.188 1.00 0.00 O ATOM 757 CB MET A 53 -1.646 15.677 -2.270 1.00 0.00 C ATOM 758 CG MET A 53 -2.868 15.642 -1.366 1.00 0.00 C ATOM 759 SD MET A 53 -4.416 15.628 -2.289 1.00 0.00 S ATOM 760 CE MET A 53 -4.445 17.302 -2.925 1.00 0.00 C ATOM 0 H MET A 53 -2.498 13.302 -2.351 1.00 0.00 H new ATOM 0 HA MET A 53 -2.373 15.475 -4.282 1.00 0.00 H new ATOM 0 HB2 MET A 53 -0.787 15.289 -1.722 1.00 0.00 H new ATOM 0 HB3 MET A 53 -1.421 16.713 -2.523 1.00 0.00 H new ATOM 0 HG2 MET A 53 -2.820 14.757 -0.731 1.00 0.00 H new ATOM 0 HG3 MET A 53 -2.851 16.509 -0.706 1.00 0.00 H new ATOM 0 HE1 MET A 53 -5.346 17.450 -3.520 1.00 0.00 H new ATOM 0 HE2 MET A 53 -4.439 18.007 -2.094 1.00 0.00 H new ATOM 0 HE3 MET A 53 -3.567 17.469 -3.549 1.00 0.00 H new ATOM 770 N GLU A 54 0.274 13.648 -3.494 1.00 0.00 N ATOM 771 CA GLU A 54 1.598 13.249 -3.958 1.00 0.00 C ATOM 772 C GLU A 54 1.819 11.753 -3.747 1.00 0.00 C ATOM 773 O GLU A 54 1.178 11.134 -2.897 1.00 0.00 O ATOM 774 CB GLU A 54 2.681 14.043 -3.225 1.00 0.00 C ATOM 775 CG GLU A 54 3.890 14.363 -4.088 1.00 0.00 C ATOM 776 CD GLU A 54 4.667 15.563 -3.584 1.00 0.00 C ATOM 777 OE1 GLU A 54 4.896 15.650 -2.358 1.00 0.00 O ATOM 778 OE2 GLU A 54 5.045 16.416 -4.413 1.00 0.00 O ATOM 0 H GLU A 54 -0.031 13.186 -2.638 1.00 0.00 H new ATOM 0 HA GLU A 54 1.661 13.463 -5.025 1.00 0.00 H new ATOM 0 HB2 GLU A 54 2.251 14.975 -2.857 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.007 13.477 -2.353 1.00 0.00 H new ATOM 0 HG2 GLU A 54 4.549 13.495 -4.119 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.562 14.551 -5.110 1.00 0.00 H new ATOM 785 N ILE A 55 2.729 11.180 -4.527 1.00 0.00 N ATOM 786 CA ILE A 55 3.036 9.759 -4.427 1.00 0.00 C ATOM 787 C ILE A 55 4.539 9.515 -4.489 1.00 0.00 C ATOM 788 O ILE A 55 5.242 10.109 -5.306 1.00 0.00 O ATOM 789 CB ILE A 55 2.350 8.954 -5.547 1.00 0.00 C ATOM 790 CG1 ILE A 55 0.831 8.963 -5.354 1.00 0.00 C ATOM 791 CG2 ILE A 55 2.877 7.528 -5.574 1.00 0.00 C ATOM 792 CD1 ILE A 55 0.109 7.937 -6.199 1.00 0.00 C ATOM 0 H ILE A 55 3.267 11.679 -5.236 1.00 0.00 H new ATOM 0 HA ILE A 55 2.655 9.422 -3.463 1.00 0.00 H new ATOM 0 HB ILE A 55 2.579 9.423 -6.504 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.605 8.781 -4.303 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.448 9.955 -5.595 1.00 0.00 H new ATOM 0 HG21 ILE A 55 2.382 6.972 -6.371 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.952 7.541 -5.754 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.675 7.047 -4.617 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.963 8.000 -6.011 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.305 8.131 -7.254 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.464 6.939 -5.942 1.00 0.00 H new ATOM 804 N ARG A 56 5.026 8.634 -3.621 1.00 0.00 N ATOM 805 CA ARG A 56 6.447 8.310 -3.578 1.00 0.00 C ATOM 806 C ARG A 56 6.658 6.802 -3.469 1.00 0.00 C ATOM 807 O ARG A 56 6.455 6.211 -2.408 1.00 0.00 O ATOM 808 CB ARG A 56 7.117 9.015 -2.396 1.00 0.00 C ATOM 809 CG ARG A 56 8.130 10.069 -2.813 1.00 0.00 C ATOM 810 CD ARG A 56 9.335 9.444 -3.496 1.00 0.00 C ATOM 811 NE ARG A 56 10.093 10.423 -4.272 1.00 0.00 N ATOM 812 CZ ARG A 56 10.906 11.322 -3.729 1.00 0.00 C ATOM 813 NH1 ARG A 56 11.067 11.365 -2.414 1.00 0.00 N ATOM 814 NH2 ARG A 56 11.561 12.179 -4.502 1.00 0.00 N ATOM 0 H ARG A 56 4.458 8.132 -2.939 1.00 0.00 H new ATOM 0 HA ARG A 56 6.901 8.658 -4.506 1.00 0.00 H new ATOM 0 HB2 ARG A 56 6.349 9.484 -1.780 1.00 0.00 H new ATOM 0 HB3 ARG A 56 7.614 8.271 -1.774 1.00 0.00 H new ATOM 0 HG2 ARG A 56 7.657 10.782 -3.488 1.00 0.00 H new ATOM 0 HG3 ARG A 56 8.457 10.628 -1.936 1.00 0.00 H new ATOM 0 HD2 ARG A 56 9.985 8.995 -2.745 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.003 8.640 -4.152 1.00 0.00 H new ATOM 0 HE ARG A 56 9.992 10.416 -5.287 1.00 0.00 H new ATOM 0 HH11 ARG A 56 10.566 10.707 -1.817 1.00 0.00 H new ATOM 0 HH12 ARG A 56 11.692 12.056 -1.999 1.00 0.00 H new ATOM 0 HH21 ARG A 56 11.440 12.148 -5.514 1.00 0.00 H new ATOM 0 HH22 ARG A 56 12.185 12.869 -4.084 1.00 0.00 H new ATOM 828 N VAL A 57 7.065 6.186 -4.574 1.00 0.00 N ATOM 829 CA VAL A 57 7.305 4.747 -4.604 1.00 0.00 C ATOM 830 C VAL A 57 8.785 4.432 -4.422 1.00 0.00 C ATOM 831 O VAL A 57 9.645 5.063 -5.038 1.00 0.00 O ATOM 832 CB VAL A 57 6.817 4.124 -5.925 1.00 0.00 C ATOM 833 CG1 VAL A 57 5.391 4.561 -6.227 1.00 0.00 C ATOM 834 CG2 VAL A 57 7.750 4.498 -7.066 1.00 0.00 C ATOM 0 H VAL A 57 7.236 6.660 -5.461 1.00 0.00 H new ATOM 0 HA VAL A 57 6.741 4.315 -3.777 1.00 0.00 H new ATOM 0 HB VAL A 57 6.825 3.039 -5.820 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.063 4.111 -7.164 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.733 4.239 -5.420 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.354 5.647 -6.314 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.390 4.049 -7.992 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.776 5.582 -7.174 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.753 4.131 -6.851 1.00 0.00 H new ATOM 844 N PHE A 58 9.076 3.452 -3.574 1.00 0.00 N ATOM 845 CA PHE A 58 10.454 3.053 -3.311 1.00 0.00 C ATOM 846 C PHE A 58 10.662 1.575 -3.627 1.00 0.00 C ATOM 847 O PHE A 58 10.609 0.713 -2.749 1.00 0.00 O ATOM 848 CB PHE A 58 10.817 3.329 -1.850 1.00 0.00 C ATOM 849 CG PHE A 58 11.045 4.784 -1.555 1.00 0.00 C ATOM 850 CD1 PHE A 58 9.974 5.643 -1.368 1.00 0.00 C ATOM 851 CD2 PHE A 58 12.330 5.293 -1.463 1.00 0.00 C ATOM 852 CE1 PHE A 58 10.181 6.983 -1.096 1.00 0.00 C ATOM 853 CE2 PHE A 58 12.543 6.631 -1.191 1.00 0.00 C ATOM 854 CZ PHE A 58 11.467 7.477 -1.008 1.00 0.00 C ATOM 0 H PHE A 58 8.377 2.919 -3.057 1.00 0.00 H new ATOM 0 HA PHE A 58 11.106 3.640 -3.958 1.00 0.00 H new ATOM 0 HB2 PHE A 58 10.018 2.957 -1.209 1.00 0.00 H new ATOM 0 HB3 PHE A 58 11.717 2.769 -1.595 1.00 0.00 H new ATOM 0 HD1 PHE A 58 8.966 5.262 -1.435 1.00 0.00 H new ATOM 0 HD2 PHE A 58 13.175 4.636 -1.606 1.00 0.00 H new ATOM 0 HE1 PHE A 58 9.338 7.642 -0.953 1.00 0.00 H new ATOM 0 HE2 PHE A 58 13.550 7.015 -1.122 1.00 0.00 H new ATOM 0 HZ PHE A 58 11.631 8.523 -0.796 1.00 0.00 H new ATOM 864 N PRO A 59 10.903 1.273 -4.911 1.00 0.00 N ATOM 865 CA PRO A 59 11.123 -0.101 -5.373 1.00 0.00 C ATOM 866 C PRO A 59 12.452 -0.669 -4.889 1.00 0.00 C ATOM 867 O PRO A 59 12.771 -1.829 -5.147 1.00 0.00 O ATOM 868 CB PRO A 59 11.124 0.035 -6.899 1.00 0.00 C ATOM 869 CG PRO A 59 11.533 1.445 -7.154 1.00 0.00 C ATOM 870 CD PRO A 59 10.980 2.250 -6.010 1.00 0.00 C ATOM 0 HA PRO A 59 10.365 -0.786 -4.992 1.00 0.00 H new ATOM 0 HB2 PRO A 59 11.819 -0.668 -7.359 1.00 0.00 H new ATOM 0 HB3 PRO A 59 10.138 -0.173 -7.316 1.00 0.00 H new ATOM 0 HG2 PRO A 59 12.618 1.533 -7.205 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.139 1.799 -8.107 1.00 0.00 H new ATOM 0 HD2 PRO A 59 11.629 3.088 -5.758 1.00 0.00 H new ATOM 0 HD3 PRO A 59 10.001 2.666 -6.247 1.00 0.00 H new ATOM 878 N GLU A 60 13.222 0.155 -4.185 1.00 0.00 N ATOM 879 CA GLU A 60 14.517 -0.268 -3.665 1.00 0.00 C ATOM 880 C GLU A 60 14.413 -0.646 -2.190 1.00 0.00 C ATOM 881 O GLU A 60 15.137 -1.517 -1.707 1.00 0.00 O ATOM 882 CB GLU A 60 15.552 0.845 -3.846 1.00 0.00 C ATOM 883 CG GLU A 60 14.951 2.239 -3.857 1.00 0.00 C ATOM 884 CD GLU A 60 15.973 3.317 -3.549 1.00 0.00 C ATOM 885 OE1 GLU A 60 16.630 3.799 -4.496 1.00 0.00 O ATOM 886 OE2 GLU A 60 16.117 3.678 -2.362 1.00 0.00 O ATOM 0 H GLU A 60 12.972 1.118 -3.962 1.00 0.00 H new ATOM 0 HA GLU A 60 14.837 -1.146 -4.226 1.00 0.00 H new ATOM 0 HB2 GLU A 60 16.286 0.781 -3.042 1.00 0.00 H new ATOM 0 HB3 GLU A 60 16.088 0.682 -4.781 1.00 0.00 H new ATOM 0 HG2 GLU A 60 14.508 2.432 -4.834 1.00 0.00 H new ATOM 0 HG3 GLU A 60 14.144 2.289 -3.126 1.00 0.00 H new ATOM 893 N LYS A 61 13.508 0.018 -1.477 1.00 0.00 N ATOM 894 CA LYS A 61 13.308 -0.247 -0.058 1.00 0.00 C ATOM 895 C LYS A 61 12.128 -1.189 0.158 1.00 0.00 C ATOM 896 O LYS A 61 12.097 -1.948 1.127 1.00 0.00 O ATOM 897 CB LYS A 61 13.072 1.063 0.698 1.00 0.00 C ATOM 898 CG LYS A 61 14.116 2.128 0.407 1.00 0.00 C ATOM 899 CD LYS A 61 15.389 1.894 1.203 1.00 0.00 C ATOM 900 CE LYS A 61 15.219 2.298 2.659 1.00 0.00 C ATOM 901 NZ LYS A 61 16.530 2.514 3.331 1.00 0.00 N ATOM 0 H LYS A 61 12.902 0.744 -1.860 1.00 0.00 H new ATOM 0 HA LYS A 61 14.208 -0.725 0.327 1.00 0.00 H new ATOM 0 HB2 LYS A 61 12.087 1.451 0.438 1.00 0.00 H new ATOM 0 HB3 LYS A 61 13.062 0.859 1.769 1.00 0.00 H new ATOM 0 HG2 LYS A 61 14.347 2.130 -0.658 1.00 0.00 H new ATOM 0 HG3 LYS A 61 13.711 3.111 0.648 1.00 0.00 H new ATOM 0 HD2 LYS A 61 15.666 0.841 1.147 1.00 0.00 H new ATOM 0 HD3 LYS A 61 16.206 2.463 0.760 1.00 0.00 H new ATOM 0 HE2 LYS A 61 14.627 3.211 2.716 1.00 0.00 H new ATOM 0 HE3 LYS A 61 14.663 1.524 3.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 16.371 2.788 4.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 17.085 1.635 3.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 17.050 3.270 2.842 1.00 0.00 H new ATOM 915 N GLY A 62 11.159 -1.137 -0.751 1.00 0.00 N ATOM 916 CA GLY A 62 9.992 -1.993 -0.641 1.00 0.00 C ATOM 917 C GLY A 62 8.831 -1.303 0.047 1.00 0.00 C ATOM 918 O GLY A 62 8.118 -1.917 0.841 1.00 0.00 O ATOM 0 H GLY A 62 11.161 -0.518 -1.561 1.00 0.00 H new ATOM 0 HA2 GLY A 62 9.683 -2.311 -1.637 1.00 0.00 H new ATOM 0 HA3 GLY A 62 10.256 -2.893 -0.086 1.00 0.00 H new ATOM 922 N TYR A 63 8.641 -0.024 -0.256 1.00 0.00 N ATOM 923 CA TYR A 63 7.561 0.752 0.343 1.00 0.00 C ATOM 924 C TYR A 63 7.233 1.976 -0.508 1.00 0.00 C ATOM 925 O TYR A 63 7.943 2.291 -1.461 1.00 0.00 O ATOM 926 CB TYR A 63 7.941 1.187 1.759 1.00 0.00 C ATOM 927 CG TYR A 63 8.900 2.356 1.796 1.00 0.00 C ATOM 928 CD1 TYR A 63 8.443 3.659 1.644 1.00 0.00 C ATOM 929 CD2 TYR A 63 10.262 2.157 1.982 1.00 0.00 C ATOM 930 CE1 TYR A 63 9.315 4.730 1.677 1.00 0.00 C ATOM 931 CE2 TYR A 63 11.142 3.221 2.018 1.00 0.00 C ATOM 932 CZ TYR A 63 10.663 4.506 1.865 1.00 0.00 C ATOM 933 OH TYR A 63 11.535 5.569 1.898 1.00 0.00 O ATOM 0 H TYR A 63 9.221 0.498 -0.913 1.00 0.00 H new ATOM 0 HA TYR A 63 6.676 0.118 0.391 1.00 0.00 H new ATOM 0 HB2 TYR A 63 7.035 1.453 2.304 1.00 0.00 H new ATOM 0 HB3 TYR A 63 8.390 0.342 2.281 1.00 0.00 H new ATOM 0 HD1 TYR A 63 7.388 3.838 1.498 1.00 0.00 H new ATOM 0 HD2 TYR A 63 10.640 1.152 2.101 1.00 0.00 H new ATOM 0 HE1 TYR A 63 8.943 5.737 1.556 1.00 0.00 H new ATOM 0 HE2 TYR A 63 12.198 3.048 2.165 1.00 0.00 H new ATOM 0 HH TYR A 63 11.756 5.839 0.982 1.00 0.00 H new ATOM 943 N SER A 64 6.152 2.662 -0.151 1.00 0.00 N ATOM 944 CA SER A 64 5.727 3.851 -0.881 1.00 0.00 C ATOM 945 C SER A 64 5.076 4.862 0.057 1.00 0.00 C ATOM 946 O SER A 64 4.881 4.590 1.242 1.00 0.00 O ATOM 947 CB SER A 64 4.749 3.468 -1.995 1.00 0.00 C ATOM 948 OG SER A 64 4.191 4.621 -2.601 1.00 0.00 O ATOM 0 H SER A 64 5.555 2.415 0.638 1.00 0.00 H new ATOM 0 HA SER A 64 6.611 4.310 -1.324 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.265 2.871 -2.747 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.952 2.846 -1.586 1.00 0.00 H new ATOM 0 HG SER A 64 3.243 4.690 -2.362 1.00 0.00 H new ATOM 954 N PHE A 65 4.742 6.030 -0.480 1.00 0.00 N ATOM 955 CA PHE A 65 4.113 7.083 0.308 1.00 0.00 C ATOM 956 C PHE A 65 2.913 7.671 -0.429 1.00 0.00 C ATOM 957 O PHE A 65 2.946 7.856 -1.645 1.00 0.00 O ATOM 958 CB PHE A 65 5.125 8.188 0.621 1.00 0.00 C ATOM 959 CG PHE A 65 5.894 7.953 1.890 1.00 0.00 C ATOM 960 CD1 PHE A 65 5.233 7.799 3.098 1.00 0.00 C ATOM 961 CD2 PHE A 65 7.278 7.888 1.875 1.00 0.00 C ATOM 962 CE1 PHE A 65 5.938 7.585 4.267 1.00 0.00 C ATOM 963 CE2 PHE A 65 7.988 7.673 3.041 1.00 0.00 C ATOM 964 CZ PHE A 65 7.318 7.521 4.238 1.00 0.00 C ATOM 0 H PHE A 65 4.897 6.272 -1.459 1.00 0.00 H new ATOM 0 HA PHE A 65 3.764 6.644 1.242 1.00 0.00 H new ATOM 0 HB2 PHE A 65 5.826 8.274 -0.209 1.00 0.00 H new ATOM 0 HB3 PHE A 65 4.600 9.141 0.694 1.00 0.00 H new ATOM 0 HD1 PHE A 65 4.154 7.847 3.126 1.00 0.00 H new ATOM 0 HD2 PHE A 65 7.808 8.007 0.941 1.00 0.00 H new ATOM 0 HE1 PHE A 65 5.411 7.468 5.202 1.00 0.00 H new ATOM 0 HE2 PHE A 65 9.067 7.624 3.016 1.00 0.00 H new ATOM 0 HZ PHE A 65 7.871 7.352 5.150 1.00 0.00 H new ATOM 974 N VAL A 66 1.853 7.963 0.319 1.00 0.00 N ATOM 975 CA VAL A 66 0.641 8.530 -0.261 1.00 0.00 C ATOM 976 C VAL A 66 -0.067 9.445 0.731 1.00 0.00 C ATOM 977 O VAL A 66 -0.559 8.993 1.766 1.00 0.00 O ATOM 978 CB VAL A 66 -0.334 7.427 -0.713 1.00 0.00 C ATOM 979 CG1 VAL A 66 -1.550 8.036 -1.394 1.00 0.00 C ATOM 980 CG2 VAL A 66 0.367 6.442 -1.635 1.00 0.00 C ATOM 0 H VAL A 66 1.809 7.816 1.327 1.00 0.00 H new ATOM 0 HA VAL A 66 0.948 9.111 -1.131 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.675 6.884 0.168 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.228 7.242 -1.707 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.064 8.698 -0.697 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.231 8.605 -2.267 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.337 5.669 -1.945 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.739 6.968 -2.514 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.202 5.981 -1.108 1.00 0.00 H new ATOM 990 N ARG A 67 -0.116 10.733 0.410 1.00 0.00 N ATOM 991 CA ARG A 67 -0.763 11.713 1.273 1.00 0.00 C ATOM 992 C ARG A 67 -2.120 12.124 0.708 1.00 0.00 C ATOM 993 O ARG A 67 -2.227 12.507 -0.457 1.00 0.00 O ATOM 994 CB ARG A 67 0.127 12.946 1.441 1.00 0.00 C ATOM 995 CG ARG A 67 1.051 12.872 2.646 1.00 0.00 C ATOM 996 CD ARG A 67 2.480 12.556 2.233 1.00 0.00 C ATOM 997 NE ARG A 67 3.456 13.160 3.136 1.00 0.00 N ATOM 998 CZ ARG A 67 3.887 14.412 3.022 1.00 0.00 C ATOM 999 NH1 ARG A 67 3.429 15.187 2.048 1.00 0.00 N ATOM 1000 NH2 ARG A 67 4.776 14.890 3.882 1.00 0.00 N ATOM 0 H ARG A 67 0.285 11.123 -0.443 1.00 0.00 H new ATOM 0 HA ARG A 67 -0.919 11.252 2.248 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.728 13.075 0.541 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.505 13.830 1.532 1.00 0.00 H new ATOM 0 HG2 ARG A 67 1.027 13.820 3.183 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.692 12.107 3.335 1.00 0.00 H new ATOM 0 HD2 ARG A 67 2.622 11.475 2.216 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.653 12.916 1.219 1.00 0.00 H new ATOM 0 HE ARG A 67 3.827 12.590 3.896 1.00 0.00 H new ATOM 0 HH11 ARG A 67 2.745 14.822 1.385 1.00 0.00 H new ATOM 0 HH12 ARG A 67 3.761 16.148 1.962 1.00 0.00 H new ATOM 0 HH21 ARG A 67 5.130 14.297 4.632 1.00 0.00 H new ATOM 0 HH22 ARG A 67 5.106 15.851 3.793 1.00 0.00 H new ATOM 1014 N PHE A 68 -3.152 12.042 1.541 1.00 0.00 N ATOM 1015 CA PHE A 68 -4.501 12.403 1.124 1.00 0.00 C ATOM 1016 C PHE A 68 -4.859 13.808 1.599 1.00 0.00 C ATOM 1017 O PHE A 68 -4.402 14.254 2.652 1.00 0.00 O ATOM 1018 CB PHE A 68 -5.514 11.395 1.669 1.00 0.00 C ATOM 1019 CG PHE A 68 -5.478 10.069 0.964 1.00 0.00 C ATOM 1020 CD1 PHE A 68 -4.486 9.144 1.248 1.00 0.00 C ATOM 1021 CD2 PHE A 68 -6.437 9.746 0.017 1.00 0.00 C ATOM 1022 CE1 PHE A 68 -4.449 7.923 0.602 1.00 0.00 C ATOM 1023 CE2 PHE A 68 -6.407 8.526 -0.632 1.00 0.00 C ATOM 1024 CZ PHE A 68 -5.411 7.614 -0.340 1.00 0.00 C ATOM 0 H PHE A 68 -3.079 11.729 2.509 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.534 12.387 0.035 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.324 11.238 2.731 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -6.516 11.816 1.583 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.732 9.381 1.984 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -7.217 10.456 -0.217 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.670 7.212 0.833 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -7.161 8.286 -1.367 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.385 6.661 -0.847 1.00 0.00 H new ATOM 1034 N SER A 69 -5.680 14.501 0.816 1.00 0.00 N ATOM 1035 CA SER A 69 -6.097 15.856 1.154 1.00 0.00 C ATOM 1036 C SER A 69 -6.949 15.864 2.420 1.00 0.00 C ATOM 1037 O SER A 69 -7.181 16.913 3.021 1.00 0.00 O ATOM 1038 CB SER A 69 -6.881 16.476 -0.005 1.00 0.00 C ATOM 1039 OG SER A 69 -7.825 17.420 0.466 1.00 0.00 O ATOM 0 H SER A 69 -6.069 14.146 -0.057 1.00 0.00 H new ATOM 0 HA SER A 69 -5.201 16.449 1.336 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.192 16.960 -0.697 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.393 15.692 -0.562 1.00 0.00 H new ATOM 0 HG SER A 69 -8.312 17.803 -0.294 1.00 0.00 H new ATOM 1045 N THR A 70 -7.412 14.684 2.821 1.00 0.00 N ATOM 1046 CA THR A 70 -8.239 14.552 4.014 1.00 0.00 C ATOM 1047 C THR A 70 -7.861 13.309 4.810 1.00 0.00 C ATOM 1048 O THR A 70 -7.331 12.344 4.259 1.00 0.00 O ATOM 1049 CB THR A 70 -9.735 14.485 3.656 1.00 0.00 C ATOM 1050 OG1 THR A 70 -9.995 13.323 2.860 1.00 0.00 O ATOM 1051 CG2 THR A 70 -10.167 15.732 2.900 1.00 0.00 C ATOM 0 H THR A 70 -7.228 13.805 2.336 1.00 0.00 H new ATOM 0 HA THR A 70 -8.059 15.438 4.623 1.00 0.00 H new ATOM 0 HB THR A 70 -10.306 14.426 4.582 1.00 0.00 H new ATOM 0 HG1 THR A 70 -10.949 13.286 2.637 1.00 0.00 H new ATOM 0 HG21 THR A 70 -11.227 15.662 2.658 1.00 0.00 H new ATOM 0 HG22 THR A 70 -9.994 16.612 3.520 1.00 0.00 H new ATOM 0 HG23 THR A 70 -9.590 15.818 1.979 1.00 0.00 H new ATOM 1059 N HIS A 71 -8.138 13.337 6.110 1.00 0.00 N ATOM 1060 CA HIS A 71 -7.829 12.209 6.982 1.00 0.00 C ATOM 1061 C HIS A 71 -8.843 11.084 6.796 1.00 0.00 C ATOM 1062 O HIS A 71 -8.509 9.908 6.931 1.00 0.00 O ATOM 1063 CB HIS A 71 -7.810 12.659 8.443 1.00 0.00 C ATOM 1064 CG HIS A 71 -6.973 11.786 9.328 1.00 0.00 C ATOM 1065 ND1 HIS A 71 -5.601 11.895 9.410 1.00 0.00 N ATOM 1066 CD2 HIS A 71 -7.322 10.788 10.172 1.00 0.00 C ATOM 1067 CE1 HIS A 71 -5.141 11.000 10.265 1.00 0.00 C ATOM 1068 NE2 HIS A 71 -6.164 10.315 10.742 1.00 0.00 N ATOM 0 H HIS A 71 -8.576 14.128 6.583 1.00 0.00 H new ATOM 0 HA HIS A 71 -6.842 11.832 6.713 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -7.435 13.681 8.495 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -8.831 12.675 8.823 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -5.030 12.563 8.891 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -8.323 10.430 10.362 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -4.104 10.853 10.529 1.00 0.00 H new ATOM 1076 N GLU A 72 -10.081 11.455 6.487 1.00 0.00 N ATOM 1077 CA GLU A 72 -11.143 10.476 6.285 1.00 0.00 C ATOM 1078 C GLU A 72 -10.817 9.555 5.113 1.00 0.00 C ATOM 1079 O GLU A 72 -11.014 8.342 5.189 1.00 0.00 O ATOM 1080 CB GLU A 72 -12.477 11.182 6.036 1.00 0.00 C ATOM 1081 CG GLU A 72 -13.087 11.790 7.288 1.00 0.00 C ATOM 1082 CD GLU A 72 -14.001 12.960 6.983 1.00 0.00 C ATOM 1083 OE1 GLU A 72 -13.549 13.907 6.307 1.00 0.00 O ATOM 1084 OE2 GLU A 72 -15.172 12.928 7.421 1.00 0.00 O ATOM 0 H GLU A 72 -10.373 12.425 6.371 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.223 9.872 7.189 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -12.330 11.968 5.295 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -13.182 10.469 5.608 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -13.649 11.024 7.822 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -12.289 12.121 7.952 1.00 0.00 H new ATOM 1091 N SER A 73 -10.318 10.139 4.029 1.00 0.00 N ATOM 1092 CA SER A 73 -9.969 9.373 2.838 1.00 0.00 C ATOM 1093 C SER A 73 -8.887 8.343 3.154 1.00 0.00 C ATOM 1094 O SER A 73 -9.032 7.160 2.845 1.00 0.00 O ATOM 1095 CB SER A 73 -9.490 10.308 1.726 1.00 0.00 C ATOM 1096 OG SER A 73 -10.586 10.853 1.012 1.00 0.00 O ATOM 0 H SER A 73 -10.146 11.141 3.950 1.00 0.00 H new ATOM 0 HA SER A 73 -10.861 8.846 2.500 1.00 0.00 H new ATOM 0 HB2 SER A 73 -8.894 11.114 2.155 1.00 0.00 H new ATOM 0 HB3 SER A 73 -8.841 9.762 1.041 1.00 0.00 H new ATOM 0 HG SER A 73 -10.755 11.768 1.321 1.00 0.00 H new ATOM 1102 N ALA A 74 -7.804 8.803 3.771 1.00 0.00 N ATOM 1103 CA ALA A 74 -6.699 7.923 4.130 1.00 0.00 C ATOM 1104 C ALA A 74 -7.183 6.751 4.977 1.00 0.00 C ATOM 1105 O ALA A 74 -6.976 5.591 4.622 1.00 0.00 O ATOM 1106 CB ALA A 74 -5.623 8.703 4.872 1.00 0.00 C ATOM 0 H ALA A 74 -7.668 9.779 4.033 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.273 7.522 3.210 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.804 8.034 5.134 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.248 9.503 4.234 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.046 9.132 5.780 1.00 0.00 H new ATOM 1112 N ALA A 75 -7.828 7.062 6.096 1.00 0.00 N ATOM 1113 CA ALA A 75 -8.342 6.033 6.992 1.00 0.00 C ATOM 1114 C ALA A 75 -9.137 4.984 6.223 1.00 0.00 C ATOM 1115 O ALA A 75 -9.032 3.787 6.496 1.00 0.00 O ATOM 1116 CB ALA A 75 -9.204 6.661 8.077 1.00 0.00 C ATOM 0 H ALA A 75 -8.007 8.018 6.404 1.00 0.00 H new ATOM 0 HA ALA A 75 -7.493 5.536 7.461 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -9.581 5.881 8.739 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.607 7.368 8.653 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.043 7.184 7.618 1.00 0.00 H new ATOM 1122 N HIS A 76 -9.934 5.439 5.261 1.00 0.00 N ATOM 1123 CA HIS A 76 -10.748 4.538 4.452 1.00 0.00 C ATOM 1124 C HIS A 76 -9.871 3.538 3.704 1.00 0.00 C ATOM 1125 O HIS A 76 -10.200 2.355 3.613 1.00 0.00 O ATOM 1126 CB HIS A 76 -11.594 5.334 3.459 1.00 0.00 C ATOM 1127 CG HIS A 76 -12.729 6.073 4.098 1.00 0.00 C ATOM 1128 ND1 HIS A 76 -13.088 7.377 4.027 1.00 0.00 N flip ATOM 1129 CD2 HIS A 76 -13.650 5.469 4.927 1.00 0.00 C flip ATOM 1130 CE1 HIS A 76 -14.209 7.534 4.806 1.00 0.00 C flip ATOM 1131 NE2 HIS A 76 -14.527 6.367 5.337 1.00 0.00 N flip ATOM 0 H HIS A 76 -10.034 6.426 5.023 1.00 0.00 H new ATOM 0 HA HIS A 76 -11.409 3.986 5.120 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -10.954 6.047 2.938 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -11.992 4.654 2.706 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -13.654 4.424 5.199 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -14.743 8.460 4.959 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -15.316 6.190 5.958 1.00 0.00 H new ATOM 1139 N ALA A 77 -8.754 4.021 3.169 1.00 0.00 N ATOM 1140 CA ALA A 77 -7.830 3.170 2.430 1.00 0.00 C ATOM 1141 C ALA A 77 -7.021 2.288 3.375 1.00 0.00 C ATOM 1142 O ALA A 77 -6.722 1.136 3.060 1.00 0.00 O ATOM 1143 CB ALA A 77 -6.902 4.018 1.573 1.00 0.00 C ATOM 0 H ALA A 77 -8.467 4.998 3.234 1.00 0.00 H new ATOM 0 HA ALA A 77 -8.415 2.520 1.779 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.217 3.369 1.027 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.492 4.601 0.866 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.331 4.692 2.212 1.00 0.00 H new ATOM 1149 N ILE A 78 -6.669 2.836 4.533 1.00 0.00 N ATOM 1150 CA ILE A 78 -5.895 2.098 5.524 1.00 0.00 C ATOM 1151 C ILE A 78 -6.705 0.948 6.110 1.00 0.00 C ATOM 1152 O ILE A 78 -6.286 -0.209 6.064 1.00 0.00 O ATOM 1153 CB ILE A 78 -5.424 3.015 6.668 1.00 0.00 C ATOM 1154 CG1 ILE A 78 -4.564 4.155 6.118 1.00 0.00 C ATOM 1155 CG2 ILE A 78 -4.652 2.214 7.705 1.00 0.00 C ATOM 1156 CD1 ILE A 78 -4.267 5.234 7.136 1.00 0.00 C ATOM 0 H ILE A 78 -6.907 3.789 4.808 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.022 1.698 5.008 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.300 3.448 7.150 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -3.623 3.745 5.751 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -5.072 4.603 5.264 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -4.326 2.876 8.507 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.295 1.436 8.116 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.781 1.756 7.236 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -3.654 6.009 6.676 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -5.202 5.671 7.486 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -3.731 4.800 7.980 1.00 0.00 H new ATOM 1168 N VAL A 79 -7.872 1.273 6.659 1.00 0.00 N ATOM 1169 CA VAL A 79 -8.744 0.266 7.253 1.00 0.00 C ATOM 1170 C VAL A 79 -8.931 -0.920 6.313 1.00 0.00 C ATOM 1171 O VAL A 79 -9.000 -2.069 6.752 1.00 0.00 O ATOM 1172 CB VAL A 79 -10.123 0.854 7.601 1.00 0.00 C ATOM 1173 CG1 VAL A 79 -10.036 1.715 8.852 1.00 0.00 C ATOM 1174 CG2 VAL A 79 -10.672 1.655 6.430 1.00 0.00 C ATOM 0 H VAL A 79 -8.235 2.225 6.705 1.00 0.00 H new ATOM 0 HA VAL A 79 -8.261 -0.073 8.169 1.00 0.00 H new ATOM 0 HB VAL A 79 -10.809 0.031 7.802 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -11.020 2.122 9.083 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -9.689 1.108 9.688 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -9.336 2.533 8.683 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -11.648 2.063 6.694 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -9.989 2.471 6.195 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.774 1.005 5.561 1.00 0.00 H new ATOM 1184 N SER A 80 -9.014 -0.636 5.017 1.00 0.00 N ATOM 1185 CA SER A 80 -9.196 -1.678 4.015 1.00 0.00 C ATOM 1186 C SER A 80 -7.853 -2.248 3.573 1.00 0.00 C ATOM 1187 O SER A 80 -7.512 -3.387 3.895 1.00 0.00 O ATOM 1188 CB SER A 80 -9.952 -1.125 2.805 1.00 0.00 C ATOM 1189 OG SER A 80 -11.296 -1.576 2.792 1.00 0.00 O ATOM 0 H SER A 80 -8.958 0.309 4.637 1.00 0.00 H new ATOM 0 HA SER A 80 -9.781 -2.481 4.464 1.00 0.00 H new ATOM 0 HB2 SER A 80 -9.931 -0.035 2.826 1.00 0.00 H new ATOM 0 HB3 SER A 80 -9.452 -1.435 1.887 1.00 0.00 H new ATOM 0 HG SER A 80 -11.757 -1.207 2.010 1.00 0.00 H new ATOM 1195 N VAL A 81 -7.093 -1.449 2.831 1.00 0.00 N ATOM 1196 CA VAL A 81 -5.785 -1.873 2.344 1.00 0.00 C ATOM 1197 C VAL A 81 -5.014 -2.623 3.424 1.00 0.00 C ATOM 1198 O VAL A 81 -4.429 -3.674 3.165 1.00 0.00 O ATOM 1199 CB VAL A 81 -4.947 -0.670 1.871 1.00 0.00 C ATOM 1200 CG1 VAL A 81 -3.575 -1.129 1.400 1.00 0.00 C ATOM 1201 CG2 VAL A 81 -5.673 0.085 0.768 1.00 0.00 C ATOM 0 H VAL A 81 -7.360 -0.504 2.554 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.961 -2.539 1.499 1.00 0.00 H new ATOM 0 HB VAL A 81 -4.809 0.008 2.713 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.996 -0.266 1.069 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.055 -1.622 2.221 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.690 -1.828 0.572 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.066 0.931 0.446 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.844 -0.581 -0.078 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.630 0.447 1.144 1.00 0.00 H new ATOM 1211 N ASN A 82 -5.017 -2.076 4.635 1.00 0.00 N ATOM 1212 CA ASN A 82 -4.317 -2.695 5.756 1.00 0.00 C ATOM 1213 C ASN A 82 -4.732 -4.154 5.917 1.00 0.00 C ATOM 1214 O ASN A 82 -5.707 -4.461 6.601 1.00 0.00 O ATOM 1215 CB ASN A 82 -4.601 -1.926 7.048 1.00 0.00 C ATOM 1216 CG ASN A 82 -3.823 -2.473 8.228 1.00 0.00 C ATOM 1217 OD1 ASN A 82 -3.408 -3.633 8.229 1.00 0.00 O ATOM 1218 ND2 ASN A 82 -3.622 -1.640 9.242 1.00 0.00 N ATOM 0 H ASN A 82 -5.496 -1.206 4.866 1.00 0.00 H new ATOM 0 HA ASN A 82 -3.247 -2.661 5.549 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -4.349 -0.875 6.905 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -5.668 -1.971 7.267 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -3.106 -1.953 10.064 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -3.984 -0.687 9.199 1.00 0.00 H new ATOM 1225 N GLY A 83 -3.982 -5.050 5.282 1.00 0.00 N ATOM 1226 CA GLY A 83 -4.288 -6.466 5.368 1.00 0.00 C ATOM 1227 C GLY A 83 -4.705 -7.051 4.034 1.00 0.00 C ATOM 1228 O GLY A 83 -5.236 -8.161 3.973 1.00 0.00 O ATOM 0 H GLY A 83 -3.169 -4.821 4.710 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.414 -7.002 5.739 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.087 -6.618 6.094 1.00 0.00 H new ATOM 1232 N THR A 84 -4.467 -6.303 2.961 1.00 0.00 N ATOM 1233 CA THR A 84 -4.825 -6.753 1.621 1.00 0.00 C ATOM 1234 C THR A 84 -3.625 -7.364 0.908 1.00 0.00 C ATOM 1235 O THR A 84 -2.486 -7.228 1.356 1.00 0.00 O ATOM 1236 CB THR A 84 -5.380 -5.596 0.770 1.00 0.00 C ATOM 1237 OG1 THR A 84 -4.383 -4.581 0.613 1.00 0.00 O ATOM 1238 CG2 THR A 84 -6.623 -4.998 1.413 1.00 0.00 C ATOM 0 H THR A 84 -4.028 -5.383 2.994 1.00 0.00 H new ATOM 0 HA THR A 84 -5.599 -7.511 1.738 1.00 0.00 H new ATOM 0 HB THR A 84 -5.652 -5.992 -0.208 1.00 0.00 H new ATOM 0 HG1 THR A 84 -4.308 -4.065 1.443 1.00 0.00 H new ATOM 0 HG21 THR A 84 -6.997 -4.183 0.794 1.00 0.00 H new ATOM 0 HG22 THR A 84 -7.391 -5.766 1.504 1.00 0.00 H new ATOM 0 HG23 THR A 84 -6.373 -4.616 2.403 1.00 0.00 H new ATOM 1246 N THR A 85 -3.886 -8.037 -0.210 1.00 0.00 N ATOM 1247 CA THR A 85 -2.826 -8.669 -0.986 1.00 0.00 C ATOM 1248 C THR A 85 -2.802 -8.140 -2.415 1.00 0.00 C ATOM 1249 O THR A 85 -3.676 -8.462 -3.221 1.00 0.00 O ATOM 1250 CB THR A 85 -2.991 -10.199 -1.019 1.00 0.00 C ATOM 1251 OG1 THR A 85 -3.185 -10.700 0.308 1.00 0.00 O ATOM 1252 CG2 THR A 85 -1.773 -10.862 -1.645 1.00 0.00 C ATOM 0 H THR A 85 -4.822 -8.158 -0.597 1.00 0.00 H new ATOM 0 HA THR A 85 -1.884 -8.424 -0.495 1.00 0.00 H new ATOM 0 HB THR A 85 -3.865 -10.435 -1.627 1.00 0.00 H new ATOM 0 HG1 THR A 85 -3.291 -11.674 0.278 1.00 0.00 H new ATOM 0 HG21 THR A 85 -1.913 -11.943 -1.657 1.00 0.00 H new ATOM 0 HG22 THR A 85 -1.647 -10.501 -2.666 1.00 0.00 H new ATOM 0 HG23 THR A 85 -0.885 -10.618 -1.061 1.00 0.00 H new ATOM 1260 N ILE A 86 -1.797 -7.328 -2.724 1.00 0.00 N ATOM 1261 CA ILE A 86 -1.658 -6.757 -4.058 1.00 0.00 C ATOM 1262 C ILE A 86 -0.556 -7.457 -4.845 1.00 0.00 C ATOM 1263 O ILE A 86 0.618 -7.379 -4.488 1.00 0.00 O ATOM 1264 CB ILE A 86 -1.352 -5.249 -3.996 1.00 0.00 C ATOM 1265 CG1 ILE A 86 -2.525 -4.493 -3.371 1.00 0.00 C ATOM 1266 CG2 ILE A 86 -1.049 -4.713 -5.387 1.00 0.00 C ATOM 1267 CD1 ILE A 86 -2.532 -3.015 -3.693 1.00 0.00 C ATOM 0 H ILE A 86 -1.067 -7.050 -2.068 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.612 -6.905 -4.565 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.473 -5.097 -3.370 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -3.458 -4.936 -3.718 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.494 -4.621 -2.289 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.835 -3.646 -5.327 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.184 -5.234 -5.797 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.911 -4.874 -6.035 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -3.391 -2.543 -3.217 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.615 -2.557 -3.322 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.595 -2.878 -4.773 1.00 0.00 H new ATOM 1279 N GLU A 87 -0.944 -8.140 -5.918 1.00 0.00 N ATOM 1280 CA GLU A 87 0.013 -8.854 -6.755 1.00 0.00 C ATOM 1281 C GLU A 87 0.749 -9.923 -5.952 1.00 0.00 C ATOM 1282 O GLU A 87 1.950 -10.126 -6.121 1.00 0.00 O ATOM 1283 CB GLU A 87 1.020 -7.876 -7.364 1.00 0.00 C ATOM 1284 CG GLU A 87 0.402 -6.905 -8.356 1.00 0.00 C ATOM 1285 CD GLU A 87 0.241 -7.507 -9.738 1.00 0.00 C ATOM 1286 OE1 GLU A 87 0.011 -8.730 -9.831 1.00 0.00 O ATOM 1287 OE2 GLU A 87 0.348 -6.753 -10.729 1.00 0.00 O ATOM 0 H GLU A 87 -1.913 -8.214 -6.228 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.540 -9.343 -7.557 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.495 -7.310 -6.562 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.806 -8.442 -7.864 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -0.573 -6.586 -7.987 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.025 -6.013 -8.423 1.00 0.00 H new ATOM 1294 N GLY A 88 0.016 -10.605 -5.076 1.00 0.00 N ATOM 1295 CA GLY A 88 0.615 -11.645 -4.258 1.00 0.00 C ATOM 1296 C GLY A 88 1.548 -11.087 -3.202 1.00 0.00 C ATOM 1297 O GLY A 88 2.349 -11.820 -2.622 1.00 0.00 O ATOM 0 H GLY A 88 -0.981 -10.456 -4.918 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -0.173 -12.221 -3.774 1.00 0.00 H new ATOM 0 HA3 GLY A 88 1.166 -12.334 -4.898 1.00 0.00 H new ATOM 1301 N HIS A 89 1.447 -9.784 -2.953 1.00 0.00 N ATOM 1302 CA HIS A 89 2.290 -9.128 -1.960 1.00 0.00 C ATOM 1303 C HIS A 89 1.440 -8.424 -0.906 1.00 0.00 C ATOM 1304 O HIS A 89 0.640 -7.544 -1.224 1.00 0.00 O ATOM 1305 CB HIS A 89 3.221 -8.121 -2.637 1.00 0.00 C ATOM 1306 CG HIS A 89 4.265 -8.758 -3.501 1.00 0.00 C ATOM 1307 ND1 HIS A 89 5.346 -9.447 -2.992 1.00 0.00 N ATOM 1308 CD2 HIS A 89 4.388 -8.809 -4.848 1.00 0.00 C ATOM 1309 CE1 HIS A 89 6.090 -9.892 -3.989 1.00 0.00 C ATOM 1310 NE2 HIS A 89 5.530 -9.519 -5.126 1.00 0.00 N ATOM 0 H HIS A 89 0.790 -9.163 -3.425 1.00 0.00 H new ATOM 0 HA HIS A 89 2.890 -9.892 -1.466 1.00 0.00 H new ATOM 0 HB2 HIS A 89 2.625 -7.439 -3.244 1.00 0.00 H new ATOM 0 HB3 HIS A 89 3.712 -7.520 -1.871 1.00 0.00 H new ATOM 0 HD2 HIS A 89 3.714 -8.373 -5.570 1.00 0.00 H new ATOM 0 HE1 HIS A 89 7.001 -10.464 -3.891 1.00 0.00 H new ATOM 0 HE2 HIS A 89 5.888 -9.725 -6.059 1.00 0.00 H new ATOM 1318 N VAL A 90 1.617 -8.821 0.350 1.00 0.00 N ATOM 1319 CA VAL A 90 0.868 -8.228 1.452 1.00 0.00 C ATOM 1320 C VAL A 90 1.249 -6.765 1.651 1.00 0.00 C ATOM 1321 O VAL A 90 2.373 -6.453 2.043 1.00 0.00 O ATOM 1322 CB VAL A 90 1.104 -8.994 2.767 1.00 0.00 C ATOM 1323 CG1 VAL A 90 2.575 -8.949 3.154 1.00 0.00 C ATOM 1324 CG2 VAL A 90 0.235 -8.424 3.878 1.00 0.00 C ATOM 0 H VAL A 90 2.272 -9.551 0.630 1.00 0.00 H new ATOM 0 HA VAL A 90 -0.188 -8.292 1.189 1.00 0.00 H new ATOM 0 HB VAL A 90 0.824 -10.037 2.616 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.723 -9.495 4.086 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.173 -9.407 2.366 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.884 -7.912 3.288 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.414 -8.977 4.800 1.00 0.00 H new ATOM 0 HG22 VAL A 90 0.482 -7.374 4.031 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.815 -8.513 3.600 1.00 0.00 H new ATOM 1334 N VAL A 91 0.303 -5.871 1.380 1.00 0.00 N ATOM 1335 CA VAL A 91 0.539 -4.440 1.531 1.00 0.00 C ATOM 1336 C VAL A 91 0.294 -3.992 2.968 1.00 0.00 C ATOM 1337 O VAL A 91 -0.587 -4.515 3.652 1.00 0.00 O ATOM 1338 CB VAL A 91 -0.363 -3.620 0.589 1.00 0.00 C ATOM 1339 CG1 VAL A 91 -0.017 -3.909 -0.864 1.00 0.00 C ATOM 1340 CG2 VAL A 91 -1.829 -3.914 0.865 1.00 0.00 C ATOM 0 H VAL A 91 -0.633 -6.112 1.055 1.00 0.00 H new ATOM 0 HA VAL A 91 1.582 -4.262 1.270 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.188 -2.561 0.777 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.664 -3.322 -1.516 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.024 -3.643 -1.050 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.163 -4.970 -1.069 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.451 -3.326 0.190 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.024 -4.975 0.706 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.065 -3.652 1.897 1.00 0.00 H new ATOM 1350 N LYS A 92 1.077 -3.019 3.420 1.00 0.00 N ATOM 1351 CA LYS A 92 0.945 -2.497 4.775 1.00 0.00 C ATOM 1352 C LYS A 92 0.571 -1.019 4.755 1.00 0.00 C ATOM 1353 O LYS A 92 1.359 -0.175 4.326 1.00 0.00 O ATOM 1354 CB LYS A 92 2.251 -2.693 5.548 1.00 0.00 C ATOM 1355 CG LYS A 92 2.108 -3.587 6.768 1.00 0.00 C ATOM 1356 CD LYS A 92 3.462 -4.037 7.291 1.00 0.00 C ATOM 1357 CE LYS A 92 3.512 -5.545 7.485 1.00 0.00 C ATOM 1358 NZ LYS A 92 4.625 -5.952 8.387 1.00 0.00 N ATOM 0 H LYS A 92 1.811 -2.575 2.867 1.00 0.00 H new ATOM 0 HA LYS A 92 0.148 -3.048 5.274 1.00 0.00 H new ATOM 0 HB2 LYS A 92 2.998 -3.121 4.880 1.00 0.00 H new ATOM 0 HB3 LYS A 92 2.626 -1.719 5.863 1.00 0.00 H new ATOM 0 HG2 LYS A 92 1.574 -3.051 7.552 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.507 -4.460 6.512 1.00 0.00 H new ATOM 0 HD2 LYS A 92 4.242 -3.733 6.593 1.00 0.00 H new ATOM 0 HD3 LYS A 92 3.671 -3.540 8.238 1.00 0.00 H new ATOM 0 HE2 LYS A 92 2.564 -5.889 7.899 1.00 0.00 H new ATOM 0 HE3 LYS A 92 3.632 -6.032 6.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 4.625 -6.987 8.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 5.532 -5.646 7.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 4.497 -5.508 9.319 1.00 0.00 H new ATOM 1372 N CYS A 93 -0.634 -0.712 5.223 1.00 0.00 N ATOM 1373 CA CYS A 93 -1.111 0.666 5.259 1.00 0.00 C ATOM 1374 C CYS A 93 -0.965 1.256 6.658 1.00 0.00 C ATOM 1375 O CYS A 93 -1.583 0.782 7.611 1.00 0.00 O ATOM 1376 CB CYS A 93 -2.574 0.732 4.815 1.00 0.00 C ATOM 1377 SG CYS A 93 -2.836 1.634 3.270 1.00 0.00 S ATOM 0 H CYS A 93 -1.298 -1.398 5.582 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.502 1.253 4.572 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -2.954 -0.283 4.700 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -3.161 1.204 5.603 1.00 0.00 H new ATOM 0 HG CYS A 93 -3.628 2.642 3.485 1.00 0.00 H new ATOM 1383 N TYR A 94 -0.141 2.292 6.773 1.00 0.00 N ATOM 1384 CA TYR A 94 0.091 2.943 8.057 1.00 0.00 C ATOM 1385 C TYR A 94 -0.034 4.459 7.928 1.00 0.00 C ATOM 1386 O TYR A 94 -0.318 4.980 6.849 1.00 0.00 O ATOM 1387 CB TYR A 94 1.475 2.578 8.595 1.00 0.00 C ATOM 1388 CG TYR A 94 1.637 1.106 8.900 1.00 0.00 C ATOM 1389 CD1 TYR A 94 0.712 0.432 9.687 1.00 0.00 C ATOM 1390 CD2 TYR A 94 2.716 0.387 8.398 1.00 0.00 C ATOM 1391 CE1 TYR A 94 0.856 -0.911 9.968 1.00 0.00 C ATOM 1392 CE2 TYR A 94 2.869 -0.958 8.672 1.00 0.00 C ATOM 1393 CZ TYR A 94 1.936 -1.603 9.458 1.00 0.00 C ATOM 1394 OH TYR A 94 2.083 -2.943 9.734 1.00 0.00 O ATOM 0 H TYR A 94 0.377 2.698 5.994 1.00 0.00 H new ATOM 0 HA TYR A 94 -0.667 2.592 8.757 1.00 0.00 H new ATOM 0 HB2 TYR A 94 2.229 2.874 7.866 1.00 0.00 H new ATOM 0 HB3 TYR A 94 1.666 3.152 9.502 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -0.136 0.969 10.086 1.00 0.00 H new ATOM 0 HD2 TYR A 94 3.448 0.889 7.783 1.00 0.00 H new ATOM 0 HE1 TYR A 94 0.128 -1.418 10.584 1.00 0.00 H new ATOM 0 HE2 TYR A 94 3.713 -1.501 8.274 1.00 0.00 H new ATOM 0 HH TYR A 94 1.200 -3.351 9.856 1.00 0.00 H new ATOM 1404 N TRP A 95 0.182 5.159 9.036 1.00 0.00 N ATOM 1405 CA TRP A 95 0.095 6.615 9.048 1.00 0.00 C ATOM 1406 C TRP A 95 1.472 7.244 8.864 1.00 0.00 C ATOM 1407 O TRP A 95 2.155 7.561 9.837 1.00 0.00 O ATOM 1408 CB TRP A 95 -0.529 7.098 10.358 1.00 0.00 C ATOM 1409 CG TRP A 95 -2.024 7.001 10.375 1.00 0.00 C ATOM 1410 CD1 TRP A 95 -2.784 6.191 11.170 1.00 0.00 C ATOM 1411 CD2 TRP A 95 -2.941 7.738 9.559 1.00 0.00 C ATOM 1412 NE1 TRP A 95 -4.117 6.381 10.896 1.00 0.00 N ATOM 1413 CE2 TRP A 95 -4.239 7.325 9.912 1.00 0.00 C ATOM 1414 CE3 TRP A 95 -2.790 8.709 8.565 1.00 0.00 C ATOM 1415 CZ2 TRP A 95 -5.378 7.849 9.305 1.00 0.00 C ATOM 1416 CZ3 TRP A 95 -3.921 9.228 7.963 1.00 0.00 C ATOM 1417 CH2 TRP A 95 -5.201 8.797 8.336 1.00 0.00 C ATOM 0 H TRP A 95 0.418 4.743 9.937 1.00 0.00 H new ATOM 0 HA TRP A 95 -0.539 6.923 8.216 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -0.125 6.511 11.183 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -0.237 8.134 10.531 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -2.395 5.503 11.906 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -4.890 5.897 11.352 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -1.807 9.048 8.272 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -6.366 7.518 9.590 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -3.816 9.978 7.193 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -6.065 9.222 7.848 1.00 0.00 H new ATOM 1428 N GLY A 96 1.873 7.424 7.609 1.00 0.00 N ATOM 1429 CA GLY A 96 3.167 8.015 7.321 1.00 0.00 C ATOM 1430 C GLY A 96 3.507 9.151 8.263 1.00 0.00 C ATOM 1431 O GLY A 96 2.668 10.008 8.545 1.00 0.00 O ATOM 0 H GLY A 96 1.325 7.171 6.787 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.937 7.247 7.390 1.00 0.00 H new ATOM 0 HA3 GLY A 96 3.175 8.383 6.295 1.00 0.00 H new ATOM 1435 N LYS A 97 4.742 9.162 8.754 1.00 0.00 N ATOM 1436 CA LYS A 97 5.193 10.202 9.671 1.00 0.00 C ATOM 1437 C LYS A 97 6.262 11.075 9.020 1.00 0.00 C ATOM 1438 O LYS A 97 6.147 12.300 9.000 1.00 0.00 O ATOM 1439 CB LYS A 97 5.742 9.577 10.955 1.00 0.00 C ATOM 1440 CG LYS A 97 4.949 9.943 12.197 1.00 0.00 C ATOM 1441 CD LYS A 97 4.055 8.799 12.646 1.00 0.00 C ATOM 1442 CE LYS A 97 4.635 8.080 13.855 1.00 0.00 C ATOM 1443 NZ LYS A 97 4.019 8.549 15.127 1.00 0.00 N ATOM 0 H LYS A 97 5.449 8.461 8.532 1.00 0.00 H new ATOM 0 HA LYS A 97 4.337 10.830 9.918 1.00 0.00 H new ATOM 0 HB2 LYS A 97 5.751 8.492 10.846 1.00 0.00 H new ATOM 0 HB3 LYS A 97 6.777 9.892 11.089 1.00 0.00 H new ATOM 0 HG2 LYS A 97 5.634 10.208 13.002 1.00 0.00 H new ATOM 0 HG3 LYS A 97 4.340 10.824 11.994 1.00 0.00 H new ATOM 0 HD2 LYS A 97 3.065 9.184 12.891 1.00 0.00 H new ATOM 0 HD3 LYS A 97 3.928 8.091 11.827 1.00 0.00 H new ATOM 0 HE2 LYS A 97 4.478 7.007 13.749 1.00 0.00 H new ATOM 0 HE3 LYS A 97 5.712 8.242 13.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 4.441 8.035 15.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 4.191 9.568 15.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 2.995 8.371 15.103 1.00 0.00 H new ATOM 1457 N GLU A 98 7.300 10.435 8.490 1.00 0.00 N ATOM 1458 CA GLU A 98 8.388 11.154 7.839 1.00 0.00 C ATOM 1459 C GLU A 98 9.316 11.787 8.871 1.00 0.00 C ATOM 1460 O GLU A 98 8.885 12.586 9.702 1.00 0.00 O ATOM 1461 CB GLU A 98 7.831 12.234 6.908 1.00 0.00 C ATOM 1462 CG GLU A 98 8.513 12.277 5.551 1.00 0.00 C ATOM 1463 CD GLU A 98 7.724 13.072 4.528 1.00 0.00 C ATOM 1464 OE1 GLU A 98 6.513 12.808 4.376 1.00 0.00 O ATOM 1465 OE2 GLU A 98 8.319 13.958 3.879 1.00 0.00 O ATOM 0 H GLU A 98 7.410 9.421 8.499 1.00 0.00 H new ATOM 0 HA GLU A 98 8.961 10.438 7.251 1.00 0.00 H new ATOM 0 HB2 GLU A 98 6.764 12.063 6.764 1.00 0.00 H new ATOM 0 HB3 GLU A 98 7.936 13.206 7.389 1.00 0.00 H new ATOM 0 HG2 GLU A 98 9.505 12.716 5.660 1.00 0.00 H new ATOM 0 HG3 GLU A 98 8.653 11.259 5.186 1.00 0.00 H new ATOM 1472 N SER A 99 10.594 11.424 8.812 1.00 0.00 N ATOM 1473 CA SER A 99 11.583 11.951 9.744 1.00 0.00 C ATOM 1474 C SER A 99 11.479 13.470 9.843 1.00 0.00 C ATOM 1475 O SER A 99 11.207 14.032 10.904 1.00 0.00 O ATOM 1476 CB SER A 99 12.993 11.553 9.304 1.00 0.00 C ATOM 1477 OG SER A 99 13.570 10.632 10.214 1.00 0.00 O ATOM 0 H SER A 99 10.968 10.767 8.128 1.00 0.00 H new ATOM 0 HA SER A 99 11.383 11.525 10.727 1.00 0.00 H new ATOM 0 HB2 SER A 99 12.955 11.111 8.309 1.00 0.00 H new ATOM 0 HB3 SER A 99 13.620 12.442 9.234 1.00 0.00 H new ATOM 0 HG SER A 99 14.470 10.392 9.910 1.00 0.00 H new ATOM 1483 N PRO A 100 11.702 14.153 8.710 1.00 0.00 N ATOM 1484 CA PRO A 100 11.639 15.616 8.642 1.00 0.00 C ATOM 1485 C PRO A 100 10.217 16.143 8.795 1.00 0.00 C ATOM 1486 O PRO A 100 9.276 15.594 8.220 1.00 0.00 O ATOM 1487 CB PRO A 100 12.177 15.929 7.243 1.00 0.00 C ATOM 1488 CG PRO A 100 11.904 14.699 6.448 1.00 0.00 C ATOM 1489 CD PRO A 100 12.032 13.549 7.408 1.00 0.00 C ATOM 0 HA PRO A 100 12.204 16.086 9.447 1.00 0.00 H new ATOM 0 HB2 PRO A 100 11.679 16.797 6.812 1.00 0.00 H new ATOM 0 HB3 PRO A 100 13.243 16.154 7.270 1.00 0.00 H new ATOM 0 HG2 PRO A 100 10.907 14.732 6.009 1.00 0.00 H new ATOM 0 HG3 PRO A 100 12.612 14.601 5.625 1.00 0.00 H new ATOM 0 HD2 PRO A 100 11.349 12.738 7.157 1.00 0.00 H new ATOM 0 HD3 PRO A 100 13.039 13.131 7.402 1.00 0.00 H new ATOM 1497 N ASP A 101 10.066 17.208 9.573 1.00 0.00 N ATOM 1498 CA ASP A 101 8.758 17.810 9.801 1.00 0.00 C ATOM 1499 C ASP A 101 8.352 18.689 8.622 1.00 0.00 C ATOM 1500 O ASP A 101 7.217 18.625 8.150 1.00 0.00 O ATOM 1501 CB ASP A 101 8.770 18.637 11.088 1.00 0.00 C ATOM 1502 CG ASP A 101 7.867 18.055 12.158 1.00 0.00 C ATOM 1503 OD1 ASP A 101 8.259 17.045 12.780 1.00 0.00 O ATOM 1504 OD2 ASP A 101 6.770 18.610 12.374 1.00 0.00 O ATOM 0 H ASP A 101 10.834 17.673 10.057 1.00 0.00 H new ATOM 0 HA ASP A 101 8.028 17.006 9.901 1.00 0.00 H new ATOM 0 HB2 ASP A 101 9.789 18.696 11.469 1.00 0.00 H new ATOM 0 HB3 ASP A 101 8.454 19.656 10.865 1.00 0.00 H new ATOM 1509 N MET A 102 9.285 19.509 8.151 1.00 0.00 N ATOM 1510 CA MET A 102 9.024 20.400 7.027 1.00 0.00 C ATOM 1511 C MET A 102 10.308 21.079 6.561 1.00 0.00 C ATOM 1512 O MET A 102 11.291 21.146 7.300 1.00 0.00 O ATOM 1513 CB MET A 102 7.987 21.456 7.416 1.00 0.00 C ATOM 1514 CG MET A 102 6.675 21.327 6.657 1.00 0.00 C ATOM 1515 SD MET A 102 5.645 22.800 6.798 1.00 0.00 S ATOM 1516 CE MET A 102 6.322 23.814 5.486 1.00 0.00 C ATOM 0 H MET A 102 10.229 19.575 8.531 1.00 0.00 H new ATOM 0 HA MET A 102 8.632 19.801 6.205 1.00 0.00 H new ATOM 0 HB2 MET A 102 7.788 21.382 8.485 1.00 0.00 H new ATOM 0 HB3 MET A 102 8.405 22.447 7.238 1.00 0.00 H new ATOM 0 HG2 MET A 102 6.886 21.135 5.605 1.00 0.00 H new ATOM 0 HG3 MET A 102 6.124 20.465 7.035 1.00 0.00 H new ATOM 0 HE1 MET A 102 5.787 24.763 5.446 1.00 0.00 H new ATOM 0 HE2 MET A 102 7.378 24.001 5.679 1.00 0.00 H new ATOM 0 HE3 MET A 102 6.213 23.296 4.533 1.00 0.00 H new ATOM 1526 N THR A 103 10.293 21.584 5.331 1.00 0.00 N ATOM 1527 CA THR A 103 11.456 22.256 4.767 1.00 0.00 C ATOM 1528 C THR A 103 11.745 23.562 5.499 1.00 0.00 C ATOM 1529 O THR A 103 10.954 24.504 5.443 1.00 0.00 O ATOM 1530 CB THR A 103 11.261 22.554 3.268 1.00 0.00 C ATOM 1531 OG1 THR A 103 10.048 23.288 3.068 1.00 0.00 O ATOM 1532 CG2 THR A 103 11.218 21.265 2.462 1.00 0.00 C ATOM 0 H THR A 103 9.488 21.540 4.707 1.00 0.00 H new ATOM 0 HA THR A 103 12.302 21.579 4.889 1.00 0.00 H new ATOM 0 HB THR A 103 12.107 23.151 2.926 1.00 0.00 H new ATOM 0 HG1 THR A 103 9.969 23.983 3.755 1.00 0.00 H new ATOM 0 HG21 THR A 103 11.080 21.500 1.407 1.00 0.00 H new ATOM 0 HG22 THR A 103 12.154 20.722 2.593 1.00 0.00 H new ATOM 0 HG23 THR A 103 10.389 20.647 2.808 1.00 0.00 H new ATOM 1540 N SER A 104 12.883 23.612 6.184 1.00 0.00 N ATOM 1541 CA SER A 104 13.275 24.802 6.930 1.00 0.00 C ATOM 1542 C SER A 104 12.561 24.857 8.277 1.00 0.00 C ATOM 1543 O SER A 104 13.197 24.870 9.330 1.00 0.00 O ATOM 1544 CB SER A 104 12.963 26.062 6.120 1.00 0.00 C ATOM 1545 OG SER A 104 13.985 27.031 6.272 1.00 0.00 O ATOM 0 H SER A 104 13.550 22.842 6.238 1.00 0.00 H new ATOM 0 HA SER A 104 14.349 24.752 7.110 1.00 0.00 H new ATOM 0 HB2 SER A 104 12.856 25.804 5.066 1.00 0.00 H new ATOM 0 HB3 SER A 104 12.010 26.480 6.444 1.00 0.00 H new ATOM 0 HG SER A 104 13.763 27.826 5.743 1.00 0.00 H new ATOM 1551 N GLY A 105 11.232 24.892 8.235 1.00 0.00 N ATOM 1552 CA GLY A 105 10.452 24.947 9.457 1.00 0.00 C ATOM 1553 C GLY A 105 10.183 26.368 9.910 1.00 0.00 C ATOM 1554 O GLY A 105 10.884 27.306 9.531 1.00 0.00 O ATOM 0 H GLY A 105 10.682 24.883 7.376 1.00 0.00 H new ATOM 0 HA2 GLY A 105 9.504 24.433 9.302 1.00 0.00 H new ATOM 0 HA3 GLY A 105 10.980 24.411 10.246 1.00 0.00 H new ATOM 1558 N PRO A 106 9.146 26.542 10.741 1.00 0.00 N ATOM 1559 CA PRO A 106 8.762 27.857 11.263 1.00 0.00 C ATOM 1560 C PRO A 106 9.777 28.404 12.261 1.00 0.00 C ATOM 1561 O PRO A 106 9.671 29.546 12.706 1.00 0.00 O ATOM 1562 CB PRO A 106 7.424 27.587 11.956 1.00 0.00 C ATOM 1563 CG PRO A 106 7.470 26.142 12.318 1.00 0.00 C ATOM 1564 CD PRO A 106 8.266 25.470 11.235 1.00 0.00 C ATOM 0 HA PRO A 106 8.706 28.607 10.474 1.00 0.00 H new ATOM 0 HB2 PRO A 106 7.303 28.213 12.840 1.00 0.00 H new ATOM 0 HB3 PRO A 106 6.585 27.803 11.295 1.00 0.00 H new ATOM 0 HG2 PRO A 106 7.937 25.998 13.292 1.00 0.00 H new ATOM 0 HG3 PRO A 106 6.466 25.723 12.381 1.00 0.00 H new ATOM 0 HD2 PRO A 106 8.838 24.627 11.622 1.00 0.00 H new ATOM 0 HD3 PRO A 106 7.622 25.083 10.445 1.00 0.00 H new ATOM 1572 N SER A 107 10.761 27.580 12.608 1.00 0.00 N ATOM 1573 CA SER A 107 11.795 27.980 13.556 1.00 0.00 C ATOM 1574 C SER A 107 11.179 28.378 14.894 1.00 0.00 C ATOM 1575 O SER A 107 11.076 29.562 15.214 1.00 0.00 O ATOM 1576 CB SER A 107 12.611 29.144 12.990 1.00 0.00 C ATOM 1577 OG SER A 107 13.356 28.741 11.855 1.00 0.00 O ATOM 0 H SER A 107 10.864 26.632 12.247 1.00 0.00 H new ATOM 0 HA SER A 107 12.455 27.128 13.719 1.00 0.00 H new ATOM 0 HB2 SER A 107 11.944 29.962 12.719 1.00 0.00 H new ATOM 0 HB3 SER A 107 13.287 29.525 13.756 1.00 0.00 H new ATOM 0 HG SER A 107 13.867 29.503 11.512 1.00 0.00 H new ATOM 1583 N SER A 108 10.774 27.380 15.672 1.00 0.00 N ATOM 1584 CA SER A 108 10.165 27.624 16.975 1.00 0.00 C ATOM 1585 C SER A 108 10.107 26.340 17.796 1.00 0.00 C ATOM 1586 O SER A 108 9.356 25.420 17.478 1.00 0.00 O ATOM 1587 CB SER A 108 8.757 28.198 16.803 1.00 0.00 C ATOM 1588 OG SER A 108 7.940 27.325 16.043 1.00 0.00 O ATOM 0 H SER A 108 10.856 26.394 15.423 1.00 0.00 H new ATOM 0 HA SER A 108 10.782 28.347 17.508 1.00 0.00 H new ATOM 0 HB2 SER A 108 8.306 28.363 17.782 1.00 0.00 H new ATOM 0 HB3 SER A 108 8.814 29.169 16.310 1.00 0.00 H new ATOM 0 HG SER A 108 8.160 26.396 16.263 1.00 0.00 H new ATOM 1594 N GLY A 109 10.907 26.287 18.857 1.00 0.00 N ATOM 1595 CA GLY A 109 10.933 25.113 19.709 1.00 0.00 C ATOM 1596 C GLY A 109 10.805 23.824 18.922 1.00 0.00 C ATOM 1597 O GLY A 109 11.317 23.715 17.808 1.00 0.00 O ATOM 0 H GLY A 109 11.538 27.037 19.141 1.00 0.00 H new ATOM 0 HA2 GLY A 109 11.865 25.099 20.275 1.00 0.00 H new ATOM 0 HA3 GLY A 109 10.121 25.175 20.433 1.00 0.00 H new TER 1601 GLY A 109